A0A087XD32_POEFO Loading...

Sulfide:quinone oxidoreductase, mitochondrial

Catalyzes the oxidation of hydrogen sulfide with the help of a quinone, such as ubiquinone-10, giving rise to thiosulfate and ultimately to sulfane (molecular sulfur) atoms. Requires an additional electron acceptor; can use sulfite, sulfide or cyanide (in vitro). It is believed the in vivo electron acceptor is glutathione.

AlphaFold DB , UniProt , Accession A0A087XD32, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 509 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.2	Very low	27.1	Very low	232 Å²	232	143.3 Å²	143.3	100%	1.143	84%	0.836	S	S	*	*				0	91.4	0	-100.2	169.3	167.5	0	0	107.1
2	L	25.7	Very low	27.1	Very low	156 Å²	156	141.8 Å²	141.8	82%	0.817	84%	0.84	S	S	*	*				75.2	101	101.4	-101	100.6	0	0	0	111.8
3	V	24.1	Very low	27.2	Very low	112 Å²	112	137.7 Å²	137.7	68%	0.679	83%	0.831	S	S	*	*				87.8	103.7	79.5	160.7	0	0	0	0	109.6
4	L	26	Very low	27.1	Very low	153 Å²	153	146.1 Å²	146.1	80%	0.801	84%	0.841	S	S	*	*				77.3	130	95.7	-75	165.4	0	0	0	114.9
5	S	26.1	Very low	27.1	Very low	109 Å²	109	146.5 Å²	146.5	76%	0.762	84%	0.838	S	S	*	*				-176.5	110.1	122.2	-146.9	0	0	0	0	109.6
6	V	29.9	Very low	27.2	Very low	134 Å²	134	146.4 Å²	146.4	81%	0.812	83%	0.832	S	S	*	*				75.5	132.3	89.3	-178.7	0	0	0	0	112.2
7	G	25.2	Very low	27.5	Very low	73 Å²	73	144.8 Å²	144.8	75%	0.753	83%	0.828	S	S	*	*			cis	-160.2	-179.1	29.4	0	0	0	0	0	118
8	R	27.7	Very low	27.6	Very low	240 Å²	240	150.3 Å²	150.3	91%	0.906	83%	0.833	S	S	*	*			trans	-96.7	160.7	-174	-73.6	174.3	172	-173.2	-1.8	111.7
9	E	26.5	Very low	27.6	Very low	185 Å²	185	155.4 Å²	155.4	86%	0.864	84%	0.838	S	S	*	*				167.6	116.4	122	-91.6	-179.5	178.5	0	0	108.1
10	A	28.5	Very low	27.7	Very low	105 Å²	105	154.6 Å²	154.6	87%	0.868	84%	0.839	S	S	*	*				70.5	115.9	71	0	0	0	0	0	115
11	G	26.1	Very low	27.7	Very low	77 Å²	77	155.6 Å²	155.6	79%	0.794	84%	0.843	S	S	*	*			trans	139.1	108.2	146.4	0	0	0	0	0	119.8
12	S	26.6	Very low	27.4	Very low	126 Å²	126	156 Å²	156	88%	0.881	83%	0.832	S	S	*	*			trans	91.5	130.3	135	-160.6	0	0	0	0	121.6
13	A	28.8	Very low	27.3	Very low	88 Å²	88	154.8 Å²	154.8	73%	0.727	84%	0.835	S	S	*	*			trans	-85.6	151.3	177.3	0	0	0	0	0	112.6
14	R	26.3	Very low	27.4	Very low	256 Å²	256	160.9 Å²	160.9	97%	0.966	85%	0.846	S	S	*	*			trans	-155	151.7	151.7	-110.5	179.6	-124.4	-147.5	3.3	112.1
15	L	27.5	Very low	27.3	Very low	152 Å²	152	158.3 Å²	158.3	80%	0.796	85%	0.847	S	S	*	*			trans	-91.2	151.6	-162.5	-88.5	146.6	0	0	0	115.1
16	I	27.7	Very low	27.3	Very low	145 Å²	145	160.4 Å²	160.4	74%	0.744	85%	0.848	S	S	*	*			trans	75.1	147.1	144	-66.6	166.5	0	0	0	117.4
17	P	33.2	Very low	27.3	Very low	118 Å²	118	159.1 Å²	159.1	77%	0.766	84%	0.842	S	S	*	*			cis	-132.5	165.4	18.6	18.4	7.9	0	0	0	119.3
18	R	28.6	Very low	27.3	Very low	245 Å²	245	163.4 Å²	163.4	93%	0.925	85%	0.848	S	S	*	*			trans	-56.9	135.1	162.9	-70.3	174.9	171.2	-178.9	-2.6	112.7
19	R	27.8	Very low	27.2	Very low	246 Å²	246	160.4 Å²	160.4	93%	0.928	84%	0.841	S	S	*	*			trans	-141.3	129.4	146.1	-90.1	-172.7	177.1	178	-0.4	111.6
20	T	29.2	Very low	27.1	Very low	139 Å²	139	161.3 Å²	161.3	85%	0.853	84%	0.843	S	S	*	*			trans	-55.9	139.3	172.1	38	0	0	0	0	113.6
21	L	28.9	Very low	27	Very low	176 Å²	176	164.3 Å²	164.3	92%	0.921	84%	0.839	S	S	*	*			trans	-128.7	122.6	161.9	-103.6	128.9	0	0	0	111.1
22	R	25.5	Very low	27.1	Very low	240 Å²	240	169.3 Å²	169.3	91%	0.906	85%	0.846	S	S	*	*			trans	-74.5	145.9	-178.2	-75.6	175.2	170.3	-177.9	-3.8	111.5
23	C	24.2	Very low	27.1	Very low	132 Å²	132	166.7 Å²	166.7	89%	0.892	84%	0.839	S	S	*	*			trans	-56.8	135.8	161	-66	0	0	0	0	111.5
24	R	25.1	Very low	27.1	Very low	239 Å²	239	168.8 Å²	168.8	90%	0.902	84%	0.842	S	S	*	*			trans	-121.5	116.6	160.5	-85.1	-174.5	173.5	-178.9	-1.8	108.6
25	A	24.9	Very low	27.1	Very low	100 Å²	100	164.5 Å²	164.5	83%	0.826	84%	0.839	S	S	*	*			trans	-91.5	137.2	164	0	0	0	0	0	108.3
26	I	24.9	Very low	27.1	Very low	152 Å²	152	168 Å²	168	78%	0.779	84%	0.841	S	S	*	*			trans	-105	122	176	-61.6	171	0	0	0	107.1
27	P	31.1	Very low	27.1	Very low	107 Å²	107	170.3 Å²	170.3	70%	0.695	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-97.3	133.3	169.8	33.5	-24.8	0	0	0	110.5
28	L	24.4	Very low	26.9	Very low	164 Å²	164	171.9 Å²	171.9	86%	0.859	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-103.5	116.8	164.3	-126.7	88.9	0	0	0	108.5
29	F	25.4	Very low	26.8	Very low	176 Å²	176	168.2 Å²	168.2	77%	0.772	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-91.2	136.5	164.7	-98.4	-93	0	0	0	108.7
30	F	24.4	Very low	26.9	Very low	204 Å²	204	163.8 Å²	163.8	90%	0.895	84%	0.839	S	S	*	*			trans	-142.6	134.6	143.5	-114.3	-83.5	0	0	0	110.6
31	H	26.9	Very low	27	Very low	169 Å²	169	162.8 Å²	162.8	78%	0.782	83%	0.832	S	S	*	*			trans	-80.7	152	-177.8	-118.9	0.6	0	0	0	111.7
32	L	28	Very low	27.2	Very low	181 Å²	181	162.9 Å²	162.9	95%	0.948	83%	0.828	S	S	*	*			trans	168.2	125.5	142.1	-87.5	161.7	0	0	0	104
33	G	26.2	Very low	27.3	Very low	72 Å²	72	157.3 Å²	157.3	74%	0.742	83%	0.825	S	S	*	*			cis	142.8	114	40.6	0	0	0	0	0	104.5
34	V	29.3	Very low	27.6	Very low	131 Å²	131	156.7 Å²	156.7	79%	0.794	82%	0.823	S	S	*	*			trans	-48.8	139.7	-168.8	172.6	0	0	0	0	115.9
35	N	25.5	Very low	27.9	Very low	166 Å²	166	155 Å²	155	89%	0.888	82%	0.822	S	S	*	*				-154.8	113.7	124.1	-127.4	-25	0	0	0	112.9
36	R	27.3	Very low	28.1	Very low	226 Å²	226	159.8 Å²	159.8	85%	0.853	83%	0.825	S	S	*	*			trans	-98.3	128.6	171.9	-82	-174.6	-180	-163.1	1.1	108.4
37	K	28.8	Very low	28.4	Very low	193 Å²	193	161 Å²	161	84%	0.839	83%	0.832	S	S	*	*			trans	-170.5	126.5	134.8	-101.2	165.5	-170.1	-173.2	0	109.7
38	N	28.9	Very low	28.3	Very low	151 Å²	151	163.8 Å²	163.8	81%	0.807	84%	0.84	S	S	*	*			trans	70.3	116.5	171.8	-52.7	-18.4	0	0	0	113.9
39	L	25.7	Very low	28.8	Very low	169 Å²	169	165.6 Å²	165.6	89%	0.885	84%	0.841	S	S	*	*				-160.9	137.8	52	-148.5	75.9	0	0	0	109.7
40	I	30.6	Very low	29.1	Very low	153 Å²	153	163.6 Å²	163.6	79%	0.785	85%	0.848	S	S	*	*			trans	-74.7	159	169.5	-68.3	167.5	0	0	0	108.8
41	V	31.4	Very low	29.4	Very low	117 Å²	117	162.9 Å²	162.9	71%	0.709	85%	0.847	S	S	*	*			trans	93.1	83	169.8	-153.6	0	0	0	0	115.7
42	H	32.1	Very low	29.6	Very low	179 Å²	179	161.9 Å²	161.9	83%	0.829	85%	0.848	S	S	*	*				172.7	97	126.4	-98.1	57.2	0	0	0	109.9
43	S	27.3	Very low	29.6	Very low	122 Å²	122	165 Å²	165	85%	0.853	85%	0.847	S	S	*	*			trans	-162.1	85.1	160	-86.8	0	0	0	0	109.5
44	S	31.3	Very low	29.7	Very low	119 Å²	119	173.4 Å²	173.4	83%	0.832	86%	0.856	S	S	*	*			trans	-154.6	69	164.3	-72.5	0	0	0	0	108.5
45	F	31	Very low	29.8	Very low	205 Å²	205	175.3 Å²	175.3	90%	0.899	86%	0.857	S	S	*	*	S	Bend	trans	-144.7	8.4	166.3	-120.1	-85.2	0	0	0	114.5
46	F	30.5	Very low	30.1	Very low	200 Å²	200	177.4 Å²	177.4	88%	0.877	86%	0.858	S	S	*	*	S	Bend	trans	-117.6	6.2	-174.6	-124.6	-94.3	0	0	0	115.3
47	L	29.4	Very low	30.2	Very low	176 Å²	176	176 Å²	176	92%	0.921	86%	0.861	S	S	*	*	S	Bend	trans	-126.1	27.9	-176.2	-89.4	163.3	0	0	0	114.7
48	L	29	Very low	30.3	Very low	167 Å²	167	171.4 Å²	171.4	87%	0.874	86%	0.859	S	S	*	*	S	Bend	trans	-122.2	19.7	172.9	-114.2	114.8	0	0	0	114
49	F	35	Very low	30.4	Very low	201 Å²	201	170.3 Å²	170.3	88%	0.882	86%	0.857	S	S	*	*	S	Bend	trans	-108.4	-0.4	-174	-122.9	-92.4	0	0	0	115.4
50	C	32.9	Very low	30.5	Very low	135 Å²	135	170.3 Å²	170.3	91%	0.912	86%	0.858	S	S	*	*	S	Bend	trans	-110.7	9.8	-178.3	-87.4	0	0	0	0	116
51	Q	29.4	Very low	30.3	Very low	189 Å²	189	170.3 Å²	170.3	88%	0.883	86%	0.86	S	S	*	*	S	Bend	trans	-118.5	-4	-178.9	-93	-177.2	-21.5	0	0	116.5
52	N	31.8	Very low	30.1	Very low	148 Å²	148	169.9 Å²	169.9	79%	0.791	86%	0.862	S	S	*	*	S	Bend	trans	-110.5	17.1	-173.5	-121.9	-5.5	0	0	0	115.7
53	W	28.1	Very low	29.7	Very low	245 Å²	245	167.7 Å²	167.7	93%	0.928	87%	0.865	S	S	*	*	S	Bend	trans	-110.4	13.4	-176.9	-134.7	70.9	0	0	0	114.7
54	R	28.8	Very low	29.7	Very low	249 Å²	249	166.5 Å²	166.5	94%	0.94	86%	0.857	S	S	*	*	S	Bend	trans	-126.7	31.9	178	-87	-167.4	-176.8	-131.4	3.2	114.4
55	Q	30.5	Very low	29.6	Very low	171 Å²	171	165.3 Å²	165.3	80%	0.799	85%	0.849	S	S	*	*	S	Bend	trans	-146.9	31.9	-179.3	-122.1	-178.7	11.7	0	0	116.3
56	K	32.2	Very low	29.4	Very low	211 Å²	211	166.8 Å²	166.8	92%	0.917	85%	0.848	S	S	*	*			trans	-140.3	62.5	167	-82.6	-169.4	176	179.1	0	112.5
57	Q	29.6	Very low	29.3	Very low	197 Å²	197	163.9 Å²	163.9	92%	0.921	85%	0.847	S	S	*	*			trans	-147.5	93.5	153.9	-84.7	-166.4	-9.1	0	0	107.4
58	A	30.6	Very low	29.2	Very low	95 Å²	95	166.6 Å²	166.6	79%	0.785	85%	0.845	S	S	*	*			trans	169.2	66.6	157.6	0	0	0	0	0	110.3
59	V	31.3	Very low	29.2	Very low	128 Å²	128	165.8 Å²	165.8	78%	0.776	84%	0.84	S	S	*	*			trans	-151.8	94.5	153.1	-173.3	0	0	0	0	107
60	N	26.7	Very low	28.8	Very low	169 Å²	169	167.9 Å²	167.9	90%	0.904	84%	0.842	S	S	*	*			trans	-143.8	97.6	156.3	-111.8	-0.1	0	0	0	106.3
61	N	27.9	Very low	28.4	Very low	153 Å²	153	170.1 Å²	170.1	82%	0.818	84%	0.842	S	S	*	*			trans	-73.5	130.8	177.6	-88	-13.5	0	0	0	110.1
62	S	26	Very low	28.4	Very low	109 Å²	109	165.6 Å²	165.6	76%	0.762	84%	0.837	S	S	*	*			trans	-51.4	139.3	154.3	52.1	0	0	0	0	112.2
63	C	24.8	Very low	28.1	Very low	132 Å²	132	163.8 Å²	163.8	89%	0.892	84%	0.836	S	S	*	*			trans	-152.2	130	139.1	-148.4	0	0	0	0	111.1
64	S	27.2	Very low	28.1	Very low	98 Å²	98	156.9 Å²	156.9	69%	0.685	82%	0.824	S	S	*	*			trans	-85.8	137.9	-173.8	55.6	0	0	0	0	111.6
65	S	27.9	Very low	28.2	Very low	94 Å²	94	153.1 Å²	153.1	66%	0.657	82%	0.822	S	S	*	*				83.8	125.2	105.9	74.1	0	0	0	0	118.7
66	R	28.2	Very low	28.2	Very low	236 Å²	236	155.9 Å²	155.9	89%	0.891	83%	0.825	S	S	*	*			trans	66.6	127.9	144.1	-64.1	175.9	-176.7	-155.5	0.8	116.8
67	T	27.2	Very low	28.1	Very low	139 Å²	139	157.7 Å²	157.7	85%	0.853	83%	0.826	S	S	*	*				-165.1	141.4	84	-63.1	0	0	0	0	111.6
68	R	28.2	Very low	28.2	Very low	232 Å²	232	155.8 Å²	155.8	88%	0.875	82%	0.822	S	S	*	*			trans	-89.2	173	170.9	-80.9	-177.1	176	-170.4	-1	110.7
69	I	29.2	Very low	28.1	Very low	151 Å²	151	161.6 Å²	161.6	77%	0.774	82%	0.823	S	S	*	*			trans	119.4	128.7	163	-65.6	161.6	0	0	0	109.2
70	R	25.8	Very low	28.1	Very low	244 Å²	244	162.8 Å²	162.8	92%	0.921	82%	0.824	S	S	*	*			cis	-157.4	168.6	16.1	-130.2	160.6	-170	-175.1	0.5	111
71	M	25.5	Very low	28.3	Very low	183 Å²	183	163.8 Å²	163.8	90%	0.901	82%	0.817	S	S	*	*			trans	-89.2	168.7	-176	-118.2	174	167.7	0	0	114.7
72	A	28.1	Very low	28.6	Very low	94 Å²	94	165.3 Å²	165.3	78%	0.777	82%	0.819	S	S	*	*			trans	78.1	145.2	151.3	0	0	0	0	0	117.2
73	S	27.3	Very low	28.9	Very low	110 Å²	110	164.8 Å²	164.8	77%	0.769	82%	0.815	S	S	*	*			cis	-166.6	159	10.2	32.8	0	0	0	0	110.8
74	S	28.3	Very low	29.8	Very low	99 Å²	99	165.7 Å²	165.7	69%	0.692	82%	0.817	S	S	*	*			trans	-23	147.8	164.2	53.7	0	0	0	0	120.8
75	L	29.5	Very low	30	Very low	170 Å²	170	164.4 Å²	164.4	89%	0.89	82%	0.819	S	S	*	*				-175.6	146.5	114.5	-97	158.7	0	0	0	113.3
76	R	30.3	Very low	30.7	Very low	230 Å²	230	166.2 Å²	166.2	87%	0.868	83%	0.826	S	S	*	*			trans	-67.4	150.1	178.5	-67.1	170.8	169.1	-159.6	-3.9	112.8
77	R	30.3	Very low	31	Very low	248 Å²	248	159.6 Å²	159.6	94%	0.936	82%	0.822	S	S	*	*				-176	137.9	121.8	-103.8	172.4	-164.4	-119.9	3.6	112.3
78	L	31.6	Very low	31.7	Very low	158 Å²	158	158.7 Å²	158.7	83%	0.827	81%	0.81	S	S	*	*			trans	-58.6	140.3	168.3	-80.2	88.2	0	0	0	111.1
79	R	29.3	Very low	32.1	Very low	216 Å²	216	152.5 Å²	152.5	82%	0.815	80%	0.803	S	S	*	*			trans	-148.2	113.1	143.5	-107	178.2	-173.3	-166.8	1.2	109.2
80	L	31.6	Very low	32.6	Very low	153 Å²	153	152.4 Å²	152.4	80%	0.801	80%	0.799	S	S	*	*			trans	-62.6	125.4	159.4	-83.9	140.5	0	0	0	108.2
81	Y	31	Very low	33.2	Very low	190 Å²	190	147.7 Å²	147.7	75%	0.745	79%	0.791	S	S	*	*			trans	-139	117.9	158.9	-100.7	-88.3	0	0	0	108.2
82	H	33.9	Very low	33.8	Very low	185 Å²	185	147 Å²	147	86%	0.856	79%	0.785	S	S	*	*			trans	-70.8	124.8	160.6	-94.9	40.2	0	0	0	108.4
83	S	32.3	Very low	34.3	Very low	99 Å²	99	148.3 Å²	148.3	69%	0.692	78%	0.784	S	S	*	*			trans	-152.5	107.3	157.4	62.1	0	0	0	0	109.3	G85	S83-G85 PolarHBondContact O-N 3.38Å
84	T	42.9	Very low	35	Very low	150 Å²	150	147.5 Å²	147.5	92%	0.92	78%	0.778	S	S	*	*			trans	5.4	104.5	149.3	49.6	0	0	0	0	115.8
85	G	32.3	Very low	35.6	Very low	71 Å²	71	148 Å²	148	73%	0.732	78%	0.782	S	S	*	*			trans	-117.1	115.5	169.9	0	0	0	0	0	110	S83 A87	S83-G85 PolarHBondContact O-N 3.38Å; G85-A87 PolarHBondContact O-N 3.12Å
86	V	42.1	Very low	36.4	Very low	132 Å²	132	149.8 Å²	149.8	80%	0.8	78%	0.776	S	S	*	*			trans	-47.9	115.1	169.8	172.8	0	0	0	0	109.8	I88	V86-I88 HydrophobicContact CG1-CG1 4.12Å; V86-I88 PolarHBondContact O-N 3.14Å; V86-I88 VanDerWaalsContact O-N 3.14Å
87	A	33.8	Very low	37	Very low	98 Å²	98	143 Å²	143	81%	0.81	77%	0.769	S	S	*	*			trans	-80.6	93.4	166.3	0	0	0	0	0	107.9	G85 S89	G85-A87 PolarHBondContact O-N 3.12Å; A87-S89 PolarHBondContact O-N 3.21Å; A87-S89 VanDerWaalsContact O-N 3.12Å
88	I	42.1	Very low	37.9	Very low	119 Å²	119	136.3 Å²	136.3	61%	0.61	76%	0.761	S	S	*	*			trans	-54.6	113	162.8	-63.7	169.1	0	0	0	106.2	V86 H90	V86-I88 HydrophobicContact CG1-CG1 4.12Å; V86-I88 PolarHBondContact O-N 3.14Å; V86-I88 VanDerWaalsContact O-N 3.14Å; I88-H90 VanDerWaalsContact C-N 3.29Å; I88-H90 PolarHBondContact O-N 2.86Å
89	S	37.3	Very low	39.3	Very low	103 Å²	103	131.4 Å²	131.4	72%	0.72	74%	0.743	S	S	*	*			trans	-60.8	96.4	166.7	26.7	0	0	0	0	107.7	A87 L91	A87-S89 PolarHBondContact O-N 3.21Å; A87-S89 VanDerWaalsContact O-N 3.12Å; S89-L91 PolarHBondContact O-N 2.82Å
90	H	39.6	Very low	41.3	Very low	149 Å²	149	125.9 Å²	125.9	69%	0.69	73%	0.725	S	S	*	*			trans	-66	86.4	162.5	-72.4	-67.6	0	0	0	107.2	I88 H92	I88-H90 VanDerWaalsContact C-N 3.29Å; I88-H90 PolarHBondContact O-N 2.86Å; H90-H92 PolarHBondContact O-N 2.85Å
91	L	38.5	Very low	44	Very low	145 Å²	145	124.2 Å²	124.2	76%	0.759	71%	0.713	S	S	*	*			trans	-60.3	93.3	156	-79.1	163.2	0	0	0	105.9	S89 T93	S89-L91 PolarHBondContact O-N 2.82Å; L91-T93 HydrophobicContact CB-CG2 4.48Å; L91-T93 PolarHBondContact O-N 3.01Å
92	H	37.1	Very low	47.2	Very low	167 Å²	167	118.8 Å²	118.8	77%	0.773	69%	0.694	S	S	*	*			trans	-65.8	77.5	161.2	-81.3	-73.5	0	0	0	107.6	H90 S94	H90-H92 PolarHBondContact O-N 2.85Å; H92-S94 PolarHBondContact O-N 2.86Å
93	T	38.7	Very low	50.2	Low	123 Å²	123	110.5 Å²	110.5	76%	0.755	66%	0.656	S	S	*	*			trans	-72.6	71.9	158	55.5	0	0	0	0	107	L91 S95	L91-T93 HydrophobicContact CB-CG2 4.48Å; L91-T93 PolarHBondContact O-N 3.01Å; T93-S95 PolarHBondContact O-N 2.8Å
94	S	43.7	Very low	53.4	Low	93 Å²	93	108.9 Å²	108.9	65%	0.65	64%	0.636	S	S	*	*			trans	-65.9	101.1	151.2	58.6	0	0	0	0	104.6	H92 R96	H92-S94 PolarHBondContact O-N 2.86Å; S94-R96 PolarHBondContact O-N 2.79Å
95	S	39.1	Very low	56	Low	109 Å²	109	101.7 Å²	101.7	76%	0.762	59%	0.592	S	S	*	*			trans	-61.4	85.5	160.2	59.2	0	0	0	0	105.9	T93 A97	T93-S95 PolarHBondContact O-N 2.8Å; S95-A97 PolarHBondContact O-N 2.74Å
96	R	46.3	Very low	59.2	Low	207 Å²	207	98.3 Å²	98.3	78%	0.781	56%	0.557	S	S	*	*			trans	-59.5	89.7	152.5	-89.4	-179.9	172.7	175.1	-5.1	103.5	S94 S98	S94-R96 PolarHBondContact O-N 2.79Å; R96-S98 PolarHBondContact O-N 2.89Å
97	A	44	Very low	61.9	Low	87 Å²	87	92 Å²	92	72%	0.719	52%	0.519	S	S	*	.			trans	-47.2	112.7	162.9	0	0	0	0	0	104.5	S95 A99	S95-A97 PolarHBondContact O-N 2.74Å; A97-A99 VanDerWaalsContact C-N 3.28Å; A97-A99 PolarHBondContact O-N 3.23Å
98	S	49.6	Very low	65	Low	108 Å²	108	87.4 Å²	87.4	76%	0.755	48%	0.481	S	S	*	.			trans	-55.1	99.1	-174.6	179.8	0	0	0	0	106.8	R96 K100	R96-S98 PolarHBondContact O-N 2.89Å; S98-K100 PolarHBondContact O-N 2.72Å
99	A	61	Low	67.7	Low	55 Å²	55	81.9 Å²	81.9	46%	0.455	45%	0.454	S	S	.	.			trans	-63.3	127.5	178.9	0	0	0	0	0	104.8	A97 Q101	A97-A99 VanDerWaalsContact C-N 3.28Å; A97-A99 PolarHBondContact O-N 3.23Å; A99-Q101 WeakPolarHBondContact O-CG 3.5Å; A99-Q101 PolarHBondContact O-N 2.89Å
100	K	71.1	Confident	70.6	Confident	100 Å²	100	77.1 Å²	77.1	44%	0.435	42%	0.42	S	S	.	.			trans	-44.6	114	175.7	-169.4	-173.3	179.6	175.3	0	108.3	S98 H102 Y103 D128	S98-K100 PolarHBondContact O-N 2.72Å; K100-H102 WeakPolarHBondContact CD-O 3.36Å; K100-H102 WeakPolarHBondContact CE-O 3.05Å; K100-H102 VanDerWaalsContact CG-O 3.26Å; K100-H102 WeakPolarHBondContact CG-O 3.39Å; K100-H102 PolarHBondContact O-N 2.96Å; K100-Y103 HydrophobicContact CB-CE1 4.41Å; K100-Y103 HydrophobicContact CD-CD1 4.34Å; K100-Y103 HydrophobicContact CD-CE1 4.02Å; K100-Y103 WeakPolarHBondContact O-CE2 3.11Å; K100-Y103 VanDerWaalsContact O-CZ 3.27Å; K100-Y103 PolarHBondContact O-OH 2.95Å; K100-D128 PolarHBondContact NZ-O 3.35Å
101	Q	87.6	Confident	73.4	Confident	118 Å²	118	71.4 Å²	71.4	55%	0.551	40%	0.402	S	S	*	.			trans	-90.4	11.6	-175.2	-61.3	-173.3	-28.7	0	0	112.1	A99 S196	A99-Q101 WeakPolarHBondContact O-CG 3.5Å; A99-Q101 PolarHBondContact O-N 2.89Å; Q101-S196 PolarHBondContact O-N 2.91Å; Q101-S196 PolarHBondContact O-OG 3.47Å
102	H	97.4	Very high	76.3	Confident	76 Å²	76	65.9 Å²	65.9	35%	0.352	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	131.9	-179.6	-177.8	73.8	0	0	0	110.6	K100 S196	K100-H102 WeakPolarHBondContact CD-O 3.36Å; K100-H102 WeakPolarHBondContact CE-O 3.05Å; K100-H102 VanDerWaalsContact CG-O 3.26Å; K100-H102 WeakPolarHBondContact CG-O 3.39Å; K100-H102 PolarHBondContact O-N 2.96Å; H102-S196 WeakPolarHBondContact CA-O 3.17Å; H102-S196 WeakPolarHBondContact CA-OG 3.26Å; H102-S196 VanDerWaalsContact CB-OG 3.3Å; H102-S196 WeakPolarHBondContact CB-OG 3.3Å; H102-S196 PolarHBondContact ND1-OG 2.9Å
103	Y	98.4	Very high	79.2	Confident	12 Å²	12	58.2 Å²	58.2	5%	0.047	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.2	172.7	-63	-88.8	0	0	0	110.5	K100 M105 L106 A131 K171 I195 S196 Y197 E198	K100-Y103 HydrophobicContact CB-CE1 4.41Å; K100-Y103 HydrophobicContact CD-CD1 4.34Å; K100-Y103 HydrophobicContact CD-CE1 4.02Å; K100-Y103 WeakPolarHBondContact O-CE2 3.11Å; K100-Y103 VanDerWaalsContact O-CZ 3.27Å; K100-Y103 PolarHBondContact O-OH 2.95Å; Y103-M105 PolarHBondContact O-N 2.8Å; Y103-L106 HydrophobicContact CD2-CD1 4.43Å; Y103-A131 HydrophobicContact CD1-CB 3.54Å; Y103-A131 HydrophobicContact CD2-CB 3.56Å; Y103-A131 HydrophobicContact CE1-CB 3.64Å; Y103-A131 HydrophobicContact CE2-CB 3.65Å; Y103-A131 HydrophobicContact CG-CB 3.52Å; Y103-K171 HydrophobicContact CE1-CB 4.01Å; Y103-K171 HydrophobicContact CE1-CG 4.37Å; Y103-K171 WeakPolarHBondContact OH-CG 3.42Å; Y103-I195 HydrophobicContact CD2-CG2 3.79Å; Y103-I195 HydrophobicContact CE2-CG2 4.02Å; Y103-S196 PolarHBondContact N-O 2.7Å; Y103-S196 VanDerWaalsContact N-O 3.07Å; Y103-Y197 WeakPolarHBondContact O-CA 3.43Å; Y103-E198 PolarHBondContact O-N 2.65Å; Y103-E198 VanDerWaalsContact O-N 3.16Å
104	K	98.3	Very high	82.1	Confident	64 Å²	64	52.4 Å²	52.4	28%	0.278	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	-38	171.5	-177.2	156.8	-170.5	157.1	0	111.6	L125 N129 E198 Y199	K104-L125 HydrophobicContact CD-CD2 4.15Å; K104-L125 HydrophobicContact CG-CD1 4.27Å; K104-N129 HydrophobicContact CB-CB 4.09Å; K104-N129 PolarHBondContact N-O 3.12Å; K104-E198 VanDerWaalsContact CE-OE2 3.23Å; K104-E198 WeakPolarHBondContact CE-OE2 3.49Å; K104-E198 HydrophobicContact CG-CB 4.29Å; K104-E198 HydrophobicContact CG-CG 4.42Å; K104-E198 WeakPolarHBondContact CG-OE2 3.08Å; K104-E198 IonicContact NZ-OE2 2.55Å; K104-E198 WeakPolarHBondContact O-CB 3.3Å; K104-Y199 HydrophobicContact CG-CD2 4.45Å; K104-Y199 PolarHBondContact O-N 2.88Å
105	M	98.8	Very high	84.7	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	113.4	175.2	-179.8	61.7	64.1	0	0	110.6	Y103 V107 M121 L125 N129 V130 A131 Y199 I201 I419	Y103-M105 PolarHBondContact O-N 2.8Å; M105-V107 HydrophobicContact CG-CG2 4.17Å; M105-M121 HydrophobicContact CE-CG 4.17Å; M105-M121 HydrophobicContact CE-SD 3.82Å; M105-M121 HydrophobicContact CG-CB 4.03Å; M105-M121 HydrophobicContact CG-CG 3.91Å; M105-M121 HydrophobicContact SD-CG 4.35Å; M105-L125 HydrophobicContact CB-CD1 3.67Å; M105-L125 HydrophobicContact CE-CD1 4.27Å; M105-L125 HydrophobicContact CG-CD1 4.44Å; M105-N129 PolarHBondContact N-O 3.22Å; M105-V130 HydrophobicContact CB-CG2 4.24Å; M105-V130 HydrophobicContact CG-CG1 4.37Å; M105-V130 WeakPolarHBondContact O-CA 3.45Å; M105-A131 PolarHBondContact O-N 3.26Å; M105-Y199 WeakPolarHBondContact CA-O 3.3Å; M105-Y199 VanDerWaalsContact CE-CB 3.5Å; M105-Y199 HydrophobicContact CE-CG 4.25Å; M105-I201 HydrophobicContact CE-CD1 4.26Å; M105-I201 HydrophobicContact CE-CG1 4.49Å; M105-I201 HydrophobicContact CG-CD1 4.46Å; M105-I201 HydrophobicContact SD-CD1 3.59Å; M105-I201 VanDerWaalsContact SD-CD1 3.59Å; M105-I201 HydrophobicContact SD-CG1 3.63Å; M105-I419 HydrophobicContact CE-CD1 4.28Å; M105-I419 HydrophobicContact CE-CG2 4.16Å
106	L	98.9	Very high	87.6	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131.3	170.7	-172.3	63.7	0	0	0	109.8	Y103 L108 A131 V133 V187 I195 Y197 Y199 L200 I201	Y103-L106 HydrophobicContact CD2-CD1 4.43Å; L106-L108 HydrophobicContact CD2-CD2 4.02Å; L106-L108 HydrophobicContact CG-CD2 3.99Å; L106-A131 HydrophobicContact CD1-CB 3.86Å; L106-V133 HydrophobicContact CD1-CG2 3.88Å; L106-V187 HydrophobicContact CD2-CB 3.96Å; L106-V187 HydrophobicContact CD2-CG2 3.7Å; L106-I195 HydrophobicContact CD1-CG2 4.02Å; L106-I195 HydrophobicContact CD2-CB 4.29Å; L106-I195 HydrophobicContact CD2-CG2 3.96Å; L106-Y197 HydrophobicContact CB-CD1 4.48Å; L106-Y197 HydrophobicContact CB-CG 4.38Å; L106-Y197 HydrophobicContact CD2-CD1 3.99Å; L106-Y199 PolarHBondContact N-O 2.93Å; L106-L200 HydrophobicContact CB-CD1 4.01Å; L106-L200 HydrophobicContact CD2-CD1 4.1Å; L106-L200 HydrophobicContact CG-CD1 4.13Å; L106-L200 CarbonylContact O-C 3.54Å; L106-L200 WeakPolarHBondContact O-CA 3.21Å; L106-I201 PolarHBondContact O-N 3.42Å
107	V	98.9	Very high	90.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.5	177.4	-174.4	0	0	0	0	109.3	M105 S118 V130 A131 V132 V133 I201	M105-V107 HydrophobicContact CG-CG2 4.17Å; V107-S118 WeakPolarHBondContact CG2-OG 3.19Å; V107-V130 HydrophobicContact CG2-CG1 4.39Å; V107-A131 PolarHBondContact N-O 2.94Å; V107-V132 HydrophobicContact CB-CG2 4.24Å; V107-V132 CarbonylContact O-C 3.54Å; V107-V132 WeakPolarHBondContact O-CA 3.39Å; V107-V133 PolarHBondContact O-N 3.47Å; V107-I201 CarbonylContact C-O 3.5Å; V107-I201 WeakPolarHBondContact CA-O 3.48Å; V107-I201 HydrophobicContact CG1-CB 4.32Å; V107-I201 HydrophobicContact CG1-CG2 4.31Å; V107-I201 HydrophobicContact CG2-CB 4.25Å; V107-I201 HydrophobicContact CG2-CD1 4.39Å
108	L	98.9	Very high	92.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	115.1	178.6	-51.8	-172.8	0	0	0	110.2	L106 V133 V177 I180 V187 L200 I201 V202 A203 L204	L106-L108 HydrophobicContact CD2-CD2 4.02Å; L106-L108 HydrophobicContact CG-CD2 3.99Å; L108-V133 HydrophobicContact CD2-CB 4.14Å; L108-V133 HydrophobicContact CD2-CG2 3.98Å; L108-V177 HydrophobicContact CB-CG2 4.24Å; L108-V177 HydrophobicContact CD1-CG1 4.36Å; L108-V177 HydrophobicContact CD1-CG2 4.31Å; L108-V177 HydrophobicContact CD2-CG2 3.91Å; L108-V177 HydrophobicContact CG-CG2 4.37Å; L108-I180 HydrophobicContact CD1-CD1 3.61Å; L108-I180 HydrophobicContact CD1-CG1 3.92Å; L108-V187 HydrophobicContact CD1-CG1 4.41Å; L108-V187 HydrophobicContact CD1-CG2 4.12Å; L108-V187 HydrophobicContact CD2-CG1 4.03Å; L108-V187 HydrophobicContact CD2-CG2 4.16Å; L108-L200 HydrophobicContact CD1-CD1 3.94Å; L108-L200 HydrophobicContact CD1-CD2 4.3Å; L108-L200 HydrophobicContact CD2-CD1 4.1Å; L108-L200 HydrophobicContact CG-CD1 3.72Å; L108-I201 PolarHBondContact N-O 3.13Å; L108-V202 HydrophobicContact CD1-CG2 4.35Å; L108-A203 CarbonylContact O-C 3.54Å; L108-A203 VanDerWaalsContact O-C 3.24Å; L108-A203 VanDerWaalsContact O-CA 3.31Å; L108-A203 WeakPolarHBondContact O-CA 3.16Å; L108-A203 PolarHBondContact O-N 3.34Å; L108-L204 HydrophobicContact CB-CD1 4.34Å; L108-L204 HydrophobicContact CB-CD2 3.93Å; L108-L204 HydrophobicContact CB-CG 4.02Å; L108-L204 PolarHBondContact O-N 3.02Å
109	G	98.8	Very high	95	Very high	4 Å²	4	23.9 Å²	23.9	4%	0.041	13%	0.133	C	C	.	.			trans	96.2	129.2	-175.6	0	0	0	0	0	112.4	G114 V133	G109-G114 VanDerWaalsContact O-CA 3.28Å; G109-G114 WeakPolarHBondContact O-CA 3.29Å; G109-V133 WeakPolarHBondContact CA-O 3.26Å; G109-V133 PolarHBondContact N-O 3.38Å
110	G	98.6	Very high	96.8	Very high	2 Å²	2	22.2 Å²	22.2	2%	0.021	12%	0.115	C	C	.	.			trans	-102.8	28.4	177.8	0	0	0	0	0	113	I115 E134 H139	G110-I115 WeakPolarHBondContact O-CG1 3.47Å; G110-E134 WeakPolarHBondContact CA-OE2 3.23Å; G110-E134 PolarHBondContact N-OE2 3.01Å; G110-H139 PolarHBondContact O-CE1 3.44Å; G110-H139 PolarHBondContact O-ND1 3.12Å
111	G	98.6	Very high	98.2	Very high	29 Å²	29	17.5 Å²	17.5	30%	0.299	10%	0.095	S	C	.	.	S	Bend	trans	-79.6	-163	172.5	0	0	0	0	0	113.4	G113 G114 I115 H139	G111-G113 PolarHBondContact O-N 3.36Å; G111-G114 PolarHBondContact O-N 2.71Å; G111-I115 PolarHBondContact O-N 3.29Å; G111-H139 VanDerWaalsContact C-CE1 3.46Å
112	S	98.8	Very high	98.7	Very high	29 Å²	29	14.6 Å²	14.6	20%	0.203	8%	0.08	C	C	.	.	H	α-helix	trans	-54.6	-46.7	-176.6	-56.8	0	0	0	0	113.4	C116 Y485	S112-C116 WeakPolarHBondContact O-CB 3.5Å; S112-C116 PolarHBondContact O-N 3.06Å; S112-Y485 WeakPolarHBondContact OG-CE2 3.31Å; S112-Y485 PolarHBondContact OG-OH 2.93Å
113	G	98.8	Very high	98.7	Very high	7 Å²	7	17.3 Å²	17.3	7%	0.072	9%	0.088	C	C	.	.	H	α-helix	trans	-71.5	-46.5	-179.7	0	0	0	0	0	112	G111 C116 M117	G111-G113 PolarHBondContact O-N 3.36Å; G113-C116 PolarHBondContact O-N 3.5Å; G113-M117 WeakPolarHBondContact O-CB 3.22Å; G113-M117 WeakPolarHBondContact O-CG 3.38Å; G113-M117 PolarHBondContact O-N 2.81Å
114	G	98.9	Very high	98.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.4	-56.5	-178.4	0	0	0	0	0	113.4	G109 G111 C116 M117 S118	G109-G114 VanDerWaalsContact O-CA 3.28Å; G109-G114 WeakPolarHBondContact O-CA 3.29Å; G111-G114 PolarHBondContact O-N 2.71Å; G114-C116 VanDerWaalsContact C-N 3.32Å; G114-C116 PolarHBondContact O-N 2.8Å; G114-M117 PolarHBondContact O-N 2.84Å; G114-M117 VanDerWaalsContact O-N 3.17Å; G114-S118 PolarHBondContact O-N 3.36Å; G114-S118 PolarHBondContact O-OG 3.01Å
115	I	98.9	Very high	98.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.8	-41.8	179.8	-64.4	-66	0	0	0	111.5	G110 G111 M117 S118 A119 V165 M166 L490	G110-I115 WeakPolarHBondContact O-CG1 3.47Å; G111-I115 PolarHBondContact O-N 3.29Å; I115-M117 PolarHBondContact O-N 3.31Å; I115-S118 PolarHBondContact O-N 3.14Å; I115-A119 PolarHBondContact O-N 3.09Å; I115-V165 HydrophobicContact CD1-CG2 4.49Å; I115-V165 HydrophobicContact CG1-CG2 4.49Å; I115-V165 VanDerWaalsContact CG2-O 3.28Å; I115-V165 WeakPolarHBondContact CG2-O 3.35Å; I115-M166 HydrophobicContact CD1-CE 3.77Å; I115-M166 HydrophobicContact CD1-SD 3.92Å; I115-L490 HydrophobicContact CB-CD2 4.12Å; I115-L490 HydrophobicContact CG2-CB 3.86Å; I115-L490 HydrophobicContact CG2-CD1 4.36Å; I115-L490 HydrophobicContact CG2-CD2 3.98Å; I115-L490 HydrophobicContact CG2-CG 4.27Å
116	C	98.9	Very high	98.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.9	-47.7	176.3	-177.5	0	0	0	0	111.6	S112 G113 G114 A119 R120 S412 L489	S112-C116 WeakPolarHBondContact O-CB 3.5Å; S112-C116 PolarHBondContact O-N 3.06Å; G113-C116 PolarHBondContact O-N 3.5Å; G114-C116 VanDerWaalsContact C-N 3.32Å; G114-C116 PolarHBondContact O-N 2.8Å; C116-A119 PolarHBondContact O-N 2.55Å; C116-R120 WeakPolarHBondContact O-CG 3.34Å; C116-R120 PolarHBondContact O-N 3.16Å; C116-R120 VanDerWaalsContact O-N 3.16Å; C116-S412 VanDerWaalsContact SG-CB 3.56Å; C116-L489 HydrophobicContact CB-CD1 4.24Å; C116-L489 HydrophobicContact CB-CG 4.34Å; C116-L489 WeakPolarHBondContact CB-O 3.43Å; C116-L489 VanDerWaalsContact SG-CD1 3.59Å; C116-L489 PolarHBondContact SG-O 3.27Å
117	M	98.9	Very high	98.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-68.9	-39.2	179.6	-72	-50.7	-56.8	0	0	112	G113 G114 I115 A119 R120 M121 I201 I393 L415 I419	G113-M117 WeakPolarHBondContact O-CB 3.22Å; G113-M117 WeakPolarHBondContact O-CG 3.38Å; G113-M117 PolarHBondContact O-N 2.81Å; G114-M117 PolarHBondContact O-N 2.84Å; G114-M117 VanDerWaalsContact O-N 3.17Å; I115-M117 PolarHBondContact O-N 3.31Å; M117-A119 VanDerWaalsContact C-N 3.32Å; M117-A119 PolarHBondContact O-N 3.07Å; M117-R120 WeakPolarHBondContact O-CB 3.48Å; M117-R120 PolarHBondContact O-N 2.84Å; M117-R120 VanDerWaalsContact O-N 3.11Å; M117-M121 HydrophobicContact CE-CE 3.88Å; M117-M121 WeakPolarHBondContact O-CB 3.28Å; M117-M121 VanDerWaalsContact O-CG 3.25Å; M117-M121 WeakPolarHBondContact O-CG 3.43Å; M117-M121 PolarHBondContact O-N 3.04Å; M117-I201 HydrophobicContact CB-CD1 3.93Å; M117-I201 HydrophobicContact CB-CG2 4.35Å; M117-I201 HydrophobicContact CE-CD1 3.92Å; M117-I201 HydrophobicContact CG-CD1 4.42Å; M117-I201 HydrophobicContact CG-CG2 4.37Å; M117-I393 HydrophobicContact CG-CD1 3.95Å; M117-I393 HydrophobicContact CG-CG2 4.15Å; M117-I393 HydrophobicContact SD-CD1 4.15Å; M117-L415 HydrophobicContact CE-CB 4.14Å; M117-L415 HydrophobicContact CE-CD2 3.76Å; M117-L415 HydrophobicContact CE-CG 3.68Å; M117-L415 HydrophobicContact CG-CD2 4.17Å; M117-L415 HydrophobicContact SD-CB 4.31Å; M117-L415 HydrophobicContact SD-CD2 4Å; M117-L415 HydrophobicContact SD-CG 4.29Å; M117-I419 HydrophobicContact CE-CD1 4.13Å
118	S	98.9	Very high	98.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.3	-39.6	175	-57.3	0	0	0	0	112.2	V107 G114 I115 R120 M121 K122 V132	V107-S118 WeakPolarHBondContact CG2-OG 3.19Å; G114-S118 PolarHBondContact O-N 3.36Å; G114-S118 PolarHBondContact O-OG 3.01Å; I115-S118 PolarHBondContact O-N 3.14Å; S118-R120 VanDerWaalsContact C-N 3.31Å; S118-R120 PolarHBondContact O-N 3.15Å; S118-M121 PolarHBondContact O-N 2.95Å; S118-K122 WeakPolarHBondContact O-CB 3.28Å; S118-K122 PolarHBondContact O-N 2.96Å; S118-V132 WeakPolarHBondContact OG-CG2 3.31Å
119	A	98.9	Very high	98.5	Very high	6 Å²	6	29.3 Å²	29.3	5%	0.05	17%	0.165	C	C	.	.	H	α-helix	trans	-64.5	-37.1	175.1	0	0	0	0	0	112.4	I115 C116 M117 R123 P167 L490	I115-A119 PolarHBondContact O-N 3.09Å; C116-A119 PolarHBondContact O-N 2.55Å; M117-A119 VanDerWaalsContact C-N 3.32Å; M117-A119 PolarHBondContact O-N 3.07Å; A119-R123 PolarHBondContact O-NH1 2.93Å; A119-P167 HydrophobicContact CB-CB 4.34Å; A119-P167 HydrophobicContact CB-CG 3.86Å; A119-L490 WeakPolarHBondContact CB-O 3.44Å
120	R	98.8	Very high	98.5	Very high	20 Å²	20	29.1 Å²	29.1	8%	0.075	16%	0.163	C	C	.	.	H	α-helix	trans	-69	-49.3	176.1	-74.3	171.9	174.8	-68.9	-0.3	111.6	C116 M117 S118 K122 R123 M124 S412 N416 G492 W494	C116-R120 WeakPolarHBondContact O-CG 3.34Å; C116-R120 PolarHBondContact O-N 3.16Å; C116-R120 VanDerWaalsContact O-N 3.16Å; M117-R120 WeakPolarHBondContact O-CB 3.48Å; M117-R120 PolarHBondContact O-N 2.84Å; M117-R120 VanDerWaalsContact O-N 3.11Å; S118-R120 VanDerWaalsContact C-N 3.31Å; S118-R120 PolarHBondContact O-N 3.15Å; R120-K122 VanDerWaalsContact C-N 3.34Å; R120-K122 PolarHBondContact O-N 3.04Å; R120-R123 PolarHBondContact O-N 2.84Å; R120-R123 VanDerWaalsContact O-N 3.17Å; R120-M124 PolarHBondContact O-N 2.65Å; R120-S412 PolarHBondContact NE-OG 2.99Å; R120-S412 PolarHBondContact NH2-OG 3.38Å; R120-N416 WeakPolarHBondContact CB-OD1 3.42Å; R120-G492 VanDerWaalsContact CZ-O 3.29Å; R120-G492 PolarHBondContact NH1-O 2.89Å; R120-G492 PolarHBondContact NH2-O 3.31Å; R120-W494 PolarHBondContact NH2-O 3.26Å
121	M	98.8	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.1	-36.5	-179.9	-65.2	-55.9	96.5	0	0	111.9	M105 M117 S118 R123 M124 L125 V130 I201 N416 I419	M105-M121 HydrophobicContact CE-CG 4.17Å; M105-M121 HydrophobicContact CE-SD 3.82Å; M105-M121 HydrophobicContact CG-CB 4.03Å; M105-M121 HydrophobicContact CG-CG 3.91Å; M105-M121 HydrophobicContact SD-CG 4.35Å; M117-M121 HydrophobicContact CE-CE 3.88Å; M117-M121 WeakPolarHBondContact O-CB 3.28Å; M117-M121 VanDerWaalsContact O-CG 3.25Å; M117-M121 WeakPolarHBondContact O-CG 3.43Å; M117-M121 PolarHBondContact O-N 3.04Å; S118-M121 PolarHBondContact O-N 2.95Å; M121-R123 VanDerWaalsContact C-N 3.26Å; M121-R123 PolarHBondContact O-N 2.9Å; M121-M124 HydrophobicContact CE-CE 4.04Å; M121-M124 HydrophobicContact CE-SD 3.46Å; M121-M124 WeakPolarHBondContact CE-SD 3.49Å; M121-M124 PolarHBondContact O-N 3.23Å; M121-M124 HydrophobicContact SD-CE 4.44Å; M121-M124 HydrophobicContact SD-SD 4.47Å; M121-L125 HydrophobicContact CB-CD1 4.5Å; M121-L125 WeakPolarHBondContact O-CB 3.37Å; M121-L125 PolarHBondContact O-N 2.9Å; M121-V130 HydrophobicContact CB-CG2 4.04Å; M121-I201 HydrophobicContact CG-CD1 3.88Å; M121-I201 HydrophobicContact SD-CD1 4.42Å; M121-N416 WeakPolarHBondContact CE-OD1 3.48Å; M121-I419 HydrophobicContact CE-CB 4.5Å; M121-I419 HydrophobicContact CE-CD1 4.27Å; M121-I419 HydrophobicContact CE-CG2 4.44Å; M121-I419 HydrophobicContact SD-CB 4.33Å; M121-I419 HydrophobicContact SD-CD1 3.82Å; M121-I419 HydrophobicContact SD-CG2 3.77Å
122	K	98.6	Very high	98.5	Very high	58 Å²	58	27.6 Å²	27.6	25%	0.252	15%	0.148	S	C	.	.	H	α-helix	trans	-51.4	-44.9	171.1	169.7	-177.7	171.3	179	0	112.1	S118 R120 M124 G126 A127 P167 S168 V170	S118-K122 WeakPolarHBondContact O-CB 3.28Å; S118-K122 PolarHBondContact O-N 2.96Å; R120-K122 VanDerWaalsContact C-N 3.34Å; R120-K122 PolarHBondContact O-N 3.04Å; K122-M124 VanDerWaalsContact C-N 3.29Å; K122-M124 PolarHBondContact O-N 3.01Å; K122-G126 CarbonylContact O-C 3.56Å; K122-G126 VanDerWaalsContact O-CA 3.26Å; K122-G126 WeakPolarHBondContact O-CA 3.11Å; K122-G126 PolarHBondContact O-N 2.87Å; K122-A127 HydrophobicContact CD-CB 4.18Å; K122-A127 HydrophobicContact CG-CB 3.98Å; K122-P167 HydrophobicContact CD-CB 4.05Å; K122-S168 WeakPolarHBondContact CD-O 3.2Å; K122-S168 WeakPolarHBondContact CE-O 3.49Å; K122-S168 PolarHBondContact NZ-O 3.47Å; K122-S168 PolarHBondContact NZ-OG 2.83Å; K122-V170 HydrophobicContact CB-CG2 4.02Å; K122-V170 HydrophobicContact CD-CG2 4.18Å; K122-V170 HydrophobicContact CG-CG2 4.36Å
123	R	98.4	Very high	98.5	Very high	133 Å²	133	26.3 Å²	26.3	50%	0.502	14%	0.139	S	C	.	.	H	α-helix	trans	-70.4	-26.9	-180	-71.4	-173.7	-64.1	-94.9	5.3	113.1	A119 R120 M121 R491 G492	A119-R123 PolarHBondContact O-NH1 2.93Å; R120-R123 PolarHBondContact O-N 2.84Å; R120-R123 VanDerWaalsContact O-N 3.17Å; M121-R123 VanDerWaalsContact C-N 3.26Å; M121-R123 PolarHBondContact O-N 2.9Å; R123-R491 PolarHBondContact NH1-O 3.37Å; R123-G492 PolarHBondContact NH2-O 2.59Å
124	M	97.6	Very high	98.5	Very high	68 Å²	68	27.5 Å²	27.5	34%	0.335	14%	0.142	S	C	.	.	H	α-helix	trans	-87.6	-34.6	-178.7	-72.9	175.3	45.9	0	0	113.1	R120 M121 K122 N416 I419 L423	R120-M124 PolarHBondContact O-N 2.65Å; M121-M124 HydrophobicContact CE-CE 4.04Å; M121-M124 HydrophobicContact CE-SD 3.46Å; M121-M124 WeakPolarHBondContact CE-SD 3.49Å; M121-M124 PolarHBondContact O-N 3.23Å; M121-M124 HydrophobicContact SD-CE 4.44Å; M121-M124 HydrophobicContact SD-SD 4.47Å; K122-M124 VanDerWaalsContact C-N 3.29Å; K122-M124 PolarHBondContact O-N 3.01Å; M124-N416 PolarHBondContact SD-OD1 2.78Å; M124-I419 HydrophobicContact CE-CG2 4.12Å; M124-L423 HydrophobicContact CE-CD1 3.57Å
125	L	97.9	Very high	98.5	Very high	25 Å²	25	30.4 Å²	30.4	13%	0.131	16%	0.161	C	C	.	.	H	α-helix	trans	-117.2	-11.3	-168.4	-60.1	176.8	0	0	0	113.7	K104 M105 M121 N129 L423	K104-L125 HydrophobicContact CD-CD2 4.15Å; K104-L125 HydrophobicContact CG-CD1 4.27Å; M105-L125 HydrophobicContact CB-CD1 3.67Å; M105-L125 HydrophobicContact CE-CD1 4.27Å; M105-L125 HydrophobicContact CG-CD1 4.44Å; M121-L125 HydrophobicContact CB-CD1 4.5Å; M121-L125 WeakPolarHBondContact O-CB 3.37Å; M121-L125 PolarHBondContact O-N 2.9Å; L125-N129 HydrophobicContact CB-CB 4.22Å; L125-N129 PolarHBondContact O-ND2 3.17Å; L125-L423 HydrophobicContact CD2-CD1 3.72Å; L125-L423 HydrophobicContact CD2-CD2 4.26Å
126	G	98.3	Very high	98.4	Very high	35 Å²	35	32.6 Å²	32.6	36%	0.361	18%	0.176	S	C	.	.			trans	85	152.8	-166	0	0	0	0	0	112.1	K122 N129	K122-G126 CarbonylContact O-C 3.56Å; K122-G126 VanDerWaalsContact O-CA 3.26Å; K122-G126 WeakPolarHBondContact O-CA 3.11Å; K122-G126 PolarHBondContact O-N 2.87Å; G126-N129 PolarHBondContact O-N 2.96Å
127	A	97.6	Very high	98.4	Very high	19 Å²	19	38.3 Å²	38.3	16%	0.157	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-69.1	-39.4	-172.1	0	0	0	0	0	113.1	K122 N129 V130	K122-A127 HydrophobicContact CD-CB 4.18Å; K122-A127 HydrophobicContact CG-CB 3.98Å; A127-N129 PolarHBondContact O-N 2.89Å; A127-V130 PolarHBondContact O-N 2.83Å; A127-V130 VanDerWaalsContact O-N 3.09Å
128	D	97.3	Very high	98.4	Very high	124 Å²	124	40.5 Å²	40.5	66%	0.663	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-68.2	-7.9	-177.6	-54.2	-42.4	0	0	0	114.1	K100	K100-D128 PolarHBondContact NZ-O 3.35Å
129	N	98.3	Very high	98.4	Very high	56 Å²	56	40.9 Å²	40.9	30%	0.299	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-100.1	-1.5	179.3	-72.3	-36.5	0	0	0	113	K104 M105 L125 G126 A127	K104-N129 HydrophobicContact CB-CB 4.09Å; K104-N129 PolarHBondContact N-O 3.12Å; M105-N129 PolarHBondContact N-O 3.22Å; L125-N129 HydrophobicContact CB-CB 4.22Å; L125-N129 PolarHBondContact O-ND2 3.17Å; G126-N129 PolarHBondContact O-N 2.96Å; A127-N129 PolarHBondContact O-N 2.89Å
130	V	98.8	Very high	98.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.5	-177.8	-172.5	0	0	0	0	110.1	M105 V107 M121 A127 V170 K171	M105-V130 HydrophobicContact CB-CG2 4.24Å; M105-V130 HydrophobicContact CG-CG1 4.37Å; M105-V130 WeakPolarHBondContact O-CA 3.45Å; V107-V130 HydrophobicContact CG2-CG1 4.39Å; M121-V130 HydrophobicContact CB-CG2 4.04Å; A127-V130 PolarHBondContact O-N 2.83Å; A127-V130 VanDerWaalsContact O-N 3.09Å; V130-V170 HydrophobicContact CB-CG1 4.15Å; V130-V170 HydrophobicContact CB-CG2 4.17Å; V130-V170 HydrophobicContact CG1-CG1 3.91Å; V130-V170 HydrophobicContact CG1-CG2 4.38Å; V130-V170 WeakPolarHBondContact O-CG1 3.31Å; V130-K171 PolarHBondContact O-N 2.83Å; V130-K171 VanDerWaalsContact O-N 3.14Å
131	A	98.7	Very high	98.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.5	168.6	0	0	0	0	0	111.9	Y103 M105 L106 V107 K171 V173	Y103-A131 HydrophobicContact CD1-CB 3.54Å; Y103-A131 HydrophobicContact CD2-CB 3.56Å; Y103-A131 HydrophobicContact CE1-CB 3.64Å; Y103-A131 HydrophobicContact CE2-CB 3.65Å; Y103-A131 HydrophobicContact CG-CB 3.52Å; M105-A131 PolarHBondContact O-N 3.26Å; L106-A131 HydrophobicContact CD1-CB 3.86Å; V107-A131 PolarHBondContact N-O 2.94Å; A131-K171 CarbonylContact C-O 3.54Å; A131-K171 VanDerWaalsContact CA-O 3.29Å; A131-K171 WeakPolarHBondContact CA-O 3.39Å; A131-K171 HydrophobicContact CB-CB 4.12Å; A131-K171 HydrophobicContact CB-CG 4.48Å; A131-V173 HydrophobicContact CB-CG2 4.38Å
132	V	98.9	Very high	98.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	122.3	174.6	-173.1	0	0	0	0	109.4	V107 S118 E134 M166 V170 K171 V173	V107-V132 HydrophobicContact CB-CG2 4.24Å; V107-V132 CarbonylContact O-C 3.54Å; V107-V132 WeakPolarHBondContact O-CA 3.39Å; S118-V132 WeakPolarHBondContact OG-CG2 3.31Å; V132-E134 HydrophobicContact CG1-CB 4.36Å; V132-M166 HydrophobicContact CB-CE 3.96Å; V132-M166 HydrophobicContact CB-SD 3.94Å; V132-M166 HydrophobicContact CG1-CE 4.15Å; V132-M166 HydrophobicContact CG2-CE 4.36Å; V132-M166 HydrophobicContact CG2-SD 3.72Å; V132-V170 HydrophobicContact CG2-CG1 3.84Å; V132-K171 PolarHBondContact N-O 3.41Å; V132-V173 PolarHBondContact O-N 3.35Å
133	V	98.8	Very high	98.4	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	111.6	172	-173.5	0	0	0	0	108.6	L106 V107 L108 G109 V173 S175 V177 V189 I195	L106-V133 HydrophobicContact CD1-CG2 3.88Å; V107-V133 PolarHBondContact O-N 3.47Å; L108-V133 HydrophobicContact CD2-CB 4.14Å; L108-V133 HydrophobicContact CD2-CG2 3.98Å; G109-V133 WeakPolarHBondContact CA-O 3.26Å; G109-V133 PolarHBondContact N-O 3.38Å; V133-V173 WeakPolarHBondContact CA-O 3.49Å; V133-V173 HydrophobicContact CG2-CB 4.13Å; V133-V173 HydrophobicContact CG2-CG1 4.38Å; V133-S175 VanDerWaalsContact CG1-O 3.27Å; V133-S175 WeakPolarHBondContact CG1-O 3.42Å; V133-V177 HydrophobicContact CB-CG2 4.16Å; V133-V177 HydrophobicContact CG1-CG2 3.71Å; V133-V189 HydrophobicContact CG1-CG1 3.8Å; V133-V189 HydrophobicContact CG2-CG1 4.45Å; V133-I195 HydrophobicContact CG2-CD1 4.24Å
134	E	98.8	Very high	98.4	Very high	31 Å²	31	40.5 Å²	40.5	15%	0.145	23%	0.225	C	C	.	.			trans	-150.4	119.6	-178.6	172.1	54.1	-123.5	0	0	110.5	G110 V132 S136 T162 W172 V173 K174 S175	G110-E134 WeakPolarHBondContact CA-OE2 3.23Å; G110-E134 PolarHBondContact N-OE2 3.01Å; V132-E134 HydrophobicContact CG1-CB 4.36Å; E134-S136 WeakPolarHBondContact OE1-CA 3.28Å; E134-S136 WeakPolarHBondContact OE1-CB 3.2Å; E134-S136 PolarHBondContact OE1-N 3.26Å; E134-T162 HydrophobicContact CG-CG2 4.1Å; E134-W172 PolarHBondContact O-NE1 3.43Å; E134-V173 PolarHBondContact N-O 3Å; E134-K174 WeakPolarHBondContact O-CA 3.41Å; E134-S175 CarbonylContact C-O 3.47Å
135	P	98.3	Very high	98.5	Very high	61 Å²	61	37.9 Å²	37.9	40%	0.396	21%	0.211	S	C	.	.			trans	-77.1	-31.8	-179.4	29.4	-35.2	0	0	0	113.6	S175 K176	P135-S175 WeakPolarHBondContact CD-O 3.35Å; P135-K176 HydrophobicContact CB-CB 4.25Å; P135-K176 HydrophobicContact CG-CB 4.3Å; P135-K176 HydrophobicContact CG-CG 4.49Å
136	S	98.4	Very high	98.5	Very high	46 Å²	46	37 Å²	37	32%	0.322	21%	0.207	S	C	.	.			trans	-70.4	131.3	-172.5	-175.5	0	0	0	0	112.3	E134 V138 T162 W172	E134-S136 WeakPolarHBondContact OE1-CA 3.28Å; E134-S136 WeakPolarHBondContact OE1-CB 3.2Å; E134-S136 PolarHBondContact OE1-N 3.26Å; S136-V138 PolarHBondContact O-N 3.47Å; S136-V138 PolarHBondContact OG-N 2.72Å; S136-V138 VanDerWaalsContact OG-N 3.12Å; S136-V138 PolarHBondContact OG-O 2.79Å; S136-T162 VanDerWaalsContact O-CB 3.31Å; S136-T162 WeakPolarHBondContact O-CB 3.27Å; S136-T162 PolarHBondContact O-OG1 3.32Å; S136-W172 WeakPolarHBondContact O-CZ2 3.31Å
137	E	98.6	Very high	98.5	Very high	121 Å²	121	35.4 Å²	35.4	57%	0.565	19%	0.19	S	C	*	.	S	Bend	trans	-73.9	-15.1	170	-67.4	-170.1	166.5	0	0	113.6	P161 T162 K174	E137-P161 CarbonylContact O-C 3.56Å; E137-P161 WeakPolarHBondContact O-CA 3.38Å; E137-T162 PolarHBondContact O-N 2.79Å; E137-T162 PolarHBondContact O-OG1 3.2Å; E137-K174 VanDerWaalsContact CG-CE 3.45Å; E137-K174 IonicContact OE1-NZ 2.81Å; E137-K174 PolarHBondContact OE1-NZ 3.33Å
138	V	98.7	Very high	98.6	Very high	46 Å²	46	34.7 Å²	34.7	28%	0.279	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.3	-175.2	-170.4	0	0	0	0	110.7	S136 Y140 A159 T162	S136-V138 PolarHBondContact O-N 3.47Å; S136-V138 PolarHBondContact OG-N 2.72Å; S136-V138 VanDerWaalsContact OG-N 3.12Å; S136-V138 PolarHBondContact OG-O 2.79Å; V138-Y140 HydrophobicContact CB-CE2 3.82Å; V138-Y140 HydrophobicContact CG1-CD1 4.25Å; V138-Y140 HydrophobicContact CG1-CD2 4.2Å; V138-Y140 HydrophobicContact CG1-CE1 3.71Å; V138-Y140 HydrophobicContact CG1-CE2 3.65Å; V138-Y140 HydrophobicContact CG1-CG 4.48Å; V138-A159 HydrophobicContact CG1-CB 3.78Å; V138-T162 PolarHBondContact N-OG1 3.21Å
139	H	98.9	Very high	98.6	Very high	7 Å²	7	28.8 Å²	28.8	3%	0.032	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131	173	-175	109.3	0	0	0	109.8	G110 G111 A159 R160 T162 V165 Y485 W486	G110-H139 PolarHBondContact O-CE1 3.44Å; G110-H139 PolarHBondContact O-ND1 3.12Å; G111-H139 VanDerWaalsContact C-CE1 3.46Å; H139-A159 WeakPolarHBondContact O-CA 3.46Å; H139-R160 PolarHBondContact N-O 3.35Å; H139-R160 PolarHBondContact O-N 3.41Å; H139-T162 PolarHBondContact N-OG1 2.95Å; H139-V165 HydrophobicContact CB-CG2 3.74Å; H139-Y485 AromaticContact NE2-CE1 3.7Å; H139-Y485 AromaticContact NE2-CZ 3.6Å; H139-Y485 PolarHBondContact NE2-OH 2.97Å; H139-W486 AromaticContact CD2-CH2 3.73Å; H139-W486 AromaticContact CD2-CZ3 3.46Å; H139-W486 VanDerWaalsContact CD2-CZ3 3.46Å; H139-W486 WeakPolarHBondContact CD2-CZ3 3.33Å
140	Y	98.8	Very high	98.6	Very high	58 Å²	58	26.1 Å²	26.1	23%	0.227	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132	-175.4	-64.6	-81.1	0	0	0	113.4	V138 Q142 W145 S158 A159 I231	V138-Y140 HydrophobicContact CB-CE2 3.82Å; V138-Y140 HydrophobicContact CG1-CD1 4.25Å; V138-Y140 HydrophobicContact CG1-CD2 4.2Å; V138-Y140 HydrophobicContact CG1-CE1 3.71Å; V138-Y140 HydrophobicContact CG1-CE2 3.65Å; V138-Y140 HydrophobicContact CG1-CG 4.48Å; Y140-Q142 VanDerWaalsContact C-N 3.3Å; Y140-Q142 PolarHBondContact O-N 3.49Å; Y140-Q142 VanDerWaalsContact O-N 3.1Å; Y140-W145 AromaticContact CD1-CZ2 3.75Å; Y140-W145 HydrophobicContact CD1-CZ2 3.75Å; Y140-W145 HydrophobicContact CD2-CZ2 4.15Å; Y140-W145 HydrophobicContact CE1-CZ2 4.4Å; Y140-W145 HydrophobicContact CG-CH2 4.38Å; Y140-W145 AromaticContact CG-CZ2 3.59Å; Y140-W145 HydrophobicContact CG-CZ2 3.59Å; Y140-S158 CarbonylContact C-O 3.49Å; Y140-S158 VanDerWaalsContact CA-O 3.28Å; Y140-S158 WeakPolarHBondContact CA-O 3.23Å; Y140-A159 HydrophobicContact CD1-CB 3.8Å; Y140-A159 HydrophobicContact CE1-CB 3.61Å; Y140-I231 HydrophobicContact CD1-CD1 4.33Å; Y140-I231 HydrophobicContact CE1-CD1 3.7Å; Y140-I231 HydrophobicContact CE1-CG1 3.89Å
141	Y	98.7	Very high	98.6	Very high	19 Å²	19	27.9 Å²	27.9	8%	0.075	16%	0.156	C	C	.	.			trans	-80.3	77.4	161.6	-179.5	-117.4	0	0	0	110.4	P143 I144 S158 P482 Y485	Y141-P143 VanDerWaalsContact C-N 3.34Å; Y141-P143 HydrophobicContact CD2-CG 4.11Å; Y141-P143 HydrophobicContact CE1-CB 4.12Å; Y141-P143 HydrophobicContact CE2-CB 4Å; Y141-P143 HydrophobicContact CE2-CG 3.62Å; Y141-I144 HydrophobicContact CD1-CB 3.84Å; Y141-I144 HydrophobicContact CD1-CG2 4.29Å; Y141-I144 HydrophobicContact CE1-CB 4.08Å; Y141-I144 VanDerWaalsContact O-CG2 3.3Å; Y141-I144 WeakPolarHBondContact O-CG2 2.99Å; Y141-I144 PolarHBondContact O-N 2.85Å; Y141-S158 PolarHBondContact N-O 3.39Å; Y141-P482 HydrophobicContact CD1-CB 4.18Å; Y141-P482 HydrophobicContact CD1-CG 4.32Å; Y141-P482 HydrophobicContact CE1-CB 4.03Å; Y141-P482 HydrophobicContact CE1-CG 3.79Å; Y141-Y485 AromaticContact CD2-CD1 3.41Å; Y141-Y485 HydrophobicContact CD2-CD1 3.41Å; Y141-Y485 VanDerWaalsContact CD2-CD1 3.41Å; Y141-Y485 AromaticContact CD2-CD2 3.44Å; Y141-Y485 HydrophobicContact CD2-CD2 3.44Å; Y141-Y485 VanDerWaalsContact CD2-CD2 3.44Å; Y141-Y485 AromaticContact CD2-CE1 3.71Å; Y141-Y485 HydrophobicContact CD2-CE1 3.71Å; Y141-Y485 AromaticContact CD2-CE2 3.73Å; Y141-Y485 HydrophobicContact CD2-CE2 3.73Å; Y141-Y485 AromaticContact CD2-CG 3.25Å; Y141-Y485 HydrophobicContact CD2-CG 3.25Å; Y141-Y485 AromaticContact CD2-CZ 3.84Å; Y141-Y485 HydrophobicContact CE2-CD1 4.23Å; Y141-Y485 AromaticContact CE2-CD2 3.62Å; Y141-Y485 HydrophobicContact CE2-CD2 3.62Å; Y141-Y485 HydrophobicContact CE2-CE2 4.22Å; Y141-Y485 AromaticContact CE2-CG 3.6Å; Y141-Y485 HydrophobicContact CE2-CG 3.6Å; Y141-Y485 AromaticContact CG-CD1 3.87Å; Y141-Y485 HydrophobicContact CG-CD1 3.87Å; Y141-Y485 HydrophobicContact CG-CE1 4.15Å; Y141-Y485 HydrophobicContact CG-CG 4.09Å
142	Q	98.7	Very high	98.6	Very high	74 Å²	74	29.6 Å²	29.6	35%	0.346	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-54.6	-31.8	-174.9	-59.7	175.3	37.2	0	0	115.8	Y140 I144 W145	Y140-Q142 VanDerWaalsContact C-N 3.3Å; Y140-Q142 PolarHBondContact O-N 3.49Å; Y140-Q142 VanDerWaalsContact O-N 3.1Å; Q142-I144 PolarHBondContact O-N 2.82Å; Q142-W145 HydrophobicContact CB-CD2 4.23Å; Q142-W145 HydrophobicContact CB-CE3 4.03Å; Q142-W145 HydrophobicContact CB-CZ3 4.25Å; Q142-W145 HydrophobicContact CG-CD2 4.34Å; Q142-W145 HydrophobicContact CG-CE3 4.03Å; Q142-W145 HydrophobicContact CG-CH2 3.8Å; Q142-W145 HydrophobicContact CG-CZ2 4.1Å; Q142-W145 HydrophobicContact CG-CZ3 3.75Å; Q142-W145 VanDerWaalsContact O-CB 3.25Å; Q142-W145 WeakPolarHBondContact O-CB 3.45Å; Q142-W145 PolarHBondContact O-N 2.9Å
143	P	98.5	Very high	98.6	Very high	54 Å²	54	32.8 Å²	32.8	35%	0.351	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-59.7	-16.4	177.9	-26.5	35.6	0	0	0	115.4	Y141 K477	Y141-P143 VanDerWaalsContact C-N 3.34Å; Y141-P143 HydrophobicContact CD2-CG 4.11Å; Y141-P143 HydrophobicContact CE1-CB 4.12Å; Y141-P143 HydrophobicContact CE2-CB 4Å; Y141-P143 HydrophobicContact CE2-CG 3.62Å; P143-K477 PolarHBondContact O-NZ 2.89Å
144	I	98.1	Very high	98.5	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-80.1	-18	173.9	-151.4	69.3	0	0	0	112.7	Y141 Q142 T146 L147 V148 K153 P482	Y141-I144 HydrophobicContact CD1-CB 3.84Å; Y141-I144 HydrophobicContact CD1-CG2 4.29Å; Y141-I144 HydrophobicContact CE1-CB 4.08Å; Y141-I144 VanDerWaalsContact O-CG2 3.3Å; Y141-I144 WeakPolarHBondContact O-CG2 2.99Å; Y141-I144 PolarHBondContact O-N 2.85Å; Q142-I144 PolarHBondContact O-N 2.82Å; I144-T146 PolarHBondContact O-N 2.76Å; I144-L147 HydrophobicContact CD1-CD1 3.95Å; I144-L147 WeakPolarHBondContact O-CA 3.31Å; I144-L147 WeakPolarHBondContact O-CB 3.47Å; I144-L147 PolarHBondContact O-N 2.81Å; I144-V148 HydrophobicContact CG2-CG2 4.29Å; I144-V148 PolarHBondContact O-N 3.29Å; I144-K153 HydrophobicContact CD1-CG 3.95Å; I144-K153 HydrophobicContact CG1-CB 4Å; I144-K153 HydrophobicContact CG1-CG 3.91Å; I144-P482 HydrophobicContact CD1-CG 4.06Å
145	W	98.8	Very high	98.4	Very high	13 Å²	13	36.5 Å²	36.5	5%	0.049	21%	0.209	C	C	.	.	H	α-helix	trans	-61	-27.2	-178.8	-67.2	-10.8	0	0	0	113.3	Y140 Q142 L147 V148 G149 S158 N228 Y229 I231 V234	Y140-W145 AromaticContact CD1-CZ2 3.75Å; Y140-W145 HydrophobicContact CD1-CZ2 3.75Å; Y140-W145 HydrophobicContact CD2-CZ2 4.15Å; Y140-W145 HydrophobicContact CE1-CZ2 4.4Å; Y140-W145 HydrophobicContact CG-CH2 4.38Å; Y140-W145 AromaticContact CG-CZ2 3.59Å; Y140-W145 HydrophobicContact CG-CZ2 3.59Å; Q142-W145 HydrophobicContact CB-CD2 4.23Å; Q142-W145 HydrophobicContact CB-CE3 4.03Å; Q142-W145 HydrophobicContact CB-CZ3 4.25Å; Q142-W145 HydrophobicContact CG-CD2 4.34Å; Q142-W145 HydrophobicContact CG-CE3 4.03Å; Q142-W145 HydrophobicContact CG-CH2 3.8Å; Q142-W145 HydrophobicContact CG-CZ2 4.1Å; Q142-W145 HydrophobicContact CG-CZ3 3.75Å; Q142-W145 VanDerWaalsContact O-CB 3.25Å; Q142-W145 WeakPolarHBondContact O-CB 3.45Å; Q142-W145 PolarHBondContact O-N 2.9Å; W145-L147 VanDerWaalsContact C-N 3.27Å; W145-L147 PolarHBondContact O-N 2.85Å; W145-V148 PolarHBondContact O-N 2.85Å; W145-G149 PolarHBondContact O-N 2.93Å; W145-S158 PolarHBondContact NE1-OG 3.3Å; W145-N228 WeakPolarHBondContact CB-O 3.37Å; W145-Y229 WeakPolarHBondContact CZ3-O 3.45Å; W145-I231 HydrophobicContact CH2-CB 4.19Å; W145-I231 HydrophobicContact CZ2-CB 4.01Å; W145-I231 HydrophobicContact CZ2-CD1 4.19Å; W145-V234 HydrophobicContact CB-CG2 3.91Å; W145-V234 HydrophobicContact CG-CG2 4.39Å; W145-V234 WeakPolarHBondContact O-CG2 3.49Å
146	T	98.7	Very high	98.4	Very high	8 Å²	8	37.1 Å²	37.1	5%	0.049	22%	0.219	C	C	.	.	H	α-helix	trans	-54.9	-41.9	167.1	-58.3	0	0	0	0	112.7	I144 K266 L270	I144-T146 PolarHBondContact O-N 2.76Å; T146-K266 HydrophobicContact CG2-CB 3.56Å; T146-K266 HydrophobicContact CG2-CD 4.03Å; T146-K266 HydrophobicContact CG2-CG 4.4Å; T146-L270 HydrophobicContact CG2-CD1 3.83Å
147	L	98.7	Very high	98.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-82.3	-26.7	179.3	-63.4	-175	0	0	0	112.1	I144 W145 A150 G151 A152 K153 L270 V441 Y474 K477 A478	I144-L147 HydrophobicContact CD1-CD1 3.95Å; I144-L147 WeakPolarHBondContact O-CA 3.31Å; I144-L147 WeakPolarHBondContact O-CB 3.47Å; I144-L147 PolarHBondContact O-N 2.81Å; W145-L147 VanDerWaalsContact C-N 3.27Å; W145-L147 PolarHBondContact O-N 2.85Å; L147-A150 CarbonylContact O-C 3.53Å; L147-A150 PolarHBondContact O-N 3.16Å; L147-G151 PolarHBondContact O-N 3.48Å; L147-A152 HydrophobicContact CB-CB 4.18Å; L147-A152 HydrophobicContact CD2-CB 4.48Å; L147-A152 PolarHBondContact O-N 2.85Å; L147-K153 HydrophobicContact CB-CB 4.07Å; L147-K153 HydrophobicContact CB-CG 3.75Å; L147-K153 HydrophobicContact CD1-CG 3.98Å; L147-K153 PolarHBondContact O-N 2.81Å; L147-L270 HydrophobicContact CD2-CD1 4.17Å; L147-V441 HydrophobicContact CD2-CG1 4.22Å; L147-V441 HydrophobicContact CD2-CG2 4.45Å; L147-Y474 HydrophobicContact CD2-CE2 4.37Å; L147-K477 HydrophobicContact CD1-CD 4.17Å; L147-A478 HydrophobicContact CD1-CB 3.83Å
148	V	98.8	Very high	98.1	Very high	5 Å²	5	32 Å²	32	3%	0.03	20%	0.197	C	C	.	.	H	α-helix	trans	-65.9	-49.3	172.3	177.6	0	0	0	0	110.7	I144 W145 A150 G151 K153 T155 V234 E235	I144-V148 HydrophobicContact CG2-CG2 4.29Å; I144-V148 PolarHBondContact O-N 3.29Å; W145-V148 PolarHBondContact O-N 2.85Å; V148-A150 PolarHBondContact O-N 2.87Å; V148-A150 VanDerWaalsContact O-N 3.09Å; V148-G151 PolarHBondContact O-N 2.97Å; V148-K153 WeakPolarHBondContact CA-O 3.4Å; V148-K153 HydrophobicContact CG2-CB 4.21Å; V148-T155 HydrophobicContact CG1-CG2 3.63Å; V148-V234 HydrophobicContact CB-CG2 3.83Å; V148-V234 HydrophobicContact CG1-CG1 4.13Å; V148-V234 HydrophobicContact CG1-CG2 3.77Å; V148-E235 HydrophobicContact CG1-CG 4.4Å
149	G	98.7	Very high	98.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.2	176.7	0	0	0	0	0	114.3	W145 N228 V234 W238	W145-G149 PolarHBondContact O-N 2.93Å; G149-N228 WeakPolarHBondContact CA-OD1 3.5Å; G149-V234 WeakPolarHBondContact CA-O 3.48Å; G149-W238 VanDerWaalsContact O-CA 3.28Å; G149-W238 WeakPolarHBondContact O-CA 3.43Å; G149-W238 PolarHBondContact O-N 2.91Å
150	A	98.6	Very high	98.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	7.3	173.1	0	0	0	0	0	113.4	L147 V148 A152 W238 I267 L270 Y444	L147-A150 CarbonylContact O-C 3.53Å; L147-A150 PolarHBondContact O-N 3.16Å; V148-A150 PolarHBondContact O-N 2.87Å; V148-A150 VanDerWaalsContact O-N 3.09Å; A150-A152 PolarHBondContact O-N 3.25Å; A150-W238 VanDerWaalsContact C-CE3 3.49Å; A150-I267 HydrophobicContact CB-CD1 3.95Å; A150-L270 HydrophobicContact CB-CB 3.83Å; A150-L270 HydrophobicContact CB-CD1 3.72Å; A150-L270 HydrophobicContact CB-CD2 4.33Å; A150-L270 HydrophobicContact CB-CG 4.18Å; A150-Y444 HydrophobicContact CB-CE1 4.19Å; A150-Y444 VanDerWaalsContact O-CE1 3.32Å; A150-Y444 WeakPolarHBondContact O-CE1 3.33Å; A150-Y444 PolarHBondContact O-OH 3.17Å
151	G	98.4	Very high	98.1	Very high	36 Å²	36	36.1 Å²	36.1	37%	0.371	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	12.4	178.2	0	0	0	0	0	115.7	L147 V148 W238	L147-G151 PolarHBondContact O-N 3.48Å; V148-G151 PolarHBondContact O-N 2.97Å; G151-W238 VanDerWaalsContact CA-CD2 3.43Å
152	A	98.1	Very high	98.1	Very high	37 Å²	37	35.2 Å²	35.2	31%	0.306	22%	0.221	S	C	.	.	S	Bend	trans	-91.2	-16.9	-179.7	0	0	0	0	0	113.7	L147 A150 Y444	L147-A152 HydrophobicContact CB-CB 4.18Å; L147-A152 HydrophobicContact CD2-CB 4.48Å; L147-A152 PolarHBondContact O-N 2.85Å; A150-A152 PolarHBondContact O-N 3.25Å; A152-Y444 HydrophobicContact CB-CD1 4.1Å; A152-Y444 HydrophobicContact CB-CE1 4.06Å
153	K	98.3	Very high	98.1	Very high	66 Å²	66	34.6 Å²	34.6	29%	0.287	23%	0.228	S	C	.	.	S	Bend	trans	-143.7	169.9	177.6	-64.7	-68.9	-176	179.3	0	109.6	I144 L147 V148 A478 D479	I144-K153 HydrophobicContact CD1-CG 3.95Å; I144-K153 HydrophobicContact CG1-CB 4Å; I144-K153 HydrophobicContact CG1-CG 3.91Å; L147-K153 HydrophobicContact CB-CB 4.07Å; L147-K153 HydrophobicContact CB-CG 3.75Å; L147-K153 HydrophobicContact CD1-CG 3.98Å; L147-K153 PolarHBondContact O-N 2.81Å; V148-K153 WeakPolarHBondContact CA-O 3.4Å; V148-K153 HydrophobicContact CG2-CB 4.21Å; K153-A478 WeakPolarHBondContact CE-O 3.41Å; K153-D479 IonicContact NZ-OD1 3.99Å; K153-D479 PolarHBondContact NZ-OD1 3.07Å
154	T	97.8	Very high	98.1	Very high	83 Å²	83	35.5 Å²	35.5	51%	0.509	24%	0.236	S	C	.	.			trans	-108.1	151.3	-179.9	63.6	0	0	0	0	112.1	A156 S157	T154-A156 VanDerWaalsContact C-N 3.28Å; T154-A156 PolarHBondContact O-N 2.95Å; T154-S157 PolarHBondContact O-N 3.17Å; T154-S157 PolarHBondContact O-OG 3.34Å; T154-S157 PolarHBondContact OG1-N 3.25Å
155	T	96.8	Very high	98.1	Very high	29 Å²	29	36 Å²	36	18%	0.178	24%	0.239	C	C	.	.	H	α-helix	trans	-55.3	-42.7	170.9	43.9	0	0	0	0	111.8	V148 S157 S158 I231 V234 E235	V148-T155 HydrophobicContact CG1-CG2 3.63Å; T155-S157 VanDerWaalsContact C-N 3.28Å; T155-S157 PolarHBondContact O-N 3.02Å; T155-S158 WeakPolarHBondContact O-CA 3.34Å; T155-S158 VanDerWaalsContact O-CB 3.26Å; T155-S158 WeakPolarHBondContact O-CB 3.49Å; T155-S158 PolarHBondContact O-N 3.08Å; T155-S158 PolarHBondContact O-OG 3.48Å; T155-I231 HydrophobicContact CG2-CD1 3.83Å; T155-V234 HydrophobicContact CG2-CG1 3.76Å; T155-E235 WeakPolarHBondContact CB-OE1 3.42Å; T155-E235 HydrophobicContact CG2-CG 3.53Å; T155-E235 WeakPolarHBondContact CG2-OE1 3.43Å; T155-E235 PolarHBondContact OG1-OE1 3.1Å
156	A	96.9	Very high	98.1	Very high	73 Å²	73	36.4 Å²	36.4	60%	0.603	24%	0.242	S	C	*	.	H	α-helix	trans	-55.1	-40.5	177.6	0	0	0	0	0	113	T154 S158 A159	T154-A156 VanDerWaalsContact C-N 3.28Å; T154-A156 PolarHBondContact O-N 2.95Å; A156-S158 PolarHBondContact O-N 2.88Å; A156-A159 PolarHBondContact O-N 3.11Å
157	S	94.9	Very high	98.1	Very high	61 Å²	61	36.8 Å²	36.8	43%	0.427	24%	0.244	S	C	.	.	H	α-helix	trans	-67.7	-16.8	177.4	73.4	0	0	0	0	114	T154 T155	T154-S157 PolarHBondContact O-N 3.17Å; T154-S157 PolarHBondContact O-OG 3.34Å; T154-S157 PolarHBondContact OG1-N 3.25Å; T155-S157 VanDerWaalsContact C-N 3.28Å; T155-S157 PolarHBondContact O-N 3.02Å
158	S	97.3	Very high	98.1	Very high	0 Å²	0	41 Å²	41	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-86.2	-13.8	177.7	82.2	0	0	0	0	113.4	Y140 Y141 W145 T155 A156 W486	Y140-S158 CarbonylContact C-O 3.49Å; Y140-S158 VanDerWaalsContact CA-O 3.28Å; Y140-S158 WeakPolarHBondContact CA-O 3.23Å; Y141-S158 PolarHBondContact N-O 3.39Å; W145-S158 PolarHBondContact NE1-OG 3.3Å; T155-S158 WeakPolarHBondContact O-CA 3.34Å; T155-S158 VanDerWaalsContact O-CB 3.26Å; T155-S158 WeakPolarHBondContact O-CB 3.49Å; T155-S158 PolarHBondContact O-N 3.08Å; T155-S158 PolarHBondContact O-OG 3.48Å; A156-S158 PolarHBondContact O-N 2.88Å; S158-W486 WeakPolarHBondContact O-CZ2 3.48Å
159	A	98.1	Very high	98	Very high	31 Å²	31	43.3 Å²	43.3	26%	0.256	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	143.5	-166.3	0	0	0	0	0	112.2	V138 H139 Y140 A156	V138-A159 HydrophobicContact CG1-CB 3.78Å; H139-A159 WeakPolarHBondContact O-CA 3.46Å; Y140-A159 HydrophobicContact CD1-CB 3.8Å; Y140-A159 HydrophobicContact CE1-CB 3.61Å; A156-A159 PolarHBondContact O-N 3.11Å
160	R	98.6	Very high	98	Very high	82 Å²	82	43.9 Å²	43.9	31%	0.309	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149.5	162.9	-67.3	-169	-177.9	-172.5	1.7	109.4	H139 T162 V165 W486 H487	H139-R160 PolarHBondContact N-O 3.35Å; H139-R160 PolarHBondContact O-N 3.41Å; R160-T162 PolarHBondContact O-N 3.4Å; R160-V165 HydrophobicContact CB-CG1 3.99Å; R160-W486 HydrophobicContact CB-CH2 4.11Å; R160-W486 HydrophobicContact CB-CZ3 4.06Å; R160-W486 HydrophobicContact CG-CD2 4.4Å; R160-W486 HydrophobicContact CG-CE3 4.18Å; R160-W486 HydrophobicContact CG-CH2 3.88Å; R160-W486 HydrophobicContact CG-CZ2 4.08Å; R160-W486 HydrophobicContact CG-CZ3 3.93Å; R160-H487 PolarHBondContact NH2-NE2 3.2Å
161	P	98.8	Very high	98	Very high	83 Å²	83	48.6 Å²	48.6	54%	0.539	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55	133.5	170	-23.9	33.6	0	0	0	110.4	E137 A163 S164	E137-P161 CarbonylContact O-C 3.56Å; E137-P161 WeakPolarHBondContact O-CA 3.38Å; P161-A163 PolarHBondContact O-N 3.37Å; P161-S164 WeakPolarHBondContact O-CB 3.42Å; P161-S164 PolarHBondContact O-N 3.4Å; P161-S164 PolarHBondContact O-OG 3.16Å
162	T	98.9	Very high	98	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	32%	0.315	C	S	.	.	H	α-helix	trans	-54.1	-41	179	-63.3	0	0	0	0	111	E134 S136 E137 V138 H139 R160 S164 V165 M166 W172	E134-T162 HydrophobicContact CG-CG2 4.1Å; S136-T162 VanDerWaalsContact O-CB 3.31Å; S136-T162 WeakPolarHBondContact O-CB 3.27Å; S136-T162 PolarHBondContact O-OG1 3.32Å; E137-T162 PolarHBondContact O-N 2.79Å; E137-T162 PolarHBondContact O-OG1 3.2Å; V138-T162 PolarHBondContact N-OG1 3.21Å; H139-T162 PolarHBondContact N-OG1 2.95Å; R160-T162 PolarHBondContact O-N 3.4Å; T162-S164 PolarHBondContact O-N 2.85Å; T162-V165 VanDerWaalsContact O-CG2 3.23Å; T162-V165 WeakPolarHBondContact O-CG2 3.44Å; T162-V165 PolarHBondContact O-N 3.11Å; T162-V165 VanDerWaalsContact O-N 3.12Å; T162-M166 HydrophobicContact CG2-CE 4.11Å; T162-M166 PolarHBondContact O-N 3.45Å; T162-W172 HydrophobicContact CG2-CD2 4.41Å; T162-W172 HydrophobicContact CG2-CH2 4.32Å; T162-W172 HydrophobicContact CG2-CZ2 3.81Å
163	A	98.7	Very high	98	Very high	60 Å²	60	48.9 Å²	48.9	50%	0.496	31%	0.306	S	S	.	.	H	α-helix	trans	-54.9	-37	174.3	0	0	0	0	0	113.5	P161 V165 W172	P161-A163 PolarHBondContact O-N 3.37Å; A163-V165 VanDerWaalsContact C-N 3.29Å; A163-V165 PolarHBondContact O-N 3.22Å; A163-W172 HydrophobicContact CB-CE3 4.24Å; A163-W172 HydrophobicContact CB-CZ3 3.86Å
164	S	98.6	Very high	98	Very high	74 Å²	74	50.6 Å²	50.6	52%	0.517	31%	0.314	S	S	.	.	H	α-helix	trans	-74.6	-18.8	-177.5	75.5	0	0	0	0	113.9	P161 T162	P161-S164 WeakPolarHBondContact O-CB 3.42Å; P161-S164 PolarHBondContact O-N 3.4Å; P161-S164 PolarHBondContact O-OG 3.16Å; T162-S164 PolarHBondContact O-N 2.85Å
165	V	98.7	Very high	98	Very high	15 Å²	15	47.2 Å²	47.2	9%	0.091	29%	0.294	C	S	.	.	H	α-helix	trans	-107	-11.3	178.3	-60.7	0	0	0	0	112.7	I115 H139 R160 T162 A163 W486 L490	I115-V165 HydrophobicContact CD1-CG2 4.49Å; I115-V165 HydrophobicContact CG1-CG2 4.49Å; I115-V165 VanDerWaalsContact CG2-O 3.28Å; I115-V165 WeakPolarHBondContact CG2-O 3.35Å; H139-V165 HydrophobicContact CB-CG2 3.74Å; R160-V165 HydrophobicContact CB-CG1 3.99Å; T162-V165 VanDerWaalsContact O-CG2 3.23Å; T162-V165 WeakPolarHBondContact O-CG2 3.44Å; T162-V165 PolarHBondContact O-N 3.11Å; T162-V165 VanDerWaalsContact O-N 3.12Å; A163-V165 VanDerWaalsContact C-N 3.29Å; A163-V165 PolarHBondContact O-N 3.22Å; V165-W486 HydrophobicContact CG1-CE3 4.03Å; V165-W486 HydrophobicContact CG1-CZ3 3.87Å; V165-L490 HydrophobicContact CB-CD1 3.92Å; V165-L490 HydrophobicContact CG1-CD1 3.93Å
166	M	98.8	Very high	98.1	Very high	21 Å²	21	51.7 Å²	51.7	10%	0.103	31%	0.311	C	S	.	.	S	Bend	trans	-59.7	129.3	171.7	-166.1	60.5	61.5	0	0	109.7	I115 V132 T162 S168 V170 W172	I115-M166 HydrophobicContact CD1-CE 3.77Å; I115-M166 HydrophobicContact CD1-SD 3.92Å; V132-M166 HydrophobicContact CB-CE 3.96Å; V132-M166 HydrophobicContact CB-SD 3.94Å; V132-M166 HydrophobicContact CG1-CE 4.15Å; V132-M166 HydrophobicContact CG2-CE 4.36Å; V132-M166 HydrophobicContact CG2-SD 3.72Å; T162-M166 HydrophobicContact CG2-CE 4.11Å; T162-M166 PolarHBondContact O-N 3.45Å; M166-S168 PolarHBondContact O-N 2.79Å; M166-V170 HydrophobicContact SD-CG1 4.17Å; M166-W172 HydrophobicContact CE-CB 3.86Å; M166-W172 HydrophobicContact CE-CD2 4.38Å; M166-W172 HydrophobicContact CE-CG 3.73Å; M166-W172 HydrophobicContact CG-CB 4.29Å; M166-W172 HydrophobicContact SD-CB 4.47Å
167	P	98.6	Very high	98.1	Very high	16 Å²	16	48.6 Å²	48.6	10%	0.104	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-60.1	133.4	178.3	-21	32.2	0	0	0	110.5	A119 K122 G169 V170	A119-P167 HydrophobicContact CB-CB 4.34Å; A119-P167 HydrophobicContact CB-CG 3.86Å; K122-P167 HydrophobicContact CD-CB 4.05Å; P167-G169 PolarHBondContact O-N 3.42Å; P167-V170 HydrophobicContact CB-CB 4.36Å; P167-V170 HydrophobicContact CB-CG2 3.81Å; P167-V170 HydrophobicContact CG-CG2 4.34Å; P167-V170 VanDerWaalsContact O-CB 3.3Å; P167-V170 WeakPolarHBondContact O-CB 3.37Å; P167-V170 PolarHBondContact O-N 3.31Å
168	S	98	Very high	98.3	Very high	89 Å²	89	50.2 Å²	50.2	62%	0.622	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	135.5	-174.6	56.6	0	0	0	0	112.5	K122 M166 V170	K122-S168 WeakPolarHBondContact CD-O 3.2Å; K122-S168 WeakPolarHBondContact CE-O 3.49Å; K122-S168 PolarHBondContact NZ-O 3.47Å; K122-S168 PolarHBondContact NZ-OG 2.83Å; M166-S168 PolarHBondContact O-N 2.79Å; S168-V170 PolarHBondContact O-N 2.74Å
169	G	97.6	Very high	98.3	Very high	53 Å²	53	54.9 Å²	54.9	55%	0.546	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	-14	-177.3	0	0	0	0	0	115.4	P167	P167-G169 PolarHBondContact O-N 3.42Å
170	V	98.4	Very high	98.3	Very high	11 Å²	11	53.7 Å²	53.7	7%	0.067	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-72.5	135.8	173.8	172.6	0	0	0	0	109.2	K122 V130 V132 M166 P167 S168 W172	K122-V170 HydrophobicContact CB-CG2 4.02Å; K122-V170 HydrophobicContact CD-CG2 4.18Å; K122-V170 HydrophobicContact CG-CG2 4.36Å; V130-V170 HydrophobicContact CB-CG1 4.15Å; V130-V170 HydrophobicContact CB-CG2 4.17Å; V130-V170 HydrophobicContact CG1-CG1 3.91Å; V130-V170 HydrophobicContact CG1-CG2 4.38Å; V130-V170 WeakPolarHBondContact O-CG1 3.31Å; V132-V170 HydrophobicContact CG2-CG1 3.84Å; M166-V170 HydrophobicContact SD-CG1 4.17Å; P167-V170 HydrophobicContact CB-CB 4.36Å; P167-V170 HydrophobicContact CB-CG2 3.81Å; P167-V170 HydrophobicContact CG-CG2 4.34Å; P167-V170 VanDerWaalsContact O-CB 3.3Å; P167-V170 WeakPolarHBondContact O-CB 3.37Å; P167-V170 PolarHBondContact O-N 3.31Å; S168-V170 PolarHBondContact O-N 2.74Å; V170-W172 PolarHBondContact O-N 3.38Å
171	K	98.3	Very high	98.3	Very high	99 Å²	99	52.4 Å²	52.4	43%	0.43	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	119.6	178.8	178.2	63.9	175.1	179.1	0	110.5	Y103 V130 A131 V132 V173	Y103-K171 HydrophobicContact CE1-CB 4.01Å; Y103-K171 HydrophobicContact CE1-CG 4.37Å; Y103-K171 WeakPolarHBondContact OH-CG 3.42Å; V130-K171 PolarHBondContact O-N 2.83Å; V130-K171 VanDerWaalsContact O-N 3.14Å; A131-K171 CarbonylContact C-O 3.54Å; A131-K171 VanDerWaalsContact CA-O 3.29Å; A131-K171 WeakPolarHBondContact CA-O 3.39Å; A131-K171 HydrophobicContact CB-CB 4.12Å; A131-K171 HydrophobicContact CB-CG 4.48Å; V132-K171 PolarHBondContact N-O 3.41Å; K171-V173 HydrophobicContact CG-CG2 4.04Å
172	W	98.5	Very high	98.3	Very high	60 Å²	60	48.5 Å²	48.5	23%	0.227	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	116.4	163.1	-176.3	18.7	0	0	0	109.6	E134 S136 T162 A163 M166 V170 K174	E134-W172 PolarHBondContact O-NE1 3.43Å; S136-W172 WeakPolarHBondContact O-CZ2 3.31Å; T162-W172 HydrophobicContact CG2-CD2 4.41Å; T162-W172 HydrophobicContact CG2-CH2 4.32Å; T162-W172 HydrophobicContact CG2-CZ2 3.81Å; A163-W172 HydrophobicContact CB-CE3 4.24Å; A163-W172 HydrophobicContact CB-CZ3 3.86Å; M166-W172 HydrophobicContact CE-CB 3.86Å; M166-W172 HydrophobicContact CE-CD2 4.38Å; M166-W172 HydrophobicContact CE-CG 3.73Å; M166-W172 HydrophobicContact CG-CB 4.29Å; M166-W172 HydrophobicContact SD-CB 4.47Å; V170-W172 PolarHBondContact O-N 3.38Å; W172-K174 HydrophobicContact CD2-CB 4.34Å; W172-K174 HydrophobicContact CH2-CD 3.93Å; W172-K174 HydrophobicContact CH2-CG 4.2Å; W172-K174 HydrophobicContact CZ2-CB 4.07Å; W172-K174 HydrophobicContact CZ2-CD 3.86Å; W172-K174 HydrophobicContact CZ2-CG 3.61Å
173	V	98.1	Very high	98.3	Very high	19 Å²	19	53.9 Å²	53.9	12%	0.115	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	101.5	167.3	-177.8	0	0	0	0	106.6	A131 V132 V133 E134 K171 S175 I195	A131-V173 HydrophobicContact CB-CG2 4.38Å; V132-V173 PolarHBondContact O-N 3.35Å; V133-V173 WeakPolarHBondContact CA-O 3.49Å; V133-V173 HydrophobicContact CG2-CB 4.13Å; V133-V173 HydrophobicContact CG2-CG1 4.38Å; E134-V173 PolarHBondContact N-O 3Å; K171-V173 HydrophobicContact CG-CG2 4.04Å; V173-S175 PolarHBondContact O-N 3.39Å; V173-I195 HydrophobicContact CG1-CD1 3.94Å; V173-I195 HydrophobicContact CG2-CD1 4.32Å
174	K	97.9	Very high	98.2	Very high	102 Å²	102	58.2 Å²	58.2	44%	0.443	31%	0.305	S	S	.	.			trans	-82.8	70.8	-176.5	-170	-172.5	171.6	-165	0	110.6	E134 E137 W172	E134-K174 WeakPolarHBondContact O-CA 3.41Å; E137-K174 VanDerWaalsContact CG-CE 3.45Å; E137-K174 IonicContact OE1-NZ 2.81Å; E137-K174 PolarHBondContact OE1-NZ 3.33Å; W172-K174 HydrophobicContact CD2-CB 4.34Å; W172-K174 HydrophobicContact CH2-CD 3.93Å; W172-K174 HydrophobicContact CH2-CG 4.2Å; W172-K174 HydrophobicContact CZ2-CB 4.07Å; W172-K174 HydrophobicContact CZ2-CD 3.86Å; W172-K174 HydrophobicContact CZ2-CG 3.61Å
175	S	97.7	Very high	98.2	Very high	13 Å²	13	57.3 Å²	57.3	9%	0.091	29%	0.294	C	S	.	.	S	Bend	trans	-143.7	159.6	-175.1	-56.7	0	0	0	0	109.3	V133 E134 P135 V173 D190	V133-S175 VanDerWaalsContact CG1-O 3.27Å; V133-S175 WeakPolarHBondContact CG1-O 3.42Å; E134-S175 CarbonylContact C-O 3.47Å; P135-S175 WeakPolarHBondContact CD-O 3.35Å; V173-S175 PolarHBondContact O-N 3.39Å; S175-D190 WeakPolarHBondContact CA-OD1 3.46Å; S175-D190 WeakPolarHBondContact CB-OD1 3.41Å
176	K	98	Very high	98.2	Very high	123 Å²	123	57.2 Å²	57.2	54%	0.535	29%	0.294	S	S	.	.			trans	-92.7	138	171.7	-170.8	-179.7	174.8	-176.6	0	109.6	P135 Q178 V189 D190	P135-K176 HydrophobicContact CB-CB 4.25Å; P135-K176 HydrophobicContact CG-CB 4.3Å; P135-K176 HydrophobicContact CG-CG 4.49Å; K176-Q178 PolarHBondContact O-N 3.48Å; K176-V189 CarbonylContact O-C 3.27Å; K176-V189 VanDerWaalsContact O-CA 3.28Å; K176-V189 WeakPolarHBondContact O-CA 3.25Å; K176-V189 WeakPolarHBondContact O-CB 3.4Å; K176-D190 HydrophobicContact CB-CB 4.12Å; K176-D190 WeakPolarHBondContact CB-OD2 3.46Å; K176-D190 VanDerWaalsContact N-CG 3.26Å; K176-D190 PolarHBondContact N-OD1 3.36Å; K176-D190 PolarHBondContact N-OD2 3.24Å; K176-D190 VanDerWaalsContact N-OD2 3.16Å; K176-D190 PolarHBondContact O-N 2.91Å
177	V	98.3	Very high	98.2	Very high	8 Å²	8	56.2 Å²	56.2	5%	0.048	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	131	170	-173.3	0	0	0	0	109.2	L108 V133 I180 V187 L204 V362	L108-V177 HydrophobicContact CB-CG2 4.24Å; L108-V177 HydrophobicContact CD1-CG1 4.36Å; L108-V177 HydrophobicContact CD1-CG2 4.31Å; L108-V177 HydrophobicContact CD2-CG2 3.91Å; L108-V177 HydrophobicContact CG-CG2 4.37Å; V133-V177 HydrophobicContact CB-CG2 4.16Å; V133-V177 HydrophobicContact CG1-CG2 3.71Å; V177-I180 HydrophobicContact CG1-CG1 4.04Å; V177-V187 HydrophobicContact CG1-CG1 3.58Å; V177-V187 HydrophobicContact CG2-CG1 4.36Å; V177-L204 HydrophobicContact CG2-CD2 4.38Å; V177-V362 HydrophobicContact CB-CG1 4.28Å; V177-V362 HydrophobicContact CG1-CG1 3.6Å; V177-V362 WeakPolarHBondContact O-CG2 3.25Å
178	Q	97.7	Very high	98.2	Very high	94 Å²	94	57.2 Å²	57.2	44%	0.439	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-53.4	172.9	-73.2	-169.7	-21.1	0	0	111.3	K176 L188 D190	K176-Q178 PolarHBondContact O-N 3.48Å; Q178-L188 HydrophobicContact CB-CG 4.45Å; Q178-L188 PolarHBondContact N-O 3.03Å; Q178-D190 VanDerWaalsContact CD-CA 3.49Å; Q178-D190 HydrophobicContact CG-CB 4.05Å
179	E	98.1	Very high	98.2	Very high	99 Å²	99	53 Å²	53	46%	0.463	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	152.6	-175.7	-59.3	-175.8	-160.4	0	0	111.4	H181 V187 L188	E179-H181 IonicContact OE2-CE1 3.83Å; E179-H181 PolarHBondContact OE2-CE1 3.33Å; E179-H181 IonicContact OE2-NE2 2.78Å; E179-H181 PolarHBondContact OE2-NE2 3.34Å; E179-V187 WeakPolarHBondContact O-CA 3.41Å; E179-L188 HydrophobicContact CB-CB 4.08Å; E179-L188 HydrophobicContact CG-CD2 4.39Å; E179-L188 PolarHBondContact N-O 3.43Å; E179-L188 PolarHBondContact O-N 2.99Å
180	I	98.6	Very high	98.1	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.026	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	120.9	176.2	-53.3	169.8	0	0	0	107.6	L108 V177 P182 V187 L200 V362 L368	L108-I180 HydrophobicContact CD1-CD1 3.61Å; L108-I180 HydrophobicContact CD1-CG1 3.92Å; V177-I180 HydrophobicContact CG1-CG1 4.04Å; I180-P182 WeakPolarHBondContact O-CD 3.4Å; I180-V187 HydrophobicContact CG2-CG2 4.33Å; I180-L200 HydrophobicContact CG2-CD2 3.96Å; I180-V362 HydrophobicContact CD1-CG1 3.8Å; I180-V362 HydrophobicContact CG1-CG1 3.82Å; I180-L368 HydrophobicContact CB-CD1 4.49Å; I180-L368 HydrophobicContact CD1-CD1 4.27Å; I180-L368 HydrophobicContact CG2-CD1 3.7Å; I180-L368 HydrophobicContact CG2-CG 4.47Å
181	H	98.4	Very high	97.7	Very high	55 Å²	55	57.8 Å²	57.8	26%	0.255	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	80.4	179.9	-56.6	-61.7	0	0	0	110	E179 D183 K184 N185 T186	E179-H181 IonicContact OE2-CE1 3.83Å; E179-H181 PolarHBondContact OE2-CE1 3.33Å; E179-H181 IonicContact OE2-NE2 2.78Å; E179-H181 PolarHBondContact OE2-NE2 3.34Å; H181-D183 VanDerWaalsContact C-N 3.28Å; H181-D183 PolarHBondContact O-N 3.38Å; H181-K184 HydrophobicContact CB-CB 4.24Å; H181-K184 HydrophobicContact CB-CD 4.48Å; H181-K184 CarbonylContact O-C 3.58Å; H181-K184 PolarHBondContact O-N 2.82Å; H181-K184 VanDerWaalsContact O-N 3.08Å; H181-N185 PolarHBondContact O-N 3.17Å; H181-T186 PolarHBondContact N-O 3.11Å; H181-T186 PolarHBondContact O-N 2.9Å; H181-T186 VanDerWaalsContact O-N 3.17Å
182	P	98.3	Very high	97.5	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.013	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-25.6	-173	30.1	-37.6	0	0	0	113.8	I180 K184 N185 Y197 P367 L368 Y387	I180-P182 WeakPolarHBondContact O-CD 3.4Å; P182-K184 PolarHBondContact O-N 2.79Å; P182-N185 PolarHBondContact O-N 2.91Å; P182-N185 PolarHBondContact O-OD1 2.72Å; P182-Y197 WeakPolarHBondContact CA-OH 3.46Å; P182-P367 HydrophobicContact CG-CB 3.88Å; P182-P367 HydrophobicContact CG-CG 4.03Å; P182-L368 HydrophobicContact CB-CD2 3.63Å; P182-L368 HydrophobicContact CB-CG 4.25Å; P182-L368 HydrophobicContact CG-CD2 3.75Å; P182-L368 HydrophobicContact CG-CG 4.07Å; P182-Y387 HydrophobicContact CB-CD1 3.79Å; P182-Y387 HydrophobicContact CB-CD2 3.98Å; P182-Y387 HydrophobicContact CB-CE1 3.73Å; P182-Y387 HydrophobicContact CB-CE2 3.92Å; P182-Y387 HydrophobicContact CB-CG 3.92Å; P182-Y387 HydrophobicContact CG-CD1 4.41Å; P182-Y387 HydrophobicContact CG-CD2 4.17Å; P182-Y387 HydrophobicContact CG-CE1 3.91Å; P182-Y387 HydrophobicContact CG-CE2 3.63Å; P182-Y387 VanDerWaalsContact CG-CZ 3.49Å
183	D	98.2	Very high	97.4	Very high	113 Å²	113	54.6 Å²	54.6	60%	0.604	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-24.7	174.6	-53.4	-54.8	0	0	0	112.5	H181 Y387	H181-D183 VanDerWaalsContact C-N 3.28Å; H181-D183 PolarHBondContact O-N 3.38Å; D183-Y387 WeakPolarHBondContact OD1-CE1 3.28Å; D183-Y387 PolarHBondContact OD1-OH 2.83Å; D183-Y387 PolarHBondContact OD2-OH 2.97Å
184	K	98	Very high	97.4	Very high	151 Å²	151	58 Å²	58	66%	0.657	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-6.5	177.2	-62.5	-179.3	-178.5	176.7	0	113	H181 P182 T186	H181-K184 HydrophobicContact CB-CB 4.24Å; H181-K184 HydrophobicContact CB-CD 4.48Å; H181-K184 CarbonylContact O-C 3.58Å; H181-K184 PolarHBondContact O-N 2.82Å; H181-K184 VanDerWaalsContact O-N 3.08Å; P182-K184 PolarHBondContact O-N 2.79Å; K184-T186 VanDerWaalsContact C-N 3.33Å; K184-T186 HydrophobicContact CB-CG2 4.36Å
185	N	98.7	Very high	97.4	Very high	56 Å²	56	53.5 Å²	53.5	30%	0.299	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	44.9	-169.8	-56.7	-56.1	0	0	0	113.5	H181 P182 S196 Y197 N389	H181-N185 PolarHBondContact O-N 3.17Å; P182-N185 PolarHBondContact O-N 2.91Å; P182-N185 PolarHBondContact O-OD1 2.72Å; N185-S196 CarbonylContact O-C 3.15Å; N185-S196 VanDerWaalsContact O-CA 3.28Å; N185-S196 WeakPolarHBondContact O-CA 3.3Å; N185-Y197 VanDerWaalsContact CA-CZ 3.49Å; N185-Y197 HydrophobicContact CB-CD2 4.03Å; N185-Y197 HydrophobicContact CB-CE2 3.76Å; N185-Y197 WeakPolarHBondContact CB-O 3.5Å; N185-Y197 VanDerWaalsContact O-CD1 3.31Å; N185-Y197 WeakPolarHBondContact O-CD1 3.45Å; N185-Y197 PolarHBondContact O-N 3.26Å; N185-N389 PolarHBondContact OD1-ND2 3.23Å
186	T	98.5	Very high	97.4	Very high	13 Å²	13	54.6 Å²	54.6	8%	0.08	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	158.7	179.6	61.5	0	0	0	0	113.4	H181 K184 E194 I195	H181-T186 PolarHBondContact N-O 3.11Å; H181-T186 PolarHBondContact O-N 2.9Å; H181-T186 VanDerWaalsContact O-N 3.17Å; K184-T186 VanDerWaalsContact C-N 3.33Å; K184-T186 HydrophobicContact CB-CG2 4.36Å; T186-E194 WeakPolarHBondContact CB-OE1 3.28Å; T186-E194 HydrophobicContact CG2-CG 3.94Å; T186-E194 WeakPolarHBondContact CG2-OE1 3.38Å; T186-E194 PolarHBondContact OG1-OE1 2.99Å; T186-I195 CarbonylContact C-O 3.53Å; T186-I195 WeakPolarHBondContact CA-O 3.38Å
187	V	98.6	Very high	97.5	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	126.8	176	176.9	0	0	0	0	108.9	L106 L108 V177 E179 I180 V189 E194 I195 Y197 L200	L106-V187 HydrophobicContact CD2-CB 3.96Å; L106-V187 HydrophobicContact CD2-CG2 3.7Å; L108-V187 HydrophobicContact CD1-CG1 4.41Å; L108-V187 HydrophobicContact CD1-CG2 4.12Å; L108-V187 HydrophobicContact CD2-CG1 4.03Å; L108-V187 HydrophobicContact CD2-CG2 4.16Å; V177-V187 HydrophobicContact CG1-CG1 3.58Å; V177-V187 HydrophobicContact CG2-CG1 4.36Å; E179-V187 WeakPolarHBondContact O-CA 3.41Å; I180-V187 HydrophobicContact CG2-CG2 4.33Å; V187-V189 HydrophobicContact CG1-CG1 4.46Å; V187-E194 WeakPolarHBondContact O-CA 3.21Å; V187-I195 PolarHBondContact N-O 3.35Å; V187-I195 PolarHBondContact O-N 3.11Å; V187-Y197 HydrophobicContact CG2-CD1 4.12Å; V187-Y197 HydrophobicContact CG2-CE1 3.85Å; V187-L200 HydrophobicContact CG2-CD1 4.21Å
188	L	98.1	Very high	97.5	Very high	37 Å²	37	52.5 Å²	52.5	19%	0.194	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	130.3	172.3	-175.8	66.3	0	0	0	109.4	Q178 E179 G192	Q178-L188 HydrophobicContact CB-CG 4.45Å; Q178-L188 PolarHBondContact N-O 3.03Å; E179-L188 HydrophobicContact CB-CB 4.08Å; E179-L188 HydrophobicContact CG-CD2 4.39Å; E179-L188 PolarHBondContact N-O 3.43Å; E179-L188 PolarHBondContact O-N 2.99Å; L188-G192 WeakPolarHBondContact CD1-O 3Å
189	V	97.8	Very high	97.5	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	168.9	174.2	-60.9	0	0	0	0	111.9	V133 K176 V187 D191 G192 T193 I195	V133-V189 HydrophobicContact CG1-CG1 3.8Å; V133-V189 HydrophobicContact CG2-CG1 4.45Å; K176-V189 CarbonylContact O-C 3.27Å; K176-V189 VanDerWaalsContact O-CA 3.28Å; K176-V189 WeakPolarHBondContact O-CA 3.25Å; K176-V189 WeakPolarHBondContact O-CB 3.4Å; V187-V189 HydrophobicContact CG1-CG1 4.46Å; V189-D191 VanDerWaalsContact CG2-OD1 3.3Å; V189-D191 WeakPolarHBondContact CG2-OD1 3.49Å; V189-D191 PolarHBondContact O-N 3.47Å; V189-D191 VanDerWaalsContact O-N 3.15Å; V189-G192 PolarHBondContact O-N 2.81Å; V189-T193 VanDerWaalsContact CG2-O 3.31Å; V189-T193 WeakPolarHBondContact CG2-O 3.4Å; V189-T193 PolarHBondContact N-O 2.99Å; V189-I195 HydrophobicContact CG1-CD1 4Å; V189-I195 HydrophobicContact CG2-CD1 4.43Å
190	D	95.4	Very high	97.6	Very high	77 Å²	77	45.5 Å²	45.5	41%	0.412	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-15.3	-168.2	60.2	-11.8	0	0	0	117.4	S175 K176 Q178 G192	S175-D190 WeakPolarHBondContact CA-OD1 3.46Å; S175-D190 WeakPolarHBondContact CB-OD1 3.41Å; K176-D190 HydrophobicContact CB-CB 4.12Å; K176-D190 WeakPolarHBondContact CB-OD2 3.46Å; K176-D190 VanDerWaalsContact N-CG 3.26Å; K176-D190 PolarHBondContact N-OD1 3.36Å; K176-D190 PolarHBondContact N-OD2 3.24Å; K176-D190 VanDerWaalsContact N-OD2 3.16Å; K176-D190 PolarHBondContact O-N 2.91Å; Q178-D190 VanDerWaalsContact CD-CA 3.49Å; Q178-D190 HydrophobicContact CG-CB 4.05Å; D190-G192 VanDerWaalsContact C-N 3.31Å
191	D	91.6	Very high	97.6	Very high	86 Å²	86	45.2 Å²	45.2	46%	0.46	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	5.9	171.2	69	11.8	0	0	0	113.8	V189 T193	V189-D191 VanDerWaalsContact CG2-OD1 3.3Å; V189-D191 WeakPolarHBondContact CG2-OD1 3.49Å; V189-D191 PolarHBondContact O-N 3.47Å; V189-D191 VanDerWaalsContact O-N 3.15Å; D191-T193 VanDerWaalsContact C-N 3.33Å; D191-T193 WeakPolarHBondContact OD1-CB 3.46Å; D191-T193 PolarHBondContact OD1-N 2.82Å; D191-T193 PolarHBondContact OD1-OG1 2.84Å
192	G	94.2	Very high	97.6	Very high	52 Å²	52	42.6 Å²	42.6	54%	0.536	23%	0.229	S	C	.	.	S	Bend	trans	84	0.5	-178.2	0	0	0	0	0	114.4	L188 V189 D190	L188-G192 WeakPolarHBondContact CD1-O 3Å; V189-G192 PolarHBondContact O-N 2.81Å; D190-G192 VanDerWaalsContact C-N 3.31Å
193	T	95.6	Very high	97.6	Very high	40 Å²	40	43 Å²	43	25%	0.245	23%	0.232	C	C	.	.			trans	-72	132.9	177.2	-54.2	0	0	0	0	110.8	V189 D191 I195	V189-T193 VanDerWaalsContact CG2-O 3.31Å; V189-T193 WeakPolarHBondContact CG2-O 3.4Å; V189-T193 PolarHBondContact N-O 2.99Å; D191-T193 VanDerWaalsContact C-N 3.33Å; D191-T193 WeakPolarHBondContact OD1-CB 3.46Å; D191-T193 PolarHBondContact OD1-N 2.82Å; D191-T193 PolarHBondContact OD1-OG1 2.84Å; T193-I195 HydrophobicContact CG2-CG1 4.25Å
194	E	97.2	Very high	97.7	Very high	91 Å²	91	39.6 Å²	39.6	43%	0.425	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.6	169.8	-168.2	170.6	-156.2	0	0	110	T186 V187	T186-E194 WeakPolarHBondContact CB-OE1 3.28Å; T186-E194 HydrophobicContact CG2-CG 3.94Å; T186-E194 WeakPolarHBondContact CG2-OE1 3.38Å; T186-E194 PolarHBondContact OG1-OE1 2.99Å; V187-E194 WeakPolarHBondContact O-CA 3.21Å
195	I	98.4	Very high	97.7	Very high	7 Å²	7	33.3 Å²	33.3	4%	0.036	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	116.3	-178.7	-52.3	174.3	0	0	0	108.4	Y103 L106 V133 V173 T186 V187 V189 T193	Y103-I195 HydrophobicContact CD2-CG2 3.79Å; Y103-I195 HydrophobicContact CE2-CG2 4.02Å; L106-I195 HydrophobicContact CD1-CG2 4.02Å; L106-I195 HydrophobicContact CD2-CB 4.29Å; L106-I195 HydrophobicContact CD2-CG2 3.96Å; V133-I195 HydrophobicContact CG2-CD1 4.24Å; V173-I195 HydrophobicContact CG1-CD1 3.94Å; V173-I195 HydrophobicContact CG2-CD1 4.32Å; T186-I195 CarbonylContact C-O 3.53Å; T186-I195 WeakPolarHBondContact CA-O 3.38Å; V187-I195 PolarHBondContact N-O 3.35Å; V187-I195 PolarHBondContact O-N 3.11Å; V189-I195 HydrophobicContact CG1-CD1 4Å; V189-I195 HydrophobicContact CG2-CD1 4.43Å; T193-I195 HydrophobicContact CG2-CG1 4.25Å
196	S	98.7	Very high	97.6	Very high	36 Å²	36	31.8 Å²	31.8	25%	0.252	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	156.2	176.4	63.5	0	0	0	0	112.6	Q101 H102 Y103 N185	Q101-S196 PolarHBondContact O-N 2.91Å; Q101-S196 PolarHBondContact O-OG 3.47Å; H102-S196 WeakPolarHBondContact CA-O 3.17Å; H102-S196 WeakPolarHBondContact CA-OG 3.26Å; H102-S196 VanDerWaalsContact CB-OG 3.3Å; H102-S196 WeakPolarHBondContact CB-OG 3.3Å; H102-S196 PolarHBondContact ND1-OG 2.9Å; Y103-S196 PolarHBondContact N-O 2.7Å; Y103-S196 VanDerWaalsContact N-O 3.07Å; N185-S196 CarbonylContact O-C 3.15Å; N185-S196 VanDerWaalsContact O-CA 3.28Å; N185-S196 WeakPolarHBondContact O-CA 3.3Å
197	Y	98.8	Very high	97.6	Very high	5 Å²	5	33.8 Å²	33.8	2%	0.02	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	152.7	180	60.2	-100.3	0	0	0	114	Y103 L106 P182 N185 V187 L200	Y103-Y197 WeakPolarHBondContact O-CA 3.43Å; L106-Y197 HydrophobicContact CB-CD1 4.48Å; L106-Y197 HydrophobicContact CB-CG 4.38Å; L106-Y197 HydrophobicContact CD2-CD1 3.99Å; P182-Y197 WeakPolarHBondContact CA-OH 3.46Å; N185-Y197 VanDerWaalsContact CA-CZ 3.49Å; N185-Y197 HydrophobicContact CB-CD2 4.03Å; N185-Y197 HydrophobicContact CB-CE2 3.76Å; N185-Y197 WeakPolarHBondContact CB-O 3.5Å; N185-Y197 VanDerWaalsContact O-CD1 3.31Å; N185-Y197 WeakPolarHBondContact O-CD1 3.45Å; N185-Y197 PolarHBondContact O-N 3.26Å; V187-Y197 HydrophobicContact CG2-CD1 4.12Å; V187-Y197 HydrophobicContact CG2-CE1 3.85Å; Y197-L200 HydrophobicContact CD1-CB 4.41Å; Y197-L200 HydrophobicContact CD1-CD1 4.01Å; Y197-L200 HydrophobicContact CD2-CB 3.85Å; Y197-L200 HydrophobicContact CE1-CB 4.19Å; Y197-L200 HydrophobicContact CE1-CD1 4.01Å; Y197-L200 HydrophobicContact CE1-CD2 3.94Å; Y197-L200 HydrophobicContact CE1-CG 4.28Å; Y197-L200 HydrophobicContact CE2-CB 3.63Å; Y197-L200 HydrophobicContact CE2-CD2 4.49Å; Y197-L200 HydrophobicContact CG-CB 4.24Å; Y197-L200 HydrophobicContact CG-CD1 4.43Å
198	E	98.5	Very high	97.6	Very high	82 Å²	82	36 Å²	36	38%	0.383	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-45.2	161.8	-66.1	177.2	-141.1	0	0	110.4	Y103 K104 N389	Y103-E198 PolarHBondContact O-N 2.65Å; Y103-E198 VanDerWaalsContact O-N 3.16Å; K104-E198 VanDerWaalsContact CE-OE2 3.23Å; K104-E198 WeakPolarHBondContact CE-OE2 3.49Å; K104-E198 HydrophobicContact CG-CB 4.29Å; K104-E198 HydrophobicContact CG-CG 4.42Å; K104-E198 WeakPolarHBondContact CG-OE2 3.08Å; K104-E198 IonicContact NZ-OE2 2.55Å; K104-E198 WeakPolarHBondContact O-CB 3.3Å; E198-N389 WeakPolarHBondContact O-CB 3.49Å; E198-N389 PolarHBondContact O-ND2 3.23Å
199	Y	98.8	Very high	97.6	Very high	46 Å²	46	35.2 Å²	35.2	18%	0.18	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	145.9	177.9	-59.4	-83.1	0	0	0	111.6	K104 M105 L106 N389 F391 L423	K104-Y199 HydrophobicContact CG-CD2 4.45Å; K104-Y199 PolarHBondContact O-N 2.88Å; M105-Y199 WeakPolarHBondContact CA-O 3.3Å; M105-Y199 VanDerWaalsContact CE-CB 3.5Å; M105-Y199 HydrophobicContact CE-CG 4.25Å; L106-Y199 PolarHBondContact N-O 2.93Å; Y199-N389 WeakPolarHBondContact CA-O 3.34Å; Y199-N389 HydrophobicContact CD1-CB 3.81Å; Y199-N389 HydrophobicContact CE1-CB 4.21Å; Y199-F391 AromaticContact CD1-CE2 3.91Å; Y199-F391 HydrophobicContact CD1-CE2 3.91Å; Y199-F391 HydrophobicContact CD1-CZ 4.49Å; Y199-L423 HydrophobicContact CD2-CD2 4.14Å; Y199-L423 HydrophobicContact CE2-CD2 3.42Å; Y199-L423 VanDerWaalsContact CE2-CD2 3.42Å
200	L	98.9	Very high	97.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.1	-178.6	-173.3	67.2	0	0	0	111.3	L106 L108 I180 V187 Y197 V202 L368 N389 V390 F391	L106-L200 HydrophobicContact CB-CD1 4.01Å; L106-L200 HydrophobicContact CD2-CD1 4.1Å; L106-L200 HydrophobicContact CG-CD1 4.13Å; L106-L200 CarbonylContact O-C 3.54Å; L106-L200 WeakPolarHBondContact O-CA 3.21Å; L108-L200 HydrophobicContact CD1-CD1 3.94Å; L108-L200 HydrophobicContact CD1-CD2 4.3Å; L108-L200 HydrophobicContact CD2-CD1 4.1Å; L108-L200 HydrophobicContact CG-CD1 3.72Å; I180-L200 HydrophobicContact CG2-CD2 3.96Å; V187-L200 HydrophobicContact CG2-CD1 4.21Å; Y197-L200 HydrophobicContact CD1-CB 4.41Å; Y197-L200 HydrophobicContact CD1-CD1 4.01Å; Y197-L200 HydrophobicContact CD2-CB 3.85Å; Y197-L200 HydrophobicContact CE1-CB 4.19Å; Y197-L200 HydrophobicContact CE1-CD1 4.01Å; Y197-L200 HydrophobicContact CE1-CD2 3.94Å; Y197-L200 HydrophobicContact CE1-CG 4.28Å; Y197-L200 HydrophobicContact CE2-CB 3.63Å; Y197-L200 HydrophobicContact CE2-CD2 4.49Å; Y197-L200 HydrophobicContact CG-CB 4.24Å; Y197-L200 HydrophobicContact CG-CD1 4.43Å; L200-V202 HydrophobicContact CD2-CG2 3.84Å; L200-V202 HydrophobicContact CG-CG2 4.05Å; L200-L368 HydrophobicContact CD2-CD1 4.23Å; L200-N389 PolarHBondContact N-O 3.47Å; L200-V390 HydrophobicContact CB-CG1 4.42Å; L200-V390 HydrophobicContact CB-CG2 4.18Å; L200-V390 HydrophobicContact CD2-CG1 4.19Å; L200-V390 HydrophobicContact CD2-CG2 4.35Å; L200-F391 WeakPolarHBondContact O-CD2 3.39Å; L200-F391 PolarHBondContact O-N 3.36Å
201	I	98.9	Very high	97.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	118.8	165.5	-63.2	170.8	0	0	0	108.9	M105 L106 V107 L108 M117 M121 F391 I393 L415 I419	M105-I201 HydrophobicContact CE-CD1 4.26Å; M105-I201 HydrophobicContact CE-CG1 4.49Å; M105-I201 HydrophobicContact CG-CD1 4.46Å; M105-I201 HydrophobicContact SD-CD1 3.59Å; M105-I201 VanDerWaalsContact SD-CD1 3.59Å; M105-I201 HydrophobicContact SD-CG1 3.63Å; L106-I201 PolarHBondContact O-N 3.42Å; V107-I201 CarbonylContact C-O 3.5Å; V107-I201 WeakPolarHBondContact CA-O 3.48Å; V107-I201 HydrophobicContact CG1-CB 4.32Å; V107-I201 HydrophobicContact CG1-CG2 4.31Å; V107-I201 HydrophobicContact CG2-CB 4.25Å; V107-I201 HydrophobicContact CG2-CD1 4.39Å; L108-I201 PolarHBondContact N-O 3.13Å; M117-I201 HydrophobicContact CB-CD1 3.93Å; M117-I201 HydrophobicContact CB-CG2 4.35Å; M117-I201 HydrophobicContact CE-CD1 3.92Å; M117-I201 HydrophobicContact CG-CD1 4.42Å; M117-I201 HydrophobicContact CG-CG2 4.37Å; M121-I201 HydrophobicContact CG-CD1 3.88Å; M121-I201 HydrophobicContact SD-CD1 4.42Å; I201-F391 WeakPolarHBondContact CA-O 3.45Å; I201-F391 HydrophobicContact CG1-CB 4.28Å; I201-I393 HydrophobicContact CG2-CG2 4.14Å; I201-L415 HydrophobicContact CG2-CD2 4.4Å; I201-I419 HydrophobicContact CD1-CD1 3.71Å; I201-I419 HydrophobicContact CG1-CD1 4.1Å
202	V	98.9	Very high	98.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	117.6	175.2	-175.4	0	0	0	0	109.7	L108 L200 L204 V363 L368 L375 V390 F391 G392 I393 C396	L108-V202 HydrophobicContact CD1-CG2 4.35Å; L200-V202 HydrophobicContact CD2-CG2 3.84Å; L200-V202 HydrophobicContact CG-CG2 4.05Å; V202-L204 HydrophobicContact CG1-CD1 4.01Å; V202-L204 HydrophobicContact CG1-CG 4.1Å; V202-V363 HydrophobicContact CG1-CG2 3.93Å; V202-L368 HydrophobicContact CG2-CD1 4.15Å; V202-L375 HydrophobicContact CB-CD1 4.4Å; V202-L375 HydrophobicContact CB-CD2 3.68Å; V202-L375 HydrophobicContact CG1-CD2 4.08Å; V202-L375 HydrophobicContact CG2-CD1 4.32Å; V202-L375 HydrophobicContact CG2-CD2 4.34Å; V202-V390 HydrophobicContact CG2-CG1 4.4Å; V202-F391 PolarHBondContact N-O 3.32Å; V202-G392 WeakPolarHBondContact O-CA 3.08Å; V202-I393 PolarHBondContact O-N 3.08Å; V202-I393 VanDerWaalsContact O-N 3.1Å; V202-C396 PolarHBondContact O-SG 3.37Å; V202-C396 VanDerWaalsContact O-SG 3.4Å
203	A	98.9	Very high	98.3	Very high	9 Å²	9	37.3 Å²	37.3	7%	0.074	19%	0.187	C	C	.	.			trans	-135.4	37.5	-177.5	0	0	0	0	0	111.9	L108 G205 I393	L108-A203 CarbonylContact O-C 3.54Å; L108-A203 VanDerWaalsContact O-C 3.24Å; L108-A203 VanDerWaalsContact O-CA 3.31Å; L108-A203 WeakPolarHBondContact O-CA 3.16Å; L108-A203 PolarHBondContact O-N 3.34Å; A203-G205 PolarHBondContact O-N 3.37Å; A203-G205 VanDerWaalsContact O-N 3.14Å; A203-I393 HydrophobicContact CB-CG2 3.69Å
204	L	98.6	Very high	98.5	Very high	42 Å²	42	41.9 Å²	41.9	22%	0.22	20%	0.203	C	C	.	.			trans	-75.3	2.8	-170.6	-68	173.3	0	0	0	114.9	L108 V177 V202 V362 V363	L108-L204 HydrophobicContact CB-CD1 4.34Å; L108-L204 HydrophobicContact CB-CD2 3.93Å; L108-L204 HydrophobicContact CB-CG 4.02Å; L108-L204 PolarHBondContact O-N 3.02Å; V177-L204 HydrophobicContact CG2-CD2 4.38Å; V202-L204 HydrophobicContact CG1-CD1 4.01Å; V202-L204 HydrophobicContact CG1-CG 4.1Å; L204-V362 HydrophobicContact CD1-CB 4.49Å; L204-V362 HydrophobicContact CD1-CG1 4.49Å; L204-V363 HydrophobicContact CD1-CG2 3.93Å
205	G	98.2	Very high	98.5	Very high	20 Å²	20	38.9 Å²	38.9	21%	0.206	20%	0.197	C	C	.	.			trans	63.8	-145.4	-179.7	0	0	0	0	0	112.9	A203 D395 C396	A203-G205 PolarHBondContact O-N 3.37Å; A203-G205 VanDerWaalsContact O-N 3.14Å; G205-D395 CarbonylContact O-C 3.6Å; G205-C396 WeakPolarHBondContact O-CA 3.13Å; G205-C396 WeakPolarHBondContact O-CB 3.47Å; G205-C396 PolarHBondContact O-N 2.83Å; G205-C396 VanDerWaalsContact O-N 3.12Å
206	L	97.5	Very high	98.5	Very high	23 Å²	23	38.8 Å²	38.8	12%	0.12	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	167.8	176.4	61.2	64.5	0	0	0	110.6	L208 K259 M357 G358 W374 D395 K403	L206-L208 HydrophobicContact CD1-CD2 3.81Å; L206-K259 HydrophobicContact CD1-CD 3.96Å; L206-K259 HydrophobicContact CD1-CG 4.39Å; L206-K259 HydrophobicContact CD2-CB 3.84Å; L206-K259 HydrophobicContact CD2-CD 4.47Å; L206-K259 HydrophobicContact CD2-CG 4.24Å; L206-K259 HydrophobicContact CG-CB 4.48Å; L206-K259 HydrophobicContact CG-CD 4.3Å; L206-M357 HydrophobicContact CD1-CB 4.05Å; L206-M357 HydrophobicContact CD1-CG 4.15Å; L206-M357 HydrophobicContact CD1-SD 3.73Å; L206-M357 HydrophobicContact CD2-CB 4.13Å; L206-M357 HydrophobicContact CD2-SD 3.88Å; L206-G358 WeakPolarHBondContact CB-O 3.46Å; L206-W374 HydrophobicContact CB-CZ3 4.28Å; L206-D395 HydrophobicContact CB-CB 4.1Å; L206-D395 HydrophobicContact CD2-CB 4.09Å; L206-D395 HydrophobicContact CG-CB 3.95Å; L206-K403 HydrophobicContact CD2-CD 4.28Å
207	Q	97.7	Very high	98.5	Very high	56 Å²	56	40.2 Å²	40.2	26%	0.262	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	145.9	175.8	-67.8	-171	0.2	0	0	111.9	H209 M357 G358 L361	Q207-H209 PolarHBondContact OE1-CE1 3.23Å; Q207-M357 WeakPolarHBondContact O-CA 3.07Å; Q207-M357 VanDerWaalsContact O-CB 3.29Å; Q207-M357 WeakPolarHBondContact O-CB 3.36Å; Q207-G358 PolarHBondContact N-O 3.4Å; Q207-G358 PolarHBondContact O-N 3.44Å; Q207-G358 VanDerWaalsContact O-N 3.08Å; Q207-L361 VanDerWaalsContact NE2-N 3.11Å
208	L	98.4	Very high	98.5	Very high	47 Å²	47	45.4 Å²	45.4	25%	0.246	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.7	173	-51	178.8	0	0	0	107.4	L206 Y210 Y229 P355 M357	L206-L208 HydrophobicContact CD1-CD2 3.81Å; L208-Y210 HydrophobicContact CB-CD2 4.16Å; L208-Y210 HydrophobicContact CB-CE2 3.88Å; L208-Y210 HydrophobicContact CD1-CE2 3.96Å; L208-Y229 WeakPolarHBondContact CD1-O 3.18Å; L208-P355 HydrophobicContact CB-CG 4.15Å; L208-P355 HydrophobicContact CD2-CG 4.08Å; L208-M357 HydrophobicContact CD2-CE 4.06Å; L208-M357 HydrophobicContact CD2-CG 3.87Å; L208-M357 HydrophobicContact CD2-SD 3.87Å
209	H	98.4	Very high	98.5	Very high	19 Å²	19	41.6 Å²	41.6	9%	0.088	21%	0.211	C	C	.	.			trans	-110.7	70	-177.1	-67.1	-67.8	0	0	0	110.2	Q207 E211 K212 P356	Q207-H209 PolarHBondContact OE1-CE1 3.23Å; H209-E211 WeakPolarHBondContact CA-OE1 3.09Å; H209-E211 WeakPolarHBondContact CA-OE2 3.43Å; H209-E211 WeakPolarHBondContact CB-OE1 3.26Å; H209-E211 IonicContact CE1-OE1 3.04Å; H209-E211 IonicContact CG-OE1 2.7Å; H209-E211 IonicContact ND1-OE1 2.62Å; H209-E211 PolarHBondContact ND1-OE1 3.26Å; H209-E211 PolarHBondContact O-N 2.88Å; H209-K212 HydrophobicContact CB-CB 4.38Å; H209-K212 HydrophobicContact CB-CD 3.72Å; H209-K212 HydrophobicContact CB-CG 3.9Å; H209-K212 PolarHBondContact O-N 2.83Å; H209-P356 WeakPolarHBondContact CA-O 3.44Å; H209-P356 HydrophobicContact CB-CB 4.31Å; H209-P356 WeakPolarHBondContact CB-O 3.44Å; H209-P356 PolarHBondContact N-O 2.89Å; H209-P356 WeakPolarHBondContact O-CD 3.38Å
210	Y	98.6	Very high	98.5	Very high	22 Å²	22	39.9 Å²	39.9	9%	0.086	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-63.5	-35.8	176.2	-72	-79.5	0	0	0	111.2	L208 K212 I213 L216 F220 S227 S230 P355	L208-Y210 HydrophobicContact CB-CD2 4.16Å; L208-Y210 HydrophobicContact CB-CE2 3.88Å; L208-Y210 HydrophobicContact CD1-CE2 3.96Å; Y210-K212 PolarHBondContact O-N 3.01Å; Y210-K212 VanDerWaalsContact O-N 3.08Å; Y210-I213 PolarHBondContact O-N 3.34Å; Y210-L216 HydrophobicContact CD1-CD1 4.38Å; Y210-L216 WeakPolarHBondContact O-CB 3.44Å; Y210-F220 AromaticContact CD1-CE2 3.48Å; Y210-F220 HydrophobicContact CD1-CE2 3.48Å; Y210-F220 VanDerWaalsContact CD1-CE2 3.48Å; Y210-F220 AromaticContact CD1-CZ 3.68Å; Y210-F220 HydrophobicContact CD1-CZ 3.68Å; Y210-F220 AromaticContact CE1-CE2 3.69Å; Y210-F220 HydrophobicContact CE1-CE2 3.69Å; Y210-F220 AromaticContact CE1-CZ 3.56Å; Y210-F220 HydrophobicContact CE1-CZ 3.56Å; Y210-F220 HydrophobicContact CG-CE2 4.08Å; Y210-S227 WeakPolarHBondContact OH-CB 3.41Å; Y210-S227 PolarHBondContact OH-OG 3.28Å; Y210-S230 PolarHBondContact OH-N 3.3Å; Y210-P355 HydrophobicContact CD1-CB 3.58Å; Y210-P355 HydrophobicContact CD1-CG 4.21Å; Y210-P355 HydrophobicContact CD2-CB 4.21Å; Y210-P355 HydrophobicContact CE1-CB 3.55Å; Y210-P355 HydrophobicContact CE1-CG 3.64Å; Y210-P355 HydrophobicContact CE2-CB 4.19Å; Y210-P355 HydrophobicContact CE2-CG 4.03Å; Y210-P355 HydrophobicContact CG-CB 3.92Å
211	E	98.3	Very high	98.4	Very high	110 Å²	110	47.8 Å²	47.8	51%	0.514	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-60.6	-16.2	179.3	75.5	-70.1	168.3	0	0	114.4	H209 I213 L216	H209-E211 WeakPolarHBondContact CA-OE1 3.09Å; H209-E211 WeakPolarHBondContact CA-OE2 3.43Å; H209-E211 WeakPolarHBondContact CB-OE1 3.26Å; H209-E211 IonicContact CE1-OE1 3.04Å; H209-E211 IonicContact CG-OE1 2.7Å; H209-E211 IonicContact ND1-OE1 2.62Å; H209-E211 PolarHBondContact ND1-OE1 3.26Å; H209-E211 PolarHBondContact O-N 2.88Å; E211-I213 PolarHBondContact O-N 3.31Å; E211-L216 WeakPolarHBondContact CA-O 3.49Å
212	K	98.4	Very high	98.4	Very high	126 Å²	126	51.5 Å²	51.5	55%	0.548	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-75.4	-12.4	173.9	-73.9	-175	-180	-175.3	0	113.4	H209 Y210 P356	H209-K212 HydrophobicContact CB-CB 4.38Å; H209-K212 HydrophobicContact CB-CD 3.72Å; H209-K212 HydrophobicContact CB-CG 3.9Å; H209-K212 PolarHBondContact O-N 2.83Å; Y210-K212 PolarHBondContact O-N 3.01Å; Y210-K212 VanDerWaalsContact O-N 3.08Å; K212-P356 HydrophobicContact CB-CB 4.37Å; K212-P356 HydrophobicContact CB-CG 4.12Å; K212-P356 HydrophobicContact CD-CB 4.22Å
213	I	98.9	Very high	98.3	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.015	29%	0.289	C	S	.	.	S	Bend	trans	-101.7	118.2	171.7	-63.4	164	0	0	0	106.4	Y210 E211 G215 L216 L322 V325 V353 P356	Y210-I213 PolarHBondContact O-N 3.34Å; E211-I213 PolarHBondContact O-N 3.31Å; I213-G215 PolarHBondContact O-N 3.41Å; I213-L216 HydrophobicContact CB-CB 4.36Å; I213-L216 HydrophobicContact CB-CD1 3.9Å; I213-L216 HydrophobicContact CB-CG 4.35Å; I213-L216 HydrophobicContact CD1-CD1 3.88Å; I213-L216 HydrophobicContact CG2-CD1 3.82Å; I213-L216 HydrophobicContact CG2-CG 4.16Å; I213-L216 PolarHBondContact O-N 2.62Å; I213-L322 HydrophobicContact CD1-CD2 3.89Å; I213-L322 HydrophobicContact CD1-CG 4.32Å; I213-L322 HydrophobicContact CG2-CD2 4.15Å; I213-L322 HydrophobicContact CG2-CG 4.07Å; I213-V325 HydrophobicContact CG2-CG2 3.99Å; I213-V353 HydrophobicContact CD1-CG1 3.72Å; I213-P356 HydrophobicContact CD1-CG 4.33Å; I213-P356 HydrophobicContact CG1-CG 4.22Å
214	K	98.8	Very high	98.3	Very high	135 Å²	135	58.1 Å²	58.1	59%	0.587	30%	0.296	S	S	*	.	B	Isolated β-bridge	trans	-56.6	130	179.9	-178.7	-177.5	173	-149.5	0	110.2	I323 E324 V325	K214-I323 PolarHBondContact N-O 2.66Å; K214-E324 HydrophobicContact CB-CB 4Å; K214-E324 HydrophobicContact CB-CG 3.97Å; K214-E324 HydrophobicContact CD-CG 3.98Å; K214-E324 WeakPolarHBondContact CE-OE1 3.44Å; K214-E324 HydrophobicContact CG-CG 4.07Å; K214-E324 IonicContact NZ-OE1 3.14Å; K214-E324 PolarHBondContact NZ-OE1 3.34Å; K214-E324 CarbonylContact O-C 3.54Å; K214-E324 VanDerWaalsContact O-CA 3.31Å; K214-E324 WeakPolarHBondContact O-CA 3.28Å; K214-V325 PolarHBondContact O-N 2.78Å
215	G	98.5	Very high	98.3	Very high	28 Å²	28	56.1 Å²	56.1	29%	0.289	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	-0.1	-176.6	0	0	0	0	0	114.9	I213 A219	I213-G215 PolarHBondContact O-N 3.41Å; G215-A219 WeakPolarHBondContact O-CB 3.18Å; G215-A219 PolarHBondContact O-N 3.02Å
216	L	98.6	Very high	98.4	Very high	5 Å²	5	55.2 Å²	55.2	3%	0.026	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	146.1	168.7	-67.8	179.4	0	0	0	110.5	Y210 E211 I213 A219 F220 I225 V325 V353	Y210-L216 HydrophobicContact CD1-CD1 4.38Å; Y210-L216 WeakPolarHBondContact O-CB 3.44Å; E211-L216 WeakPolarHBondContact CA-O 3.49Å; I213-L216 HydrophobicContact CB-CB 4.36Å; I213-L216 HydrophobicContact CB-CD1 3.9Å; I213-L216 HydrophobicContact CB-CG 4.35Å; I213-L216 HydrophobicContact CD1-CD1 3.88Å; I213-L216 HydrophobicContact CG2-CD1 3.82Å; I213-L216 HydrophobicContact CG2-CG 4.16Å; I213-L216 PolarHBondContact O-N 2.62Å; L216-A219 HydrophobicContact CD2-CB 3.76Å; L216-F220 HydrophobicContact CD1-CZ 4.36Å; L216-F220 HydrophobicContact CD2-CD1 4.5Å; L216-F220 HydrophobicContact CD2-CD2 3.98Å; L216-F220 HydrophobicContact CD2-CE1 4.26Å; L216-F220 HydrophobicContact CD2-CE2 3.73Å; L216-F220 HydrophobicContact CD2-CG 4.36Å; L216-F220 HydrophobicContact CD2-CZ 3.87Å; L216-I225 HydrophobicContact CD2-CD1 3.98Å; L216-V325 HydrophobicContact CD1-CG2 4.26Å; L216-V325 HydrophobicContact CG-CG2 4.28Å; L216-V353 HydrophobicContact CD1-CB 4.36Å; L216-V353 HydrophobicContact CD1-CG1 3.77Å; L216-V353 HydrophobicContact CD1-CG2 4.15Å
217	P	98.4	Very high	98.4	Very high	67 Å²	67	54.1 Å²	54.1	44%	0.435	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	cis	-82.9	-4.2	7.7	34.1	-36.5	0	0	0	115.9	A219 F220	P217-A219 VanDerWaalsContact C-N 3.27Å; P217-A219 PolarHBondContact O-N 2.91Å; P217-F220 HydrophobicContact CB-CD2 4.12Å; P217-F220 WeakPolarHBondContact O-CB 3.14Å; P217-F220 VanDerWaalsContact O-CD2 3.27Å; P217-F220 WeakPolarHBondContact O-CD2 3.29Å; P217-F220 PolarHBondContact O-N 2.8Å
218	E	98.3	Very high	98.5	Very high	114 Å²	114	52 Å²	52	53%	0.533	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-58	-36	-171.1	-59.9	77	-168.2	0	0	112.7	F220 E221	E218-F220 PolarHBondContact O-N 3.17Å; E218-E221 WeakPolarHBondContact O-CB 3.48Å; E218-E221 WeakPolarHBondContact O-CG 3.42Å; E218-E221 PolarHBondContact O-N 2.93Å
219	A	98.2	Very high	98.5	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.008	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-60.4	-20.6	178.2	0	0	0	0	0	113.8	G215 L216 P217 E221 H222 I225 V325 P327	G215-A219 WeakPolarHBondContact O-CB 3.18Å; G215-A219 PolarHBondContact O-N 3.02Å; L216-A219 HydrophobicContact CD2-CB 3.76Å; P217-A219 VanDerWaalsContact C-N 3.27Å; P217-A219 PolarHBondContact O-N 2.91Å; A219-E221 PolarHBondContact O-N 3.45Å; A219-H222 WeakPolarHBondContact O-CB 3.37Å; A219-H222 PolarHBondContact O-N 3.4Å; A219-I225 HydrophobicContact CB-CD1 4.15Å; A219-I225 WeakPolarHBondContact O-CG2 3.34Å; A219-V325 HydrophobicContact CB-CB 4.37Å; A219-V325 HydrophobicContact CB-CG1 3.76Å; A219-P327 HydrophobicContact CB-CB 3.74Å; A219-P327 HydrophobicContact CB-CG 3.58Å
220	F	98.5	Very high	98.5	Very high	11 Å²	11	50.3 Å²	50.3	5%	0.048	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-66.3	-13	174.6	-66.9	-56.8	0	0	0	113.7	Y210 L216 P217 E218 H222 I225 T233 K236	Y210-F220 AromaticContact CD1-CE2 3.48Å; Y210-F220 HydrophobicContact CD1-CE2 3.48Å; Y210-F220 VanDerWaalsContact CD1-CE2 3.48Å; Y210-F220 AromaticContact CD1-CZ 3.68Å; Y210-F220 HydrophobicContact CD1-CZ 3.68Å; Y210-F220 AromaticContact CE1-CE2 3.69Å; Y210-F220 HydrophobicContact CE1-CE2 3.69Å; Y210-F220 AromaticContact CE1-CZ 3.56Å; Y210-F220 HydrophobicContact CE1-CZ 3.56Å; Y210-F220 HydrophobicContact CG-CE2 4.08Å; L216-F220 HydrophobicContact CD1-CZ 4.36Å; L216-F220 HydrophobicContact CD2-CD1 4.5Å; L216-F220 HydrophobicContact CD2-CD2 3.98Å; L216-F220 HydrophobicContact CD2-CE1 4.26Å; L216-F220 HydrophobicContact CD2-CE2 3.73Å; L216-F220 HydrophobicContact CD2-CG 4.36Å; L216-F220 HydrophobicContact CD2-CZ 3.87Å; P217-F220 HydrophobicContact CB-CD2 4.12Å; P217-F220 WeakPolarHBondContact O-CB 3.14Å; P217-F220 VanDerWaalsContact O-CD2 3.27Å; P217-F220 WeakPolarHBondContact O-CD2 3.29Å; P217-F220 PolarHBondContact O-N 2.8Å; E218-F220 PolarHBondContact O-N 3.17Å; F220-H222 PolarHBondContact O-N 2.72Å; F220-I225 HydrophobicContact CD1-CD1 4.24Å; F220-I225 HydrophobicContact CD1-CG1 4.01Å; F220-I225 HydrophobicContact CD1-CG2 4.3Å; F220-I225 HydrophobicContact CE1-CD1 4.12Å; F220-I225 HydrophobicContact CE1-CG1 3.9Å; F220-T233 HydrophobicContact CB-CG2 4.1Å; F220-T233 HydrophobicContact CD1-CG2 3.81Å; F220-T233 HydrophobicContact CD2-CG2 3.64Å; F220-T233 HydrophobicContact CE1-CG2 4.1Å; F220-T233 HydrophobicContact CE2-CG2 3.93Å; F220-T233 HydrophobicContact CG-CG2 3.58Å; F220-T233 HydrophobicContact CZ-CG2 4.16Å; F220-K236 HydrophobicContact CB-CD 4.16Å; F220-K236 WeakPolarHBondContact O-CD 3.27Å; F220-K236 VanDerWaalsContact O-CE 3.28Å; F220-K236 WeakPolarHBondContact O-CE 3.3Å; F220-K236 PolarHBondContact O-NZ 3.4Å
221	E	97.9	Very high	98.5	Very high	165 Å²	165	51.7 Å²	51.7	77%	0.771	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-69.9	-22.2	170.9	-62.5	-174.8	172.3	0	0	112.3	E218 A219	E218-E221 WeakPolarHBondContact O-CB 3.48Å; E218-E221 WeakPolarHBondContact O-CG 3.42Å; E218-E221 PolarHBondContact O-N 2.93Å; A219-E221 PolarHBondContact O-N 3.45Å
222	H	98.1	Very high	98.4	Very high	78 Å²	78	53.8 Å²	53.8	36%	0.361	27%	0.272	S	S	.	.	S	Bend	trans	-85.8	156.9	178.1	-68.2	-110.2	0	0	0	112.5	A219 F220 P327	A219-H222 WeakPolarHBondContact O-CB 3.37Å; A219-H222 PolarHBondContact O-N 3.4Å; F220-H222 PolarHBondContact O-N 2.72Å; H222-P327 HydrophobicContact CB-CB 3.66Å; H222-P327 VanDerWaalsContact CG-CB 3.49Å
223	P	98.1	Very high	98.4	Very high	98 Å²	98	48.1 Å²	48.1	64%	0.636	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	174.9	173.6	31.7	-37	0	0	0	111.7	I225	P223-I225 PolarHBondContact O-N 3.22Å; P223-I225 VanDerWaalsContact O-N 3.11Å
224	K	98.6	Very high	98.4	Very high	50 Å²	50	48 Å²	48	22%	0.217	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	-1.9	172.7	-58.6	179.7	178.7	-172.8	0	116.1	R330 Y348 E349 M350 L351	K224-R330 VanDerWaalsContact NZ-NH1 3.16Å; K224-Y348 HydrophobicContact CB-CD2 4.45Å; K224-Y348 HydrophobicContact CB-CE2 4.22Å; K224-E349 VanDerWaalsContact CB-O 3.28Å; K224-E349 WeakPolarHBondContact CB-O 3.29Å; K224-E349 WeakPolarHBondContact CD-O 3.37Å; K224-E349 VanDerWaalsContact CE-OE1 3.26Å; K224-E349 WeakPolarHBondContact CE-OE1 3.35Å; K224-E349 WeakPolarHBondContact CE-OE2 3.43Å; K224-E349 VanDerWaalsContact CG-O 3.3Å; K224-E349 WeakPolarHBondContact CG-O 3.42Å; K224-E349 IonicContact NZ-OE1 2.7Å; K224-E349 PolarHBondContact NZ-OE1 3.36Å; K224-E349 IonicContact NZ-OE2 2.91Å; K224-E349 PolarHBondContact NZ-OE2 2.99Å; K224-M350 CarbonylContact O-C 3.49Å; K224-M350 VanDerWaalsContact O-CA 3.26Å; K224-M350 WeakPolarHBondContact O-CA 3.13Å; K224-L351 PolarHBondContact O-N 3.31Å
225	I	98.8	Very high	98.4	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.6	177.2	-174	175	0	0	0	111.8	L216 A219 F220 P223 K236 V325 L351 V353	L216-I225 HydrophobicContact CD2-CD1 3.98Å; A219-I225 HydrophobicContact CB-CD1 4.15Å; A219-I225 WeakPolarHBondContact O-CG2 3.34Å; F220-I225 HydrophobicContact CD1-CD1 4.24Å; F220-I225 HydrophobicContact CD1-CG1 4.01Å; F220-I225 HydrophobicContact CD1-CG2 4.3Å; F220-I225 HydrophobicContact CE1-CD1 4.12Å; F220-I225 HydrophobicContact CE1-CG1 3.9Å; P223-I225 PolarHBondContact O-N 3.22Å; P223-I225 VanDerWaalsContact O-N 3.11Å; I225-K236 WeakPolarHBondContact O-CB 3.41Å; I225-V325 HydrophobicContact CD1-CG1 3.84Å; I225-L351 CarbonylContact C-O 3.59Å; I225-L351 VanDerWaalsContact CA-O 3.29Å; I225-L351 WeakPolarHBondContact CA-O 3.08Å; I225-L351 HydrophobicContact CB-CB 4.44Å; I225-L351 HydrophobicContact CD1-CD2 3.82Å; I225-L351 HydrophobicContact CD1-CG 4.43Å; I225-L351 HydrophobicContact CG1-CB 4.21Å; I225-L351 HydrophobicContact CG1-CD2 4.15Å; I225-L351 HydrophobicContact CG1-CG 4.24Å; I225-V353 HydrophobicContact CD1-CG2 4.08Å; I225-V353 HydrophobicContact CG1-CG2 4.28Å
226	G	98.8	Very high	98.4	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	174.5	174.5	0	0	0	0	0	113.2	L351 H352 V353	G226-L351 PolarHBondContact N-O 3.1Å; G226-H352 WeakPolarHBondContact O-CA 3.44Å; G226-V353 PolarHBondContact O-N 2.73Å
227	S	98.9	Very high	98.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.244	C	C	.	.			trans	-149.6	132.5	171.4	-177.5	0	0	0	0	110.6	Y210 Y229 T233 V234 T237 V353	Y210-S227 WeakPolarHBondContact OH-CB 3.41Å; Y210-S227 PolarHBondContact OH-OG 3.28Å; S227-Y229 PolarHBondContact O-N 3.08Å; S227-Y229 PolarHBondContact OG-N 3.05Å; S227-T233 WeakPolarHBondContact CB-OG1 3.25Å; S227-T233 PolarHBondContact N-O 2.9Å; S227-T233 CarbonylContact O-C 3.58Å; S227-T233 PolarHBondContact O-OG1 3.15Å; S227-V234 WeakPolarHBondContact O-CA 3.47Å; S227-V234 PolarHBondContact O-N 3.28Å; S227-T237 PolarHBondContact N-OG1 3.23Å; S227-T237 VanDerWaalsContact N-OG1 3.13Å; S227-V353 WeakPolarHBondContact CB-O 3.31Å; S227-V353 PolarHBondContact OG-O 3.34Å
228	N	98.9	Very high	98.5	Very high	11 Å²	11	48.5 Å²	48.5	6%	0.059	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	6.8	177.7	-66.5	-10.5	0	0	0	113.8	W145 G149 V234 T237 I267 H352	W145-N228 WeakPolarHBondContact CB-O 3.37Å; G149-N228 WeakPolarHBondContact CA-OD1 3.5Å; N228-V234 HydrophobicContact CB-CG2 4.4Å; N228-T237 WeakPolarHBondContact OD1-CB 3.47Å; N228-T237 WeakPolarHBondContact OD1-CG2 3.44Å; N228-T237 PolarHBondContact OD1-OG1 2.86Å; N228-I267 WeakPolarHBondContact ND2-CB 3.44Å; N228-I267 VanDerWaalsContact ND2-CG1 3.34Å; N228-I267 WeakPolarHBondContact ND2-CG1 3.38Å; N228-H352 PolarHBondContact N-NE2 3.05Å
229	Y	98.7	Very high	98.5	Very high	12 Å²	12	49.6 Å²	49.6	5%	0.047	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-12.2	-174.3	-76.6	-87.8	0	0	0	114.3	W145 L208 S227 K259 C260 P264 T354 M357	W145-Y229 WeakPolarHBondContact CZ3-O 3.45Å; L208-Y229 WeakPolarHBondContact CD1-O 3.18Å; S227-Y229 PolarHBondContact O-N 3.08Å; S227-Y229 PolarHBondContact OG-N 3.05Å; Y229-K259 HydrophobicContact CD1-CG 4.2Å; Y229-K259 HydrophobicContact CE1-CG 3.95Å; Y229-K259 WeakPolarHBondContact CE1-O 3.31Å; Y229-K259 PolarHBondContact OH-O 3.11Å; Y229-C260 PolarHBondContact OH-O 3.37Å; Y229-P264 HydrophobicContact CE2-CG 4.25Å; Y229-P264 VanDerWaalsContact OH-CD 3.25Å; Y229-P264 WeakPolarHBondContact OH-CD 3.3Å; Y229-P264 WeakPolarHBondContact OH-CG 3.43Å; Y229-T354 HydrophobicContact CD2-CG2 4.1Å; Y229-T354 HydrophobicContact CE2-CG2 3.52Å; Y229-M357 HydrophobicContact CD1-CE 3.34Å; Y229-M357 HydrophobicContact CD2-CE 4.49Å; Y229-M357 HydrophobicContact CE1-CE 3.33Å; Y229-M357 HydrophobicContact CE2-CE 4.48Å; Y229-M357 HydrophobicContact CG-CE 3.94Å
230	S	98.1	Very high	98.5	Very high	19 Å²	19	49.6 Å²	49.6	13%	0.133	24%	0.237	C	C	.	.	S	Bend	trans	-123.9	146.4	173	177.1	0	0	0	0	111	Y210 E232 T233 V234	Y210-S230 PolarHBondContact OH-N 3.3Å; S230-E232 PolarHBondContact O-N 2.94Å; S230-E232 PolarHBondContact OG-N 3.36Å; S230-T233 WeakPolarHBondContact CB-OG1 3.45Å; S230-T233 PolarHBondContact O-N 2.92Å; S230-V234 WeakPolarHBondContact O-CB 3.38Å; S230-V234 PolarHBondContact O-N 3.11Å
231	I	97.9	Very high	98.5	Very high	52 Å²	52	49.1 Å²	49.1	27%	0.267	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-30.5	173.4	-172.4	61.1	0	0	0	111.8	Y140 W145 T155 T233 V234	Y140-I231 HydrophobicContact CD1-CD1 4.33Å; Y140-I231 HydrophobicContact CE1-CD1 3.7Å; Y140-I231 HydrophobicContact CE1-CG1 3.89Å; W145-I231 HydrophobicContact CH2-CB 4.19Å; W145-I231 HydrophobicContact CZ2-CB 4.01Å; W145-I231 HydrophobicContact CZ2-CD1 4.19Å; T155-I231 HydrophobicContact CG2-CD1 3.83Å; I231-T233 VanDerWaalsContact C-N 3.29Å; I231-T233 PolarHBondContact O-N 2.84Å; I231-V234 HydrophobicContact CD1-CG1 4.42Å
232	E	97.9	Very high	98.6	Very high	154 Å²	154	45.1 Å²	45.1	72%	0.72	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-20.4	-178.5	-62.7	172.3	178.9	0	0	113.1	S230 K236	S230-E232 PolarHBondContact O-N 2.94Å; S230-E232 PolarHBondContact OG-N 3.36Å; E232-K236 WeakPolarHBondContact O-CE 3.41Å
233	T	98.6	Very high	98.6	Very high	6 Å²	6	45.5 Å²	45.5	4%	0.037	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-13.2	-170.2	58.5	0	0	0	0	114.1	F220 S227 S230 I231 E235 K236 T237	F220-T233 HydrophobicContact CB-CG2 4.1Å; F220-T233 HydrophobicContact CD1-CG2 3.81Å; F220-T233 HydrophobicContact CD2-CG2 3.64Å; F220-T233 HydrophobicContact CE1-CG2 4.1Å; F220-T233 HydrophobicContact CE2-CG2 3.93Å; F220-T233 HydrophobicContact CG-CG2 3.58Å; F220-T233 HydrophobicContact CZ-CG2 4.16Å; S227-T233 WeakPolarHBondContact CB-OG1 3.25Å; S227-T233 PolarHBondContact N-O 2.9Å; S227-T233 CarbonylContact O-C 3.58Å; S227-T233 PolarHBondContact O-OG1 3.15Å; S230-T233 WeakPolarHBondContact CB-OG1 3.45Å; S230-T233 PolarHBondContact O-N 2.92Å; I231-T233 VanDerWaalsContact C-N 3.29Å; I231-T233 PolarHBondContact O-N 2.84Å; T233-E235 VanDerWaalsContact C-N 3.35Å; T233-E235 PolarHBondContact O-N 3.35Å; T233-K236 HydrophobicContact CG2-CD 4.39Å; T233-K236 VanDerWaalsContact O-CB 3.31Å; T233-K236 WeakPolarHBondContact O-CB 3.49Å; T233-K236 PolarHBondContact O-N 2.99Å; T233-T237 PolarHBondContact O-N 2.86Å
234	V	98.7	Very high	98.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.9	-39.3	-178.3	64	0	0	0	0	112.9	W145 V148 G149 T155 S227 N228 S230 I231 K236 T237	W145-V234 HydrophobicContact CB-CG2 3.91Å; W145-V234 HydrophobicContact CG-CG2 4.39Å; W145-V234 WeakPolarHBondContact O-CG2 3.49Å; V148-V234 HydrophobicContact CB-CG2 3.83Å; V148-V234 HydrophobicContact CG1-CG1 4.13Å; V148-V234 HydrophobicContact CG1-CG2 3.77Å; G149-V234 WeakPolarHBondContact CA-O 3.48Å; T155-V234 HydrophobicContact CG2-CG1 3.76Å; S227-V234 WeakPolarHBondContact O-CA 3.47Å; S227-V234 PolarHBondContact O-N 3.28Å; N228-V234 HydrophobicContact CB-CG2 4.4Å; S230-V234 WeakPolarHBondContact O-CB 3.38Å; S230-V234 PolarHBondContact O-N 3.11Å; I231-V234 HydrophobicContact CD1-CG1 4.42Å; V234-K236 VanDerWaalsContact C-N 3.3Å; V234-K236 PolarHBondContact O-N 2.88Å; V234-T237 WeakPolarHBondContact O-CB 3.4Å; V234-T237 PolarHBondContact O-N 2.72Å
235	E	98.6	Very high	98.6	Very high	108 Å²	108	45.7 Å²	45.7	51%	0.505	21%	0.212	S	C	.	.	H	α-helix	trans	-73.5	-24.9	176.9	-64.7	-173.5	159.6	0	0	112.1	V148 T155 T233 T237 W238 K239	V148-E235 HydrophobicContact CG1-CG 4.4Å; T155-E235 WeakPolarHBondContact CB-OE1 3.42Å; T155-E235 HydrophobicContact CG2-CG 3.53Å; T155-E235 WeakPolarHBondContact CG2-OE1 3.43Å; T155-E235 PolarHBondContact OG1-OE1 3.1Å; T233-E235 VanDerWaalsContact C-N 3.35Å; T233-E235 PolarHBondContact O-N 3.35Å; E235-T237 VanDerWaalsContact C-N 3.3Å; E235-T237 PolarHBondContact O-N 3.23Å; E235-W238 PolarHBondContact O-N 3.41Å; E235-K239 PolarHBondContact O-N 3.14Å
236	K	98.8	Very high	98.6	Very high	77 Å²	77	51.4 Å²	51.4	34%	0.335	24%	0.239	S	C	.	.	H	α-helix	trans	-66.1	-35.1	173.2	-57.5	178.7	-177.3	-93.5	0	110.9	F220 I225 E232 T233 V234 W238 K239 A240	F220-K236 HydrophobicContact CB-CD 4.16Å; F220-K236 WeakPolarHBondContact O-CD 3.27Å; F220-K236 VanDerWaalsContact O-CE 3.28Å; F220-K236 WeakPolarHBondContact O-CE 3.3Å; F220-K236 PolarHBondContact O-NZ 3.4Å; I225-K236 WeakPolarHBondContact O-CB 3.41Å; E232-K236 WeakPolarHBondContact O-CE 3.41Å; T233-K236 HydrophobicContact CG2-CD 4.39Å; T233-K236 VanDerWaalsContact O-CB 3.31Å; T233-K236 WeakPolarHBondContact O-CB 3.49Å; T233-K236 PolarHBondContact O-N 2.99Å; V234-K236 VanDerWaalsContact C-N 3.3Å; V234-K236 PolarHBondContact O-N 2.88Å; K236-W238 VanDerWaalsContact C-N 3.33Å; K236-W238 PolarHBondContact O-N 2.79Å; K236-K239 PolarHBondContact O-N 3.46Å; K236-A240 WeakPolarHBondContact O-CB 3.43Å; K236-A240 PolarHBondContact O-N 3.21Å
237	T	98.9	Very high	98.6	Very high	1 Å²	1	53 Å²	53	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-56.9	-48	171.6	-52.1	0	0	0	0	111.2	S227 N228 T233 V234 E235 A240 L241 I267 M350	S227-T237 PolarHBondContact N-OG1 3.23Å; S227-T237 VanDerWaalsContact N-OG1 3.13Å; N228-T237 WeakPolarHBondContact OD1-CB 3.47Å; N228-T237 WeakPolarHBondContact OD1-CG2 3.44Å; N228-T237 PolarHBondContact OD1-OG1 2.86Å; T233-T237 PolarHBondContact O-N 2.86Å; V234-T237 WeakPolarHBondContact O-CB 3.4Å; V234-T237 PolarHBondContact O-N 2.72Å; E235-T237 VanDerWaalsContact C-N 3.3Å; E235-T237 PolarHBondContact O-N 3.23Å; T237-A240 PolarHBondContact O-N 2.92Å; T237-L241 PolarHBondContact O-N 3.04Å; T237-I267 HydrophobicContact CG2-CD1 4.07Å; T237-I267 HydrophobicContact CG2-CG1 3.87Å; T237-M350 HydrophobicContact CG2-CE 3.94Å
238	W	98.8	Very high	98.6	Very high	60 Å²	60	54.8 Å²	54.8	23%	0.227	27%	0.265	C	S	.	.	H	α-helix	trans	-65.2	-45	-179.9	174.2	-130.1	0	0	0	111.5	G149 A150 G151 E235 K236 A240 L241 Q242 Y274	G149-W238 VanDerWaalsContact O-CA 3.28Å; G149-W238 WeakPolarHBondContact O-CA 3.43Å; G149-W238 PolarHBondContact O-N 2.91Å; A150-W238 VanDerWaalsContact C-CE3 3.49Å; G151-W238 VanDerWaalsContact CA-CD2 3.43Å; E235-W238 PolarHBondContact O-N 3.41Å; K236-W238 VanDerWaalsContact C-N 3.33Å; K236-W238 PolarHBondContact O-N 2.79Å; W238-A240 VanDerWaalsContact C-N 3.32Å; W238-A240 PolarHBondContact O-N 3.47Å; W238-L241 HydrophobicContact CE3-CB 4.19Å; W238-L241 HydrophobicContact CE3-CD2 4.01Å; W238-L241 HydrophobicContact CE3-CG 4.32Å; W238-L241 HydrophobicContact CZ3-CB 4.48Å; W238-L241 HydrophobicContact CZ3-CD2 3.91Å; W238-L241 HydrophobicContact CZ3-CG 4.18Å; W238-L241 PolarHBondContact O-N 3.38Å; W238-L241 VanDerWaalsContact O-N 3.16Å; W238-Q242 HydrophobicContact CD2-CG 3.75Å; W238-Q242 VanDerWaalsContact CE2-CG 3.42Å; W238-Q242 HydrophobicContact CE3-CG 3.95Å; W238-Q242 HydrophobicContact CH2-CG 3.57Å; W238-Q242 HydrophobicContact CZ2-CG 3.34Å; W238-Q242 HydrophobicContact CZ3-CG 3.86Å; W238-Q242 VanDerWaalsContact NE1-CD 3.3Å; W238-Q242 WeakPolarHBondContact O-CG 3.42Å; W238-Q242 PolarHBondContact O-N 3.09Å; W238-Y274 HydrophobicContact CH2-CD2 4.07Å; W238-Y274 AromaticContact CH2-CE2 3.46Å; W238-Y274 HydrophobicContact CH2-CE2 3.46Å; W238-Y274 VanDerWaalsContact CH2-CE2 3.46Å; W238-Y274 AromaticContact CH2-CZ 3.69Å; W238-Y274 HydrophobicContact CZ3-CD2 4.05Å; W238-Y274 HydrophobicContact CZ3-CE1 4.35Å; W238-Y274 AromaticContact CZ3-CE2 3.83Å; W238-Y274 HydrophobicContact CZ3-CE2 3.83Å; W238-Y274 HydrophobicContact CZ3-CG 4.43Å; W238-Y274 AromaticContact CZ3-CZ 3.96Å
239	K	98.8	Very high	98.6	Very high	137 Å²	137	54.3 Å²	54.3	60%	0.596	26%	0.262	S	S	*	.	H	α-helix	trans	-60	-40.8	176.5	-170.6	173.3	-177.3	179	0	112.2	E235 K236 Q242 N243	E235-K239 PolarHBondContact O-N 3.14Å; K236-K239 PolarHBondContact O-N 3.46Å; K239-Q242 PolarHBondContact O-N 3.03Å; K239-N243 VanDerWaalsContact O-CB 3.32Å; K239-N243 WeakPolarHBondContact O-CB 3.37Å; K239-N243 VanDerWaalsContact O-CG 3.28Å; K239-N243 PolarHBondContact O-N 2.88Å; K239-N243 VanDerWaalsContact O-N 3.08Å; K239-N243 PolarHBondContact O-ND2 2.94Å
240	A	98.8	Very high	98.6	Very high	2 Å²	2	53.7 Å²	53.7	2%	0.017	26%	0.259	C	S	.	.	H	α-helix	trans	-62.2	-45.6	174.5	0	0	0	0	0	111.4	K236 T237 W238 Q242 N243 F244 M350	K236-A240 WeakPolarHBondContact O-CB 3.43Å; K236-A240 PolarHBondContact O-N 3.21Å; T237-A240 PolarHBondContact O-N 2.92Å; W238-A240 VanDerWaalsContact C-N 3.32Å; W238-A240 PolarHBondContact O-N 3.47Å; A240-Q242 PolarHBondContact O-N 3.19Å; A240-N243 PolarHBondContact O-N 3.43Å; A240-F244 PolarHBondContact O-N 3.44Å; A240-M350 HydrophobicContact CB-CG 4.1Å
241	L	98.8	Very high	98.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.6	-40.8	178	-178.5	56.9	0	0	0	112.8	T237 W238 F244 Y274 L275 M350	T237-L241 PolarHBondContact O-N 3.04Å; W238-L241 HydrophobicContact CE3-CB 4.19Å; W238-L241 HydrophobicContact CE3-CD2 4.01Å; W238-L241 HydrophobicContact CE3-CG 4.32Å; W238-L241 HydrophobicContact CZ3-CB 4.48Å; W238-L241 HydrophobicContact CZ3-CD2 3.91Å; W238-L241 HydrophobicContact CZ3-CG 4.18Å; W238-L241 PolarHBondContact O-N 3.38Å; W238-L241 VanDerWaalsContact O-N 3.16Å; L241-F244 WeakPolarHBondContact O-CB 3.3Å; L241-Y274 HydrophobicContact CD1-CD1 3.7Å; L241-Y274 HydrophobicContact CD1-CE1 4.42Å; L241-Y274 HydrophobicContact CD1-CG 4.42Å; L241-Y274 HydrophobicContact CD2-CD1 4.03Å; L241-Y274 HydrophobicContact CD2-CG 4.09Å; L241-Y274 HydrophobicContact CG-CD1 3.55Å; L241-Y274 HydrophobicContact CG-CE1 4.03Å; L241-Y274 HydrophobicContact CG-CG 4.14Å; L241-L275 HydrophobicContact CD1-CD2 4.46Å; L241-L275 HydrophobicContact CD1-CG 4.32Å; L241-M350 HydrophobicContact CB-CE 3.93Å; L241-M350 HydrophobicContact CB-SD 3.9Å; L241-M350 HydrophobicContact CD1-CE 4.46Å; L241-M350 HydrophobicContact CD1-SD 3.86Å; L241-M350 HydrophobicContact CG-SD 4.47Å
242	Q	98.6	Very high	98.7	Very high	82 Å²	82	50.4 Å²	50.4	38%	0.383	24%	0.241	S	C	.	.	H	α-helix	trans	-62.7	-44.9	175.7	-71.3	-177.6	-70.1	0	0	111.9	W238 K239 A240 F244 K280	W238-Q242 HydrophobicContact CD2-CG 3.75Å; W238-Q242 VanDerWaalsContact CE2-CG 3.42Å; W238-Q242 HydrophobicContact CE3-CG 3.95Å; W238-Q242 HydrophobicContact CH2-CG 3.57Å; W238-Q242 HydrophobicContact CZ2-CG 3.34Å; W238-Q242 HydrophobicContact CZ3-CG 3.86Å; W238-Q242 VanDerWaalsContact NE1-CD 3.3Å; W238-Q242 WeakPolarHBondContact O-CG 3.42Å; W238-Q242 PolarHBondContact O-N 3.09Å; K239-Q242 PolarHBondContact O-N 3.03Å; A240-Q242 PolarHBondContact O-N 3.19Å; Q242-F244 VanDerWaalsContact C-N 3.31Å; Q242-F244 PolarHBondContact O-N 3.26Å; Q242-K280 PolarHBondContact O-NZ 2.95Å
243	N	98.5	Very high	98.7	Very high	86 Å²	86	43.4 Å²	43.4	46%	0.46	21%	0.208	S	C	.	.	H	α-helix	trans	-80.9	-8.3	-174.9	-69.7	-22.9	0	0	0	113.9	K239 A240 K245	K239-N243 VanDerWaalsContact O-CB 3.32Å; K239-N243 WeakPolarHBondContact O-CB 3.37Å; K239-N243 VanDerWaalsContact O-CG 3.28Å; K239-N243 PolarHBondContact O-N 2.88Å; K239-N243 VanDerWaalsContact O-N 3.08Å; K239-N243 PolarHBondContact O-ND2 2.94Å; A240-N243 PolarHBondContact O-N 3.43Å; N243-K245 PolarHBondContact O-N 3.23Å
244	F	98.8	Very high	98.8	Very high	1 Å²	1	43.2 Å²	43.2	0%	0.004	21%	0.207	C	C	.	.			trans	-51.1	128.8	175.8	-175.1	-82.4	0	0	0	111.3	A240 L241 Q242 G247 A249 L275 K280 A284 E349 M350	A240-F244 PolarHBondContact O-N 3.44Å; L241-F244 WeakPolarHBondContact O-CB 3.3Å; Q242-F244 VanDerWaalsContact C-N 3.31Å; Q242-F244 PolarHBondContact O-N 3.26Å; F244-G247 WeakPolarHBondContact CZ-O 3.33Å; F244-A249 HydrophobicContact CD2-CB 4.43Å; F244-A249 HydrophobicContact CE2-CB 3.9Å; F244-L275 HydrophobicContact CB-CD2 4.27Å; F244-L275 HydrophobicContact CD1-CD2 3.46Å; F244-L275 VanDerWaalsContact CD1-CD2 3.46Å; F244-L275 HydrophobicContact CE1-CD2 4.02Å; F244-L275 HydrophobicContact CG-CD2 3.95Å; F244-K280 WeakPolarHBondContact O-CD 3.15Å; F244-K280 PolarHBondContact O-NZ 2.81Å; F244-A284 HydrophobicContact CE1-CB 3.6Å; F244-A284 HydrophobicContact CZ-CB 3.55Å; F244-E349 HydrophobicContact CD2-CB 3.92Å; F244-E349 HydrophobicContact CD2-CG 3.65Å; F244-E349 HydrophobicContact CE2-CB 3.64Å; F244-E349 HydrophobicContact CE2-CG 3.78Å; F244-E349 HydrophobicContact CG-CG 4.18Å; F244-E349 HydrophobicContact CZ-CB 4.36Å; F244-E349 HydrophobicContact CZ-CG 4.38Å; F244-M350 HydrophobicContact CD2-CB 3.88Å; F244-M350 HydrophobicContact CE2-CB 4.48Å
245	K	98.1	Very high	98.7	Very high	151 Å²	151	47.5 Å²	47.5	66%	0.657	23%	0.23	S	C	*	.			trans	-107.9	-65.6	179.1	-66.2	-86.4	-178.9	165.7	0	110.9	N243	N243-K245 PolarHBondContact O-N 3.23Å
246	E	98.6	Very high	98.7	Very high	121 Å²	121	44.1 Å²	44.1	57%	0.565	22%	0.217	S	C	*	.	S	Bend	trans	-162.7	151.4	-178.3	62.8	-167.7	-169.7	0	0	110.5	K283 E349	E246-K283 CarbonylContact C-O 3.06Å; E246-K283 VanDerWaalsContact CA-O 3.26Å; E246-K283 WeakPolarHBondContact CA-O 3.48Å; E246-K283 HydrophobicContact CB-CB 3.77Å; E246-K283 HydrophobicContact CB-CD 4.25Å; E246-E349 VanDerWaalsContact O-CB 3.27Å; E246-E349 WeakPolarHBondContact O-CB 3.42Å; E246-E349 WeakPolarHBondContact O-CG 3.48Å
247	G	98.7	Very high	98.6	Very high	32 Å²	32	43.7 Å²	43.7	33%	0.33	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	118.7	-150	179.6	0	0	0	0	0	113.3	F244 K283 A284 N285	F244-G247 WeakPolarHBondContact CZ-O 3.33Å; G247-K283 PolarHBondContact N-O 2.72Å; G247-A284 WeakPolarHBondContact O-CA 3.48Å; G247-N285 PolarHBondContact O-N 3.32Å
248	N	98.9	Very high	98.6	Very high	39 Å²	39	44.2 Å²	44.2	21%	0.209	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	129.2	-175.5	-57.5	-39.3	0	0	0	111.9	V250 N285 I287 E347 E349 M350	N248-V250 HydrophobicContact CB-CG2 3.85Å; N248-N285 CarbonylContact C-O 3.51Å; N248-N285 WeakPolarHBondContact CA-O 3.21Å; N248-N285 WeakPolarHBondContact OD1-CB 3.45Å; N248-N285 PolarHBondContact OD1-ND2 3.25Å; N248-I287 HydrophobicContact CB-CD1 4.08Å; N248-E347 VanDerWaalsContact CB-O 3.3Å; N248-E347 WeakPolarHBondContact CB-O 3.47Å; N248-E347 PolarHBondContact ND2-O 3.29Å; N248-E349 PolarHBondContact O-N 3.46Å; N248-M350 PolarHBondContact O-N 3.08Å; N248-M350 VanDerWaalsContact O-N 3.11Å
249	A	98.9	Very high	98.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	103.3	164.4	0	0	0	0	0	108.3	F244 F251 N285 I287 M350	F244-A249 HydrophobicContact CD2-CB 4.43Å; F244-A249 HydrophobicContact CE2-CB 3.9Å; A249-F251 HydrophobicContact CB-CE2 3.9Å; A249-F251 HydrophobicContact CB-CZ 4.36Å; A249-F251 WeakPolarHBondContact O-CD2 3.25Å; A249-F251 WeakPolarHBondContact O-CE2 3.43Å; A249-N285 PolarHBondContact N-O 2.97Å; A249-I287 PolarHBondContact O-N 3.29Å; A249-M350 CarbonylContact C-O 3.24Å; A249-M350 WeakPolarHBondContact CA-O 3.34Å; A249-M350 HydrophobicContact CB-CB 4.35Å
250	V	98.9	Very high	98.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131.6	-169.4	-174	0	0	0	0	110.7	N248 I287 F334 M350 L351 H352	N248-V250 HydrophobicContact CB-CG2 3.85Å; V250-I287 CarbonylContact C-O 3.45Å; V250-I287 WeakPolarHBondContact CA-O 3.12Å; V250-I287 HydrophobicContact CG2-CD1 4.43Å; V250-F334 HydrophobicContact CG1-CE2 4.22Å; V250-F334 HydrophobicContact CG1-CZ 3.72Å; V250-M350 PolarHBondContact N-O 3.39Å; V250-L351 HydrophobicContact CB-CD1 3.88Å; V250-L351 HydrophobicContact CG1-CD1 3.87Å; V250-L351 CarbonylContact O-C 3.54Å; V250-L351 WeakPolarHBondContact O-CA 3.46Å; V250-H352 PolarHBondContact O-N 2.93Å
251	F	98.9	Very high	98.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	138.4	-179.8	-58.5	-92.2	0	0	0	109	A249 I267 M268 S271 V286 I287 Y288 N289 M350 H352	A249-F251 HydrophobicContact CB-CE2 3.9Å; A249-F251 HydrophobicContact CB-CZ 4.36Å; A249-F251 WeakPolarHBondContact O-CD2 3.25Å; A249-F251 WeakPolarHBondContact O-CE2 3.43Å; F251-I267 HydrophobicContact CD1-CG2 3.72Å; F251-I267 HydrophobicContact CE1-CB 4.49Å; F251-I267 HydrophobicContact CE1-CG1 4.15Å; F251-I267 HydrophobicContact CE1-CG2 4.03Å; F251-M268 HydrophobicContact CB-CB 4.23Å; F251-M268 HydrophobicContact CD1-CB 3.96Å; F251-M268 HydrophobicContact CD2-CB 3.73Å; F251-M268 HydrophobicContact CD2-CG 3.72Å; F251-M268 HydrophobicContact CE1-CB 4.34Å; F251-M268 HydrophobicContact CE2-CB 4.13Å; F251-M268 HydrophobicContact CE2-CG 4.04Å; F251-M268 HydrophobicContact CG-CB 3.69Å; F251-M268 HydrophobicContact CG-CG 4.17Å; F251-M268 HydrophobicContact CZ-CB 4.44Å; F251-S271 WeakPolarHBondContact CE1-OG 3.27Å; F251-S271 VanDerWaalsContact CZ-CB 3.46Å; F251-S271 VanDerWaalsContact CZ-OG 3.3Å; F251-S271 WeakPolarHBondContact CZ-OG 3.36Å; F251-V286 HydrophobicContact CD2-CG1 4.32Å; F251-V286 HydrophobicContact CE2-CG1 3.96Å; F251-I287 PolarHBondContact N-O 2.77Å; F251-Y288 HydrophobicContact CB-CD2 3.76Å; F251-Y288 WeakPolarHBondContact O-CA 3.25Å; F251-Y288 WeakPolarHBondContact O-CD2 3.36Å; F251-N289 PolarHBondContact O-N 3.47Å; F251-M350 HydrophobicContact CE1-CE 4Å; F251-M350 HydrophobicContact CZ-CE 4.09Å; F251-M350 HydrophobicContact CZ-SD 4.34Å; F251-H352 HydrophobicContact CD1-CB 3.56Å; F251-H352 HydrophobicContact CE1-CB 3.88Å; F251-H352 HydrophobicContact CG-CB 4.45Å
252	T	98.9	Very high	98.1	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	153.1	-172.8	76.1	0	0	0	0	114.2	P264 N289 L322 F334 L351 H352 V353 T354	T252-P264 WeakPolarHBondContact O-CB 3.13Å; T252-N289 CarbonylContact C-O 3.54Å; T252-N289 VanDerWaalsContact CA-O 3.3Å; T252-N289 WeakPolarHBondContact CA-O 3.39Å; T252-L322 HydrophobicContact CG2-CB 4.14Å; T252-L322 HydrophobicContact CG2-CD2 3.97Å; T252-F334 HydrophobicContact CG2-CE1 3.71Å; T252-F334 HydrophobicContact CG2-CZ 3.86Å; T252-L351 HydrophobicContact CG2-CD1 4.01Å; T252-H352 PolarHBondContact N-O 3.44Å; T252-H352 VanDerWaalsContact N-O 3.11Å; T252-V353 WeakPolarHBondContact OG1-CA 3.37Å; T252-T354 WeakPolarHBondContact O-CB 3.4Å; T252-T354 PolarHBondContact O-OG1 2.79Å; T252-T354 PolarHBondContact OG1-N 2.67Å
253	F	98.9	Very high	98	Very high	7 Å²	7	35.8 Å²	35.8	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	126.3	167	-171.8	-68.7	0	0	0	109.7	V258 A261 P264 Y288 N289 T290 S291 L292	F253-V258 HydrophobicContact CE1-CG1 4.44Å; F253-V258 HydrophobicContact CE1-CG2 4.32Å; F253-V258 HydrophobicContact CE2-CG2 3.67Å; F253-V258 HydrophobicContact CZ-CG1 4.28Å; F253-V258 HydrophobicContact CZ-CG2 3.41Å; F253-V258 VanDerWaalsContact CZ-CG2 3.41Å; F253-A261 HydrophobicContact CE2-CB 3.92Å; F253-A261 WeakPolarHBondContact CE2-O 3.47Å; F253-A261 HydrophobicContact CZ-CB 4.19Å; F253-P264 HydrophobicContact CD2-CB 4.17Å; F253-P264 HydrophobicContact CD2-CG 3.76Å; F253-P264 HydrophobicContact CE2-CG 4.35Å; F253-Y288 HydrophobicContact CB-CE2 4.19Å; F253-Y288 WeakPolarHBondContact CB-OH 3.27Å; F253-Y288 WeakPolarHBondContact CD2-OH 3.38Å; F253-N289 PolarHBondContact N-O 2.8Å; F253-T290 WeakPolarHBondContact CB-OG1 3.28Å; F253-S291 WeakPolarHBondContact CD1-OG 3.36Å; F253-S291 PolarHBondContact O-N 2.79Å; F253-S291 VanDerWaalsContact O-N 3.11Å; F253-S291 PolarHBondContact O-OG 2.71Å; F253-L292 HydrophobicContact CD1-CD1 4.19Å; F253-L292 HydrophobicContact CD1-CD2 4.5Å; F253-L292 HydrophobicContact CD1-CG 3.88Å; F253-L292 HydrophobicContact CD2-CD1 4.47Å; F253-L292 HydrophobicContact CE1-CD1 3.73Å; F253-L292 HydrophobicContact CE1-CD2 3.87Å; F253-L292 HydrophobicContact CE1-CG 3.61Å; F253-L292 HydrophobicContact CE2-CD1 4Å; F253-L292 HydrophobicContact CZ-CD1 3.61Å; F253-L292 HydrophobicContact CZ-CD2 4.38Å; F253-L292 HydrophobicContact CZ-CG 4.05Å
254	P	98.8	Very high	98	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.019	18%	0.178	C	C	.	.			trans	-80.8	161.6	-170.2	36.4	-41	0	0	0	112.8	T256 V258 S291 N321 T354 P355 P356	P254-T256 PolarHBondContact O-N 2.93Å; P254-V258 HydrophobicContact CG-CG1 3.51Å; P254-S291 PolarHBondContact O-OG 3.28Å; P254-N321 WeakPolarHBondContact CA-OD1 3.39Å; P254-T354 VanDerWaalsContact CD-CG2 3.48Å; P254-T354 HydrophobicContact CG-CG2 4.11Å; P254-P355 WeakPolarHBondContact CG-O 3.47Å; P254-P356 HydrophobicContact CB-CB 4.31Å; P254-P356 HydrophobicContact CB-CG 4.04Å
255	N	98.4	Very high	98	Very high	89 Å²	89	31.7 Å²	31.7	48%	0.476	18%	0.179	S	C	.	.	S	Bend	trans	-80.7	51	173.6	-164.1	25.9	0	0	0	113.6	N321 L337	N255-N321 HydrophobicContact CB-CB 4.4Å; N255-N321 PolarHBondContact N-OD1 3.22Å; N255-N321 VanDerWaalsContact N-OD1 3.08Å; N255-L337 HydrophobicContact CB-CD1 4.24Å
256	T	98.2	Very high	98	Very high	38 Å²	38	24.8 Å²	24.8	23%	0.233	15%	0.148	C	C	.	.	S	Bend	trans	-145.5	163.2	178.5	60.4	0	0	0	0	110.8	P254 P356 M357	P254-T256 PolarHBondContact O-N 2.93Å; T256-P356 HydrophobicContact CG2-CB 3.92Å; T256-P356 WeakPolarHBondContact OG1-CA 3.27Å; T256-M357 WeakPolarHBondContact CB-O 3.36Å; T256-M357 PolarHBondContact OG1-N 3.33Å
257	P	96.8	Very high	98.1	Very high	68 Å²	68	19 Å²	19	44%	0.442	12%	0.121	S	C	.	.			trans	-53.9	144.9	162.6	-24.4	35.7	0	0	0	110.9	M357 W374	P257-M357 WeakPolarHBondContact O-CB 3.39Å; P257-W374 HydrophobicContact CB-CH2 4.39Å; P257-W374 HydrophobicContact CB-CZ2 3.92Å; P257-W374 HydrophobicContact CG-CZ2 3.92Å
258	V	97.6	Very high	98.1	Very high	12 Å²	12	17.5 Å²	17.5	7%	0.073	11%	0.106	C	C	.	.			trans	-135.8	151.3	179.4	-62.2	0	0	0	0	111.8	F253 P254 A261 T354 M357	F253-V258 HydrophobicContact CE1-CG1 4.44Å; F253-V258 HydrophobicContact CE1-CG2 4.32Å; F253-V258 HydrophobicContact CE2-CG2 3.67Å; F253-V258 HydrophobicContact CZ-CG1 4.28Å; F253-V258 HydrophobicContact CZ-CG2 3.41Å; F253-V258 VanDerWaalsContact CZ-CG2 3.41Å; P254-V258 HydrophobicContact CG-CG1 3.51Å; V258-A261 HydrophobicContact CG2-CB 3.83Å; V258-T354 HydrophobicContact CG1-CG2 4.36Å; V258-M357 HydrophobicContact CB-CE 3.99Å; V258-M357 HydrophobicContact CB-SD 3.89Å; V258-M357 HydrophobicContact CG1-CE 4.01Å; V258-M357 HydrophobicContact CG1-CG 4.42Å; V258-M357 HydrophobicContact CG1-SD 4.15Å
259	K	97.4	Very high	98.1	Very high	27 Å²	27	15.6 Å²	15.6	12%	0.117	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-74.4	135.7	163.3	65.1	-172.1	174.3	-173.9	0	109.9	L206 Y229 M357 D395 K403	L206-K259 HydrophobicContact CD1-CD 3.96Å; L206-K259 HydrophobicContact CD1-CG 4.39Å; L206-K259 HydrophobicContact CD2-CB 3.84Å; L206-K259 HydrophobicContact CD2-CD 4.47Å; L206-K259 HydrophobicContact CD2-CG 4.24Å; L206-K259 HydrophobicContact CG-CB 4.48Å; L206-K259 HydrophobicContact CG-CD 4.3Å; Y229-K259 HydrophobicContact CD1-CG 4.2Å; Y229-K259 HydrophobicContact CE1-CG 3.95Å; Y229-K259 WeakPolarHBondContact CE1-O 3.31Å; Y229-K259 PolarHBondContact OH-O 3.11Å; K259-M357 HydrophobicContact CG-CE 4.47Å; K259-M357 HydrophobicContact CG-SD 3.93Å; K259-M357 PolarHBondContact N-SD 2.91Å; K259-M357 VanDerWaalsContact N-SD 3.44Å; K259-D395 WeakPolarHBondContact CB-OD2 3.46Å; K259-K403 WeakPolarHBondContact CA-O 3.26Å
260	C	95.8	Very high	98.1	Very high	32 Å²	32	15.6 Å²	15.6	22%	0.216	10%	0.096	C	C	.	.	S	Bend	trans	48.5	71.2	-178.5	-163.1	0	0	0	0	113.3	Y229 G262 A263 K266 K403	Y229-C260 PolarHBondContact OH-O 3.37Å; C260-G262 PolarHBondContact O-N 3.3Å; C260-A263 HydrophobicContact CB-CB 4.21Å; C260-A263 WeakPolarHBondContact O-CB 3.43Å; C260-A263 PolarHBondContact O-N 3.09Å; C260-K266 PolarHBondContact SG-NZ 3.12Å; C260-K266 VanDerWaalsContact SG-NZ 3.37Å; C260-K403 PolarHBondContact N-O 2.89Å
261	A	94.6	Very high	98.1	Very high	35 Å²	35	15.6 Å²	15.6	29%	0.289	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-18.9	-178.9	0	0	0	0	0	115.5	F253 V258 P264	F253-A261 HydrophobicContact CE2-CB 3.92Å; F253-A261 WeakPolarHBondContact CE2-O 3.47Å; F253-A261 HydrophobicContact CZ-CB 4.19Å; V258-A261 HydrophobicContact CG2-CB 3.83Å; A261-P264 WeakPolarHBondContact O-CD 3.39Å
262	G	96.6	Very high	98.1	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.01	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-21.2	172.8	0	0	0	0	0	114.7	C260 Q265 K266	C260-G262 PolarHBondContact O-N 3.3Å; G262-Q265 WeakPolarHBondContact O-CG 3.44Å; G262-Q265 PolarHBondContact O-N 2.9Å; G262-K266 VanDerWaalsContact O-CG 3.28Å; G262-K266 WeakPolarHBondContact O-CG 3.43Å; G262-K266 PolarHBondContact O-N 2.82Å
263	A	97.9	Very high	98.1	Very high	8 Å²	8	16.4 Å²	16.4	7%	0.066	10%	0.103	C	C	.	.	H	α-helix	trans	-59.3	-34.5	-174.9	0	0	0	0	0	115.4	C260 Q265 K266 I267	C260-A263 HydrophobicContact CB-CB 4.21Å; C260-A263 WeakPolarHBondContact O-CB 3.43Å; C260-A263 PolarHBondContact O-N 3.09Å; A263-Q265 VanDerWaalsContact C-N 3.33Å; A263-Q265 PolarHBondContact O-N 3.23Å; A263-K266 PolarHBondContact O-N 3.17Å; A263-I267 PolarHBondContact O-N 3.39Å
264	P	98.7	Very high	98.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.3	-37.4	178	-27.5	40.6	0	0	0	113.4	Y229 T252 F253 A261 I267 Y288 T354	Y229-P264 HydrophobicContact CE2-CG 4.25Å; Y229-P264 VanDerWaalsContact OH-CD 3.25Å; Y229-P264 WeakPolarHBondContact OH-CD 3.3Å; Y229-P264 WeakPolarHBondContact OH-CG 3.43Å; T252-P264 WeakPolarHBondContact O-CB 3.13Å; F253-P264 HydrophobicContact CD2-CB 4.17Å; F253-P264 HydrophobicContact CD2-CG 3.76Å; F253-P264 HydrophobicContact CE2-CG 4.35Å; A261-P264 WeakPolarHBondContact O-CD 3.39Å; P264-I267 VanDerWaalsContact O-CG2 3.31Å; P264-I267 WeakPolarHBondContact O-CG2 3.38Å; P264-Y288 HydrophobicContact CB-CE2 3.87Å; P264-T354 VanDerWaalsContact CB-OG1 3.3Å; P264-T354 WeakPolarHBondContact CB-OG1 3.07Å; P264-T354 HydrophobicContact CG-CG2 3.81Å; P264-T354 WeakPolarHBondContact CG-OG1 3.31Å
265	Q	98.6	Very high	98.1	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.009	11%	0.107	C	C	.	.	H	α-helix	trans	-83.7	-25.1	175.2	58.5	179.5	-72.8	0	0	113.1	G262 A263 I267 M268 Y269 Y288 L295 L440	G262-Q265 WeakPolarHBondContact O-CG 3.44Å; G262-Q265 PolarHBondContact O-N 2.9Å; A263-Q265 VanDerWaalsContact C-N 3.33Å; A263-Q265 PolarHBondContact O-N 3.23Å; Q265-I267 VanDerWaalsContact C-N 3.33Å; Q265-I267 PolarHBondContact O-N 3.35Å; Q265-M268 HydrophobicContact CB-CE 4.28Å; Q265-M268 WeakPolarHBondContact O-CB 3.48Å; Q265-M268 PolarHBondContact O-N 2.7Å; Q265-Y269 HydrophobicContact CB-CE2 3.93Å; Q265-Y269 HydrophobicContact CG-CE2 3.99Å; Q265-Y269 WeakPolarHBondContact O-CD2 3.38Å; Q265-Y269 WeakPolarHBondContact O-CE2 3.41Å; Q265-Y269 PolarHBondContact O-N 3.33Å; Q265-Y269 PolarHBondContact OE1-OH 2.91Å; Q265-Y288 HydrophobicContact CB-CE1 4.27Å; Q265-Y288 HydrophobicContact CB-CE2 4.5Å; Q265-L295 PolarHBondContact NE2-O 3.06Å; Q265-L440 HydrophobicContact CG-CD2 4.49Å
266	K	98.9	Very high	98.1	Very high	5 Å²	5	18.3 Å²	18.3	2%	0.022	10%	0.103	C	C	.	.	H	α-helix	trans	-58.2	-45.2	174.6	-70.6	172.8	-148.2	-170.8	0	111.9	T146 C260 G262 A263 M268 Y269 L270 C438 P439 V441	T146-K266 HydrophobicContact CG2-CB 3.56Å; T146-K266 HydrophobicContact CG2-CD 4.03Å; T146-K266 HydrophobicContact CG2-CG 4.4Å; C260-K266 PolarHBondContact SG-NZ 3.12Å; C260-K266 VanDerWaalsContact SG-NZ 3.37Å; G262-K266 VanDerWaalsContact O-CG 3.28Å; G262-K266 WeakPolarHBondContact O-CG 3.43Å; G262-K266 PolarHBondContact O-N 2.82Å; A263-K266 PolarHBondContact O-N 3.17Å; K266-M268 VanDerWaalsContact C-N 3.31Å; K266-Y269 PolarHBondContact O-N 3.2Å; K266-L270 WeakPolarHBondContact O-CG 3.2Å; K266-L270 PolarHBondContact O-N 3.01Å; K266-C438 PolarHBondContact NZ-SG 3.16Å; K266-P439 WeakPolarHBondContact CD-O 3.41Å; K266-P439 WeakPolarHBondContact CE-O 3.06Å; K266-P439 PolarHBondContact NZ-O 2.95Å; K266-V441 HydrophobicContact CB-CB 4.4Å; K266-V441 HydrophobicContact CD-CB 4.47Å; K266-V441 HydrophobicContact CD-CG2 4.37Å; K266-V441 HydrophobicContact CG-CB 4.31Å
267	I	98.9	Very high	98.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-70.4	-29.1	179.1	-171.5	60.3	0	0	0	112.1	A150 N228 T237 F251 A263 P264 Q265 L270 S271 H352	A150-I267 HydrophobicContact CB-CD1 3.95Å; N228-I267 WeakPolarHBondContact ND2-CB 3.44Å; N228-I267 VanDerWaalsContact ND2-CG1 3.34Å; N228-I267 WeakPolarHBondContact ND2-CG1 3.38Å; T237-I267 HydrophobicContact CG2-CD1 4.07Å; T237-I267 HydrophobicContact CG2-CG1 3.87Å; F251-I267 HydrophobicContact CD1-CG2 3.72Å; F251-I267 HydrophobicContact CE1-CB 4.49Å; F251-I267 HydrophobicContact CE1-CG1 4.15Å; F251-I267 HydrophobicContact CE1-CG2 4.03Å; A263-I267 PolarHBondContact O-N 3.39Å; P264-I267 VanDerWaalsContact O-CG2 3.31Å; P264-I267 WeakPolarHBondContact O-CG2 3.38Å; Q265-I267 VanDerWaalsContact C-N 3.33Å; Q265-I267 PolarHBondContact O-N 3.35Å; I267-L270 HydrophobicContact CD1-CB 4.47Å; I267-L270 PolarHBondContact O-N 2.69Å; I267-S271 VanDerWaalsContact O-CB 3.28Å; I267-S271 WeakPolarHBondContact O-CB 3.39Å; I267-S271 PolarHBondContact O-N 2.96Å; I267-S271 PolarHBondContact O-OG 3.37Å; I267-H352 HydrophobicContact CG2-CB 4.45Å
268	M	98.9	Very high	98.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.9	-53.9	169.3	178.7	-165.1	60.2	0	0	110.5	F251 Q265 K266 L270 S271 D272 V286 Y288 L314	F251-M268 HydrophobicContact CB-CB 4.23Å; F251-M268 HydrophobicContact CD1-CB 3.96Å; F251-M268 HydrophobicContact CD2-CB 3.73Å; F251-M268 HydrophobicContact CD2-CG 3.72Å; F251-M268 HydrophobicContact CE1-CB 4.34Å; F251-M268 HydrophobicContact CE2-CB 4.13Å; F251-M268 HydrophobicContact CE2-CG 4.04Å; F251-M268 HydrophobicContact CG-CB 3.69Å; F251-M268 HydrophobicContact CG-CG 4.17Å; F251-M268 HydrophobicContact CZ-CB 4.44Å; Q265-M268 HydrophobicContact CB-CE 4.28Å; Q265-M268 WeakPolarHBondContact O-CB 3.48Å; Q265-M268 PolarHBondContact O-N 2.7Å; K266-M268 VanDerWaalsContact C-N 3.31Å; M268-L270 VanDerWaalsContact C-N 3.3Å; M268-L270 PolarHBondContact O-N 3.06Å; M268-S271 PolarHBondContact O-N 3.24Å; M268-S271 VanDerWaalsContact O-N 3.14Å; M268-D272 WeakPolarHBondContact O-CB 3.13Å; M268-D272 PolarHBondContact O-N 3.33Å; M268-V286 HydrophobicContact CG-CG1 3.53Å; M268-V286 HydrophobicContact SD-CG1 4.22Å; M268-Y288 WeakPolarHBondContact SD-CB 3.47Å; M268-Y288 HydrophobicContact SD-CG 4.22Å; M268-L314 HydrophobicContact CE-CD1 3.79Å; M268-L314 HydrophobicContact SD-CB 4.48Å; M268-L314 HydrophobicContact SD-CD1 4.17Å
269	Y	98.9	Very high	98.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.6	-38.7	-179.9	-56.7	-50.5	0	0	0	112.6	Q265 K266 A273 L305 I308 V309 L314 T442	Q265-Y269 HydrophobicContact CB-CE2 3.93Å; Q265-Y269 HydrophobicContact CG-CE2 3.99Å; Q265-Y269 WeakPolarHBondContact O-CD2 3.38Å; Q265-Y269 WeakPolarHBondContact O-CE2 3.41Å; Q265-Y269 PolarHBondContact O-N 3.33Å; Q265-Y269 PolarHBondContact OE1-OH 2.91Å; K266-Y269 PolarHBondContact O-N 3.2Å; Y269-A273 WeakPolarHBondContact O-CB 3.09Å; Y269-A273 PolarHBondContact O-N 3.04Å; Y269-L305 HydrophobicContact CE2-CD2 3.91Å; Y269-I308 HydrophobicContact CD1-CG2 3.87Å; Y269-I308 HydrophobicContact CE1-CG2 3.75Å; Y269-V309 HydrophobicContact CE1-CG2 4.37Å; Y269-L314 HydrophobicContact CD1-CD1 3.83Å; Y269-L314 HydrophobicContact CE1-CD1 3.93Å; Y269-T442 WeakPolarHBondContact CB-O 3.32Å; Y269-T442 HydrophobicContact CD2-CG2 4.14Å; Y269-T442 HydrophobicContact CE2-CG2 4.42Å
270	L	98.9	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-68.4	-37.9	176	-75.2	163.9	0	0	0	112.6	T146 L147 A150 K266 I267 M268 A273 Y274 V441 Y444	T146-L270 HydrophobicContact CG2-CD1 3.83Å; L147-L270 HydrophobicContact CD2-CD1 4.17Å; A150-L270 HydrophobicContact CB-CB 3.83Å; A150-L270 HydrophobicContact CB-CD1 3.72Å; A150-L270 HydrophobicContact CB-CD2 4.33Å; A150-L270 HydrophobicContact CB-CG 4.18Å; K266-L270 WeakPolarHBondContact O-CG 3.2Å; K266-L270 PolarHBondContact O-N 3.01Å; I267-L270 HydrophobicContact CD1-CB 4.47Å; I267-L270 PolarHBondContact O-N 2.69Å; M268-L270 VanDerWaalsContact C-N 3.3Å; M268-L270 PolarHBondContact O-N 3.06Å; L270-A273 PolarHBondContact O-N 3.49Å; L270-Y274 WeakPolarHBondContact O-CB 3.35Å; L270-Y274 PolarHBondContact O-N 3.1Å; L270-V441 HydrophobicContact CD1-CB 4.34Å; L270-V441 HydrophobicContact CD1-CG1 3.87Å; L270-V441 HydrophobicContact CD2-CG1 3.77Å; L270-V441 HydrophobicContact CG-CG1 3.94Å; L270-Y444 HydrophobicContact CD2-CD1 4.19Å; L270-Y444 HydrophobicContact CD2-CD2 4.08Å; L270-Y444 HydrophobicContact CD2-CE1 4.2Å; L270-Y444 HydrophobicContact CD2-CE2 4.08Å; L270-Y444 HydrophobicContact CD2-CG 4.11Å; L270-Y444 WeakPolarHBondContact O-CE2 3.33Å
271	S	98.9	Very high	98.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.1	-47	176.8	-59.7	0	0	0	0	110.7	F251 I267 M268 A273 Y274 L275	F251-S271 WeakPolarHBondContact CE1-OG 3.27Å; F251-S271 VanDerWaalsContact CZ-CB 3.46Å; F251-S271 VanDerWaalsContact CZ-OG 3.3Å; F251-S271 WeakPolarHBondContact CZ-OG 3.36Å; I267-S271 VanDerWaalsContact O-CB 3.28Å; I267-S271 WeakPolarHBondContact O-CB 3.39Å; I267-S271 PolarHBondContact O-N 2.96Å; I267-S271 PolarHBondContact O-OG 3.37Å; M268-S271 PolarHBondContact O-N 3.24Å; M268-S271 VanDerWaalsContact O-N 3.14Å; S271-A273 PolarHBondContact O-N 3.49Å; S271-Y274 WeakPolarHBondContact O-CB 3.22Å; S271-Y274 PolarHBondContact O-N 2.9Å; S271-Y274 VanDerWaalsContact O-N 3.11Å; S271-L275 WeakPolarHBondContact O-CB 3.34Å; S271-L275 VanDerWaalsContact O-CG 3.23Å; S271-L275 WeakPolarHBondContact O-CG 3.49Å; S271-L275 PolarHBondContact O-N 2.81Å
272	D	98.9	Very high	98.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58	-44.6	174.3	170.7	58.3	0	0	0	112.3	M268 Y274 L275 R276 R281 V286 R312 L314	M268-D272 WeakPolarHBondContact O-CB 3.13Å; M268-D272 PolarHBondContact O-N 3.33Å; D272-Y274 VanDerWaalsContact C-N 3.35Å; D272-Y274 PolarHBondContact O-N 3.32Å; D272-L275 PolarHBondContact O-N 3.23Å; D272-R276 PolarHBondContact O-N 3.17Å; D272-R276 IonicContact OD1-CZ 3.98Å; D272-R276 IonicContact OD1-NH1 3.4Å; D272-R276 PolarHBondContact OD1-NH1 3.24Å; D272-R276 IonicContact OD1-NH2 3.23Å; D272-R276 PolarHBondContact OD1-NH2 3.2Å; D272-R276 IonicContact OD2-CZ 2.68Å; D272-R276 IonicContact OD2-NH1 2.69Å; D272-R276 PolarHBondContact OD2-NH1 3.14Å; D272-R276 IonicContact OD2-NH2 2.97Å; D272-R276 PolarHBondContact OD2-NH2 3.46Å; D272-R281 WeakPolarHBondContact OD1-CD 3.34Å; D272-R281 IonicContact OD1-NE 2.75Å; D272-R281 PolarHBondContact OD1-NE 3.03Å; D272-V286 HydrophobicContact CB-CG2 4.43Å; D272-R312 VanDerWaalsContact OD2-CD 3.28Å; D272-R312 WeakPolarHBondContact OD2-CD 3.34Å; D272-L314 HydrophobicContact CB-CD2 4.03Å
273	A	98.8	Very high	98.6	Very high	18 Å²	18	37.2 Å²	37.2	15%	0.149	21%	0.206	C	C	.	.	H	α-helix	trans	-62.5	-38.5	173.6	0	0	0	0	0	113	Y269 L270 S271 K277 Y444	Y269-A273 WeakPolarHBondContact O-CB 3.09Å; Y269-A273 PolarHBondContact O-N 3.04Å; L270-A273 PolarHBondContact O-N 3.49Å; S271-A273 PolarHBondContact O-N 3.49Å; A273-K277 WeakPolarHBondContact O-CB 3.46Å; A273-K277 PolarHBondContact O-N 3.06Å; A273-Y444 HydrophobicContact CB-CD2 3.88Å; A273-Y444 HydrophobicContact CB-CE2 4.07Å
274	Y	98.9	Very high	98.7	Very high	38 Å²	38	37.2 Å²	37.2	15%	0.149	21%	0.205	C	C	.	.	H	α-helix	trans	-67.7	-43.2	177.1	180	-101.9	0	0	0	112.2	W238 L241 L270 S271 D272 R276 K277 T278	W238-Y274 HydrophobicContact CH2-CD2 4.07Å; W238-Y274 AromaticContact CH2-CE2 3.46Å; W238-Y274 HydrophobicContact CH2-CE2 3.46Å; W238-Y274 VanDerWaalsContact CH2-CE2 3.46Å; W238-Y274 AromaticContact CH2-CZ 3.69Å; W238-Y274 HydrophobicContact CZ3-CD2 4.05Å; W238-Y274 HydrophobicContact CZ3-CE1 4.35Å; W238-Y274 AromaticContact CZ3-CE2 3.83Å; W238-Y274 HydrophobicContact CZ3-CE2 3.83Å; W238-Y274 HydrophobicContact CZ3-CG 4.43Å; W238-Y274 AromaticContact CZ3-CZ 3.96Å; L241-Y274 HydrophobicContact CD1-CD1 3.7Å; L241-Y274 HydrophobicContact CD1-CE1 4.42Å; L241-Y274 HydrophobicContact CD1-CG 4.42Å; L241-Y274 HydrophobicContact CD2-CD1 4.03Å; L241-Y274 HydrophobicContact CD2-CG 4.09Å; L241-Y274 HydrophobicContact CG-CD1 3.55Å; L241-Y274 HydrophobicContact CG-CE1 4.03Å; L241-Y274 HydrophobicContact CG-CG 4.14Å; L270-Y274 WeakPolarHBondContact O-CB 3.35Å; L270-Y274 PolarHBondContact O-N 3.1Å; S271-Y274 WeakPolarHBondContact O-CB 3.22Å; S271-Y274 PolarHBondContact O-N 2.9Å; S271-Y274 VanDerWaalsContact O-N 3.11Å; D272-Y274 VanDerWaalsContact C-N 3.35Å; D272-Y274 PolarHBondContact O-N 3.32Å; Y274-R276 VanDerWaalsContact C-N 3.3Å; Y274-R276 PolarHBondContact O-N 3.33Å; Y274-K277 PolarHBondContact O-N 2.93Å; Y274-T278 HydrophobicContact CD1-CG2 4.38Å; Y274-T278 HydrophobicContact CD2-CG2 4.24Å; Y274-T278 HydrophobicContact CE1-CG2 3.96Å; Y274-T278 HydrophobicContact CE2-CG2 3.75Å; Y274-T278 WeakPolarHBondContact O-CG2 3.49Å; Y274-T278 PolarHBondContact O-N 3.42Å; Y274-T278 PolarHBondContact O-OG1 3.49Å
275	L	98.8	Very high	98.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.8	-35.4	178.5	-67.5	168.8	0	0	0	111.3	L241 F244 S271 D272 G279 K280 R281 A284 V286	L241-L275 HydrophobicContact CD1-CD2 4.46Å; L241-L275 HydrophobicContact CD1-CG 4.32Å; F244-L275 HydrophobicContact CB-CD2 4.27Å; F244-L275 HydrophobicContact CD1-CD2 3.46Å; F244-L275 VanDerWaalsContact CD1-CD2 3.46Å; F244-L275 HydrophobicContact CE1-CD2 4.02Å; F244-L275 HydrophobicContact CG-CD2 3.95Å; S271-L275 WeakPolarHBondContact O-CB 3.34Å; S271-L275 VanDerWaalsContact O-CG 3.23Å; S271-L275 WeakPolarHBondContact O-CG 3.49Å; S271-L275 PolarHBondContact O-N 2.81Å; D272-L275 PolarHBondContact O-N 3.23Å; L275-G279 PolarHBondContact O-N 3.36Å; L275-K280 HydrophobicContact CD2-CB 3.84Å; L275-K280 HydrophobicContact CD2-CD 4.35Å; L275-K280 PolarHBondContact O-N 3.16Å; L275-R281 HydrophobicContact CB-CB 4.25Å; L275-R281 PolarHBondContact O-N 2.81Å; L275-A284 HydrophobicContact CD1-CB 3.7Å; L275-V286 HydrophobicContact CD1-CG2 4.44Å
276	R	98.6	Very high	98.7	Very high	100 Å²	100	40.1 Å²	40.1	38%	0.377	22%	0.221	S	C	.	.	H	α-helix	trans	-64.8	-49.4	169.2	-72.9	-163.7	-166.9	77.8	12.5	111.8	D272 Y274 T278 G279 R281 R312	D272-R276 PolarHBondContact O-N 3.17Å; D272-R276 IonicContact OD1-CZ 3.98Å; D272-R276 IonicContact OD1-NH1 3.4Å; D272-R276 PolarHBondContact OD1-NH1 3.24Å; D272-R276 IonicContact OD1-NH2 3.23Å; D272-R276 PolarHBondContact OD1-NH2 3.2Å; D272-R276 IonicContact OD2-CZ 2.68Å; D272-R276 IonicContact OD2-NH1 2.69Å; D272-R276 PolarHBondContact OD2-NH1 3.14Å; D272-R276 IonicContact OD2-NH2 2.97Å; D272-R276 PolarHBondContact OD2-NH2 3.46Å; Y274-R276 VanDerWaalsContact C-N 3.3Å; Y274-R276 PolarHBondContact O-N 3.33Å; R276-T278 PolarHBondContact O-N 3.3Å; R276-G279 PolarHBondContact O-N 3.19Å; R276-G279 VanDerWaalsContact O-N 3.12Å; R276-R281 HydrophobicContact CB-CB 4.43Å; R276-R281 HydrophobicContact CG-CB 3.65Å; R276-R281 HydrophobicContact CG-CG 3.73Å; R276-R312 PolarHBondContact NH2-O 3.02Å
277	K	98.3	Very high	98.7	Very high	174 Å²	174	40.2 Å²	40.2	76%	0.757	22%	0.222	S	C	*	.	H	α-helix	trans	-57.3	-32.6	179.8	-177	-179.8	176.3	-175.5	0	112.8	A273 Y274	A273-K277 WeakPolarHBondContact O-CB 3.46Å; A273-K277 PolarHBondContact O-N 3.06Å; Y274-K277 PolarHBondContact O-N 2.93Å
278	T	98.4	Very high	98.7	Very high	54 Å²	54	40.3 Å²	40.3	33%	0.331	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	7.6	-177.7	55.7	0	0	0	0	114.1	Y274 R276 K280	Y274-T278 HydrophobicContact CD1-CG2 4.38Å; Y274-T278 HydrophobicContact CD2-CG2 4.24Å; Y274-T278 HydrophobicContact CE1-CG2 3.96Å; Y274-T278 HydrophobicContact CE2-CG2 3.75Å; Y274-T278 WeakPolarHBondContact O-CG2 3.49Å; Y274-T278 PolarHBondContact O-N 3.42Å; Y274-T278 PolarHBondContact O-OG1 3.49Å; R276-T278 PolarHBondContact O-N 3.3Å; T278-K280 VanDerWaalsContact C-N 3.26Å; T278-K280 PolarHBondContact O-N 3.23Å
279	G	98.3	Very high	98.7	Very high	67 Å²	67	40.7 Å²	40.7	69%	0.691	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.9	15.1	177.8	0	0	0	0	0	115	L275 R276	L275-G279 PolarHBondContact O-N 3.36Å; R276-G279 PolarHBondContact O-N 3.19Å; R276-G279 VanDerWaalsContact O-N 3.12Å
280	K	98.4	Very high	98.7	Very high	54 Å²	54	40.8 Å²	40.8	24%	0.235	23%	0.225	C	C	.	.			trans	-100.2	-7.5	-177.8	-61.1	-177	-174	178.7	0	114.3	Q242 F244 L275 T278 A282 K283 A284	Q242-K280 PolarHBondContact O-NZ 2.95Å; F244-K280 WeakPolarHBondContact O-CD 3.15Å; F244-K280 PolarHBondContact O-NZ 2.81Å; L275-K280 HydrophobicContact CD2-CB 3.84Å; L275-K280 HydrophobicContact CD2-CD 4.35Å; L275-K280 PolarHBondContact O-N 3.16Å; T278-K280 VanDerWaalsContact C-N 3.26Å; T278-K280 PolarHBondContact O-N 3.23Å; K280-A282 VanDerWaalsContact C-N 3.29Å; K280-A282 PolarHBondContact O-N 3.04Å; K280-K283 WeakPolarHBondContact O-CB 3.4Å; K280-K283 PolarHBondContact O-N 2.86Å; K280-A284 PolarHBondContact O-N 2.75Å
281	R	98.6	Very high	98.7	Very high	35 Å²	35	40.9 Å²	40.9	13%	0.132	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-58.7	-36.1	-175.2	178.4	58.7	-176.3	74.8	5.7	113.7	D272 L275 R276 K283 A284 R312 D313	D272-R281 WeakPolarHBondContact OD1-CD 3.34Å; D272-R281 IonicContact OD1-NE 2.75Å; D272-R281 PolarHBondContact OD1-NE 3.03Å; L275-R281 HydrophobicContact CB-CB 4.25Å; L275-R281 PolarHBondContact O-N 2.81Å; R276-R281 HydrophobicContact CB-CB 4.43Å; R276-R281 HydrophobicContact CG-CB 3.65Å; R276-R281 HydrophobicContact CG-CG 3.73Å; R281-K283 PolarHBondContact O-N 3.12Å; R281-A284 PolarHBondContact NH1-O 3.48Å; R281-A284 PolarHBondContact O-N 3.33Å; R281-R312 PolarHBondContact NH2-O 3.18Å; R281-D313 IonicContact CZ-OD2 3.93Å; R281-D313 IonicContact NH1-OD2 2.75Å; R281-D313 PolarHBondContact NH2-O 2.98Å; R281-D313 IonicContact NH2-OD2 3.45Å; R281-D313 PolarHBondContact NH2-OD2 2.99Å
282	A	98.4	Very high	98.7	Very high	106 Å²	106	43.6 Å²	43.6	88%	0.876	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-63.6	-20.4	177.1	0	0	0	0	0	113.3	K280	K280-A282 VanDerWaalsContact C-N 3.29Å; K280-A282 PolarHBondContact O-N 3.04Å
283	K	98.5	Very high	98.6	Very high	121 Å²	121	47.5 Å²	47.5	53%	0.526	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-98.1	2.6	177.4	-57.8	-171.1	174	-159.8	0	113.2	E246 G247 K280 R281	E246-K283 CarbonylContact C-O 3.06Å; E246-K283 VanDerWaalsContact CA-O 3.26Å; E246-K283 WeakPolarHBondContact CA-O 3.48Å; E246-K283 HydrophobicContact CB-CB 3.77Å; E246-K283 HydrophobicContact CB-CD 4.25Å; G247-K283 PolarHBondContact N-O 2.72Å; K280-K283 WeakPolarHBondContact O-CB 3.4Å; K280-K283 PolarHBondContact O-N 2.86Å; R281-K283 PolarHBondContact O-N 3.12Å
284	A	98.8	Very high	98.6	Very high	7 Å²	7	49.8 Å²	49.8	6%	0.058	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.7	-172.6	0	0	0	0	0	111.1	F244 G247 L275 K280 R281 V286	F244-A284 HydrophobicContact CE1-CB 3.6Å; F244-A284 HydrophobicContact CZ-CB 3.55Å; G247-A284 WeakPolarHBondContact O-CA 3.48Å; L275-A284 HydrophobicContact CD1-CB 3.7Å; K280-A284 PolarHBondContact O-N 2.75Å; R281-A284 PolarHBondContact NH1-O 3.48Å; R281-A284 PolarHBondContact O-N 3.33Å; A284-V286 HydrophobicContact CB-CG2 4.5Å
285	N	98.8	Very high	98.5	Very high	63 Å²	63	48.1 Å²	48.1	34%	0.337	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	111.6	163.5	-179.6	24.7	0	0	0	108.6	G247 N248 A249 I287	G247-N285 PolarHBondContact O-N 3.32Å; N248-N285 CarbonylContact C-O 3.51Å; N248-N285 WeakPolarHBondContact CA-O 3.21Å; N248-N285 WeakPolarHBondContact OD1-CB 3.45Å; N248-N285 PolarHBondContact OD1-ND2 3.25Å; A249-N285 PolarHBondContact N-O 2.97Å; N285-I287 WeakPolarHBondContact ND2-CD1 3.47Å
286	V	98.9	Very high	98.4	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	115.3	-175.2	-178.9	0	0	0	0	109.1	F251 M268 D272 L275 A284 L314 Q315	F251-V286 HydrophobicContact CD2-CG1 4.32Å; F251-V286 HydrophobicContact CE2-CG1 3.96Å; M268-V286 HydrophobicContact CG-CG1 3.53Å; M268-V286 HydrophobicContact SD-CG1 4.22Å; D272-V286 HydrophobicContact CB-CG2 4.43Å; L275-V286 HydrophobicContact CD1-CG2 4.44Å; A284-V286 HydrophobicContact CB-CG2 4.5Å; V286-L314 HydrophobicContact CB-CD2 3.84Å; V286-L314 HydrophobicContact CG1-CD2 3.87Å; V286-L314 HydrophobicContact CG2-CD2 4.37Å; V286-Q315 PolarHBondContact O-N 2.89Å
287	I	98.9	Very high	98.3	Very high	8 Å²	8	47.5 Å²	47.5	4%	0.041	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.3	-171.9	-48.4	176.4	0	0	0	110.4	N248 A249 V250 F251 N285 N289 Q315 N317	N248-I287 HydrophobicContact CB-CD1 4.08Å; A249-I287 PolarHBondContact O-N 3.29Å; V250-I287 CarbonylContact C-O 3.45Å; V250-I287 WeakPolarHBondContact CA-O 3.12Å; V250-I287 HydrophobicContact CG2-CD1 4.43Å; F251-I287 PolarHBondContact N-O 2.77Å; N285-I287 WeakPolarHBondContact ND2-CD1 3.47Å; I287-N289 WeakPolarHBondContact CG2-OD1 3.49Å; I287-Q315 CarbonylContact C-O 3.57Å; I287-Q315 WeakPolarHBondContact CA-O 3.21Å; I287-Q315 HydrophobicContact CG1-CB 4.36Å; I287-Q315 HydrophobicContact CG2-CB 4.49Å; I287-Q315 HydrophobicContact CG2-CG 4.4Å; I287-N317 WeakPolarHBondContact CG2-ND2 3.16Å
288	Y	98.9	Very high	98.2	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	109.4	169.7	-178.8	-124.1	0	0	0	110.7	F251 F253 P264 Q265 M268 T290 L295 Q315 V316 N317	F251-Y288 HydrophobicContact CB-CD2 3.76Å; F251-Y288 WeakPolarHBondContact O-CA 3.25Å; F251-Y288 WeakPolarHBondContact O-CD2 3.36Å; F253-Y288 HydrophobicContact CB-CE2 4.19Å; F253-Y288 WeakPolarHBondContact CB-OH 3.27Å; F253-Y288 WeakPolarHBondContact CD2-OH 3.38Å; P264-Y288 HydrophobicContact CB-CE2 3.87Å; Q265-Y288 HydrophobicContact CB-CE1 4.27Å; Q265-Y288 HydrophobicContact CB-CE2 4.5Å; M268-Y288 WeakPolarHBondContact SD-CB 3.47Å; M268-Y288 HydrophobicContact SD-CG 4.22Å; Y288-T290 HydrophobicContact CD1-CG2 4.14Å; Y288-T290 HydrophobicContact CE1-CG2 3.84Å; Y288-L295 HydrophobicContact CD1-CD1 4.11Å; Y288-L295 HydrophobicContact CE1-CD1 3.96Å; Y288-Q315 PolarHBondContact N-O 3.24Å; Y288-V316 HydrophobicContact CD1-CG1 4.08Å; Y288-V316 HydrophobicContact CD1-CG2 4.4Å; Y288-V316 WeakPolarHBondContact O-CA 3.02Å; Y288-N317 PolarHBondContact O-N 3.11Å
289	N	98.9	Very high	98.2	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.043	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	112.3	176.3	-70.9	-17	0	0	0	108.5	F251 T252 F253 I287 N317 Q320 F334	F251-N289 PolarHBondContact O-N 3.47Å; T252-N289 CarbonylContact C-O 3.54Å; T252-N289 VanDerWaalsContact CA-O 3.3Å; T252-N289 WeakPolarHBondContact CA-O 3.39Å; F253-N289 PolarHBondContact N-O 2.8Å; I287-N289 WeakPolarHBondContact CG2-OD1 3.49Å; N289-N317 WeakPolarHBondContact OD1-CB 3.43Å; N289-N317 PolarHBondContact OD1-ND2 2.99Å; N289-Q320 CarbonylContact C-O 3.37Å; N289-Q320 HydrophobicContact CB-CB 3.88Å; N289-F334 HydrophobicContact CB-CD1 3.66Å; N289-F334 HydrophobicContact CB-CE1 3.39Å; N289-F334 HydrophobicContact CB-CG 4.49Å; N289-F334 HydrophobicContact CB-CZ 4.05Å; N289-F334 WeakPolarHBondContact ND2-CD2 3.46Å; N289-F334 VanDerWaalsContact ND2-CE1 3.31Å; N289-F334 WeakPolarHBondContact ND2-CE1 3.37Å; N289-F334 VanDerWaalsContact ND2-CE2 3.27Å; N289-F334 WeakPolarHBondContact ND2-CE2 3.38Å; N289-F334 WeakPolarHBondContact ND2-CZ 3.38Å
290	T	98.8	Very high	98.2	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.7	-176	174.3	0	0	0	0	111.2	F253 Y288 L292 V316 N317 L318 R319 Q320	F253-T290 WeakPolarHBondContact CB-OG1 3.28Å; Y288-T290 HydrophobicContact CD1-CG2 4.14Å; Y288-T290 HydrophobicContact CE1-CG2 3.84Å; T290-L292 PolarHBondContact O-N 3.4Å; T290-L292 PolarHBondContact OG1-N 3.47Å; T290-V316 HydrophobicContact CG2-CG1 4.43Å; T290-N317 PolarHBondContact N-O 3.32Å; T290-L318 HydrophobicContact CG2-CD2 3.55Å; T290-L318 CarbonylContact O-C 3.47Å; T290-R319 WeakPolarHBondContact O-CA 3.45Å; T290-R319 PolarHBondContact O-N 3.19Å; T290-Q320 CarbonylContact C-O 3.51Å; T290-Q320 PolarHBondContact N-O 3.38Å; T290-Q320 PolarHBondContact O-N 2.84Å
291	S	98.8	Very high	98.2	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.014	24%	0.242	C	C	.	.	S	Bend	trans	-63.5	-23.8	173.1	64.7	0	0	0	0	113.2	F253 P254 R319 Q320 L337	F253-S291 WeakPolarHBondContact CD1-OG 3.36Å; F253-S291 PolarHBondContact O-N 2.79Å; F253-S291 VanDerWaalsContact O-N 3.11Å; F253-S291 PolarHBondContact O-OG 2.71Å; P254-S291 PolarHBondContact O-OG 3.28Å; S291-R319 PolarHBondContact O-NH1 3.45Å; S291-Q320 PolarHBondContact N-O 3.08Å; S291-L337 WeakPolarHBondContact O-CD1 3.35Å
292	L	98.3	Very high	98.1	Very high	57 Å²	57	40.7 Å²	40.7	30%	0.298	24%	0.239	S	C	.	.	S	Bend	trans	-71.6	149.3	-175.7	-60.6	-179	0	0	0	112.2	F253 T290 V294 R319	F253-L292 HydrophobicContact CD1-CD1 4.19Å; F253-L292 HydrophobicContact CD1-CD2 4.5Å; F253-L292 HydrophobicContact CD1-CG 3.88Å; F253-L292 HydrophobicContact CD2-CD1 4.47Å; F253-L292 HydrophobicContact CE1-CD1 3.73Å; F253-L292 HydrophobicContact CE1-CD2 3.87Å; F253-L292 HydrophobicContact CE1-CG 3.61Å; F253-L292 HydrophobicContact CE2-CD1 4Å; F253-L292 HydrophobicContact CZ-CD1 3.61Å; F253-L292 HydrophobicContact CZ-CD2 4.38Å; F253-L292 HydrophobicContact CZ-CG 4.05Å; T290-L292 PolarHBondContact O-N 3.4Å; T290-L292 PolarHBondContact OG1-N 3.47Å; L292-V294 WeakPolarHBondContact CB-O 3.25Å; L292-V294 PolarHBondContact O-N 3.24Å; L292-R319 PolarHBondContact O-N 2.87Å
293	P	97.9	Very high	98.1	Very high	82 Å²	82	38.9 Å²	38.9	53%	0.532	22%	0.215	S	C	.	.	S	Bend	trans	-76.5	-2.1	171	32.3	-35.8	0	0	0	113.4	L318	P293-L318 WeakPolarHBondContact O-CD1 3.34Å
294	V	97.7	Very high	98.1	Very high	67 Å²	67	34.6 Å²	34.6	41%	0.406	20%	0.199	S	C	.	.	S	Bend	trans	-142.1	153.7	-177.1	-64.6	0	0	0	0	110.6	L292	L292-V294 WeakPolarHBondContact CB-O 3.25Å; L292-V294 PolarHBondContact O-N 3.24Å
295	L	96.9	Very high	98.1	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.016	20%	0.196	C	C	.	.	S	Bend	trans	-72.5	-35.3	175.4	-178.4	58.5	0	0	0	112.5	Q265 Y288 L305 W306 V309 V316	Q265-L295 PolarHBondContact NE2-O 3.06Å; Y288-L295 HydrophobicContact CD1-CD1 4.11Å; Y288-L295 HydrophobicContact CE1-CD1 3.96Å; L295-L305 HydrophobicContact CD2-CB 3.63Å; L295-L305 HydrophobicContact CG-CB 4.26Å; L295-W306 HydrophobicContact CB-CD2 4.42Å; L295-W306 HydrophobicContact CB-CZ2 3.77Å; L295-W306 HydrophobicContact CD2-CD2 3.84Å; L295-W306 HydrophobicContact CD2-CE3 4.15Å; L295-W306 HydrophobicContact CD2-CG 4.15Å; L295-W306 HydrophobicContact CD2-CZ2 4.45Å; L295-V309 HydrophobicContact CD2-CG2 3.87Å; L295-V316 HydrophobicContact CD1-CG1 4.36Å; L295-V316 HydrophobicContact CD1-CG2 4.5Å
296	F	97.8	Very high	98.1	Very high	19 Å²	19	35.9 Å²	35.9	8%	0.083	20%	0.198	C	C	.	.			trans	-154.4	144.5	175.1	-160.9	-105.5	0	0	0	110.1	I298 Y301 A302 L305 C438 L440 A450 F452	F296-I298 VanDerWaalsContact C-N 3.27Å; F296-I298 HydrophobicContact CD1-CB 4.11Å; F296-I298 HydrophobicContact CD1-CG1 4.37Å; F296-I298 HydrophobicContact CE1-CB 4.11Å; F296-I298 HydrophobicContact CE1-CG1 4Å; F296-I298 PolarHBondContact O-N 2.95Å; F296-Y301 HydrophobicContact CD1-CD2 4.44Å; F296-Y301 AromaticContact CE1-CD2 3.99Å; F296-Y301 HydrophobicContact CE1-CD2 3.99Å; F296-Y301 HydrophobicContact CE1-CG 4.46Å; F296-A302 HydrophobicContact CB-CB 4.03Å; F296-A302 WeakPolarHBondContact O-CB 3.45Å; F296-L305 HydrophobicContact CB-CD1 3.67Å; F296-L305 HydrophobicContact CD2-CD1 4.29Å; F296-L305 HydrophobicContact CG-CD1 3.99Å; F296-C438 HydrophobicContact CE2-CB 4.48Å; F296-C438 HydrophobicContact CZ-CB 4.16Å; F296-L440 HydrophobicContact CD2-CD2 4.35Å; F296-L440 HydrophobicContact CE2-CD1 4.26Å; F296-L440 HydrophobicContact CE2-CD2 4.06Å; F296-L440 HydrophobicContact CZ-CD1 4.26Å; F296-A450 HydrophobicContact CE1-CB 3.92Å; F296-A450 HydrophobicContact CZ-CB 3.95Å; F296-F452 HydrophobicContact CE1-CE1 4.07Å; F296-F452 AromaticContact CZ-CE1 3.93Å; F296-F452 HydrophobicContact CZ-CE1 3.93Å; F296-F452 HydrophobicContact CZ-CZ 4.43Å
297	G	95.4	Very high	98.1	Very high	67 Å²	67	41 Å²	41	69%	0.691	23%	0.225	S	C	*	.	S	Bend	trans	-72.7	-13.7	-170.8	0	0	0	0	0	115.5
298	I	97.6	Very high	98.1	Very high	14 Å²	14	40.8 Å²	40.8	7%	0.072	22%	0.224	C	C	.	.	S	Bend	trans	-114.1	112.5	-176.3	-49	-51.2	0	0	0	109.3	F296 K300 Y301 A302 F452 G456 P458	F296-I298 VanDerWaalsContact C-N 3.27Å; F296-I298 HydrophobicContact CD1-CB 4.11Å; F296-I298 HydrophobicContact CD1-CG1 4.37Å; F296-I298 HydrophobicContact CE1-CB 4.11Å; F296-I298 HydrophobicContact CE1-CG1 4Å; F296-I298 PolarHBondContact O-N 2.95Å; I298-K300 VanDerWaalsContact C-N 3.34Å; I298-K300 PolarHBondContact O-N 3.2Å; I298-Y301 HydrophobicContact CB-CD2 3.74Å; I298-Y301 HydrophobicContact CB-CE2 4.27Å; I298-Y301 HydrophobicContact CG1-CD2 4.39Å; I298-Y301 HydrophobicContact CG2-CD2 3.62Å; I298-Y301 HydrophobicContact CG2-CE2 3.78Å; I298-Y301 PolarHBondContact O-N 3.28Å; I298-A302 PolarHBondContact O-N 2.75Å; I298-F452 HydrophobicContact CD1-CB 4.26Å; I298-F452 HydrophobicContact CD1-CD1 4.43Å; I298-F452 HydrophobicContact CD1-CD2 3.85Å; I298-F452 HydrophobicContact CD1-CE2 4.25Å; I298-F452 HydrophobicContact CD1-CG 3.94Å; I298-F452 HydrophobicContact CG1-CB 4.13Å; I298-F452 HydrophobicContact CG1-CD1 3.69Å; I298-F452 HydrophobicContact CG1-CD2 4.01Å; I298-F452 HydrophobicContact CG1-CE1 4.03Å; I298-F452 HydrophobicContact CG1-CE2 4.3Å; I298-F452 HydrophobicContact CG1-CG 3.68Å; I298-F452 HydrophobicContact CG1-CZ 4.31Å; I298-G456 WeakPolarHBondContact CD1-O 3.27Å; I298-P458 HydrophobicContact CG2-CG 4.17Å
299	K	96.9	Very high	98.1	Very high	147 Å²	147	41.1 Å²	41.1	64%	0.639	23%	0.226	S	C	*	.	H	α-helix	trans	-50	-48	-170.2	-169	-174	-173.8	-48.2	0	113.5	Y301 A302 D303	K299-Y301 PolarHBondContact O-N 2.75Å; K299-Y301 VanDerWaalsContact O-N 3.16Å; K299-A302 PolarHBondContact O-N 2.96Å; K299-D303 IonicContact NZ-OD1 2.86Å; K299-D303 PolarHBondContact NZ-OD1 2.99Å; K299-D303 IonicContact NZ-OD2 2.69Å; K299-D303 PolarHBondContact NZ-OD2 3.43Å; K299-D303 VanDerWaalsContact O-CG 3.23Å; K299-D303 PolarHBondContact O-N 3.08Å
300	K	98.1	Very high	98	Very high	71 Å²	71	49.3 Å²	49.3	31%	0.309	26%	0.262	S	S	.	.	H	α-helix	trans	-50.5	-43.9	-179.9	-175.3	-174.1	-177	-174	0	112.8	I298 P458 E460 N465 A467	I298-K300 VanDerWaalsContact C-N 3.34Å; I298-K300 PolarHBondContact O-N 3.2Å; K300-P458 HydrophobicContact CB-CG 4.01Å; K300-P458 HydrophobicContact CD-CB 4.03Å; K300-P458 HydrophobicContact CD-CG 3.76Å; K300-E460 WeakPolarHBondContact CE-OE1 3.31Å; K300-E460 IonicContact NZ-OE1 3Å; K300-E460 PolarHBondContact NZ-OE1 2.74Å; K300-E460 IonicContact NZ-OE2 2.75Å; K300-E460 PolarHBondContact NZ-OE2 3.18Å; K300-N465 WeakPolarHBondContact CE-OD1 3.43Å; K300-A467 HydrophobicContact CD-CB 4.42Å; K300-A467 HydrophobicContact CG-CB 4.01Å
301	Y	98.4	Very high	98	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-84.8	-35.3	179.7	-50	-62.4	0	0	0	111.2	F296 I298 K299 D303 T304 L305 V448 A450 E451 F452 E460 A467	F296-Y301 HydrophobicContact CD1-CD2 4.44Å; F296-Y301 AromaticContact CE1-CD2 3.99Å; F296-Y301 HydrophobicContact CE1-CD2 3.99Å; F296-Y301 HydrophobicContact CE1-CG 4.46Å; I298-Y301 HydrophobicContact CB-CD2 3.74Å; I298-Y301 HydrophobicContact CB-CE2 4.27Å; I298-Y301 HydrophobicContact CG1-CD2 4.39Å; I298-Y301 HydrophobicContact CG2-CD2 3.62Å; I298-Y301 HydrophobicContact CG2-CE2 3.78Å; I298-Y301 PolarHBondContact O-N 3.28Å; K299-Y301 PolarHBondContact O-N 2.75Å; K299-Y301 VanDerWaalsContact O-N 3.16Å; Y301-D303 VanDerWaalsContact C-N 3.34Å; Y301-D303 PolarHBondContact O-N 3.1Å; Y301-T304 PolarHBondContact O-N 3.18Å; Y301-L305 VanDerWaalsContact O-CG 3.26Å; Y301-L305 WeakPolarHBondContact O-CG 3.4Å; Y301-L305 PolarHBondContact O-N 2.78Å; Y301-V448 HydrophobicContact CD1-CG1 4.14Å; Y301-A450 HydrophobicContact CD1-CB 4Å; Y301-A450 HydrophobicContact CD2-CB 3.45Å; Y301-A450 VanDerWaalsContact CD2-CB 3.45Å; Y301-A450 HydrophobicContact CE1-CB 4.17Å; Y301-A450 HydrophobicContact CE2-CB 3.66Å; Y301-A450 HydrophobicContact CG-CB 3.66Å; Y301-E451 PolarHBondContact OH-N 3.27Å; Y301-E451 VanDerWaalsContact OH-N 3.11Å; Y301-E451 PolarHBondContact OH-O 2.8Å; Y301-F452 HydrophobicContact CE2-CD1 4.37Å; Y301-E460 WeakPolarHBondContact CE1-OE1 3.3Å; Y301-E460 VanDerWaalsContact OH-CG 3.32Å; Y301-E460 WeakPolarHBondContact OH-CG 3.2Å; Y301-E460 PolarHBondContact OH-OE1 3.4Å; Y301-A467 HydrophobicContact CD1-CB 3.86Å; Y301-A467 HydrophobicContact CE1-CB 4.22Å
302	A	98.1	Very high	98	Very high	9 Å²	9	55.1 Å²	55.1	7%	0.074	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-43	176.5	0	0	0	0	0	112.3	F296 I298 K299 T304 L305 W306	F296-A302 HydrophobicContact CB-CB 4.03Å; F296-A302 WeakPolarHBondContact O-CB 3.45Å; I298-A302 PolarHBondContact O-N 2.75Å; K299-A302 PolarHBondContact O-N 2.96Å; A302-T304 PolarHBondContact O-N 3.48Å; A302-L305 PolarHBondContact O-N 3.07Å; A302-L305 VanDerWaalsContact O-N 3.15Å; A302-W306 VanDerWaalsContact O-CD1 3.25Å; A302-W306 PolarHBondContact O-N 3.46Å
303	D	98.3	Very high	98	Very high	68 Å²	68	57.9 Å²	57.9	36%	0.364	31%	0.313	S	S	.	.	H	α-helix	trans	-56.5	-49.4	177.3	-66.8	-18.3	0	0	0	110.5	K299 Y301 L305 W306 D307	K299-D303 IonicContact NZ-OD1 2.86Å; K299-D303 PolarHBondContact NZ-OD1 2.99Å; K299-D303 IonicContact NZ-OD2 2.69Å; K299-D303 PolarHBondContact NZ-OD2 3.43Å; K299-D303 VanDerWaalsContact O-CG 3.23Å; K299-D303 PolarHBondContact O-N 3.08Å; Y301-D303 VanDerWaalsContact C-N 3.34Å; Y301-D303 PolarHBondContact O-N 3.1Å; D303-L305 VanDerWaalsContact C-N 3.33Å; D303-L305 PolarHBondContact O-N 2.81Å; D303-W306 PolarHBondContact O-N 3.34Å; D303-D307 PolarHBondContact O-N 2.9Å
304	T	98.2	Very high	98	Very high	31 Å²	31	54.6 Å²	54.6	19%	0.19	29%	0.29	C	S	.	.	H	α-helix	trans	-65.2	-35.3	177.3	-55.4	0	0	0	0	112.9	Y301 A302 D307 I308 V448 A467	Y301-T304 PolarHBondContact O-N 3.18Å; A302-T304 PolarHBondContact O-N 3.48Å; T304-D307 PolarHBondContact O-N 3.06Å; T304-I308 HydrophobicContact CG2-CD1 4.38Å; T304-I308 WeakPolarHBondContact O-CG1 3.35Å; T304-I308 PolarHBondContact O-N 3.44Å; T304-V448 HydrophobicContact CG2-CG2 4.35Å; T304-A467 WeakPolarHBondContact CG2-O 3.37Å
305	L	98.6	Very high	98.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-68.1	-36.4	176.4	-66.4	170.1	0	0	0	111.6	Y269 L295 F296 Y301 A302 D303 I308 V309 L440 T442	Y269-L305 HydrophobicContact CE2-CD2 3.91Å; L295-L305 HydrophobicContact CD2-CB 3.63Å; L295-L305 HydrophobicContact CG-CB 4.26Å; F296-L305 HydrophobicContact CB-CD1 3.67Å; F296-L305 HydrophobicContact CD2-CD1 4.29Å; F296-L305 HydrophobicContact CG-CD1 3.99Å; Y301-L305 VanDerWaalsContact O-CG 3.26Å; Y301-L305 WeakPolarHBondContact O-CG 3.4Å; Y301-L305 PolarHBondContact O-N 2.78Å; A302-L305 PolarHBondContact O-N 3.07Å; A302-L305 VanDerWaalsContact O-N 3.15Å; D303-L305 VanDerWaalsContact C-N 3.33Å; D303-L305 PolarHBondContact O-N 2.81Å; L305-I308 HydrophobicContact CD2-CD1 4.48Å; L305-I308 WeakPolarHBondContact O-CB 3.44Å; L305-I308 PolarHBondContact O-N 3.19Å; L305-V309 VanDerWaalsContact O-CG2 3.31Å; L305-V309 WeakPolarHBondContact O-CG2 3.23Å; L305-V309 PolarHBondContact O-N 3.02Å; L305-L440 HydrophobicContact CD1-CD1 3.96Å; L305-L440 HydrophobicContact CD2-CD1 4.3Å; L305-L440 HydrophobicContact CG-CD1 4.49Å; L305-T442 HydrophobicContact CD2-CG2 4.3Å
306	W	98.6	Very high	98.2	Very high	97 Å²	97	55.6 Å²	55.6	37%	0.367	29%	0.292	S	S	.	.	H	α-helix	trans	-65.6	-38.5	172.4	-79.7	121.7	0	0	0	112.5	L295 A302 D303 I308 V309 K310 V316 L318	L295-W306 HydrophobicContact CB-CD2 4.42Å; L295-W306 HydrophobicContact CB-CZ2 3.77Å; L295-W306 HydrophobicContact CD2-CD2 3.84Å; L295-W306 HydrophobicContact CD2-CE3 4.15Å; L295-W306 HydrophobicContact CD2-CG 4.15Å; L295-W306 HydrophobicContact CD2-CZ2 4.45Å; A302-W306 VanDerWaalsContact O-CD1 3.25Å; A302-W306 PolarHBondContact O-N 3.46Å; D303-W306 PolarHBondContact O-N 3.34Å; W306-I308 VanDerWaalsContact C-N 3.3Å; W306-I308 PolarHBondContact O-N 2.84Å; W306-V309 HydrophobicContact CE3-CB 4.15Å; W306-V309 HydrophobicContact CE3-CG1 3.91Å; W306-V309 HydrophobicContact CZ3-CG1 3.98Å; W306-V309 PolarHBondContact O-N 3.39Å; W306-K310 WeakPolarHBondContact O-CB 3.05Å; W306-K310 PolarHBondContact O-N 3.49Å; W306-V316 HydrophobicContact CH2-CB 3.99Å; W306-V316 HydrophobicContact CH2-CG1 3.82Å; W306-V316 HydrophobicContact CZ3-CB 3.95Å; W306-V316 HydrophobicContact CZ3-CG1 4.26Å; W306-V316 HydrophobicContact CZ3-CG2 4.29Å; W306-L318 HydrophobicContact CH2-CD1 4.44Å; W306-L318 HydrophobicContact CH2-CD2 4.48Å; W306-L318 HydrophobicContact CZ2-CD1 4.21Å; W306-L318 HydrophobicContact CZ2-CD2 4.43Å
307	D	98.6	Very high	98.2	Very high	107 Å²	107	56.8 Å²	56.8	57%	0.572	30%	0.299	S	S	*	.	H	α-helix	trans	-60.7	-40.6	172.4	-69	-27	0	0	0	111.6	D303 T304 S311	D303-D307 PolarHBondContact O-N 2.9Å; T304-D307 PolarHBondContact O-N 3.06Å; D307-S311 VanDerWaalsContact O-CB 3.26Å; D307-S311 WeakPolarHBondContact O-CB 3.39Å; D307-S311 PolarHBondContact O-N 2.9Å; D307-S311 PolarHBondContact O-OG 3.39Å
308	I	98.6	Very high	98.4	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.026	28%	0.28	C	S	.	.	H	α-helix	trans	-63.5	-47.8	174.3	-71.3	169.3	0	0	0	110.7	Y269 T304 L305 W306 K310 S311 R312 T442 E469	Y269-I308 HydrophobicContact CD1-CG2 3.87Å; Y269-I308 HydrophobicContact CE1-CG2 3.75Å; T304-I308 HydrophobicContact CG2-CD1 4.38Å; T304-I308 WeakPolarHBondContact O-CG1 3.35Å; T304-I308 PolarHBondContact O-N 3.44Å; L305-I308 HydrophobicContact CD2-CD1 4.48Å; L305-I308 WeakPolarHBondContact O-CB 3.44Å; L305-I308 PolarHBondContact O-N 3.19Å; W306-I308 VanDerWaalsContact C-N 3.3Å; W306-I308 PolarHBondContact O-N 2.84Å; I308-K310 VanDerWaalsContact C-N 3.34Å; I308-K310 PolarHBondContact O-N 3.5Å; I308-S311 WeakPolarHBondContact CA-OG 3.4Å; I308-S311 PolarHBondContact O-N 3.16Å; I308-S311 PolarHBondContact O-OG 3.22Å; I308-S311 VanDerWaalsContact O-OG 3.12Å; I308-R312 WeakPolarHBondContact O-CB 3.28Å; I308-R312 VanDerWaalsContact O-CG 3.31Å; I308-R312 WeakPolarHBondContact O-CG 3.32Å; I308-R312 PolarHBondContact O-N 3.41Å; I308-T442 HydrophobicContact CD1-CG2 3.57Å; I308-E469 HydrophobicContact CD1-CG 3.81Å
309	V	98.7	Very high	98.4	Very high	8 Å²	8	58.6 Å²	58.6	5%	0.048	29%	0.288	C	S	.	.	H	α-helix	trans	-56.5	-48.2	178	163.1	0	0	0	0	110.8	Y269 L295 L305 W306 D313 L314 V316	Y269-V309 HydrophobicContact CE1-CG2 4.37Å; L295-V309 HydrophobicContact CD2-CG2 3.87Å; L305-V309 VanDerWaalsContact O-CG2 3.31Å; L305-V309 WeakPolarHBondContact O-CG2 3.23Å; L305-V309 PolarHBondContact O-N 3.02Å; W306-V309 HydrophobicContact CE3-CB 4.15Å; W306-V309 HydrophobicContact CE3-CG1 3.91Å; W306-V309 HydrophobicContact CZ3-CG1 3.98Å; W306-V309 PolarHBondContact O-N 3.39Å; V309-D313 PolarHBondContact O-N 3.35Å; V309-D313 VanDerWaalsContact O-N 3.16Å; V309-L314 HydrophobicContact CG1-CB 4.21Å; V309-L314 VanDerWaalsContact CG1-O 3.31Å; V309-L314 WeakPolarHBondContact CG1-O 3.37Å; V309-L314 HydrophobicContact CG2-CB 4.49Å; V309-L314 HydrophobicContact CG2-CD1 4.45Å; V309-L314 PolarHBondContact O-N 3.22Å; V309-V316 HydrophobicContact CB-CG2 4.46Å; V309-V316 HydrophobicContact CG1-CG2 3.75Å; V309-V316 HydrophobicContact CG2-CG2 3.79Å
310	K	98.6	Very high	98.5	Very high	181 Å²	181	52.9 Å²	52.9	79%	0.787	26%	0.264	S	S	*	.	H	α-helix	trans	-66.3	-49.1	179.7	-174.5	178.5	-179.8	-179.7	0	112.4	W306 I308 R312 D313	W306-K310 WeakPolarHBondContact O-CB 3.05Å; W306-K310 PolarHBondContact O-N 3.49Å; I308-K310 VanDerWaalsContact C-N 3.34Å; I308-K310 PolarHBondContact O-N 3.5Å; K310-R312 PolarHBondContact O-N 3.32Å; K310-D313 PolarHBondContact O-N 2.89Å
311	S	98.3	Very high	98.5	Very high	93 Å²	93	50.2 Å²	50.2	65%	0.65	25%	0.253	S	S	*	.	H	α-helix	trans	-66.3	-22.9	-177.8	59.3	0	0	0	0	113.7	D307 I308	D307-S311 VanDerWaalsContact O-CB 3.26Å; D307-S311 WeakPolarHBondContact O-CB 3.39Å; D307-S311 PolarHBondContact O-N 2.9Å; D307-S311 PolarHBondContact O-OG 3.39Å; I308-S311 WeakPolarHBondContact CA-OG 3.4Å; I308-S311 PolarHBondContact O-N 3.16Å; I308-S311 PolarHBondContact O-OG 3.22Å; I308-S311 VanDerWaalsContact O-OG 3.12Å
312	R	98.3	Very high	98.6	Very high	31 Å²	31	50.5 Å²	50.5	12%	0.117	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	4.3	-178.2	-64.6	-171.9	-163.4	-179.1	9.8	113.7	D272 R276 R281 I308 K310 L314 T442 E469	D272-R312 VanDerWaalsContact OD2-CD 3.28Å; D272-R312 WeakPolarHBondContact OD2-CD 3.34Å; R276-R312 PolarHBondContact NH2-O 3.02Å; R281-R312 PolarHBondContact NH2-O 3.18Å; I308-R312 WeakPolarHBondContact O-CB 3.28Å; I308-R312 VanDerWaalsContact O-CG 3.31Å; I308-R312 WeakPolarHBondContact O-CG 3.32Å; I308-R312 PolarHBondContact O-N 3.41Å; K310-R312 PolarHBondContact O-N 3.32Å; R312-L314 VanDerWaalsContact C-N 3.35Å; R312-L314 HydrophobicContact CB-CD1 4.16Å; R312-L314 HydrophobicContact CB-CD2 4.08Å; R312-L314 HydrophobicContact CB-CG 3.82Å; R312-L314 PolarHBondContact O-N 2.91Å; R312-T442 PolarHBondContact NH1-O 2.97Å; R312-T442 PolarHBondContact NH2-O 3.33Å; R312-E469 VanDerWaalsContact NH2-CD 3.29Å; R312-E469 IonicContact NH2-OE1 3.98Å; R312-E469 PolarHBondContact NH2-OE1 3.3Å; R312-E469 IonicContact NH2-OE2 3.41Å; R312-E469 PolarHBondContact NH2-OE2 2.94Å
313	D	98.4	Very high	98.6	Very high	116 Å²	116	52.7 Å²	52.7	62%	0.62	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	52.8	179.6	174.7	58.1	0	0	0	110.9	R281 V309 K310	R281-D313 IonicContact CZ-OD2 3.93Å; R281-D313 IonicContact NH1-OD2 2.75Å; R281-D313 PolarHBondContact NH2-O 2.98Å; R281-D313 IonicContact NH2-OD2 3.45Å; R281-D313 PolarHBondContact NH2-OD2 2.99Å; V309-D313 PolarHBondContact O-N 3.35Å; V309-D313 VanDerWaalsContact O-N 3.16Å; K310-D313 PolarHBondContact O-N 2.89Å
314	L	98.8	Very high	98.6	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.063	25%	0.253	C	S	.	.			trans	-98.1	134	177.7	-49.4	-178.6	0	0	0	109.2	M268 Y269 D272 V286 V309 R312	M268-L314 HydrophobicContact CE-CD1 3.79Å; M268-L314 HydrophobicContact SD-CB 4.48Å; M268-L314 HydrophobicContact SD-CD1 4.17Å; Y269-L314 HydrophobicContact CD1-CD1 3.83Å; Y269-L314 HydrophobicContact CE1-CD1 3.93Å; D272-L314 HydrophobicContact CB-CD2 4.03Å; V286-L314 HydrophobicContact CB-CD2 3.84Å; V286-L314 HydrophobicContact CG1-CD2 3.87Å; V286-L314 HydrophobicContact CG2-CD2 4.37Å; V309-L314 HydrophobicContact CG1-CB 4.21Å; V309-L314 VanDerWaalsContact CG1-O 3.31Å; V309-L314 WeakPolarHBondContact CG1-O 3.37Å; V309-L314 HydrophobicContact CG2-CB 4.49Å; V309-L314 HydrophobicContact CG2-CD1 4.45Å; V309-L314 PolarHBondContact O-N 3.22Å; R312-L314 VanDerWaalsContact C-N 3.35Å; R312-L314 HydrophobicContact CB-CD1 4.16Å; R312-L314 HydrophobicContact CB-CD2 4.08Å; R312-L314 HydrophobicContact CB-CG 3.82Å; R312-L314 PolarHBondContact O-N 2.91Å
315	Q	98.8	Very high	98.7	Very high	69 Å²	69	49.4 Å²	49.4	32%	0.322	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	120.2	174.9	-174.4	177.5	-3.6	0	0	109.6	V286 I287 Y288 N317	V286-Q315 PolarHBondContact O-N 2.89Å; I287-Q315 CarbonylContact C-O 3.57Å; I287-Q315 WeakPolarHBondContact CA-O 3.21Å; I287-Q315 HydrophobicContact CG1-CB 4.36Å; I287-Q315 HydrophobicContact CG2-CB 4.49Å; I287-Q315 HydrophobicContact CG2-CG 4.4Å; Y288-Q315 PolarHBondContact N-O 3.24Å; Q315-N317 PolarHBondContact NE2-ND2 3.37Å; Q315-N317 PolarHBondContact NE2-OD1 3.08Å
316	V	98.8	Very high	98.7	Very high	23 Å²	23	52.7 Å²	52.7	14%	0.139	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	115.2	172.7	177.4	0	0	0	0	108.7	Y288 T290 L295 W306 V309 L318	Y288-V316 HydrophobicContact CD1-CG1 4.08Å; Y288-V316 HydrophobicContact CD1-CG2 4.4Å; Y288-V316 WeakPolarHBondContact O-CA 3.02Å; T290-V316 HydrophobicContact CG2-CG1 4.43Å; L295-V316 HydrophobicContact CD1-CG1 4.36Å; L295-V316 HydrophobicContact CD1-CG2 4.5Å; W306-V316 HydrophobicContact CH2-CB 3.99Å; W306-V316 HydrophobicContact CH2-CG1 3.82Å; W306-V316 HydrophobicContact CZ3-CB 3.95Å; W306-V316 HydrophobicContact CZ3-CG1 4.26Å; W306-V316 HydrophobicContact CZ3-CG2 4.29Å; V309-V316 HydrophobicContact CB-CG2 4.46Å; V309-V316 HydrophobicContact CG1-CG2 3.75Å; V309-V316 HydrophobicContact CG2-CG2 3.79Å; V316-L318 HydrophobicContact CG1-CD2 3.82Å; V316-L318 HydrophobicContact CG1-CG 4.43Å
317	N	98.6	Very high	98.6	Very high	44 Å²	44	49.2 Å²	49.2	24%	0.235	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	109.8	173.4	-51.2	-52	0	0	0	108.2	I287 Y288 N289 T290 Q315 Q320	I287-N317 WeakPolarHBondContact CG2-ND2 3.16Å; Y288-N317 PolarHBondContact O-N 3.11Å; N289-N317 WeakPolarHBondContact OD1-CB 3.43Å; N289-N317 PolarHBondContact OD1-ND2 2.99Å; T290-N317 PolarHBondContact N-O 3.32Å; Q315-N317 PolarHBondContact NE2-ND2 3.37Å; Q315-N317 PolarHBondContact NE2-OD1 3.08Å; N317-Q320 HydrophobicContact CB-CB 4.49Å; N317-Q320 HydrophobicContact CB-CG 3.64Å
318	L	98.6	Very high	98.4	Very high	55 Å²	55	49.4 Å²	49.4	29%	0.288	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	158	174.8	-55.6	176.6	0	0	0	109.8	T290 P293 W306 V316 Q320	T290-L318 HydrophobicContact CG2-CD2 3.55Å; T290-L318 CarbonylContact O-C 3.47Å; P293-L318 WeakPolarHBondContact O-CD1 3.34Å; W306-L318 HydrophobicContact CH2-CD1 4.44Å; W306-L318 HydrophobicContact CH2-CD2 4.48Å; W306-L318 HydrophobicContact CZ2-CD1 4.21Å; W306-L318 HydrophobicContact CZ2-CD2 4.43Å; V316-L318 HydrophobicContact CG1-CD2 3.82Å; V316-L318 HydrophobicContact CG1-CG 4.43Å; L318-Q320 PolarHBondContact O-N 3.25Å
319	R	98.6	Very high	98.4	Very high	63 Å²	63	54.8 Å²	54.8	24%	0.238	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	30	176.3	-51.2	-67.7	-67.4	155.9	-2	113.6	T290 S291 L292 L337 D338	T290-R319 WeakPolarHBondContact O-CA 3.45Å; T290-R319 PolarHBondContact O-N 3.19Å; S291-R319 PolarHBondContact O-NH1 3.45Å; L292-R319 PolarHBondContact O-N 2.87Å; R319-L337 HydrophobicContact CB-CB 4.32Å; R319-L337 PolarHBondContact NH2-O 2.81Å; R319-L337 PolarHBondContact O-N 2.85Å; R319-D338 VanDerWaalsContact CG-OD2 3.31Å; R319-D338 WeakPolarHBondContact CG-OD2 3.45Å; R319-D338 IonicContact CZ-OD1 2.96Å; R319-D338 IonicContact NE-OD1 3.21Å; R319-D338 PolarHBondContact NE-OD1 3.34Å; R319-D338 IonicContact NE-OD2 3.27Å; R319-D338 IonicContact NH2-OD1 3.15Å; R319-D338 PolarHBondContact NH2-OD1 3.41Å; R319-D338 VanDerWaalsContact NH2-OD1 3.15Å
320	Q	98.8	Very high	98.3	Very high	27 Å²	27	59.5 Å²	59.5	13%	0.126	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117	175.7	-60.3	-59.3	-62.1	0	0	110.1	N289 T290 S291 N317 L318 E335	N289-Q320 CarbonylContact C-O 3.37Å; N289-Q320 HydrophobicContact CB-CB 3.88Å; T290-Q320 CarbonylContact C-O 3.51Å; T290-Q320 PolarHBondContact N-O 3.38Å; T290-Q320 PolarHBondContact O-N 2.84Å; S291-Q320 PolarHBondContact N-O 3.08Å; N317-Q320 HydrophobicContact CB-CB 4.49Å; N317-Q320 HydrophobicContact CB-CG 3.64Å; L318-Q320 PolarHBondContact O-N 3.25Å; Q320-E335 WeakPolarHBondContact CA-O 3.25Å
321	N	98.9	Very high	98.4	Very high	16 Å²	16	52.6 Å²	52.6	9%	0.086	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.6	-179.8	-179.2	51.7	0	0	0	111.3	P254 N255 F334 E335 L337	P254-N321 WeakPolarHBondContact CA-OD1 3.39Å; N255-N321 HydrophobicContact CB-CB 4.4Å; N255-N321 PolarHBondContact N-OD1 3.22Å; N255-N321 VanDerWaalsContact N-OD1 3.08Å; N321-F334 CarbonylContact O-C 3.52Å; N321-F334 WeakPolarHBondContact O-CA 3.45Å; N321-E335 HydrophobicContact CB-CG 3.8Å; N321-E335 PolarHBondContact N-O 2.83Å; N321-E335 PolarHBondContact ND2-OE1 3.44Å; N321-E335 PolarHBondContact O-N 3.13Å; N321-L337 HydrophobicContact CB-CD1 4.16Å; N321-L337 HydrophobicContact CB-CD2 4.14Å; N321-L337 HydrophobicContact CB-CG 4.19Å
322	L	98.9	Very high	98.4	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	128.1	176.7	177.7	69	0	0	0	109.7	I213 T252 E324 V325 A332 F334 V353	I213-L322 HydrophobicContact CD1-CD2 3.89Å; I213-L322 HydrophobicContact CD1-CG 4.32Å; I213-L322 HydrophobicContact CG2-CD2 4.15Å; I213-L322 HydrophobicContact CG2-CG 4.07Å; T252-L322 HydrophobicContact CG2-CB 4.14Å; T252-L322 HydrophobicContact CG2-CD2 3.97Å; L322-E324 WeakPolarHBondContact CD1-O 3.42Å; L322-V325 HydrophobicContact CD1-CG2 4.2Å; L322-V325 HydrophobicContact CD2-CG2 3.99Å; L322-V325 HydrophobicContact CG-CG2 4.47Å; L322-A332 HydrophobicContact CD1-CB 3.84Å; L322-F334 HydrophobicContact CB-CD1 4.08Å; L322-F334 HydrophobicContact CB-CE1 3.76Å; L322-F334 HydrophobicContact CB-CZ 4.47Å; L322-F334 HydrophobicContact CD1-CD1 4.43Å; L322-F334 HydrophobicContact CD1-CE1 3.98Å; L322-F334 HydrophobicContact CD1-CE2 4.27Å; L322-F334 HydrophobicContact CD1-CZ 3.88Å; L322-F334 HydrophobicContact CG-CE1 4.45Å; L322-V353 HydrophobicContact CD2-CB 4.49Å; L322-V353 HydrophobicContact CD2-CG1 3.94Å; L322-V353 HydrophobicContact CD2-CG2 3.89Å
323	I	98.8	Very high	98.4	Very high	54 Å²	54	47 Å²	47	28%	0.277	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	-24.2	-179.1	57.2	163.3	0	0	0	114	K214 V333 E335 T343	K214-I323 PolarHBondContact N-O 2.66Å; I323-V333 HydrophobicContact CD1-CG1 4.25Å; I323-V333 HydrophobicContact CG1-CB 4.33Å; I323-V333 HydrophobicContact CG1-CG1 4.23Å; I323-V333 WeakPolarHBondContact CG1-O 3.12Å; I323-V333 PolarHBondContact N-O 3.05Å; I323-E335 HydrophobicContact CD1-CB 4.23Å; I323-E335 HydrophobicContact CG2-CB 4.17Å; I323-E335 HydrophobicContact CG2-CG 3.72Å; I323-E335 WeakPolarHBondContact CG2-OE1 3.47Å; I323-T343 HydrophobicContact CD1-CG2 4.02Å
324	E	98.9	Very high	98.4	Very high	27 Å²	27	41.5 Å²	41.5	13%	0.126	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	144.4	179.1	178	-178.9	-158.1	0	0	111.3	K214 L322 R326 V333	K214-E324 HydrophobicContact CB-CB 4Å; K214-E324 HydrophobicContact CB-CG 3.97Å; K214-E324 HydrophobicContact CD-CG 3.98Å; K214-E324 WeakPolarHBondContact CE-OE1 3.44Å; K214-E324 HydrophobicContact CG-CG 4.07Å; K214-E324 IonicContact NZ-OE1 3.14Å; K214-E324 PolarHBondContact NZ-OE1 3.34Å; K214-E324 CarbonylContact O-C 3.54Å; K214-E324 VanDerWaalsContact O-CA 3.31Å; K214-E324 WeakPolarHBondContact O-CA 3.28Å; L322-E324 WeakPolarHBondContact CD1-O 3.42Å; E324-R326 VanDerWaalsContact CD-NE 3.29Å; E324-R326 HydrophobicContact CG-CG 4.11Å; E324-R326 IonicContact OE1-NE 3.62Å; E324-R326 PolarHBondContact OE1-NE 2.8Å; E324-R326 IonicContact OE1-NH2 3.34Å; E324-R326 IonicContact OE2-CZ 3.87Å; E324-R326 IonicContact OE2-NE 3.33Å; E324-R326 PolarHBondContact OE2-NE 2.78Å; E324-R326 IonicContact OE2-NH2 3Å; E324-R326 PolarHBondContact OE2-NH2 3.28Å; E324-V333 HydrophobicContact CB-CB 3.94Å; E324-V333 HydrophobicContact CB-CG2 3.93Å; E324-V333 HydrophobicContact CG-CG2 4.22Å; E324-V333 PolarHBondContact N-O 3.38Å; E324-V333 PolarHBondContact O-N 3.18Å
325	V	98.9	Very high	98.4	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.9	170	178.6	0	0	0	0	109	I213 K214 L216 A219 I225 L322 P327 Y348 L351	I213-V325 HydrophobicContact CG2-CG2 3.99Å; K214-V325 PolarHBondContact O-N 2.78Å; L216-V325 HydrophobicContact CD1-CG2 4.26Å; L216-V325 HydrophobicContact CG-CG2 4.28Å; A219-V325 HydrophobicContact CB-CB 4.37Å; A219-V325 HydrophobicContact CB-CG1 3.76Å; I225-V325 HydrophobicContact CD1-CG1 3.84Å; L322-V325 HydrophobicContact CD1-CG2 4.2Å; L322-V325 HydrophobicContact CD2-CG2 3.99Å; L322-V325 HydrophobicContact CG-CG2 4.47Å; V325-P327 WeakPolarHBondContact O-CD 3.47Å; V325-Y348 HydrophobicContact CG1-CE1 4.42Å; V325-L351 HydrophobicContact CG1-CD2 4.08Å; V325-L351 HydrophobicContact CG2-CD2 3.87Å
326	R	98.7	Very high	98.4	Very high	70 Å²	70	41.6 Å²	41.6	26%	0.264	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	89.3	175.4	-57	171.7	-173	158.5	3.3	108.5	E324 D328 K329 R330 E331	E324-R326 VanDerWaalsContact CD-NE 3.29Å; E324-R326 HydrophobicContact CG-CG 4.11Å; E324-R326 IonicContact OE1-NE 3.62Å; E324-R326 PolarHBondContact OE1-NE 2.8Å; E324-R326 IonicContact OE1-NH2 3.34Å; E324-R326 IonicContact OE2-CZ 3.87Å; E324-R326 IonicContact OE2-NE 3.33Å; E324-R326 PolarHBondContact OE2-NE 2.78Å; E324-R326 IonicContact OE2-NH2 3Å; E324-R326 PolarHBondContact OE2-NH2 3.28Å; R326-D328 VanDerWaalsContact C-N 3.34Å; R326-D328 PolarHBondContact O-N 2.93Å; R326-K329 PolarHBondContact O-N 3.08Å; R326-R330 PolarHBondContact O-N 2.6Å; R326-E331 HydrophobicContact CB-CB 4.2Å; R326-E331 WeakPolarHBondContact CD-OE2 3.47Å; R326-E331 IonicContact CZ-OE2 2.8Å; R326-E331 PolarHBondContact N-O 2.94Å; R326-E331 IonicContact NH1-OE2 3.21Å; R326-E331 PolarHBondContact NH1-OE2 3.33Å; R326-E331 PolarHBondContact O-N 3.04Å
327	P	97.2	Very high	98.4	Very high	23 Å²	23	42 Å²	42	15%	0.149	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-27.3	-169	29.1	-37.1	0	0	0	114.2	A219 H222 V325 K329 R330	A219-P327 HydrophobicContact CB-CB 3.74Å; A219-P327 HydrophobicContact CB-CG 3.58Å; H222-P327 HydrophobicContact CB-CB 3.66Å; H222-P327 VanDerWaalsContact CG-CB 3.49Å; V325-P327 WeakPolarHBondContact O-CD 3.47Å; P327-K329 VanDerWaalsContact C-N 3.34Å; P327-R330 PolarHBondContact O-N 3.11Å
328	D	95.1	Very high	98.4	Very high	112 Å²	112	44.9 Å²	44.9	60%	0.599	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-41.7	173.7	60.5	-39.3	0	0	0	111.8	R326	R326-D328 VanDerWaalsContact C-N 3.34Å; R326-D328 PolarHBondContact O-N 2.93Å
329	K	97.5	Very high	98.3	Very high	118 Å²	118	47.9 Å²	47.9	51%	0.513	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-10.1	177.7	-60.9	-178.9	-175.2	-178.1	0	113.6	R326 P327 E331	R326-K329 PolarHBondContact O-N 3.08Å; P327-K329 VanDerWaalsContact C-N 3.34Å; K329-E331 VanDerWaalsContact C-N 3.3Å; K329-E331 HydrophobicContact CB-CB 4.37Å; K329-E331 HydrophobicContact CB-CG 3.83Å
330	R	98	Very high	98.1	Very high	107 Å²	107	50.7 Å²	50.7	40%	0.404	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	42.5	-169.2	-54.7	173.8	-73.8	168.3	-5.9	112.2	K224 R326 P327 E347 Y348 E349	K224-R330 VanDerWaalsContact NZ-NH1 3.16Å; R326-R330 PolarHBondContact O-N 2.6Å; P327-R330 PolarHBondContact O-N 3.11Å; R330-E347 CarbonylContact O-C 3.47Å; R330-E347 VanDerWaalsContact O-CA 3.27Å; R330-E347 WeakPolarHBondContact O-CA 3.48Å; R330-Y348 HydrophobicContact CB-CD2 4.42Å; R330-Y348 HydrophobicContact CB-CE2 4.25Å; R330-Y348 WeakPolarHBondContact CB-O 3.29Å; R330-Y348 WeakPolarHBondContact O-CD1 3.43Å; R330-Y348 WeakPolarHBondContact O-CE1 3.38Å; R330-Y348 PolarHBondContact O-N 3.47Å; R330-E349 IonicContact NH1-OE2 2.94Å; R330-E349 PolarHBondContact NH1-OE2 2.99Å
331	E	98.8	Very high	97.9	Very high	35 Å²	35	53.2 Å²	53.2	16%	0.164	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	141.1	179.2	-69.5	172.4	-176.5	0	0	111.1	R326 K329 V345 E347	R326-E331 HydrophobicContact CB-CB 4.2Å; R326-E331 WeakPolarHBondContact CD-OE2 3.47Å; R326-E331 IonicContact CZ-OE2 2.8Å; R326-E331 PolarHBondContact N-O 2.94Å; R326-E331 IonicContact NH1-OE2 3.21Å; R326-E331 PolarHBondContact NH1-OE2 3.33Å; R326-E331 PolarHBondContact O-N 3.04Å; K329-E331 VanDerWaalsContact C-N 3.3Å; K329-E331 HydrophobicContact CB-CB 4.37Å; K329-E331 HydrophobicContact CB-CG 3.83Å; E331-V345 HydrophobicContact CB-CG1 3.79Å; E331-V345 HydrophobicContact CG-CG1 3.71Å; E331-E347 HydrophobicContact CG-CG 4.41Å
332	A	98.9	Very high	97.9	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.1	168.9	0	0	0	0	0	109.1	L322 F334 C346 Y348 L351	L322-A332 HydrophobicContact CD1-CB 3.84Å; A332-F334 HydrophobicContact CB-CD2 4.44Å; A332-F334 HydrophobicContact CB-CE2 3.57Å; A332-F334 HydrophobicContact CB-CZ 4.04Å; A332-C346 PolarHBondContact N-O 3.29Å; A332-C346 PolarHBondContact O-N 3.06Å; A332-Y348 HydrophobicContact CB-CD1 4.04Å; A332-Y348 HydrophobicContact CB-CE1 4.32Å; A332-L351 HydrophobicContact CB-CD1 4.44Å; A332-L351 HydrophobicContact CB-CD2 4.19Å
333	V	98.9	Very high	97.8	Very high	6 Å²	6	60.4 Å²	60.4	4%	0.036	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.2	-178.8	-168.7	0	0	0	0	109.4	I323 E324 V345	I323-V333 HydrophobicContact CD1-CG1 4.25Å; I323-V333 HydrophobicContact CG1-CB 4.33Å; I323-V333 HydrophobicContact CG1-CG1 4.23Å; I323-V333 WeakPolarHBondContact CG1-O 3.12Å; I323-V333 PolarHBondContact N-O 3.05Å; E324-V333 HydrophobicContact CB-CB 3.94Å; E324-V333 HydrophobicContact CB-CG2 3.93Å; E324-V333 HydrophobicContact CG-CG2 4.22Å; E324-V333 PolarHBondContact N-O 3.38Å; E324-V333 PolarHBondContact O-N 3.18Å; V333-V345 HydrophobicContact CG2-CG2 4.33Å
334	F	98.9	Very high	97.8	Very high	2 Å²	2	63.8 Å²	63.8	1%	0.009	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	138.3	179.7	-63.6	-92.9	0	0	0	110.5	V250 T252 N289 N321 L322 A332 T343 K344 C346	V250-F334 HydrophobicContact CG1-CE2 4.22Å; V250-F334 HydrophobicContact CG1-CZ 3.72Å; T252-F334 HydrophobicContact CG2-CE1 3.71Å; T252-F334 HydrophobicContact CG2-CZ 3.86Å; N289-F334 HydrophobicContact CB-CD1 3.66Å; N289-F334 HydrophobicContact CB-CE1 3.39Å; N289-F334 HydrophobicContact CB-CG 4.49Å; N289-F334 HydrophobicContact CB-CZ 4.05Å; N289-F334 WeakPolarHBondContact ND2-CD2 3.46Å; N289-F334 VanDerWaalsContact ND2-CE1 3.31Å; N289-F334 WeakPolarHBondContact ND2-CE1 3.37Å; N289-F334 VanDerWaalsContact ND2-CE2 3.27Å; N289-F334 WeakPolarHBondContact ND2-CE2 3.38Å; N289-F334 WeakPolarHBondContact ND2-CZ 3.38Å; N321-F334 CarbonylContact O-C 3.52Å; N321-F334 WeakPolarHBondContact O-CA 3.45Å; L322-F334 HydrophobicContact CB-CD1 4.08Å; L322-F334 HydrophobicContact CB-CE1 3.76Å; L322-F334 HydrophobicContact CB-CZ 4.47Å; L322-F334 HydrophobicContact CD1-CD1 4.43Å; L322-F334 HydrophobicContact CD1-CE1 3.98Å; L322-F334 HydrophobicContact CD1-CE2 4.27Å; L322-F334 HydrophobicContact CD1-CZ 3.88Å; L322-F334 HydrophobicContact CG-CE1 4.45Å; A332-F334 HydrophobicContact CB-CD2 4.44Å; A332-F334 HydrophobicContact CB-CE2 3.57Å; A332-F334 HydrophobicContact CB-CZ 4.04Å; F334-T343 CarbonylContact O-C 3.23Å; F334-T343 WeakPolarHBondContact O-CA 3.06Å; F334-T343 WeakPolarHBondContact O-CB 3.33Å; F334-K344 PolarHBondContact N-O 2.83Å; F334-K344 PolarHBondContact O-N 3.48Å; F334-C346 HydrophobicContact CD2-CB 4.24Å; F334-C346 HydrophobicContact CE2-CB 4.03Å
335	E	98.7	Very high	97.8	Very high	62 Å²	62	65.8 Å²	65.8	29%	0.29	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	146.4	165.8	67	-177.4	156.9	0	0	110.7	Q320 N321 I323 L337	Q320-E335 WeakPolarHBondContact CA-O 3.25Å; N321-E335 HydrophobicContact CB-CG 3.8Å; N321-E335 PolarHBondContact N-O 2.83Å; N321-E335 PolarHBondContact ND2-OE1 3.44Å; N321-E335 PolarHBondContact O-N 3.13Å; I323-E335 HydrophobicContact CD1-CB 4.23Å; I323-E335 HydrophobicContact CG2-CB 4.17Å; I323-E335 HydrophobicContact CG2-CG 3.72Å; I323-E335 WeakPolarHBondContact CG2-OE1 3.47Å; E335-L337 HydrophobicContact CG-CD2 4.01Å
336	N	98.4	Very high	97.7	Very high	21 Å²	21	66.4 Å²	66.4	11%	0.112	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	113.5	171.2	-171	-23.5	0	0	0	110.2	D338 K339 E342	N336-D338 PolarHBondContact O-N 3.07Å; N336-D338 PolarHBondContact OD1-N 3.02Å; N336-K339 HydrophobicContact CB-CB 4.24Å; N336-K339 CarbonylContact O-C 3.29Å; N336-K339 VanDerWaalsContact O-C 3.23Å; N336-K339 PolarHBondContact O-N 3.29Å; N336-K339 VanDerWaalsContact O-O 3.13Å; N336-K339 PolarHBondContact OD1-N 2.75Å; N336-E342 HydrophobicContact CB-CB 4.22Å; N336-E342 PolarHBondContact N-O 2.69Å
337	L	98.1	Very high	97.7	Very high	30 Å²	30	69.2 Å²	69.2	16%	0.157	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-13.3	-177.5	-61.2	179.1	0	0	0	113.8	N255 S291 R319 N321 E335	N255-L337 HydrophobicContact CB-CD1 4.24Å; S291-L337 WeakPolarHBondContact O-CD1 3.35Å; R319-L337 HydrophobicContact CB-CB 4.32Å; R319-L337 PolarHBondContact NH2-O 2.81Å; R319-L337 PolarHBondContact O-N 2.85Å; N321-L337 HydrophobicContact CB-CD1 4.16Å; N321-L337 HydrophobicContact CB-CD2 4.14Å; N321-L337 HydrophobicContact CB-CG 4.19Å; E335-L337 HydrophobicContact CG-CD2 4.01Å
338	D	98	Very high	97.8	Very high	105 Å²	105	68.4 Å²	68.4	56%	0.561	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-14.7	173.1	-65.5	-18.2	0	0	0	112.3	R319 N336	R319-D338 VanDerWaalsContact CG-OD2 3.31Å; R319-D338 WeakPolarHBondContact CG-OD2 3.45Å; R319-D338 IonicContact CZ-OD1 2.96Å; R319-D338 IonicContact NE-OD1 3.21Å; R319-D338 PolarHBondContact NE-OD1 3.34Å; R319-D338 IonicContact NE-OD2 3.27Å; R319-D338 IonicContact NH2-OD1 3.15Å; R319-D338 PolarHBondContact NH2-OD1 3.41Å; R319-D338 VanDerWaalsContact NH2-OD1 3.15Å; N336-D338 PolarHBondContact O-N 3.07Å; N336-D338 PolarHBondContact OD1-N 3.02Å
339	K	97.3	Very high	98	Very high	118 Å²	118	63.8 Å²	63.8	51%	0.513	34%	0.337	S	S	.	.	S	Bend	trans	-133.4	77.8	179.3	-62.2	-179	-177.6	179.8	0	110.1	N336 G341 E342	N336-K339 HydrophobicContact CB-CB 4.24Å; N336-K339 CarbonylContact O-C 3.29Å; N336-K339 VanDerWaalsContact O-C 3.23Å; N336-K339 PolarHBondContact O-N 3.29Å; N336-K339 VanDerWaalsContact O-O 3.13Å; N336-K339 PolarHBondContact OD1-N 2.75Å; K339-G341 PolarHBondContact O-N 2.93Å; K339-E342 HydrophobicContact CB-CB 4.06Å; K339-E342 WeakPolarHBondContact CD-OE2 3.18Å; K339-E342 IonicContact NZ-OE2 3.59Å; K339-E342 VanDerWaalsContact O-CB 3.31Å; K339-E342 WeakPolarHBondContact O-CB 3.35Å; K339-E342 PolarHBondContact O-N 3.1Å
340	P	94.5	Very high	98.1	Very high	123 Å²	123	58.1 Å²	58.1	80%	0.799	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	132.8	-177.4	-26.7	35.4	0	0	0	112.5
341	G	94.7	Very high	98.1	Very high	79 Å²	79	53 Å²	53	81%	0.814	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.2	-19.2	-175.6	0	0	0	0	0	114.6	K339	K339-G341 PolarHBondContact O-N 2.93Å
342	E	98	Very high	98.1	Very high	91 Å²	91	51.4 Å²	51.4	43%	0.425	29%	0.285	S	S	.	.			trans	-77.5	124.7	172.3	-168.6	-177.5	132.3	0	0	110	N336 K339	N336-E342 HydrophobicContact CB-CB 4.22Å; N336-E342 PolarHBondContact N-O 2.69Å; K339-E342 HydrophobicContact CB-CB 4.06Å; K339-E342 WeakPolarHBondContact CD-OE2 3.18Å; K339-E342 IonicContact NZ-OE2 3.59Å; K339-E342 VanDerWaalsContact O-CB 3.31Å; K339-E342 WeakPolarHBondContact O-CB 3.35Å; K339-E342 PolarHBondContact O-N 3.1Å
343	T	98.3	Very high	98.1	Very high	83 Å²	83	51.4 Å²	51.4	51%	0.509	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	150.1	174.1	63	0	0	0	0	111.1	I323 F334	I323-T343 HydrophobicContact CD1-CG2 4.02Å; F334-T343 CarbonylContact O-C 3.23Å; F334-T343 WeakPolarHBondContact O-CA 3.06Å; F334-T343 WeakPolarHBondContact O-CB 3.33Å
344	K	97.9	Very high	98.1	Very high	125 Å²	125	51.2 Å²	51.2	54%	0.543	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.5	177.4	-174.9	175.3	-178.6	177.3	0	110.3	F334	F334-K344 PolarHBondContact N-O 2.83Å; F334-K344 PolarHBondContact O-N 3.48Å
345	V	98.6	Very high	98.1	Very high	69 Å²	69	51.1 Å²	51.1	42%	0.418	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	134.9	170.5	-174.6	0	0	0	0	109.1	E331 V333	E331-V345 HydrophobicContact CB-CG1 3.79Å; E331-V345 HydrophobicContact CG-CG1 3.71Å; V333-V345 HydrophobicContact CG2-CG2 4.33Å
346	C	98.2	Very high	98.1	Very high	16 Å²	16	48.7 Å²	48.7	11%	0.108	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	116.8	176.7	-178	0	0	0	0	109.1	A332 F334	A332-C346 PolarHBondContact N-O 3.29Å; A332-C346 PolarHBondContact O-N 3.06Å; F334-C346 HydrophobicContact CD2-CB 4.24Å; F334-C346 HydrophobicContact CE2-CB 4.03Å
347	E	98.5	Very high	98.1	Very high	128 Å²	128	47.9 Å²	47.9	60%	0.598	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	147.1	169.3	-66.8	-174	-180	0	0	110.6	N248 R330 E331	N248-E347 VanDerWaalsContact CB-O 3.3Å; N248-E347 WeakPolarHBondContact CB-O 3.47Å; N248-E347 PolarHBondContact ND2-O 3.29Å; R330-E347 CarbonylContact O-C 3.47Å; R330-E347 VanDerWaalsContact O-CA 3.27Å; R330-E347 WeakPolarHBondContact O-CA 3.48Å; E331-E347 HydrophobicContact CG-CG 4.41Å
348	Y	98.8	Very high	98.1	Very high	7 Å²	7	46.7 Å²	46.7	3%	0.027	26%	0.264	C	S	.	.			trans	-133	142.9	177.8	64.9	-98.9	0	0	0	113.1	K224 V325 R330 A332 L351	K224-Y348 HydrophobicContact CB-CD2 4.45Å; K224-Y348 HydrophobicContact CB-CE2 4.22Å; V325-Y348 HydrophobicContact CG1-CE1 4.42Å; R330-Y348 HydrophobicContact CB-CD2 4.42Å; R330-Y348 HydrophobicContact CB-CE2 4.25Å; R330-Y348 WeakPolarHBondContact CB-O 3.29Å; R330-Y348 WeakPolarHBondContact O-CD1 3.43Å; R330-Y348 WeakPolarHBondContact O-CE1 3.38Å; R330-Y348 PolarHBondContact O-N 3.47Å; A332-Y348 HydrophobicContact CB-CD1 4.04Å; A332-Y348 HydrophobicContact CB-CE1 4.32Å; Y348-L351 HydrophobicContact CD1-CB 4.07Å; Y348-L351 HydrophobicContact CD1-CD2 4.08Å; Y348-L351 HydrophobicContact CD2-CB 3.62Å; Y348-L351 HydrophobicContact CE1-CB 4.25Å; Y348-L351 HydrophobicContact CE1-CD2 3.77Å; Y348-L351 HydrophobicContact CE2-CB 3.84Å; Y348-L351 HydrophobicContact CG-CB 3.75Å
349	E	98.8	Very high	98.1	Very high	14 Å²	14	42.5 Å²	42.5	7%	0.065	24%	0.242	C	C	.	.	S	Bend	trans	-95.8	-23.4	163.8	-175.5	64.4	-168.1	0	0	111.2	K224 F244 E246 N248 R330	K224-E349 VanDerWaalsContact CB-O 3.28Å; K224-E349 WeakPolarHBondContact CB-O 3.29Å; K224-E349 WeakPolarHBondContact CD-O 3.37Å; K224-E349 VanDerWaalsContact CE-OE1 3.26Å; K224-E349 WeakPolarHBondContact CE-OE1 3.35Å; K224-E349 WeakPolarHBondContact CE-OE2 3.43Å; K224-E349 VanDerWaalsContact CG-O 3.3Å; K224-E349 WeakPolarHBondContact CG-O 3.42Å; K224-E349 IonicContact NZ-OE1 2.7Å; K224-E349 PolarHBondContact NZ-OE1 3.36Å; K224-E349 IonicContact NZ-OE2 2.91Å; K224-E349 PolarHBondContact NZ-OE2 2.99Å; F244-E349 HydrophobicContact CD2-CB 3.92Å; F244-E349 HydrophobicContact CD2-CG 3.65Å; F244-E349 HydrophobicContact CE2-CB 3.64Å; F244-E349 HydrophobicContact CE2-CG 3.78Å; F244-E349 HydrophobicContact CG-CG 4.18Å; F244-E349 HydrophobicContact CZ-CB 4.36Å; F244-E349 HydrophobicContact CZ-CG 4.38Å; E246-E349 VanDerWaalsContact O-CB 3.27Å; E246-E349 WeakPolarHBondContact O-CB 3.42Å; E246-E349 WeakPolarHBondContact O-CG 3.48Å; N248-E349 PolarHBondContact O-N 3.46Å; R330-E349 IonicContact NH1-OE2 2.94Å; R330-E349 PolarHBondContact NH1-OE2 2.99Å
350	M	98.8	Very high	97.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	134.3	167.8	171.6	-178.3	177.3	0	0	109.4	K224 T237 A240 L241 F244 N248 A249 V250 F251	K224-M350 CarbonylContact O-C 3.49Å; K224-M350 VanDerWaalsContact O-CA 3.26Å; K224-M350 WeakPolarHBondContact O-CA 3.13Å; T237-M350 HydrophobicContact CG2-CE 3.94Å; A240-M350 HydrophobicContact CB-CG 4.1Å; L241-M350 HydrophobicContact CB-CE 3.93Å; L241-M350 HydrophobicContact CB-SD 3.9Å; L241-M350 HydrophobicContact CD1-CE 4.46Å; L241-M350 HydrophobicContact CD1-SD 3.86Å; L241-M350 HydrophobicContact CG-SD 4.47Å; F244-M350 HydrophobicContact CD2-CB 3.88Å; F244-M350 HydrophobicContact CE2-CB 4.48Å; N248-M350 PolarHBondContact O-N 3.08Å; N248-M350 VanDerWaalsContact O-N 3.11Å; A249-M350 CarbonylContact C-O 3.24Å; A249-M350 WeakPolarHBondContact CA-O 3.34Å; A249-M350 HydrophobicContact CB-CB 4.35Å; V250-M350 PolarHBondContact N-O 3.39Å; F251-M350 HydrophobicContact CE1-CE 4Å; F251-M350 HydrophobicContact CZ-CE 4.09Å; F251-M350 HydrophobicContact CZ-SD 4.34Å
351	L	98.9	Very high	97.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	120.3	172.8	178.6	63.3	0	0	0	110.4	K224 I225 G226 V250 T252 V325 A332 Y348 V353	K224-L351 PolarHBondContact O-N 3.31Å; I225-L351 CarbonylContact C-O 3.59Å; I225-L351 VanDerWaalsContact CA-O 3.29Å; I225-L351 WeakPolarHBondContact CA-O 3.08Å; I225-L351 HydrophobicContact CB-CB 4.44Å; I225-L351 HydrophobicContact CD1-CD2 3.82Å; I225-L351 HydrophobicContact CD1-CG 4.43Å; I225-L351 HydrophobicContact CG1-CB 4.21Å; I225-L351 HydrophobicContact CG1-CD2 4.15Å; I225-L351 HydrophobicContact CG1-CG 4.24Å; G226-L351 PolarHBondContact N-O 3.1Å; V250-L351 HydrophobicContact CB-CD1 3.88Å; V250-L351 HydrophobicContact CG1-CD1 3.87Å; V250-L351 CarbonylContact O-C 3.54Å; V250-L351 WeakPolarHBondContact O-CA 3.46Å; T252-L351 HydrophobicContact CG2-CD1 4.01Å; V325-L351 HydrophobicContact CG1-CD2 4.08Å; V325-L351 HydrophobicContact CG2-CD2 3.87Å; A332-L351 HydrophobicContact CB-CD1 4.44Å; A332-L351 HydrophobicContact CB-CD2 4.19Å; Y348-L351 HydrophobicContact CD1-CB 4.07Å; Y348-L351 HydrophobicContact CD1-CD2 4.08Å; Y348-L351 HydrophobicContact CD2-CB 3.62Å; Y348-L351 HydrophobicContact CE1-CB 4.25Å; Y348-L351 HydrophobicContact CE1-CD2 3.77Å; Y348-L351 HydrophobicContact CE2-CB 3.84Å; Y348-L351 HydrophobicContact CG-CB 3.75Å; L351-V353 HydrophobicContact CD1-CG2 4.37Å; L351-V353 HydrophobicContact CD2-CG2 3.86Å; L351-V353 HydrophobicContact CG-CG2 3.8Å
352	H	98.9	Very high	98	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	114.7	166.5	172.9	-78.1	0	0	0	110	G226 N228 V250 F251 T252 I267	G226-H352 WeakPolarHBondContact O-CA 3.44Å; N228-H352 PolarHBondContact N-NE2 3.05Å; V250-H352 PolarHBondContact O-N 2.93Å; F251-H352 HydrophobicContact CD1-CB 3.56Å; F251-H352 HydrophobicContact CE1-CB 3.88Å; F251-H352 HydrophobicContact CG-CB 4.45Å; T252-H352 PolarHBondContact N-O 3.44Å; T252-H352 VanDerWaalsContact N-O 3.11Å; I267-H352 HydrophobicContact CG2-CB 4.45Å
353	V	98.9	Very high	98	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.159	C	C	.	.			trans	-94	126.9	-179.6	-179.3	0	0	0	0	110.7	I213 L216 I225 G226 S227 T252 L322 L351	I213-V353 HydrophobicContact CD1-CG1 3.72Å; L216-V353 HydrophobicContact CD1-CB 4.36Å; L216-V353 HydrophobicContact CD1-CG1 3.77Å; L216-V353 HydrophobicContact CD1-CG2 4.15Å; I225-V353 HydrophobicContact CD1-CG2 4.08Å; I225-V353 HydrophobicContact CG1-CG2 4.28Å; G226-V353 PolarHBondContact O-N 2.73Å; S227-V353 WeakPolarHBondContact CB-O 3.31Å; S227-V353 PolarHBondContact OG-O 3.34Å; T252-V353 WeakPolarHBondContact OG1-CA 3.37Å; L322-V353 HydrophobicContact CD2-CB 4.49Å; L322-V353 HydrophobicContact CD2-CG1 3.94Å; L322-V353 HydrophobicContact CD2-CG2 3.89Å; L351-V353 HydrophobicContact CD1-CG2 4.37Å; L351-V353 HydrophobicContact CD2-CG2 3.86Å; L351-V353 HydrophobicContact CG-CG2 3.8Å
354	T	98.9	Very high	97.9	Very high	1 Å²	1	32 Å²	32	1%	0.006	16%	0.161	C	C	.	.			trans	-94.5	115.8	159.4	-56.6	0	0	0	0	108.1	Y229 T252 P254 V258 P264 M357	Y229-T354 HydrophobicContact CD2-CG2 4.1Å; Y229-T354 HydrophobicContact CE2-CG2 3.52Å; T252-T354 WeakPolarHBondContact O-CB 3.4Å; T252-T354 PolarHBondContact O-OG1 2.79Å; T252-T354 PolarHBondContact OG1-N 2.67Å; P254-T354 VanDerWaalsContact CD-CG2 3.48Å; P254-T354 HydrophobicContact CG-CG2 4.11Å; V258-T354 HydrophobicContact CG1-CG2 4.36Å; P264-T354 VanDerWaalsContact CB-OG1 3.3Å; P264-T354 WeakPolarHBondContact CB-OG1 3.07Å; P264-T354 HydrophobicContact CG-CG2 3.81Å; P264-T354 WeakPolarHBondContact CG-OG1 3.31Å; T354-M357 HydrophobicContact CG2-CE 3.96Å
355	P	98.8	Very high	97.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.171	C	C	.	.			trans	-69.4	149	-177.1	28.9	-35.1	0	0	0	111	L208 Y210 P254 M357	L208-P355 HydrophobicContact CB-CG 4.15Å; L208-P355 HydrophobicContact CD2-CG 4.08Å; Y210-P355 HydrophobicContact CD1-CB 3.58Å; Y210-P355 HydrophobicContact CD1-CG 4.21Å; Y210-P355 HydrophobicContact CD2-CB 4.21Å; Y210-P355 HydrophobicContact CE1-CB 3.55Å; Y210-P355 HydrophobicContact CE1-CG 3.64Å; Y210-P355 HydrophobicContact CE2-CB 4.19Å; Y210-P355 HydrophobicContact CE2-CG 4.03Å; Y210-P355 HydrophobicContact CG-CB 3.92Å; P254-P355 WeakPolarHBondContact CG-O 3.47Å; P355-M357 HydrophobicContact CG-CE 4.1Å; P355-M357 WeakPolarHBondContact O-CG 3.35Å
356	P	98.8	Very high	97.7	Very high	12 Å²	12	26.9 Å²	26.9	8%	0.078	16%	0.155	C	C	.	.			trans	-48.5	142.6	157.4	-25.3	34.5	0	0	0	110.4	H209 K212 I213 P254 T256	H209-P356 WeakPolarHBondContact CA-O 3.44Å; H209-P356 HydrophobicContact CB-CB 4.31Å; H209-P356 WeakPolarHBondContact CB-O 3.44Å; H209-P356 PolarHBondContact N-O 2.89Å; H209-P356 WeakPolarHBondContact O-CD 3.38Å; K212-P356 HydrophobicContact CB-CB 4.37Å; K212-P356 HydrophobicContact CB-CG 4.12Å; K212-P356 HydrophobicContact CD-CB 4.22Å; I213-P356 HydrophobicContact CD1-CG 4.33Å; I213-P356 HydrophobicContact CG1-CG 4.22Å; P254-P356 HydrophobicContact CB-CB 4.31Å; P254-P356 HydrophobicContact CB-CG 4.04Å; T256-P356 HydrophobicContact CG2-CB 3.92Å; T256-P356 WeakPolarHBondContact OG1-CA 3.27Å
357	M	98.7	Very high	97.7	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.02	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156.7	179.4	-52	177.9	-161.6	0	0	110.5	L206 Q207 L208 Y229 T256 P257 V258 K259 T354 P355	L206-M357 HydrophobicContact CD1-CB 4.05Å; L206-M357 HydrophobicContact CD1-CG 4.15Å; L206-M357 HydrophobicContact CD1-SD 3.73Å; L206-M357 HydrophobicContact CD2-CB 4.13Å; L206-M357 HydrophobicContact CD2-SD 3.88Å; Q207-M357 WeakPolarHBondContact O-CA 3.07Å; Q207-M357 VanDerWaalsContact O-CB 3.29Å; Q207-M357 WeakPolarHBondContact O-CB 3.36Å; L208-M357 HydrophobicContact CD2-CE 4.06Å; L208-M357 HydrophobicContact CD2-CG 3.87Å; L208-M357 HydrophobicContact CD2-SD 3.87Å; Y229-M357 HydrophobicContact CD1-CE 3.34Å; Y229-M357 HydrophobicContact CD2-CE 4.49Å; Y229-M357 HydrophobicContact CE1-CE 3.33Å; Y229-M357 HydrophobicContact CE2-CE 4.48Å; Y229-M357 HydrophobicContact CG-CE 3.94Å; T256-M357 WeakPolarHBondContact CB-O 3.36Å; T256-M357 PolarHBondContact OG1-N 3.33Å; P257-M357 WeakPolarHBondContact O-CB 3.39Å; V258-M357 HydrophobicContact CB-CE 3.99Å; V258-M357 HydrophobicContact CB-SD 3.89Å; V258-M357 HydrophobicContact CG1-CE 4.01Å; V258-M357 HydrophobicContact CG1-CG 4.42Å; V258-M357 HydrophobicContact CG1-SD 4.15Å; K259-M357 HydrophobicContact CG-CE 4.47Å; K259-M357 HydrophobicContact CG-SD 3.93Å; K259-M357 PolarHBondContact N-SD 2.91Å; K259-M357 VanDerWaalsContact N-SD 3.44Å; T354-M357 HydrophobicContact CG2-CE 3.96Å; P355-M357 HydrophobicContact CG-CE 4.1Å; P355-M357 WeakPolarHBondContact O-CG 3.35Å
358	G	98	Very high	97.7	Very high	5 Å²	5	23 Å²	23	5%	0.052	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	172.1	-176.2	0	0	0	0	0	112.5	L206 Q207	L206-G358 WeakPolarHBondContact CB-O 3.46Å; Q207-G358 PolarHBondContact N-O 3.4Å; Q207-G358 PolarHBondContact O-N 3.44Å; Q207-G358 VanDerWaalsContact O-N 3.08Å
359	P	97.3	Very high	97.7	Very high	16 Å²	16	24 Å²	24	10%	0.104	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	160	174.2	27	-34.3	0	0	0	111.3	L361 K364 G373 W374	P359-L361 PolarHBondContact O-N 2.89Å; P359-K364 HydrophobicContact CG-CB 4.34Å; P359-K364 HydrophobicContact CG-CD 4.25Å; P359-G373 WeakPolarHBondContact CB-O 3.35Å; P359-G373 WeakPolarHBondContact CG-O 3.36Å; P359-W374 HydrophobicContact CB-CD2 4Å; P359-W374 HydrophobicContact CB-CE3 3.8Å; P359-W374 HydrophobicContact CB-CZ3 4.07Å
360	S	94.4	Very high	97.7	Very high	11 Å²	11	24.9 Å²	24.9	8%	0.077	16%	0.156	C	C	.	.			trans	-58.5	131.5	167.4	176.9	0	0	0	0	110.2	V362 V363 K364	S360-V362 PolarHBondContact O-N 3.27Å; S360-V362 PolarHBondContact OG-N 2.97Å; S360-V363 PolarHBondContact O-N 2.94Å; S360-K364 PolarHBondContact O-N 3.45Å
361	L	94.4	Very high	97.6	Very high	112 Å²	112	33.7 Å²	33.7	59%	0.586	20%	0.197	S	C	*	.	H	α-helix	trans	-55.8	-35.5	176.4	-68.3	171.6	0	0	0	112.3	Q207 P359 K364 G365	Q207-L361 VanDerWaalsContact NE2-N 3.11Å; P359-L361 PolarHBondContact O-N 2.89Å; L361-K364 PolarHBondContact O-N 3.22Å; L361-G365 PolarHBondContact O-N 3.38Å
362	V	96.4	Very high	97.5	Very high	23 Å²	23	38.5 Å²	38.5	14%	0.139	22%	0.223	C	C	.	.	H	α-helix	trans	-64.7	-41.4	177.6	178.1	0	0	0	0	111.2	V177 I180 L204 S360 S366	V177-V362 HydrophobicContact CB-CG1 4.28Å; V177-V362 HydrophobicContact CG1-CG1 3.6Å; V177-V362 WeakPolarHBondContact O-CG2 3.25Å; I180-V362 HydrophobicContact CD1-CG1 3.8Å; I180-V362 HydrophobicContact CG1-CG1 3.82Å; L204-V362 HydrophobicContact CD1-CB 4.49Å; L204-V362 HydrophobicContact CD1-CG1 4.49Å; S360-V362 PolarHBondContact O-N 3.27Å; S360-V362 PolarHBondContact OG-N 2.97Å; V362-S366 WeakPolarHBondContact O-CB 3.47Å; V362-S366 PolarHBondContact O-N 3.18Å
363	V	97.2	Very high	97.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-68.6	-49.8	176.6	175.3	0	0	0	0	109.2	V202 L204 S360 G365 S366 A369 L375	V202-V363 HydrophobicContact CG1-CG2 3.93Å; L204-V363 HydrophobicContact CD1-CG2 3.93Å; S360-V363 PolarHBondContact O-N 2.94Å; V363-G365 PolarHBondContact O-N 3.13Å; V363-S366 WeakPolarHBondContact O-CB 3.37Å; V363-S366 PolarHBondContact O-N 3.11Å; V363-S366 PolarHBondContact O-OG 3.1Å; V363-A369 HydrophobicContact CG1-CB 4.49Å; V363-A369 WeakPolarHBondContact O-CB 3.48Å; V363-L375 HydrophobicContact CG1-CB 3.99Å; V363-L375 HydrophobicContact CG1-CD1 4.44Å
364	K	95.9	Very high	97.4	Very high	128 Å²	128	39.8 Å²	39.8	56%	0.557	23%	0.229	S	C	*	.	H	α-helix	trans	-57.1	-34.7	-179.6	-176.5	174.4	-179.4	-179	0	113.1	P359 S360 L361 S366	P359-K364 HydrophobicContact CG-CB 4.34Å; P359-K364 HydrophobicContact CG-CD 4.25Å; S360-K364 PolarHBondContact O-N 3.45Å; L361-K364 PolarHBondContact O-N 3.22Å; K364-S366 VanDerWaalsContact C-N 3.33Å
365	G	95.8	Very high	97.4	Very high	72 Å²	72	39.8 Å²	39.8	74%	0.742	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	2.3	176.9	0	0	0	0	0	114.9	L361 V363	L361-G365 PolarHBondContact O-N 3.38Å; V363-G365 PolarHBondContact O-N 3.13Å
366	S	97.2	Very high	97.4	Very high	14 Å²	14	41.7 Å²	41.7	10%	0.098	24%	0.239	C	C	.	.	S	Bend	trans	-108	160.9	-176.3	75.7	0	0	0	0	112.5	V362 V363 K364 L368 A369	V362-S366 WeakPolarHBondContact O-CB 3.47Å; V362-S366 PolarHBondContact O-N 3.18Å; V363-S366 WeakPolarHBondContact O-CB 3.37Å; V363-S366 PolarHBondContact O-N 3.11Å; V363-S366 PolarHBondContact O-OG 3.1Å; K364-S366 VanDerWaalsContact C-N 3.33Å; S366-L368 PolarHBondContact O-N 3.08Å; S366-L368 WeakPolarHBondContact OG-CB 3.21Å; S366-L368 PolarHBondContact OG-N 3.3Å; S366-A369 PolarHBondContact O-N 3.43Å
367	P	98.2	Very high	97.4	Very high	64 Å²	64	41.4 Å²	41.4	42%	0.416	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-1.2	170.8	-21.1	33.2	0	0	0	114.9	P182 Y387	P182-P367 HydrophobicContact CG-CB 3.88Å; P182-P367 HydrophobicContact CG-CG 4.03Å; P367-Y387 HydrophobicContact CB-CE2 4.19Å
368	L	98.5	Very high	97.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-7.5	179	-57.5	-178.3	0	0	0	113.9	I180 P182 L200 V202 S366 L375 D376 H384 Y387 V390	I180-L368 HydrophobicContact CB-CD1 4.49Å; I180-L368 HydrophobicContact CD1-CD1 4.27Å; I180-L368 HydrophobicContact CG2-CD1 3.7Å; I180-L368 HydrophobicContact CG2-CG 4.47Å; P182-L368 HydrophobicContact CB-CD2 3.63Å; P182-L368 HydrophobicContact CB-CG 4.25Å; P182-L368 HydrophobicContact CG-CD2 3.75Å; P182-L368 HydrophobicContact CG-CG 4.07Å; L200-L368 HydrophobicContact CD2-CD1 4.23Å; V202-L368 HydrophobicContact CG2-CD1 4.15Å; S366-L368 PolarHBondContact O-N 3.08Å; S366-L368 WeakPolarHBondContact OG-CB 3.21Å; S366-L368 PolarHBondContact OG-N 3.3Å; L368-L375 HydrophobicContact CB-CD1 3.61Å; L368-L375 HydrophobicContact CD1-CD1 4.12Å; L368-L375 HydrophobicContact CG-CD1 4.44Å; L368-D376 PolarHBondContact O-N 3.41Å; L368-H384 WeakPolarHBondContact CA-NE2 3.24Å; L368-H384 PolarHBondContact O-NE2 3.03Å; L368-H384 VanDerWaalsContact O-NE2 3.09Å; L368-Y387 HydrophobicContact CD2-CD2 3.37Å; L368-Y387 HydrophobicContact CD2-CE2 3.83Å; L368-Y387 HydrophobicContact CD2-CG 4.12Å; L368-V390 HydrophobicContact CD1-CG1 4.02Å; L368-V390 HydrophobicContact CD2-CB 4.47Å; L368-V390 HydrophobicContact CD2-CG1 4.02Å; L368-V390 HydrophobicContact CD2-CG2 4.27Å
369	A	98.4	Very high	97.4	Very high	27 Å²	27	49.2 Å²	49.2	22%	0.223	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-83	147.5	-177.5	0	0	0	0	0	113	V363 S366 W374	V363-A369 HydrophobicContact CG1-CB 4.49Å; V363-A369 WeakPolarHBondContact O-CB 3.48Å; S366-A369 PolarHBondContact O-N 3.43Å; A369-W374 CarbonylContact C-O 3.59Å; A369-W374 VanDerWaalsContact CA-O 3.27Å; A369-W374 WeakPolarHBondContact CA-O 3.13Å
370	D	98.3	Very high	97.5	Very high	33 Å²	33	51.1 Å²	51.1	18%	0.176	28%	0.28	C	S	.	.			trans	-75.6	178.4	159.8	71.5	12.1	0	0	0	111.3	N372 G373 W374 D376 N398	D370-N372 PolarHBondContact O-N 3.43Å; D370-N372 VanDerWaalsContact O-N 3.08Å; D370-N372 WeakPolarHBondContact OD1-CA 3.32Å; D370-N372 WeakPolarHBondContact OD1-CB 3.44Å; D370-N372 PolarHBondContact OD1-N 3.49Å; D370-G373 PolarHBondContact O-N 3.34Å; D370-G373 PolarHBondContact OD1-N 3.35Å; D370-W374 PolarHBondContact N-O 2.84Å; D370-W374 PolarHBondContact OD1-N 3.37Å; D370-D376 HydrophobicContact CB-CB 4.09Å; D370-N398 WeakPolarHBondContact OD2-CB 3.26Å; D370-N398 PolarHBondContact OD2-ND2 3.4Å
371	E	97.3	Very high	97.7	Very high	184 Å²	184	51.5 Å²	51.5	86%	0.86	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-23.1	178.2	66.5	-158.2	-169.3	0	0	114.6
372	N	96.9	Very high	97.9	Very high	102 Å²	102	46.1 Å²	46.1	55%	0.545	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	0.4	-180	-66.5	-61.8	0	0	0	112.5	D370	D370-N372 PolarHBondContact O-N 3.43Å; D370-N372 VanDerWaalsContact O-N 3.08Å; D370-N372 WeakPolarHBondContact OD1-CA 3.32Å; D370-N372 WeakPolarHBondContact OD1-CB 3.44Å; D370-N372 PolarHBondContact OD1-N 3.49Å
373	G	97.7	Very high	98	Very high	4 Å²	4	46.7 Å²	46.7	4%	0.041	25%	0.254	C	S	.	.	S	Bend	trans	87.7	2.7	179.3	0	0	0	0	0	115.1	P359 D370	P359-G373 WeakPolarHBondContact CB-O 3.35Å; P359-G373 WeakPolarHBondContact CG-O 3.36Å; D370-G373 PolarHBondContact O-N 3.34Å; D370-G373 PolarHBondContact OD1-N 3.35Å
374	W	98.6	Very high	98.1	Very high	24 Å²	24	47.1 Å²	47.1	9%	0.091	26%	0.256	C	S	.	.	S	Bend	trans	-85.3	156.2	177.2	-57.3	99.9	0	0	0	110.6	L206 P257 P359 A369 D370 D376 D395 N398	L206-W374 HydrophobicContact CB-CZ3 4.28Å; P257-W374 HydrophobicContact CB-CH2 4.39Å; P257-W374 HydrophobicContact CB-CZ2 3.92Å; P257-W374 HydrophobicContact CG-CZ2 3.92Å; P359-W374 HydrophobicContact CB-CD2 4Å; P359-W374 HydrophobicContact CB-CE3 3.8Å; P359-W374 HydrophobicContact CB-CZ3 4.07Å; A369-W374 CarbonylContact C-O 3.59Å; A369-W374 VanDerWaalsContact CA-O 3.27Å; A369-W374 WeakPolarHBondContact CA-O 3.13Å; D370-W374 PolarHBondContact N-O 2.84Å; D370-W374 PolarHBondContact OD1-N 3.37Å; W374-D376 PolarHBondContact O-N 3.45Å; W374-D395 WeakPolarHBondContact CZ3-O 3.14Å; W374-N398 HydrophobicContact CB-CB 3.86Å
375	L	98.8	Very high	98.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-63.3	123.7	177.4	-178.8	72.2	0	0	0	110.9	V202 V363 L368 L377 C396 T397 N398	V202-L375 HydrophobicContact CB-CD1 4.4Å; V202-L375 HydrophobicContact CB-CD2 3.68Å; V202-L375 HydrophobicContact CG1-CD2 4.08Å; V202-L375 HydrophobicContact CG2-CD1 4.32Å; V202-L375 HydrophobicContact CG2-CD2 4.34Å; V363-L375 HydrophobicContact CG1-CB 3.99Å; V363-L375 HydrophobicContact CG1-CD1 4.44Å; L368-L375 HydrophobicContact CB-CD1 3.61Å; L368-L375 HydrophobicContact CD1-CD1 4.12Å; L368-L375 HydrophobicContact CG-CD1 4.44Å; L375-L377 HydrophobicContact CD2-CD1 4.06Å; L375-L377 HydrophobicContact CD2-CD2 3.81Å; L375-L377 HydrophobicContact CD2-CG 4.05Å; L375-L377 HydrophobicContact CG-CD2 3.8Å; L375-L377 HydrophobicContact CG-CG 4.01Å; L375-L377 PolarHBondContact O-N 3.42Å; L375-C396 WeakPolarHBondContact CB-O 3.33Å; L375-C396 PolarHBondContact N-O 2.68Å; L375-T397 HydrophobicContact CD2-CG2 4.34Å; L375-N398 VanDerWaalsContact O-CG 3.3Å; L375-N398 PolarHBondContact O-N 3.05Å; L375-N398 PolarHBondContact O-OD1 3.24Å
376	D	98.8	Very high	98.3	Very high	41 Å²	41	48.1 Å²	48.1	22%	0.219	25%	0.245	C	C	.	.			trans	-83.1	98.6	-172.4	-177.5	30.2	0	0	0	112.9	L368 D370 W374 H384 N385 N398	L368-D376 PolarHBondContact O-N 3.41Å; D370-D376 HydrophobicContact CB-CB 4.09Å; W374-D376 PolarHBondContact O-N 3.45Å; D376-H384 WeakPolarHBondContact O-CA 3.09Å; D376-H384 PolarHBondContact O-CD2 3.14Å; D376-H384 VanDerWaalsContact O-CD2 3.26Å; D376-N385 VanDerWaalsContact CG-ND2 3.32Å; D376-N385 PolarHBondContact O-N 3.17Å; D376-N385 PolarHBondContact OD1-ND2 3.36Å; D376-N385 WeakPolarHBondContact OD2-CB 3.46Å; D376-N385 PolarHBondContact OD2-ND2 3.14Å; D376-N398 PolarHBondContact OD1-ND2 2.85Å
377	L	98.8	Very high	98.4	Very high	5 Å²	5	48.2 Å²	48.2	3%	0.026	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-117.1	152.6	-175.2	-57.8	-174.9	0	0	0	113	L375 K379 L382 Q383 H384 N385 T397 N398 L399	L375-L377 HydrophobicContact CD2-CD1 4.06Å; L375-L377 HydrophobicContact CD2-CD2 3.81Å; L375-L377 HydrophobicContact CD2-CG 4.05Å; L375-L377 HydrophobicContact CG-CD2 3.8Å; L375-L377 HydrophobicContact CG-CG 4.01Å; L375-L377 PolarHBondContact O-N 3.42Å; L377-K379 PolarHBondContact O-N 3.18Å; L377-L382 HydrophobicContact CD1-CB 4.46Å; L377-Q383 WeakPolarHBondContact CA-O 3.44Å; L377-H384 HydrophobicContact CD2-CB 4.06Å; L377-N385 VanDerWaalsContact C-ND2 3.31Å; L377-N385 PolarHBondContact O-ND2 3.14Å; L377-T397 HydrophobicContact CD1-CG2 3.47Å; L377-T397 VanDerWaalsContact CD1-CG2 3.47Å; L377-T397 HydrophobicContact CG-CG2 4.49Å; L377-N398 PolarHBondContact N-OD1 2.75Å; L377-N398 VanDerWaalsContact N-OD1 3.1Å; L377-N398 PolarHBondContact O-OD1 3.44Å; L377-L399 HydrophobicContact CB-CD2 4.37Å
378	N	98.6	Very high	98.4	Very high	57 Å²	57	49.4 Å²	49.4	31%	0.305	25%	0.25	S	S	.	.			trans	-64.4	121.2	160.3	-178.5	-67.9	0	0	0	109.2	E380 T381 L382 Q383 N385	N378-E380 PolarHBondContact O-N 2.74Å; N378-E380 VanDerWaalsContact O-N 3.1Å; N378-E380 WeakPolarHBondContact OD1-CB 3.33Å; N378-E380 PolarHBondContact OD1-N 2.8Å; N378-T381 WeakPolarHBondContact CB-OG1 3.43Å; N378-T381 PolarHBondContact O-N 2.7Å; N378-T381 PolarHBondContact OD1-N 3.23Å; N378-T381 PolarHBondContact OD1-OG1 2.78Å; N378-L382 WeakPolarHBondContact O-CA 3.39Å; N378-L382 PolarHBondContact O-N 3.2Å; N378-Q383 WeakPolarHBondContact CB-O 3.39Å; N378-Q383 PolarHBondContact N-O 2.88Å; N378-N385 WeakPolarHBondContact CA-OD1 3.32Å; N378-N385 PolarHBondContact N-OD1 2.88Å; N378-N385 VanDerWaalsContact N-OD1 3.11Å
379	K	98.3	Very high	98.4	Very high	116 Å²	116	50.6 Å²	50.6	50%	0.504	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.3	-173.9	72.1	-179.3	-178.9	180	0	115.3	L377 L399 Y454	L377-K379 PolarHBondContact O-N 3.18Å; K379-L399 HydrophobicContact CB-CD2 4.33Å; K379-Y454 HydrophobicContact CB-CE2 4.42Å; K379-Y454 PolarHBondContact O-OH 2.82Å
380	E	98.5	Very high	98.4	Very high	57 Å²	57	49.3 Å²	49.3	27%	0.266	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-38.3	-176.8	-61.2	-173.5	149.3	0	0	112.2	N378 I414 K431 Y432	N378-E380 PolarHBondContact O-N 2.74Å; N378-E380 VanDerWaalsContact O-N 3.1Å; N378-E380 WeakPolarHBondContact OD1-CB 3.33Å; N378-E380 PolarHBondContact OD1-N 2.8Å; E380-I414 WeakPolarHBondContact O-CG2 3.42Å; E380-K431 HydrophobicContact CB-CB 3.95Å; E380-K431 HydrophobicContact CB-CG 4.04Å; E380-K431 HydrophobicContact CG-CB 4.28Å; E380-K431 HydrophobicContact CG-CD 4.5Å; E380-K431 HydrophobicContact CG-CG 4.38Å; E380-K431 CarbonylContact O-C 3.55Å; E380-K431 WeakPolarHBondContact OE1-CD 3.2Å; E380-K431 IonicContact OE1-NZ 3.92Å; E380-K431 PolarHBondContact OE1-NZ 3.17Å; E380-K431 WeakPolarHBondContact OE2-CD 3.32Å; E380-K431 WeakPolarHBondContact OE2-CE 3.45Å; E380-K431 IonicContact OE2-NZ 3.03Å; E380-K431 PolarHBondContact OE2-NZ 2.58Å; E380-Y432 WeakPolarHBondContact O-CB 3.19Å; E380-Y432 PolarHBondContact O-N 2.76Å
381	T	98.6	Very high	98.4	Very high	18 Å²	18	47.8 Å²	47.8	11%	0.11	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-18.2	-172	67.5	0	0	0	0	114	N378 Q383 T418 P428	N378-T381 WeakPolarHBondContact CB-OG1 3.43Å; N378-T381 PolarHBondContact O-N 2.7Å; N378-T381 PolarHBondContact OD1-N 3.23Å; N378-T381 PolarHBondContact OD1-OG1 2.78Å; T381-Q383 PolarHBondContact O-N 3.15Å; T381-Q383 WeakPolarHBondContact OG1-CB 3.39Å; T381-Q383 PolarHBondContact OG1-N 3.47Å; T381-T418 WeakPolarHBondContact O-CB 3.42Å; T381-T418 WeakPolarHBondContact O-CG2 3.43Å; T381-T418 PolarHBondContact O-OG1 3.33Å; T381-P428 HydrophobicContact CG2-CB 3.78Å; T381-P428 HydrophobicContact CG2-CG 4.16Å
382	L	98.8	Very high	98.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.			trans	65.3	14.6	-174.3	-70.7	69.9	0	0	0	114.4	L377 N378 F391 G392 L399 Q411 I414 L415 Y432	L377-L382 HydrophobicContact CD1-CB 4.46Å; N378-L382 WeakPolarHBondContact O-CA 3.39Å; N378-L382 PolarHBondContact O-N 3.2Å; L382-F391 WeakPolarHBondContact O-CA 3.31Å; L382-G392 PolarHBondContact O-N 2.8Å; L382-L399 HydrophobicContact CD1-CD1 4.38Å; L382-L399 HydrophobicContact CD2-CD1 4.13Å; L382-L399 HydrophobicContact CG-CD1 3.97Å; L382-Q411 HydrophobicContact CD2-CB 3.53Å; L382-Q411 HydrophobicContact CD2-CG 3.79Å; L382-I414 HydrophobicContact CD1-CG2 4.19Å; L382-L415 HydrophobicContact CB-CB 4.4Å; L382-L415 HydrophobicContact CB-CD1 4.05Å; L382-L415 HydrophobicContact CD2-CB 4.21Å; L382-Y432 HydrophobicContact CD1-CD1 4.1Å; L382-Y432 HydrophobicContact CD1-CG 4.2Å
383	Q	98.8	Very high	98.6	Very high	35 Å²	35	34.2 Å²	34.2	16%	0.164	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-82.3	143.8	168.8	-172.9	176.8	16	0	0	109.6	L377 N378 T381 P388 F391 T418	L377-Q383 WeakPolarHBondContact CA-O 3.44Å; N378-Q383 WeakPolarHBondContact CB-O 3.39Å; N378-Q383 PolarHBondContact N-O 2.88Å; T381-Q383 PolarHBondContact O-N 3.15Å; T381-Q383 WeakPolarHBondContact OG1-CB 3.39Å; T381-Q383 PolarHBondContact OG1-N 3.47Å; Q383-P388 PolarHBondContact NE2-O 2.81Å; Q383-F391 HydrophobicContact CB-CD1 3.99Å; Q383-F391 HydrophobicContact CB-CE1 3.94Å; Q383-F391 HydrophobicContact CG-CD1 4.17Å; Q383-F391 HydrophobicContact CG-CE1 3.79Å; Q383-T418 HydrophobicContact CB-CG2 4.47Å
384	H	98.8	Very high	98.7	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.037	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-65	140.9	176.7	-169.3	-69.3	0	0	0	111	L368 D376 L377 K386 Y387 V390	L368-H384 WeakPolarHBondContact CA-NE2 3.24Å; L368-H384 PolarHBondContact O-NE2 3.03Å; L368-H384 VanDerWaalsContact O-NE2 3.09Å; D376-H384 WeakPolarHBondContact O-CA 3.09Å; D376-H384 PolarHBondContact O-CD2 3.14Å; D376-H384 VanDerWaalsContact O-CD2 3.26Å; L377-H384 HydrophobicContact CD2-CB 4.06Å; H384-K386 PolarHBondContact ND1-N 2.87Å; H384-Y387 WeakPolarHBondContact CB-O 3.28Å; H384-Y387 AromaticContact CE1-CD2 3.66Å; H384-Y387 AromaticContact ND1-CD2 3.75Å; H384-Y387 PolarHBondContact ND1-N 3.47Å; H384-Y387 VanDerWaalsContact ND1-N 3.19Å; H384-V390 HydrophobicContact CB-CB 3.86Å; H384-V390 HydrophobicContact CB-CG1 4.07Å; H384-V390 VanDerWaalsContact CB-O 3.3Å; H384-V390 WeakPolarHBondContact CB-O 3.3Å; H384-V390 PolarHBondContact N-O 3.1Å
385	N	98.6	Very high	98.7	Very high	88 Å²	88	34.5 Å²	34.5	47%	0.471	18%	0.175	S	C	.	.	S	Bend	trans	-68.9	-38.7	-174.4	-70.3	-41.5	0	0	0	112.7	D376 L377 N378	D376-N385 VanDerWaalsContact CG-ND2 3.32Å; D376-N385 PolarHBondContact O-N 3.17Å; D376-N385 PolarHBondContact OD1-ND2 3.36Å; D376-N385 WeakPolarHBondContact OD2-CB 3.46Å; D376-N385 PolarHBondContact OD2-ND2 3.14Å; L377-N385 VanDerWaalsContact C-ND2 3.31Å; L377-N385 PolarHBondContact O-ND2 3.14Å; N378-N385 WeakPolarHBondContact CA-OD1 3.32Å; N378-N385 PolarHBondContact N-OD1 2.88Å; N378-N385 VanDerWaalsContact N-OD1 3.11Å
386	K	98.4	Very high	98.6	Very high	134 Å²	134	34.5 Å²	34.5	58%	0.583	18%	0.175	S	C	*	.	S	Bend	trans	-87	-44.6	175.5	-172.7	178	174.3	-162	0	115.7	H384 P388	H384-K386 PolarHBondContact ND1-N 2.87Å; K386-P388 WeakPolarHBondContact O-CD 3.49Å
387	Y	98.8	Very high	98.6	Very high	16 Å²	16	32.6 Å²	32.6	6%	0.063	17%	0.165	C	C	.	.			trans	-106.2	102.7	-170.9	-63.8	-79.4	0	0	0	111.9	P182 D183 P367 L368 H384 N389 V390	P182-Y387 HydrophobicContact CB-CD1 3.79Å; P182-Y387 HydrophobicContact CB-CD2 3.98Å; P182-Y387 HydrophobicContact CB-CE1 3.73Å; P182-Y387 HydrophobicContact CB-CE2 3.92Å; P182-Y387 HydrophobicContact CB-CG 3.92Å; P182-Y387 HydrophobicContact CG-CD1 4.41Å; P182-Y387 HydrophobicContact CG-CD2 4.17Å; P182-Y387 HydrophobicContact CG-CE1 3.91Å; P182-Y387 HydrophobicContact CG-CE2 3.63Å; P182-Y387 VanDerWaalsContact CG-CZ 3.49Å; D183-Y387 WeakPolarHBondContact OD1-CE1 3.28Å; D183-Y387 PolarHBondContact OD1-OH 2.83Å; D183-Y387 PolarHBondContact OD2-OH 2.97Å; P367-Y387 HydrophobicContact CB-CE2 4.19Å; L368-Y387 HydrophobicContact CD2-CD2 3.37Å; L368-Y387 HydrophobicContact CD2-CE2 3.83Å; L368-Y387 HydrophobicContact CD2-CG 4.12Å; H384-Y387 WeakPolarHBondContact CB-O 3.28Å; H384-Y387 AromaticContact CE1-CD2 3.66Å; H384-Y387 AromaticContact ND1-CD2 3.75Å; H384-Y387 PolarHBondContact ND1-N 3.47Å; H384-Y387 VanDerWaalsContact ND1-N 3.19Å; Y387-N389 PolarHBondContact O-N 3.37Å; Y387-N389 VanDerWaalsContact O-N 3.11Å; Y387-V390 HydrophobicContact CG-CG2 4.44Å; Y387-V390 PolarHBondContact O-N 3.49Å
388	P	98	Very high	98.6	Very high	88 Å²	88	34.3 Å²	34.3	57%	0.571	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.3	-168	26.5	-35.5	0	0	0	114.6	Q383 K386	Q383-P388 PolarHBondContact NE2-O 2.81Å; K386-P388 WeakPolarHBondContact O-CD 3.49Å
389	N	98.7	Very high	98.6	Very high	26 Å²	26	31.9 Å²	31.9	14%	0.139	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	2.9	175.9	67.2	-32.1	0	0	0	113.6	N185 E198 Y199 L200 Y387	N185-N389 PolarHBondContact OD1-ND2 3.23Å; E198-N389 WeakPolarHBondContact O-CB 3.49Å; E198-N389 PolarHBondContact O-ND2 3.23Å; Y199-N389 WeakPolarHBondContact CA-O 3.34Å; Y199-N389 HydrophobicContact CD1-CB 3.81Å; Y199-N389 HydrophobicContact CE1-CB 4.21Å; L200-N389 PolarHBondContact N-O 3.47Å; Y387-N389 PolarHBondContact O-N 3.37Å; Y387-N389 VanDerWaalsContact O-N 3.11Å
390	V	98.9	Very high	98.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	138.9	177.7	-179.2	0	0	0	0	110	L200 V202 L368 H384 Y387	L200-V390 HydrophobicContact CB-CG1 4.42Å; L200-V390 HydrophobicContact CB-CG2 4.18Å; L200-V390 HydrophobicContact CD2-CG1 4.19Å; L200-V390 HydrophobicContact CD2-CG2 4.35Å; V202-V390 HydrophobicContact CG2-CG1 4.4Å; L368-V390 HydrophobicContact CD1-CG1 4.02Å; L368-V390 HydrophobicContact CD2-CB 4.47Å; L368-V390 HydrophobicContact CD2-CG1 4.02Å; L368-V390 HydrophobicContact CD2-CG2 4.27Å; H384-V390 HydrophobicContact CB-CB 3.86Å; H384-V390 HydrophobicContact CB-CG1 4.07Å; H384-V390 VanDerWaalsContact CB-O 3.3Å; H384-V390 WeakPolarHBondContact CB-O 3.3Å; H384-V390 PolarHBondContact N-O 3.1Å; Y387-V390 HydrophobicContact CG-CG2 4.44Å; Y387-V390 PolarHBondContact O-N 3.49Å
391	F	98.9	Very high	98.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	166.7	178.4	-52	-85.7	0	0	0	110.4	Y199 L200 I201 V202 L382 Q383 L415 T418 I419 L422	Y199-F391 AromaticContact CD1-CE2 3.91Å; Y199-F391 HydrophobicContact CD1-CE2 3.91Å; Y199-F391 HydrophobicContact CD1-CZ 4.49Å; L200-F391 WeakPolarHBondContact O-CD2 3.39Å; L200-F391 PolarHBondContact O-N 3.36Å; I201-F391 WeakPolarHBondContact CA-O 3.45Å; I201-F391 HydrophobicContact CG1-CB 4.28Å; V202-F391 PolarHBondContact N-O 3.32Å; L382-F391 WeakPolarHBondContact O-CA 3.31Å; Q383-F391 HydrophobicContact CB-CD1 3.99Å; Q383-F391 HydrophobicContact CB-CE1 3.94Å; Q383-F391 HydrophobicContact CG-CD1 4.17Å; Q383-F391 HydrophobicContact CG-CE1 3.79Å; F391-L415 HydrophobicContact CB-CD1 3.61Å; F391-L415 HydrophobicContact CB-CD2 4.33Å; F391-L415 HydrophobicContact CD1-CD1 3.57Å; F391-L415 HydrophobicContact CG-CD1 3.77Å; F391-T418 HydrophobicContact CD1-CG2 4.43Å; F391-T418 HydrophobicContact CE1-CG2 4.01Å; F391-I419 HydrophobicContact CD1-CG1 4.02Å; F391-I419 HydrophobicContact CD2-CD1 4.03Å; F391-I419 HydrophobicContact CD2-CG1 3.94Å; F391-I419 HydrophobicContact CE1-CG1 3.93Å; F391-I419 HydrophobicContact CE2-CD1 4.34Å; F391-I419 HydrophobicContact CE2-CG1 3.84Å; F391-I419 HydrophobicContact CG-CD1 4.17Å; F391-I419 HydrophobicContact CG-CG1 4.05Å; F391-I419 HydrophobicContact CZ-CG1 3.85Å; F391-L422 HydrophobicContact CE1-CD1 3.46Å; F391-L422 VanDerWaalsContact CE1-CD1 3.46Å; F391-L422 HydrophobicContact CZ-CD1 3.51Å
392	G	98.8	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	169.6	169.4	0	0	0	0	0	115	V202 L382	V202-G392 WeakPolarHBondContact O-CA 3.08Å; L382-G392 PolarHBondContact O-N 2.8Å
393	I	98.9	Very high	98.4	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	17%	0.169	C	C	.	.			trans	-153.9	143.6	-174.1	-174.6	167.7	0	0	0	111.4	M117 I201 V202 A203 V408 Q411 L415	M117-I393 HydrophobicContact CG-CD1 3.95Å; M117-I393 HydrophobicContact CG-CG2 4.15Å; M117-I393 HydrophobicContact SD-CD1 4.15Å; I201-I393 HydrophobicContact CG2-CG2 4.14Å; V202-I393 PolarHBondContact O-N 3.08Å; V202-I393 VanDerWaalsContact O-N 3.1Å; A203-I393 HydrophobicContact CB-CG2 3.69Å; I393-V408 HydrophobicContact CD1-CG1 4.14Å; I393-V408 HydrophobicContact CG1-CG1 4.35Å; I393-Q411 HydrophobicContact CD1-CB 3.98Å; I393-Q411 HydrophobicContact CG1-CB 3.86Å; I393-L415 HydrophobicContact CB-CD2 4.15Å
394	G	98.6	Very high	98.4	Very high	6 Å²	6	29.4 Å²	29.4	6%	0.062	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	78.8	-149	172.1	0	0	0	0	0	114.3	C396 T397	G394-C396 PolarHBondContact O-N 3.17Å; G394-C396 VanDerWaalsContact O-N 3.16Å; G394-T397 WeakPolarHBondContact O-CB 3.36Å; G394-T397 WeakPolarHBondContact O-CG2 3.39Å; G394-T397 PolarHBondContact O-N 3.31Å; G394-T397 PolarHBondContact O-OG1 3.31Å
395	D	98.7	Very high	98.3	Very high	27 Å²	27	30.5 Å²	30.5	14%	0.144	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-67.8	-20.3	-162.1	-57.1	-6.2	0	0	0	114	G205 L206 K259 W374 T397 K403	G205-D395 CarbonylContact O-C 3.6Å; L206-D395 HydrophobicContact CB-CB 4.1Å; L206-D395 HydrophobicContact CD2-CB 4.09Å; L206-D395 HydrophobicContact CG-CB 3.95Å; K259-D395 WeakPolarHBondContact CB-OD2 3.46Å; W374-D395 WeakPolarHBondContact CZ3-O 3.14Å; D395-T397 PolarHBondContact O-N 3.4Å; D395-K403 HydrophobicContact CB-CB 4.35Å; D395-K403 HydrophobicContact CB-CD 4.19Å; D395-K403 HydrophobicContact CB-CG 4.48Å; D395-K403 PolarHBondContact O-NZ 2.99Å; D395-K403 WeakPolarHBondContact OD1-CB 3.47Å
396	C	98.4	Very high	98.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-74.2	-9.9	178.5	61	0	0	0	0	113.9	V202 G205 L375 G394	V202-C396 PolarHBondContact O-SG 3.37Å; V202-C396 VanDerWaalsContact O-SG 3.4Å; G205-C396 WeakPolarHBondContact O-CA 3.13Å; G205-C396 WeakPolarHBondContact O-CB 3.47Å; G205-C396 PolarHBondContact O-N 2.83Å; G205-C396 VanDerWaalsContact O-N 3.12Å; L375-C396 WeakPolarHBondContact CB-O 3.33Å; L375-C396 PolarHBondContact N-O 2.68Å; G394-C396 PolarHBondContact O-N 3.17Å; G394-C396 VanDerWaalsContact O-N 3.16Å
397	T	98.7	Very high	98.3	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.012	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-90.5	159.5	-171.1	67.8	0	0	0	0	113.4	L375 L377 G394 D395 L399 K403	L375-T397 HydrophobicContact CD2-CG2 4.34Å; L377-T397 HydrophobicContact CD1-CG2 3.47Å; L377-T397 VanDerWaalsContact CD1-CG2 3.47Å; L377-T397 HydrophobicContact CG-CG2 4.49Å; G394-T397 WeakPolarHBondContact O-CB 3.36Å; G394-T397 WeakPolarHBondContact O-CG2 3.39Å; G394-T397 PolarHBondContact O-N 3.31Å; G394-T397 PolarHBondContact O-OG1 3.31Å; D395-T397 PolarHBondContact O-N 3.4Å; T397-L399 PolarHBondContact O-N 3.22Å; T397-L399 WeakPolarHBondContact OG1-CG 3.48Å; T397-K403 PolarHBondContact O-NZ 2.94Å
398	N	98.4	Very high	98.3	Very high	41 Å²	41	20.8 Å²	20.8	22%	0.219	14%	0.137	C	C	.	.			trans	-84.5	10.4	170.4	72	-10.2	0	0	0	114.1	D370 W374 L375 D376 L377 P400	D370-N398 WeakPolarHBondContact OD2-CB 3.26Å; D370-N398 PolarHBondContact OD2-ND2 3.4Å; W374-N398 HydrophobicContact CB-CB 3.86Å; L375-N398 VanDerWaalsContact O-CG 3.3Å; L375-N398 PolarHBondContact O-N 3.05Å; L375-N398 PolarHBondContact O-OD1 3.24Å; D376-N398 PolarHBondContact OD1-ND2 2.85Å; L377-N398 PolarHBondContact N-OD1 2.75Å; L377-N398 VanDerWaalsContact N-OD1 3.1Å; L377-N398 PolarHBondContact O-OD1 3.44Å; N398-P400 WeakPolarHBondContact O-CD 3.4Å
399	L	98.4	Very high	98.4	Very high	6 Å²	6	16.7 Å²	16.7	3%	0.031	11%	0.111	C	C	.	.			trans	-57.3	123.7	-179.8	-60.6	178.5	0	0	0	110.3	L377 K379 L382 T397 T401 Q411 Y432	L377-L399 HydrophobicContact CB-CD2 4.37Å; K379-L399 HydrophobicContact CB-CD2 4.33Å; L382-L399 HydrophobicContact CD1-CD1 4.38Å; L382-L399 HydrophobicContact CD2-CD1 4.13Å; L382-L399 HydrophobicContact CG-CD1 3.97Å; T397-L399 PolarHBondContact O-N 3.22Å; T397-L399 WeakPolarHBondContact OG1-CG 3.48Å; L399-T401 PolarHBondContact O-N 3.31Å; L399-Q411 HydrophobicContact CD1-CG 4.18Å; L399-Y432 HydrophobicContact CD1-CD1 4.41Å; L399-Y432 HydrophobicContact CD1-CE1 4.22Å
400	P	97.2	Very high	98.4	Very high	84 Å²	84	16 Å²	16	55%	0.545	11%	0.108	S	C	.	.	S	Bend	trans	-81.1	56.8	-169.4	32.7	-37	0	0	0	112.3	N398 Y454	N398-P400 WeakPolarHBondContact O-CD 3.4Å; P400-Y454 HydrophobicContact CG-CD1 3.91Å; P400-Y454 HydrophobicContact CG-CE1 3.66Å; P400-Y454 WeakPolarHBondContact O-CD1 3.41Å
401	T	97.4	Very high	98.4	Very high	24 Å²	24	16.2 Å²	16.2	15%	0.147	11%	0.109	C	C	.	.	S	Bend	trans	-141.3	168.9	176.9	-174.1	0	0	0	0	110.4	L399 K403 Y432 G434 T436 Y454	L399-T401 PolarHBondContact O-N 3.31Å; T401-K403 PolarHBondContact O-N 2.93Å; T401-Y432 HydrophobicContact CG2-CE1 4.13Å; T401-G434 WeakPolarHBondContact CB-O 3.32Å; T401-G434 PolarHBondContact OG1-O 3.45Å; T401-T436 WeakPolarHBondContact OG1-CG2 3.49Å; T401-Y454 HydrophobicContact CG2-CE1 3.97Å
402	A	96.4	Very high	98.4	Very high	28 Å²	28	16.2 Å²	16.2	23%	0.231	11%	0.109	C	C	.	.			trans	-64.4	126.8	179.3	0	0	0	0	0	111.2	T404 T436 F452	A402-T404 HydrophobicContact CB-CG2 4.14Å; A402-T404 PolarHBondContact O-N 3.24Å; A402-T404 VanDerWaalsContact O-N 3.07Å; A402-T436 HydrophobicContact CB-CG2 3.8Å; A402-T436 PolarHBondContact O-OG1 2.87Å; A402-F452 HydrophobicContact CB-CE2 4.22Å; A402-F452 HydrophobicContact CB-CZ 3.97Å
403	K	98.4	Very high	98.3	Very high	27 Å²	27	17.9 Å²	17.9	12%	0.117	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-70.3	95.4	178	-67.4	177.2	-170.3	-73.8	0	110.6	L206 K259 C260 D395 T397 T401	L206-K403 HydrophobicContact CD2-CD 4.28Å; K259-K403 WeakPolarHBondContact CA-O 3.26Å; C260-K403 PolarHBondContact N-O 2.89Å; D395-K403 HydrophobicContact CB-CB 4.35Å; D395-K403 HydrophobicContact CB-CD 4.19Å; D395-K403 HydrophobicContact CB-CG 4.48Å; D395-K403 PolarHBondContact O-NZ 2.99Å; D395-K403 WeakPolarHBondContact OD1-CB 3.47Å; T397-K403 PolarHBondContact O-NZ 2.94Å; T401-K403 PolarHBondContact O-N 2.93Å
404	T	98.6	Very high	98.3	Very high	10 Å²	10	18.9 Å²	18.9	6%	0.061	13%	0.128	C	C	.	.			trans	-139.8	159.1	-175.3	75.8	0	0	0	0	112.6	A402 A406 A407 V408 T436	A402-T404 HydrophobicContact CB-CG2 4.14Å; A402-T404 PolarHBondContact O-N 3.24Å; A402-T404 VanDerWaalsContact O-N 3.07Å; T404-A406 PolarHBondContact O-N 3.02Å; T404-A406 PolarHBondContact OG1-N 2.68Å; T404-A407 WeakPolarHBondContact O-CB 3.39Å; T404-A407 PolarHBondContact O-N 2.97Å; T404-A407 PolarHBondContact OG1-N 3.11Å; T404-V408 PolarHBondContact O-N 2.81Å; T404-T436 WeakPolarHBondContact CG2-OG1 3.3Å; T404-T436 PolarHBondContact OG1-OG1 2.94Å
405	G	97.6	Very high	98.3	Very high	31 Å²	31	18.6 Å²	18.6	32%	0.32	13%	0.126	S	C	.	.	H	α-helix	trans	-62.7	-25.3	171.8	0	0	0	0	0	113.8	A409	G405-A409 PolarHBondContact O-N 2.76Å; G405-A409 VanDerWaalsContact O-N 3.1Å
406	A	98.4	Very high	98.3	Very high	27 Å²	27	19.2 Å²	19.2	22%	0.223	13%	0.129	C	C	.	.	H	α-helix	trans	-72.7	-39.8	174.2	0	0	0	0	0	111.7	T404 A409 A410 Y435	T404-A406 PolarHBondContact O-N 3.02Å; T404-A406 PolarHBondContact OG1-N 2.68Å; A406-A409 WeakPolarHBondContact O-CB 3.47Å; A406-A409 PolarHBondContact O-N 3.23Å; A406-A410 PolarHBondContact O-N 3.11Å; A406-A410 VanDerWaalsContact O-N 3.16Å; A406-Y435 HydrophobicContact CB-CE1 4.33Å
407	A	98.8	Very high	98.3	Very high	1 Å²	1	24 Å²	24	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-60.2	-47.9	171.3	0	0	0	0	0	110.5	T404 A409 A410 Q411 Y435	T404-A407 WeakPolarHBondContact O-CB 3.39Å; T404-A407 PolarHBondContact O-N 2.97Å; T404-A407 PolarHBondContact OG1-N 3.11Å; A407-A409 PolarHBondContact O-N 2.83Å; A407-A410 PolarHBondContact O-N 2.73Å; A407-A410 VanDerWaalsContact O-N 3.12Å; A407-Q411 VanDerWaalsContact O-CB 3.25Å; A407-Q411 WeakPolarHBondContact O-CB 3.21Å; A407-Q411 WeakPolarHBondContact O-CG 3.44Å; A407-Q411 PolarHBondContact O-N 2.81Å; A407-Y435 WeakPolarHBondContact CA-O 3.28Å
408	V	98.8	Very high	98.3	Very high	7 Å²	7	24 Å²	24	4%	0.042	15%	0.147	C	C	.	.	H	α-helix	trans	-53.2	-42.9	174.4	170.6	0	0	0	0	111.7	I393 T404 S412	I393-V408 HydrophobicContact CD1-CG1 4.14Å; I393-V408 HydrophobicContact CG1-CG1 4.35Å; T404-V408 PolarHBondContact O-N 2.81Å; V408-S412 WeakPolarHBondContact O-CB 3.36Å; V408-S412 PolarHBondContact O-N 2.96Å
409	A	98.7	Very high	98.3	Very high	1 Å²	1	22 Å²	22	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-60.2	-49.4	178	0	0	0	0	0	112.4	G405 A406 A407 S412 L489 W494 G495	G405-A409 PolarHBondContact O-N 2.76Å; G405-A409 VanDerWaalsContact O-N 3.1Å; A406-A409 WeakPolarHBondContact O-CB 3.47Å; A406-A409 PolarHBondContact O-N 3.23Å; A407-A409 PolarHBondContact O-N 2.83Å; A409-S412 PolarHBondContact O-N 2.78Å; A409-S412 PolarHBondContact O-OG 2.84Å; A409-L489 HydrophobicContact CB-CD1 3.77Å; A409-W494 VanDerWaalsContact CB-CD1 3.45Å; A409-G495 CarbonylContact O-C 3.58Å; A409-G495 VanDerWaalsContact O-C 3.27Å; A409-G495 VanDerWaalsContact O-CA 3.3Å; A409-G495 WeakPolarHBondContact O-CA 3.38Å
410	A	98.7	Very high	98.3	Very high	11 Å²	11	22.7 Å²	22.7	9%	0.091	15%	0.145	C	C	.	.	H	α-helix	trans	-66.7	-44.3	178.8	0	0	0	0	0	112.7	A406 A407 S412 A413 I414 Y432 Y435 G495	A406-A410 PolarHBondContact O-N 3.11Å; A406-A410 VanDerWaalsContact O-N 3.16Å; A407-A410 PolarHBondContact O-N 2.73Å; A407-A410 VanDerWaalsContact O-N 3.12Å; A410-S412 VanDerWaalsContact C-N 3.27Å; A410-S412 PolarHBondContact O-N 3.04Å; A410-A413 PolarHBondContact O-N 2.99Å; A410-A413 VanDerWaalsContact O-N 3.14Å; A410-I414 PolarHBondContact O-N 2.95Å; A410-Y432 HydrophobicContact CB-CE2 3.91Å; A410-Y435 HydrophobicContact CB-CD1 3.61Å; A410-Y435 HydrophobicContact CB-CE1 4.46Å; A410-Y435 HydrophobicContact CB-CG 4.4Å; A410-G495 WeakPolarHBondContact CA-O 3.47Å
411	Q	98.9	Very high	98.4	Very high	5 Å²	5	21 Å²	21	2%	0.023	13%	0.129	C	C	.	.	H	α-helix	trans	-54.4	-42.8	173.7	-72.6	170.3	7.7	0	0	111.6	L382 I393 L399 A407 A413 I414 L415 Y432	L382-Q411 HydrophobicContact CD2-CB 3.53Å; L382-Q411 HydrophobicContact CD2-CG 3.79Å; I393-Q411 HydrophobicContact CD1-CB 3.98Å; I393-Q411 HydrophobicContact CG1-CB 3.86Å; L399-Q411 HydrophobicContact CD1-CG 4.18Å; A407-Q411 VanDerWaalsContact O-CB 3.25Å; A407-Q411 WeakPolarHBondContact O-CB 3.21Å; A407-Q411 WeakPolarHBondContact O-CG 3.44Å; A407-Q411 PolarHBondContact O-N 2.81Å; Q411-A413 PolarHBondContact O-N 2.83Å; Q411-I414 PolarHBondContact O-N 2.99Å; Q411-I414 VanDerWaalsContact O-N 3.17Å; Q411-L415 WeakPolarHBondContact O-CB 3.3Å; Q411-L415 PolarHBondContact O-N 2.65Å; Q411-Y432 HydrophobicContact CG-CD1 4.2Å; Q411-Y432 HydrophobicContact CG-CD2 4.4Å; Q411-Y432 HydrophobicContact CG-CE1 3.76Å; Q411-Y432 HydrophobicContact CG-CE2 3.95Å
412	S	98.8	Very high	98.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.2	-32.5	-179.4	80.4	0	0	0	0	113.3	C116 R120 V408 A409 A410 N416	C116-S412 VanDerWaalsContact SG-CB 3.56Å; R120-S412 PolarHBondContact NE-OG 2.99Å; R120-S412 PolarHBondContact NH2-OG 3.38Å; V408-S412 WeakPolarHBondContact O-CB 3.36Å; V408-S412 PolarHBondContact O-N 2.96Å; A409-S412 PolarHBondContact O-N 2.78Å; A409-S412 PolarHBondContact O-OG 2.84Å; A410-S412 VanDerWaalsContact C-N 3.27Å; A410-S412 PolarHBondContact O-N 3.04Å; S412-N416 WeakPolarHBondContact O-CB 3.46Å; S412-N416 PolarHBondContact O-N 3.21Å; S412-N416 VanDerWaalsContact O-N 3.08Å
413	A	98.4	Very high	98.3	Very high	36 Å²	36	22.3 Å²	22.3	30%	0.298	13%	0.131	S	C	.	.	H	α-helix	trans	-73.1	-40.5	178.1	0	0	0	0	0	111.5	A410 Q411 R417	A410-A413 PolarHBondContact O-N 2.99Å; A410-A413 VanDerWaalsContact O-N 3.14Å; Q411-A413 PolarHBondContact O-N 2.83Å; A413-R417 PolarHBondContact O-N 2.86Å
414	I	98.8	Very high	98.2	Very high	22 Å²	22	28.1 Å²	28.1	11%	0.113	16%	0.156	C	C	.	.	H	α-helix	trans	-67	-53	175.9	-60.7	-62.3	0	0	0	110	E380 L382 A410 Q411 N416 R417 T418 K430 Y432	E380-I414 WeakPolarHBondContact O-CG2 3.42Å; L382-I414 HydrophobicContact CD1-CG2 4.19Å; A410-I414 PolarHBondContact O-N 2.95Å; Q411-I414 PolarHBondContact O-N 2.99Å; Q411-I414 VanDerWaalsContact O-N 3.17Å; I414-N416 VanDerWaalsContact C-N 3.3Å; I414-N416 PolarHBondContact O-N 2.81Å; I414-R417 CarbonylContact O-C 3.48Å; I414-R417 WeakPolarHBondContact O-CA 3.16Å; I414-R417 WeakPolarHBondContact O-CB 3.48Å; I414-R417 PolarHBondContact O-N 3.22Å; I414-T418 PolarHBondContact O-N 3.24Å; I414-T418 PolarHBondContact O-OG1 3.08Å; I414-K430 HydrophobicContact CD1-CB 4.1Å; I414-Y432 HydrophobicContact CG1-CD2 4.32Å
415	L	98.7	Very high	98.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-39.2	-177.6	-179	56.7	0	0	0	112.3	M117 I201 L382 F391 I393 Q411 R417 T418 I419	M117-L415 HydrophobicContact CE-CB 4.14Å; M117-L415 HydrophobicContact CE-CD2 3.76Å; M117-L415 HydrophobicContact CE-CG 3.68Å; M117-L415 HydrophobicContact CG-CD2 4.17Å; M117-L415 HydrophobicContact SD-CB 4.31Å; M117-L415 HydrophobicContact SD-CD2 4Å; M117-L415 HydrophobicContact SD-CG 4.29Å; I201-L415 HydrophobicContact CG2-CD2 4.4Å; L382-L415 HydrophobicContact CB-CB 4.4Å; L382-L415 HydrophobicContact CB-CD1 4.05Å; L382-L415 HydrophobicContact CD2-CB 4.21Å; F391-L415 HydrophobicContact CB-CD1 3.61Å; F391-L415 HydrophobicContact CB-CD2 4.33Å; F391-L415 HydrophobicContact CD1-CD1 3.57Å; F391-L415 HydrophobicContact CG-CD1 3.77Å; I393-L415 HydrophobicContact CB-CD2 4.15Å; Q411-L415 WeakPolarHBondContact O-CB 3.3Å; Q411-L415 PolarHBondContact O-N 2.65Å; L415-R417 VanDerWaalsContact C-N 3.28Å; L415-R417 PolarHBondContact O-N 3.16Å; L415-T418 PolarHBondContact O-N 2.82Å; L415-I419 HydrophobicContact CD1-CD1 3.82Å; L415-I419 HydrophobicContact CD1-CG1 3.92Å; L415-I419 HydrophobicContact CG-CD1 3.88Å; L415-I419 HydrophobicContact CG-CG1 4.4Å; L415-I419 WeakPolarHBondContact O-CG1 3.34Å; L415-I419 PolarHBondContact O-N 3.27Å
416	N	98.6	Very high	98.1	Very high	40 Å²	40	38 Å²	38	21%	0.214	20%	0.199	C	C	.	.	H	α-helix	trans	-58.5	-39.5	172.7	-178.3	81	0	0	0	112.9	R120 M121 M124 S412 I414 G420	R120-N416 WeakPolarHBondContact CB-OD1 3.42Å; M121-N416 WeakPolarHBondContact CE-OD1 3.48Å; M124-N416 PolarHBondContact SD-OD1 2.78Å; S412-N416 WeakPolarHBondContact O-CB 3.46Å; S412-N416 PolarHBondContact O-N 3.21Å; S412-N416 VanDerWaalsContact O-N 3.08Å; I414-N416 VanDerWaalsContact C-N 3.3Å; I414-N416 PolarHBondContact O-N 2.81Å; N416-G420 PolarHBondContact O-N 3.21Å
417	R	98.4	Very high	97.9	Very high	100 Å²	100	45.5 Å²	45.5	38%	0.377	23%	0.226	S	C	.	.	H	α-helix	trans	-74	-40.9	177.1	-173.7	166.4	178.6	125	-3.4	111.6	A413 I414 L415 G420 K421 D429	A413-R417 PolarHBondContact O-N 2.86Å; I414-R417 CarbonylContact O-C 3.48Å; I414-R417 WeakPolarHBondContact O-CA 3.16Å; I414-R417 WeakPolarHBondContact O-CB 3.48Å; I414-R417 PolarHBondContact O-N 3.22Å; L415-R417 VanDerWaalsContact C-N 3.28Å; L415-R417 PolarHBondContact O-N 3.16Å; R417-G420 PolarHBondContact O-N 2.81Å; R417-K421 WeakPolarHBondContact O-CB 3.14Å; R417-K421 VanDerWaalsContact O-CG 3.29Å; R417-K421 WeakPolarHBondContact O-CG 3.45Å; R417-K421 PolarHBondContact O-N 3.01Å; R417-D429 IonicContact CZ-OD1 3.11Å; R417-D429 IonicContact CZ-OD2 3.48Å; R417-D429 IonicContact NE-OD1 3.43Å; R417-D429 PolarHBondContact NE-OD1 2.95Å; R417-D429 IonicContact NE-OD2 3.56Å; R417-D429 VanDerWaalsContact NH2-CG 3.31Å; R417-D429 IonicContact NH2-OD1 2.71Å; R417-D429 PolarHBondContact NH2-OD1 3.06Å; R417-D429 IonicContact NH2-OD2 3.11Å; R417-D429 PolarHBondContact NH2-OD2 2.93Å
418	T	98.8	Very high	97.9	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.012	24%	0.237	C	C	.	.	H	α-helix	trans	-54.6	-57.3	173.5	-59.6	0	0	0	0	110.4	T381 Q383 F391 I414 L415 G420 K421 L422 P428	T381-T418 WeakPolarHBondContact O-CB 3.42Å; T381-T418 WeakPolarHBondContact O-CG2 3.43Å; T381-T418 PolarHBondContact O-OG1 3.33Å; Q383-T418 HydrophobicContact CB-CG2 4.47Å; F391-T418 HydrophobicContact CD1-CG2 4.43Å; F391-T418 HydrophobicContact CE1-CG2 4.01Å; I414-T418 PolarHBondContact O-N 3.24Å; I414-T418 PolarHBondContact O-OG1 3.08Å; L415-T418 PolarHBondContact O-N 2.82Å; T418-G420 VanDerWaalsContact C-N 3.31Å; T418-G420 PolarHBondContact O-N 3.18Å; T418-K421 PolarHBondContact O-N 2.91Å; T418-K421 VanDerWaalsContact O-N 3.15Å; T418-L422 HydrophobicContact CG2-CD1 3.89Å; T418-L422 WeakPolarHBondContact O-CG 3.36Å; T418-L422 PolarHBondContact O-N 3.44Å; T418-P428 HydrophobicContact CG2-CB 4.32Å; T418-P428 HydrophobicContact CG2-CG 3.9Å
419	I	98.5	Very high	97.7	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-60.9	-42.9	-180	-64.1	170.2	0	0	0	110.4	M105 M117 M121 M124 I201 F391 L415 K421 L422 L423	M105-I419 HydrophobicContact CE-CD1 4.28Å; M105-I419 HydrophobicContact CE-CG2 4.16Å; M117-I419 HydrophobicContact CE-CD1 4.13Å; M121-I419 HydrophobicContact CE-CB 4.5Å; M121-I419 HydrophobicContact CE-CD1 4.27Å; M121-I419 HydrophobicContact CE-CG2 4.44Å; M121-I419 HydrophobicContact SD-CB 4.33Å; M121-I419 HydrophobicContact SD-CD1 3.82Å; M121-I419 HydrophobicContact SD-CG2 3.77Å; M124-I419 HydrophobicContact CE-CG2 4.12Å; I201-I419 HydrophobicContact CD1-CD1 3.71Å; I201-I419 HydrophobicContact CG1-CD1 4.1Å; F391-I419 HydrophobicContact CD1-CG1 4.02Å; F391-I419 HydrophobicContact CD2-CD1 4.03Å; F391-I419 HydrophobicContact CD2-CG1 3.94Å; F391-I419 HydrophobicContact CE1-CG1 3.93Å; F391-I419 HydrophobicContact CE2-CD1 4.34Å; F391-I419 HydrophobicContact CE2-CG1 3.84Å; F391-I419 HydrophobicContact CG-CD1 4.17Å; F391-I419 HydrophobicContact CG-CG1 4.05Å; F391-I419 HydrophobicContact CZ-CG1 3.85Å; L415-I419 HydrophobicContact CD1-CD1 3.82Å; L415-I419 HydrophobicContact CD1-CG1 3.92Å; L415-I419 HydrophobicContact CG-CD1 3.88Å; L415-I419 HydrophobicContact CG-CG1 4.4Å; L415-I419 WeakPolarHBondContact O-CG1 3.34Å; L415-I419 PolarHBondContact O-N 3.27Å; I419-K421 VanDerWaalsContact C-N 3.26Å; I419-K421 PolarHBondContact O-N 3.03Å; I419-L422 PolarHBondContact O-N 2.82Å; I419-L423 HydrophobicContact CG2-CD1 3.78Å; I419-L423 HydrophobicContact CG2-CG 4.1Å; I419-L423 WeakPolarHBondContact O-CB 3.34Å; I419-L423 VanDerWaalsContact O-CG 3.3Å; I419-L423 WeakPolarHBondContact O-CG 3.33Å; I419-L423 PolarHBondContact O-N 3.12Å
420	G	98.3	Very high	97.7	Very high	20 Å²	20	55.7 Å²	55.7	21%	0.206	28%	0.277	C	S	.	.	H	α-helix	trans	-63.2	-29.2	179.2	0	0	0	0	0	114.3	N416 R417 T418 K424	N416-G420 PolarHBondContact O-N 3.21Å; R417-G420 PolarHBondContact O-N 2.81Å; T418-G420 VanDerWaalsContact C-N 3.31Å; T418-G420 PolarHBondContact O-N 3.18Å; G420-K424 WeakPolarHBondContact O-CG 3.18Å
421	K	98.2	Very high	97.7	Very high	47 Å²	47	61.6 Å²	61.6	20%	0.204	30%	0.3	C	S	.	.	H	α-helix	trans	-75.5	-47	172.8	-73.8	-75.7	175	165.9	0	111.2	R417 T418 I419 L423 K424 N425 Q426 D429	R417-K421 WeakPolarHBondContact O-CB 3.14Å; R417-K421 VanDerWaalsContact O-CG 3.29Å; R417-K421 WeakPolarHBondContact O-CG 3.45Å; R417-K421 PolarHBondContact O-N 3.01Å; T418-K421 PolarHBondContact O-N 2.91Å; T418-K421 VanDerWaalsContact O-N 3.15Å; I419-K421 VanDerWaalsContact C-N 3.26Å; I419-K421 PolarHBondContact O-N 3.03Å; K421-L423 PolarHBondContact O-N 3.44Å; K421-K424 CarbonylContact O-C 3.56Å; K421-K424 WeakPolarHBondContact O-CA 3.36Å; K421-K424 PolarHBondContact O-N 3.11Å; K421-N425 PolarHBondContact O-N 3.48Å; K421-Q426 CarbonylContact C-O 3.57Å; K421-Q426 VanDerWaalsContact C-O 3.29Å; K421-Q426 HydrophobicContact CB-CB 4.2Å; K421-Q426 HydrophobicContact CD-CB 3.8Å; K421-Q426 VanDerWaalsContact CD-OE1 3.24Å; K421-Q426 WeakPolarHBondContact O-CA 3.44Å; K421-Q426 WeakPolarHBondContact O-CB 3.47Å; K421-Q426 PolarHBondContact O-N 3.18Å; K421-D429 VanDerWaalsContact CE-CG 3.47Å; K421-D429 WeakPolarHBondContact CE-OD2 3.44Å; K421-D429 IonicContact NZ-OD2 3.67Å; K421-D429 PolarHBondContact NZ-OD2 3.03Å; K421-D429 VanDerWaalsContact NZ-OD2 3.11Å
422	L	96.6	Very high	97.6	Very high	36 Å²	36	61.6 Å²	61.6	19%	0.188	30%	0.3	C	S	.	.	H	α-helix	trans	-63.9	-38.7	-179	-67.3	172.2	0	0	0	112.7	F391 T418 I419 K424 N425 P428	F391-L422 HydrophobicContact CE1-CD1 3.46Å; F391-L422 VanDerWaalsContact CE1-CD1 3.46Å; F391-L422 HydrophobicContact CZ-CD1 3.51Å; T418-L422 HydrophobicContact CG2-CD1 3.89Å; T418-L422 WeakPolarHBondContact O-CG 3.36Å; T418-L422 PolarHBondContact O-N 3.44Å; I419-L422 PolarHBondContact O-N 2.82Å; L422-K424 PolarHBondContact O-N 2.93Å; L422-K424 VanDerWaalsContact O-N 3.11Å; L422-N425 PolarHBondContact O-N 3.05Å; L422-P428 HydrophobicContact CD2-CG 4.36Å; L422-P428 HydrophobicContact CG-CG 4.45Å
423	L	95.3	Very high	97.6	Very high	45 Å²	45	65.1 Å²	65.1	24%	0.236	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.6	173.2	-73.5	170	0	0	0	113.6	M124 L125 Y199 I419 K421	M124-L423 HydrophobicContact CE-CD1 3.57Å; L125-L423 HydrophobicContact CD2-CD1 3.72Å; L125-L423 HydrophobicContact CD2-CD2 4.26Å; Y199-L423 HydrophobicContact CD2-CD2 4.14Å; Y199-L423 HydrophobicContact CE2-CD2 3.42Å; Y199-L423 VanDerWaalsContact CE2-CD2 3.42Å; I419-L423 HydrophobicContact CG2-CD1 3.78Å; I419-L423 HydrophobicContact CG2-CG 4.1Å; I419-L423 WeakPolarHBondContact O-CB 3.34Å; I419-L423 VanDerWaalsContact O-CG 3.3Å; I419-L423 WeakPolarHBondContact O-CG 3.33Å; I419-L423 PolarHBondContact O-N 3.12Å; K421-L423 PolarHBondContact O-N 3.44Å
424	K	96.6	Very high	97.6	Very high	149 Å²	149	63.4 Å²	63.4	65%	0.648	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	12.2	175.8	-63.1	179.7	-179.6	-174.2	0	112.2	G420 K421 L422 Q426	G420-K424 WeakPolarHBondContact O-CG 3.18Å; K421-K424 CarbonylContact O-C 3.56Å; K421-K424 WeakPolarHBondContact O-CA 3.36Å; K421-K424 PolarHBondContact O-N 3.11Å; L422-K424 PolarHBondContact O-N 2.93Å; L422-K424 VanDerWaalsContact O-N 3.11Å; K424-Q426 HydrophobicContact CB-CG 4.09Å; K424-Q426 PolarHBondContact O-N 2.65Å
425	N	96.3	Very high	97.6	Very high	159 Å²	159	63 Å²	63	85%	0.85	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	32.8	-172.6	-59.2	-40.5	0	0	0	113.2	K421 L422	K421-N425 PolarHBondContact O-N 3.48Å; L422-N425 PolarHBondContact O-N 3.05Å
426	Q	97.4	Very high	97.6	Very high	90 Å²	90	63 Å²	63	42%	0.421	30%	0.302	S	S	.	.			trans	-106.1	149.4	176.8	-62.1	-179.9	6	0	0	110.8	K421 K424	K421-Q426 CarbonylContact C-O 3.57Å; K421-Q426 VanDerWaalsContact C-O 3.29Å; K421-Q426 HydrophobicContact CB-CB 4.2Å; K421-Q426 HydrophobicContact CD-CB 3.8Å; K421-Q426 VanDerWaalsContact CD-OE1 3.24Å; K421-Q426 WeakPolarHBondContact O-CA 3.44Å; K421-Q426 WeakPolarHBondContact O-CB 3.47Å; K421-Q426 PolarHBondContact O-N 3.18Å; K424-Q426 HydrophobicContact CB-CG 4.09Å; K424-Q426 PolarHBondContact O-N 2.65Å
427	K	95.6	Very high	97.6	Very high	183 Å²	183	61.5 Å²	61.5	80%	0.796	30%	0.295	S	S	*	.			trans	-68.4	143.4	173.4	-66.2	-176	179.3	-179.9	0	111	D429	K427-D429 PolarHBondContact O-N 3.06Å
428	P	96.8	Very high	97.6	Very high	39 Å²	39	57 Å²	57	25%	0.253	28%	0.278	S	S	.	.			trans	-56.7	134.9	169.5	-24.6	35.1	0	0	0	111.2	T381 T418 L422	T381-P428 HydrophobicContact CG2-CB 3.78Å; T381-P428 HydrophobicContact CG2-CG 4.16Å; T418-P428 HydrophobicContact CG2-CB 4.32Å; T418-P428 HydrophobicContact CG2-CG 3.9Å; L422-P428 HydrophobicContact CD2-CG 4.36Å; L422-P428 HydrophobicContact CG-CG 4.45Å
429	D	96.6	Very high	97.5	Very high	75 Å²	75	58.3 Å²	58.3	40%	0.401	29%	0.287	S	S	.	.			trans	-124.7	8.2	-173.1	64.8	-12.2	0	0	0	113	R417 K421 K427	R417-D429 IonicContact CZ-OD1 3.11Å; R417-D429 IonicContact CZ-OD2 3.48Å; R417-D429 IonicContact NE-OD1 3.43Å; R417-D429 PolarHBondContact NE-OD1 2.95Å; R417-D429 IonicContact NE-OD2 3.56Å; R417-D429 VanDerWaalsContact NH2-CG 3.31Å; R417-D429 IonicContact NH2-OD1 2.71Å; R417-D429 PolarHBondContact NH2-OD1 3.06Å; R417-D429 IonicContact NH2-OD2 3.11Å; R417-D429 PolarHBondContact NH2-OD2 2.93Å; K421-D429 VanDerWaalsContact CE-CG 3.47Å; K421-D429 WeakPolarHBondContact CE-OD2 3.44Å; K421-D429 IonicContact NZ-OD2 3.67Å; K421-D429 PolarHBondContact NZ-OD2 3.03Å; K421-D429 VanDerWaalsContact NZ-OD2 3.11Å; K427-D429 PolarHBondContact O-N 3.06Å
430	K	97.1	Very high	97.5	Very high	109 Å²	109	58.2 Å²	58.2	47%	0.474	29%	0.287	S	S	.	.			trans	-132	146	168.9	-77.5	-154.5	178.2	-163.1	0	111	I414	I414-K430 HydrophobicContact CD1-CB 4.1Å
431	K	98.3	Very high	97.5	Very high	135 Å²	135	57.3 Å²	57.3	59%	0.587	28%	0.277	S	S	*	.			trans	-116.3	135.4	-175.5	-60.4	175.8	166.8	-136.1	0	108.9	E380	E380-K431 HydrophobicContact CB-CB 3.95Å; E380-K431 HydrophobicContact CB-CG 4.04Å; E380-K431 HydrophobicContact CG-CB 4.28Å; E380-K431 HydrophobicContact CG-CD 4.5Å; E380-K431 HydrophobicContact CG-CG 4.38Å; E380-K431 CarbonylContact O-C 3.55Å; E380-K431 WeakPolarHBondContact OE1-CD 3.2Å; E380-K431 IonicContact OE1-NZ 3.92Å; E380-K431 PolarHBondContact OE1-NZ 3.17Å; E380-K431 WeakPolarHBondContact OE2-CD 3.32Å; E380-K431 WeakPolarHBondContact OE2-CE 3.45Å; E380-K431 IonicContact OE2-NZ 3.03Å; E380-K431 PolarHBondContact OE2-NZ 2.58Å
432	Y	98.6	Very high	97.5	Very high	5 Å²	5	55 Å²	55	2%	0.02	27%	0.267	C	S	.	.			trans	-71.7	128.4	165.7	-179.7	-131.5	0	0	0	109.1	E380 L382 L399 T401 A410 Q411 I414 G434 Y435 Y454	E380-Y432 WeakPolarHBondContact O-CB 3.19Å; E380-Y432 PolarHBondContact O-N 2.76Å; L382-Y432 HydrophobicContact CD1-CD1 4.1Å; L382-Y432 HydrophobicContact CD1-CG 4.2Å; L399-Y432 HydrophobicContact CD1-CD1 4.41Å; L399-Y432 HydrophobicContact CD1-CE1 4.22Å; T401-Y432 HydrophobicContact CG2-CE1 4.13Å; A410-Y432 HydrophobicContact CB-CE2 3.91Å; Q411-Y432 HydrophobicContact CG-CD1 4.2Å; Q411-Y432 HydrophobicContact CG-CD2 4.4Å; Q411-Y432 HydrophobicContact CG-CE1 3.76Å; Q411-Y432 HydrophobicContact CG-CE2 3.95Å; I414-Y432 HydrophobicContact CG1-CD2 4.32Å; Y432-G434 VanDerWaalsContact C-N 3.31Å; Y432-G434 VanDerWaalsContact CZ-CA 3.45Å; Y432-Y435 PolarHBondContact OH-O 2.58Å; Y432-Y454 HydrophobicContact CD1-CE2 4.01Å; Y432-Y454 AromaticContact CD1-CZ 3.75Å; Y432-Y454 WeakPolarHBondContact CD1-OH 3.41Å; Y432-Y454 HydrophobicContact CE1-CE1 4.38Å; Y432-Y454 HydrophobicContact CE1-CE2 4.37Å; Y432-Y454 AromaticContact CE1-CZ 3.8Å; Y432-Y454 WeakPolarHBondContact CE1-OH 3.26Å
433	D	98.1	Very high	97.6	Very high	75 Å²	75	54 Å²	54	40%	0.401	26%	0.263	S	S	.	.			trans	-87.8	-1.2	-178.2	57	0.5	0	0	0	112.8	Y435 D453 Y454	D433-Y435 VanDerWaalsContact C-N 3.34Å; D433-Y435 WeakPolarHBondContact OD1-CB 3.34Å; D433-Y435 PolarHBondContact OD1-N 3.08Å; D433-D453 WeakPolarHBondContact O-CB 3.23Å; D433-Y454 WeakPolarHBondContact O-CD2 3.42Å; D433-Y454 PolarHBondContact O-N 3.36Å
434	G	98.3	Very high	97.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.263	C	S	.	.			trans	84.6	8.3	-174.7	0	0	0	0	0	113.8	T401 Y432 T436 Y454	T401-G434 WeakPolarHBondContact CB-O 3.32Å; T401-G434 PolarHBondContact OG1-O 3.45Å; Y432-G434 VanDerWaalsContact C-N 3.31Å; Y432-G434 VanDerWaalsContact CZ-CA 3.45Å; G434-T436 PolarHBondContact O-N 3.48Å; G434-Y454 VanDerWaalsContact CA-CD2 3.44Å; G434-Y454 VanDerWaalsContact CA-CE2 3.5Å; G434-Y454 VanDerWaalsContact CA-CG 3.46Å; G434-Y454 VanDerWaalsContact N-CD2 3.32Å; G434-Y454 VanDerWaalsContact N-CE2 3.34Å
435	Y	98.7	Very high	97.8	Very high	12 Å²	12	50.5 Å²	50.5	5%	0.047	25%	0.247	C	C	.	.			trans	-50.1	126.1	-177.7	170	-91.2	0	0	0	112.5	A406 A407 A410 Y432 D433 E451 F452 L459 P497 R501	A406-Y435 HydrophobicContact CB-CE1 4.33Å; A407-Y435 WeakPolarHBondContact CA-O 3.28Å; A410-Y435 HydrophobicContact CB-CD1 3.61Å; A410-Y435 HydrophobicContact CB-CE1 4.46Å; A410-Y435 HydrophobicContact CB-CG 4.4Å; Y432-Y435 PolarHBondContact OH-O 2.58Å; D433-Y435 VanDerWaalsContact C-N 3.34Å; D433-Y435 WeakPolarHBondContact OD1-CB 3.34Å; D433-Y435 PolarHBondContact OD1-N 3.08Å; Y435-E451 HydrophobicContact CE2-CB 4.15Å; Y435-E451 HydrophobicContact CE2-CG 4.28Å; Y435-E451 WeakPolarHBondContact CE2-OE1 3.3Å; Y435-E451 PolarHBondContact OH-OE1 2.82Å; Y435-F452 WeakPolarHBondContact CA-O 3.37Å; Y435-L459 HydrophobicContact CD2-CD2 4.14Å; Y435-P497 VanDerWaalsContact CE1-CD 3.47Å; Y435-P497 HydrophobicContact CE1-CG 4.04Å; Y435-P497 HydrophobicContact CE2-CG 4.08Å; Y435-P497 VanDerWaalsContact CZ-CD 3.48Å; Y435-P497 VanDerWaalsContact CZ-CG 3.47Å; Y435-P497 WeakPolarHBondContact OH-CD 3.5Å; Y435-P497 WeakPolarHBondContact OH-CG 3.44Å; Y435-R501 VanDerWaalsContact CD2-NH2 3.26Å
436	T	98.6	Very high	97.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	163.9	172.5	-167.2	0	0	0	0	109.9	T401 A402 T404 G434 E451 F452	T401-T436 WeakPolarHBondContact OG1-CG2 3.49Å; A402-T436 HydrophobicContact CB-CG2 3.8Å; A402-T436 PolarHBondContact O-OG1 2.87Å; T404-T436 WeakPolarHBondContact CG2-OG1 3.3Å; T404-T436 PolarHBondContact OG1-OG1 2.94Å; G434-T436 PolarHBondContact O-N 3.48Å; T436-E451 WeakPolarHBondContact O-CA 3.23Å; T436-F452 HydrophobicContact CG2-CD1 4.37Å; T436-F452 HydrophobicContact CG2-CD2 3.61Å; T436-F452 HydrophobicContact CG2-CE1 4.01Å; T436-F452 HydrophobicContact CG2-CE2 3.19Å; T436-F452 HydrophobicContact CG2-CG 4.19Å; T436-F452 HydrophobicContact CG2-CZ 3.42Å; T436-F452 VanDerWaalsContact CG2-CZ 3.42Å; T436-F452 PolarHBondContact N-O 3.11Å; T436-F452 PolarHBondContact O-N 2.7Å
437	S	98.4	Very high	97.9	Very high	10 Å²	10	39.4 Å²	39.4	7%	0.07	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	140.2	177.4	-177.9	0	0	0	0	111.6	L449 A450	S437-L449 WeakPolarHBondContact OG-CD1 3.46Å; S437-A450 CarbonylContact C-O 3.6Å; S437-A450 VanDerWaalsContact CA-O 3.24Å; S437-A450 WeakPolarHBondContact CA-O 3.44Å; S437-A450 PolarHBondContact OG-O 3.24Å; S437-A450 VanDerWaalsContact OG-O 3.08Å
438	C	97.9	Very high	98.1	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.027	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	99.3	172.6	-166	0	0	0	0	109.5	K266 F296 L440 A450	K266-C438 PolarHBondContact NZ-SG 3.16Å; F296-C438 HydrophobicContact CE2-CB 4.48Å; F296-C438 HydrophobicContact CZ-CB 4.16Å; C438-L440 PolarHBondContact O-N 3.4Å; C438-A450 HydrophobicContact CB-CB 4.34Å; C438-A450 PolarHBondContact N-O 3.08Å; C438-A450 PolarHBondContact O-N 3.44Å; C438-A450 VanDerWaalsContact O-N 3.1Å
439	P	97.9	Very high	98.2	Very high	30 Å²	30	29.1 Å²	29.1	20%	0.195	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	96.1	170.5	28.3	-32.7	0	0	0	108.7	K266 V441 V447 L449 K477	K266-P439 WeakPolarHBondContact CD-O 3.41Å; K266-P439 WeakPolarHBondContact CE-O 3.06Å; K266-P439 PolarHBondContact NZ-O 2.95Å; P439-V441 PolarHBondContact O-N 2.94Å; P439-V441 VanDerWaalsContact O-N 3.14Å; P439-V447 HydrophobicContact CB-CG1 3.87Å; P439-L449 HydrophobicContact CB-CD1 3.94Å; P439-K477 HydrophobicContact CB-CB 4.04Å; P439-K477 HydrophobicContact CB-CG 3.85Å; P439-K477 HydrophobicContact CG-CB 4.45Å; P439-K477 HydrophobicContact CG-CG 3.85Å
440	L	98.5	Very high	98.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	94.7	179.4	-64	153.2	0	0	0	108	Q265 F296 L305 C438 T442 V447 V448 A450	Q265-L440 HydrophobicContact CG-CD2 4.49Å; F296-L440 HydrophobicContact CD2-CD2 4.35Å; F296-L440 HydrophobicContact CE2-CD1 4.26Å; F296-L440 HydrophobicContact CE2-CD2 4.06Å; F296-L440 HydrophobicContact CZ-CD1 4.26Å; L305-L440 HydrophobicContact CD1-CD1 3.96Å; L305-L440 HydrophobicContact CD2-CD1 4.3Å; L305-L440 HydrophobicContact CG-CD1 4.49Å; C438-L440 PolarHBondContact O-N 3.4Å; L440-T442 PolarHBondContact O-N 3.43Å; L440-T442 VanDerWaalsContact O-N 3.17Å; L440-V447 CarbonylContact O-C 3.48Å; L440-V447 VanDerWaalsContact O-CA 3.26Å; L440-V447 WeakPolarHBondContact O-CA 3.18Å; L440-V448 HydrophobicContact CB-CB 4.14Å; L440-V448 WeakPolarHBondContact CB-O 3.33Å; L440-V448 HydrophobicContact CD1-CB 4.41Å; L440-V448 HydrophobicContact CD1-CG1 4.14Å; L440-V448 PolarHBondContact N-O 2.86Å; L440-V448 PolarHBondContact O-N 3.36Å; L440-A450 HydrophobicContact CD1-CB 3.94Å
441	V	98.5	Very high	98.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	111.2	172.8	-173.8	0	0	0	0	108.3	L147 K266 L270 P439 S443 V447 Y474 K477	L147-V441 HydrophobicContact CD2-CG1 4.22Å; L147-V441 HydrophobicContact CD2-CG2 4.45Å; K266-V441 HydrophobicContact CB-CB 4.4Å; K266-V441 HydrophobicContact CD-CB 4.47Å; K266-V441 HydrophobicContact CD-CG2 4.37Å; K266-V441 HydrophobicContact CG-CB 4.31Å; L270-V441 HydrophobicContact CD1-CB 4.34Å; L270-V441 HydrophobicContact CD1-CG1 3.87Å; L270-V441 HydrophobicContact CD2-CG1 3.77Å; L270-V441 HydrophobicContact CG-CG1 3.94Å; P439-V441 PolarHBondContact O-N 2.94Å; P439-V441 VanDerWaalsContact O-N 3.14Å; V441-S443 WeakPolarHBondContact CG1-O 3.26Å; V441-V447 HydrophobicContact CB-CG2 4.29Å; V441-V447 HydrophobicContact CG2-CG2 3.85Å; V441-Y474 HydrophobicContact CG1-CD2 4.21Å; V441-Y474 HydrophobicContact CG1-CE2 4.06Å; V441-K477 HydrophobicContact CG2-CD 3.7Å
442	T	98.4	Very high	98.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.			trans	-103.7	-11.8	-177.7	51.4	0	0	0	0	111.6	Y269 L305 I308 R312 L440 T446 V448 E469	Y269-T442 WeakPolarHBondContact CB-O 3.32Å; Y269-T442 HydrophobicContact CD2-CG2 4.14Å; Y269-T442 HydrophobicContact CE2-CG2 4.42Å; L305-T442 HydrophobicContact CD2-CG2 4.3Å; I308-T442 HydrophobicContact CD1-CG2 3.57Å; R312-T442 PolarHBondContact NH1-O 2.97Å; R312-T442 PolarHBondContact NH2-O 3.33Å; L440-T442 PolarHBondContact O-N 3.43Å; L440-T442 VanDerWaalsContact O-N 3.17Å; T442-T446 PolarHBondContact N-O 3.32Å; T442-T446 VanDerWaalsContact N-O 3.08Å; T442-T446 PolarHBondContact OG1-O 2.9Å; T442-T446 PolarHBondContact OG1-OG1 2.79Å; T442-T446 VanDerWaalsContact OG1-OG1 3.06Å; T442-V448 HydrophobicContact CG2-CB 4.49Å; T442-V448 HydrophobicContact CG2-CG2 3.98Å; T442-E469 WeakPolarHBondContact CB-OE1 3.35Å; T442-E469 PolarHBondContact OG1-OE1 3.5Å
443	S	97.9	Very high	98.3	Very high	14 Å²	14	16.1 Å²	16.1	10%	0.098	9%	0.085	C	C	.	.	S	Bend	trans	-159.8	-176.2	168.1	78.3	0	0	0	0	111	V441 N445 T446 Y474	V441-S443 WeakPolarHBondContact CG1-O 3.26Å; S443-N445 PolarHBondContact O-N 3.33Å; S443-N445 VanDerWaalsContact O-N 3.13Å; S443-N445 PolarHBondContact OG-N 2.77Å; S443-N445 VanDerWaalsContact OG-N 3.1Å; S443-N445 PolarHBondContact OG-OD1 2.88Å; S443-T446 WeakPolarHBondContact CB-OG1 3.49Å; S443-T446 PolarHBondContact N-O 3.17Å; S443-T446 PolarHBondContact N-OG1 2.88Å; S443-T446 PolarHBondContact OG-N 3.11Å; S443-T446 PolarHBondContact OG-OG1 3.25Å; S443-Y474 WeakPolarHBondContact O-CE2 3.4Å
444	Y	98.3	Very high	98.2	Very high	59 Å²	59	14.9 Å²	14.9	23%	0.231	8%	0.075	C	C	.	.	S	Bend	trans	-68.3	-1.9	172.8	-73.1	-88.6	0	0	0	114.6	A150 A152 L270 A273 Y474	A150-Y444 HydrophobicContact CB-CE1 4.19Å; A150-Y444 VanDerWaalsContact O-CE1 3.32Å; A150-Y444 WeakPolarHBondContact O-CE1 3.33Å; A150-Y444 PolarHBondContact O-OH 3.17Å; A152-Y444 HydrophobicContact CB-CD1 4.1Å; A152-Y444 HydrophobicContact CB-CE1 4.06Å; L270-Y444 HydrophobicContact CD2-CD1 4.19Å; L270-Y444 HydrophobicContact CD2-CD2 4.08Å; L270-Y444 HydrophobicContact CD2-CE1 4.2Å; L270-Y444 HydrophobicContact CD2-CE2 4.08Å; L270-Y444 HydrophobicContact CD2-CG 4.11Å; L270-Y444 WeakPolarHBondContact O-CE2 3.33Å; A273-Y444 HydrophobicContact CB-CD2 3.88Å; A273-Y444 HydrophobicContact CB-CE2 4.07Å; Y444-Y474 VanDerWaalsContact C-CE2 3.43Å; Y444-Y474 WeakPolarHBondContact O-CE1 3.42Å; Y444-Y474 WeakPolarHBondContact O-CE2 3.44Å; Y444-Y474 PolarHBondContact O-OH 3.02Å
445	N	97.5	Very high	98.1	Very high	61 Å²	61	20.8 Å²	20.8	33%	0.326	11%	0.106	S	C	.	.	S	Bend	trans	-145.1	7	175.5	65.6	9.4	0	0	0	113.9	S443 R471 Y474	S443-N445 PolarHBondContact O-N 3.33Å; S443-N445 VanDerWaalsContact O-N 3.13Å; S443-N445 PolarHBondContact OG-N 2.77Å; S443-N445 VanDerWaalsContact OG-N 3.1Å; S443-N445 PolarHBondContact OG-OD1 2.88Å; N445-R471 WeakPolarHBondContact O-CA 3.46Å; N445-R471 WeakPolarHBondContact O-CG 3.28Å; N445-Y474 WeakPolarHBondContact O-CB 3.18Å
446	T	98.4	Very high	97.8	Very high	17 Å²	17	21.5 Å²	21.5	10%	0.104	12%	0.117	C	C	.	.			trans	-130	145.9	179.1	53	0	0	0	0	112.5	T442 S443 E469 R471	T442-T446 PolarHBondContact N-O 3.32Å; T442-T446 VanDerWaalsContact N-O 3.08Å; T442-T446 PolarHBondContact OG1-O 2.9Å; T442-T446 PolarHBondContact OG1-OG1 2.79Å; T442-T446 VanDerWaalsContact OG1-OG1 3.06Å; S443-T446 WeakPolarHBondContact CB-OG1 3.49Å; S443-T446 PolarHBondContact N-O 3.17Å; S443-T446 PolarHBondContact N-OG1 2.88Å; S443-T446 PolarHBondContact OG-N 3.11Å; S443-T446 PolarHBondContact OG-OG1 3.25Å; T446-E469 HydrophobicContact CG2-CB 4.1Å; T446-E469 PolarHBondContact OG1-OE1 3.05Å; T446-R471 HydrophobicContact CG2-CG 4.35Å
447	V	98.6	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	138.3	171.3	162.2	0	0	0	0	109	P439 L440 V441 L449 R470 M473 Y474 K477	P439-V447 HydrophobicContact CB-CG1 3.87Å; L440-V447 CarbonylContact O-C 3.48Å; L440-V447 VanDerWaalsContact O-CA 3.26Å; L440-V447 WeakPolarHBondContact O-CA 3.18Å; V441-V447 HydrophobicContact CB-CG2 4.29Å; V441-V447 HydrophobicContact CG2-CG2 3.85Å; V447-L449 HydrophobicContact CG1-CB 4.27Å; V447-R470 PolarHBondContact N-O 3.21Å; V447-R470 PolarHBondContact O-N 2.7Å; V447-M473 HydrophobicContact CB-CB 3.78Å; V447-M473 HydrophobicContact CG1-CB 3.81Å; V447-Y474 HydrophobicContact CG2-CD2 4.18Å; V447-K477 HydrophobicContact CG2-CB 4.42Å
448	V	98.6	Very high	97.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	114.7	156.7	173	0	0	0	0	107.2	Y301 T304 L440 T442 A450 A467 E469	Y301-V448 HydrophobicContact CD1-CG1 4.14Å; T304-V448 HydrophobicContact CG2-CG2 4.35Å; L440-V448 HydrophobicContact CB-CB 4.14Å; L440-V448 WeakPolarHBondContact CB-O 3.33Å; L440-V448 HydrophobicContact CD1-CB 4.41Å; L440-V448 HydrophobicContact CD1-CG1 4.14Å; L440-V448 PolarHBondContact N-O 2.86Å; L440-V448 PolarHBondContact O-N 3.36Å; T442-V448 HydrophobicContact CG2-CB 4.49Å; T442-V448 HydrophobicContact CG2-CG2 3.98Å; V448-A450 PolarHBondContact O-N 2.89Å; V448-A467 VanDerWaalsContact CG1-O 3.32Å; V448-A467 WeakPolarHBondContact CG1-O 3.28Å; V448-A467 VanDerWaalsContact CG2-O 3.28Å; V448-A467 WeakPolarHBondContact CG2-O 3.1Å; V448-E469 HydrophobicContact CG2-CG 3.99Å
449	L	98.5	Very high	97.6	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.026	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	91.6	-175.9	178.9	66.1	0	0	0	109.6	S437 P439 V447 E451 F462 Q466 M473 M476	S437-L449 WeakPolarHBondContact OG-CD1 3.46Å; P439-L449 HydrophobicContact CB-CD1 3.94Å; V447-L449 HydrophobicContact CG1-CB 4.27Å; L449-E451 HydrophobicContact CG-CG 4.26Å; L449-F462 HydrophobicContact CD2-CD2 4.19Å; L449-F462 HydrophobicContact CD2-CE2 4.08Å; L449-Q466 HydrophobicContact CB-CB 4.18Å; L449-Q466 PolarHBondContact N-O 2.97Å; L449-Q466 VanDerWaalsContact N-O 3.08Å; L449-Q466 VanDerWaalsContact O-CB 3.23Å; L449-Q466 WeakPolarHBondContact O-CB 3.15Å; L449-Q466 PolarHBondContact O-NE2 3Å; L449-M473 HydrophobicContact CB-CB 4.27Å; L449-M473 HydrophobicContact CB-CG 4.04Å; L449-M473 HydrophobicContact CB-SD 3.98Å; L449-M473 HydrophobicContact CD2-SD 3.47Å; L449-M473 WeakPolarHBondContact CD2-SD 3.32Å; L449-M473 HydrophobicContact CG-SD 4.37Å; L449-M476 HydrophobicContact CD1-CE 3.99Å; L449-M476 HydrophobicContact CD2-CE 3.59Å; L449-M476 HydrophobicContact CG-CE 4.42Å
450	A	98.6	Very high	97.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	125.6	175.1	0	0	0	0	0	110.6	F296 Y301 S437 C438 L440 V448 F452	F296-A450 HydrophobicContact CE1-CB 3.92Å; F296-A450 HydrophobicContact CZ-CB 3.95Å; Y301-A450 HydrophobicContact CD1-CB 4Å; Y301-A450 HydrophobicContact CD2-CB 3.45Å; Y301-A450 VanDerWaalsContact CD2-CB 3.45Å; Y301-A450 HydrophobicContact CE1-CB 4.17Å; Y301-A450 HydrophobicContact CE2-CB 3.66Å; Y301-A450 HydrophobicContact CG-CB 3.66Å; S437-A450 CarbonylContact C-O 3.6Å; S437-A450 VanDerWaalsContact CA-O 3.24Å; S437-A450 WeakPolarHBondContact CA-O 3.44Å; S437-A450 PolarHBondContact OG-O 3.24Å; S437-A450 VanDerWaalsContact OG-O 3.08Å; C438-A450 HydrophobicContact CB-CB 4.34Å; C438-A450 PolarHBondContact N-O 3.08Å; C438-A450 PolarHBondContact O-N 3.44Å; C438-A450 VanDerWaalsContact O-N 3.1Å; L440-A450 HydrophobicContact CD1-CB 3.94Å; V448-A450 PolarHBondContact O-N 2.89Å; A450-F452 HydrophobicContact CB-CE1 4.44Å
451	E	98.7	Very high	97.6	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.019	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	136	170.6	-65.6	-176.4	93.7	0	0	108.9	Y301 Y435 T436 L449 P458 L459 T461 Q466 R501	Y301-E451 PolarHBondContact OH-N 3.27Å; Y301-E451 VanDerWaalsContact OH-N 3.11Å; Y301-E451 PolarHBondContact OH-O 2.8Å; Y435-E451 HydrophobicContact CE2-CB 4.15Å; Y435-E451 HydrophobicContact CE2-CG 4.28Å; Y435-E451 WeakPolarHBondContact CE2-OE1 3.3Å; Y435-E451 PolarHBondContact OH-OE1 2.82Å; T436-E451 WeakPolarHBondContact O-CA 3.23Å; L449-E451 HydrophobicContact CG-CG 4.26Å; E451-P458 CarbonylContact O-C 3.57Å; E451-P458 WeakPolarHBondContact O-CA 3.27Å; E451-L459 WeakPolarHBondContact CB-O 3.19Å; E451-L459 PolarHBondContact O-N 2.87Å; E451-T461 VanDerWaalsContact CD-OG1 3.3Å; E451-T461 PolarHBondContact OE1-OG1 2.83Å; E451-T461 WeakPolarHBondContact OE2-CB 3.32Å; E451-T461 PolarHBondContact OE2-N 2.92Å; E451-T461 PolarHBondContact OE2-OG1 3.39Å; E451-Q466 PolarHBondContact OE2-NE2 2.82Å; E451-Q466 PolarHBondContact OE2-OE1 2.79Å; E451-R501 IonicContact OE1-NH2 2.97Å
452	F	98.4	Very high	97.5	Very high	20 Å²	20	33.6 Å²	33.6	9%	0.088	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	168.9	-175.6	53.4	-87.7	0	0	0	112.2	F296 I298 Y301 A402 Y435 T436 A450 Q457	F296-F452 HydrophobicContact CE1-CE1 4.07Å; F296-F452 AromaticContact CZ-CE1 3.93Å; F296-F452 HydrophobicContact CZ-CE1 3.93Å; F296-F452 HydrophobicContact CZ-CZ 4.43Å; I298-F452 HydrophobicContact CD1-CB 4.26Å; I298-F452 HydrophobicContact CD1-CD1 4.43Å; I298-F452 HydrophobicContact CD1-CD2 3.85Å; I298-F452 HydrophobicContact CD1-CE2 4.25Å; I298-F452 HydrophobicContact CD1-CG 3.94Å; I298-F452 HydrophobicContact CG1-CB 4.13Å; I298-F452 HydrophobicContact CG1-CD1 3.69Å; I298-F452 HydrophobicContact CG1-CD2 4.01Å; I298-F452 HydrophobicContact CG1-CE1 4.03Å; I298-F452 HydrophobicContact CG1-CE2 4.3Å; I298-F452 HydrophobicContact CG1-CG 3.68Å; I298-F452 HydrophobicContact CG1-CZ 4.31Å; Y301-F452 HydrophobicContact CE2-CD1 4.37Å; A402-F452 HydrophobicContact CB-CE2 4.22Å; A402-F452 HydrophobicContact CB-CZ 3.97Å; Y435-F452 WeakPolarHBondContact CA-O 3.37Å; T436-F452 HydrophobicContact CG2-CD1 4.37Å; T436-F452 HydrophobicContact CG2-CD2 3.61Å; T436-F452 HydrophobicContact CG2-CE1 4.01Å; T436-F452 HydrophobicContact CG2-CE2 3.19Å; T436-F452 HydrophobicContact CG2-CG 4.19Å; T436-F452 HydrophobicContact CG2-CZ 3.42Å; T436-F452 VanDerWaalsContact CG2-CZ 3.42Å; T436-F452 PolarHBondContact N-O 3.11Å; T436-F452 PolarHBondContact O-N 2.7Å; A450-F452 HydrophobicContact CB-CE1 4.44Å; F452-Q457 WeakPolarHBondContact CA-O 3.34Å; F452-Q457 WeakPolarHBondContact CB-O 3.27Å
453	D	97.9	Very high	97.3	Very high	27 Å²	27	36.4 Å²	36.4	14%	0.144	19%	0.193	C	C	.	.			trans	-114.4	-170.8	-175.9	71.9	2.8	0	0	0	112.9	D433 N455 G456 Q457 L459	D433-D453 WeakPolarHBondContact O-CB 3.23Å; D453-N455 PolarHBondContact O-N 3.2Å; D453-N455 WeakPolarHBondContact OD1-CA 3.43Å; D453-N455 WeakPolarHBondContact OD1-CB 3.39Å; D453-N455 PolarHBondContact OD1-N 3.49Å; D453-G456 PolarHBondContact O-N 3.04Å; D453-G456 PolarHBondContact OD1-N 3.27Å; D453-Q457 PolarHBondContact N-O 2.85Å; D453-Q457 PolarHBondContact OD1-N 2.83Å; D453-L459 HydrophobicContact CB-CD2 4.08Å
454	Y	96.3	Very high	97.2	Very high	50 Å²	50	38.6 Å²	38.6	20%	0.196	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.3	176.9	-81.1	-42.4	0	0	0	114.5	K379 P400 T401 Y432 D433 G434 G456	K379-Y454 HydrophobicContact CB-CE2 4.42Å; K379-Y454 PolarHBondContact O-OH 2.82Å; P400-Y454 HydrophobicContact CG-CD1 3.91Å; P400-Y454 HydrophobicContact CG-CE1 3.66Å; P400-Y454 WeakPolarHBondContact O-CD1 3.41Å; T401-Y454 HydrophobicContact CG2-CE1 3.97Å; Y432-Y454 HydrophobicContact CD1-CE2 4.01Å; Y432-Y454 AromaticContact CD1-CZ 3.75Å; Y432-Y454 WeakPolarHBondContact CD1-OH 3.41Å; Y432-Y454 HydrophobicContact CE1-CE1 4.38Å; Y432-Y454 HydrophobicContact CE1-CE2 4.37Å; Y432-Y454 AromaticContact CE1-CZ 3.8Å; Y432-Y454 WeakPolarHBondContact CE1-OH 3.26Å; D433-Y454 WeakPolarHBondContact O-CD2 3.42Å; D433-Y454 PolarHBondContact O-N 3.36Å; G434-Y454 VanDerWaalsContact CA-CD2 3.44Å; G434-Y454 VanDerWaalsContact CA-CE2 3.5Å; G434-Y454 VanDerWaalsContact CA-CG 3.46Å; G434-Y454 VanDerWaalsContact N-CD2 3.32Å; G434-Y454 VanDerWaalsContact N-CE2 3.34Å; Y454-G456 PolarHBondContact O-N 2.88Å
455	N	95	Very high	97.1	Very high	123 Å²	123	39 Å²	39	66%	0.658	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	6.5	-176.8	-56.9	-47.4	0	0	0	112	D453 Q457	D453-N455 PolarHBondContact O-N 3.2Å; D453-N455 WeakPolarHBondContact OD1-CA 3.43Å; D453-N455 WeakPolarHBondContact OD1-CB 3.39Å; D453-N455 PolarHBondContact OD1-N 3.49Å; N455-Q457 HydrophobicContact CB-CG 3.98Å; N455-Q457 PolarHBondContact O-N 3.43Å; N455-Q457 PolarHBondContact O-NE2 3.01Å
456	G	92.8	Very high	97.2	Very high	27 Å²	27	36.1 Å²	36.1	28%	0.278	19%	0.194	S	C	.	.	S	Bend	trans	65.1	21.7	-174	0	0	0	0	0	112.8	I298 D453 Y454	I298-G456 WeakPolarHBondContact CD1-O 3.27Å; D453-G456 PolarHBondContact O-N 3.04Å; D453-G456 PolarHBondContact OD1-N 3.27Å; Y454-G456 PolarHBondContact O-N 2.88Å
457	Q	95.6	Very high	97.1	Very high	115 Å²	115	35.4 Å²	35.4	54%	0.537	19%	0.189	S	C	.	.			trans	-92.3	137.9	-180	-62.4	-53.1	-48.1	0	0	110.7	F452 D453 N455 L459	F452-Q457 WeakPolarHBondContact CA-O 3.34Å; F452-Q457 WeakPolarHBondContact CB-O 3.27Å; D453-Q457 PolarHBondContact N-O 2.85Å; D453-Q457 PolarHBondContact OD1-N 2.83Å; N455-Q457 HydrophobicContact CB-CG 3.98Å; N455-Q457 PolarHBondContact O-N 3.43Å; N455-Q457 PolarHBondContact O-NE2 3.01Å; Q457-L459 PolarHBondContact O-N 3.04Å
458	P	97.6	Very high	97.1	Very high	50 Å²	50	41.4 Å²	41.4	33%	0.325	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-55.2	129	172.2	-26	35.2	0	0	0	111.9	I298 K300 E451	I298-P458 HydrophobicContact CG2-CG 4.17Å; K300-P458 HydrophobicContact CB-CG 4.01Å; K300-P458 HydrophobicContact CD-CB 4.03Å; K300-P458 HydrophobicContact CD-CG 3.76Å; E451-P458 CarbonylContact O-C 3.57Å; E451-P458 WeakPolarHBondContact O-CA 3.27Å
459	L	97.7	Very high	97.1	Very high	41 Å²	41	44.8 Å²	44.8	22%	0.215	23%	0.231	C	C	.	.			trans	-130.3	57.6	-179.1	-167.2	60.2	0	0	0	110.2	Y435 E451 D453 Q457 R501	Y435-L459 HydrophobicContact CD2-CD2 4.14Å; E451-L459 WeakPolarHBondContact CB-O 3.19Å; E451-L459 PolarHBondContact O-N 2.87Å; D453-L459 HydrophobicContact CB-CD2 4.08Å; Q457-L459 PolarHBondContact O-N 3.04Å; L459-R501 PolarHBondContact O-NE 3.43Å; L459-R501 VanDerWaalsContact O-NE 3.15Å; L459-R501 PolarHBondContact O-NH2 3.05Å
460	E	98.1	Very high	97.1	Very high	26 Å²	26	47.8 Å²	47.8	12%	0.121	24%	0.242	C	C	.	.			trans	-64.1	139.7	-174	-66.3	-175.9	171	0	0	112.1	K300 Y301 Q466 R501	K300-E460 WeakPolarHBondContact CE-OE1 3.31Å; K300-E460 IonicContact NZ-OE1 3Å; K300-E460 PolarHBondContact NZ-OE1 2.74Å; K300-E460 IonicContact NZ-OE2 2.75Å; K300-E460 PolarHBondContact NZ-OE2 3.18Å; Y301-E460 WeakPolarHBondContact CE1-OE1 3.3Å; Y301-E460 VanDerWaalsContact OH-CG 3.32Å; Y301-E460 WeakPolarHBondContact OH-CG 3.2Å; Y301-E460 PolarHBondContact OH-OE1 3.4Å; E460-Q466 HydrophobicContact CB-CG 3.99Å; E460-Q466 VanDerWaalsContact CD-CB 3.5Å; E460-Q466 HydrophobicContact CG-CB 4.03Å; E460-Q466 HydrophobicContact CG-CG 3.88Å; E460-Q466 WeakPolarHBondContact OE1-CB 3.33Å; E460-Q466 PolarHBondContact OE1-N 2.62Å; E460-Q466 PolarHBondContact OE2-N 3.03Å; E460-R501 WeakPolarHBondContact O-CD 3.31Å; E460-R501 WeakPolarHBondContact O-CG 3.48Å; E460-R501 PolarHBondContact O-NE 3.29Å
461	T	97.6	Very high	97	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.043	27%	0.272	C	S	.	.	S	Bend	trans	-83.2	-41.2	-179.4	-67.7	0	0	0	0	112	E451 P497 R501 L504 H505	E451-T461 VanDerWaalsContact CD-OG1 3.3Å; E451-T461 PolarHBondContact OE1-OG1 2.83Å; E451-T461 WeakPolarHBondContact OE2-CB 3.32Å; E451-T461 PolarHBondContact OE2-N 2.92Å; E451-T461 PolarHBondContact OE2-OG1 3.39Å; T461-P497 HydrophobicContact CG2-CB 3.75Å; T461-P497 HydrophobicContact CG2-CG 4.48Å; T461-P497 WeakPolarHBondContact OG1-CB 3.27Å; T461-P497 VanDerWaalsContact OG1-CG 3.23Å; T461-P497 WeakPolarHBondContact OG1-CG 3.45Å; T461-R501 HydrophobicContact CG2-CB 4.49Å; T461-L504 HydrophobicContact CG2-CD1 4.42Å; T461-H505 PolarHBondContact O-CE1 2.89Å
462	F	96.8	Very high	97	Very high	60 Å²	60	61 Å²	61	26%	0.263	30%	0.3	S	S	.	.	S	Bend	trans	-91.1	146.4	-176.3	-61.1	-75.2	0	0	0	111.3	L449 I464 Q466 M473 M476 L504	L449-F462 HydrophobicContact CD2-CD2 4.19Å; L449-F462 HydrophobicContact CD2-CE2 4.08Å; F462-I464 HydrophobicContact CB-CD1 4.27Å; F462-I464 HydrophobicContact CB-CG1 3.83Å; F462-I464 PolarHBondContact O-N 2.86Å; F462-Q466 VanDerWaalsContact CD2-OE1 3.28Å; F462-M473 HydrophobicContact CD2-CE 3.85Å; F462-M473 HydrophobicContact CD2-SD 3.85Å; F462-M473 HydrophobicContact CE2-CE 3.85Å; F462-M473 HydrophobicContact CE2-SD 3.91Å; F462-M473 HydrophobicContact CG-CE 4.44Å; F462-M473 HydrophobicContact CZ-CE 4.42Å; F462-M476 HydrophobicContact CE2-SD 3.72Å; F462-M476 HydrophobicContact CZ-SD 3.84Å; F462-L504 HydrophobicContact CD1-CD1 3.95Å; F462-L504 HydrophobicContact CE1-CD1 4.35Å
463	P	95.3	Very high	96.9	Very high	58 Å²	58	60 Å²	60	38%	0.377	30%	0.296	S	S	.	.	S	Bend	trans	-78.6	43.8	179.8	34.9	-37.3	0	0	0	111.9	M508	P463-M508 HydrophobicContact CB-CE 3.83Å; P463-M508 HydrophobicContact CB-SD 3.28Å; P463-M508 WeakPolarHBondContact CB-SD 3.46Å; P463-M508 HydrophobicContact CG-SD 4.43Å
464	I	95.3	Very high	96.9	Very high	60 Å²	60	59.8 Å²	59.8	31%	0.308	29%	0.293	S	S	.	.	S	Bend	trans	-139.5	148.2	179	63.3	-178.1	0	0	0	107.9	F462 Q466 M473	F462-I464 HydrophobicContact CB-CD1 4.27Å; F462-I464 HydrophobicContact CB-CG1 3.83Å; F462-I464 PolarHBondContact O-N 2.86Å; I464-Q466 WeakPolarHBondContact O-CG 3.46Å; I464-Q466 PolarHBondContact O-N 2.93Å; I464-M473 HydrophobicContact CD1-CE 4.42Å
465	N	96.6	Very high	97	Very high	68 Å²	68	63.6 Å²	63.6	36%	0.364	31%	0.308	S	S	.	.			trans	-62.8	107.9	174.9	-177.9	-2.6	0	0	0	110.4	K300 A467 R470	K300-N465 WeakPolarHBondContact CE-OD1 3.43Å; N465-A467 VanDerWaalsContact C-N 3.31Å; N465-A467 WeakPolarHBondContact OD1-CB 3.42Å; N465-A467 PolarHBondContact OD1-N 3.21Å; N465-R470 VanDerWaalsContact O-CZ 3.32Å; N465-R470 PolarHBondContact O-NE 2.97Å; N465-R470 PolarHBondContact O-NH2 3.25Å
466	Q	98.2	Very high	97.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-7.5	-177.5	-53.8	-176.3	172	0	0	113.5	L449 E451 E460 F462 I464 K468	L449-Q466 HydrophobicContact CB-CB 4.18Å; L449-Q466 PolarHBondContact N-O 2.97Å; L449-Q466 VanDerWaalsContact N-O 3.08Å; L449-Q466 VanDerWaalsContact O-CB 3.23Å; L449-Q466 WeakPolarHBondContact O-CB 3.15Å; L449-Q466 PolarHBondContact O-NE2 3Å; E451-Q466 PolarHBondContact OE2-NE2 2.82Å; E451-Q466 PolarHBondContact OE2-OE1 2.79Å; E460-Q466 HydrophobicContact CB-CG 3.99Å; E460-Q466 VanDerWaalsContact CD-CB 3.5Å; E460-Q466 HydrophobicContact CG-CB 4.03Å; E460-Q466 HydrophobicContact CG-CG 3.88Å; E460-Q466 WeakPolarHBondContact OE1-CB 3.33Å; E460-Q466 PolarHBondContact OE1-N 2.62Å; E460-Q466 PolarHBondContact OE2-N 3.03Å; F462-Q466 VanDerWaalsContact CD2-OE1 3.28Å; I464-Q466 WeakPolarHBondContact O-CG 3.46Å; I464-Q466 PolarHBondContact O-N 2.93Å; Q466-K468 PolarHBondContact O-N 2.91Å
467	A	97.8	Very high	97.3	Very high	2 Å²	2	58 Å²	58	2%	0.017	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-25.4	171.6	0	0	0	0	0	112.5	K300 Y301 T304 V448 N465	K300-A467 HydrophobicContact CD-CB 4.42Å; K300-A467 HydrophobicContact CG-CB 4.01Å; Y301-A467 HydrophobicContact CD1-CB 3.86Å; Y301-A467 HydrophobicContact CE1-CB 4.22Å; T304-A467 WeakPolarHBondContact CG2-O 3.37Å; V448-A467 VanDerWaalsContact CG1-O 3.32Å; V448-A467 WeakPolarHBondContact CG1-O 3.28Å; V448-A467 VanDerWaalsContact CG2-O 3.28Å; V448-A467 WeakPolarHBondContact CG2-O 3.1Å; N465-A467 VanDerWaalsContact C-N 3.31Å; N465-A467 WeakPolarHBondContact OD1-CB 3.42Å; N465-A467 PolarHBondContact OD1-N 3.21Å
468	K	98.1	Very high	97.4	Very high	127 Å²	127	52.6 Å²	52.6	55%	0.552	25%	0.246	S	C	*	.	S	Bend	trans	-72.4	145	175.8	-65.8	-170	174.4	-173.6	0	111.8	Q466 R470	Q466-K468 PolarHBondContact O-N 2.91Å; K468-R470 WeakPolarHBondContact O-CG 3.39Å; K468-R470 PolarHBondContact O-N 3.31Å
469	E	98.3	Very high	97.3	Very high	70 Å²	70	53.7 Å²	53.7	33%	0.327	25%	0.249	S	C	.	.			trans	-60.5	118.5	170.9	-68.7	-161.6	75.3	0	0	111	I308 R312 T442 T446 V448	I308-E469 HydrophobicContact CD1-CG 3.81Å; R312-E469 VanDerWaalsContact NH2-CD 3.29Å; R312-E469 IonicContact NH2-OE1 3.98Å; R312-E469 PolarHBondContact NH2-OE1 3.3Å; R312-E469 IonicContact NH2-OE2 3.41Å; R312-E469 PolarHBondContact NH2-OE2 2.94Å; T442-E469 WeakPolarHBondContact CB-OE1 3.35Å; T442-E469 PolarHBondContact OG1-OE1 3.5Å; T446-E469 HydrophobicContact CG2-CB 4.1Å; T446-E469 PolarHBondContact OG1-OE1 3.05Å; V448-E469 HydrophobicContact CG2-CG 3.99Å
470	R	98.3	Very high	97.3	Very high	68 Å²	68	55.6 Å²	55.6	26%	0.257	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-130.1	134.1	-174.9	-73.1	177.9	-173.4	-75.7	1.5	113.2	V447 N465 K468 M473 Y474	V447-R470 PolarHBondContact N-O 3.21Å; V447-R470 PolarHBondContact O-N 2.7Å; N465-R470 VanDerWaalsContact O-CZ 3.32Å; N465-R470 PolarHBondContact O-NE 2.97Å; N465-R470 PolarHBondContact O-NH2 3.25Å; K468-R470 WeakPolarHBondContact O-CG 3.39Å; K468-R470 PolarHBondContact O-N 3.31Å; R470-M473 HydrophobicContact CB-CB 4.12Å; R470-M473 HydrophobicContact CB-CG 3.67Å; R470-M473 PolarHBondContact O-N 3.47Å; R470-Y474 PolarHBondContact O-N 2.96Å
471	R	97.7	Very high	97.3	Very high	163 Å²	163	56.8 Å²	56.8	62%	0.615	27%	0.269	S	S	*	.	H	α-helix	trans	-66.7	-40.8	173.1	-64.6	-175	174.1	178.2	1.4	113.4	N445 T446 M473 Y474 Y475	N445-R471 WeakPolarHBondContact O-CA 3.46Å; N445-R471 WeakPolarHBondContact O-CG 3.28Å; T446-R471 HydrophobicContact CG2-CG 4.35Å; R471-M473 VanDerWaalsContact C-N 3.27Å; R471-M473 PolarHBondContact O-N 3.07Å; R471-Y474 WeakPolarHBondContact O-CB 3.21Å; R471-Y474 PolarHBondContact O-N 3Å; R471-Y474 VanDerWaalsContact O-N 3.08Å; R471-Y475 VanDerWaalsContact O-CD2 3.27Å; R471-Y475 WeakPolarHBondContact O-CD2 3.33Å; R471-Y475 PolarHBondContact O-N 3.4Å; R471-Y475 VanDerWaalsContact O-N 3.11Å
472	L	97.1	Very high	97.3	Very high	118 Å²	118	57.5 Å²	57.5	62%	0.618	27%	0.273	S	S	*	.	H	α-helix	trans	-57.7	-43.1	177.4	-177.1	63	0	0	0	111.5	Y474 Y475 M476	L472-Y474 VanDerWaalsContact C-N 3.29Å; L472-Y474 PolarHBondContact O-N 2.8Å; L472-Y475 PolarHBondContact O-N 3.15Å; L472-M476 WeakPolarHBondContact O-CB 3.28Å; L472-M476 PolarHBondContact O-N 3.45Å
473	M	97.9	Very high	97.4	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-68.2	-30.5	178.8	-57.4	-60.8	101.3	0	0	112	V447 L449 F462 I464 R470 R471 M476 K477	V447-M473 HydrophobicContact CB-CB 3.78Å; V447-M473 HydrophobicContact CG1-CB 3.81Å; L449-M473 HydrophobicContact CB-CB 4.27Å; L449-M473 HydrophobicContact CB-CG 4.04Å; L449-M473 HydrophobicContact CB-SD 3.98Å; L449-M473 HydrophobicContact CD2-SD 3.47Å; L449-M473 WeakPolarHBondContact CD2-SD 3.32Å; L449-M473 HydrophobicContact CG-SD 4.37Å; F462-M473 HydrophobicContact CD2-CE 3.85Å; F462-M473 HydrophobicContact CD2-SD 3.85Å; F462-M473 HydrophobicContact CE2-CE 3.85Å; F462-M473 HydrophobicContact CE2-SD 3.91Å; F462-M473 HydrophobicContact CG-CE 4.44Å; F462-M473 HydrophobicContact CZ-CE 4.42Å; I464-M473 HydrophobicContact CD1-CE 4.42Å; R470-M473 HydrophobicContact CB-CB 4.12Å; R470-M473 HydrophobicContact CB-CG 3.67Å; R470-M473 PolarHBondContact O-N 3.47Å; R471-M473 VanDerWaalsContact C-N 3.27Å; R471-M473 PolarHBondContact O-N 3.07Å; M473-M476 HydrophobicContact SD-CE 4.43Å; M473-K477 PolarHBondContact O-N 2.9Å
474	Y	98.2	Very high	97.5	Very high	21 Å²	21	59.7 Å²	59.7	8%	0.082	28%	0.28	C	S	.	.	H	α-helix	trans	-63.8	-54.6	172.9	179.2	-85.7	0	0	0	111.5	L147 V441 S443 Y444 N445 V447 R470 R471 L472 M476 K477 A478	L147-Y474 HydrophobicContact CD2-CE2 4.37Å; V441-Y474 HydrophobicContact CG1-CD2 4.21Å; V441-Y474 HydrophobicContact CG1-CE2 4.06Å; S443-Y474 WeakPolarHBondContact O-CE2 3.4Å; Y444-Y474 VanDerWaalsContact C-CE2 3.43Å; Y444-Y474 WeakPolarHBondContact O-CE1 3.42Å; Y444-Y474 WeakPolarHBondContact O-CE2 3.44Å; Y444-Y474 PolarHBondContact O-OH 3.02Å; N445-Y474 WeakPolarHBondContact O-CB 3.18Å; V447-Y474 HydrophobicContact CG2-CD2 4.18Å; R470-Y474 PolarHBondContact O-N 2.96Å; R471-Y474 WeakPolarHBondContact O-CB 3.21Å; R471-Y474 PolarHBondContact O-N 3Å; R471-Y474 VanDerWaalsContact O-N 3.08Å; L472-Y474 VanDerWaalsContact C-N 3.29Å; L472-Y474 PolarHBondContact O-N 2.8Å; Y474-M476 VanDerWaalsContact C-N 3.26Å; Y474-M476 PolarHBondContact O-N 3.16Å; Y474-K477 PolarHBondContact O-N 2.98Å; Y474-K477 VanDerWaalsContact O-N 3.07Å; Y474-A478 HydrophobicContact CD1-CB 4.18Å; Y474-A478 HydrophobicContact CE1-CB 3.8Å; Y474-A478 VanDerWaalsContact O-CB 3.25Å; Y474-A478 WeakPolarHBondContact O-CB 3.33Å; Y474-A478 PolarHBondContact O-N 3.21Å
475	Y	97.3	Very high	97.7	Very high	130 Å²	130	57.3 Å²	57.3	51%	0.51	27%	0.268	S	S	.	.	H	α-helix	trans	-61.5	-37	178.8	-70.1	-63.8	0	0	0	112	R471 L472 K477 A478 D479 V480	R471-Y475 VanDerWaalsContact O-CD2 3.27Å; R471-Y475 WeakPolarHBondContact O-CD2 3.33Å; R471-Y475 PolarHBondContact O-N 3.4Å; R471-Y475 VanDerWaalsContact O-N 3.11Å; L472-Y475 PolarHBondContact O-N 3.15Å; Y475-K477 PolarHBondContact O-N 3.02Å; Y475-A478 PolarHBondContact O-N 3.32Å; Y475-D479 WeakPolarHBondContact CD1-OD2 3.49Å; Y475-D479 WeakPolarHBondContact O-CB 3.21Å; Y475-D479 PolarHBondContact O-N 2.92Å; Y475-V480 PolarHBondContact O-N 3.2Å
476	M	97.6	Very high	97.8	Very high	29 Å²	29	54.9 Å²	54.9	14%	0.143	25%	0.253	C	S	.	.	I	π-helix	trans	-56.7	-51.7	171.8	-172.2	-166.5	69.2	0	0	111	L449 F462 L472 M473 Y474 V480 M481	L449-M476 HydrophobicContact CD1-CE 3.99Å; L449-M476 HydrophobicContact CD2-CE 3.59Å; L449-M476 HydrophobicContact CG-CE 4.42Å; F462-M476 HydrophobicContact CE2-SD 3.72Å; F462-M476 HydrophobicContact CZ-SD 3.84Å; L472-M476 WeakPolarHBondContact O-CB 3.28Å; L472-M476 PolarHBondContact O-N 3.45Å; M473-M476 HydrophobicContact SD-CE 4.43Å; Y474-M476 VanDerWaalsContact C-N 3.26Å; Y474-M476 PolarHBondContact O-N 3.16Å; M476-V480 HydrophobicContact CG-CB 4.42Å; M476-V480 WeakPolarHBondContact O-CB 3.37Å; M476-V480 PolarHBondContact O-N 3.27Å; M476-M481 HydrophobicContact CE-CE 4.4Å; M476-M481 HydrophobicContact CG-CE 3.67Å; M476-M481 HydrophobicContact CG-CG 4.4Å; M476-M481 VanDerWaalsContact O-CG 3.27Å; M476-M481 WeakPolarHBondContact O-CG 3.31Å; M476-M481 PolarHBondContact O-N 3.05Å; M476-M481 HydrophobicContact SD-CE 3.89Å
477	K	97.4	Very high	97.8	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.017	27%	0.266	C	S	.	.	I	π-helix	trans	-68	-38.2	179.2	174.6	-94.5	178.3	-84.1	0	113.5	P143 L147 P439 V441 V447 M473 Y474 Y475	P143-K477 PolarHBondContact O-NZ 2.89Å; L147-K477 HydrophobicContact CD1-CD 4.17Å; P439-K477 HydrophobicContact CB-CB 4.04Å; P439-K477 HydrophobicContact CB-CG 3.85Å; P439-K477 HydrophobicContact CG-CB 4.45Å; P439-K477 HydrophobicContact CG-CG 3.85Å; V441-K477 HydrophobicContact CG2-CD 3.7Å; V447-K477 HydrophobicContact CG2-CB 4.42Å; M473-K477 PolarHBondContact O-N 2.9Å; Y474-K477 PolarHBondContact O-N 2.98Å; Y474-K477 VanDerWaalsContact O-N 3.07Å; Y475-K477 PolarHBondContact O-N 3.02Å
478	A	96.4	Very high	97.8	Very high	2 Å²	2	58 Å²	58	2%	0.017	27%	0.27	C	S	.	.	I	π-helix	trans	-82.2	-32.7	-170.1	0	0	0	0	0	112.6	L147 K153 Y474 Y475 P482	L147-A478 HydrophobicContact CD1-CB 3.83Å; K153-A478 WeakPolarHBondContact CE-O 3.41Å; Y474-A478 HydrophobicContact CD1-CB 4.18Å; Y474-A478 HydrophobicContact CE1-CB 3.8Å; Y474-A478 VanDerWaalsContact O-CB 3.25Å; Y474-A478 WeakPolarHBondContact O-CB 3.33Å; Y474-A478 PolarHBondContact O-N 3.21Å; Y475-A478 PolarHBondContact O-N 3.32Å; A478-P482 WeakPolarHBondContact O-CG 3.46Å
479	D	96.2	Very high	97.8	Very high	72 Å²	72	52.2 Å²	52.2	39%	0.385	25%	0.245	S	C	.	.	I	π-helix	trans	-127.7	-41.1	-168.4	-53	-55.9	0	0	0	113.1	K153 Y475	K153-D479 IonicContact NZ-OD1 3.99Å; K153-D479 PolarHBondContact NZ-OD1 3.07Å; Y475-D479 WeakPolarHBondContact CD1-OD2 3.49Å; Y475-D479 WeakPolarHBondContact O-CB 3.21Å; Y475-D479 PolarHBondContact O-N 2.92Å
480	V	97.8	Very high	97.8	Very high	81 Å²	81	49.2 Å²	49.2	49%	0.491	23%	0.231	S	C	.	.	I	π-helix	trans	-78.1	-47.3	-179	-177.2	0	0	0	0	112	Y475 M476 H483 L484	Y475-V480 PolarHBondContact O-N 3.2Å; M476-V480 HydrophobicContact CG-CB 4.42Å; M476-V480 WeakPolarHBondContact O-CB 3.37Å; M476-V480 PolarHBondContact O-N 3.27Å; V480-H483 WeakPolarHBondContact O-CB 3.49Å; V480-H483 PolarHBondContact O-N 3.31Å; V480-H483 VanDerWaalsContact O-N 3.11Å; V480-L484 PolarHBondContact O-N 3.28Å
481	M	97.8	Very high	97.8	Very high	52 Å²	52	52.8 Å²	52.8	26%	0.256	24%	0.244	S	C	.	.	H	α-helix	trans	-62.3	-39.3	-176.4	-72.1	-64.4	130.2	0	0	114.1	M476 H483 L484 Y485	M476-M481 HydrophobicContact CE-CE 4.4Å; M476-M481 HydrophobicContact CG-CE 3.67Å; M476-M481 HydrophobicContact CG-CG 4.4Å; M476-M481 VanDerWaalsContact O-CG 3.27Å; M476-M481 WeakPolarHBondContact O-CG 3.31Å; M476-M481 PolarHBondContact O-N 3.05Å; M476-M481 HydrophobicContact SD-CE 3.89Å; M481-H483 VanDerWaalsContact C-N 3.31Å; M481-H483 PolarHBondContact O-N 2.96Å; M481-L484 HydrophobicContact CE-CD2 3.84Å; M481-L484 PolarHBondContact O-N 2.77Å; M481-L484 HydrophobicContact SD-CD2 4.01Å; M481-Y485 VanDerWaalsContact O-CB 3.27Å; M481-Y485 WeakPolarHBondContact O-CB 3.45Å; M481-Y485 PolarHBondContact O-N 2.87Å
482	P	97.9	Very high	97.8	Very high	21 Å²	21	45.1 Å²	45.1	14%	0.136	22%	0.216	C	C	.	.	H	α-helix	trans	-57.7	-42.9	170.8	-23	31.2	0	0	0	112.5	Y141 I144 A478 Y485 W486	Y141-P482 HydrophobicContact CD1-CB 4.18Å; Y141-P482 HydrophobicContact CD1-CG 4.32Å; Y141-P482 HydrophobicContact CE1-CB 4.03Å; Y141-P482 HydrophobicContact CE1-CG 3.79Å; I144-P482 HydrophobicContact CD1-CG 4.06Å; A478-P482 WeakPolarHBondContact O-CG 3.46Å; P482-Y485 WeakPolarHBondContact O-CB 3.26Å; P482-Y485 PolarHBondContact O-N 2.79Å; P482-W486 PolarHBondContact O-N 2.76Å; P482-W486 VanDerWaalsContact O-N 3.13Å
483	H	97.8	Very high	97.9	Very high	119 Å²	119	45.4 Å²	45.4	55%	0.551	22%	0.217	S	C	*	.	H	α-helix	trans	-66	-47.2	178.4	-170.3	83.2	0	0	0	111.4	V480 M481 Y485 W486 H487	V480-H483 WeakPolarHBondContact O-CB 3.49Å; V480-H483 PolarHBondContact O-N 3.31Å; V480-H483 VanDerWaalsContact O-N 3.11Å; M481-H483 VanDerWaalsContact C-N 3.31Å; M481-H483 PolarHBondContact O-N 2.96Å; H483-Y485 PolarHBondContact O-N 3.25Å; H483-W486 PolarHBondContact O-N 3.3Å; H483-H487 AromaticContact CE1-CD2 3.35Å; H483-H487 PolarHBondContact CE1-CD2 2.87Å; H483-H487 AromaticContact CE1-CG 3.96Å; H483-H487 AromaticContact CE1-NE2 3.86Å; H483-H487 AromaticContact CG-CD2 3.9Å; H483-H487 AromaticContact ND1-CD2 3.4Å; H483-H487 PolarHBondContact ND1-CD2 3.23Å; H483-H487 AromaticContact ND1-NE2 3.92Å; H483-H487 AromaticContact NE2-CD2 3.8Å; H483-H487 WeakPolarHBondContact O-CB 3.38Å; H483-H487 PolarHBondContact O-CD2 3.3Å; H483-H487 PolarHBondContact O-N 3.4Å
484	L	98.2	Very high	97.9	Very high	45 Å²	45	47.4 Å²	47.4	24%	0.236	23%	0.225	C	C	.	.	H	α-helix	trans	-60.9	-33.9	176.2	-176.5	62.4	0	0	0	112.2	V480 M481 G488 L489 W494	V480-L484 PolarHBondContact O-N 3.28Å; M481-L484 HydrophobicContact CE-CD2 3.84Å; M481-L484 PolarHBondContact O-N 2.77Å; M481-L484 HydrophobicContact SD-CD2 4.01Å; L484-G488 CarbonylContact O-C 3.5Å; L484-G488 WeakPolarHBondContact O-CA 3.36Å; L484-G488 PolarHBondContact O-N 2.75Å; L484-L489 PolarHBondContact O-N 3.18Å; L484-W494 HydrophobicContact CD1-CB 4.41Å; L484-W494 HydrophobicContact CD1-CD2 4.16Å; L484-W494 HydrophobicContact CD1-CE3 4.05Å; L484-W494 HydrophobicContact CD1-CG 4.3Å; L484-W494 HydrophobicContact CD2-CD2 3.85Å; L484-W494 HydrophobicContact CD2-CE3 4.1Å; L484-W494 HydrophobicContact CD2-CG 4.31Å; L484-W494 HydrophobicContact CD2-CH2 4.24Å; L484-W494 HydrophobicContact CD2-CZ2 4Å; L484-W494 HydrophobicContact CD2-CZ3 4.25Å; L484-W494 HydrophobicContact CG-CD2 4.2Å; L484-W494 HydrophobicContact CG-CG 4.24Å
485	Y	98.7	Very high	97.8	Very high	11 Å²	11	47.6 Å²	47.6	4%	0.043	23%	0.233	C	C	.	.	I	π-helix	trans	-63.2	-58.6	174.9	179.1	-97.7	0	0	0	111.4	S112 H139 Y141 M481 P482 H483 H487 L489 L490	S112-Y485 WeakPolarHBondContact OG-CE2 3.31Å; S112-Y485 PolarHBondContact OG-OH 2.93Å; H139-Y485 AromaticContact NE2-CE1 3.7Å; H139-Y485 AromaticContact NE2-CZ 3.6Å; H139-Y485 PolarHBondContact NE2-OH 2.97Å; Y141-Y485 AromaticContact CD2-CD1 3.41Å; Y141-Y485 HydrophobicContact CD2-CD1 3.41Å; Y141-Y485 VanDerWaalsContact CD2-CD1 3.41Å; Y141-Y485 AromaticContact CD2-CD2 3.44Å; Y141-Y485 HydrophobicContact CD2-CD2 3.44Å; Y141-Y485 VanDerWaalsContact CD2-CD2 3.44Å; Y141-Y485 AromaticContact CD2-CE1 3.71Å; Y141-Y485 HydrophobicContact CD2-CE1 3.71Å; Y141-Y485 AromaticContact CD2-CE2 3.73Å; Y141-Y485 HydrophobicContact CD2-CE2 3.73Å; Y141-Y485 AromaticContact CD2-CG 3.25Å; Y141-Y485 HydrophobicContact CD2-CG 3.25Å; Y141-Y485 AromaticContact CD2-CZ 3.84Å; Y141-Y485 HydrophobicContact CE2-CD1 4.23Å; Y141-Y485 AromaticContact CE2-CD2 3.62Å; Y141-Y485 HydrophobicContact CE2-CD2 3.62Å; Y141-Y485 HydrophobicContact CE2-CE2 4.22Å; Y141-Y485 AromaticContact CE2-CG 3.6Å; Y141-Y485 HydrophobicContact CE2-CG 3.6Å; Y141-Y485 AromaticContact CG-CD1 3.87Å; Y141-Y485 HydrophobicContact CG-CD1 3.87Å; Y141-Y485 HydrophobicContact CG-CE1 4.15Å; Y141-Y485 HydrophobicContact CG-CG 4.09Å; M481-Y485 VanDerWaalsContact O-CB 3.27Å; M481-Y485 WeakPolarHBondContact O-CB 3.45Å; M481-Y485 PolarHBondContact O-N 2.87Å; P482-Y485 WeakPolarHBondContact O-CB 3.26Å; P482-Y485 PolarHBondContact O-N 2.79Å; H483-Y485 PolarHBondContact O-N 3.25Å; Y485-H487 PolarHBondContact O-N 3.37Å; Y485-L489 HydrophobicContact CD2-CB 4.39Å; Y485-L489 HydrophobicContact CD2-CD2 3.65Å; Y485-L489 HydrophobicContact CE2-CD2 3.78Å; Y485-L489 PolarHBondContact O-N 3.31Å; Y485-L490 HydrophobicContact CD1-CD1 4.38Å; Y485-L490 HydrophobicContact CD1-CG 4.32Å; Y485-L490 HydrophobicContact CE1-CD1 3.9Å; Y485-L490 HydrophobicContact CE1-CD2 4.11Å; Y485-L490 HydrophobicContact CE1-CG 4.04Å; Y485-L490 HydrophobicContact CE2-CD2 4.24Å; Y485-L490 PolarHBondContact O-N 3Å
486	W	98.5	Very high	97.8	Very high	17 Å²	17	41.6 Å²	41.6	6%	0.064	21%	0.211	C	C	.	.	I	π-helix	trans	-66.4	-38.5	-175.5	-65	123.2	0	0	0	113.3	H139 S158 R160 V165 P482 H483 L490	H139-W486 AromaticContact CD2-CH2 3.73Å; H139-W486 AromaticContact CD2-CZ3 3.46Å; H139-W486 VanDerWaalsContact CD2-CZ3 3.46Å; H139-W486 WeakPolarHBondContact CD2-CZ3 3.33Å; S158-W486 WeakPolarHBondContact O-CZ2 3.48Å; R160-W486 HydrophobicContact CB-CH2 4.11Å; R160-W486 HydrophobicContact CB-CZ3 4.06Å; R160-W486 HydrophobicContact CG-CD2 4.4Å; R160-W486 HydrophobicContact CG-CE3 4.18Å; R160-W486 HydrophobicContact CG-CH2 3.88Å; R160-W486 HydrophobicContact CG-CZ2 4.08Å; R160-W486 HydrophobicContact CG-CZ3 3.93Å; V165-W486 HydrophobicContact CG1-CE3 4.03Å; V165-W486 HydrophobicContact CG1-CZ3 3.87Å; P482-W486 PolarHBondContact O-N 2.76Å; P482-W486 VanDerWaalsContact O-N 3.13Å; H483-W486 PolarHBondContact O-N 3.3Å; W486-L490 HydrophobicContact CE3-CD1 3.45Å; W486-L490 VanDerWaalsContact CE3-CD1 3.45Å; W486-L490 HydrophobicContact CZ3-CD1 3.64Å
487	H	98.1	Very high	97.7	Very high	59 Å²	59	40.8 Å²	40.8	27%	0.273	21%	0.208	S	C	.	.	I	π-helix	trans	-104.6	-16.5	-171.5	-60.3	-77.2	0	0	0	113.7	R160 H483 Y485 R491	R160-H487 PolarHBondContact NH2-NE2 3.2Å; H483-H487 AromaticContact CE1-CD2 3.35Å; H483-H487 PolarHBondContact CE1-CD2 2.87Å; H483-H487 AromaticContact CE1-CG 3.96Å; H483-H487 AromaticContact CE1-NE2 3.86Å; H483-H487 AromaticContact CG-CD2 3.9Å; H483-H487 AromaticContact ND1-CD2 3.4Å; H483-H487 PolarHBondContact ND1-CD2 3.23Å; H483-H487 AromaticContact ND1-NE2 3.92Å; H483-H487 AromaticContact NE2-CD2 3.8Å; H483-H487 WeakPolarHBondContact O-CB 3.38Å; H483-H487 PolarHBondContact O-CD2 3.3Å; H483-H487 PolarHBondContact O-N 3.4Å; Y485-H487 PolarHBondContact O-N 3.37Å; H487-R491 VanDerWaalsContact O-CD 3.31Å; H487-R491 WeakPolarHBondContact O-CD 3.38Å
488	G	98.3	Very high	97.6	Very high	8 Å²	8	41.9 Å²	41.9	8%	0.082	22%	0.221	C	C	.	.	I	π-helix	trans	-108.4	-66.5	176.6	0	0	0	0	0	112.4	L484 R491 G492 L493 W494	L484-G488 CarbonylContact O-C 3.5Å; L484-G488 WeakPolarHBondContact O-CA 3.36Å; L484-G488 PolarHBondContact O-N 2.75Å; G488-R491 PolarHBondContact O-N 2.81Å; G488-G492 PolarHBondContact O-N 3.01Å; G488-L493 PolarHBondContact O-N 3.16Å; G488-W494 PolarHBondContact O-N 3.48Å
489	L	98.4	Very high	97.6	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.026	25%	0.248	C	C	.	.	I	π-helix	trans	-62.5	-52.6	-173.1	-177.2	65.4	0	0	0	112.4	C116 A409 L484 Y485 R491 G492 W494	C116-L489 HydrophobicContact CB-CD1 4.24Å; C116-L489 HydrophobicContact CB-CG 4.34Å; C116-L489 WeakPolarHBondContact CB-O 3.43Å; C116-L489 VanDerWaalsContact SG-CD1 3.59Å; C116-L489 PolarHBondContact SG-O 3.27Å; A409-L489 HydrophobicContact CB-CD1 3.77Å; L484-L489 PolarHBondContact O-N 3.18Å; Y485-L489 HydrophobicContact CD2-CB 4.39Å; Y485-L489 HydrophobicContact CD2-CD2 3.65Å; Y485-L489 HydrophobicContact CE2-CD2 3.78Å; Y485-L489 PolarHBondContact O-N 3.31Å; L489-R491 PolarHBondContact O-N 3.01Å; L489-G492 WeakPolarHBondContact O-CA 3.41Å; L489-G492 PolarHBondContact O-N 2.78Å; L489-W494 HydrophobicContact CB-CB 4.25Å
490	L	98.6	Very high	97.5	Very high	7 Å²	7	48.8 Å²	48.8	4%	0.037	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-21.8	-178.4	-61.5	-164.5	0	0	0	113	I115 A119 V165 Y485 W486	I115-L490 HydrophobicContact CB-CD2 4.12Å; I115-L490 HydrophobicContact CG2-CB 3.86Å; I115-L490 HydrophobicContact CG2-CD1 4.36Å; I115-L490 HydrophobicContact CG2-CD2 3.98Å; I115-L490 HydrophobicContact CG2-CG 4.27Å; A119-L490 WeakPolarHBondContact CB-O 3.44Å; V165-L490 HydrophobicContact CB-CD1 3.92Å; V165-L490 HydrophobicContact CG1-CD1 3.93Å; Y485-L490 HydrophobicContact CD1-CD1 4.38Å; Y485-L490 HydrophobicContact CD1-CG 4.32Å; Y485-L490 HydrophobicContact CE1-CD1 3.9Å; Y485-L490 HydrophobicContact CE1-CD2 4.11Å; Y485-L490 HydrophobicContact CE1-CG 4.04Å; Y485-L490 HydrophobicContact CE2-CD2 4.24Å; Y485-L490 PolarHBondContact O-N 3Å; W486-L490 HydrophobicContact CE3-CD1 3.45Å; W486-L490 VanDerWaalsContact CE3-CD1 3.45Å; W486-L490 HydrophobicContact CZ3-CD1 3.64Å
491	R	98.4	Very high	97.4	Very high	143 Å²	143	46.4 Å²	46.4	54%	0.54	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-0.1	171.6	-61.4	-165.2	176.7	176.5	-7.3	113	R123 H487 G488 L489 L493	R123-R491 PolarHBondContact NH1-O 3.37Å; H487-R491 VanDerWaalsContact O-CD 3.31Å; H487-R491 WeakPolarHBondContact O-CD 3.38Å; G488-R491 PolarHBondContact O-N 2.81Å; L489-R491 PolarHBondContact O-N 3.01Å; R491-L493 VanDerWaalsContact C-N 3.26Å; R491-L493 HydrophobicContact CB-CD1 4.05Å; R491-L493 HydrophobicContact CB-CG 4.02Å; R491-L493 PolarHBondContact O-N 3Å
492	G	97.8	Very high	97.2	Very high	2 Å²	2	51.5 Å²	51.5	2%	0.021	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	68	23.6	-177.5	0	0	0	0	0	113.6	R120 R123 G488 L489	R120-G492 VanDerWaalsContact CZ-O 3.29Å; R120-G492 PolarHBondContact NH1-O 2.89Å; R120-G492 PolarHBondContact NH2-O 3.31Å; R123-G492 PolarHBondContact NH2-O 2.59Å; G488-G492 PolarHBondContact O-N 3.01Å; L489-G492 WeakPolarHBondContact O-CA 3.41Å; L489-G492 PolarHBondContact O-N 2.78Å
493	L	98.1	Very high	97	Very high	124 Å²	124	55.7 Å²	55.7	65%	0.649	28%	0.277	S	S	*	.			trans	-100.5	-14.7	-178.4	-59.3	177	0	0	0	112.6	G488 R491	G488-L493 PolarHBondContact O-N 3.16Å; R491-L493 VanDerWaalsContact C-N 3.26Å; R491-L493 HydrophobicContact CB-CD1 4.05Å; R491-L493 HydrophobicContact CB-CG 4.02Å; R491-L493 PolarHBondContact O-N 3Å
494	W	98.1	Very high	96.8	Very high	43 Å²	43	53.5 Å²	53.5	16%	0.163	27%	0.269	C	S	.	.			trans	-104	130	176.5	-178.8	-118.1	0	0	0	111	R120 A409 L484 G488 L489 P497 Y500	R120-W494 PolarHBondContact NH2-O 3.26Å; A409-W494 VanDerWaalsContact CB-CD1 3.45Å; L484-W494 HydrophobicContact CD1-CB 4.41Å; L484-W494 HydrophobicContact CD1-CD2 4.16Å; L484-W494 HydrophobicContact CD1-CE3 4.05Å; L484-W494 HydrophobicContact CD1-CG 4.3Å; L484-W494 HydrophobicContact CD2-CD2 3.85Å; L484-W494 HydrophobicContact CD2-CE3 4.1Å; L484-W494 HydrophobicContact CD2-CG 4.31Å; L484-W494 HydrophobicContact CD2-CH2 4.24Å; L484-W494 HydrophobicContact CD2-CZ2 4Å; L484-W494 HydrophobicContact CD2-CZ3 4.25Å; L484-W494 HydrophobicContact CG-CD2 4.2Å; L484-W494 HydrophobicContact CG-CG 4.24Å; G488-W494 PolarHBondContact O-N 3.48Å; L489-W494 HydrophobicContact CB-CB 4.25Å; W494-P497 HydrophobicContact CH2-CB 4Å; W494-P497 HydrophobicContact CZ2-CB 4.11Å; W494-Y500 HydrophobicContact CE3-CE2 4.34Å; W494-Y500 HydrophobicContact CH2-CD2 4.01Å; W494-Y500 AromaticContact CH2-CE2 3.9Å; W494-Y500 HydrophobicContact CH2-CE2 3.9Å; W494-Y500 AromaticContact CZ3-CD2 3.93Å; W494-Y500 HydrophobicContact CZ3-CD2 3.93Å; W494-Y500 AromaticContact CZ3-CE2 3.33Å; W494-Y500 HydrophobicContact CZ3-CE2 3.33Å; W494-Y500 AromaticContact CZ3-CZ 3.99Å
495	G	97	Very high	96.5	Very high	25 Å²	25	54.5 Å²	54.5	26%	0.258	27%	0.273	S	S	.	.			trans	-126	23.2	-175.8	0	0	0	0	0	113.6	A409 A410	A409-G495 CarbonylContact O-C 3.58Å; A409-G495 VanDerWaalsContact O-C 3.27Å; A409-G495 VanDerWaalsContact O-CA 3.3Å; A409-G495 WeakPolarHBondContact O-CA 3.38Å; A410-G495 WeakPolarHBondContact CA-O 3.47Å
496	G	96	Very high	95.8	Very high	4 Å²	4	60.3 Å²	60.3	4%	0.041	30%	0.303	C	S	.	.			trans	82.2	169.5	-168.9	0	0	0	0	0	113.3	G498	G496-G498 VanDerWaalsContact C-N 3.32Å; G496-G498 PolarHBondContact O-N 3.04Å
497	P	97	Very high	94.4	Very high	13 Å²	13	63.4 Å²	63.4	8%	0.084	34%	0.341	C	S	.	.	S	Bend	trans	-86.1	5.5	-170.9	33.4	-34.1	0	0	0	114.7	Y435 T461 W494 Y500 R501	Y435-P497 VanDerWaalsContact CE1-CD 3.47Å; Y435-P497 HydrophobicContact CE1-CG 4.04Å; Y435-P497 HydrophobicContact CE2-CG 4.08Å; Y435-P497 VanDerWaalsContact CZ-CD 3.48Å; Y435-P497 VanDerWaalsContact CZ-CG 3.47Å; Y435-P497 WeakPolarHBondContact OH-CD 3.5Å; Y435-P497 WeakPolarHBondContact OH-CG 3.44Å; T461-P497 HydrophobicContact CG2-CB 3.75Å; T461-P497 HydrophobicContact CG2-CG 4.48Å; T461-P497 WeakPolarHBondContact OG1-CB 3.27Å; T461-P497 VanDerWaalsContact OG1-CG 3.23Å; T461-P497 WeakPolarHBondContact OG1-CG 3.45Å; W494-P497 HydrophobicContact CH2-CB 4Å; W494-P497 HydrophobicContact CZ2-CB 4.11Å; P497-Y500 WeakPolarHBondContact O-CA 3.18Å; P497-Y500 WeakPolarHBondContact O-CB 3.26Å; P497-Y500 PolarHBondContact O-N 3.46Å; P497-R501 PolarHBondContact O-N 3.44Å
498	G	95.4	Very high	92.7	Very high	27 Å²	27	65.8 Å²	65.8	28%	0.278	35%	0.353	S	S	.	.	H	α-helix	trans	-48.4	-46.5	-176.9	0	0	0	0	0	115.2	G496 Y500 R501 K502	G496-G498 VanDerWaalsContact C-N 3.32Å; G496-G498 PolarHBondContact O-N 3.04Å; G498-Y500 VanDerWaalsContact C-N 3.35Å; G498-Y500 PolarHBondContact O-N 2.9Å; G498-R501 PolarHBondContact O-N 2.89Å; G498-K502 PolarHBondContact O-N 3.37Å; G498-K502 VanDerWaalsContact O-N 3.17Å
499	P	94.6	Very high	90	Very high	92 Å²	92	78.9 Å²	78.9	60%	0.597	41%	0.408	S	S	*	.	H	α-helix	trans	-61.5	-38.8	174.3	-25.1	35.6	0	0	0	113.8	K502 L503	P499-K502 PolarHBondContact O-N 3.12Å; P499-L503 PolarHBondContact O-N 2.8Å
500	Y	94.8	Very high	89.6	Confident	126 Å²	126	82.6 Å²	82.6	49%	0.494	43%	0.427	S	S	.	.	H	α-helix	trans	-70.6	-39.7	179.3	-60.9	-92.5	0	0	0	111.4	W494 P497 G498 K502 L503 L504	W494-Y500 HydrophobicContact CE3-CE2 4.34Å; W494-Y500 HydrophobicContact CH2-CD2 4.01Å; W494-Y500 AromaticContact CH2-CE2 3.9Å; W494-Y500 HydrophobicContact CH2-CE2 3.9Å; W494-Y500 AromaticContact CZ3-CD2 3.93Å; W494-Y500 HydrophobicContact CZ3-CD2 3.93Å; W494-Y500 AromaticContact CZ3-CE2 3.33Å; W494-Y500 HydrophobicContact CZ3-CE2 3.33Å; W494-Y500 AromaticContact CZ3-CZ 3.99Å; P497-Y500 WeakPolarHBondContact O-CA 3.18Å; P497-Y500 WeakPolarHBondContact O-CB 3.26Å; P497-Y500 PolarHBondContact O-N 3.46Å; G498-Y500 VanDerWaalsContact C-N 3.35Å; G498-Y500 PolarHBondContact O-N 2.9Å; Y500-K502 VanDerWaalsContact C-N 3.33Å; Y500-K502 PolarHBondContact O-N 3.04Å; Y500-L503 PolarHBondContact O-N 3.45Å; Y500-L504 WeakPolarHBondContact O-CB 3.31Å; Y500-L504 VanDerWaalsContact O-CG 3.25Å; Y500-L504 WeakPolarHBondContact O-CG 2.96Å; Y500-L504 PolarHBondContact O-N 2.86Å
501	R	96	Very high	89.1	Confident	31 Å²	31	86.5 Å²	86.5	12%	0.117	45%	0.447	C	S	.	.	H	α-helix	trans	-55.9	-50.1	172.7	-174.3	-178	-46.8	118.4	9.5	110.7	Y435 E451 L459 E460 T461 P497 G498 L503 L504 H505	Y435-R501 VanDerWaalsContact CD2-NH2 3.26Å; E451-R501 IonicContact OE1-NH2 2.97Å; L459-R501 PolarHBondContact O-NE 3.43Å; L459-R501 VanDerWaalsContact O-NE 3.15Å; L459-R501 PolarHBondContact O-NH2 3.05Å; E460-R501 WeakPolarHBondContact O-CD 3.31Å; E460-R501 WeakPolarHBondContact O-CG 3.48Å; E460-R501 PolarHBondContact O-NE 3.29Å; T461-R501 HydrophobicContact CG2-CB 4.49Å; P497-R501 PolarHBondContact O-N 3.44Å; G498-R501 PolarHBondContact O-N 2.89Å; R501-L503 VanDerWaalsContact C-N 3.34Å; R501-L503 PolarHBondContact O-N 2.69Å; R501-L504 PolarHBondContact O-N 2.85Å; R501-H505 PolarHBondContact O-N 3.25Å; R501-H505 VanDerWaalsContact O-N 3.14Å; R501-H505 PolarHBondContact O-ND1 2.88Å
502	K	93.7	Very high	88.6	Confident	159 Å²	159	83.4 Å²	83.4	69%	0.691	44%	0.442	S	S	*	.	H	α-helix	trans	-57.2	-48.5	177.2	-70.8	-175	178.2	-166.7	0	111.4	G498 P499 Y500 H505 L506	G498-K502 PolarHBondContact O-N 3.37Å; G498-K502 VanDerWaalsContact O-N 3.17Å; P499-K502 PolarHBondContact O-N 3.12Å; Y500-K502 VanDerWaalsContact C-N 3.33Å; Y500-K502 PolarHBondContact O-N 3.04Å; K502-H505 PolarHBondContact O-N 3.23Å; K502-L506 WeakPolarHBondContact O-CG 3.31Å; K502-L506 PolarHBondContact O-N 3Å
503	L	94.4	Very high	88.1	Confident	109 Å²	109	88.2 Å²	88.2	57%	0.571	47%	0.467	S	S	*	.	H	α-helix	trans	-59.9	-46.7	179.7	-179.4	64.7	0	0	0	112.7	P499 Y500 R501 H505 L506	P499-L503 PolarHBondContact O-N 2.8Å; Y500-L503 PolarHBondContact O-N 3.45Å; R501-L503 VanDerWaalsContact C-N 3.34Å; R501-L503 PolarHBondContact O-N 2.69Å; L503-H505 VanDerWaalsContact C-N 3.27Å; L503-H505 PolarHBondContact O-N 2.97Å; L503-L506 HydrophobicContact CD1-CD1 3.97Å; L503-L506 WeakPolarHBondContact O-CB 3.47Å; L503-L506 PolarHBondContact O-N 2.88Å
504	L	92.9	Very high	87.4	Confident	74 Å²	74	85.9 Å²	85.9	39%	0.387	46%	0.456	S	S	.	.	H	α-helix	trans	-72.4	-19.6	-176	-69.4	172.8	0	0	0	113.7	T461 F462 Y500 R501	T461-L504 HydrophobicContact CG2-CD1 4.42Å; F462-L504 HydrophobicContact CD1-CD1 3.95Å; F462-L504 HydrophobicContact CE1-CD1 4.35Å; Y500-L504 WeakPolarHBondContact O-CB 3.31Å; Y500-L504 VanDerWaalsContact O-CG 3.25Å; Y500-L504 WeakPolarHBondContact O-CG 2.96Å; Y500-L504 PolarHBondContact O-N 2.86Å; R501-L504 PolarHBondContact O-N 2.85Å
505	H	90.9	Very high	86.7	Confident	66 Å²	66	88.8 Å²	88.8	31%	0.306	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	1.3	175.1	-64.8	78.9	0	0	0	112.4	T461 R501 K502 L503 G507 M508	T461-H505 PolarHBondContact O-CE1 2.89Å; R501-H505 PolarHBondContact O-N 3.25Å; R501-H505 VanDerWaalsContact O-N 3.14Å; R501-H505 PolarHBondContact O-ND1 2.88Å; K502-H505 PolarHBondContact O-N 3.23Å; L503-H505 VanDerWaalsContact C-N 3.27Å; L503-H505 PolarHBondContact O-N 2.97Å; H505-G507 PolarHBondContact O-N 3.15Å; H505-G507 VanDerWaalsContact O-N 3.16Å; H505-M508 PolarHBondContact O-N 3.41Å
506	L	84.5	Confident	86	Confident	132 Å²	132	93.4 Å²	93.4	69%	0.691	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	119.9	170.9	-69	-179.6	0	0	0	109.1	K502 L503	K502-L506 WeakPolarHBondContact O-CG 3.31Å; K502-L506 PolarHBondContact O-N 3Å; L503-L506 HydrophobicContact CD1-CD1 3.97Å; L503-L506 WeakPolarHBondContact O-CB 3.47Å; L503-L506 PolarHBondContact O-N 2.88Å
507	G	68.6	Low	85.2	Confident	82 Å²	82	100.2 Å²	100.2	85%	0.845	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.3	-3.2	179.4	0	0	0	0	0	115.2	H505 K509	H505-G507 PolarHBondContact O-N 3.15Å; H505-G507 VanDerWaalsContact O-N 3.16Å; G507-K509 PolarHBondContact O-N 2.97Å
508	M	62.7	Low	84.2	Confident	110 Å²	110	107.5 Å²	107.5	54%	0.542	56%	0.562	S	S	.	*			trans	-86.7	100	167.1	-63.2	-179.3	71.2	0	0	108	P463 H505	P463-M508 HydrophobicContact CB-CE 3.83Å; P463-M508 HydrophobicContact CB-SD 3.28Å; P463-M508 WeakPolarHBondContact CB-SD 3.46Å; P463-M508 HydrophobicContact CG-SD 4.43Å; H505-M508 PolarHBondContact O-N 3.41Å
509	K	42.3	Very low	83.2	Confident	282 Å²	282	114.8 Å²	114.8	100%	1.226	59%	0.588	S	S	*	*			trans	-73.9	0	171.5	-81.2	-172.2	176.9	-178.4	0	111	G507	G507-K509 PolarHBondContact O-N 2.97Å

Retrieved 509 of 509 residues in 758.9 ms (Link to these results)

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