Q99NI0_MOUSE Loading...

Tip-associated protein

AlphaFold DB , UniProt , Accession Q99NI0, Species MOUSE (Mus musculus, Mouse), Gene Nxf2, Length 671 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.3	Very low	29.3	Very low	235 Å²	235	153.8 Å²	153.8	100%	1.158	79%	0.787	S	S	*	*				0	146.3	0	-88.9	-177.9	-174.1	0	0	108.3
2	F	29.9	Very low	29	Very low	200 Å²	200	160.3 Å²	160.3	88%	0.877	80%	0.797	S	S	*	*			trans	77.2	132.5	-170	-69	-84.4	0	0	0	116.1
3	V	28.9	Very low	29.4	Very low	103 Å²	103	162 Å²	162	62%	0.624	80%	0.796	S	S	*	*			cis	162.7	134.4	-36.5	151	0	0	0	0	105.9
4	Q	28.3	Very low	29.4	Very low	167 Å²	167	160.6 Å²	160.6	78%	0.78	79%	0.787	S	S	*	*			trans	58.6	118.8	153.2	-76.7	160.2	-28.1	0	0	120
5	K	32.2	Very low	29.4	Very low	172 Å²	172	161.2 Å²	161.2	75%	0.748	78%	0.777	S	S	*	*				76.7	114.3	77.1	-89.9	-170.6	175.5	179.1	0	114.2
6	N	27.8	Very low	29.2	Very low	135 Å²	135	163.1 Å²	163.1	72%	0.722	78%	0.776	S	S	*	*				52.4	138.7	127.6	-57.9	-11.8	0	0	0	119.5
7	I	28.5	Very low	29	Very low	158 Å²	158	158.1 Å²	158.1	81%	0.81	78%	0.778	S	S	*	*				174.4	148.1	89.7	-80.1	177.4	0	0	0	109.9
8	N	26.4	Very low	28.7	Very low	148 Å²	148	158.9 Å²	158.9	79%	0.791	79%	0.785	S	S	*	*			trans	-63.5	177.4	176.7	-71.1	-36	0	0	0	117.3
9	S	27.9	Very low	29.3	Very low	100 Å²	100	156.1 Å²	156.1	70%	0.699	78%	0.779	S	S	*	*			trans	86.7	145.5	146	80.5	0	0	0	0	115.7
10	E	28.9	Very low	29	Very low	163 Å²	163	158.7 Å²	158.7	76%	0.762	78%	0.781	S	S	*	*			cis	-171.1	144.3	22.1	-136.2	171.6	-159.9	0	0	110.8
11	T	29.5	Very low	28.8	Very low	111 Å²	111	160.1 Å²	160.1	68%	0.681	78%	0.783	S	S	*	*			trans	35.9	140.8	140.3	51.8	0	0	0	0	125.8
12	Y	25.4	Very low	28.3	Very low	232 Å²	232	160.6 Å²	160.6	91%	0.91	77%	0.772	S	S	*	*			trans	-143.6	100.4	139.4	-106.8	-86.9	0	0	0	113.7
13	K	33.7	Very low	28	Very low	182 Å²	182	156.1 Å²	156.1	79%	0.791	77%	0.766	S	S	*	*			trans	31.2	145.6	131.7	-99.1	175.2	-173.2	172.3	0	127.5
14	Q	30.6	Very low	27.8	Very low	143 Å²	143	157.8 Å²	157.8	67%	0.668	77%	0.767	S	S	*	*			trans	98.7	138.8	144	-76.7	-179.4	12.4	0	0	118.6
15	R	28.2	Very low	27.5	Very low	169 Å²	169	158.7 Å²	158.7	64%	0.638	76%	0.763	S	S	*	*			cis	-173.3	155.7	12.2	-128.4	160.5	-174.7	-157.6	13.5	112.4
16	Y	27.3	Very low	27.1	Very low	191 Å²	191	158 Å²	158	75%	0.749	76%	0.76	S	S	*	*			trans	79.1	119.1	153.4	-60.9	-61.4	0	0	0	124.7
17	G	25.3	Very low	26.9	Very low	79 Å²	79	160.3 Å²	160.3	81%	0.814	76%	0.76	S	S	*	*				101.5	100.8	118.9	0	0	0	0	0	121.3
18	L	23.6	Very low	26.6	Very low	173 Å²	173	161.1 Å²	161.1	91%	0.906	76%	0.76	S	S	*	*			trans	-70.6	-178.9	166.6	-70.6	163	0	0	0	113
19	P	40.3	Very low	26.4	Very low	104 Å²	104	158.5 Å²	158.5	68%	0.675	75%	0.753	S	S	*	*			cis	-146.2	173.9	9.1	37.3	-14.9	0	0	0	119.2
20	Y	23.5	Very low	26.2	Very low	209 Å²	209	162.7 Å²	162.7	82%	0.82	76%	0.762	S	S	*	*			trans	68.3	136.3	145.4	-100.4	-118.5	0	0	0	119.2
21	K	25.3	Very low	25.9	Very low	188 Å²	188	165.1 Å²	165.1	82%	0.817	77%	0.766	S	S	*	*			cis	-168.9	151.6	38.7	-152.7	165.4	-163.4	-176.8	0	111.4
22	R	23.5	Very low	25.5	Very low	246 Å²	246	169.6 Å²	169.6	93%	0.928	78%	0.776	S	S	*	*			trans	-57	151.7	175.2	-93.2	172.2	162	165.1	-6	116.4
23	S	23.5	Very low	25.5	Very low	106 Å²	106	166.2 Å²	166.2	74%	0.741	77%	0.77	S	S	*	*				169.2	103.7	127.9	177.7	0	0	0	0	109.3
24	E	24.2	Very low	25.1	Very low	138 Å²	138	164.9 Å²	164.9	65%	0.645	77%	0.771	S	S	*	*				76.5	110.8	100.2	-73.6	-160.8	132.7	0	0	118.1
25	R	22.8	Very low	24.8	Very low	185 Å²	185	168.4 Å²	168.4	70%	0.698	78%	0.78	S	S	*	*			trans	51.8	127.7	135.5	-45.7	178.9	-152.4	-169.9	10.1	121.5
26	F	23	Very low	24.6	Very low	157 Å²	157	167.4 Å²	167.4	69%	0.689	79%	0.788	S	S	*	*				156.6	122.2	104.3	-97.7	-88.3	0	0	0	112.4
27	Y	23.2	Very low	24.6	Very low	184 Å²	184	167.4 Å²	167.4	72%	0.722	79%	0.794	S	S	*	*			trans	56.2	137.2	140.2	-79.8	-111.4	0	0	0	125.4
28	H	22.8	Very low	24.4	Very low	175 Å²	175	166.9 Å²	166.9	81%	0.81	79%	0.789	S	S	*	*			trans	64.9	142	149	-88.5	40	0	0	0	115.9
29	S	23.1	Very low	24.4	Very low	94 Å²	94	166.9 Å²	166.9	66%	0.657	78%	0.782	S	S	*	*			cis	-166	171.4	35.4	61.4	0	0	0	0	112.1
30	E	22.2	Very low	23.6	Very low	187 Å²	187	170.3 Å²	170.3	87%	0.874	79%	0.789	S	S	*	*			trans	-43.5	145.7	173.9	-57.7	165.2	140.7	0	0	116.6
31	Y	23.4	Very low	23.5	Very low	215 Å²	215	163.6 Å²	163.6	84%	0.843	78%	0.783	S	S	*	*			trans	-123.8	118.8	161.7	-92.4	-87.9	0	0	0	110.4
32	K	21.8	Very low	23.4	Very low	205 Å²	205	166.2 Å²	166.2	89%	0.891	79%	0.788	S	S	*	*			trans	-73.2	139.8	158	-81.5	178.3	174.4	174.9	0	109.2
33	M	24.6	Very low	23.4	Very low	160 Å²	160	163.4 Å²	163.4	79%	0.788	78%	0.782	S	S	*	*			trans	-112.4	124.8	165.5	-82.6	-68.8	-168.8	0	0	110.7
34	N	24.1	Very low	23.4	Very low	154 Å²	154	170.1 Å²	170.1	82%	0.824	79%	0.791	S	S	*	*			trans	-77.3	147.5	163.4	-84	-37.2	0	0	0	109.7
35	Y	24.8	Very low	23.3	Very low	218 Å²	218	167 Å²	167	86%	0.855	80%	0.796	S	S	*	*			trans	-138.3	132.7	149.4	-90.4	-79	0	0	0	111.3
36	N	23.4	Very low	23.4	Very low	148 Å²	148	165 Å²	165	79%	0.791	80%	0.804	S	S	*	*			trans	-123.8	140.2	175	-134.1	0.8	0	0	0	106
37	H	27.3	Very low	23.4	Very low	190 Å²	190	163.6 Å²	163.6	88%	0.88	80%	0.804	S	S	*	*			trans	161.6	111.2	154.9	-85.8	-53.1	0	0	0	106.6
38	G	22.8	Very low	23.4	Very low	69 Å²	69	166.1 Å²	166.1	71%	0.711	81%	0.814	S	S	*	*				96.7	128.8	71.6	0	0	0	0	0	108.5
39	F	22.8	Very low	23.5	Very low	173 Å²	173	165 Å²	165	76%	0.759	81%	0.813	S	S	*	*			cis	-172.7	147.7	36.3	-126.8	-115.1	0	0	0	111.5
40	Q	23.4	Very low	23.3	Very low	175 Å²	175	171.8 Å²	171.8	82%	0.818	82%	0.824	S	S	*	*			trans	49.6	135	145.6	-72.2	177.3	-10.7	0	0	123
41	G	22.3	Very low	23.4	Very low	68 Å²	68	168.3 Å²	168.3	70%	0.701	82%	0.82	S	S	*	*			cis	173	177.8	1	0	0	0	0	0	115.5
42	R	23.2	Very low	23.4	Very low	243 Å²	243	166 Å²	166	92%	0.917	82%	0.817	S	S	*	*			trans	65.1	138	163.3	-66.3	-176.8	-179.2	-170.4	1.8	117.9
43	K	23.2	Very low	23.5	Very low	188 Å²	188	166.4 Å²	166.4	82%	0.817	82%	0.819	S	S	*	*			cis	-175.1	164.8	-13.3	-126.7	-174	-175.8	-174.7	0	106.4
44	R	23.8	Very low	23.6	Very low	246 Å²	246	165.9 Å²	165.9	93%	0.928	82%	0.82	S	S	*	*			trans	90	103.6	173.6	-55.4	-179.8	-175.7	-179.5	1.6	111.8
45	G	21.9	Very low	23.6	Very low	73 Å²	73	169.4 Å²	169.4	75%	0.753	82%	0.822	S	S	*	*				102.5	120.8	53.8	0	0	0	0	0	105.4
46	V	24.5	Very low	23.6	Very low	142 Å²	142	169.2 Å²	169.2	86%	0.861	83%	0.825	S	S	*	*				-161.9	148.6	66.1	172.6	0	0	0	0	110.1
47	N	21.7	Very low	23.8	Very low	128 Å²	128	169.4 Å²	169.4	68%	0.684	83%	0.826	S	S	*	*			trans	-50.7	153.5	-178.7	-57.6	-46.6	0	0	0	116.9
48	Y	24.6	Very low	23.7	Very low	238 Å²	238	168.4 Å²	168.4	93%	0.933	83%	0.827	S	S	*	*				-139.4	137.9	128	-87.2	-76	0	0	0	111.8
49	I	24.7	Very low	24	Very low	152 Å²	152	173.3 Å²	173.3	78%	0.779	83%	0.831	S	S	*	*			trans	-82.8	142.9	-168	-72.3	164.9	0	0	0	110.8
50	W	19.5	Very low	24.1	Very low	236 Å²	236	175 Å²	175	89%	0.894	84%	0.839	S	S	*	*			trans	-78.7	139.3	165	-91.5	54.5	0	0	0	111.1
51	S	24	Very low	24.2	Very low	114 Å²	114	173 Å²	173	80%	0.797	83%	0.833	S	S	*	*			trans	-138	121.7	153.1	57.2	0	0	0	0	110.2
52	Q	23.3	Very low	24.3	Very low	166 Å²	166	177.2 Å²	177.2	78%	0.776	84%	0.835	S	S	*	*			trans	-56.7	156.2	167.9	-67.3	170.9	-16.7	0	0	111.7
53	F	23.9	Very low	24.4	Very low	213 Å²	213	176 Å²	176	93%	0.934	83%	0.831	S	S	*	*				-164	154.1	128	-105.4	-71.9	0	0	0	112.5
54	D	25.5	Very low	24.4	Very low	150 Å²	150	170.7 Å²	170.7	80%	0.802	83%	0.83	S	S	*	*			trans	-81.9	166.8	-155.2	-109.3	-45.7	0	0	0	117.8
55	R	25.4	Very low	24.5	Very low	228 Å²	228	163.6 Å²	163.6	86%	0.86	82%	0.824	S	S	*	*			trans	-59.2	152	173.7	-73.6	172.5	165	169.1	-4.7	114.7
56	K	25.4	Very low	25	Very low	213 Å²	213	165 Å²	165	93%	0.926	82%	0.82	S	S	*	*			trans	-162.4	140.7	134.2	-108	169.8	-172.7	-178.4	0	113.1
57	N	26.9	Very low	24.9	Very low	152 Å²	152	168.5 Å²	168.5	81%	0.813	82%	0.82	S	S	*	*			trans	-73.4	156.4	176.7	-75.8	-19.9	0	0	0	113
58	N	25.9	Very low	25.2	Very low	170 Å²	170	166.8 Å²	166.8	91%	0.909	82%	0.823	S	S	*	*				-169.4	144.3	128	-93.3	-12.6	0	0	0	112.9
59	H	27.4	Very low	25.1	Very low	172 Å²	172	164.6 Å²	164.6	80%	0.796	82%	0.824	S	S	*	*			trans	-77.2	150.8	172.9	-104.9	-82.5	0	0	0	112.3
60	F	25.9	Very low	25.3	Very low	208 Å²	208	160.7 Å²	160.7	91%	0.912	82%	0.821	S	S	*	*			trans	-170.5	148.1	133.3	-107.9	-75.9	0	0	0	111.2
61	D	26	Very low	25.5	Very low	132 Å²	132	157 Å²	157	71%	0.706	82%	0.816	S	S	*	*			trans	-77.7	161.9	-172.9	-74.9	-55.4	0	0	0	116.5
62	H	24	Very low	25.7	Very low	157 Å²	157	160.1 Å²	160.1	73%	0.727	82%	0.815	S	S	*	*			trans	122.8	121.7	138.7	-84.5	-23	0	0	0	121.3
63	Y	24.1	Very low	25.8	Very low	217 Å²	217	164.1 Å²	164.1	85%	0.851	82%	0.823	S	S	*	*			trans	56.8	125.1	151.3	-69.6	-78.6	0	0	0	122.9
64	G	24.6	Very low	25.7	Very low	77 Å²	77	164.7 Å²	164.7	79%	0.794	82%	0.819	S	S	*	*			trans	133.4	99.5	148.5	0	0	0	0	0	115.9
65	A	24.5	Very low	25.6	Very low	97 Å²	97	169 Å²	169	80%	0.802	82%	0.824	S	S	*	*			trans	-77.8	152.6	148.2	0	0	0	0	0	107.5
66	P	32.9	Very low	25.5	Very low	103 Å²	103	166.3 Å²	166.3	67%	0.669	82%	0.821	S	S	*	*			cis	-155.5	175.3	47.9	37.9	-13.1	0	0	0	118.6
67	Y	23.2	Very low	25.4	Very low	216 Å²	216	167.4 Å²	167.4	85%	0.847	82%	0.819	S	S	*	*			trans	74.1	125.1	161.5	-59.7	-69.4	0	0	0	122.4
68	A	27.1	Very low	25.2	Very low	92 Å²	92	166.4 Å²	166.4	76%	0.76	82%	0.822	S	S	*	*			trans	54.7	101.3	139.2	0	0	0	0	0	119
69	M	23.2	Very low	25.1	Very low	192 Å²	192	163 Å²	163	95%	0.946	81%	0.812	S	S	*	*				-171.8	133.8	129.8	-98.7	-110.3	-92.7	0	0	109.8
70	G	29.1	Very low	25	Very low	70 Å²	70	165.2 Å²	165.2	72%	0.722	82%	0.815	S	S	*	*			trans	-68.8	157.4	-176.2	0	0	0	0	0	113.5
71	M	22.4	Very low	25	Very low	158 Å²	158	161.6 Å²	161.6	78%	0.778	81%	0.805	S	S	*	*			trans	-147.4	122.9	152.6	-95.9	-153	169.2	0	0	111.9
72	K	29.2	Very low	24.9	Very low	179 Å²	179	163 Å²	163	78%	0.778	81%	0.813	S	S	*	*				50.7	88.8	126	-61.5	-179.8	180	177.6	0	115.7	R74	K72-R74 PolarHBondContact O-N 3.16Å
73	R	25	Very low	25	Very low	250 Å²	250	163 Å²	163	94%	0.943	81%	0.813	S	S	*	*			trans	-64.5	113.3	155.5	-77.4	-173.9	176.2	171.7	-0.7	109.5	R75	R73-R75 PolarHBondContact O-N 3.24Å
74	R	22.6	Very low	25	Very low	225 Å²	225	162.6 Å²	162.6	85%	0.849	81%	0.811	S	S	*	*			trans	-41.6	119.8	154.4	-117.2	173.3	168.4	168.8	-5.2	109	K72 E76	K72-R74 PolarHBondContact O-N 3.16Å; R74-E76 PolarHBondContact O-N 3.4Å
75	R	24	Very low	25	Very low	242 Å²	242	168.8 Å²	168.8	91%	0.913	82%	0.817	S	S	*	*			trans	-77.3	100.3	161.6	-84.5	-179.4	176.2	170.2	-1.9	107.3	R73	R73-R75 PolarHBondContact O-N 3.24Å
76	E	22.9	Very low	24.9	Very low	171 Å²	171	171.7 Å²	171.7	80%	0.799	82%	0.818	S	S	*	*			trans	-79.3	116	153.8	-83.1	172.5	175.9	0	0	107.4	R74 C78	R74-E76 PolarHBondContact O-N 3.4Å; E76-C78 PolarHBondContact O-N 3.39Å
77	R	22.3	Very low	24.4	Very low	236 Å²	236	174.2 Å²	174.2	89%	0.891	83%	0.826	S	S	*	*			trans	-77	113.8	168.6	-71.9	177.5	-147.2	-168.2	3.7	107
78	C	23	Very low	24.5	Very low	130 Å²	130	168.9 Å²	168.9	88%	0.878	82%	0.815	S	S	*	*			trans	-82.3	116.7	151	-93.1	0	0	0	0	107.7	E76	E76-C78 PolarHBondContact O-N 3.39Å
79	S	23.6	Very low	24.4	Very low	99 Å²	99	176.2 Å²	176.2	69%	0.692	82%	0.824	S	S	*	*			trans	-68.9	127.3	167.3	-179.8	0	0	0	0	109.1
80	Y	25.7	Very low	24.5	Very low	219 Å²	219	174.1 Å²	174.1	86%	0.859	82%	0.816	S	S	*	*			trans	-134.5	123.9	155.1	-109.1	-90.9	0	0	0	106.9	D82	Y80-D82 PolarHBondContact O-N 3.07Å
81	D	25.5	Very low	24.4	Very low	131 Å²	131	178.5 Å²	178.5	70%	0.701	82%	0.823	S	S	*	*			trans	-64.4	108	178.2	-79.9	-47.5	0	0	0	110.4
82	D	24.5	Very low	24.6	Very low	162 Å²	162	176 Å²	176	87%	0.866	82%	0.822	S	S	*	*			trans	-120.3	73.8	154.1	-83.8	-29.9	0	0	0	107	Y80 Y84	Y80-D82 PolarHBondContact O-N 3.07Å; D82-Y84 PolarHBondContact O-N 3.47Å
83	Q	25.6	Very low	24.5	Very low	158 Å²	158	177 Å²	177	74%	0.738	83%	0.826	S	S	*	*			trans	-81.6	105.3	156.3	-79.1	-178	1.2	0	0	106.8
84	Y	24.7	Very low	24.6	Very low	208 Å²	208	171.8 Å²	171.8	82%	0.816	82%	0.822	S	S	*	*	S	Bend		176.9	132.2	126.4	-90.4	-69.8	0	0	0	108.4	D82	D82-Y84 PolarHBondContact O-N 3.47Å
85	F	24.1	Very low	24.8	Very low	207 Å²	207	169.8 Å²	169.8	91%	0.908	82%	0.822	S	S	*	*			trans	91.7	76.4	-178.9	-58.9	-76.9	0	0	0	117.4
86	L	22.4	Very low	25.3	Very low	158 Å²	158	168 Å²	168	83%	0.827	82%	0.824	S	S	*	*			trans	-131.8	130.9	141.4	-132.5	137.1	0	0	0	107.6
87	N	23.2	Very low	25.5	Very low	156 Å²	156	163.5 Å²	163.5	83%	0.834	82%	0.824	S	S	*	*			trans	165.7	117.6	163.4	-83.4	-10.3	0	0	0	102.8
88	V	25.2	Very low	26.2	Very low	103 Å²	103	161.4 Å²	161.4	62%	0.624	82%	0.824	S	S	*	*			cis	-149	146.6	20.6	168.9	0	0	0	0	102.9
89	W	25	Very low	26.5	Very low	247 Å²	247	162 Å²	162	94%	0.936	82%	0.824	S	S	*	*				-168.5	134.4	102.1	-77.8	99.9	0	0	0	108.9
90	D	23.9	Very low	26.8	Very low	148 Å²	148	164.7 Å²	164.7	79%	0.791	83%	0.831	S	S	*	*			trans	-75.2	151.9	-169.8	-165.4	8.7	0	0	0	112.3	S92	D90-S92 PolarHBondContact O-N 3.14Å
91	D	28.1	Very low	27.2	Very low	161 Å²	161	161.4 Å²	161.4	86%	0.861	83%	0.827	S	S	*	*			trans	-69.7	112.2	173.9	-85	-40.2	0	0	0	109.6
92	S	26.2	Very low	27.3	Very low	107 Å²	107	163.3 Å²	163.3	75%	0.748	84%	0.837	S	S	*	*			trans	-113.8	105.1	156	65.7	0	0	0	0	109.7	D90	D90-S92 PolarHBondContact O-N 3.14Å
93	K	28.1	Very low	27.9	Very low	200 Å²	200	159.9 Å²	159.9	87%	0.87	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-52.2	133.1	162.9	-70	178.9	175.8	178.1	0	109.5
94	T	26.1	Very low	28.4	Very low	140 Å²	140	161 Å²	161	86%	0.859	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-90.6	116.9	169.5	-33.7	0	0	0	0	108.2
95	E	27.3	Very low	28.6	Very low	183 Å²	183	158.6 Å²	158.6	86%	0.855	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-75.4	144.6	168.9	-72.1	-177	157.4	0	0	110.2
96	E	35	Very low	29.2	Very low	203 Å²	203	157.1 Å²	157.1	95%	0.949	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-69.2	133	169.7	-68.8	175.4	159.4	0	0	110
97	G	26.2	Very low	30.1	Very low	78 Å²	78	156.2 Å²	156.2	80%	0.804	84%	0.835	S	S	*	*			trans	-161.8	106.8	170.9	0	0	0	0	0	110.9
98	E	36.4	Very low	31.2	Very low	192 Å²	192	156.5 Å²	156.5	90%	0.897	83%	0.831	S	S	*	*			trans	-74.9	131.5	163.7	-73.7	178.8	149.8	0	0	109.8
99	T	29.9	Very low	33.1	Very low	142 Å²	142	157.7 Å²	157.7	87%	0.871	83%	0.83	S	S	*	*			trans	-175.6	104.8	131.6	40.4	0	0	0	0	109.9
100	D	29.7	Very low	36	Very low	155 Å²	155	152.1 Å²	152.1	83%	0.829	81%	0.813	S	S	*	*			trans	23.6	138	134.1	-88.2	-17.4	0	0	0	123.9
101	L	33.7	Very low	39.1	Very low	151 Å²	151	145.7 Å²	145.7	79%	0.791	78%	0.777	S	S	*	*			trans	80.3	97.8	156.6	-56.9	168.9	0	0	0	118.2
102	D	29	Very low	42.2	Very low	170 Å²	170	139.8 Å²	139.8	91%	0.909	74%	0.743	S	S	*	*				-164	131.3	110.5	-87.9	-28.3	0	0	0	110.6
103	A	35.2	Very low	45.3	Very low	90 Å²	90	138 Å²	138	74%	0.744	72%	0.722	S	S	*	*			trans	-87	148.4	-179.7	0	0	0	0	0	110.9
104	E	37.9	Very low	48.4	Very low	181 Å²	181	128.5 Å²	128.5	85%	0.846	68%	0.681	S	S	*	*			trans	79.7	84.4	164.4	-57.3	-178.1	178.9	0	0	116.9
105	N	27.6	Very low	51.6	Low	158 Å²	158	122.8 Å²	122.8	85%	0.845	65%	0.645	S	S	*	*	S	Bend		-157.7	126.8	126.5	-99.8	-24.9	0	0	0	110.9
106	E	36.3	Very low	54.7	Low	177 Å²	177	114 Å²	114	83%	0.827	61%	0.605	S	S	*	*			trans	40.5	107.4	163.1	-66.6	177.4	166.6	0	0	117.6	E108	E106-E108 VanDerWaalsContact C-N 3.34Å; E106-E108 PolarHBondContact O-N 2.78Å
107	T	41.1	Very low	57.2	Low	139 Å²	139	106.5 Å²	106.5	85%	0.853	57%	0.573	S	S	*	*			trans	-55	94.9	166.7	44.5	0	0	0	0	110.3	E109	T107-E109 PolarHBondContact O-N 3.22Å
108	E	48.3	Very low	60.1	Low	161 Å²	161	104.8 Å²	104.8	75%	0.752	55%	0.549	S	S	*	.			trans	-50.2	116.3	165.1	-73.8	-174.5	154.4	0	0	107.7	E106 K110	E106-E108 VanDerWaalsContact C-N 3.34Å; E106-E108 PolarHBondContact O-N 2.78Å; E108-K110 VanDerWaalsContact C-N 3.26Å; E108-K110 PolarHBondContact O-N 2.92Å
109	E	64.8	Low	62.3	Low	128 Å²	128	95.7 Å²	95.7	60%	0.598	51%	0.506	S	S	*	.			trans	-66.5	88	179.8	-71.2	-174.4	163.5	0	0	109.6	T107 W111 Q156	T107-E109 PolarHBondContact O-N 3.22Å; E109-W111 PolarHBondContact O-N 3.21Å; E109-Q156 PolarHBondContact OE2-NE2 3.33Å
110	K	85.2	Confident	64.9	Low	131 Å²	131	96.4 Å²	96.4	57%	0.57	49%	0.493	S	S	*	.			trans	-67.2	128.3	178.2	-69.2	177.1	-176	178.5	0	109.4	E108 Y112 N157	E108-K110 VanDerWaalsContact C-N 3.26Å; E108-K110 PolarHBondContact O-N 2.92Å; K110-Y112 HydrophobicContact CB-CE2 3.89Å; K110-Y112 WeakPolarHBondContact O-CD2 3.31Å; K110-Y112 VanDerWaalsContact O-CE2 3.23Å; K110-Y112 WeakPolarHBondContact O-CE2 3.45Å; K110-N157 PolarHBondContact O-N 3.18Å
111	W	89.5	Confident	67.5	Low	12 Å²	12	95.7 Å²	95.7	5%	0.045	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	147.3	179.6	-76.1	84.3	0	0	0	111.9	E109 V142 F154 Q156 S186 V188 P189 V192	E109-W111 PolarHBondContact O-N 3.21Å; W111-V142 HydrophobicContact CH2-CB 4.4Å; W111-V142 HydrophobicContact CH2-CG1 4.09Å; W111-V142 HydrophobicContact CH2-CG2 4.09Å; W111-V142 HydrophobicContact CZ3-CB 3.99Å; W111-V142 HydrophobicContact CZ3-CG1 3.97Å; W111-V142 HydrophobicContact CZ3-CG2 3.97Å; W111-F154 HydrophobicContact CE3-CB 3.96Å; W111-F154 HydrophobicContact CZ3-CB 4.08Å; W111-Q156 HydrophobicContact CD2-CG 3.79Å; W111-Q156 VanDerWaalsContact CE2-CG 3.49Å; W111-Q156 HydrophobicContact CE3-CG 3.89Å; W111-Q156 HydrophobicContact CH2-CG 3.5Å; W111-Q156 VanDerWaalsContact CZ2-CD 3.4Å; W111-Q156 HydrophobicContact CZ2-CG 3.37Å; W111-Q156 HydrophobicContact CZ3-CG 3.76Å; W111-S186 CarbonylContact C-O 3.53Å; W111-S186 WeakPolarHBondContact CB-O 3.36Å; W111-S186 PolarHBondContact O-N 2.74Å; W111-V188 HydrophobicContact CG-CB 4.5Å; W111-V188 HydrophobicContact CG-CG2 4.44Å; W111-V188 HydrophobicContact CZ2-CG1 4.38Å; W111-P189 HydrophobicContact CD2-CG 3.96Å; W111-P189 HydrophobicContact CE3-CG 3.44Å; W111-P189 VanDerWaalsContact CE3-CG 3.44Å; W111-P189 HydrophobicContact CH2-CG 4.28Å; W111-P189 HydrophobicContact CZ3-CG 3.62Å; W111-V192 HydrophobicContact CH2-CB 3.99Å; W111-V192 HydrophobicContact CH2-CG1 3.91Å; W111-V192 HydrophobicContact CH2-CG2 3.7Å; W111-V192 HydrophobicContact CZ2-CB 3.91Å; W111-V192 HydrophobicContact CZ2-CG1 3.51Å; W111-V192 HydrophobicContact CZ2-CG2 4.15Å; W111-V192 HydrophobicContact CZ3-CG2 4.5Å
112	Y	91.8	Very high	70	Confident	38 Å²	38	90.3 Å²	90.3	15%	0.149	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.9	178.8	-60.3	-93.8	0	0	0	109.7	K110 F154 V155 A158 A161 V183 S184 P185	K110-Y112 HydrophobicContact CB-CE2 3.89Å; K110-Y112 WeakPolarHBondContact O-CD2 3.31Å; K110-Y112 VanDerWaalsContact O-CE2 3.23Å; K110-Y112 WeakPolarHBondContact O-CE2 3.45Å; Y112-F154 VanDerWaalsContact O-CA 3.29Å; Y112-F154 WeakPolarHBondContact O-CA 3.42Å; Y112-V155 PolarHBondContact N-O 3.17Å; Y112-V155 PolarHBondContact O-N 2.82Å; Y112-A158 HydrophobicContact CE2-CB 4.12Å; Y112-A158 VanDerWaalsContact OH-CB 3.28Å; Y112-A158 WeakPolarHBondContact OH-CB 3.23Å; Y112-A161 HydrophobicContact CD1-CB 3.61Å; Y112-A161 HydrophobicContact CD2-CB 3.52Å; Y112-A161 HydrophobicContact CE1-CB 4.13Å; Y112-A161 HydrophobicContact CE2-CB 4.07Å; Y112-A161 HydrophobicContact CG-CB 3.28Å; Y112-V183 HydrophobicContact CD1-CG1 4.46Å; Y112-S184 CarbonylContact C-O 3.18Å; Y112-S184 WeakPolarHBondContact CA-O 3.49Å; Y112-P185 HydrophobicContact CE1-CG 4.37Å
113	K	92	Very high	72.5	Confident	70 Å²	70	88.2 Å²	88.2	30%	0.304	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	126.3	174.9	179.8	178.5	69.1	-167.8	0	109.1	F154 V183 S184	K113-F154 HydrophobicContact CB-CD1 3.79Å; K113-F154 HydrophobicContact CB-CE1 3.72Å; K113-F154 HydrophobicContact CD-CE1 4.05Å; K113-F154 HydrophobicContact CD-CZ 4.41Å; K113-F154 HydrophobicContact CG-CD1 4.13Å; K113-F154 HydrophobicContact CG-CE1 3.75Å; K113-F154 HydrophobicContact CG-CZ 4.31Å; K113-V183 WeakPolarHBondContact O-CA 3.4Å; K113-S184 PolarHBondContact N-O 2.86Å; K113-S184 PolarHBondContact O-N 2.88Å
114	V	94.1	Very high	74.9	Confident	0 Å²	0	89 Å²	89	0%	0	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127.9	175.4	-172	0	0	0	0	108.6	R152 F153 V155 L164 I181 F182 V183	V114-R152 VanDerWaalsContact O-CA 3.31Å; V114-R152 WeakPolarHBondContact O-CA 3.33Å; V114-F153 HydrophobicContact CB-CD1 4.06Å; V114-F153 HydrophobicContact CB-CD2 4.1Å; V114-F153 HydrophobicContact CB-CE1 3.76Å; V114-F153 HydrophobicContact CB-CE2 3.8Å; V114-F153 HydrophobicContact CB-CG 4.24Å; V114-F153 HydrophobicContact CB-CZ 3.63Å; V114-F153 HydrophobicContact CG1-CD1 4.28Å; V114-F153 HydrophobicContact CG1-CE1 3.53Å; V114-F153 HydrophobicContact CG1-CE2 4.12Å; V114-F153 HydrophobicContact CG1-CZ 3.45Å; V114-F153 VanDerWaalsContact CG1-CZ 3.45Å; V114-F153 HydrophobicContact CG2-CD2 4.15Å; V114-F153 HydrophobicContact CG2-CE2 3.7Å; V114-F153 HydrophobicContact CG2-CZ 3.93Å; V114-F153 PolarHBondContact N-O 3.13Å; V114-F153 PolarHBondContact O-N 2.86Å; V114-F153 VanDerWaalsContact O-N 3.16Å; V114-V155 HydrophobicContact CG2-CG2 4.17Å; V114-L164 HydrophobicContact CG2-CD1 3.93Å; V114-I181 HydrophobicContact CG1-CG2 3.56Å; V114-F182 CarbonylContact C-O 3.52Å; V114-F182 WeakPolarHBondContact CA-O 3.49Å; V114-V183 HydrophobicContact CG1-CG2 4.38Å; V114-V183 HydrophobicContact CG2-CG1 4.44Å; V114-V183 HydrophobicContact CG2-CG2 4.27Å
115	T	91.8	Very high	77.1	Confident	19 Å²	19	83.8 Å²	83.8	12%	0.117	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.9	-179.7	-58.7	0	0	0	0	109.7	Q150 R152 F182	T115-Q150 HydrophobicContact CG2-CB 4.27Å; T115-R152 HydrophobicContact CG2-CG 4.26Å; T115-F182 PolarHBondContact N-O 3.43Å; T115-F182 PolarHBondContact O-N 3.11Å
116	I	93.4	Very high	80.1	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	104.7	179	-56.2	172.4	0	0	0	107.5	G119 L127 I131 Q150 A151 F153 I179 I181	I116-G119 WeakPolarHBondContact O-CA 2.91Å; I116-G119 PolarHBondContact O-N 3.36Å; I116-L127 HydrophobicContact CD1-CD1 4.2Å; I116-L127 HydrophobicContact CD1-CD2 3.86Å; I116-L127 HydrophobicContact CD1-CG 4.14Å; I116-I131 HydrophobicContact CD1-CD1 3.47Å; I116-I131 VanDerWaalsContact CD1-CD1 3.47Å; I116-Q150 VanDerWaalsContact O-CA 3.3Å; I116-Q150 WeakPolarHBondContact O-CA 3.39Å; I116-A151 HydrophobicContact CB-CB 4.29Å; I116-A151 PolarHBondContact N-O 3.31Å; I116-A151 PolarHBondContact O-N 3.25Å; I116-F153 HydrophobicContact CD1-CE1 4.04Å; I116-I179 HydrophobicContact CG2-CG2 3.61Å; I116-I181 HydrophobicContact CG1-CG1 4.28Å; I116-I181 HydrophobicContact CG1-CG2 4.38Å
117	P	88.2	Confident	82.7	Confident	44 Å²	44	71.3 Å²	71.3	29%	0.286	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	141	177.1	-21	34.8	0	0	0	110.4	G119 A180 F182	P117-G119 PolarHBondContact O-N 3.01Å; P117-G119 VanDerWaalsContact O-N 3.09Å; P117-A180 VanDerWaalsContact CD-O 3.25Å; P117-A180 WeakPolarHBondContact CD-O 3.26Å; P117-F182 HydrophobicContact CG-CD2 3.66Å; P117-F182 HydrophobicContact CG-CE2 3.55Å
118	S	85.5	Confident	85	Confident	43 Å²	43	65.9 Å²	65.9	30%	0.301	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	12.5	-170.7	-56.2	0	0	0	0	114.4	R120 K121 T149	S118-R120 PolarHBondContact O-N 3.13Å; S118-R120 VanDerWaalsContact O-N 3.11Å; S118-K121 VanDerWaalsContact O-CB 3.31Å; S118-K121 WeakPolarHBondContact O-CB 3.45Å; S118-K121 WeakPolarHBondContact O-CG 3.29Å; S118-K121 PolarHBondContact O-N 3.16Å; S118-T149 CarbonylContact C-O 3.52Å; S118-T149 WeakPolarHBondContact CA-O 3.48Å; S118-T149 PolarHBondContact N-O 3.21Å; S118-T149 VanDerWaalsContact N-O 3.16Å
119	G	83	Confident	87	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-59.2	-24.9	-178.1	0	0	0	0	0	114	I116 P117 K121 Y122 T149	I116-G119 WeakPolarHBondContact O-CA 2.91Å; I116-G119 PolarHBondContact O-N 3.36Å; P117-G119 PolarHBondContact O-N 3.01Å; P117-G119 VanDerWaalsContact O-N 3.09Å; G119-K121 PolarHBondContact O-N 2.95Å; G119-Y122 PolarHBondContact O-N 3.38Å; G119-Y122 VanDerWaalsContact O-N 3.14Å; G119-T149 PolarHBondContact N-O 3.27Å
120	R	84.4	Confident	88.1	Confident	157 Å²	157	60.3 Å²	60.3	59%	0.592	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-64.4	-16.2	175.1	-169.7	172.1	-176.4	174.9	2.7	113.9	S118 Y122 Y146 K148 T149	S118-R120 PolarHBondContact O-N 3.13Å; S118-R120 VanDerWaalsContact O-N 3.11Å; R120-Y122 PolarHBondContact O-N 2.74Å; R120-Y146 HydrophobicContact CB-CD1 3.82Å; R120-Y146 HydrophobicContact CB-CE1 4.34Å; R120-Y146 HydrophobicContact CB-CG 4.34Å; R120-Y146 HydrophobicContact CG-CD1 4.04Å; R120-Y146 HydrophobicContact CG-CG 4.11Å; R120-K148 WeakPolarHBondContact CD-O 3.33Å; R120-K148 PolarHBondContact NH1-O 2.68Å; R120-T149 PolarHBondContact N-O 3.04Å
121	K	85.2	Confident	88.4	Confident	141 Å²	141	54 Å²	54	61%	0.613	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-71.3	-19.7	175.1	-64.9	-179.3	-176.3	170.1	0	112.9	S118 G119	S118-K121 VanDerWaalsContact O-CB 3.31Å; S118-K121 WeakPolarHBondContact O-CB 3.45Å; S118-K121 WeakPolarHBondContact O-CG 3.29Å; S118-K121 PolarHBondContact O-N 3.16Å; G119-K121 PolarHBondContact O-N 2.95Å
122	Y	84.9	Confident	88.5	Confident	38 Å²	38	56.5 Å²	56.5	15%	0.149	26%	0.257	C	S	.	.	S	Bend	trans	-108.8	144.1	-172.4	-50	-65	0	0	0	110.2	G119 R120 W126 L127 Y146 D173 I179	G119-Y122 PolarHBondContact O-N 3.38Å; G119-Y122 VanDerWaalsContact O-N 3.14Å; R120-Y122 PolarHBondContact O-N 2.74Å; Y122-W126 HydrophobicContact CD1-CE3 4.33Å; Y122-W126 HydrophobicContact CD1-CH2 4.28Å; Y122-W126 AromaticContact CD1-CZ3 3.69Å; Y122-W126 HydrophobicContact CD1-CZ3 3.69Å; Y122-W126 HydrophobicContact CE1-CZ3 4.41Å; Y122-W126 HydrophobicContact CG-CE3 4.27Å; Y122-W126 AromaticContact CG-CZ3 3.78Å; Y122-W126 HydrophobicContact CG-CZ3 3.78Å; Y122-L127 HydrophobicContact CD2-CD1 4.22Å; Y122-Y146 PolarHBondContact O-OH 3.35Å; Y122-D173 HydrophobicContact CE1-CB 3.52Å; Y122-D173 PolarHBondContact OH-OD2 3.02Å; Y122-I179 HydrophobicContact CD2-CD1 4.13Å; Y122-I179 HydrophobicContact CE1-CD1 4.28Å; Y122-I179 HydrophobicContact CE2-CD1 3.73Å; Y122-I179 HydrophobicContact CE2-CG1 4.09Å
123	E	83.3	Confident	88.4	Confident	125 Å²	125	60.4 Å²	60.4	58%	0.584	28%	0.28	S	S	*	.			trans	-64	139.7	174.4	-162.1	-152.7	140.1	0	0	110.4	T125 W126 L127	E123-T125 VanDerWaalsContact C-N 3.32Å; E123-T125 VanDerWaalsContact CD-OG1 3.26Å; E123-T125 PolarHBondContact O-N 3.39Å; E123-T125 PolarHBondContact OE1-OG1 2.65Å; E123-W126 HydrophobicContact CB-CB 4.18Å; E123-W126 PolarHBondContact O-N 3.4Å; E123-L127 VanDerWaalsContact O-CB 3.31Å; E123-L127 WeakPolarHBondContact O-CB 3.48Å; E123-L127 PolarHBondContact O-N 2.83Å
124	K	84.7	Confident	88.1	Confident	108 Å²	108	62.4 Å²	62.4	47%	0.47	29%	0.289	S	S	.	.	H	α-helix	trans	-53.7	-47.8	-177.6	176.9	-177.8	176.4	-175.4	0	111.6	L127 M128 F144 Y146	K124-L127 PolarHBondContact O-N 3.44Å; K124-M128 WeakPolarHBondContact O-CB 3.38Å; K124-M128 VanDerWaalsContact O-CG 3.29Å; K124-M128 WeakPolarHBondContact O-CG 3.47Å; K124-M128 PolarHBondContact O-N 3.12Å; K124-F144 HydrophobicContact CB-CE1 3.93Å; K124-F144 HydrophobicContact CB-CZ 4.34Å; K124-F144 HydrophobicContact CD-CD1 3.6Å; K124-F144 HydrophobicContact CD-CE1 3.83Å; K124-F144 HydrophobicContact CD-CG 4.35Å; K124-F144 HydrophobicContact CG-CD1 3.77Å; K124-F144 HydrophobicContact CG-CE1 3.59Å; K124-F144 HydrophobicContact CG-CG 4.39Å; K124-F144 HydrophobicContact CG-CZ 4.08Å; K124-Y146 PolarHBondContact N-OH 2.93Å
125	T	84.4	Confident	87.8	Confident	71 Å²	71	62.9 Å²	62.9	44%	0.436	29%	0.292	S	S	.	.	H	α-helix	trans	-67.9	-44	-174.7	72.5	0	0	0	0	111.4	E123 M128 R129	E123-T125 VanDerWaalsContact C-N 3.32Å; E123-T125 VanDerWaalsContact CD-OG1 3.26Å; E123-T125 PolarHBondContact O-N 3.39Å; E123-T125 PolarHBondContact OE1-OG1 2.65Å; T125-M128 PolarHBondContact O-N 2.68Å; T125-R129 VanDerWaalsContact O-CB 3.31Å; T125-R129 WeakPolarHBondContact O-CB 3.26Å; T125-R129 PolarHBondContact O-N 3.4Å
126	W	91.1	Very high	87.6	Confident	72 Å²	72	66.8 Å²	66.8	27%	0.273	32%	0.32	S	S	.	.	H	α-helix	trans	-61.8	-45.9	175.4	179	92.5	0	0	0	111.6	Y122 E123 M128 R129 S130 I171 I179	Y122-W126 HydrophobicContact CD1-CE3 4.33Å; Y122-W126 HydrophobicContact CD1-CH2 4.28Å; Y122-W126 AromaticContact CD1-CZ3 3.69Å; Y122-W126 HydrophobicContact CD1-CZ3 3.69Å; Y122-W126 HydrophobicContact CE1-CZ3 4.41Å; Y122-W126 HydrophobicContact CG-CE3 4.27Å; Y122-W126 AromaticContact CG-CZ3 3.78Å; Y122-W126 HydrophobicContact CG-CZ3 3.78Å; E123-W126 HydrophobicContact CB-CB 4.18Å; E123-W126 PolarHBondContact O-N 3.4Å; W126-M128 PolarHBondContact O-N 3.25Å; W126-R129 PolarHBondContact O-N 3.22Å; W126-S130 VanDerWaalsContact O-CB 3.23Å; W126-S130 WeakPolarHBondContact O-CB 3.36Å; W126-S130 PolarHBondContact O-N 2.93Å; W126-S130 PolarHBondContact O-OG 3.26Å; W126-I171 HydrophobicContact CH2-CG2 4.36Å; W126-I179 HydrophobicContact CH2-CD1 3.94Å; W126-I179 HydrophobicContact CZ3-CD1 3.93Å
127	L	89.1	Confident	87.2	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-63.2	-44.9	-178.8	-174.8	61.2	0	0	0	110.7	I116 Y122 E123 K124 S130 I131 A151 I179	I116-L127 HydrophobicContact CD1-CD1 4.2Å; I116-L127 HydrophobicContact CD1-CD2 3.86Å; I116-L127 HydrophobicContact CD1-CG 4.14Å; Y122-L127 HydrophobicContact CD2-CD1 4.22Å; E123-L127 VanDerWaalsContact O-CB 3.31Å; E123-L127 WeakPolarHBondContact O-CB 3.48Å; E123-L127 PolarHBondContact O-N 2.83Å; K124-L127 PolarHBondContact O-N 3.44Å; L127-S130 PolarHBondContact O-N 3.22Å; L127-I131 HydrophobicContact CD1-CD1 4.1Å; L127-I131 HydrophobicContact CG-CD1 3.94Å; L127-I131 WeakPolarHBondContact O-CD1 3.31Å; L127-I131 WeakPolarHBondContact O-CG1 3.46Å; L127-I131 PolarHBondContact O-N 3.18Å; L127-A151 HydrophobicContact CD2-CB 3.99Å; L127-I179 HydrophobicContact CD1-CD1 4.37Å
128	M	90.8	Very high	87.1	Confident	25 Å²	25	73.4 Å²	73.4	12%	0.123	36%	0.356	C	S	.	.	H	α-helix	trans	-65.8	-45.3	177.3	-69.1	-58.2	141	0	0	112.6	K124 T125 W126 S130 I131 Q132 F139 P141 F144 F153	K124-M128 WeakPolarHBondContact O-CB 3.38Å; K124-M128 VanDerWaalsContact O-CG 3.29Å; K124-M128 WeakPolarHBondContact O-CG 3.47Å; K124-M128 PolarHBondContact O-N 3.12Å; T125-M128 PolarHBondContact O-N 2.68Å; W126-M128 PolarHBondContact O-N 3.25Å; M128-S130 VanDerWaalsContact C-N 3.3Å; M128-S130 PolarHBondContact O-N 3.16Å; M128-I131 PolarHBondContact O-N 3.31Å; M128-Q132 WeakPolarHBondContact O-CB 3.32Å; M128-Q132 PolarHBondContact O-N 3.3Å; M128-F139 HydrophobicContact SD-CE2 4.12Å; M128-F139 HydrophobicContact SD-CZ 4.34Å; M128-P141 HydrophobicContact CE-CB 4.43Å; M128-P141 HydrophobicContact CG-CG 4.34Å; M128-P141 HydrophobicContact SD-CB 3.85Å; M128-P141 HydrophobicContact SD-CG 3.71Å; M128-F144 HydrophobicContact CE-CD2 3.16Å; M128-F144 HydrophobicContact CE-CE2 3.1Å; M128-F144 HydrophobicContact CE-CG 4.21Å; M128-F144 HydrophobicContact CE-CZ 4.12Å; M128-F153 HydrophobicContact CE-CD1 3.85Å; M128-F153 HydrophobicContact CE-CE1 3.84Å; M128-F153 HydrophobicContact CE-CG 4.48Å; M128-F153 HydrophobicContact CE-CZ 4.46Å
129	R	89.1	Confident	87.2	Confident	157 Å²	157	72.4 Å²	72.4	59%	0.592	35%	0.347	S	S	*	.	H	α-helix	trans	-61.1	-42.4	176.8	-172.2	-176.5	-67.6	129.1	-1.4	111.1	T125 W126 Q132 N133	T125-R129 VanDerWaalsContact O-CB 3.31Å; T125-R129 WeakPolarHBondContact O-CB 3.26Å; T125-R129 PolarHBondContact O-N 3.4Å; W126-R129 PolarHBondContact O-N 3.22Å; R129-Q132 PolarHBondContact O-N 2.76Å; R129-N133 WeakPolarHBondContact O-CB 3.26Å; R129-N133 PolarHBondContact O-N 3.42Å; R129-N133 PolarHBondContact O-ND2 3.13Å; R129-N133 PolarHBondContact O-OD1 3.32Å
130	S	89.3	Confident	87.2	Confident	15 Å²	15	79.3 Å²	79.3	11%	0.105	38%	0.382	C	S	.	.	H	α-helix	trans	-64.4	-44.7	178.3	-60.6	0	0	0	0	111.4	W126 L127 M128 N133 F134	W126-S130 VanDerWaalsContact O-CB 3.23Å; W126-S130 WeakPolarHBondContact O-CB 3.36Å; W126-S130 PolarHBondContact O-N 2.93Å; W126-S130 PolarHBondContact O-OG 3.26Å; L127-S130 PolarHBondContact O-N 3.22Å; M128-S130 VanDerWaalsContact C-N 3.3Å; M128-S130 PolarHBondContact O-N 3.16Å; S130-N133 PolarHBondContact O-N 2.78Å; S130-F134 WeakPolarHBondContact O-CD2 3.44Å
131	I	91.1	Very high	87.3	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-64	-44.2	176.6	-63.8	162.1	0	0	0	110.7	I116 L127 M128 N133 F134 C135 F139 F153 L164 V167 I171 I181	I116-I131 HydrophobicContact CD1-CD1 3.47Å; I116-I131 VanDerWaalsContact CD1-CD1 3.47Å; L127-I131 HydrophobicContact CD1-CD1 4.1Å; L127-I131 HydrophobicContact CG-CD1 3.94Å; L127-I131 WeakPolarHBondContact O-CD1 3.31Å; L127-I131 WeakPolarHBondContact O-CG1 3.46Å; L127-I131 PolarHBondContact O-N 3.18Å; M128-I131 PolarHBondContact O-N 3.31Å; I131-N133 VanDerWaalsContact C-N 3.34Å; I131-N133 PolarHBondContact O-N 2.93Å; I131-F134 PolarHBondContact O-N 3.37Å; I131-C135 WeakPolarHBondContact O-CB 3.38Å; I131-C135 PolarHBondContact O-N 3.1Å; I131-F139 HydrophobicContact CB-CE1 4.33Å; I131-F139 HydrophobicContact CB-CZ 4Å; I131-F139 HydrophobicContact CG2-CE1 3.65Å; I131-F139 HydrophobicContact CG2-CZ 3.51Å; I131-F153 HydrophobicContact CD1-CE1 4.49Å; I131-L164 HydrophobicContact CG2-CD2 3.34Å; I131-V167 HydrophobicContact CG2-CG1 4.45Å; I131-I171 HydrophobicContact CB-CD1 4.18Å; I131-I171 HydrophobicContact CG1-CD1 3.5Å; I131-I171 VanDerWaalsContact CG1-CD1 3.5Å; I131-I181 HydrophobicContact CD1-CD1 4.32Å; I131-I181 HydrophobicContact CG1-CD1 3.95Å; I131-I181 HydrophobicContact CG2-CD1 4.34Å
132	Q	91	Very high	87	Confident	63 Å²	63	68.6 Å²	68.6	29%	0.294	35%	0.347	S	S	.	.	H	α-helix	trans	-64.5	-35.2	-179.8	-172.1	58.8	76.8	0	0	113.1	M128 R129 F134 C135 E137 F139	M128-Q132 WeakPolarHBondContact O-CB 3.32Å; M128-Q132 PolarHBondContact O-N 3.3Å; R129-Q132 PolarHBondContact O-N 2.76Å; Q132-F134 VanDerWaalsContact C-N 3.27Å; Q132-F134 PolarHBondContact O-N 2.93Å; Q132-C135 PolarHBondContact O-N 3.43Å; Q132-E137 PolarHBondContact NE2-O 2.72Å; Q132-E137 VanDerWaalsContact NE2-O 3.1Å; Q132-F139 HydrophobicContact CB-CE1 4.13Å; Q132-F139 VanDerWaalsContact OE1-N 3.08Å
133	N	89.2	Confident	86.5	Confident	121 Å²	121	68.4 Å²	68.4	65%	0.647	35%	0.348	S	S	*	.	H	α-helix	trans	-63.7	-31.1	177.5	-74.9	-11.3	0	0	0	113.3	R129 S130 I131	R129-N133 WeakPolarHBondContact O-CB 3.26Å; R129-N133 PolarHBondContact O-N 3.42Å; R129-N133 PolarHBondContact O-ND2 3.13Å; R129-N133 PolarHBondContact O-OD1 3.32Å; S130-N133 PolarHBondContact O-N 2.78Å; I131-N133 VanDerWaalsContact C-N 3.34Å; I131-N133 PolarHBondContact O-N 2.93Å
134	F	85.9	Confident	86.5	Confident	112 Å²	112	63.9 Å²	63.9	49%	0.491	33%	0.327	S	S	.	.	H	α-helix	trans	-100.6	-14.4	-179.9	-72.9	-84.2	0	0	0	113.3	S130 I131 Q132 V167 R170 I171	S130-F134 WeakPolarHBondContact O-CD2 3.44Å; I131-F134 PolarHBondContact O-N 3.37Å; Q132-F134 VanDerWaalsContact C-N 3.27Å; Q132-F134 PolarHBondContact O-N 2.93Å; F134-V167 HydrophobicContact CB-CG1 3.91Å; F134-V167 HydrophobicContact CB-CG2 4.25Å; F134-R170 HydrophobicContact CD1-CB 4.32Å; F134-I171 HydrophobicContact CD2-CG1 3.94Å; F134-I171 HydrophobicContact CE2-CG1 4.5Å; F134-I171 HydrophobicContact CG-CG1 4.47Å
135	C	89.3	Confident	86.2	Confident	10 Å²	10	60.6 Å²	60.6	7%	0.068	31%	0.313	C	S	.	.			trans	-80.7	127.9	176.8	-168	0	0	0	0	109.7	I131 Q132 E137 F139 L164 V167	I131-C135 WeakPolarHBondContact O-CB 3.38Å; I131-C135 PolarHBondContact O-N 3.1Å; Q132-C135 PolarHBondContact O-N 3.43Å; C135-E137 VanDerWaalsContact C-N 3.26Å; C135-E137 PolarHBondContact O-N 3.08Å; C135-E137 PolarHBondContact SG-O 3.47Å; C135-F139 HydrophobicContact CB-CD1 4.39Å; C135-F139 HydrophobicContact CB-CE1 4.3Å; C135-L164 HydrophobicContact CB-CD2 4.44Å; C135-V167 HydrophobicContact CB-CG2 3.88Å
136	S	86.1	Confident	86.1	Confident	101 Å²	101	61.1 Å²	61.1	71%	0.706	31%	0.307	S	S	*	.	S	Bend	trans	-70.7	-23.8	177.9	54.8	0	0	0	0	113.1
137	E	85.7	Confident	85.2	Confident	81 Å²	81	60.1 Å²	60.1	38%	0.379	31%	0.307	S	S	.	.	S	Bend	trans	-104.6	137.1	180	-64.8	-63.2	141.9	0	0	110.6	Q132 C135 A163	Q132-E137 PolarHBondContact NE2-O 2.72Å; Q132-E137 VanDerWaalsContact NE2-O 3.1Å; C135-E137 VanDerWaalsContact C-N 3.26Å; C135-E137 PolarHBondContact O-N 3.08Å; C135-E137 PolarHBondContact SG-O 3.47Å; E137-A163 HydrophobicContact CB-CB 4.07Å; E137-A163 HydrophobicContact CG-CB 3.84Å
138	P	85.9	Confident	84.9	Confident	102 Å²	102	67.8 Å²	67.8	66%	0.662	34%	0.341	S	S	*	.			trans	-64.7	137.4	166.6	28.8	-32.4	0	0	0	109.5
139	F	87.9	Confident	84.6	Confident	22 Å²	22	70.9 Å²	70.9	10%	0.096	36%	0.361	C	S	.	.			trans	-137.7	150.3	176.3	73.6	-83.9	0	0	0	111.7	M128 I131 Q132 C135 P141 F153 V155 T160 L164	M128-F139 HydrophobicContact SD-CE2 4.12Å; M128-F139 HydrophobicContact SD-CZ 4.34Å; I131-F139 HydrophobicContact CB-CE1 4.33Å; I131-F139 HydrophobicContact CB-CZ 4Å; I131-F139 HydrophobicContact CG2-CE1 3.65Å; I131-F139 HydrophobicContact CG2-CZ 3.51Å; Q132-F139 HydrophobicContact CB-CE1 4.13Å; Q132-F139 VanDerWaalsContact OE1-N 3.08Å; C135-F139 HydrophobicContact CB-CD1 4.39Å; C135-F139 HydrophobicContact CB-CE1 4.3Å; F139-P141 HydrophobicContact CE2-CB 4.25Å; F139-P141 HydrophobicContact CE2-CG 4.45Å; F139-F153 HydrophobicContact CD2-CE2 4.03Å; F139-F153 AromaticContact CE2-CE2 3.67Å; F139-F153 HydrophobicContact CE2-CE2 3.67Å; F139-F153 AromaticContact CE2-CZ 3.94Å; F139-F153 HydrophobicContact CE2-CZ 3.94Å; F139-V155 HydrophobicContact CB-CG1 4.39Å; F139-V155 HydrophobicContact CD2-CG1 4.02Å; F139-T160 HydrophobicContact CB-CG2 3.4Å; F139-T160 HydrophobicContact CG-CG2 4.45Å; F139-L164 HydrophobicContact CD1-CD2 3.93Å; F139-L164 HydrophobicContact CD2-CD1 4.35Å; F139-L164 HydrophobicContact CE1-CD2 3.75Å; F139-L164 HydrophobicContact CE2-CD2 4.39Å; F139-L164 HydrophobicContact CG-CD1 4.35Å; F139-L164 HydrophobicContact CG-CD2 4.35Å; F139-L164 HydrophobicContact CZ-CD2 4Å
140	I	82.9	Confident	84.5	Confident	144 Å²	144	66 Å²	66	74%	0.738	35%	0.345	S	S	*	.			trans	-110.2	113.6	173.4	-58.9	175.5	0	0	0	107	V142	I140-V142 PolarHBondContact O-N 3.2Å
141	P	86	Confident	84.4	Confident	44 Å²	44	65.3 Å²	65.3	29%	0.286	34%	0.34	S	S	.	.			trans	-71	119.8	177.8	28.6	-33.9	0	0	0	110.3	M128 F139 F153	M128-P141 HydrophobicContact CE-CB 4.43Å; M128-P141 HydrophobicContact CG-CG 4.34Å; M128-P141 HydrophobicContact SD-CB 3.85Å; M128-P141 HydrophobicContact SD-CG 3.71Å; F139-P141 HydrophobicContact CE2-CB 4.25Å; F139-P141 HydrophobicContact CE2-CG 4.45Å; P141-F153 HydrophobicContact CB-CB 4.1Å; P141-F153 HydrophobicContact CB-CD2 3.58Å; P141-F153 HydrophobicContact CB-CE2 4.12Å; P141-F153 HydrophobicContact CB-CG 3.92Å
142	V	79.5	Confident	84.3	Confident	30 Å²	30	68 Å²	68	18%	0.182	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	136.8	177.4	174.9	0	0	0	0	110	W111 I140 F144 F153 F154 P189 V192	W111-V142 HydrophobicContact CH2-CB 4.4Å; W111-V142 HydrophobicContact CH2-CG1 4.09Å; W111-V142 HydrophobicContact CH2-CG2 4.09Å; W111-V142 HydrophobicContact CZ3-CB 3.99Å; W111-V142 HydrophobicContact CZ3-CG1 3.97Å; W111-V142 HydrophobicContact CZ3-CG2 3.97Å; I140-V142 PolarHBondContact O-N 3.2Å; V142-F144 VanDerWaalsContact C-N 3.34Å; V142-F144 PolarHBondContact O-N 2.78Å; V142-F153 CarbonylContact O-C 3.58Å; V142-F153 WeakPolarHBondContact O-CA 3.41Å; V142-F154 HydrophobicContact CB-CB 4.34Å; V142-F154 WeakPolarHBondContact CB-O 3.47Å; V142-F154 PolarHBondContact N-O 2.63Å; V142-F154 PolarHBondContact O-N 3.47Å; V142-P189 HydrophobicContact CG1-CG 4.49Å; V142-V192 HydrophobicContact CG1-CG2 3.31Å
143	D	74.2	Confident	84.3	Confident	34 Å²	34	65.1 Å²	65.1	18%	0.182	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	50.5	51.3	177.2	-169.5	22.6	0	0	0	113.1	H145 F154 S191 R242	D143-H145 PolarHBondContact O-N 3.11Å; D143-H145 PolarHBondContact O-ND1 3.06Å; D143-H145 IonicContact OD1-ND1 2.77Å; D143-F154 HydrophobicContact CB-CD2 4.02Å; D143-F154 HydrophobicContact CB-CE2 4.27Å; D143-S191 WeakPolarHBondContact CB-OG 3.47Å; D143-R242 IonicContact OD1-CZ 3.79Å; D143-R242 IonicContact OD1-NE 2.71Å; D143-R242 IonicContact OD1-NH1 2.87Å; D143-R242 PolarHBondContact OD1-NH1 2.82Å; D143-R242 IonicContact OD2-NH1 3.06Å
144	F	83	Confident	84.2	Confident	30 Å²	30	60.4 Å²	60.4	13%	0.132	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	121.9	174.5	-178.3	-87.1	0	0	0	110.4	K124 M128 V142 Y146 A151 R152 F153	K124-F144 HydrophobicContact CB-CE1 3.93Å; K124-F144 HydrophobicContact CB-CZ 4.34Å; K124-F144 HydrophobicContact CD-CD1 3.6Å; K124-F144 HydrophobicContact CD-CE1 3.83Å; K124-F144 HydrophobicContact CD-CG 4.35Å; K124-F144 HydrophobicContact CG-CD1 3.77Å; K124-F144 HydrophobicContact CG-CE1 3.59Å; K124-F144 HydrophobicContact CG-CG 4.39Å; K124-F144 HydrophobicContact CG-CZ 4.08Å; M128-F144 HydrophobicContact CE-CD2 3.16Å; M128-F144 HydrophobicContact CE-CE2 3.1Å; M128-F144 HydrophobicContact CE-CG 4.21Å; M128-F144 HydrophobicContact CE-CZ 4.12Å; V142-F144 VanDerWaalsContact C-N 3.34Å; V142-F144 PolarHBondContact O-N 2.78Å; F144-Y146 HydrophobicContact CE1-CD1 4.47Å; F144-Y146 HydrophobicContact CE1-CD2 4.44Å; F144-Y146 AromaticContact CE1-CE1 3.86Å; F144-Y146 HydrophobicContact CE1-CE1 3.86Å; F144-Y146 AromaticContact CE1-CE2 3.83Å; F144-Y146 HydrophobicContact CE1-CE2 3.83Å; F144-Y146 AromaticContact CE1-CZ 3.51Å; F144-Y146 HydrophobicContact CZ-CD1 4.36Å; F144-Y146 AromaticContact CZ-CE1 3.61Å; F144-Y146 HydrophobicContact CZ-CE1 3.61Å; F144-Y146 HydrophobicContact CZ-CE2 4.42Å; F144-Y146 AromaticContact CZ-CZ 3.65Å; F144-A151 HydrophobicContact CE2-CB 3.82Å; F144-A151 HydrophobicContact CZ-CB 3.82Å; F144-R152 CarbonylContact C-O 3.11Å; F144-R152 VanDerWaalsContact CA-O 3.29Å; F144-R152 WeakPolarHBondContact CA-O 3.21Å; F144-F153 HydrophobicContact CB-CB 4.12Å; F144-F153 HydrophobicContact CD2-CB 3.95Å; F144-F153 AromaticContact CD2-CD1 3.94Å; F144-F153 HydrophobicContact CD2-CD1 3.94Å; F144-F153 HydrophobicContact CD2-CG 4.28Å; F144-F153 HydrophobicContact CE2-CD1 4.31Å
145	H	79.4	Confident	84.4	Confident	38 Å²	38	55.1 Å²	55.1	18%	0.176	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	162.1	176.6	61.3	-80.4	0	0	0	111.3	D143 R152	D143-H145 PolarHBondContact O-N 3.11Å; D143-H145 PolarHBondContact O-ND1 3.06Å; D143-H145 IonicContact OD1-ND1 2.77Å; H145-R152 PolarHBondContact N-O 3.06Å; H145-R152 PolarHBondContact O-N 3.05Å
146	Y	81.2	Confident	84.2	Confident	82 Å²	82	58.3 Å²	58.3	32%	0.322	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	117.6	173.1	-62	-68.3	0	0	0	109.9	R120 Y122 K124 F144 Q150 A151	R120-Y146 HydrophobicContact CB-CD1 3.82Å; R120-Y146 HydrophobicContact CB-CE1 4.34Å; R120-Y146 HydrophobicContact CB-CG 4.34Å; R120-Y146 HydrophobicContact CG-CD1 4.04Å; R120-Y146 HydrophobicContact CG-CG 4.11Å; Y122-Y146 PolarHBondContact O-OH 3.35Å; K124-Y146 PolarHBondContact N-OH 2.93Å; F144-Y146 HydrophobicContact CE1-CD1 4.47Å; F144-Y146 HydrophobicContact CE1-CD2 4.44Å; F144-Y146 AromaticContact CE1-CE1 3.86Å; F144-Y146 HydrophobicContact CE1-CE1 3.86Å; F144-Y146 AromaticContact CE1-CE2 3.83Å; F144-Y146 HydrophobicContact CE1-CE2 3.83Å; F144-Y146 AromaticContact CE1-CZ 3.51Å; F144-Y146 HydrophobicContact CZ-CD1 4.36Å; F144-Y146 AromaticContact CZ-CE1 3.61Å; F144-Y146 HydrophobicContact CZ-CE1 3.61Å; F144-Y146 HydrophobicContact CZ-CE2 4.42Å; F144-Y146 AromaticContact CZ-CZ 3.65Å; Y146-Q150 CarbonylContact C-O 3.53Å; Y146-Q150 WeakPolarHBondContact CA-O 3.29Å; Y146-A151 HydrophobicContact CD1-CB 3.87Å; Y146-A151 HydrophobicContact CE1-CB 3.78Å
147	D	72.8	Confident	84.2	Confident	51 Å²	51	57.3 Å²	57.3	27%	0.273	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	111.6	169.1	-178.4	22.7	0	0	0	109.5	T149 Q150 R152	D147-T149 PolarHBondContact O-N 3.26Å; D147-Q150 PolarHBondContact N-O 3.23Å; D147-Q150 PolarHBondContact O-N 2.89Å; D147-R152 IonicContact OD2-CZ 3.58Å; D147-R152 IonicContact OD2-NH1 2.74Å; D147-R152 PolarHBondContact OD2-NH1 2.78Å; D147-R152 IonicContact OD2-NH2 3.64Å; D147-R152 PolarHBondContact OD2-NH2 3.01Å
148	K	83.6	Confident	84.2	Confident	162 Å²	162	55.8 Å²	55.8	70%	0.704	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	-101.3	-176.1	-62.2	169.6	-174.7	178	0	111.8	R120	R120-K148 WeakPolarHBondContact CD-O 3.33Å; R120-K148 PolarHBondContact NH1-O 2.68Å
149	T	84	Confident	84.4	Confident	89 Å²	89	58.1 Å²	58.1	55%	0.546	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-1.5	-180	58.5	0	0	0	0	112.7	S118 G119 R120 D147	S118-T149 CarbonylContact C-O 3.52Å; S118-T149 WeakPolarHBondContact CA-O 3.48Å; S118-T149 PolarHBondContact N-O 3.21Å; S118-T149 VanDerWaalsContact N-O 3.16Å; G119-T149 PolarHBondContact N-O 3.27Å; R120-T149 PolarHBondContact N-O 3.04Å; D147-T149 PolarHBondContact O-N 3.26Å
150	Q	85.9	Confident	84.5	Confident	56 Å²	56	57.8 Å²	57.8	26%	0.262	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	145.1	-171.6	-51.3	-177.5	-21	0	0	110.2	T115 I116 Y146 D147	T115-Q150 HydrophobicContact CG2-CB 4.27Å; I116-Q150 VanDerWaalsContact O-CA 3.3Å; I116-Q150 WeakPolarHBondContact O-CA 3.39Å; Y146-Q150 CarbonylContact C-O 3.53Å; Y146-Q150 WeakPolarHBondContact CA-O 3.29Å; D147-Q150 PolarHBondContact N-O 3.23Å; D147-Q150 PolarHBondContact O-N 2.89Å
151	A	88.3	Confident	84.8	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	136.7	163.6	0	0	0	0	0	108.8	I116 L127 F144 Y146	I116-A151 HydrophobicContact CB-CB 4.29Å; I116-A151 PolarHBondContact N-O 3.31Å; I116-A151 PolarHBondContact O-N 3.25Å; L127-A151 HydrophobicContact CD2-CB 3.99Å; F144-A151 HydrophobicContact CE2-CB 3.82Å; F144-A151 HydrophobicContact CZ-CB 3.82Å; Y146-A151 HydrophobicContact CD1-CB 3.87Å; Y146-A151 HydrophobicContact CE1-CB 3.78Å
152	R	89.4	Confident	85	Confident	57 Å²	57	52 Å²	52	22%	0.215	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	143.1	178.1	-67.2	-171.2	-173.8	147.6	15.1	110.8	V114 T115 F144 H145 D147	V114-R152 VanDerWaalsContact O-CA 3.31Å; V114-R152 WeakPolarHBondContact O-CA 3.33Å; T115-R152 HydrophobicContact CG2-CG 4.26Å; F144-R152 CarbonylContact C-O 3.11Å; F144-R152 VanDerWaalsContact CA-O 3.29Å; F144-R152 WeakPolarHBondContact CA-O 3.21Å; H145-R152 PolarHBondContact N-O 3.06Å; H145-R152 PolarHBondContact O-N 3.05Å; D147-R152 IonicContact OD2-CZ 3.58Å; D147-R152 IonicContact OD2-NH1 2.74Å; D147-R152 PolarHBondContact OD2-NH1 2.78Å; D147-R152 IonicContact OD2-NH2 3.64Å; D147-R152 PolarHBondContact OD2-NH2 3.01Å
153	F	89.9	Confident	85.5	Confident	1 Å²	1	50.9 Å²	50.9	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	175.3	170	62.7	-83.5	0	0	0	108.9	V114 I116 M128 I131 F139 P141 V142 F144 V155 L164	V114-F153 HydrophobicContact CB-CD1 4.06Å; V114-F153 HydrophobicContact CB-CD2 4.1Å; V114-F153 HydrophobicContact CB-CE1 3.76Å; V114-F153 HydrophobicContact CB-CE2 3.8Å; V114-F153 HydrophobicContact CB-CG 4.24Å; V114-F153 HydrophobicContact CB-CZ 3.63Å; V114-F153 HydrophobicContact CG1-CD1 4.28Å; V114-F153 HydrophobicContact CG1-CE1 3.53Å; V114-F153 HydrophobicContact CG1-CE2 4.12Å; V114-F153 HydrophobicContact CG1-CZ 3.45Å; V114-F153 VanDerWaalsContact CG1-CZ 3.45Å; V114-F153 HydrophobicContact CG2-CD2 4.15Å; V114-F153 HydrophobicContact CG2-CE2 3.7Å; V114-F153 HydrophobicContact CG2-CZ 3.93Å; V114-F153 PolarHBondContact N-O 3.13Å; V114-F153 PolarHBondContact O-N 2.86Å; V114-F153 VanDerWaalsContact O-N 3.16Å; I116-F153 HydrophobicContact CD1-CE1 4.04Å; M128-F153 HydrophobicContact CE-CD1 3.85Å; M128-F153 HydrophobicContact CE-CE1 3.84Å; M128-F153 HydrophobicContact CE-CG 4.48Å; M128-F153 HydrophobicContact CE-CZ 4.46Å; I131-F153 HydrophobicContact CD1-CE1 4.49Å; F139-F153 HydrophobicContact CD2-CE2 4.03Å; F139-F153 AromaticContact CE2-CE2 3.67Å; F139-F153 HydrophobicContact CE2-CE2 3.67Å; F139-F153 AromaticContact CE2-CZ 3.94Å; F139-F153 HydrophobicContact CE2-CZ 3.94Å; P141-F153 HydrophobicContact CB-CB 4.1Å; P141-F153 HydrophobicContact CB-CD2 3.58Å; P141-F153 HydrophobicContact CB-CE2 4.12Å; P141-F153 HydrophobicContact CB-CG 3.92Å; V142-F153 CarbonylContact O-C 3.58Å; V142-F153 WeakPolarHBondContact O-CA 3.41Å; F144-F153 HydrophobicContact CB-CB 4.12Å; F144-F153 HydrophobicContact CD2-CB 3.95Å; F144-F153 AromaticContact CD2-CD1 3.94Å; F144-F153 HydrophobicContact CD2-CD1 3.94Å; F144-F153 HydrophobicContact CD2-CG 4.28Å; F144-F153 HydrophobicContact CE2-CD1 4.31Å; F153-V155 HydrophobicContact CD2-CG1 4.02Å; F153-V155 HydrophobicContact CE2-CG1 3.8Å; F153-L164 HydrophobicContact CE2-CD1 4.23Å
154	F	88.1	Confident	86.3	Confident	22 Å²	22	49.3 Å²	49.3	10%	0.096	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	153.2	-178	-56.3	-97.6	0	0	0	110.7	W111 Y112 K113 V142 D143 P189	W111-F154 HydrophobicContact CE3-CB 3.96Å; W111-F154 HydrophobicContact CZ3-CB 4.08Å; Y112-F154 VanDerWaalsContact O-CA 3.29Å; Y112-F154 WeakPolarHBondContact O-CA 3.42Å; K113-F154 HydrophobicContact CB-CD1 3.79Å; K113-F154 HydrophobicContact CB-CE1 3.72Å; K113-F154 HydrophobicContact CD-CE1 4.05Å; K113-F154 HydrophobicContact CD-CZ 4.41Å; K113-F154 HydrophobicContact CG-CD1 4.13Å; K113-F154 HydrophobicContact CG-CE1 3.75Å; K113-F154 HydrophobicContact CG-CZ 4.31Å; V142-F154 HydrophobicContact CB-CB 4.34Å; V142-F154 WeakPolarHBondContact CB-O 3.47Å; V142-F154 PolarHBondContact N-O 2.63Å; V142-F154 PolarHBondContact O-N 3.47Å; D143-F154 HydrophobicContact CB-CD2 4.02Å; D143-F154 HydrophobicContact CB-CE2 4.27Å; F154-P189 HydrophobicContact CB-CB 4.29Å; F154-P189 HydrophobicContact CB-CG 3.34Å; F154-P189 HydrophobicContact CD1-CB 4.19Å; F154-P189 HydrophobicContact CD1-CG 3.59Å; F154-P189 HydrophobicContact CD2-CB 3.74Å; F154-P189 HydrophobicContact CD2-CG 3.73Å; F154-P189 HydrophobicContact CE1-CB 4.4Å; F154-P189 HydrophobicContact CE1-CG 4.22Å; F154-P189 HydrophobicContact CE2-CB 3.98Å; F154-P189 HydrophobicContact CE2-CG 4.35Å; F154-P189 HydrophobicContact CG-CB 3.84Å; F154-P189 HydrophobicContact CG-CG 3.29Å; F154-P189 HydrophobicContact CZ-CB 4.3Å
155	V	89.8	Confident	86.6	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.012	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	147.7	174.6	-63.6	0	0	0	0	109.6	Y112 V114 F139 F153 T160 A161 L164	Y112-V155 PolarHBondContact N-O 3.17Å; Y112-V155 PolarHBondContact O-N 2.82Å; V114-V155 HydrophobicContact CG2-CG2 4.17Å; F139-V155 HydrophobicContact CB-CG1 4.39Å; F139-V155 HydrophobicContact CD2-CG1 4.02Å; F153-V155 HydrophobicContact CD2-CG1 4.02Å; F153-V155 HydrophobicContact CE2-CG1 3.8Å; V155-T160 HydrophobicContact CB-CG2 4.39Å; V155-A161 HydrophobicContact CG2-CB 4.44Å; V155-L164 HydrophobicContact CB-CD1 4.46Å; V155-L164 HydrophobicContact CG1-CD1 3.8Å; V155-L164 HydrophobicContact CG2-CD1 3.95Å
156	Q	84.5	Confident	87.1	Confident	76 Å²	76	56.7 Å²	56.7	36%	0.355	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	158	166.9	-77.3	159.6	-37.4	0	0	109.5	E109 W111	E109-Q156 PolarHBondContact OE2-NE2 3.33Å; W111-Q156 HydrophobicContact CD2-CG 3.79Å; W111-Q156 VanDerWaalsContact CE2-CG 3.49Å; W111-Q156 HydrophobicContact CE3-CG 3.89Å; W111-Q156 HydrophobicContact CH2-CG 3.5Å; W111-Q156 VanDerWaalsContact CZ2-CD 3.4Å; W111-Q156 HydrophobicContact CZ2-CG 3.37Å; W111-Q156 HydrophobicContact CZ3-CG 3.76Å
157	N	85.9	Confident	87.5	Confident	80 Å²	80	52.9 Å²	52.9	43%	0.428	27%	0.269	S	S	.	.			trans	78.1	131	173.8	-164.6	-7.5	0	0	0	115.3	K110 K159 T160 A161	K110-N157 PolarHBondContact O-N 3.18Å; N157-K159 VanDerWaalsContact C-N 3.3Å; N157-K159 PolarHBondContact O-N 2.76Å; N157-K159 PolarHBondContact OD1-N 2.74Å; N157-K159 VanDerWaalsContact OD1-N 3.12Å; N157-T160 PolarHBondContact O-N 2.85Å; N157-A161 WeakPolarHBondContact O-CB 3.47Å; N157-A161 PolarHBondContact O-N 3.21Å; N157-A161 VanDerWaalsContact O-N 3.12Å
158	A	87.1	Confident	88.2	Confident	50 Å²	50	51.6 Å²	51.6	41%	0.413	26%	0.264	S	S	.	.	H	α-helix	trans	-63.8	-34.5	177.8	0	0	0	0	0	112.5	Y112 A161 S162	Y112-A158 HydrophobicContact CE2-CB 4.12Å; Y112-A158 VanDerWaalsContact OH-CB 3.28Å; Y112-A158 WeakPolarHBondContact OH-CB 3.23Å; A158-A161 PolarHBondContact O-N 2.99Å; A158-S162 WeakPolarHBondContact O-CB 3.37Å; A158-S162 PolarHBondContact O-N 3.45Å
159	K	89.4	Confident	88.3	Confident	151 Å²	151	49.7 Å²	49.7	66%	0.657	25%	0.254	S	S	*	.	H	α-helix	trans	-62.7	-49.2	179.8	-66	-176.2	-179.4	179.8	0	111.1	N157 S162 A163	N157-K159 VanDerWaalsContact C-N 3.3Å; N157-K159 PolarHBondContact O-N 2.76Å; N157-K159 PolarHBondContact OD1-N 2.74Å; N157-K159 VanDerWaalsContact OD1-N 3.12Å; K159-S162 PolarHBondContact O-N 3.14Å; K159-A163 PolarHBondContact O-N 2.98Å
160	T	89.3	Confident	88.4	Confident	14 Å²	14	52.6 Å²	52.6	9%	0.086	26%	0.255	C	S	.	.	H	α-helix	trans	-63.6	-42.1	176.8	-50.3	0	0	0	0	111.8	F139 V155 N157 S162 A163 L164	F139-T160 HydrophobicContact CB-CG2 3.4Å; F139-T160 HydrophobicContact CG-CG2 4.45Å; V155-T160 HydrophobicContact CB-CG2 4.39Å; N157-T160 PolarHBondContact O-N 2.85Å; T160-S162 VanDerWaalsContact C-N 3.34Å; T160-S162 PolarHBondContact O-N 3.45Å; T160-A163 PolarHBondContact O-N 2.93Å; T160-L164 HydrophobicContact CG2-CD1 4.36Å; T160-L164 WeakPolarHBondContact O-CG 3.35Å; T160-L164 PolarHBondContact O-N 3.1Å
161	A	89.9	Confident	88.4	Confident	5 Å²	5	50 Å²	50	4%	0.041	24%	0.243	C	C	.	.	H	α-helix	trans	-61.3	-40	175.8	0	0	0	0	0	112.8	Y112 V155 N157 A158 K165 V183	Y112-A161 HydrophobicContact CD1-CB 3.61Å; Y112-A161 HydrophobicContact CD2-CB 3.52Å; Y112-A161 HydrophobicContact CE1-CB 4.13Å; Y112-A161 HydrophobicContact CE2-CB 4.07Å; Y112-A161 HydrophobicContact CG-CB 3.28Å; V155-A161 HydrophobicContact CG2-CB 4.44Å; N157-A161 WeakPolarHBondContact O-CB 3.47Å; N157-A161 PolarHBondContact O-N 3.21Å; N157-A161 VanDerWaalsContact O-N 3.12Å; A158-A161 PolarHBondContact O-N 2.99Å; A161-K165 PolarHBondContact O-N 2.78Å; A161-K165 VanDerWaalsContact O-N 3.09Å; A161-V183 HydrophobicContact CB-CG1 3.83Å
162	S	89.8	Confident	88.2	Confident	63 Å²	63	53 Å²	53	44%	0.441	26%	0.263	S	S	.	.	H	α-helix	trans	-65.6	-47.2	174.5	-166	0	0	0	0	111.4	A158 K159 T160 L164 K165 D166	A158-S162 WeakPolarHBondContact O-CB 3.37Å; A158-S162 PolarHBondContact O-N 3.45Å; K159-S162 PolarHBondContact O-N 3.14Å; T160-S162 VanDerWaalsContact C-N 3.34Å; T160-S162 PolarHBondContact O-N 3.45Å; S162-L164 VanDerWaalsContact C-N 3.29Å; S162-L164 PolarHBondContact O-N 3.21Å; S162-K165 WeakPolarHBondContact O-CB 3.35Å; S162-K165 PolarHBondContact O-N 2.78Å; S162-D166 PolarHBondContact O-N 3.35Å
163	A	90.4	Very high	87.6	Confident	6 Å²	6	51.2 Å²	51.2	5%	0.05	26%	0.258	C	S	.	.	H	α-helix	trans	-57.7	-42.3	177.6	0	0	0	0	0	111.7	E137 K159 T160 K165 D166 V167	E137-A163 HydrophobicContact CB-CB 4.07Å; E137-A163 HydrophobicContact CG-CB 3.84Å; K159-A163 PolarHBondContact O-N 2.98Å; T160-A163 PolarHBondContact O-N 2.93Å; A163-K165 VanDerWaalsContact C-N 3.34Å; A163-K165 PolarHBondContact O-N 3.34Å; A163-D166 PolarHBondContact O-N 2.83Å; A163-V167 WeakPolarHBondContact O-CG2 3.44Å; A163-V167 PolarHBondContact O-N 3.14Å
164	L	90.5	Very high	86.8	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-66.9	-32.5	176.3	-74.2	173.2	0	0	0	113.5	V114 I131 C135 F139 F153 V155 T160 S162 D166 V167 V183	V114-L164 HydrophobicContact CG2-CD1 3.93Å; I131-L164 HydrophobicContact CG2-CD2 3.34Å; C135-L164 HydrophobicContact CB-CD2 4.44Å; F139-L164 HydrophobicContact CD1-CD2 3.93Å; F139-L164 HydrophobicContact CD2-CD1 4.35Å; F139-L164 HydrophobicContact CE1-CD2 3.75Å; F139-L164 HydrophobicContact CE2-CD2 4.39Å; F139-L164 HydrophobicContact CG-CD1 4.35Å; F139-L164 HydrophobicContact CG-CD2 4.35Å; F139-L164 HydrophobicContact CZ-CD2 4Å; F153-L164 HydrophobicContact CE2-CD1 4.23Å; V155-L164 HydrophobicContact CB-CD1 4.46Å; V155-L164 HydrophobicContact CG1-CD1 3.8Å; V155-L164 HydrophobicContact CG2-CD1 3.95Å; T160-L164 HydrophobicContact CG2-CD1 4.36Å; T160-L164 WeakPolarHBondContact O-CG 3.35Å; T160-L164 PolarHBondContact O-N 3.1Å; S162-L164 VanDerWaalsContact C-N 3.29Å; S162-L164 PolarHBondContact O-N 3.21Å; L164-D166 VanDerWaalsContact C-N 3.3Å; L164-V167 PolarHBondContact O-N 2.93Å; L164-V183 HydrophobicContact CB-CG2 4.01Å
165	K	90.1	Very high	86.4	Confident	132 Å²	132	63.1 Å²	63.1	57%	0.574	32%	0.319	S	S	*	.	H	α-helix	trans	-66	-37.1	173.8	-169.3	-179.6	178.1	-175.8	0	110.9	A161 S162 A163 V167 S168 V183	A161-K165 PolarHBondContact O-N 2.78Å; A161-K165 VanDerWaalsContact O-N 3.09Å; S162-K165 WeakPolarHBondContact O-CB 3.35Å; S162-K165 PolarHBondContact O-N 2.78Å; A163-K165 VanDerWaalsContact C-N 3.34Å; A163-K165 PolarHBondContact O-N 3.34Å; K165-V167 VanDerWaalsContact C-N 3.3Å; K165-V167 PolarHBondContact O-N 3.26Å; K165-S168 WeakPolarHBondContact O-CB 3.36Å; K165-S168 PolarHBondContact O-N 3.25Å; K165-V183 HydrophobicContact CB-CB 4.4Å; K165-V183 HydrophobicContact CB-CG2 4.15Å
166	D	89.1	Confident	85.8	Confident	91 Å²	91	67.8 Å²	67.8	49%	0.487	35%	0.352	S	S	.	.	H	α-helix	trans	-71.6	-24	179.3	-65.1	-26	0	0	0	113.1	S162 A163 L164 S168 R170	S162-D166 PolarHBondContact O-N 3.35Å; A163-D166 PolarHBondContact O-N 2.83Å; L164-D166 VanDerWaalsContact C-N 3.3Å; D166-S168 PolarHBondContact O-N 3.09Å; D166-R170 WeakPolarHBondContact O-CD 3.35Å; D166-R170 PolarHBondContact O-NE 3.17Å
167	V	89.7	Confident	85.6	Confident	2 Å²	2	72 Å²	72	1%	0.012	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-19.1	172.8	179.1	0	0	0	0	112.3	I131 F134 C135 A163 L164 K165 Y169 R170 I171 I181	I131-V167 HydrophobicContact CG2-CG1 4.45Å; F134-V167 HydrophobicContact CB-CG1 3.91Å; F134-V167 HydrophobicContact CB-CG2 4.25Å; C135-V167 HydrophobicContact CB-CG2 3.88Å; A163-V167 WeakPolarHBondContact O-CG2 3.44Å; A163-V167 PolarHBondContact O-N 3.14Å; L164-V167 PolarHBondContact O-N 2.93Å; K165-V167 VanDerWaalsContact C-N 3.3Å; K165-V167 PolarHBondContact O-N 3.26Å; V167-Y169 PolarHBondContact O-N 3.32Å; V167-R170 WeakPolarHBondContact O-CB 3.45Å; V167-R170 PolarHBondContact O-N 3.3Å; V167-I171 HydrophobicContact CG1-CD1 3.7Å; V167-I171 HydrophobicContact CG1-CG1 3.83Å; V167-I181 HydrophobicContact CB-CD1 4.1Å; V167-I181 HydrophobicContact CG1-CD1 3.71Å
168	S	88.7	Confident	85.7	Confident	24 Å²	24	74.8 Å²	74.8	17%	0.168	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	130	180	-160.9	0	0	0	0	111.4	K165 D166 R170 I181	K165-S168 WeakPolarHBondContact O-CB 3.36Å; K165-S168 PolarHBondContact O-N 3.25Å; D166-S168 PolarHBondContact O-N 3.09Å; S168-R170 PolarHBondContact O-N 2.95Å; S168-I181 WeakPolarHBondContact CB-O 3.21Å; S168-I181 PolarHBondContact OG-N 2.88Å; S168-I181 PolarHBondContact OG-O 3.47Å
169	Y	85.1	Confident	85.9	Confident	122 Å²	122	72.6 Å²	72.6	48%	0.478	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	7.9	-175.6	-54.6	-81.8	0	0	0	116.8	V167 K178 I179 A180	V167-Y169 PolarHBondContact O-N 3.32Å; Y169-K178 HydrophobicContact CD1-CB 3.93Å; Y169-K178 WeakPolarHBondContact O-CD 3.4Å; Y169-K178 WeakPolarHBondContact O-CG 3.48Å; Y169-I179 WeakPolarHBondContact CA-O 3.42Å; Y169-I179 PolarHBondContact N-O 3.2Å; Y169-A180 HydrophobicContact CD1-CB 4.42Å; Y169-A180 HydrophobicContact CE1-CB 3.76Å; Y169-A180 HydrophobicContact CE2-CB 4.26Å
170	R	85.5	Confident	85.8	Confident	150 Å²	150	66.2 Å²	66.2	57%	0.566	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-31	174.4	-59.2	-167.5	-174.8	-165.4	0.9	113.1	F134 D166 V167 S168	F134-R170 HydrophobicContact CD1-CB 4.32Å; D166-R170 WeakPolarHBondContact O-CD 3.35Å; D166-R170 PolarHBondContact O-NE 3.17Å; V167-R170 WeakPolarHBondContact O-CB 3.45Å; V167-R170 PolarHBondContact O-N 3.3Å; S168-R170 PolarHBondContact O-N 2.95Å
171	I	85.8	Confident	86	Confident	3 Å²	3	65.7 Å²	65.7	2%	0.015	33%	0.326	C	S	.	.			trans	-80.4	129.9	176.7	-50.4	170.7	0	0	0	108.5	W126 I131 F134 V167 K178 I179 I181	W126-I171 HydrophobicContact CH2-CG2 4.36Å; I131-I171 HydrophobicContact CB-CD1 4.18Å; I131-I171 HydrophobicContact CG1-CD1 3.5Å; I131-I171 VanDerWaalsContact CG1-CD1 3.5Å; F134-I171 HydrophobicContact CD2-CG1 3.94Å; F134-I171 HydrophobicContact CE2-CG1 4.5Å; F134-I171 HydrophobicContact CG-CG1 4.47Å; V167-I171 HydrophobicContact CG1-CD1 3.7Å; V167-I171 HydrophobicContact CG1-CG1 3.83Å; I171-K178 CarbonylContact O-C 3.4Å; I171-K178 WeakPolarHBondContact O-CA 3.22Å; I171-I179 HydrophobicContact CB-CB 4.3Å; I171-I179 HydrophobicContact CB-CD1 4.33Å; I171-I179 HydrophobicContact CB-CG1 4.5Å; I171-I179 HydrophobicContact CG2-CD1 3.81Å; I171-I179 HydrophobicContact CG2-CG1 4.41Å; I171-I179 PolarHBondContact O-N 3.31Å; I171-I181 HydrophobicContact CD1-CD1 4.16Å
172	C	84.2	Confident	86.1	Confident	63 Å²	63	70.5 Å²	70.5	43%	0.426	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-107.8	136.7	171.3	-63.8	0	0	0	0	109.4	R177	C172-R177 WeakPolarHBondContact CA-O 3.29Å
173	D	77.1	Confident	86.2	Confident	19 Å²	19	68.9 Å²	68.9	10%	0.102	33%	0.334	C	S	.	.			trans	-76.9	176	168.6	70	16.7	0	0	0	111.9	Y122 T175 S176 R177	Y122-D173 HydrophobicContact CE1-CB 3.52Å; Y122-D173 PolarHBondContact OH-OD2 3.02Å; D173-T175 VanDerWaalsContact CG-OG1 3.31Å; D173-T175 PolarHBondContact O-N 3.44Å; D173-T175 VanDerWaalsContact OD1-CA 3.3Å; D173-T175 WeakPolarHBondContact OD1-CA 3.24Å; D173-T175 WeakPolarHBondContact OD1-CB 3.46Å; D173-T175 PolarHBondContact OD1-N 3.36Å; D173-T175 PolarHBondContact OD1-OG1 2.93Å; D173-T175 PolarHBondContact OD2-OG1 3.15Å; D173-S176 WeakPolarHBondContact O-CA 3.27Å; D173-S176 PolarHBondContact O-N 2.92Å; D173-S176 PolarHBondContact OD1-N 3.26Å; D173-R177 PolarHBondContact N-O 3.38Å; D173-R177 WeakPolarHBondContact OD1-CB 3.48Å; D173-R177 PolarHBondContact OD1-N 3.44Å
174	E	73.9	Confident	86.2	Confident	185 Å²	185	70.5 Å²	70.5	86%	0.864	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-20.7	179.1	-61.4	176.3	179.8	0	0	113	S176	E174-S176 VanDerWaalsContact C-N 3.31Å
175	T	78.9	Confident	86.2	Confident	87 Å²	87	75.8 Å²	75.8	53%	0.534	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	12.7	174.7	70.6	0	0	0	0	113.2	D173 R177	D173-T175 VanDerWaalsContact CG-OG1 3.31Å; D173-T175 PolarHBondContact O-N 3.44Å; D173-T175 VanDerWaalsContact OD1-CA 3.3Å; D173-T175 WeakPolarHBondContact OD1-CA 3.24Å; D173-T175 WeakPolarHBondContact OD1-CB 3.46Å; D173-T175 PolarHBondContact OD1-N 3.36Å; D173-T175 PolarHBondContact OD1-OG1 2.93Å; D173-T175 PolarHBondContact OD2-OG1 3.15Å; T175-R177 PolarHBondContact O-N 2.98Å; T175-R177 WeakPolarHBondContact OG1-CD 3.32Å; T175-R177 WeakPolarHBondContact OG1-CG 3.49Å
176	S	76.4	Confident	85.9	Confident	100 Å²	100	71.1 Å²	71.1	70%	0.699	36%	0.363	S	S	*	.			trans	59.2	20.1	-174.6	-58.2	0	0	0	0	114.4	D173 E174	D173-S176 WeakPolarHBondContact O-CA 3.27Å; D173-S176 PolarHBondContact O-N 2.92Å; D173-S176 PolarHBondContact OD1-N 3.26Å; E174-S176 VanDerWaalsContact C-N 3.31Å
177	R	81.6	Confident	85.4	Confident	164 Å²	164	72.3 Å²	72.3	62%	0.619	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-84.6	132.1	174.6	-67.8	176.8	176.8	156.4	0.1	109.8	C172 D173 T175	C172-R177 WeakPolarHBondContact CA-O 3.29Å; D173-R177 PolarHBondContact N-O 3.38Å; D173-R177 WeakPolarHBondContact OD1-CB 3.48Å; D173-R177 PolarHBondContact OD1-N 3.44Å; T175-R177 PolarHBondContact O-N 2.98Å; T175-R177 WeakPolarHBondContact OG1-CD 3.32Å; T175-R177 WeakPolarHBondContact OG1-CG 3.49Å
178	K	87.9	Confident	84.8	Confident	139 Å²	139	74.7 Å²	74.7	60%	0.604	39%	0.388	S	S	*	.	B	Isolated β-bridge	trans	-73.2	126.1	177.9	-67.7	179.3	174	-171	0	110.5	Y169 I171	Y169-K178 HydrophobicContact CD1-CB 3.93Å; Y169-K178 WeakPolarHBondContact O-CD 3.4Å; Y169-K178 WeakPolarHBondContact O-CG 3.48Å; I171-K178 CarbonylContact O-C 3.4Å; I171-K178 WeakPolarHBondContact O-CA 3.22Å
179	I	90.3	Very high	83.9	Confident	5 Å²	5	73.7 Å²	73.7	3%	0.026	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-80.9	122.3	178.9	-58.6	-178.5	0	0	0	109.1	I116 Y122 W126 L127 Y169 I171	I116-I179 HydrophobicContact CG2-CG2 3.61Å; Y122-I179 HydrophobicContact CD2-CD1 4.13Å; Y122-I179 HydrophobicContact CE1-CD1 4.28Å; Y122-I179 HydrophobicContact CE2-CD1 3.73Å; Y122-I179 HydrophobicContact CE2-CG1 4.09Å; W126-I179 HydrophobicContact CH2-CD1 3.94Å; W126-I179 HydrophobicContact CZ3-CD1 3.93Å; L127-I179 HydrophobicContact CD1-CD1 4.37Å; Y169-I179 WeakPolarHBondContact CA-O 3.42Å; Y169-I179 PolarHBondContact N-O 3.2Å; I171-I179 HydrophobicContact CB-CB 4.3Å; I171-I179 HydrophobicContact CB-CD1 4.33Å; I171-I179 HydrophobicContact CB-CG1 4.5Å; I171-I179 HydrophobicContact CG2-CD1 3.81Å; I171-I179 HydrophobicContact CG2-CG1 4.41Å; I171-I179 PolarHBondContact O-N 3.31Å
180	A	88.3	Confident	82.7	Confident	16 Å²	16	75.1 Å²	75.1	13%	0.132	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-82.9	131.3	173.2	0	0	0	0	0	110.4	P117 Y169 F182	P117-A180 VanDerWaalsContact CD-O 3.25Å; P117-A180 WeakPolarHBondContact CD-O 3.26Å; Y169-A180 HydrophobicContact CD1-CB 4.42Å; Y169-A180 HydrophobicContact CE1-CB 3.76Å; Y169-A180 HydrophobicContact CE2-CB 4.26Å; A180-F182 HydrophobicContact CB-CD2 4.47Å; A180-F182 HydrophobicContact CB-CE2 3.68Å; A180-F182 HydrophobicContact CB-CZ 4.22Å
181	I	92.7	Very high	81.3	Confident	3 Å²	3	69.1 Å²	69.1	2%	0.015	37%	0.368	C	S	.	.			trans	-117	126.8	173	-54.2	-179.8	0	0	0	107.6	V114 I116 I131 V167 S168 I171 V183	V114-I181 HydrophobicContact CG1-CG2 3.56Å; I116-I181 HydrophobicContact CG1-CG1 4.28Å; I116-I181 HydrophobicContact CG1-CG2 4.38Å; I131-I181 HydrophobicContact CD1-CD1 4.32Å; I131-I181 HydrophobicContact CG1-CD1 3.95Å; I131-I181 HydrophobicContact CG2-CD1 4.34Å; V167-I181 HydrophobicContact CB-CD1 4.1Å; V167-I181 HydrophobicContact CG1-CD1 3.71Å; S168-I181 WeakPolarHBondContact CB-O 3.21Å; S168-I181 PolarHBondContact OG-N 2.88Å; S168-I181 PolarHBondContact OG-O 3.47Å; I171-I181 HydrophobicContact CD1-CD1 4.16Å; I181-V183 HydrophobicContact CG2-CG2 4.31Å
182	F	91.6	Very high	80	Confident	106 Å²	106	71.9 Å²	71.9	47%	0.465	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.1	176.8	-66.1	-85.4	0	0	0	109.5	V114 T115 P117 A180	V114-F182 CarbonylContact C-O 3.52Å; V114-F182 WeakPolarHBondContact CA-O 3.49Å; T115-F182 PolarHBondContact N-O 3.43Å; T115-F182 PolarHBondContact O-N 3.11Å; P117-F182 HydrophobicContact CG-CD2 3.66Å; P117-F182 HydrophobicContact CG-CE2 3.55Å; A180-F182 HydrophobicContact CB-CD2 4.47Å; A180-F182 HydrophobicContact CB-CE2 3.68Å; A180-F182 HydrophobicContact CB-CZ 4.22Å
183	V	93.3	Very high	78.8	Confident	29 Å²	29	72.3 Å²	72.3	18%	0.176	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.9	177.4	-171.6	0	0	0	0	108.3	Y112 K113 V114 A161 L164 K165 I181	Y112-V183 HydrophobicContact CD1-CG1 4.46Å; K113-V183 WeakPolarHBondContact O-CA 3.4Å; V114-V183 HydrophobicContact CG1-CG2 4.38Å; V114-V183 HydrophobicContact CG2-CG1 4.44Å; V114-V183 HydrophobicContact CG2-CG2 4.27Å; A161-V183 HydrophobicContact CB-CG1 3.83Å; L164-V183 HydrophobicContact CB-CG2 4.01Å; K165-V183 HydrophobicContact CB-CB 4.4Å; K165-V183 HydrophobicContact CB-CG2 4.15Å; I181-V183 HydrophobicContact CG2-CG2 4.31Å
184	S	90.4	Very high	77.7	Confident	41 Å²	41	76.3 Å²	76.3	29%	0.287	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.8	178.3	60.9	0	0	0	0	110.3	Y112 K113 S186	Y112-S184 CarbonylContact C-O 3.18Å; Y112-S184 WeakPolarHBondContact CA-O 3.49Å; K113-S184 PolarHBondContact N-O 2.86Å; K113-S184 PolarHBondContact O-N 2.88Å; S184-S186 PolarHBondContact O-N 3.44Å
185	P	90.4	Very high	77.1	Confident	111 Å²	111	71.9 Å²	71.9	72%	0.721	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-51.5	142	167.6	-23.6	33.6	0	0	0	110.7	Y112	Y112-P185 HydrophobicContact CE1-CG 4.37Å
186	S	83.3	Confident	77	Confident	33 Å²	33	69 Å²	69	23%	0.231	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	149.8	-179	-172.4	0	0	0	0	110	W111 S184	W111-S186 CarbonylContact C-O 3.53Å; W111-S186 WeakPolarHBondContact CB-O 3.36Å; W111-S186 PolarHBondContact O-N 2.74Å; S184-S186 PolarHBondContact O-N 3.44Å
187	V	78.4	Confident	77.3	Confident	116 Å²	116	67.9 Å²	67.9	70%	0.703	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-63	158.6	158.4	-62.9	0	0	0	0	109.5
188	V	76.2	Confident	77.5	Confident	53 Å²	53	65.1 Å²	65.1	32%	0.321	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-47.5	129.2	176.1	-175.2	0	0	0	0	109.7	W111 V192 Q193	W111-V188 HydrophobicContact CG-CB 4.5Å; W111-V188 HydrophobicContact CG-CG2 4.44Å; W111-V188 HydrophobicContact CZ2-CG1 4.38Å; V188-V192 HydrophobicContact CG1-CB 4.16Å; V188-V192 HydrophobicContact CG1-CG1 4.34Å; V188-Q193 HydrophobicContact CB-CG 3.97Å; V188-Q193 HydrophobicContact CG1-CG 3.89Å
189	P	71	Confident	77.4	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.019	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-58.9	144.6	179.3	-21.6	31.9	0	0	0	111.1	W111 V142 F154 S191 V192 Q193	W111-P189 HydrophobicContact CD2-CG 3.96Å; W111-P189 HydrophobicContact CE3-CG 3.44Å; W111-P189 VanDerWaalsContact CE3-CG 3.44Å; W111-P189 HydrophobicContact CH2-CG 4.28Å; W111-P189 HydrophobicContact CZ3-CG 3.62Å; V142-P189 HydrophobicContact CG1-CG 4.49Å; F154-P189 HydrophobicContact CB-CB 4.29Å; F154-P189 HydrophobicContact CB-CG 3.34Å; F154-P189 HydrophobicContact CD1-CB 4.19Å; F154-P189 HydrophobicContact CD1-CG 3.59Å; F154-P189 HydrophobicContact CD2-CB 3.74Å; F154-P189 HydrophobicContact CD2-CG 3.73Å; F154-P189 HydrophobicContact CE1-CB 4.4Å; F154-P189 HydrophobicContact CE1-CG 4.22Å; F154-P189 HydrophobicContact CE2-CB 3.98Å; F154-P189 HydrophobicContact CE2-CG 4.35Å; F154-P189 HydrophobicContact CG-CB 3.84Å; F154-P189 HydrophobicContact CG-CG 3.29Å; F154-P189 HydrophobicContact CZ-CB 4.3Å; P189-S191 PolarHBondContact O-N 3.25Å; P189-S191 VanDerWaalsContact O-N 3.09Å; P189-V192 CarbonylContact O-C 3.59Å; P189-V192 PolarHBondContact O-N 3.34Å; P189-Q193 PolarHBondContact O-N 3.23Å
190	Y	60.3	Low	77.3	Confident	151 Å²	151	66.7 Å²	66.7	59%	0.592	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.3	179.8	-76.7	-67	0	0	0	114.3	V192 S243	Y190-V192 VanDerWaalsContact C-N 3.32Å; Y190-S243 WeakPolarHBondContact O-CB 3.36Å
191	S	56.2	Low	77.4	Confident	24 Å²	24	67.9 Å²	67.9	17%	0.168	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-23	173.9	55.9	0	0	0	0	114	D143 P189	D143-S191 WeakPolarHBondContact CB-OG 3.47Å; P189-S191 PolarHBondContact O-N 3.25Å; P189-S191 VanDerWaalsContact O-N 3.09Å
192	V	57.6	Low	77.4	Confident	61 Å²	61	72.3 Å²	72.3	37%	0.37	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-17.1	-180	-174.1	0	0	0	0	112	W111 V142 V188 P189 Y190 N194	W111-V192 HydrophobicContact CH2-CB 3.99Å; W111-V192 HydrophobicContact CH2-CG1 3.91Å; W111-V192 HydrophobicContact CH2-CG2 3.7Å; W111-V192 HydrophobicContact CZ2-CB 3.91Å; W111-V192 HydrophobicContact CZ2-CG1 3.51Å; W111-V192 HydrophobicContact CZ2-CG2 4.15Å; W111-V192 HydrophobicContact CZ3-CG2 4.5Å; V142-V192 HydrophobicContact CG1-CG2 3.31Å; V188-V192 HydrophobicContact CG1-CB 4.16Å; V188-V192 HydrophobicContact CG1-CG1 4.34Å; P189-V192 CarbonylContact O-C 3.59Å; P189-V192 PolarHBondContact O-N 3.34Å; Y190-V192 VanDerWaalsContact C-N 3.32Å; V192-N194 PolarHBondContact O-N 3.01Å
193	Q	58.9	Low	77.5	Confident	72 Å²	72	70.2 Å²	70.2	34%	0.336	38%	0.378	S	S	.	.			trans	-64.4	78.6	150.5	-76.1	-175.7	-21.8	0	0	108	V188 P189 K195	V188-Q193 HydrophobicContact CB-CG 3.97Å; V188-Q193 HydrophobicContact CG1-CG 3.89Å; P189-Q193 PolarHBondContact O-N 3.23Å; Q193-K195 HydrophobicContact CB-CG 4.49Å; Q193-K195 PolarHBondContact O-N 3.22Å
194	N	54	Low	77.5	Confident	104 Å²	104	68.9 Å²	68.9	56%	0.556	37%	0.369	S	S	*	.			trans	-55.8	94.9	148.9	-81	-14	0	0	0	105.3	V192 F196	V192-N194 PolarHBondContact O-N 3.01Å; N194-F196 PolarHBondContact O-N 3.3Å
195	K	62	Low	77.7	Confident	92 Å²	92	70.9 Å²	70.9	40%	0.4	37%	0.371	S	S	.	.			trans	-64.7	-16.7	176.3	-77.8	-168	174	-171.1	0	111.6	Q193	Q193-K195 HydrophobicContact CB-CG 4.49Å; Q193-K195 PolarHBondContact O-N 3.22Å
196	F	75.7	Confident	77.9	Confident	25 Å²	25	70.7 Å²	70.7	11%	0.11	36%	0.36	C	S	.	.	S	Bend	trans	-102.8	127.4	-174.7	-55.2	-61.7	0	0	0	110	N194 Q200 M201 I204 I235 M237 A247	N194-F196 PolarHBondContact O-N 3.3Å; F196-Q200 VanDerWaalsContact CA-OE1 3.28Å; F196-Q200 HydrophobicContact CB-CB 3.88Å; F196-Q200 HydrophobicContact CD1-CB 4.22Å; F196-Q200 HydrophobicContact CG-CB 4.5Å; F196-M201 HydrophobicContact CB-CG 3.98Å; F196-M201 HydrophobicContact CB-SD 3.91Å; F196-M201 HydrophobicContact CD2-SD 4.37Å; F196-I204 HydrophobicContact CB-CD1 4.21Å; F196-I204 HydrophobicContact CD1-CD1 3.9Å; F196-I204 HydrophobicContact CD2-CD1 3.89Å; F196-I204 HydrophobicContact CE1-CD1 4.32Å; F196-I204 HydrophobicContact CE2-CD1 4.31Å; F196-I204 HydrophobicContact CG-CD1 3.69Å; F196-I235 HydrophobicContact CD1-CG2 4.33Å; F196-I235 HydrophobicContact CE1-CG2 4.05Å; F196-M237 HydrophobicContact CD1-CE 4.23Å; F196-M237 HydrophobicContact CD2-CE 4.36Å; F196-M237 HydrophobicContact CE1-CE 3.45Å; F196-M237 VanDerWaalsContact CE1-CE 3.45Å; F196-M237 HydrophobicContact CE2-CE 3.61Å; F196-M237 HydrophobicContact CE2-SD 3.98Å; F196-M237 HydrophobicContact CZ-CE 3.1Å; F196-M237 HydrophobicContact CZ-SD 3.89Å; F196-A247 HydrophobicContact CD2-CB 4.22Å; F196-A247 HydrophobicContact CE2-CB 4.48Å
197	T	83.9	Confident	78.5	Confident	78 Å²	78	69.1 Å²	69.1	48%	0.479	35%	0.349	S	S	.	.			trans	-63	162.5	167.7	65	0	0	0	0	109.9	E199 Q200 M201	T197-E199 PolarHBondContact O-N 3.35Å; T197-Q200 PolarHBondContact O-N 3.09Å; T197-Q200 WeakPolarHBondContact OG1-CG 3.17Å; T197-Q200 PolarHBondContact OG1-N 2.95Å; T197-Q200 PolarHBondContact OG1-OE1 3.15Å; T197-M201 PolarHBondContact O-N 3.31Å
198	S	84.4	Confident	79.4	Confident	106 Å²	106	63.6 Å²	63.6	74%	0.741	32%	0.316	S	S	*	.	H	α-helix	trans	-54.8	-36.1	174.5	-55.3	0	0	0	0	112.1	M201 E202	S198-M201 PolarHBondContact O-N 3.34Å; S198-E202 PolarHBondContact O-N 3.39Å; S198-E202 VanDerWaalsContact O-N 3.17Å
199	E	86.9	Confident	80.3	Confident	122 Å²	122	63.6 Å²	63.6	57%	0.57	31%	0.313	S	S	*	.	H	α-helix	trans	-65.8	-44.2	175	-163.9	-168.3	165.4	0	0	112.1	T197 M201 E202 Y203	T197-E199 PolarHBondContact O-N 3.35Å; E199-M201 VanDerWaalsContact C-N 3.29Å; E199-M201 PolarHBondContact O-N 3.26Å; E199-E202 WeakPolarHBondContact O-CB 3.31Å; E199-E202 PolarHBondContact O-N 3.03Å; E199-Y203 HydrophobicContact CG-CD2 4.39Å; E199-Y203 HydrophobicContact CG-CE2 3.66Å; E199-Y203 VanDerWaalsContact O-CD2 3.22Å; E199-Y203 WeakPolarHBondContact O-CD2 3.41Å; E199-Y203 PolarHBondContact O-N 3.3Å; E199-Y203 WeakPolarHBondContact OE1-CE2 3.27Å; E199-Y203 PolarHBondContact OE1-OH 3.44Å
200	Q	88.8	Confident	81.4	Confident	55 Å²	55	68.4 Å²	68.4	26%	0.257	34%	0.338	S	S	.	.	H	α-helix	trans	-64	-36.2	176.1	-72.5	173.1	-38.2	0	0	112.1	F196 T197 E202 Y203 I204 I235	F196-Q200 VanDerWaalsContact CA-OE1 3.28Å; F196-Q200 HydrophobicContact CB-CB 3.88Å; F196-Q200 HydrophobicContact CD1-CB 4.22Å; F196-Q200 HydrophobicContact CG-CB 4.5Å; T197-Q200 PolarHBondContact O-N 3.09Å; T197-Q200 WeakPolarHBondContact OG1-CG 3.17Å; T197-Q200 PolarHBondContact OG1-N 2.95Å; T197-Q200 PolarHBondContact OG1-OE1 3.15Å; Q200-E202 VanDerWaalsContact C-N 3.31Å; Q200-E202 PolarHBondContact O-N 3.1Å; Q200-Y203 PolarHBondContact O-N 3.19Å; Q200-I204 WeakPolarHBondContact O-CD1 3.38Å; Q200-I204 WeakPolarHBondContact O-CG1 3.46Å; Q200-I204 PolarHBondContact O-N 3.31Å; Q200-I235 HydrophobicContact CB-CD1 4.13Å; Q200-I235 HydrophobicContact CG-CD1 4.08Å; Q200-I235 HydrophobicContact CG-CG1 4.27Å
201	M	90.1	Very high	83.1	Confident	40 Å²	40	64.3 Å²	64.3	20%	0.197	32%	0.322	C	S	.	.	H	α-helix	trans	-62.2	-38.5	174.4	-75.1	-62.2	-62.7	0	0	112.1	F196 T197 S198 E199 I204 R205 A247 I251	F196-M201 HydrophobicContact CB-CG 3.98Å; F196-M201 HydrophobicContact CB-SD 3.91Å; F196-M201 HydrophobicContact CD2-SD 4.37Å; T197-M201 PolarHBondContact O-N 3.31Å; S198-M201 PolarHBondContact O-N 3.34Å; E199-M201 VanDerWaalsContact C-N 3.29Å; E199-M201 PolarHBondContact O-N 3.26Å; M201-I204 PolarHBondContact O-N 2.8Å; M201-I204 HydrophobicContact SD-CD1 4.26Å; M201-R205 VanDerWaalsContact O-CB 3.28Å; M201-R205 WeakPolarHBondContact O-CB 3.18Å; M201-R205 PolarHBondContact O-N 2.86Å; M201-A247 HydrophobicContact CE-CB 4.2Å; M201-A247 HydrophobicContact SD-CB 3.98Å; M201-I251 HydrophobicContact CE-CD1 3.85Å; M201-I251 HydrophobicContact CE-CG1 3.87Å
202	E	91.9	Very high	85	Confident	97 Å²	97	65.7 Å²	65.7	45%	0.453	32%	0.324	S	S	.	.	H	α-helix	trans	-64.5	-41.7	174.8	-72.6	-58.8	134	0	0	112.4	S198 E199 Q200 R205 E206	S198-E202 PolarHBondContact O-N 3.39Å; S198-E202 VanDerWaalsContact O-N 3.17Å; E199-E202 WeakPolarHBondContact O-CB 3.31Å; E199-E202 PolarHBondContact O-N 3.03Å; Q200-E202 VanDerWaalsContact C-N 3.31Å; Q200-E202 PolarHBondContact O-N 3.1Å; E202-R205 WeakPolarHBondContact O-CB 3.36Å; E202-R205 PolarHBondContact O-N 2.55Å; E202-R205 IonicContact OE1-NE 2.65Å; E202-R205 IonicContact OE2-CZ 2.78Å; E202-R205 IonicContact OE2-NE 3.45Å; E202-R205 PolarHBondContact OE2-NE 2.93Å; E202-R205 IonicContact OE2-NH2 3.37Å; E202-R205 PolarHBondContact OE2-NH2 3.48Å; E202-E206 WeakPolarHBondContact O-CB 3.37Å; E202-E206 PolarHBondContact O-N 2.86Å
203	Y	93.4	Very high	86.9	Confident	62 Å²	62	66.2 Å²	66.2	24%	0.243	33%	0.325	C	S	.	.	H	α-helix	trans	-65.2	-39.7	175.2	-65.3	-55.1	0	0	0	112.4	E199 Q200 R205 E206 S207 K233 I235	E199-Y203 HydrophobicContact CG-CD2 4.39Å; E199-Y203 HydrophobicContact CG-CE2 3.66Å; E199-Y203 VanDerWaalsContact O-CD2 3.22Å; E199-Y203 WeakPolarHBondContact O-CD2 3.41Å; E199-Y203 PolarHBondContact O-N 3.3Å; E199-Y203 WeakPolarHBondContact OE1-CE2 3.27Å; E199-Y203 PolarHBondContact OE1-OH 3.44Å; Q200-Y203 PolarHBondContact O-N 3.19Å; Y203-R205 VanDerWaalsContact C-N 3.32Å; Y203-E206 PolarHBondContact O-N 2.93Å; Y203-S207 WeakPolarHBondContact O-CB 3.31Å; Y203-S207 PolarHBondContact O-N 3.12Å; Y203-K233 HydrophobicContact CD1-CD 4.47Å; Y203-K233 HydrophobicContact CD1-CG 4.39Å; Y203-K233 HydrophobicContact CE1-CD 4.22Å; Y203-K233 HydrophobicContact CE2-CD 4.38Å; Y203-K233 HydrophobicContact CG-CG 4.35Å; Y203-I235 HydrophobicContact CD2-CD1 3.93Å; Y203-I235 HydrophobicContact CG-CD1 4.19Å
204	I	94.3	Very high	88.5	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-63.4	-43.3	175	-62.8	159.5	0	0	0	110.1	F196 Q200 M201 S207 M208 F224 L230 I235 M237 I251	F196-I204 HydrophobicContact CB-CD1 4.21Å; F196-I204 HydrophobicContact CD1-CD1 3.9Å; F196-I204 HydrophobicContact CD2-CD1 3.89Å; F196-I204 HydrophobicContact CE1-CD1 4.32Å; F196-I204 HydrophobicContact CE2-CD1 4.31Å; F196-I204 HydrophobicContact CG-CD1 3.69Å; Q200-I204 WeakPolarHBondContact O-CD1 3.38Å; Q200-I204 WeakPolarHBondContact O-CG1 3.46Å; Q200-I204 PolarHBondContact O-N 3.31Å; M201-I204 PolarHBondContact O-N 2.8Å; M201-I204 HydrophobicContact SD-CD1 4.26Å; I204-S207 PolarHBondContact O-N 3.08Å; I204-M208 HydrophobicContact CG2-CG 4.44Å; I204-M208 HydrophobicContact CG2-SD 4Å; I204-M208 WeakPolarHBondContact O-CB 3.48Å; I204-M208 VanDerWaalsContact O-CG 3.29Å; I204-M208 WeakPolarHBondContact O-CG 3.32Å; I204-M208 PolarHBondContact O-N 2.79Å; I204-F224 HydrophobicContact CG2-CE1 4.41Å; I204-F224 HydrophobicContact CG2-CZ 4.42Å; I204-L230 HydrophobicContact CG1-CD2 4.13Å; I204-I235 HydrophobicContact CD1-CG2 4.1Å; I204-I235 HydrophobicContact CG1-CG2 3.93Å; I204-M237 HydrophobicContact CD1-CE 3.43Å; I204-M237 VanDerWaalsContact CD1-CE 3.43Å; I204-M237 HydrophobicContact CD1-SD 4.43Å; I204-M237 HydrophobicContact CG1-CE 3.84Å; I204-I251 HydrophobicContact CB-CD1 4.1Å; I204-I251 HydrophobicContact CG2-CD1 3.58Å
205	R	94.7	Very high	90.5	Very high	84 Å²	84	65.4 Å²	65.4	32%	0.317	34%	0.339	S	S	.	.	H	α-helix	trans	-58.8	-49.3	176.6	-171.9	-173.8	66.8	68.7	5.6	111.2	M201 E202 Y203 M208 M209 I251 D255	M201-R205 VanDerWaalsContact O-CB 3.28Å; M201-R205 WeakPolarHBondContact O-CB 3.18Å; M201-R205 PolarHBondContact O-N 2.86Å; E202-R205 WeakPolarHBondContact O-CB 3.36Å; E202-R205 PolarHBondContact O-N 2.55Å; E202-R205 IonicContact OE1-NE 2.65Å; E202-R205 IonicContact OE2-CZ 2.78Å; E202-R205 IonicContact OE2-NE 3.45Å; E202-R205 PolarHBondContact OE2-NE 2.93Å; E202-R205 IonicContact OE2-NH2 3.37Å; E202-R205 PolarHBondContact OE2-NH2 3.48Å; Y203-R205 VanDerWaalsContact C-N 3.32Å; R205-M208 PolarHBondContact O-N 3.42Å; R205-M209 VanDerWaalsContact O-CG 3.32Å; R205-M209 WeakPolarHBondContact O-CG 3.45Å; R205-M209 PolarHBondContact O-N 2.94Å; R205-I251 HydrophobicContact CB-CD1 4.32Å; R205-I251 HydrophobicContact CB-CG2 4.47Å; R205-I251 HydrophobicContact CG-CG2 4.11Å; R205-D255 WeakPolarHBondContact CD-OD2 3.19Å; R205-D255 WeakPolarHBondContact CG-OD2 3.3Å
206	E	94.4	Very high	92	Very high	107 Å²	107	67 Å²	67	50%	0.5	35%	0.348	S	S	.	.	H	α-helix	trans	-58.9	-49	178.3	-172	175.3	-169.6	0	0	111.9	E202 Y203 M208 M209 N210	E202-E206 WeakPolarHBondContact O-CB 3.37Å; E202-E206 PolarHBondContact O-N 2.86Å; Y203-E206 PolarHBondContact O-N 2.93Å; E206-M208 VanDerWaalsContact C-N 3.32Å; E206-M208 PolarHBondContact O-N 3.37Å; E206-M209 PolarHBondContact O-N 2.98Å; E206-M209 VanDerWaalsContact O-N 3.15Å; E206-N210 PolarHBondContact O-N 2.83Å
207	S	95.8	Very high	92.9	Very high	0 Å²	0	69 Å²	69	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-59.6	-40.1	176.6	175.4	0	0	0	0	112.4	Y203 I204 N210 R211 F224 D227	Y203-S207 WeakPolarHBondContact O-CB 3.31Å; Y203-S207 PolarHBondContact O-N 3.12Å; I204-S207 PolarHBondContact O-N 3.08Å; S207-N210 PolarHBondContact O-N 3.05Å; S207-R211 PolarHBondContact O-N 3.02Å; S207-F224 WeakPolarHBondContact OG-CE2 2.98Å; S207-D227 PolarHBondContact OG-OD1 3.4Å
208	M	96.1	Very high	93.6	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-66.1	-41	175.1	-72.9	177.8	63.7	0	0	112.3	I204 R205 E206 N210 R211 Y212 L219 L221 F224 T248 I251 I252	I204-M208 HydrophobicContact CG2-CG 4.44Å; I204-M208 HydrophobicContact CG2-SD 4Å; I204-M208 WeakPolarHBondContact O-CB 3.48Å; I204-M208 VanDerWaalsContact O-CG 3.29Å; I204-M208 WeakPolarHBondContact O-CG 3.32Å; I204-M208 PolarHBondContact O-N 2.79Å; R205-M208 PolarHBondContact O-N 3.42Å; E206-M208 VanDerWaalsContact C-N 3.32Å; E206-M208 PolarHBondContact O-N 3.37Å; M208-N210 VanDerWaalsContact C-N 3.33Å; M208-R211 CarbonylContact O-C 3.55Å; M208-R211 PolarHBondContact O-N 3.14Å; M208-R211 VanDerWaalsContact O-N 3.16Å; M208-Y212 PolarHBondContact O-N 2.94Å; M208-Y212 VanDerWaalsContact O-N 3.14Å; M208-L219 HydrophobicContact CB-CD1 4.48Å; M208-L219 HydrophobicContact CE-CD2 3.77Å; M208-L219 VanDerWaalsContact O-CD1 3.24Å; M208-L219 WeakPolarHBondContact O-CD1 3.43Å; M208-L221 HydrophobicContact CG-CD2 4.19Å; M208-F224 HydrophobicContact CG-CE1 4.24Å; M208-F224 HydrophobicContact CG-CE2 4.29Å; M208-F224 HydrophobicContact CG-CZ 3.6Å; M208-T248 HydrophobicContact CE-CG2 3.55Å; M208-T248 HydrophobicContact SD-CG2 4.02Å; M208-I251 HydrophobicContact CE-CB 3.99Å; M208-I251 HydrophobicContact CE-CG2 3.78Å; M208-I251 HydrophobicContact SD-CB 3.93Å; M208-I251 HydrophobicContact SD-CD1 3.63Å; M208-I251 HydrophobicContact SD-CG1 4.39Å; M208-I251 HydrophobicContact SD-CG2 3.79Å; M208-I252 HydrophobicContact CE-CD1 4.32Å; M208-I252 HydrophobicContact CE-CG1 3.86Å
209	M	94.9	Very high	94.2	Very high	52 Å²	52	61.4 Å²	61.4	26%	0.256	31%	0.308	S	S	.	.	H	α-helix	trans	-67.8	-33.9	178	-67.8	-56.7	109.8	0	0	112	R205 E206 R211 Y212 I251 D255 I256	R205-M209 VanDerWaalsContact O-CG 3.32Å; R205-M209 WeakPolarHBondContact O-CG 3.45Å; R205-M209 PolarHBondContact O-N 2.94Å; E206-M209 PolarHBondContact O-N 2.98Å; E206-M209 VanDerWaalsContact O-N 3.15Å; M209-R211 PolarHBondContact O-N 3.39Å; M209-Y212 PolarHBondContact O-N 2.9Å; M209-Y212 VanDerWaalsContact O-N 3.17Å; M209-I251 HydrophobicContact CE-CG2 4.26Å; M209-D255 HydrophobicContact CE-CB 4.03Å; M209-D255 HydrophobicContact SD-CB 4.39Å; M209-I256 HydrophobicContact CE-CD1 3.88Å; M209-I256 HydrophobicContact CE-CG1 4.18Å; M209-I256 HydrophobicContact CE-CG2 4.13Å; M209-I256 HydrophobicContact SD-CG2 4.26Å
210	N	94.9	Very high	94.7	Very high	105 Å²	105	58.7 Å²	58.7	56%	0.561	30%	0.297	S	S	*	.	H	α-helix	trans	-63.2	-27.4	172.9	-71.5	-18.2	0	0	0	112.6	E206 S207 M208 D229	E206-N210 PolarHBondContact O-N 2.83Å; S207-N210 PolarHBondContact O-N 3.05Å; M208-N210 VanDerWaalsContact C-N 3.33Å; N210-D229 PolarHBondContact ND2-OD2 3.25Å
211	R	95.8	Very high	95.1	Very high	65 Å²	65	56 Å²	56	25%	0.245	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	2.9	178.3	-70.7	169.4	168.3	-96.7	-0.2	113.8	S207 M208 M209 L219 D220 E222 D227	S207-R211 PolarHBondContact O-N 3.02Å; M208-R211 CarbonylContact O-C 3.55Å; M208-R211 PolarHBondContact O-N 3.14Å; M208-R211 VanDerWaalsContact O-N 3.16Å; M209-R211 PolarHBondContact O-N 3.39Å; R211-L219 HydrophobicContact CB-CD1 4.47Å; R211-D220 WeakPolarHBondContact CB-O 3.38Å; R211-D220 WeakPolarHBondContact CD-O 3.44Å; R211-D220 PolarHBondContact NH1-O 2.92Å; R211-D220 PolarHBondContact O-N 3.29Å; R211-D220 VanDerWaalsContact O-N 3.1Å; R211-E222 PolarHBondContact NH1-O 3.17Å; R211-D227 IonicContact CZ-OD2 3.77Å; R211-D227 IonicContact NE-OD2 3.28Å; R211-D227 PolarHBondContact NE-OD2 3.38Å; R211-D227 IonicContact NH2-OD2 2.68Å; R211-D227 PolarHBondContact NH2-OD2 3.14Å
212	Y	97.2	Very high	95.5	Very high	52 Å²	52	57.1 Å²	57.1	20%	0.204	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	123.6	179.7	178.2	-111.9	0	0	0	110.9	M208 M209 A214 A218 L219 I256 L259	M208-Y212 PolarHBondContact O-N 2.94Å; M208-Y212 VanDerWaalsContact O-N 3.14Å; M209-Y212 PolarHBondContact O-N 2.9Å; M209-Y212 VanDerWaalsContact O-N 3.17Å; Y212-A214 HydrophobicContact CD1-CB 4.41Å; Y212-A214 HydrophobicContact CE1-CB 3.91Å; Y212-A218 WeakPolarHBondContact CD2-O 3.47Å; Y212-L219 HydrophobicContact CD2-CB 4.25Å; Y212-L219 HydrophobicContact CD2-CD1 4.46Å; Y212-I256 HydrophobicContact CD1-CG2 4.04Å; Y212-I256 HydrophobicContact CD2-CD1 4.09Å; Y212-I256 HydrophobicContact CD2-CG2 4.25Å; Y212-I256 HydrophobicContact CE1-CG2 3.76Å; Y212-I256 HydrophobicContact CE2-CB 4.4Å; Y212-I256 HydrophobicContact CE2-CD1 4.38Å; Y212-I256 HydrophobicContact CE2-CG2 3.99Å; Y212-I256 HydrophobicContact CG-CG2 4.27Å; Y212-L259 HydrophobicContact CD2-CD1 4.2Å; Y212-L259 HydrophobicContact CE2-CD1 3.79Å
213	D	96.2	Very high	95.6	Very high	73 Å²	73	56.8 Å²	56.8	39%	0.39	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	105.4	170.1	-176.3	-12.5	0	0	0	109.8	S215 Q216 K217 A218	D213-S215 PolarHBondContact O-N 3.06Å; D213-S215 WeakPolarHBondContact OD1-CA 3.49Å; D213-S215 VanDerWaalsContact OD1-CB 3.32Å; D213-S215 WeakPolarHBondContact OD1-CB 3.4Å; D213-S215 PolarHBondContact OD1-N 2.95Å; D213-S215 PolarHBondContact OD1-OG 3.38Å; D213-S215 PolarHBondContact OD2-OG 3.37Å; D213-Q216 PolarHBondContact O-N 2.89Å; D213-Q216 PolarHBondContact OD1-N 2.88Å; D213-Q216 WeakPolarHBondContact OD2-CG 3.35Å; D213-K217 VanDerWaalsContact O-CA 3.27Å; D213-K217 WeakPolarHBondContact O-CA 3.21Å; D213-K217 PolarHBondContact O-N 3.31Å; D213-A218 PolarHBondContact N-O 2.65Å; D213-A218 PolarHBondContact O-N 3.06Å; D213-A218 VanDerWaalsContact O-N 3.09Å
214	A	93.8	Very high	95.7	Very high	71 Å²	71	53.8 Å²	53.8	59%	0.587	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.4	178.7	0	0	0	0	0	113.7	Y212	Y212-A214 HydrophobicContact CD1-CB 4.41Å; Y212-A214 HydrophobicContact CE1-CB 3.91Å
215	S	94.6	Very high	95.6	Very high	88 Å²	88	58.2 Å²	58.2	62%	0.615	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-41.1	-179	76.5	0	0	0	0	111.8	D213	D213-S215 PolarHBondContact O-N 3.06Å; D213-S215 WeakPolarHBondContact OD1-CA 3.49Å; D213-S215 VanDerWaalsContact OD1-CB 3.32Å; D213-S215 WeakPolarHBondContact OD1-CB 3.4Å; D213-S215 PolarHBondContact OD1-N 2.95Å; D213-S215 PolarHBondContact OD1-OG 3.38Å; D213-S215 PolarHBondContact OD2-OG 3.37Å
216	Q	93.6	Very high	95.4	Very high	125 Å²	125	59.4 Å²	59.4	58%	0.584	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-7.4	178.2	-60.6	-52.8	-59.7	0	0	112.8	D213 A218	D213-Q216 PolarHBondContact O-N 2.89Å; D213-Q216 PolarHBondContact OD1-N 2.88Å; D213-Q216 WeakPolarHBondContact OD2-CG 3.35Å; Q216-A218 HydrophobicContact CB-CB 3.81Å; Q216-A218 PolarHBondContact O-N 3.11Å
217	K	96.2	Very high	95.4	Very high	66 Å²	66	55 Å²	55	29%	0.287	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	48	-167.9	-54.6	-171.5	-176.7	-170.1	0	110.6	D213 E258 L259 L260 S261	D213-K217 VanDerWaalsContact O-CA 3.27Å; D213-K217 WeakPolarHBondContact O-CA 3.21Å; D213-K217 PolarHBondContact O-N 3.31Å; K217-E258 HydrophobicContact CD-CB 4.29Å; K217-E258 WeakPolarHBondContact CD-O 3.36Å; K217-E258 IonicContact NZ-OE2 2.74Å; K217-E258 PolarHBondContact NZ-OE2 2.95Å; K217-L259 WeakPolarHBondContact O-CD1 3.45Å; K217-L260 HydrophobicContact CB-CB 4.18Å; K217-L260 HydrophobicContact CB-CD1 4.24Å; K217-L260 HydrophobicContact CB-CG 3.99Å; K217-L260 HydrophobicContact CD-CD1 4.08Å; K217-L260 HydrophobicContact CD-CG 4.13Å; K217-L260 PolarHBondContact O-N 3.42Å; K217-S261 PolarHBondContact O-N 3.16Å; K217-S261 VanDerWaalsContact O-N 3.11Å
218	A	97	Very high	95.2	Very high	23 Å²	23	60.1 Å²	60.1	19%	0.19	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.6	-172.7	0	0	0	0	0	110.3	Y212 D213 Q216 S261	Y212-A218 WeakPolarHBondContact CD2-O 3.47Å; D213-A218 PolarHBondContact N-O 2.65Å; D213-A218 PolarHBondContact O-N 3.06Å; D213-A218 VanDerWaalsContact O-N 3.09Å; Q216-A218 HydrophobicContact CB-CB 3.81Å; Q216-A218 PolarHBondContact O-N 3.11Å; A218-S261 CarbonylContact C-O 3.47Å; A218-S261 WeakPolarHBondContact CA-O 3.39Å
219	L	97.9	Very high	95	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.9	178.2	179.8	67.1	0	0	0	110.1	M208 R211 Y212 L221 I252 I256 L259 S261 L262 N263	M208-L219 HydrophobicContact CB-CD1 4.48Å; M208-L219 HydrophobicContact CE-CD2 3.77Å; M208-L219 VanDerWaalsContact O-CD1 3.24Å; M208-L219 WeakPolarHBondContact O-CD1 3.43Å; R211-L219 HydrophobicContact CB-CD1 4.47Å; Y212-L219 HydrophobicContact CD2-CB 4.25Å; Y212-L219 HydrophobicContact CD2-CD1 4.46Å; L219-L221 HydrophobicContact CD1-CD2 4.17Å; L219-L221 HydrophobicContact CD2-CD1 3.98Å; L219-L221 HydrophobicContact CD2-CD2 4.18Å; L219-L221 HydrophobicContact CD2-CG 4.06Å; L219-L221 HydrophobicContact CG-CD1 4.45Å; L219-L221 HydrophobicContact CG-CD2 4.02Å; L219-L221 HydrophobicContact CG-CG 3.98Å; L219-I252 HydrophobicContact CD2-CD1 3.9Å; L219-I252 HydrophobicContact CD2-CG1 3.92Å; L219-I256 HydrophobicContact CD1-CD1 4.44Å; L219-I256 HydrophobicContact CD2-CD1 3.98Å; L219-L259 HydrophobicContact CB-CD1 3.64Å; L219-L259 HydrophobicContact CB-CD2 4.27Å; L219-S261 PolarHBondContact N-O 3.13Å; L219-L262 HydrophobicContact CB-CD1 4.25Å; L219-L262 HydrophobicContact CD2-CD1 3.95Å; L219-L262 HydrophobicContact CG-CD1 4.33Å; L219-N263 PolarHBondContact O-N 2.87Å
220	D	97.7	Very high	94.8	Very high	65 Å²	65	61.2 Å²	61.2	35%	0.348	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	101	-179.5	-170.3	10.1	0	0	0	114.1	R211 E222 N263	R211-D220 WeakPolarHBondContact CB-O 3.38Å; R211-D220 WeakPolarHBondContact CD-O 3.44Å; R211-D220 PolarHBondContact NH1-O 2.92Å; R211-D220 PolarHBondContact O-N 3.29Å; R211-D220 VanDerWaalsContact O-N 3.1Å; D220-E222 WeakPolarHBondContact OD1-CB 3.37Å; D220-E222 PolarHBondContact OD1-N 3.5Å; D220-N263 PolarHBondContact OD1-ND2 2.77Å
221	L	97.1	Very high	94.6	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.302	C	S	.	.			trans	-106	27.6	176.1	-53	179.9	0	0	0	112.1	M208 L219 K223 F224 L239 T248 L262 N263 L264 N267	M208-L221 HydrophobicContact CG-CD2 4.19Å; L219-L221 HydrophobicContact CD1-CD2 4.17Å; L219-L221 HydrophobicContact CD2-CD1 3.98Å; L219-L221 HydrophobicContact CD2-CD2 4.18Å; L219-L221 HydrophobicContact CD2-CG 4.06Å; L219-L221 HydrophobicContact CG-CD1 4.45Å; L219-L221 HydrophobicContact CG-CD2 4.02Å; L219-L221 HydrophobicContact CG-CG 3.98Å; L221-K223 PolarHBondContact O-N 3.19Å; L221-F224 HydrophobicContact CB-CB 4.15Å; L221-F224 HydrophobicContact CB-CG 4.36Å; L221-F224 HydrophobicContact CD2-CD1 4.37Å; L221-F224 HydrophobicContact CD2-CD2 3.86Å; L221-F224 HydrophobicContact CD2-CE1 4.4Å; L221-F224 HydrophobicContact CD2-CE2 3.93Å; L221-F224 HydrophobicContact CD2-CG 4.1Å; L221-F224 HydrophobicContact CD2-CZ 4.21Å; L221-F224 PolarHBondContact O-N 3.41Å; L221-L239 HydrophobicContact CB-CD1 4.07Å; L221-L239 HydrophobicContact CD1-CD1 4.26Å; L221-T248 HydrophobicContact CD1-CG2 3.47Å; L221-T248 VanDerWaalsContact CD1-CG2 3.47Å; L221-L262 HydrophobicContact CD1-CD1 4.14Å; L221-N263 CarbonylContact C-O 3.58Å; L221-N263 WeakPolarHBondContact CA-O 3.45Å; L221-N263 WeakPolarHBondContact CB-O 3.35Å; L221-N263 PolarHBondContact N-O 3.23Å; L221-L264 HydrophobicContact CB-CD2 4.18Å; L221-L264 HydrophobicContact CD1-CD2 4.04Å; L221-N267 PolarHBondContact O-ND2 2.73Å
222	E	97.1	Very high	94.3	Very high	63 Å²	63	62.4 Å²	62.4	29%	0.294	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	127.2	171.5	-179.2	-177.8	163.4	0	0	110.2	R211 D220 F224 T265	R211-E222 PolarHBondContact NH1-O 3.17Å; D220-E222 WeakPolarHBondContact OD1-CB 3.37Å; D220-E222 PolarHBondContact OD1-N 3.5Å; E222-F224 PolarHBondContact O-N 3.48Å; E222-F224 VanDerWaalsContact O-N 3.16Å; E222-T265 WeakPolarHBondContact CA-O 3.34Å; E222-T265 HydrophobicContact CG-CG2 4.32Å
223	K	94.4	Very high	93.9	Very high	89 Å²	89	65 Å²	65	39%	0.387	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	36.8	176.7	-67.4	169.8	-166.9	146.4	0	113.3	L221 R225 F226 T265 N266	L221-K223 PolarHBondContact O-N 3.19Å; K223-R225 PolarHBondContact O-N 3.17Å; K223-F226 HydrophobicContact CB-CD2 4.18Å; K223-F226 PolarHBondContact O-N 3.37Å; K223-T265 PolarHBondContact N-O 3.28Å; K223-N266 WeakPolarHBondContact CE-ND2 3.41Å; K223-N266 HydrophobicContact CG-CB 4.1Å; K223-N266 VanDerWaalsContact CG-ND2 3.26Å; K223-N266 WeakPolarHBondContact CG-ND2 3.48Å
224	F	95.3	Very high	93.3	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-56.4	-28.5	-168.6	-168.6	-132.4	0	0	0	115.2	I204 S207 M208 L221 E222 F226 D227 L230 M237 L239 N267	I204-F224 HydrophobicContact CG2-CE1 4.41Å; I204-F224 HydrophobicContact CG2-CZ 4.42Å; S207-F224 WeakPolarHBondContact OG-CE2 2.98Å; M208-F224 HydrophobicContact CG-CE1 4.24Å; M208-F224 HydrophobicContact CG-CE2 4.29Å; M208-F224 HydrophobicContact CG-CZ 3.6Å; L221-F224 HydrophobicContact CB-CB 4.15Å; L221-F224 HydrophobicContact CB-CG 4.36Å; L221-F224 HydrophobicContact CD2-CD1 4.37Å; L221-F224 HydrophobicContact CD2-CD2 3.86Å; L221-F224 HydrophobicContact CD2-CE1 4.4Å; L221-F224 HydrophobicContact CD2-CE2 3.93Å; L221-F224 HydrophobicContact CD2-CG 4.1Å; L221-F224 HydrophobicContact CD2-CZ 4.21Å; L221-F224 PolarHBondContact O-N 3.41Å; E222-F224 PolarHBondContact O-N 3.48Å; E222-F224 VanDerWaalsContact O-N 3.16Å; F224-F226 PolarHBondContact O-N 3.1Å; F224-F226 VanDerWaalsContact O-N 3.11Å; F224-D227 HydrophobicContact CD2-CB 4.27Å; F224-D227 HydrophobicContact CE2-CB 4.45Å; F224-D227 WeakPolarHBondContact O-CB 3.38Å; F224-D227 PolarHBondContact O-N 3.13Å; F224-D227 VanDerWaalsContact O-N 3.13Å; F224-L230 HydrophobicContact CD1-CD1 4.4Å; F224-L230 HydrophobicContact CD2-CD1 4.29Å; F224-L230 HydrophobicContact CE1-CD1 3.94Å; F224-L230 HydrophobicContact CE2-CD1 3.78Å; F224-L230 HydrophobicContact CZ-CD1 3.58Å; F224-M237 HydrophobicContact CD1-CB 4Å; F224-M237 HydrophobicContact CD1-CG 3.48Å; F224-M237 VanDerWaalsContact CD1-CG 3.48Å; F224-M237 HydrophobicContact CE1-CB 4.16Å; F224-M237 HydrophobicContact CE1-CG 3.43Å; F224-M237 VanDerWaalsContact CE1-CG 3.43Å; F224-L239 HydrophobicContact CB-CD1 3.82Å; F224-L239 HydrophobicContact CB-CG 4.32Å; F224-L239 HydrophobicContact CD1-CD1 4.09Å; F224-L239 HydrophobicContact CD1-CD2 4.05Å; F224-L239 HydrophobicContact CD1-CG 4.15Å; F224-L239 HydrophobicContact CG-CD1 4.37Å; F224-N267 PolarHBondContact N-OD1 3.05Å; F224-N267 VanDerWaalsContact N-OD1 3.14Å
225	R	92.5	Very high	93	Very high	93 Å²	93	65.5 Å²	65.5	35%	0.351	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-52.5	-32.3	171.6	179.5	-178	169.8	101.6	19.9	113.2	K223 D236 M237 M238	K223-R225 PolarHBondContact O-N 3.17Å; R225-D236 IonicContact CZ-OD1 3.58Å; R225-D236 IonicContact CZ-OD2 2.85Å; R225-D236 IonicContact NE-OD1 3.16Å; R225-D236 PolarHBondContact NE-OD1 2.9Å; R225-D236 IonicContact NH1-OD1 3.21Å; R225-D236 PolarHBondContact NH1-OD1 3.4Å; R225-D236 IonicContact NH1-OD2 2.88Å; R225-D236 PolarHBondContact NH1-OD2 3.03Å; R225-D236 VanDerWaalsContact NH2-CG 3.28Å; R225-D236 IonicContact NH2-OD1 2.76Å; R225-D236 PolarHBondContact NH2-OD1 2.81Å; R225-D236 IonicContact NH2-OD2 3.83Å; R225-D236 PolarHBondContact NH2-OD2 2.76Å; R225-M237 WeakPolarHBondContact CA-O 3.49Å; R225-M237 WeakPolarHBondContact CB-O 3.39Å; R225-M237 PolarHBondContact N-O 2.84Å; R225-M238 PolarHBondContact NH1-SD 3.2Å
226	F	92.1	Very high	92.5	Very high	109 Å²	109	64.2 Å²	64.2	48%	0.478	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-101.8	21.4	-174.8	-54.6	-73.3	0	0	0	112.6	K223 F224 M231	K223-F226 HydrophobicContact CB-CD2 4.18Å; K223-F226 PolarHBondContact O-N 3.37Å; F224-F226 PolarHBondContact O-N 3.1Å; F224-F226 VanDerWaalsContact O-N 3.11Å; F226-M231 HydrophobicContact CB-SD 4.41Å; F226-M231 HydrophobicContact CD1-SD 4.47Å; F226-M231 VanDerWaalsContact O-CE 3.31Å; F226-M231 WeakPolarHBondContact O-CE 3.47Å
227	D	94.2	Very high	92.4	Very high	13 Å²	13	58.2 Å²	58.2	7%	0.07	28%	0.283	C	S	.	.			trans	-64.9	134.8	170.9	-174.2	-104.4	0	0	0	110.9	S207 R211 F224 D229 L230 M231	S207-D227 PolarHBondContact OG-OD1 3.4Å; R211-D227 IonicContact CZ-OD2 3.77Å; R211-D227 IonicContact NE-OD2 3.28Å; R211-D227 PolarHBondContact NE-OD2 3.38Å; R211-D227 IonicContact NH2-OD2 2.68Å; R211-D227 PolarHBondContact NH2-OD2 3.14Å; F224-D227 HydrophobicContact CD2-CB 4.27Å; F224-D227 HydrophobicContact CE2-CB 4.45Å; F224-D227 WeakPolarHBondContact O-CB 3.38Å; F224-D227 PolarHBondContact O-N 3.13Å; F224-D227 VanDerWaalsContact O-N 3.13Å; D227-D229 WeakPolarHBondContact OD1-CB 3.18Å; D227-D229 PolarHBondContact OD1-N 2.84Å; D227-L230 HydrophobicContact CB-CB 4.26Å; D227-L230 HydrophobicContact CB-CD1 4.03Å; D227-L230 HydrophobicContact CB-CG 4.06Å; D227-L230 PolarHBondContact O-N 2.87Å; D227-L230 PolarHBondContact OD1-N 3.08Å; D227-M231 WeakPolarHBondContact O-CB 3.37Å; D227-M231 VanDerWaalsContact O-CG 3.29Å; D227-M231 WeakPolarHBondContact O-CG 3.39Å; D227-M231 PolarHBondContact O-N 3.04Å
228	Q	91	Very high	92	Very high	108 Å²	108	56.2 Å²	56.2	51%	0.505	28%	0.275	S	S	.	.	H	α-helix	trans	-66.3	-42.1	-172.8	-168.4	64.2	45.8	0	0	111.7	L230 M231 D232	Q228-L230 VanDerWaalsContact C-N 3.25Å; Q228-L230 PolarHBondContact O-N 2.95Å; Q228-M231 PolarHBondContact O-N 3.35Å; Q228-D232 PolarHBondContact NE2-OD1 2.74Å; Q228-D232 WeakPolarHBondContact O-CB 3.39Å; Q228-D232 VanDerWaalsContact O-CG 3.22Å; Q228-D232 PolarHBondContact O-N 3.29Å
229	D	90.9	Very high	91.7	Very high	75 Å²	75	55.3 Å²	55.3	40%	0.401	27%	0.267	S	S	.	.	H	α-helix	trans	-63.2	-36.4	-178.8	-59.8	-22.9	0	0	0	110.7	N210 D227 K233	N210-D229 PolarHBondContact ND2-OD2 3.25Å; D227-D229 WeakPolarHBondContact OD1-CB 3.18Å; D227-D229 PolarHBondContact OD1-N 2.84Å; D229-K233 VanDerWaalsContact O-CG 3.26Å; D229-K233 WeakPolarHBondContact O-CG 3.39Å
230	L	91.9	Very high	91.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-74.7	-40.7	176	-60.1	-177.3	0	0	0	112.8	I204 F224 D227 Q228 K233 D234 I235 M237	I204-L230 HydrophobicContact CG1-CD2 4.13Å; F224-L230 HydrophobicContact CD1-CD1 4.4Å; F224-L230 HydrophobicContact CD2-CD1 4.29Å; F224-L230 HydrophobicContact CE1-CD1 3.94Å; F224-L230 HydrophobicContact CE2-CD1 3.78Å; F224-L230 HydrophobicContact CZ-CD1 3.58Å; D227-L230 HydrophobicContact CB-CB 4.26Å; D227-L230 HydrophobicContact CB-CD1 4.03Å; D227-L230 HydrophobicContact CB-CG 4.06Å; D227-L230 PolarHBondContact O-N 2.87Å; D227-L230 PolarHBondContact OD1-N 3.08Å; Q228-L230 VanDerWaalsContact C-N 3.25Å; Q228-L230 PolarHBondContact O-N 2.95Å; L230-K233 CarbonylContact O-C 3.59Å; L230-K233 PolarHBondContact O-N 2.92Å; L230-D234 PolarHBondContact O-N 3.47Å; L230-I235 HydrophobicContact CB-CB 4.38Å; L230-I235 HydrophobicContact CD2-CB 4.38Å; L230-I235 HydrophobicContact CD2-CD1 4.48Å; L230-I235 HydrophobicContact CD2-CG2 4.33Å; L230-I235 PolarHBondContact O-N 3.4Å; L230-M237 HydrophobicContact CD1-CB 3.86Å; L230-M237 HydrophobicContact CD1-CG 4.42Å
231	M	89.5	Confident	90.5	Very high	82 Å²	82	59.5 Å²	59.5	40%	0.404	28%	0.281	S	S	.	.	H	α-helix	trans	-64.8	-40	178.1	-74.3	-171.4	-56.6	0	0	111.9	F226 D227 Q228 K233 D234	F226-M231 HydrophobicContact CB-SD 4.41Å; F226-M231 HydrophobicContact CD1-SD 4.47Å; F226-M231 VanDerWaalsContact O-CE 3.31Å; F226-M231 WeakPolarHBondContact O-CE 3.47Å; D227-M231 WeakPolarHBondContact O-CB 3.37Å; D227-M231 VanDerWaalsContact O-CG 3.29Å; D227-M231 WeakPolarHBondContact O-CG 3.39Å; D227-M231 PolarHBondContact O-N 3.04Å; Q228-M231 PolarHBondContact O-N 3.35Å; M231-K233 PolarHBondContact O-N 2.84Å; M231-D234 PolarHBondContact O-N 2.95Å; M231-D234 VanDerWaalsContact O-N 3.12Å
232	D	90.9	Very high	89.7	Confident	113 Å²	113	62.5 Å²	62.5	60%	0.604	29%	0.292	S	S	*	.	H	α-helix	trans	-64.2	-23.6	178.3	-71.3	-10.5	0	0	0	112.3	Q228	Q228-D232 PolarHBondContact NE2-OD1 2.74Å; Q228-D232 WeakPolarHBondContact O-CB 3.39Å; Q228-D232 VanDerWaalsContact O-CG 3.22Å; Q228-D232 PolarHBondContact O-N 3.29Å
233	K	87.8	Confident	88.9	Confident	107 Å²	107	60.1 Å²	60.1	47%	0.465	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	6.2	178.7	-60	-66.5	-177.5	169.5	0	113.7	Y203 D229 L230 M231 I235	Y203-K233 HydrophobicContact CD1-CD 4.47Å; Y203-K233 HydrophobicContact CD1-CG 4.39Å; Y203-K233 HydrophobicContact CE1-CD 4.22Å; Y203-K233 HydrophobicContact CE2-CD 4.38Å; Y203-K233 HydrophobicContact CG-CG 4.35Å; D229-K233 VanDerWaalsContact O-CG 3.26Å; D229-K233 WeakPolarHBondContact O-CG 3.39Å; L230-K233 CarbonylContact O-C 3.59Å; L230-K233 PolarHBondContact O-N 2.92Å; M231-K233 PolarHBondContact O-N 2.84Å; K233-I235 HydrophobicContact CB-CD1 3.93Å; K233-I235 HydrophobicContact CB-CG1 3.97Å; K233-I235 PolarHBondContact O-N 2.87Å
234	D	84.8	Confident	88.6	Confident	149 Å²	149	56 Å²	56	80%	0.797	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	34.7	-175.8	-161.2	30.1	0	0	0	113.5	L230 M231	L230-D234 PolarHBondContact O-N 3.47Å; M231-D234 PolarHBondContact O-N 2.95Å; M231-D234 VanDerWaalsContact O-N 3.12Å
235	I	87.3	Confident	88.4	Confident	6 Å²	6	56.2 Å²	56.2	3%	0.031	27%	0.266	C	S	.	.			trans	-96.7	108.1	178.6	-60	176.4	0	0	0	109.5	F196 Q200 Y203 I204 L230 K233 M237	F196-I235 HydrophobicContact CD1-CG2 4.33Å; F196-I235 HydrophobicContact CE1-CG2 4.05Å; Q200-I235 HydrophobicContact CB-CD1 4.13Å; Q200-I235 HydrophobicContact CG-CD1 4.08Å; Q200-I235 HydrophobicContact CG-CG1 4.27Å; Y203-I235 HydrophobicContact CD2-CD1 3.93Å; Y203-I235 HydrophobicContact CG-CD1 4.19Å; I204-I235 HydrophobicContact CD1-CG2 4.1Å; I204-I235 HydrophobicContact CG1-CG2 3.93Å; L230-I235 HydrophobicContact CB-CB 4.38Å; L230-I235 HydrophobicContact CD2-CB 4.38Å; L230-I235 HydrophobicContact CD2-CD1 4.48Å; L230-I235 HydrophobicContact CD2-CG2 4.33Å; L230-I235 PolarHBondContact O-N 3.4Å; K233-I235 HydrophobicContact CB-CD1 3.93Å; K233-I235 HydrophobicContact CB-CG1 3.97Å; K233-I235 PolarHBondContact O-N 2.87Å; I235-M237 HydrophobicContact CG2-CE 3.57Å; I235-M237 PolarHBondContact O-N 3.23Å
236	D	84.4	Confident	88.1	Confident	60 Å²	60	52.5 Å²	52.5	32%	0.321	25%	0.254	S	S	.	.			trans	-88.2	94.2	-177.3	-168.6	-1	0	0	0	113.3	R225 M238	R225-D236 IonicContact CZ-OD1 3.58Å; R225-D236 IonicContact CZ-OD2 2.85Å; R225-D236 IonicContact NE-OD1 3.16Å; R225-D236 PolarHBondContact NE-OD1 2.9Å; R225-D236 IonicContact NH1-OD1 3.21Å; R225-D236 PolarHBondContact NH1-OD1 3.4Å; R225-D236 IonicContact NH1-OD2 2.88Å; R225-D236 PolarHBondContact NH1-OD2 3.03Å; R225-D236 VanDerWaalsContact NH2-CG 3.28Å; R225-D236 IonicContact NH2-OD1 2.76Å; R225-D236 PolarHBondContact NH2-OD1 2.81Å; R225-D236 IonicContact NH2-OD2 3.83Å; R225-D236 PolarHBondContact NH2-OD2 2.76Å; D236-M238 HydrophobicContact CB-CE 4.4Å; D236-M238 PolarHBondContact O-N 3.37Å; D236-M238 WeakPolarHBondContact OD2-CE 3.37Å
237	M	89.8	Confident	88	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.231	C	C	.	.			trans	-92.3	72.8	-176.8	-150	49.3	42.7	0	0	114.8	F196 I204 F224 R225 L230 I235 L239 C244	F196-M237 HydrophobicContact CD1-CE 4.23Å; F196-M237 HydrophobicContact CD2-CE 4.36Å; F196-M237 HydrophobicContact CE1-CE 3.45Å; F196-M237 VanDerWaalsContact CE1-CE 3.45Å; F196-M237 HydrophobicContact CE2-CE 3.61Å; F196-M237 HydrophobicContact CE2-SD 3.98Å; F196-M237 HydrophobicContact CZ-CE 3.1Å; F196-M237 HydrophobicContact CZ-SD 3.89Å; I204-M237 HydrophobicContact CD1-CE 3.43Å; I204-M237 VanDerWaalsContact CD1-CE 3.43Å; I204-M237 HydrophobicContact CD1-SD 4.43Å; I204-M237 HydrophobicContact CG1-CE 3.84Å; F224-M237 HydrophobicContact CD1-CB 4Å; F224-M237 HydrophobicContact CD1-CG 3.48Å; F224-M237 VanDerWaalsContact CD1-CG 3.48Å; F224-M237 HydrophobicContact CE1-CB 4.16Å; F224-M237 HydrophobicContact CE1-CG 3.43Å; F224-M237 VanDerWaalsContact CE1-CG 3.43Å; R225-M237 WeakPolarHBondContact CA-O 3.49Å; R225-M237 WeakPolarHBondContact CB-O 3.39Å; R225-M237 PolarHBondContact N-O 2.84Å; L230-M237 HydrophobicContact CD1-CB 3.86Å; L230-M237 HydrophobicContact CD1-CG 4.42Å; I235-M237 HydrophobicContact CG2-CE 3.57Å; I235-M237 PolarHBondContact O-N 3.23Å; M237-L239 HydrophobicContact CG-CD2 4.29Å; M237-L239 PolarHBondContact O-N 3.31Å; M237-C244 HydrophobicContact SD-CB 3.59Å; M237-C244 VanDerWaalsContact SD-CB 3.59Å
238	M	88.5	Confident	88	Confident	23 Å²	23	46.9 Å²	46.9	11%	0.113	23%	0.229	C	C	.	.			trans	-78.4	96.5	171.3	-83.3	169.6	-75.7	0	0	112.6	R225 D236 N240 R241 C244	R225-M238 PolarHBondContact NH1-SD 3.2Å; D236-M238 HydrophobicContact CB-CE 4.4Å; D236-M238 PolarHBondContact O-N 3.37Å; D236-M238 WeakPolarHBondContact OD2-CE 3.37Å; M238-N240 PolarHBondContact O-N 3.38Å; M238-R241 HydrophobicContact CB-CB 4.47Å; M238-R241 HydrophobicContact CB-CG 3.93Å; M238-R241 VanDerWaalsContact CE-NE 3.26Å; M238-R241 VanDerWaalsContact CE-NH2 3.29Å; M238-R241 WeakPolarHBondContact O-CB 3.21Å; M238-R241 PolarHBondContact O-N 3.09Å; M238-R241 VanDerWaalsContact SD-CZ 3.55Å; M238-R241 PolarHBondContact SD-NE 2.98Å; M238-R241 VanDerWaalsContact SD-NE 3.38Å; M238-C244 WeakPolarHBondContact O-CB 3.46Å
239	L	90.9	Very high	88	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.021	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.8	178.4	-66.2	-174.3	0	0	0	114.6	L221 F224 M237 R241 M245 T248 L264 N267 L269	L221-L239 HydrophobicContact CB-CD1 4.07Å; L221-L239 HydrophobicContact CD1-CD1 4.26Å; F224-L239 HydrophobicContact CB-CD1 3.82Å; F224-L239 HydrophobicContact CB-CG 4.32Å; F224-L239 HydrophobicContact CD1-CD1 4.09Å; F224-L239 HydrophobicContact CD1-CD2 4.05Å; F224-L239 HydrophobicContact CD1-CG 4.15Å; F224-L239 HydrophobicContact CG-CD1 4.37Å; M237-L239 HydrophobicContact CG-CD2 4.29Å; M237-L239 PolarHBondContact O-N 3.31Å; L239-R241 PolarHBondContact O-N 3.43Å; L239-M245 HydrophobicContact CB-CE 3.84Å; L239-M245 HydrophobicContact CD2-CE 4.44Å; L239-M245 WeakPolarHBondContact O-CE 3.5Å; L239-T248 WeakPolarHBondContact CD2-OG1 3.28Å; L239-L264 HydrophobicContact CD1-CD2 3.93Å; L239-N267 HydrophobicContact CB-CB 4.2Å; L239-L269 HydrophobicContact CB-CD2 4.3Å; L239-L269 WeakPolarHBondContact O-CD2 3.43Å
240	N	85.7	Confident	88	Confident	44 Å²	44	41.4 Å²	41.4	24%	0.235	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-7.5	171	70	-0.8	0	0	0	114.1	M238 K268 L269 Y270	M238-N240 PolarHBondContact O-N 3.38Å; N240-K268 WeakPolarHBondContact CB-O 3.26Å; N240-K268 PolarHBondContact ND2-O 3.38Å; N240-L269 HydrophobicContact CB-CD2 4.01Å; N240-Y270 HydrophobicContact CB-CD1 4.31Å; N240-Y270 HydrophobicContact CB-CE1 3.95Å
241	R	84.7	Confident	88	Confident	111 Å²	111	41.6 Å²	41.6	42%	0.419	20%	0.202	S	C	.	.	S	Bend	trans	-92.3	131.7	170.8	-64.2	-177.5	175.3	-179.4	-0.9	109.6	M238 L239 S243 C244 M245	M238-R241 HydrophobicContact CB-CB 4.47Å; M238-R241 HydrophobicContact CB-CG 3.93Å; M238-R241 VanDerWaalsContact CE-NE 3.26Å; M238-R241 VanDerWaalsContact CE-NH2 3.29Å; M238-R241 WeakPolarHBondContact O-CB 3.21Å; M238-R241 PolarHBondContact O-N 3.09Å; M238-R241 VanDerWaalsContact SD-CZ 3.55Å; M238-R241 PolarHBondContact SD-NE 2.98Å; M238-R241 VanDerWaalsContact SD-NE 3.38Å; L239-R241 PolarHBondContact O-N 3.43Å; R241-S243 VanDerWaalsContact C-N 3.32Å; R241-S243 PolarHBondContact O-N 3.48Å; R241-C244 HydrophobicContact CB-CB 4.47Å; R241-C244 PolarHBondContact O-N 3.39Å; R241-C244 VanDerWaalsContact O-N 3.16Å; R241-M245 PolarHBondContact O-N 3.42Å; R241-M245 VanDerWaalsContact O-N 3.12Å
242	R	80.6	Confident	88.3	Confident	63 Å²	63	37.7 Å²	37.7	24%	0.238	18%	0.183	C	C	.	.	H	α-helix	trans	-53.8	-44.3	-179.9	177.3	175.1	-95.5	162.7	-4.7	112.9	D143 C244 M245 V246 D273	D143-R242 IonicContact OD1-CZ 3.79Å; D143-R242 IonicContact OD1-NE 2.71Å; D143-R242 IonicContact OD1-NH1 2.87Å; D143-R242 PolarHBondContact OD1-NH1 2.82Å; D143-R242 IonicContact OD2-NH1 3.06Å; R242-C244 VanDerWaalsContact C-N 3.33Å; R242-C244 PolarHBondContact O-N 3.32Å; R242-M245 PolarHBondContact O-N 3.41Å; R242-V246 HydrophobicContact CG-CG2 4.06Å; R242-V246 WeakPolarHBondContact O-CB 3.06Å; R242-V246 VanDerWaalsContact O-CG2 3.28Å; R242-V246 WeakPolarHBondContact O-CG2 3.08Å; R242-V246 PolarHBondContact O-N 2.79Å; R242-D273 PolarHBondContact NE-O 2.92Å; R242-D273 PolarHBondContact NH2-O 3.29Å
243	S	79.9	Confident	88.4	Confident	13 Å²	13	36.5 Å²	36.5	9%	0.091	17%	0.173	C	C	.	.	H	α-helix	trans	-58.2	-42.5	-180	61.1	0	0	0	0	113.1	Y190 R241 A247	Y190-S243 WeakPolarHBondContact O-CB 3.36Å; R241-S243 VanDerWaalsContact C-N 3.32Å; R241-S243 PolarHBondContact O-N 3.48Å; S243-A247 PolarHBondContact O-N 2.91Å; S243-A247 VanDerWaalsContact O-N 3.14Å
244	C	87.8	Confident	88.6	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.014	18%	0.178	C	C	.	.	H	α-helix	trans	-67.5	-45.8	178	-65.7	0	0	0	0	110.9	M237 M238 R241 R242 V246 A247 T248	M237-C244 HydrophobicContact SD-CB 3.59Å; M237-C244 VanDerWaalsContact SD-CB 3.59Å; M238-C244 WeakPolarHBondContact O-CB 3.46Å; R241-C244 HydrophobicContact CB-CB 4.47Å; R241-C244 PolarHBondContact O-N 3.39Å; R241-C244 VanDerWaalsContact O-N 3.16Å; R242-C244 VanDerWaalsContact C-N 3.33Å; R242-C244 PolarHBondContact O-N 3.32Å; C244-V246 VanDerWaalsContact C-N 3.33Å; C244-V246 PolarHBondContact O-N 3Å; C244-A247 PolarHBondContact O-N 2.77Å; C244-T248 PolarHBondContact O-N 3.32Å; C244-T248 PolarHBondContact O-OG1 3.16Å; C244-T248 VanDerWaalsContact O-OG1 3.06Å
245	M	91.1	Very high	89	Confident	5 Å²	5	31.5 Å²	31.5	3%	0.025	16%	0.158	C	C	.	.	H	α-helix	trans	-63.6	-39.4	178.7	-170.7	60	76.5	0	0	112.2	L239 R241 R242 T248 L249 L264 L269 G274 L275	L239-M245 HydrophobicContact CB-CE 3.84Å; L239-M245 HydrophobicContact CD2-CE 4.44Å; L239-M245 WeakPolarHBondContact O-CE 3.5Å; R241-M245 PolarHBondContact O-N 3.42Å; R241-M245 VanDerWaalsContact O-N 3.12Å; R242-M245 PolarHBondContact O-N 3.41Å; M245-T248 WeakPolarHBondContact O-CB 3.32Å; M245-T248 PolarHBondContact O-N 3.26Å; M245-L249 HydrophobicContact CG-CD1 4.42Å; M245-L249 WeakPolarHBondContact O-CG 3.22Å; M245-L249 PolarHBondContact O-N 3.26Å; M245-L264 HydrophobicContact CE-CD1 4.33Å; M245-L264 HydrophobicContact CE-CD2 4.3Å; M245-L269 HydrophobicContact CE-CD2 4.13Å; M245-G274 WeakPolarHBondContact CG-O 3.18Å; M245-L275 HydrophobicContact CE-CD2 3.8Å; M245-L275 HydrophobicContact CG-CD2 3.68Å; M245-L275 HydrophobicContact SD-CD2 3.43Å; M245-L275 WeakPolarHBondContact SD-CD2 3.28Å
246	V	86.9	Confident	89.4	Confident	16 Å²	16	31.7 Å²	31.7	10%	0.097	16%	0.159	C	C	.	.	H	α-helix	trans	-62.1	-44	176.1	168	0	0	0	0	111	R242 C244 L249 Q250	R242-V246 HydrophobicContact CG-CG2 4.06Å; R242-V246 WeakPolarHBondContact O-CB 3.06Å; R242-V246 VanDerWaalsContact O-CG2 3.28Å; R242-V246 WeakPolarHBondContact O-CG2 3.08Å; R242-V246 PolarHBondContact O-N 2.79Å; C244-V246 VanDerWaalsContact C-N 3.33Å; C244-V246 PolarHBondContact O-N 3Å; V246-L249 PolarHBondContact O-N 3.36Å; V246-Q250 HydrophobicContact CG1-CG 4.46Å; V246-Q250 VanDerWaalsContact O-CG 3.32Å; V246-Q250 WeakPolarHBondContact O-CG 3.3Å; V246-Q250 PolarHBondContact O-N 3.49Å
247	A	89.5	Confident	89.7	Confident	1 Å²	1	32 Å²	32	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-60.5	-44.9	175.5	0	0	0	0	0	111.7	F196 M201 S243 C244 L249 Q250 I251	F196-A247 HydrophobicContact CD2-CB 4.22Å; F196-A247 HydrophobicContact CE2-CB 4.48Å; M201-A247 HydrophobicContact CE-CB 4.2Å; M201-A247 HydrophobicContact SD-CB 3.98Å; S243-A247 PolarHBondContact O-N 2.91Å; S243-A247 VanDerWaalsContact O-N 3.14Å; C244-A247 PolarHBondContact O-N 2.77Å; A247-L249 PolarHBondContact O-N 3.28Å; A247-Q250 WeakPolarHBondContact O-CB 3.32Å; A247-Q250 PolarHBondContact O-N 3.43Å; A247-I251 WeakPolarHBondContact O-CG1 3.33Å; A247-I251 PolarHBondContact O-N 3.26Å
248	T	93.5	Very high	89.9	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.012	19%	0.19	C	C	.	.	H	α-helix	trans	-58.1	-47.1	174.2	-57	0	0	0	0	111.8	M208 L221 L239 C244 M245 Q250 I251 I252	M208-T248 HydrophobicContact CE-CG2 3.55Å; M208-T248 HydrophobicContact SD-CG2 4.02Å; L221-T248 HydrophobicContact CD1-CG2 3.47Å; L221-T248 VanDerWaalsContact CD1-CG2 3.47Å; L239-T248 WeakPolarHBondContact CD2-OG1 3.28Å; C244-T248 PolarHBondContact O-N 3.32Å; C244-T248 PolarHBondContact O-OG1 3.16Å; C244-T248 VanDerWaalsContact O-OG1 3.06Å; M245-T248 WeakPolarHBondContact O-CB 3.32Å; M245-T248 PolarHBondContact O-N 3.26Å; T248-Q250 VanDerWaalsContact C-N 3.33Å; T248-Q250 PolarHBondContact O-N 2.82Å; T248-I251 PolarHBondContact O-N 2.71Å; T248-I252 HydrophobicContact CG2-CD1 4.1Å; T248-I252 WeakPolarHBondContact O-CG1 3.34Å; T248-I252 PolarHBondContact O-N 3.12Å
249	L	92.4	Very high	90.3	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-67.7	-31.3	179	-67.7	176.5	0	0	0	112.8	M245 V246 A247 I252 Q253 G274 M278 K281	M245-L249 HydrophobicContact CG-CD1 4.42Å; M245-L249 WeakPolarHBondContact O-CG 3.22Å; M245-L249 PolarHBondContact O-N 3.26Å; V246-L249 PolarHBondContact O-N 3.36Å; A247-L249 PolarHBondContact O-N 3.28Å; L249-I252 HydrophobicContact CD2-CD1 4.21Å; L249-I252 PolarHBondContact O-N 3.27Å; L249-Q253 WeakPolarHBondContact O-CB 3.13Å; L249-Q253 PolarHBondContact O-N 3.14Å; L249-G274 WeakPolarHBondContact CD1-O 3.45Å; L249-M278 HydrophobicContact CD2-CG 4.42Å; L249-K281 HydrophobicContact CB-CB 4.31Å; L249-K281 HydrophobicContact CB-CD 3.61Å; L249-K281 HydrophobicContact CD1-CD 4.45Å
250	Q	90.4	Very high	90.5	Very high	67 Å²	67	39.1 Å²	39.1	31%	0.313	20%	0.199	S	C	.	.	H	α-helix	trans	-65.6	-42.3	173.7	-77.7	170.2	-20.7	0	0	111.7	V246 A247 T248 I252 Q253 S254	V246-Q250 HydrophobicContact CG1-CG 4.46Å; V246-Q250 VanDerWaalsContact O-CG 3.32Å; V246-Q250 WeakPolarHBondContact O-CG 3.3Å; V246-Q250 PolarHBondContact O-N 3.49Å; A247-Q250 WeakPolarHBondContact O-CB 3.32Å; A247-Q250 PolarHBondContact O-N 3.43Å; T248-Q250 VanDerWaalsContact C-N 3.33Å; T248-Q250 PolarHBondContact O-N 2.82Å; Q250-I252 VanDerWaalsContact C-N 3.34Å; Q250-Q253 PolarHBondContact O-N 3.37Å; Q250-S254 PolarHBondContact O-N 2.91Å; Q250-S254 PolarHBondContact O-OG 2.87Å
251	I	92.8	Very high	91.1	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.026	20%	0.196	C	C	.	.	H	α-helix	trans	-63.4	-43.3	174.4	-67.6	164.5	0	0	0	110	M201 I204 R205 M208 M209 A247 T248 Q253 S254 D255	M201-I251 HydrophobicContact CE-CD1 3.85Å; M201-I251 HydrophobicContact CE-CG1 3.87Å; I204-I251 HydrophobicContact CB-CD1 4.1Å; I204-I251 HydrophobicContact CG2-CD1 3.58Å; R205-I251 HydrophobicContact CB-CD1 4.32Å; R205-I251 HydrophobicContact CB-CG2 4.47Å; R205-I251 HydrophobicContact CG-CG2 4.11Å; M208-I251 HydrophobicContact CE-CB 3.99Å; M208-I251 HydrophobicContact CE-CG2 3.78Å; M208-I251 HydrophobicContact SD-CB 3.93Å; M208-I251 HydrophobicContact SD-CD1 3.63Å; M208-I251 HydrophobicContact SD-CG1 4.39Å; M208-I251 HydrophobicContact SD-CG2 3.79Å; M209-I251 HydrophobicContact CE-CG2 4.26Å; A247-I251 WeakPolarHBondContact O-CG1 3.33Å; A247-I251 PolarHBondContact O-N 3.26Å; T248-I251 PolarHBondContact O-N 2.71Å; I251-Q253 VanDerWaalsContact C-N 3.33Å; I251-Q253 PolarHBondContact O-N 3.29Å; I251-S254 WeakPolarHBondContact CA-OG 3.36Å; I251-S254 PolarHBondContact O-N 3.46Å; I251-S254 PolarHBondContact O-OG 3Å; I251-D255 PolarHBondContact O-N 3.44Å
252	I	94.8	Very high	91.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.1	-46	176.9	-69.9	162.9	0	0	0	111.3	M208 L219 T248 L249 Q250 S254 I256 L259 L262 A282	M208-I252 HydrophobicContact CE-CD1 4.32Å; M208-I252 HydrophobicContact CE-CG1 3.86Å; L219-I252 HydrophobicContact CD2-CD1 3.9Å; L219-I252 HydrophobicContact CD2-CG1 3.92Å; T248-I252 HydrophobicContact CG2-CD1 4.1Å; T248-I252 WeakPolarHBondContact O-CG1 3.34Å; T248-I252 PolarHBondContact O-N 3.12Å; L249-I252 HydrophobicContact CD2-CD1 4.21Å; L249-I252 PolarHBondContact O-N 3.27Å; Q250-I252 VanDerWaalsContact C-N 3.34Å; I252-S254 VanDerWaalsContact C-N 3.33Å; I252-S254 PolarHBondContact O-N 3.32Å; I252-I256 HydrophobicContact CB-CG1 4.27Å; I252-I256 HydrophobicContact CG1-CD1 4.03Å; I252-I256 HydrophobicContact CG1-CG1 4.28Å; I252-I256 HydrophobicContact CG2-CG1 4.27Å; I252-I256 CarbonylContact O-C 3.55Å; I252-I256 WeakPolarHBondContact O-CA 3.5Å; I252-I256 PolarHBondContact O-N 2.99Å; I252-L259 HydrophobicContact CD1-CD2 4.2Å; I252-L259 HydrophobicContact CG1-CD2 4.35Å; I252-L259 HydrophobicContact CG2-CB 4.38Å; I252-L259 HydrophobicContact CG2-CD2 3.89Å; I252-L262 HydrophobicContact CD1-CD1 4.36Å; I252-A282 HydrophobicContact CG2-CB 3.84Å
253	Q	93	Very high	92.5	Very high	87 Å²	87	31.3 Å²	31.3	41%	0.407	17%	0.172	S	C	.	.	H	α-helix	trans	-63.5	-37.4	-179.5	-175.7	179.5	17.1	0	0	113	L249 Q250 I251 K281	L249-Q253 WeakPolarHBondContact O-CB 3.13Å; L249-Q253 PolarHBondContact O-N 3.14Å; Q250-Q253 PolarHBondContact O-N 3.37Å; I251-Q253 VanDerWaalsContact C-N 3.33Å; I251-Q253 PolarHBondContact O-N 3.29Å; Q253-K281 HydrophobicContact CB-CB 4.18Å
254	S	91.8	Very high	93.4	Very high	81 Å²	81	30.7 Å²	30.7	57%	0.566	17%	0.168	S	C	*	.	H	α-helix	trans	-82.5	-45.7	-175.8	43.3	0	0	0	0	112.7	Q250 I251 I252	Q250-S254 PolarHBondContact O-N 2.91Å; Q250-S254 PolarHBondContact O-OG 2.87Å; I251-S254 WeakPolarHBondContact CA-OG 3.36Å; I251-S254 PolarHBondContact O-N 3.46Å; I251-S254 PolarHBondContact O-OG 3Å; I252-S254 VanDerWaalsContact C-N 3.33Å; I252-S254 PolarHBondContact O-N 3.32Å
255	D	93.6	Very high	93.8	Very high	71 Å²	71	31 Å²	31	38%	0.38	17%	0.17	S	C	.	.	H	α-helix	trans	-102	-31.2	-169.6	-64.1	-32.4	0	0	0	114.1	R205 M209 I251 P257	R205-D255 WeakPolarHBondContact CD-OD2 3.19Å; R205-D255 WeakPolarHBondContact CG-OD2 3.3Å; M209-D255 HydrophobicContact CE-CB 4.03Å; M209-D255 HydrophobicContact SD-CB 4.39Å; I251-D255 PolarHBondContact O-N 3.44Å; D255-P257 VanDerWaalsContact C-CD 3.49Å
256	I	94.7	Very high	94	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.051	18%	0.182	C	C	.	.			trans	-134.6	58.1	-174.3	47.6	175.9	0	0	0	112.5	M209 Y212 L219 I252 E258 L259	M209-I256 HydrophobicContact CE-CD1 3.88Å; M209-I256 HydrophobicContact CE-CG1 4.18Å; M209-I256 HydrophobicContact CE-CG2 4.13Å; M209-I256 HydrophobicContact SD-CG2 4.26Å; Y212-I256 HydrophobicContact CD1-CG2 4.04Å; Y212-I256 HydrophobicContact CD2-CD1 4.09Å; Y212-I256 HydrophobicContact CD2-CG2 4.25Å; Y212-I256 HydrophobicContact CE1-CG2 3.76Å; Y212-I256 HydrophobicContact CE2-CB 4.4Å; Y212-I256 HydrophobicContact CE2-CD1 4.38Å; Y212-I256 HydrophobicContact CE2-CG2 3.99Å; Y212-I256 HydrophobicContact CG-CG2 4.27Å; L219-I256 HydrophobicContact CD1-CD1 4.44Å; L219-I256 HydrophobicContact CD2-CD1 3.98Å; I252-I256 HydrophobicContact CB-CG1 4.27Å; I252-I256 HydrophobicContact CG1-CD1 4.03Å; I252-I256 HydrophobicContact CG1-CG1 4.28Å; I252-I256 HydrophobicContact CG2-CG1 4.27Å; I252-I256 CarbonylContact O-C 3.55Å; I252-I256 WeakPolarHBondContact O-CA 3.5Å; I252-I256 PolarHBondContact O-N 2.99Å; I256-E258 PolarHBondContact O-N 3.31Å; I256-E258 VanDerWaalsContact O-N 3.13Å; I256-L259 HydrophobicContact CD1-CD1 4.38Å; I256-L259 WeakPolarHBondContact O-CB 3.49Å; I256-L259 PolarHBondContact O-N 2.91Å; I256-L259 VanDerWaalsContact O-N 3.16Å
257	P	92.3	Very high	94.5	Very high	66 Å²	66	33.1 Å²	33.1	43%	0.429	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.1	-176.7	28.2	-36.8	0	0	0	114.2	D255 L259 H284	D255-P257 VanDerWaalsContact C-CD 3.49Å; P257-L259 VanDerWaalsContact C-N 3.34Å; P257-H284 PolarHBondContact O-ND1 2.96Å
258	E	92.9	Very high	94.7	Very high	114 Å²	114	38.6 Å²	38.6	53%	0.533	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	12.2	178.2	-57.7	-168.9	164.4	0	0	113.7	K217 I256 L260	K217-E258 HydrophobicContact CD-CB 4.29Å; K217-E258 WeakPolarHBondContact CD-O 3.36Å; K217-E258 IonicContact NZ-OE2 2.74Å; K217-E258 PolarHBondContact NZ-OE2 2.95Å; I256-E258 PolarHBondContact O-N 3.31Å; I256-E258 VanDerWaalsContact O-N 3.13Å; E258-L260 PolarHBondContact O-N 2.96Å
259	L	96.4	Very high	94.6	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.205	C	C	.	.			trans	-53	127.4	-179.3	-173.9	70.8	0	0	0	111.6	Y212 K217 L219 I252 I256 P257 S261 L262 H284 V285	Y212-L259 HydrophobicContact CD2-CD1 4.2Å; Y212-L259 HydrophobicContact CE2-CD1 3.79Å; K217-L259 WeakPolarHBondContact O-CD1 3.45Å; L219-L259 HydrophobicContact CB-CD1 3.64Å; L219-L259 HydrophobicContact CB-CD2 4.27Å; I252-L259 HydrophobicContact CD1-CD2 4.2Å; I252-L259 HydrophobicContact CG1-CD2 4.35Å; I252-L259 HydrophobicContact CG2-CB 4.38Å; I252-L259 HydrophobicContact CG2-CD2 3.89Å; I256-L259 HydrophobicContact CD1-CD1 4.38Å; I256-L259 WeakPolarHBondContact O-CB 3.49Å; I256-L259 PolarHBondContact O-N 2.91Å; I256-L259 VanDerWaalsContact O-N 3.16Å; P257-L259 VanDerWaalsContact C-N 3.34Å; L259-S261 WeakPolarHBondContact CD1-O 3.13Å; L259-L262 HydrophobicContact CD2-CB 4.22Å; L259-L262 HydrophobicContact CD2-CD1 4.31Å; L259-H284 CarbonylContact O-C 3.51Å; L259-H284 VanDerWaalsContact O-C 3.27Å; L259-V285 HydrophobicContact CB-CG2 4.43Å; L259-V285 HydrophobicContact CD2-CG2 4.15Å; L259-V285 HydrophobicContact CG-CG2 4.27Å; L259-V285 PolarHBondContact O-N 3.15Å
260	L	96.6	Very high	94.5	Very high	62 Å²	62	44.2 Å²	44.2	33%	0.325	23%	0.226	S	C	.	.			trans	-104.8	-32.6	179.6	-63.4	-178.2	0	0	0	112.6	K217 E258 H284 K286 I287	K217-L260 HydrophobicContact CB-CB 4.18Å; K217-L260 HydrophobicContact CB-CD1 4.24Å; K217-L260 HydrophobicContact CB-CG 3.99Å; K217-L260 HydrophobicContact CD-CD1 4.08Å; K217-L260 HydrophobicContact CD-CG 4.13Å; K217-L260 PolarHBondContact O-N 3.42Å; E258-L260 PolarHBondContact O-N 2.96Å; L260-H284 HydrophobicContact CD2-CB 4.31Å; L260-H284 WeakPolarHBondContact CD2-O 3.41Å; L260-K286 HydrophobicContact CD2-CD 4.43Å; L260-K286 PolarHBondContact O-N 3.5Å; L260-I287 PolarHBondContact O-N 3.49Å
261	S	97.7	Very high	94.4	Very high	25 Å²	25	45.9 Å²	45.9	18%	0.175	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.6	-176.1	-179.3	0	0	0	0	111.8	K217 A218 L219 L259 I287	K217-S261 PolarHBondContact O-N 3.16Å; K217-S261 VanDerWaalsContact O-N 3.11Å; A218-S261 CarbonylContact C-O 3.47Å; A218-S261 WeakPolarHBondContact CA-O 3.39Å; L219-S261 PolarHBondContact N-O 3.13Å; L259-S261 WeakPolarHBondContact CD1-O 3.13Å; S261-I287 WeakPolarHBondContact CA-O 3.43Å
262	L	97.8	Very high	94.3	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	118.8	178.4	179.1	61.9	0	0	0	110.5	L219 L221 I252 L259 L264 M278 V285 I287 L288 N289	L219-L262 HydrophobicContact CB-CD1 4.25Å; L219-L262 HydrophobicContact CD2-CD1 3.95Å; L219-L262 HydrophobicContact CG-CD1 4.33Å; L221-L262 HydrophobicContact CD1-CD1 4.14Å; I252-L262 HydrophobicContact CD1-CD1 4.36Å; L259-L262 HydrophobicContact CD2-CB 4.22Å; L259-L262 HydrophobicContact CD2-CD1 4.31Å; L262-L264 HydrophobicContact CD1-CD2 4.4Å; L262-L264 HydrophobicContact CD1-CG 4.49Å; L262-L264 HydrophobicContact CD2-CD1 4.02Å; L262-L264 HydrophobicContact CD2-CG 4.23Å; L262-L264 HydrophobicContact CG-CD1 4.36Å; L262-L264 HydrophobicContact CG-CD2 4.45Å; L262-L264 HydrophobicContact CG-CG 4.05Å; L262-M278 HydrophobicContact CD2-CE 3.83Å; L262-M278 HydrophobicContact CD2-SD 4.41Å; L262-V285 HydrophobicContact CB-CG1 4.4Å; L262-I287 PolarHBondContact N-O 3.49Å; L262-L288 HydrophobicContact CB-CD1 4.18Å; L262-L288 HydrophobicContact CD2-CD1 4.14Å; L262-L288 HydrophobicContact CG-CD1 4.26Å; L262-N289 PolarHBondContact O-N 2.94Å
263	N	97.8	Very high	93.6	Very high	26 Å²	26	48 Å²	48	14%	0.139	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	116.9	175.2	-174.9	14.6	0	0	0	111.7	L219 D220 L221 T265 N289	L219-N263 PolarHBondContact O-N 2.87Å; D220-N263 PolarHBondContact OD1-ND2 2.77Å; L221-N263 CarbonylContact C-O 3.58Å; L221-N263 WeakPolarHBondContact CA-O 3.45Å; L221-N263 WeakPolarHBondContact CB-O 3.35Å; L221-N263 PolarHBondContact N-O 3.23Å; N263-T265 VanDerWaalsContact OD1-CB 3.23Å; N263-T265 WeakPolarHBondContact OD1-CB 3.5Å; N263-T265 PolarHBondContact OD1-N 2.91Å; N263-T265 PolarHBondContact OD1-OG1 3.43Å; N263-N289 HydrophobicContact CB-CB 4.43Å; N263-N289 WeakPolarHBondContact OD1-CB 3.5Å; N263-N289 PolarHBondContact OD1-ND2 2.82Å
264	L	97.2	Very high	92.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.232	C	C	.	.			trans	-117.8	24.5	177.2	-64.5	172.8	0	0	0	112	L221 L239 M245 L262 N267 L269 L275 L288 N289 L290 N293	L221-L264 HydrophobicContact CB-CD2 4.18Å; L221-L264 HydrophobicContact CD1-CD2 4.04Å; L239-L264 HydrophobicContact CD1-CD2 3.93Å; M245-L264 HydrophobicContact CE-CD1 4.33Å; M245-L264 HydrophobicContact CE-CD2 4.3Å; L262-L264 HydrophobicContact CD1-CD2 4.4Å; L262-L264 HydrophobicContact CD1-CG 4.49Å; L262-L264 HydrophobicContact CD2-CD1 4.02Å; L262-L264 HydrophobicContact CD2-CG 4.23Å; L262-L264 HydrophobicContact CG-CD1 4.36Å; L262-L264 HydrophobicContact CG-CD2 4.45Å; L262-L264 HydrophobicContact CG-CG 4.05Å; L264-N267 VanDerWaalsContact C-ND2 3.27Å; L264-N267 PolarHBondContact O-ND2 3.25Å; L264-L269 HydrophobicContact CB-CD1 4.21Å; L264-L269 HydrophobicContact CD1-CD1 4.39Å; L264-L275 HydrophobicContact CD1-CD1 3.88Å; L264-L275 HydrophobicContact CD1-CD2 4.09Å; L264-L288 HydrophobicContact CD1-CD1 4.28Å; L264-N289 CarbonylContact C-O 3.5Å; L264-N289 WeakPolarHBondContact CA-O 3.49Å; L264-N289 WeakPolarHBondContact CB-O 3.26Å; L264-N289 PolarHBondContact N-O 3.06Å; L264-L290 HydrophobicContact CB-CD2 4.17Å; L264-L290 HydrophobicContact CD1-CD2 3.99Å; L264-N293 PolarHBondContact O-ND2 3.32Å
265	T	97.4	Very high	92.6	Very high	8 Å²	8	40.7 Å²	40.7	5%	0.049	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	138.7	-178.4	-63.5	0	0	0	0	112.4	E222 K223 N263 N267 N289 S291 R292	E222-T265 WeakPolarHBondContact CA-O 3.34Å; E222-T265 HydrophobicContact CG-CG2 4.32Å; K223-T265 PolarHBondContact N-O 3.28Å; N263-T265 VanDerWaalsContact OD1-CB 3.23Å; N263-T265 WeakPolarHBondContact OD1-CB 3.5Å; N263-T265 PolarHBondContact OD1-N 2.91Å; N263-T265 PolarHBondContact OD1-OG1 3.43Å; T265-N267 VanDerWaalsContact C-N 3.32Å; T265-N267 PolarHBondContact O-N 3.39Å; T265-N267 PolarHBondContact O-ND2 3.06Å; T265-N289 PolarHBondContact OG1-ND2 3.06Å; T265-N289 VanDerWaalsContact OG1-ND2 3.13Å; T265-N289 PolarHBondContact OG1-OD1 3.06Å; T265-S291 WeakPolarHBondContact CA-O 3.44Å; T265-S291 WeakPolarHBondContact CG2-OG 3.43Å; T265-S291 PolarHBondContact OG1-OG 3.39Å; T265-S291 VanDerWaalsContact OG1-OG 3.06Å; T265-R292 HydrophobicContact CG2-CB 4.26Å; T265-R292 HydrophobicContact CG2-CG 4.48Å
266	N	95.4	Very high	92	Very high	52 Å²	52	39.7 Å²	39.7	28%	0.278	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	40.8	170.9	-165.5	40.9	0	0	0	115.4	K223 S291 R292	K223-N266 WeakPolarHBondContact CE-ND2 3.41Å; K223-N266 HydrophobicContact CG-CB 4.1Å; K223-N266 VanDerWaalsContact CG-ND2 3.26Å; K223-N266 WeakPolarHBondContact CG-ND2 3.48Å; N266-S291 PolarHBondContact N-O 3.45Å; N266-S291 VanDerWaalsContact N-O 3.11Å; N266-R292 WeakPolarHBondContact CA-O 3.19Å; N266-R292 HydrophobicContact CB-CB 4.21Å
267	N	95.9	Very high	91.4	Very high	13 Å²	13	42.1 Å²	42.1	7%	0.07	22%	0.217	C	C	.	.	S	Bend	trans	-99.9	10.8	175.2	-78.3	-61	0	0	0	113.8	L221 F224 L239 L264 T265 L269 N293	L221-N267 PolarHBondContact O-ND2 2.73Å; F224-N267 PolarHBondContact N-OD1 3.05Å; F224-N267 VanDerWaalsContact N-OD1 3.14Å; L239-N267 HydrophobicContact CB-CB 4.2Å; L264-N267 VanDerWaalsContact C-ND2 3.27Å; L264-N267 PolarHBondContact O-ND2 3.25Å; T265-N267 VanDerWaalsContact C-N 3.32Å; T265-N267 PolarHBondContact O-N 3.39Å; T265-N267 PolarHBondContact O-ND2 3.06Å; N267-L269 HydrophobicContact CB-CD2 4.33Å; N267-L269 HydrophobicContact CB-CG 4.12Å; N267-L269 PolarHBondContact O-N 3.15Å; N267-N293 PolarHBondContact N-OD1 3.37Å
268	K	93.4	Very high	91.2	Very high	117 Å²	117	39 Å²	39	51%	0.509	20%	0.197	S	C	.	.			trans	55.5	35.1	-178.8	-54.6	177.5	-178.2	176	0	112.8	N240 Y270 N293 K294	N240-K268 WeakPolarHBondContact CB-O 3.26Å; N240-K268 PolarHBondContact ND2-O 3.38Å; K268-Y270 PolarHBondContact O-N 3.02Å; K268-N293 PolarHBondContact N-OD1 3.47Å; K268-K294 HydrophobicContact CB-CG 4.49Å
269	L	93.3	Very high	90.8	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	19%	0.186	C	C	.	.			trans	-67.3	122.2	174.9	-56.3	178.4	0	0	0	109.5	L239 N240 M245 L264 N267 L272 L290 N293 K294 L295	L239-L269 HydrophobicContact CB-CD2 4.3Å; L239-L269 WeakPolarHBondContact O-CD2 3.43Å; N240-L269 HydrophobicContact CB-CD2 4.01Å; M245-L269 HydrophobicContact CE-CD2 4.13Å; L264-L269 HydrophobicContact CB-CD1 4.21Å; L264-L269 HydrophobicContact CD1-CD1 4.39Å; N267-L269 HydrophobicContact CB-CD2 4.33Å; N267-L269 HydrophobicContact CB-CG 4.12Å; N267-L269 PolarHBondContact O-N 3.15Å; L269-L272 HydrophobicContact CD1-CD2 4.43Å; L269-L290 HydrophobicContact CD1-CD2 4.15Å; L269-N293 HydrophobicContact CB-CB 4.08Å; L269-N293 WeakPolarHBondContact CG-OD1 3.44Å; L269-N293 PolarHBondContact N-OD1 3.43Å; L269-K294 CarbonylContact O-C 3.59Å; L269-K294 VanDerWaalsContact O-C 3.25Å; L269-K294 VanDerWaalsContact O-CA 3.31Å; L269-K294 WeakPolarHBondContact O-CA 3.44Å; L269-K294 PolarHBondContact O-N 3.18Å; L269-L295 PolarHBondContact O-N 3.06Å
270	Y	89.8	Confident	90.4	Very high	117 Å²	117	42.8 Å²	42.8	46%	0.459	22%	0.218	S	C	.	.			trans	-110.4	-13	175.9	53.1	-95.7	0	0	0	112.8	N240 K268	N240-Y270 HydrophobicContact CB-CD1 4.31Å; N240-Y270 HydrophobicContact CB-CE1 3.95Å; K268-Y270 PolarHBondContact O-N 3.02Å
271	Q	88.3	Confident	89.9	Confident	102 Å²	102	41 Å²	41	48%	0.477	21%	0.207	S	C	.	.			trans	-141.8	148.3	176.1	-80.7	170	-26.7	0	0	109.5	E300	Q271-E300 VanDerWaalsContact CA-OE2 3.26Å; Q271-E300 WeakPolarHBondContact CA-OE2 3.36Å
272	L	89.4	Confident	89.6	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	20%	0.2	C	C	.	.			trans	-102.6	15	176.9	-58.9	-175.5	0	0	0	113.6	L269 G274 L275 L290 L295 E300 L301 K303 V304	L269-L272 HydrophobicContact CD1-CD2 4.43Å; L272-G274 PolarHBondContact O-N 3.46Å; L272-G274 VanDerWaalsContact O-N 3.14Å; L272-L275 HydrophobicContact CD2-CD1 3.92Å; L272-L275 WeakPolarHBondContact O-CB 3.4Å; L272-L275 PolarHBondContact O-N 2.92Å; L272-L290 HydrophobicContact CD1-CD1 3.86Å; L272-L290 HydrophobicContact CD2-CD1 4.37Å; L272-L290 HydrophobicContact CD2-CD2 4.22Å; L272-L295 HydrophobicContact CD1-CD1 4.28Å; L272-L295 HydrophobicContact CD2-CD1 4.27Å; L272-L295 HydrophobicContact CD2-CD2 3.95Å; L272-L295 HydrophobicContact CG-CD1 4.4Å; L272-L295 HydrophobicContact CG-CD2 3.96Å; L272-E300 HydrophobicContact CD1-CB 4.33Å; L272-E300 HydrophobicContact CG-CB 4.21Å; L272-E300 PolarHBondContact N-OE2 2.82Å; L272-L301 HydrophobicContact CD1-CD2 3.98Å; L272-K303 HydrophobicContact CB-CB 4.4Å; L272-K303 HydrophobicContact CB-CD 4.26Å; L272-V304 HydrophobicContact CD1-CG2 4.19Å
273	D	80.3	Confident	89.2	Confident	48 Å²	48	43.2 Å²	43.2	26%	0.257	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-18.2	179.3	-71.2	-49	0	0	0	114.8	R242 S276 K303	R242-D273 PolarHBondContact NE-O 2.92Å; R242-D273 PolarHBondContact NH2-O 3.29Å; D273-S276 PolarHBondContact O-OG 3.4Å; D273-K303 VanDerWaalsContact OD1-CD 3.3Å; D273-K303 WeakPolarHBondContact OD1-CD 3.3Å; D273-K303 WeakPolarHBondContact OD1-CE 3.38Å; D273-K303 IonicContact OD1-NZ 2.76Å; D273-K303 PolarHBondContact OD1-NZ 3.08Å; D273-K303 IonicContact OD2-NZ 3.68Å; D273-K303 PolarHBondContact OD2-NZ 2.94Å
274	G	78.1	Confident	89	Confident	12 Å²	12	47 Å²	47	12%	0.124	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-14.3	172.8	0	0	0	0	0	113.5	M245 L249 L272	M245-G274 WeakPolarHBondContact CG-O 3.18Å; L249-G274 WeakPolarHBondContact CD1-O 3.45Å; L272-G274 PolarHBondContact O-N 3.46Å; L272-G274 VanDerWaalsContact O-N 3.14Å
275	L	87	Confident	89	Confident	3 Å²	3	47 Å²	47	2%	0.016	24%	0.239	C	C	.	.	S	Bend	trans	-98.8	1.5	179.5	-62.2	-173.1	0	0	0	112.9	M245 L264 L272 D277 M278 L290 V304	M245-L275 HydrophobicContact CE-CD2 3.8Å; M245-L275 HydrophobicContact CG-CD2 3.68Å; M245-L275 HydrophobicContact SD-CD2 3.43Å; M245-L275 WeakPolarHBondContact SD-CD2 3.28Å; L264-L275 HydrophobicContact CD1-CD1 3.88Å; L264-L275 HydrophobicContact CD1-CD2 4.09Å; L272-L275 HydrophobicContact CD2-CD1 3.92Å; L272-L275 WeakPolarHBondContact O-CB 3.4Å; L272-L275 PolarHBondContact O-N 2.92Å; L275-D277 PolarHBondContact O-N 2.81Å; L275-D277 VanDerWaalsContact O-N 3.16Å; L275-M278 HydrophobicContact CB-CE 3.98Å; L275-M278 HydrophobicContact CD1-CE 3.8Å; L275-M278 HydrophobicContact CD2-CE 3.52Å; L275-M278 HydrophobicContact CG-CE 3.96Å; L275-M278 WeakPolarHBondContact O-CB 3.45Å; L275-M278 PolarHBondContact O-N 2.92Å; L275-L290 HydrophobicContact CD1-CD2 4.15Å; L275-V304 HydrophobicContact CB-CG1 3.77Å; L275-V304 HydrophobicContact CD1-CG1 4.4Å
276	S	81.4	Confident	88.9	Confident	49 Å²	49	50.5 Å²	50.5	34%	0.343	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-31.2	-179.6	54.7	0	0	0	0	113.1	D273 M278	D273-S276 PolarHBondContact O-OG 3.4Å; S276-M278 VanDerWaalsContact C-N 3.27Å; S276-M278 PolarHBondContact O-N 2.95Å
277	D	82.1	Confident	89	Confident	61 Å²	61	50.6 Å²	50.6	33%	0.326	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	3.4	-176.5	-52.5	-10.1	0	0	0	112.1	L275 T279 E280 K281	L275-D277 PolarHBondContact O-N 2.81Å; L275-D277 VanDerWaalsContact O-N 3.16Å; D277-T279 VanDerWaalsContact C-N 3.26Å; D277-T279 PolarHBondContact O-N 2.98Å; D277-E280 PolarHBondContact O-N 2.76Å; D277-K281 HydrophobicContact CB-CD 4.04Å; D277-K281 HydrophobicContact CB-CG 4.39Å; D277-K281 WeakPolarHBondContact O-CB 3.46Å; D277-K281 WeakPolarHBondContact O-CG 3.38Å; D277-K281 PolarHBondContact O-N 2.82Å; D277-K281 IonicContact OD2-NZ 2.68Å; D277-K281 PolarHBondContact OD2-NZ 2.91Å
278	M	87.3	Confident	89	Confident	1 Å²	1	50 Å²	50	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-65.6	-30	-175.1	-166.2	-173.1	-63.7	0	0	112.1	L249 L262 L275 S276 E280 A282 L288 L307	L249-M278 HydrophobicContact CD2-CG 4.42Å; L262-M278 HydrophobicContact CD2-CE 3.83Å; L262-M278 HydrophobicContact CD2-SD 4.41Å; L275-M278 HydrophobicContact CB-CE 3.98Å; L275-M278 HydrophobicContact CD1-CE 3.8Å; L275-M278 HydrophobicContact CD2-CE 3.52Å; L275-M278 HydrophobicContact CG-CE 3.96Å; L275-M278 WeakPolarHBondContact O-CB 3.45Å; L275-M278 PolarHBondContact O-N 2.92Å; S276-M278 VanDerWaalsContact C-N 3.27Å; S276-M278 PolarHBondContact O-N 2.95Å; M278-E280 VanDerWaalsContact C-N 3.26Å; M278-E280 PolarHBondContact O-N 3.28Å; M278-A282 HydrophobicContact CG-CB 4.01Å; M278-A282 CarbonylContact O-C 3.44Å; M278-A282 WeakPolarHBondContact O-CA 3.38Å; M278-A282 PolarHBondContact O-N 3.45Å; M278-L288 HydrophobicContact CE-CD1 4.31Å; M278-L307 HydrophobicContact CB-CD1 4.43Å; M278-L307 HydrophobicContact CB-CD2 4.31Å; M278-L307 HydrophobicContact CG-CD1 4.21Å; M278-L307 HydrophobicContact CG-CD2 4.14Å; M278-L307 HydrophobicContact SD-CD1 3.36Å; M278-L307 WeakPolarHBondContact SD-CD1 3.37Å; M278-L307 HydrophobicContact SD-CD2 4.26Å; M278-L307 HydrophobicContact SD-CG 4.46Å
279	T	85.4	Confident	89.2	Confident	49 Å²	49	45.7 Å²	45.7	30%	0.301	23%	0.232	S	C	.	.	H	α-helix	trans	-63.7	-31.2	175.8	46.8	0	0	0	0	113.1	D277 P283 E306 L307	D277-T279 VanDerWaalsContact C-N 3.26Å; D277-T279 PolarHBondContact O-N 2.98Å; T279-P283 WeakPolarHBondContact O-CB 3.32Å; T279-E306 HydrophobicContact CG2-CB 3.5Å; T279-L307 HydrophobicContact CG2-CD2 3.8Å; T279-L307 HydrophobicContact CG2-CG 4.27Å
280	E	86.1	Confident	89.4	Confident	145 Å²	145	45.5 Å²	45.5	68%	0.678	23%	0.231	S	C	*	.	H	α-helix	trans	-86.9	-45.5	176.1	-174.4	-177	163.9	0	0	111.3	D277 M278	D277-E280 PolarHBondContact O-N 2.76Å; M278-E280 VanDerWaalsContact C-N 3.26Å; M278-E280 PolarHBondContact O-N 3.28Å
281	K	86.8	Confident	89.8	Confident	24 Å²	24	40.4 Å²	40.4	10%	0.104	21%	0.213	C	C	.	.	H	α-helix	trans	-83.9	-26.5	-170.5	-65.5	-176.5	176.2	165.5	0	114.2	L249 Q253 D277	L249-K281 HydrophobicContact CB-CB 4.31Å; L249-K281 HydrophobicContact CB-CD 3.61Å; L249-K281 HydrophobicContact CD1-CD 4.45Å; Q253-K281 HydrophobicContact CB-CB 4.18Å; D277-K281 HydrophobicContact CB-CD 4.04Å; D277-K281 HydrophobicContact CB-CG 4.39Å; D277-K281 WeakPolarHBondContact O-CB 3.46Å; D277-K281 WeakPolarHBondContact O-CG 3.38Å; D277-K281 PolarHBondContact O-N 2.82Å; D277-K281 IonicContact OD2-NZ 2.68Å; D277-K281 PolarHBondContact OD2-NZ 2.91Å
282	A	91.1	Very high	90.1	Very high	3 Å²	3	42.8 Å²	42.8	3%	0.025	22%	0.217	C	C	.	.			trans	-144.3	62.3	-178.3	0	0	0	0	0	111.4	I252 M278 H284 V285	I252-A282 HydrophobicContact CG2-CB 3.84Å; M278-A282 HydrophobicContact CG-CB 4.01Å; M278-A282 CarbonylContact O-C 3.44Å; M278-A282 WeakPolarHBondContact O-CA 3.38Å; M278-A282 PolarHBondContact O-N 3.45Å; A282-H284 PolarHBondContact O-N 3.06Å; A282-V285 HydrophobicContact CB-CG2 3.74Å; A282-V285 WeakPolarHBondContact O-CG2 3.39Å; A282-V285 PolarHBondContact O-N 2.85Å
283	P	90.8	Very high	90.5	Very high	73 Å²	73	42.8 Å²	42.8	47%	0.474	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.8	-171	26.6	-35.4	0	0	0	114.5	T279	T279-P283 WeakPolarHBondContact O-CB 3.32Å
284	H	93.6	Very high	91.2	Very high	104 Å²	104	45.9 Å²	45.9	48%	0.481	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-3.2	-175.8	-57.3	110.5	0	0	0	113.8	P257 L259 L260 A282 K286	P257-H284 PolarHBondContact O-ND1 2.96Å; L259-H284 CarbonylContact O-C 3.51Å; L259-H284 VanDerWaalsContact O-C 3.27Å; L260-H284 HydrophobicContact CD2-CB 4.31Å; L260-H284 WeakPolarHBondContact CD2-O 3.41Å; A282-H284 PolarHBondContact O-N 3.06Å; H284-K286 PolarHBondContact O-N 2.89Å
285	V	95.6	Very high	91.9	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	22%	0.223	C	C	.	.			trans	-64.1	123.7	-179.7	175.5	0	0	0	0	109.9	L259 L262 A282 L309	L259-V285 HydrophobicContact CB-CG2 4.43Å; L259-V285 HydrophobicContact CD2-CG2 4.15Å; L259-V285 HydrophobicContact CG-CG2 4.27Å; L259-V285 PolarHBondContact O-N 3.15Å; L262-V285 HydrophobicContact CB-CG1 4.4Å; A282-V285 HydrophobicContact CB-CG2 3.74Å; A282-V285 WeakPolarHBondContact O-CG2 3.39Å; A282-V285 PolarHBondContact O-N 2.85Å; V285-L309 HydrophobicContact CG1-CD2 4.27Å
286	K	95.4	Very high	91.9	Very high	81 Å²	81	53.3 Å²	53.3	35%	0.352	26%	0.257	S	S	.	.			trans	-114.8	-28.2	179.5	-71.7	174.8	169.5	-147.8	0	112.5	L260 H284 L309 E310 E311	L260-K286 HydrophobicContact CD2-CD 4.43Å; L260-K286 PolarHBondContact O-N 3.5Å; H284-K286 PolarHBondContact O-N 2.89Å; K286-L309 CarbonylContact O-C 3.57Å; K286-L309 WeakPolarHBondContact O-CA 3.47Å; K286-E310 HydrophobicContact CB-CB 4.38Å; K286-E310 HydrophobicContact CB-CG 4.31Å; K286-E310 HydrophobicContact CD-CG 4.43Å; K286-E310 WeakPolarHBondContact CD-OE1 3.48Å; K286-E310 VanDerWaalsContact CE-OE1 3.26Å; K286-E310 WeakPolarHBondContact CE-OE1 3.48Å; K286-E310 HydrophobicContact CG-CG 4.39Å; K286-E310 IonicContact NZ-OE1 2.83Å; K286-E310 PolarHBondContact NZ-OE1 3.34Å; K286-E310 IonicContact NZ-OE2 2.65Å; K286-E310 PolarHBondContact O-N 3.18Å; K286-E311 PolarHBondContact O-N 2.81Å; K286-E311 VanDerWaalsContact O-N 3.14Å
287	I	97.3	Very high	92.1	Very high	53 Å²	53	53.1 Å²	53.1	27%	0.272	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	122.5	-179.1	-50.5	-177.6	0	0	0	108.1	L260 S261 L262 E311	L260-I287 PolarHBondContact O-N 3.49Å; S261-I287 WeakPolarHBondContact CA-O 3.43Å; L262-I287 PolarHBondContact N-O 3.49Å; I287-E311 WeakPolarHBondContact CA-O 2.92Å; I287-E311 HydrophobicContact CB-CB 4.41Å; I287-E311 HydrophobicContact CG1-CB 4.09Å; I287-E311 HydrophobicContact CG2-CB 4.03Å; I287-E311 HydrophobicContact CG2-CG 4.11Å
288	L	97.5	Very high	92.2	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	124.3	178.8	-179	63.3	0	0	0	110.1	L262 L264 M278 L290 L307 L309 E311 L312 W313	L262-L288 HydrophobicContact CB-CD1 4.18Å; L262-L288 HydrophobicContact CD2-CD1 4.14Å; L262-L288 HydrophobicContact CG-CD1 4.26Å; L264-L288 HydrophobicContact CD1-CD1 4.28Å; M278-L288 HydrophobicContact CE-CD1 4.31Å; L288-L290 HydrophobicContact CD1-CD2 4.41Å; L288-L290 HydrophobicContact CD2-CD1 3.93Å; L288-L290 HydrophobicContact CD2-CG 4.13Å; L288-L290 HydrophobicContact CG-CD1 4.35Å; L288-L290 HydrophobicContact CG-CD2 4.43Å; L288-L290 HydrophobicContact CG-CG 4.02Å; L288-L307 HydrophobicContact CD2-CD1 4.47Å; L288-L309 HydrophobicContact CB-CD1 4.05Å; L288-L309 HydrophobicContact CB-CD2 3.9Å; L288-L309 HydrophobicContact CD2-CD1 4.16Å; L288-E311 PolarHBondContact N-O 2.91Å; L288-L312 HydrophobicContact CB-CD1 4.19Å; L288-L312 HydrophobicContact CD2-CD1 4.4Å; L288-L312 HydrophobicContact CG-CD1 4.37Å; L288-L312 WeakPolarHBondContact O-CA 3.48Å; L288-L312 WeakPolarHBondContact O-CD1 3.45Å; L288-W313 PolarHBondContact O-N 3.09Å
289	N	97.8	Very high	92.1	Very high	28 Å²	28	56.6 Å²	56.6	15%	0.15	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	111.9	175.7	-173.5	-14.4	0	0	0	111.4	L262 N263 L264 T265 S291 W313	L262-N289 PolarHBondContact O-N 2.94Å; N263-N289 HydrophobicContact CB-CB 4.43Å; N263-N289 WeakPolarHBondContact OD1-CB 3.5Å; N263-N289 PolarHBondContact OD1-ND2 2.82Å; L264-N289 CarbonylContact C-O 3.5Å; L264-N289 WeakPolarHBondContact CA-O 3.49Å; L264-N289 WeakPolarHBondContact CB-O 3.26Å; L264-N289 PolarHBondContact N-O 3.06Å; T265-N289 PolarHBondContact OG1-ND2 3.06Å; T265-N289 VanDerWaalsContact OG1-ND2 3.13Å; T265-N289 PolarHBondContact OG1-OD1 3.06Å; N289-S291 WeakPolarHBondContact OD1-CB 3.36Å; N289-S291 PolarHBondContact OD1-N 3.48Å; N289-S291 PolarHBondContact OD1-OG 3.05Å; N289-W313 HydrophobicContact CB-CB 4Å; N289-W313 HydrophobicContact CB-CG 4.17Å; N289-W313 VanDerWaalsContact CG-CB 3.5Å; N289-W313 VanDerWaalsContact OD1-CB 3.29Å; N289-W313 WeakPolarHBondContact OD1-CB 3.4Å
290	L	97.3	Very high	92.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.265	C	S	.	.			trans	-112.9	14.4	177.4	-63.4	172	0	0	0	112	L264 L269 L272 L275 L288 N293 L301 L312 W313 L314 N317	L264-L290 HydrophobicContact CB-CD2 4.17Å; L264-L290 HydrophobicContact CD1-CD2 3.99Å; L269-L290 HydrophobicContact CD1-CD2 4.15Å; L272-L290 HydrophobicContact CD1-CD1 3.86Å; L272-L290 HydrophobicContact CD2-CD1 4.37Å; L272-L290 HydrophobicContact CD2-CD2 4.22Å; L275-L290 HydrophobicContact CD1-CD2 4.15Å; L288-L290 HydrophobicContact CD1-CD2 4.41Å; L288-L290 HydrophobicContact CD2-CD1 3.93Å; L288-L290 HydrophobicContact CD2-CG 4.13Å; L288-L290 HydrophobicContact CG-CD1 4.35Å; L288-L290 HydrophobicContact CG-CD2 4.43Å; L288-L290 HydrophobicContact CG-CG 4.02Å; L290-N293 WeakPolarHBondContact O-CB 3.24Å; L290-N293 PolarHBondContact O-ND2 2.94Å; L290-L301 HydrophobicContact CD1-CD2 4.09Å; L290-L312 HydrophobicContact CD1-CD1 4.5Å; L290-W313 CarbonylContact C-O 3.57Å; L290-W313 WeakPolarHBondContact CA-O 3.29Å; L290-W313 PolarHBondContact N-O 3.45Å; L290-L314 HydrophobicContact CB-CD2 4.17Å; L290-L314 HydrophobicContact CD1-CD2 4.27Å; L290-N317 PolarHBondContact O-ND2 3.42Å
291	S	97	Very high	92.5	Very high	10 Å²	10	48.7 Å²	48.7	7%	0.07	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	155.7	-176.6	71.9	0	0	0	0	112.7	T265 N266 N289 N293 W313 E315	T265-S291 WeakPolarHBondContact CA-O 3.44Å; T265-S291 WeakPolarHBondContact CG2-OG 3.43Å; T265-S291 PolarHBondContact OG1-OG 3.39Å; T265-S291 VanDerWaalsContact OG1-OG 3.06Å; N266-S291 PolarHBondContact N-O 3.45Å; N266-S291 VanDerWaalsContact N-O 3.11Å; N289-S291 WeakPolarHBondContact OD1-CB 3.36Å; N289-S291 PolarHBondContact OD1-N 3.48Å; N289-S291 PolarHBondContact OD1-OG 3.05Å; S291-N293 PolarHBondContact O-N 3.19Å; S291-N293 VanDerWaalsContact O-N 3.08Å; S291-N293 PolarHBondContact O-ND2 2.73Å; S291-W313 PolarHBondContact N-O 2.92Å; S291-E315 CarbonylContact C-O 3.49Å; S291-E315 VanDerWaalsContact CA-O 3.26Å; S291-E315 WeakPolarHBondContact CA-O 3.36Å; S291-E315 VanDerWaalsContact CB-O 3.31Å; S291-E315 WeakPolarHBondContact CB-O 3.49Å
292	R	95.8	Very high	92.5	Very high	152 Å²	152	51.9 Å²	51.9	57%	0.574	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	29	175.9	-54.5	179.9	178.1	-153.1	-2.7	114.2	T265 N266 E315	T265-R292 HydrophobicContact CG2-CB 4.26Å; T265-R292 HydrophobicContact CG2-CG 4.48Å; N266-R292 WeakPolarHBondContact CA-O 3.19Å; N266-R292 HydrophobicContact CB-CB 4.21Å; R292-E315 PolarHBondContact N-O 2.82Å
293	N	96.9	Very high	92.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-92.3	-164	172.6	-81.3	-65.5	0	0	0	110.9	L264 N267 K268 L269 L290 S291 N317	L264-N293 PolarHBondContact O-ND2 3.32Å; N267-N293 PolarHBondContact N-OD1 3.37Å; K268-N293 PolarHBondContact N-OD1 3.47Å; L269-N293 HydrophobicContact CB-CB 4.08Å; L269-N293 WeakPolarHBondContact CG-OD1 3.44Å; L269-N293 PolarHBondContact N-OD1 3.43Å; L290-N293 WeakPolarHBondContact O-CB 3.24Å; L290-N293 PolarHBondContact O-ND2 2.94Å; S291-N293 PolarHBondContact O-N 3.19Å; S291-N293 VanDerWaalsContact O-N 3.08Å; S291-N293 PolarHBondContact O-ND2 2.73Å; N293-N317 WeakPolarHBondContact CA-OD1 3.41Å; N293-N317 WeakPolarHBondContact CB-OD1 3.28Å; N293-N317 PolarHBondContact N-OD1 3.33Å; N293-N317 PolarHBondContact O-OD1 2.95Å
294	K	94.3	Very high	92.3	Very high	113 Å²	113	51.4 Å²	51.4	49%	0.491	24%	0.238	S	C	.	.			trans	-122	29.8	-174.3	-60.8	-61.9	174.6	-163	0	112.2	K268 L269 K296 N317	K268-K294 HydrophobicContact CB-CG 4.49Å; L269-K294 CarbonylContact O-C 3.59Å; L269-K294 VanDerWaalsContact O-C 3.25Å; L269-K294 VanDerWaalsContact O-CA 3.31Å; L269-K294 WeakPolarHBondContact O-CA 3.44Å; L269-K294 PolarHBondContact O-N 3.18Å; K294-K296 PolarHBondContact O-N 2.68Å; K294-N317 PolarHBondContact N-OD1 2.99Å
295	L	92.8	Very high	92.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.237	C	C	.	.			trans	-67.6	119.6	177	-59	174.3	0	0	0	109.7	L269 L272 E300 N317 P318 F319	L269-L295 PolarHBondContact O-N 3.06Å; L272-L295 HydrophobicContact CD1-CD1 4.28Å; L272-L295 HydrophobicContact CD2-CD1 4.27Å; L272-L295 HydrophobicContact CD2-CD2 3.95Å; L272-L295 HydrophobicContact CG-CD1 4.4Å; L272-L295 HydrophobicContact CG-CD2 3.96Å; L295-E300 HydrophobicContact CD2-CB 4.27Å; L295-E300 HydrophobicContact CD2-CG 4.39Å; L295-N317 HydrophobicContact CB-CB 4.26Å; L295-N317 WeakPolarHBondContact CB-OD1 3.33Å; L295-N317 WeakPolarHBondContact CG-OD1 3.4Å; L295-N317 PolarHBondContact N-OD1 2.87Å; L295-P318 WeakPolarHBondContact O-CD 3.42Å; L295-F319 HydrophobicContact CB-CD1 3.65Å; L295-F319 HydrophobicContact CB-CE1 3.81Å; L295-F319 HydrophobicContact CD1-CE1 4.13Å; L295-F319 WeakPolarHBondContact O-CD1 3.22Å; L295-F319 PolarHBondContact O-N 2.79Å; L295-F319 VanDerWaalsContact O-N 3.09Å
296	K	87.3	Confident	91.7	Very high	172 Å²	172	58.2 Å²	58.2	75%	0.748	27%	0.268	S	S	*	.			trans	-94.7	-17.6	-177.9	-64.9	-177.4	-179.7	179.4	0	113.8	K294 P318	K294-K296 PolarHBondContact O-N 2.68Å; K296-P318 HydrophobicContact CG-CB 4.45Å
297	S	85.7	Confident	91.4	Very high	45 Å²	45	54.8 Å²	54.8	32%	0.315	25%	0.254	S	S	.	.			trans	-132.9	134.8	-177.8	-174.7	0	0	0	0	109.8	T299 E300	S297-T299 WeakPolarHBondContact CB-OG1 3.43Å; S297-T299 PolarHBondContact O-N 2.77Å; S297-T299 PolarHBondContact OG-N 3.14Å; S297-T299 PolarHBondContact OG-OG1 3.04Å; S297-E300 WeakPolarHBondContact O-CB 3.34Å; S297-E300 PolarHBondContact O-N 3.22Å
298	F	85.1	Confident	91.1	Very high	80 Å²	80	59.2 Å²	59.2	35%	0.351	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-65.6	-23.3	174.7	79	-86.2	0	0	0	112.1	E300 L301 F319 T332 L336	F298-E300 PolarHBondContact O-N 3.36Å; F298-L301 VanDerWaalsContact O-CB 3.3Å; F298-L301 WeakPolarHBondContact O-CB 3.3Å; F298-L301 WeakPolarHBondContact O-CG 3.44Å; F298-L301 PolarHBondContact O-N 3.33Å; F298-F319 HydrophobicContact CB-CD2 3.96Å; F298-F319 HydrophobicContact CB-CE2 4.34Å; F298-F319 HydrophobicContact CB-CG 4.44Å; F298-T332 HydrophobicContact CD2-CG2 4.17Å; F298-T332 HydrophobicContact CE2-CG2 4.23Å; F298-L336 HydrophobicContact CD2-CD1 4.29Å
299	T	84.8	Confident	90.9	Very high	55 Å²	55	59.3 Å²	59.3	34%	0.337	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-58.3	-20.2	176.3	61.6	0	0	0	0	113.2	S297 L301 E302	S297-T299 WeakPolarHBondContact CB-OG1 3.43Å; S297-T299 PolarHBondContact O-N 2.77Å; S297-T299 PolarHBondContact OG-N 3.14Å; S297-T299 PolarHBondContact OG-OG1 3.04Å; T299-L301 PolarHBondContact O-N 3.16Å; T299-E302 WeakPolarHBondContact O-CB 3.31Å; T299-E302 PolarHBondContact O-N 3.47Å
300	E	88.6	Confident	90.8	Very high	27 Å²	27	61.5 Å²	61.5	13%	0.126	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-61.4	-29.5	173.9	-70.1	-63.3	131.1	0	0	112	Q271 L272 L295 S297 F298 E302 K303	Q271-E300 VanDerWaalsContact CA-OE2 3.26Å; Q271-E300 WeakPolarHBondContact CA-OE2 3.36Å; L272-E300 HydrophobicContact CD1-CB 4.33Å; L272-E300 HydrophobicContact CG-CB 4.21Å; L272-E300 PolarHBondContact N-OE2 2.82Å; L295-E300 HydrophobicContact CD2-CB 4.27Å; L295-E300 HydrophobicContact CD2-CG 4.39Å; S297-E300 WeakPolarHBondContact O-CB 3.34Å; S297-E300 PolarHBondContact O-N 3.22Å; F298-E300 PolarHBondContact O-N 3.36Å; E300-E302 PolarHBondContact O-N 3.02Å; E300-K303 WeakPolarHBondContact O-CB 3.03Å; E300-K303 PolarHBondContact O-N 3.14Å; E300-K303 IonicContact OE1-NZ 2.81Å; E300-K303 PolarHBondContact OE1-NZ 3.47Å; E300-K303 WeakPolarHBondContact OE2-CE 3.31Å; E300-K303 IonicContact OE2-NZ 3.22Å; E300-K303 PolarHBondContact OE2-NZ 3.27Å
301	L	91	Very high	90.8	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.005	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-67.9	-21.4	177.8	-60.1	174.2	0	0	0	112.8	L272 L290 F298 T299 K303 V304 K305 L314 F319 I333 L336 F337	L272-L301 HydrophobicContact CD1-CD2 3.98Å; L290-L301 HydrophobicContact CD1-CD2 4.09Å; F298-L301 VanDerWaalsContact O-CB 3.3Å; F298-L301 WeakPolarHBondContact O-CB 3.3Å; F298-L301 WeakPolarHBondContact O-CG 3.44Å; F298-L301 PolarHBondContact O-N 3.33Å; T299-L301 PolarHBondContact O-N 3.16Å; L301-K303 PolarHBondContact O-N 2.93Å; L301-K303 VanDerWaalsContact O-N 3.14Å; L301-V304 VanDerWaalsContact O-CG2 3.31Å; L301-V304 WeakPolarHBondContact O-CG2 3.33Å; L301-V304 PolarHBondContact O-N 3.16Å; L301-K305 PolarHBondContact O-N 3.37Å; L301-K305 VanDerWaalsContact O-N 3.16Å; L301-L314 HydrophobicContact CD1-CD1 3.75Å; L301-L314 HydrophobicContact CD1-CD2 4.2Å; L301-L314 HydrophobicContact CD2-CD2 3.68Å; L301-F319 HydrophobicContact CD1-CZ 4.25Å; L301-I333 HydrophobicContact CD1-CD1 3.55Å; L301-L336 HydrophobicContact CB-CD1 4.16Å; L301-F337 HydrophobicContact CB-CE2 4.2Å; L301-F337 HydrophobicContact CB-CZ 4.39Å
302	E	87.9	Confident	90.8	Very high	90 Å²	90	62.7 Å²	62.7	42%	0.421	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-60.3	-25	174.4	-66.5	178.4	-160.7	0	0	112.5	T299 E300 V304 K305 L336	T299-E302 WeakPolarHBondContact O-CB 3.31Å; T299-E302 PolarHBondContact O-N 3.47Å; E300-E302 PolarHBondContact O-N 3.02Å; E302-V304 PolarHBondContact O-N 3.04Å; E302-K305 HydrophobicContact CB-CD 4.38Å; E302-K305 WeakPolarHBondContact O-CD 3.35Å; E302-K305 WeakPolarHBondContact O-CG 3.17Å; E302-K305 PolarHBondContact O-N 2.83Å; E302-L336 HydrophobicContact CG-CD2 4.17Å
303	K	87.1	Confident	90.8	Very high	64 Å²	64	58.9 Å²	58.9	28%	0.278	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-71	-18.4	178.8	-60.1	174.4	-175.9	172.7	0	112.8	L272 D273 E300 L301	L272-K303 HydrophobicContact CB-CB 4.4Å; L272-K303 HydrophobicContact CB-CD 4.26Å; D273-K303 VanDerWaalsContact OD1-CD 3.3Å; D273-K303 WeakPolarHBondContact OD1-CD 3.3Å; D273-K303 WeakPolarHBondContact OD1-CE 3.38Å; D273-K303 IonicContact OD1-NZ 2.76Å; D273-K303 PolarHBondContact OD1-NZ 3.08Å; D273-K303 IonicContact OD2-NZ 3.68Å; D273-K303 PolarHBondContact OD2-NZ 2.94Å; E300-K303 WeakPolarHBondContact O-CB 3.03Å; E300-K303 PolarHBondContact O-N 3.14Å; E300-K303 IonicContact OE1-NZ 2.81Å; E300-K303 PolarHBondContact OE1-NZ 3.47Å; E300-K303 WeakPolarHBondContact OE2-CE 3.31Å; E300-K303 IonicContact OE2-NZ 3.22Å; E300-K303 PolarHBondContact OE2-NZ 3.27Å; L301-K303 PolarHBondContact O-N 2.93Å; L301-K303 VanDerWaalsContact O-N 3.14Å
304	V	90.4	Very high	90.8	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.012	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-119.6	8.2	179.5	-63.1	0	0	0	0	112.4	L272 L275 L301 E302 E306 L307 F337	L272-V304 HydrophobicContact CD1-CG2 4.19Å; L275-V304 HydrophobicContact CB-CG1 3.77Å; L275-V304 HydrophobicContact CD1-CG1 4.4Å; L301-V304 VanDerWaalsContact O-CG2 3.31Å; L301-V304 WeakPolarHBondContact O-CG2 3.33Å; L301-V304 PolarHBondContact O-N 3.16Å; E302-V304 PolarHBondContact O-N 3.04Å; V304-E306 PolarHBondContact O-N 3.17Å; V304-E306 VanDerWaalsContact O-N 3.15Å; V304-L307 HydrophobicContact CB-CD1 3.91Å; V304-L307 HydrophobicContact CG1-CD1 4.41Å; V304-L307 WeakPolarHBondContact O-CB 3.36Å; V304-L307 WeakPolarHBondContact O-CG 3.41Å; V304-L307 PolarHBondContact O-N 3.33Å; V304-L307 VanDerWaalsContact O-N 3.08Å; V304-F337 HydrophobicContact CG2-CZ 4.12Å
305	K	87.8	Confident	90.8	Very high	108 Å²	108	58.8 Å²	58.8	47%	0.47	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.6	-177.7	76.2	-173.3	178	178.3	0	114.8	L301 E302 L307	L301-K305 PolarHBondContact O-N 3.37Å; L301-K305 VanDerWaalsContact O-N 3.16Å; E302-K305 HydrophobicContact CB-CD 4.38Å; E302-K305 WeakPolarHBondContact O-CD 3.35Å; E302-K305 WeakPolarHBondContact O-CG 3.17Å; E302-K305 PolarHBondContact O-N 2.83Å; K305-L307 PolarHBondContact O-N 3.46Å
306	E	88	Confident	90.6	Very high	142 Å²	142	60.9 Å²	60.9	66%	0.664	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-14.2	179.8	-71.8	-179.2	-173	0	0	112.4	T279 V304	T279-E306 HydrophobicContact CG2-CB 3.5Å; V304-E306 PolarHBondContact O-N 3.17Å; V304-E306 VanDerWaalsContact O-N 3.15Å
307	L	89.3	Confident	91	Very high	9 Å²	9	52.8 Å²	52.8	5%	0.047	26%	0.259	C	S	.	.	S	Bend	trans	-70.7	136.2	173.2	-61.2	174.1	0	0	0	110.6	M278 T279 L288 V304 K305 L309	M278-L307 HydrophobicContact CB-CD1 4.43Å; M278-L307 HydrophobicContact CB-CD2 4.31Å; M278-L307 HydrophobicContact CG-CD1 4.21Å; M278-L307 HydrophobicContact CG-CD2 4.14Å; M278-L307 HydrophobicContact SD-CD1 3.36Å; M278-L307 WeakPolarHBondContact SD-CD1 3.37Å; M278-L307 HydrophobicContact SD-CD2 4.26Å; M278-L307 HydrophobicContact SD-CG 4.46Å; T279-L307 HydrophobicContact CG2-CD2 3.8Å; T279-L307 HydrophobicContact CG2-CG 4.27Å; L288-L307 HydrophobicContact CD2-CD1 4.47Å; V304-L307 HydrophobicContact CB-CD1 3.91Å; V304-L307 HydrophobicContact CG1-CD1 4.41Å; V304-L307 WeakPolarHBondContact O-CB 3.36Å; V304-L307 WeakPolarHBondContact O-CG 3.41Å; V304-L307 PolarHBondContact O-N 3.33Å; V304-L307 VanDerWaalsContact O-N 3.08Å; K305-L307 PolarHBondContact O-N 3.46Å; L307-L309 HydrophobicContact CB-CD1 4.44Å; L307-L309 HydrophobicContact CB-CD2 4.03Å; L307-L309 HydrophobicContact CB-CG 3.85Å; L307-L309 HydrophobicContact CD1-CD2 4.38Å; L307-L309 PolarHBondContact O-N 2.94Å
308	K	90.4	Very high	91.2	Very high	146 Å²	146	52.9 Å²	52.9	64%	0.635	26%	0.259	S	S	*	.			trans	-87.1	61.7	178.8	-64.9	173.8	-175.2	167.8	0	110.3	K339	K308-K339 HydrophobicContact CB-CD 4.5Å
309	L	94.5	Very high	91.5	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	24%	0.242	C	C	.	.			trans	-69.3	138.4	-176.9	-59.3	177.4	0	0	0	111.9	V285 K286 L288 L307 L312 F337 K339 L340	V285-L309 HydrophobicContact CG1-CD2 4.27Å; K286-L309 CarbonylContact O-C 3.57Å; K286-L309 WeakPolarHBondContact O-CA 3.47Å; L288-L309 HydrophobicContact CB-CD1 4.05Å; L288-L309 HydrophobicContact CB-CD2 3.9Å; L288-L309 HydrophobicContact CD2-CD1 4.16Å; L307-L309 HydrophobicContact CB-CD1 4.44Å; L307-L309 HydrophobicContact CB-CD2 4.03Å; L307-L309 HydrophobicContact CB-CG 3.85Å; L307-L309 HydrophobicContact CD1-CD2 4.38Å; L307-L309 PolarHBondContact O-N 2.94Å; L309-L312 HydrophobicContact CD1-CD1 4.16Å; L309-F337 HydrophobicContact CB-CD1 4.43Å; L309-F337 HydrophobicContact CD1-CD1 4.06Å; L309-F337 HydrophobicContact CD1-CE1 3.8Å; L309-F337 HydrophobicContact CD1-CZ 4.41Å; L309-F337 HydrophobicContact CG-CD1 4.44Å; L309-F337 HydrophobicContact CG-CE1 4.48Å; L309-K339 CarbonylContact O-C 3.51Å; L309-L340 HydrophobicContact CB-CD1 4.2Å; L309-L340 PolarHBondContact O-N 3.41Å
310	E	94.8	Very high	91.5	Very high	74 Å²	74	47.9 Å²	47.9	35%	0.346	24%	0.235	S	C	.	.	S	Bend	trans	-103	-28.9	172.1	-66.3	177.1	-171.4	0	0	110.9	K286 L341 R342	K286-E310 HydrophobicContact CB-CB 4.38Å; K286-E310 HydrophobicContact CB-CG 4.31Å; K286-E310 HydrophobicContact CD-CG 4.43Å; K286-E310 WeakPolarHBondContact CD-OE1 3.48Å; K286-E310 VanDerWaalsContact CE-OE1 3.26Å; K286-E310 WeakPolarHBondContact CE-OE1 3.48Å; K286-E310 HydrophobicContact CG-CG 4.39Å; K286-E310 IonicContact NZ-OE1 2.83Å; K286-E310 PolarHBondContact NZ-OE1 3.34Å; K286-E310 IonicContact NZ-OE2 2.65Å; K286-E310 PolarHBondContact O-N 3.18Å; E310-L341 HydrophobicContact CB-CD1 4.44Å; E310-L341 WeakPolarHBondContact O-CA 3.17Å; E310-L341 WeakPolarHBondContact O-CB 3.45Å; E310-L341 PolarHBondContact O-N 3.4Å; E310-R342 PolarHBondContact O-N 3.09Å; E310-R342 VanDerWaalsContact O-N 3.08Å
311	E	96.6	Very high	91.3	Very high	34 Å²	34	53.5 Å²	53.5	16%	0.159	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	135.7	177.1	-179.4	170.9	156.9	0	0	111.9	K286 I287 L288 W313 R342	K286-E311 PolarHBondContact O-N 2.81Å; K286-E311 VanDerWaalsContact O-N 3.14Å; I287-E311 WeakPolarHBondContact CA-O 2.92Å; I287-E311 HydrophobicContact CB-CB 4.41Å; I287-E311 HydrophobicContact CG1-CB 4.09Å; I287-E311 HydrophobicContact CG2-CB 4.03Å; I287-E311 HydrophobicContact CG2-CG 4.11Å; L288-E311 PolarHBondContact N-O 2.91Å; E311-W313 WeakPolarHBondContact OE1-CZ2 3.5Å; E311-W313 PolarHBondContact OE1-NE1 2.77Å; E311-R342 WeakPolarHBondContact CA-O 3.34Å; E311-R342 HydrophobicContact CB-CB 4.18Å; E311-R342 HydrophobicContact CG-CB 3.87Å
312	L	96.9	Very high	90.7	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	137.1	-175.8	-180	60.2	0	0	0	110.2	L288 L290 L309 L314 I333 F337 L340 R342 L343 D344	L288-L312 HydrophobicContact CB-CD1 4.19Å; L288-L312 HydrophobicContact CD2-CD1 4.4Å; L288-L312 HydrophobicContact CG-CD1 4.37Å; L288-L312 WeakPolarHBondContact O-CA 3.48Å; L288-L312 WeakPolarHBondContact O-CD1 3.45Å; L290-L312 HydrophobicContact CD1-CD1 4.5Å; L309-L312 HydrophobicContact CD1-CD1 4.16Å; L312-L314 HydrophobicContact CD1-CD2 4.05Å; L312-L314 HydrophobicContact CD1-CG 4.37Å; L312-L314 HydrophobicContact CD2-CD1 3.88Å; L312-L314 HydrophobicContact CD2-CD2 4.26Å; L312-L314 HydrophobicContact CD2-CG 4.12Å; L312-L314 HydrophobicContact CG-CD1 4.2Å; L312-L314 HydrophobicContact CG-CD2 4.12Å; L312-L314 HydrophobicContact CG-CG 3.92Å; L312-I333 HydrophobicContact CD2-CG2 4.06Å; L312-F337 HydrophobicContact CD2-CD2 3.91Å; L312-F337 HydrophobicContact CD2-CE2 3.8Å; L312-F337 HydrophobicContact CD2-CZ 4.41Å; L312-L340 HydrophobicContact CB-CD1 3.61Å; L312-L340 HydrophobicContact CB-CD2 4.07Å; L312-R342 PolarHBondContact N-O 3.3Å; L312-R342 VanDerWaalsContact N-O 3.12Å; L312-L343 HydrophobicContact CB-CD1 4.34Å; L312-L343 HydrophobicContact CG-CD1 4.43Å; L312-L343 WeakPolarHBondContact O-CA 3.46Å; L312-L343 WeakPolarHBondContact O-CD1 3.36Å; L312-D344 PolarHBondContact O-N 2.92Å
313	W	97.4	Very high	90.2	Very high	72 Å²	72	55.5 Å²	55.5	27%	0.273	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.1	175.3	-59.4	71.7	0	0	0	110.3	L288 N289 L290 S291 E311 D344 G345	L288-W313 PolarHBondContact O-N 3.09Å; N289-W313 HydrophobicContact CB-CB 4Å; N289-W313 HydrophobicContact CB-CG 4.17Å; N289-W313 VanDerWaalsContact CG-CB 3.5Å; N289-W313 VanDerWaalsContact OD1-CB 3.29Å; N289-W313 WeakPolarHBondContact OD1-CB 3.4Å; L290-W313 CarbonylContact C-O 3.57Å; L290-W313 WeakPolarHBondContact CA-O 3.29Å; L290-W313 PolarHBondContact N-O 3.45Å; S291-W313 PolarHBondContact N-O 2.92Å; E311-W313 WeakPolarHBondContact OE1-CZ2 3.5Å; E311-W313 PolarHBondContact OE1-NE1 2.77Å; W313-D344 WeakPolarHBondContact CA-OD1 3.33Å; W313-G345 VanDerWaalsContact CH2-CA 3.49Å
314	L	96.1	Very high	89.5	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.315	C	S	.	.			trans	-133.4	-9.6	-175.3	-60.5	171.7	0	0	0	112.7	L290 L301 L312 N317 F319 C320 Y329 I333 L343 D344	L290-L314 HydrophobicContact CB-CD2 4.17Å; L290-L314 HydrophobicContact CD1-CD2 4.27Å; L301-L314 HydrophobicContact CD1-CD1 3.75Å; L301-L314 HydrophobicContact CD1-CD2 4.2Å; L301-L314 HydrophobicContact CD2-CD2 3.68Å; L312-L314 HydrophobicContact CD1-CD2 4.05Å; L312-L314 HydrophobicContact CD1-CG 4.37Å; L312-L314 HydrophobicContact CD2-CD1 3.88Å; L312-L314 HydrophobicContact CD2-CD2 4.26Å; L312-L314 HydrophobicContact CD2-CG 4.12Å; L312-L314 HydrophobicContact CG-CD1 4.2Å; L312-L314 HydrophobicContact CG-CD2 4.12Å; L312-L314 HydrophobicContact CG-CG 3.92Å; L314-N317 WeakPolarHBondContact O-CB 3.41Å; L314-N317 PolarHBondContact O-N 3.29Å; L314-N317 PolarHBondContact O-ND2 3.32Å; L314-F319 HydrophobicContact CB-CZ 3.99Å; L314-F319 HydrophobicContact CD1-CZ 4.06Å; L314-F319 HydrophobicContact CD2-CZ 4.18Å; L314-F319 HydrophobicContact CG-CZ 4.29Å; L314-C320 PolarHBondContact O-SG 2.85Å; L314-C320 VanDerWaalsContact O-SG 3.39Å; L314-Y329 WeakPolarHBondContact CB-OH 3.4Å; L314-Y329 HydrophobicContact CD1-CE2 4.42Å; L314-I333 HydrophobicContact CD1-CD1 3.62Å; L314-I333 HydrophobicContact CD1-CG1 4Å; L314-I333 HydrophobicContact CD1-CG2 4.23Å; L314-L343 HydrophobicContact CD1-CD1 4.13Å; L314-L343 HydrophobicContact CG-CD1 4.49Å; L314-D344 PolarHBondContact N-OD1 3.07Å
315	E	93.8	Very high	88.9	Confident	111 Å²	111	65.2 Å²	65.2	52%	0.519	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.3	140.2	-179.1	-162.7	-160.8	160.9	0	0	112.8	S291 R292 N317 D344	S291-E315 CarbonylContact C-O 3.49Å; S291-E315 VanDerWaalsContact CA-O 3.26Å; S291-E315 WeakPolarHBondContact CA-O 3.36Å; S291-E315 VanDerWaalsContact CB-O 3.31Å; S291-E315 WeakPolarHBondContact CB-O 3.49Å; R292-E315 PolarHBondContact N-O 2.82Å; E315-N317 VanDerWaalsContact C-N 3.3Å; E315-N317 PolarHBondContact O-N 3.15Å; E315-D344 PolarHBondContact N-OD1 2.8Å
316	G	89.8	Confident	88.4	Confident	45 Å²	45	64.4 Å²	64.4	46%	0.464	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	7.2	176.1	0	0	0	0	0	114.8
317	N	94.9	Very high	87.8	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.011	34%	0.336	C	S	.	.			trans	-82.1	143.1	165.9	-78.6	-78.2	0	0	0	111.4	L290 N293 K294 L295 L314 E315 F319 C320	L290-N317 PolarHBondContact O-ND2 3.42Å; N293-N317 WeakPolarHBondContact CA-OD1 3.41Å; N293-N317 WeakPolarHBondContact CB-OD1 3.28Å; N293-N317 PolarHBondContact N-OD1 3.33Å; N293-N317 PolarHBondContact O-OD1 2.95Å; K294-N317 PolarHBondContact N-OD1 2.99Å; L295-N317 HydrophobicContact CB-CB 4.26Å; L295-N317 WeakPolarHBondContact CB-OD1 3.33Å; L295-N317 WeakPolarHBondContact CG-OD1 3.4Å; L295-N317 PolarHBondContact N-OD1 2.87Å; L314-N317 WeakPolarHBondContact O-CB 3.41Å; L314-N317 PolarHBondContact O-N 3.29Å; L314-N317 PolarHBondContact O-ND2 3.32Å; E315-N317 VanDerWaalsContact C-N 3.3Å; E315-N317 PolarHBondContact O-N 3.15Å; N317-F319 HydrophobicContact CB-CD1 3.66Å; N317-F319 HydrophobicContact CB-CE1 3.45Å; N317-F319 VanDerWaalsContact CB-CE1 3.45Å; N317-F319 HydrophobicContact CB-CZ 4.25Å; N317-F319 PolarHBondContact O-N 3.5Å; N317-F319 VanDerWaalsContact O-N 3.15Å; N317-C320 VanDerWaalsContact O-CB 3.31Å; N317-C320 WeakPolarHBondContact O-CB 3.47Å; N317-C320 PolarHBondContact O-N 2.93Å
318	P	91.1	Very high	87.4	Confident	47 Å²	47	68.8 Å²	68.8	31%	0.305	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-53.3	-34	179.6	-28.4	31.5	0	0	0	115.7	L295 K296 C320 N321	L295-P318 WeakPolarHBondContact O-CD 3.42Å; K296-P318 HydrophobicContact CG-CB 4.45Å; P318-C320 PolarHBondContact O-N 2.87Å; P318-N321 PolarHBondContact O-N 3.44Å
319	F	89.8	Confident	87.1	Confident	2 Å²	2	62.6 Å²	62.6	1%	0.009	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-67.7	-21.6	179.5	76.5	-100.2	0	0	0	113.4	L295 F298 L301 L314 N317 N321 C322 F323 Y329	L295-F319 HydrophobicContact CB-CD1 3.65Å; L295-F319 HydrophobicContact CB-CE1 3.81Å; L295-F319 HydrophobicContact CD1-CE1 4.13Å; L295-F319 WeakPolarHBondContact O-CD1 3.22Å; L295-F319 PolarHBondContact O-N 2.79Å; L295-F319 VanDerWaalsContact O-N 3.09Å; F298-F319 HydrophobicContact CB-CD2 3.96Å; F298-F319 HydrophobicContact CB-CE2 4.34Å; F298-F319 HydrophobicContact CB-CG 4.44Å; L301-F319 HydrophobicContact CD1-CZ 4.25Å; L314-F319 HydrophobicContact CB-CZ 3.99Å; L314-F319 HydrophobicContact CD1-CZ 4.06Å; L314-F319 HydrophobicContact CD2-CZ 4.18Å; L314-F319 HydrophobicContact CG-CZ 4.29Å; N317-F319 HydrophobicContact CB-CD1 3.66Å; N317-F319 HydrophobicContact CB-CE1 3.45Å; N317-F319 VanDerWaalsContact CB-CE1 3.45Å; N317-F319 HydrophobicContact CB-CZ 4.25Å; N317-F319 PolarHBondContact O-N 3.5Å; N317-F319 VanDerWaalsContact O-N 3.15Å; F319-N321 PolarHBondContact O-N 3.33Å; F319-C322 WeakPolarHBondContact O-CB 3.34Å; F319-C322 PolarHBondContact O-N 2.96Å; F319-F323 AromaticContact CD2-CE2 3.96Å; F319-F323 HydrophobicContact CD2-CE2 3.96Å; F319-F323 HydrophobicContact CE2-CE2 4.28Å; F319-Y329 HydrophobicContact CE2-CE2 4.4Å
320	C	86.3	Confident	86.7	Confident	28 Å²	28	64.3 Å²	64.3	19%	0.189	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-61.6	-29.7	177.1	-61.4	0	0	0	0	111.3	L314 N317 P318 C322 F323	L314-C320 PolarHBondContact O-SG 2.85Å; L314-C320 VanDerWaalsContact O-SG 3.39Å; N317-C320 VanDerWaalsContact O-CB 3.31Å; N317-C320 WeakPolarHBondContact O-CB 3.47Å; N317-C320 PolarHBondContact O-N 2.93Å; P318-C320 PolarHBondContact O-N 2.87Å; C320-C322 PolarHBondContact O-N 2.9Å; C320-F323 PolarHBondContact O-N 3.47Å
321	N	83.3	Confident	86.1	Confident	145 Å²	145	63 Å²	63	78%	0.775	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-71.7	-8.3	176.8	-59.8	-24.1	0	0	0	113.4	P318 F319 F323	P318-N321 PolarHBondContact O-N 3.44Å; F319-N321 PolarHBondContact O-N 3.33Å; N321-F323 VanDerWaalsContact C-N 3.31Å
322	C	78.8	Confident	85.6	Confident	99 Å²	99	63 Å²	63	67%	0.669	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-81	-12.5	177.1	-60.2	0	0	0	0	112.7	F319 C320	F319-C322 WeakPolarHBondContact O-CB 3.34Å; F319-C322 PolarHBondContact O-N 2.96Å; C320-C322 PolarHBondContact O-N 2.9Å
323	F	77.5	Confident	85.2	Confident	33 Å²	33	63 Å²	63	15%	0.145	34%	0.338	C	S	.	.			trans	-94.1	132.6	177.6	-60.3	-78.7	0	0	0	110.2	F319 C320 N321 E328 Y329 T332	F319-F323 AromaticContact CD2-CE2 3.96Å; F319-F323 HydrophobicContact CD2-CE2 3.96Å; F319-F323 HydrophobicContact CE2-CE2 4.28Å; C320-F323 PolarHBondContact O-N 3.47Å; N321-F323 VanDerWaalsContact C-N 3.31Å; F323-E328 HydrophobicContact CD1-CB 4.46Å; F323-E328 HydrophobicContact CD1-CG 4.04Å; F323-Y329 AromaticContact CD2-CD2 3.63Å; F323-Y329 HydrophobicContact CD2-CD2 3.63Å; F323-Y329 HydrophobicContact CD2-CG 4.26Å; F323-Y329 AromaticContact CE2-CD2 3.6Å; F323-Y329 HydrophobicContact CE2-CD2 3.6Å; F323-Y329 HydrophobicContact CE2-CE2 4.3Å; F323-Y329 HydrophobicContact CG-CD2 4.23Å; F323-Y329 HydrophobicContact CG-CG 4.49Å; F323-Y329 HydrophobicContact CZ-CD2 4.19Å; F323-T332 HydrophobicContact CE1-CG2 4.16Å; F323-T332 HydrophobicContact CZ-CG2 4.22Å
324	L	72.6	Confident	84.7	Confident	174 Å²	174	61.5 Å²	61.5	91%	0.911	33%	0.334	S	S	*	.	S	Bend	trans	-86.1	-29.9	178.1	-68.7	170.7	0	0	0	112
325	D	76.8	Confident	84.2	Confident	97 Å²	97	67.1 Å²	67.1	52%	0.519	36%	0.364	S	S	.	.	S	Bend	trans	-126.8	144	-179.6	-172.1	14.4	0	0	0	111.2	F327 E328 Y329	D325-F327 PolarHBondContact O-N 3.44Å; D325-F327 PolarHBondContact OD1-N 3.29Å; D325-F327 WeakPolarHBondContact OD2-CB 3.39Å; D325-E328 PolarHBondContact O-N 3.12Å; D325-Y329 PolarHBondContact O-N 3.42Å
326	H	77.1	Confident	84	Confident	90 Å²	90	63.6 Å²	63.6	42%	0.417	35%	0.348	S	S	.	.	H	α-helix	trans	-62.2	-32.1	175.6	-170.2	56.7	0	0	0	111.6	Y329 I330 E346	H326-Y329 AromaticContact ND1-CD1 3.9Å; H326-Y329 WeakPolarHBondContact O-CB 3.16Å; H326-Y329 PolarHBondContact O-N 2.9Å; H326-I330 WeakPolarHBondContact NE2-CD1 3.38Å; H326-I330 WeakPolarHBondContact O-CG1 3.31Å; H326-I330 PolarHBondContact O-N 3.1Å; H326-E346 IonicContact CD2-OE2 3.13Å; H326-E346 IonicContact CE1-OE2 2.74Å; H326-E346 IonicContact NE2-OE2 2.68Å; H326-E346 PolarHBondContact NE2-OE2 2.82Å
327	F	76.2	Confident	84	Confident	150 Å²	150	61.7 Å²	61.7	66%	0.658	33%	0.327	S	S	*	.	H	α-helix	trans	-66.8	-43	176.9	-173.9	-93.8	0	0	0	112.7	D325 Y329 I330 S331	D325-F327 PolarHBondContact O-N 3.44Å; D325-F327 PolarHBondContact OD1-N 3.29Å; D325-F327 WeakPolarHBondContact OD2-CB 3.39Å; F327-Y329 VanDerWaalsContact C-N 3.3Å; F327-Y329 PolarHBondContact O-N 2.96Å; F327-I330 PolarHBondContact O-N 2.87Å; F327-S331 WeakPolarHBondContact O-CB 3.26Å; F327-S331 PolarHBondContact O-N 2.9Å
328	E	80	Confident	83.6	Confident	94 Å²	94	66 Å²	66	44%	0.439	36%	0.355	S	S	.	.	H	α-helix	trans	-61.9	-41.5	176.2	-173.4	-175.2	-171.5	0	0	110.9	F323 D325 T332	F323-E328 HydrophobicContact CD1-CB 4.46Å; F323-E328 HydrophobicContact CD1-CG 4.04Å; D325-E328 PolarHBondContact O-N 3.12Å; E328-T332 VanDerWaalsContact O-CB 3.32Å; E328-T332 WeakPolarHBondContact O-CB 3.2Å; E328-T332 PolarHBondContact O-N 3.39Å; E328-T332 PolarHBondContact O-OG1 2.77Å
329	Y	84.9	Confident	83.4	Confident	15 Å²	15	70 Å²	70	6%	0.059	37%	0.368	C	S	.	.	H	α-helix	trans	-59.4	-54.2	174.2	171.3	-120.4	0	0	0	111.8	L314 F319 F323 D325 H326 F327 S331 T332 I333 L343 D344	L314-Y329 WeakPolarHBondContact CB-OH 3.4Å; L314-Y329 HydrophobicContact CD1-CE2 4.42Å; F319-Y329 HydrophobicContact CE2-CE2 4.4Å; F323-Y329 AromaticContact CD2-CD2 3.63Å; F323-Y329 HydrophobicContact CD2-CD2 3.63Å; F323-Y329 HydrophobicContact CD2-CG 4.26Å; F323-Y329 AromaticContact CE2-CD2 3.6Å; F323-Y329 HydrophobicContact CE2-CD2 3.6Å; F323-Y329 HydrophobicContact CE2-CE2 4.3Å; F323-Y329 HydrophobicContact CG-CD2 4.23Å; F323-Y329 HydrophobicContact CG-CG 4.49Å; F323-Y329 HydrophobicContact CZ-CD2 4.19Å; D325-Y329 PolarHBondContact O-N 3.42Å; H326-Y329 AromaticContact ND1-CD1 3.9Å; H326-Y329 WeakPolarHBondContact O-CB 3.16Å; H326-Y329 PolarHBondContact O-N 2.9Å; F327-Y329 VanDerWaalsContact C-N 3.3Å; F327-Y329 PolarHBondContact O-N 2.96Å; Y329-S331 PolarHBondContact O-N 2.84Å; Y329-T332 PolarHBondContact O-N 2.77Å; Y329-I333 HydrophobicContact CD2-CG1 3.98Å; Y329-I333 HydrophobicContact CE2-CD1 4.26Å; Y329-I333 HydrophobicContact CE2-CG1 3.71Å; Y329-I333 VanDerWaalsContact O-CG1 3.3Å; Y329-I333 WeakPolarHBondContact O-CG1 3.22Å; Y329-I333 PolarHBondContact O-N 2.68Å; Y329-I333 VanDerWaalsContact O-N 3.09Å; Y329-L343 HydrophobicContact CD1-CD2 4.2Å; Y329-L343 HydrophobicContact CE1-CD2 3.67Å; Y329-L343 HydrophobicContact CE1-CG 4.14Å; Y329-D344 VanDerWaalsContact CE1-OD2 3.27Å; Y329-D344 WeakPolarHBondContact CE1-OD2 3.2Å; Y329-D344 PolarHBondContact OH-OD2 3.31Å
330	I	85.6	Confident	83.5	Confident	38 Å²	38	70 Å²	70	20%	0.195	37%	0.368	C	S	.	.	H	α-helix	trans	-59.1	-46.7	178.3	-69	167	0	0	0	111	H326 F327 T332 I333 H334 L343 I348	H326-I330 WeakPolarHBondContact NE2-CD1 3.38Å; H326-I330 WeakPolarHBondContact O-CG1 3.31Å; H326-I330 PolarHBondContact O-N 3.1Å; F327-I330 PolarHBondContact O-N 2.87Å; I330-T332 PolarHBondContact O-N 2.86Å; I330-I333 PolarHBondContact O-N 3.32Å; I330-H334 WeakPolarHBondContact O-CB 2.98Å; I330-H334 PolarHBondContact O-N 2.96Å; I330-L343 HydrophobicContact CG1-CD2 4.16Å; I330-I348 HydrophobicContact CG2-CG2 4.02Å
331	S	82.4	Confident	83.8	Confident	47 Å²	47	73.7 Å²	73.7	33%	0.329	39%	0.385	S	S	.	.	H	α-helix	trans	-61.5	-46.3	-178.1	-168.2	0	0	0	0	111.5	F327 Y329 I333 H334 D335	F327-S331 WeakPolarHBondContact O-CB 3.26Å; F327-S331 PolarHBondContact O-N 2.9Å; Y329-S331 PolarHBondContact O-N 2.84Å; S331-I333 VanDerWaalsContact C-N 3.35Å; S331-I333 PolarHBondContact O-N 3.32Å; S331-H334 PolarHBondContact O-N 2.72Å; S331-D335 VanDerWaalsContact O-CG 3.25Å; S331-D335 PolarHBondContact O-N 2.66Å
332	T	85.7	Confident	84.2	Confident	34 Å²	34	71.6 Å²	71.6	21%	0.209	37%	0.367	C	S	.	.	H	α-helix	trans	-62.7	-41.4	-179.7	-56.8	0	0	0	0	111.7	F298 F323 E328 Y329 I330 L336	F298-T332 HydrophobicContact CD2-CG2 4.17Å; F298-T332 HydrophobicContact CE2-CG2 4.23Å; F323-T332 HydrophobicContact CE1-CG2 4.16Å; F323-T332 HydrophobicContact CZ-CG2 4.22Å; E328-T332 VanDerWaalsContact O-CB 3.32Å; E328-T332 WeakPolarHBondContact O-CB 3.2Å; E328-T332 PolarHBondContact O-N 3.39Å; E328-T332 PolarHBondContact O-OG1 2.77Å; Y329-T332 PolarHBondContact O-N 2.77Å; I330-T332 PolarHBondContact O-N 2.86Å; T332-L336 PolarHBondContact O-N 3.37Å
333	I	89	Confident	85	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-72	-39.5	178.3	-61.3	-56.5	0	0	0	111.2	L301 L312 L314 Y329 I330 S331 D335 L336 F337 L340 L343	L301-I333 HydrophobicContact CD1-CD1 3.55Å; L312-I333 HydrophobicContact CD2-CG2 4.06Å; L314-I333 HydrophobicContact CD1-CD1 3.62Å; L314-I333 HydrophobicContact CD1-CG1 4Å; L314-I333 HydrophobicContact CD1-CG2 4.23Å; Y329-I333 HydrophobicContact CD2-CG1 3.98Å; Y329-I333 HydrophobicContact CE2-CD1 4.26Å; Y329-I333 HydrophobicContact CE2-CG1 3.71Å; Y329-I333 VanDerWaalsContact O-CG1 3.3Å; Y329-I333 WeakPolarHBondContact O-CG1 3.22Å; Y329-I333 PolarHBondContact O-N 2.68Å; Y329-I333 VanDerWaalsContact O-N 3.09Å; I330-I333 PolarHBondContact O-N 3.32Å; S331-I333 VanDerWaalsContact C-N 3.35Å; S331-I333 PolarHBondContact O-N 3.32Å; I333-D335 VanDerWaalsContact C-N 3.32Å; I333-D335 PolarHBondContact O-N 3.15Å; I333-L336 PolarHBondContact O-N 3.43Å; I333-F337 HydrophobicContact CG2-CD2 4.22Å; I333-F337 PolarHBondContact O-N 2.79Å; I333-L340 HydrophobicContact CG2-CD2 3.93Å; I333-L343 HydrophobicContact CB-CD2 3.96Å; I333-L343 HydrophobicContact CG1-CD2 4.2Å; I333-L343 HydrophobicContact CG2-CD1 3.91Å; I333-L343 HydrophobicContact CG2-CD2 3.98Å
334	H	86.7	Confident	85.7	Confident	40 Å²	40	67 Å²	67	19%	0.185	34%	0.337	C	S	.	.	H	α-helix	trans	-66.1	-33	177.2	-176.6	-81.6	0	0	0	112.3	I330 S331 L336 F337 P338	I330-H334 WeakPolarHBondContact O-CB 2.98Å; I330-H334 PolarHBondContact O-N 2.96Å; S331-H334 PolarHBondContact O-N 2.72Å; H334-L336 VanDerWaalsContact C-N 3.28Å; H334-L336 PolarHBondContact O-N 2.84Å; H334-F337 CarbonylContact O-C 3.25Å; H334-F337 PolarHBondContact O-N 3.28Å; H334-P338 VanDerWaalsContact O-CA 3.31Å; H334-P338 WeakPolarHBondContact O-CA 3.15Å; H334-P338 VanDerWaalsContact O-N 3.13Å
335	D	86.4	Confident	86.3	Confident	118 Å²	118	59.8 Å²	59.8	63%	0.631	30%	0.304	S	S	*	.	H	α-helix	trans	-63.7	-34	173.5	-73.3	-21.1	0	0	0	112.2	S331 I333	S331-D335 VanDerWaalsContact O-CG 3.25Å; S331-D335 PolarHBondContact O-N 2.66Å; I333-D335 VanDerWaalsContact C-N 3.32Å; I333-D335 PolarHBondContact O-N 3.15Å
336	L	88.3	Confident	86.7	Confident	37 Å²	37	60.3 Å²	60.3	19%	0.194	30%	0.304	C	S	.	.	H	α-helix	trans	-77.4	-35.9	174.2	-69.1	174.1	0	0	0	112.7	F298 L301 E302 T332 I333 H334	F298-L336 HydrophobicContact CD2-CD1 4.29Å; L301-L336 HydrophobicContact CB-CD1 4.16Å; E302-L336 HydrophobicContact CG-CD2 4.17Å; T332-L336 PolarHBondContact O-N 3.37Å; I333-L336 PolarHBondContact O-N 3.43Å; H334-L336 VanDerWaalsContact C-N 3.28Å; H334-L336 PolarHBondContact O-N 2.84Å
337	F	91.2	Very high	87.1	Confident	5 Å²	5	62.8 Å²	62.8	2%	0.022	32%	0.316	C	S	.	.			trans	-125.6	77.6	-179.2	-56.7	-83.9	0	0	0	111.6	L301 V304 L309 L312 I333 H334 K339 L340	L301-F337 HydrophobicContact CB-CE2 4.2Å; L301-F337 HydrophobicContact CB-CZ 4.39Å; V304-F337 HydrophobicContact CG2-CZ 4.12Å; L309-F337 HydrophobicContact CB-CD1 4.43Å; L309-F337 HydrophobicContact CD1-CD1 4.06Å; L309-F337 HydrophobicContact CD1-CE1 3.8Å; L309-F337 HydrophobicContact CD1-CZ 4.41Å; L309-F337 HydrophobicContact CG-CD1 4.44Å; L309-F337 HydrophobicContact CG-CE1 4.48Å; L312-F337 HydrophobicContact CD2-CD2 3.91Å; L312-F337 HydrophobicContact CD2-CE2 3.8Å; L312-F337 HydrophobicContact CD2-CZ 4.41Å; I333-F337 HydrophobicContact CG2-CD2 4.22Å; I333-F337 PolarHBondContact O-N 2.79Å; H334-F337 CarbonylContact O-C 3.25Å; H334-F337 PolarHBondContact O-N 3.28Å; F337-K339 PolarHBondContact O-N 2.68Å; F337-L340 HydrophobicContact CB-CB 3.98Å; F337-L340 HydrophobicContact CB-CD2 4.49Å; F337-L340 WeakPolarHBondContact O-CB 3.33Å; F337-L340 PolarHBondContact O-N 2.91Å
338	P	86.3	Confident	87.4	Confident	93 Å²	93	57 Å²	57	60%	0.604	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-9	-174	-23.3	34.2	0	0	0	115.5	H334	H334-P338 VanDerWaalsContact O-CA 3.31Å; H334-P338 WeakPolarHBondContact O-CA 3.15Å; H334-P338 VanDerWaalsContact O-N 3.13Å
339	K	87.6	Confident	86.7	Confident	130 Å²	130	59.4 Å²	59.4	57%	0.565	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-0.9	177.4	-65.6	-173.4	177.6	-175.8	0	112.9	K308 L309 F337 L341	K308-K339 HydrophobicContact CB-CD 4.5Å; L309-K339 CarbonylContact O-C 3.51Å; F337-K339 PolarHBondContact O-N 2.68Å; K339-L341 PolarHBondContact O-N 2.8Å
340	L	91.8	Very high	85	Confident	4 Å²	4	62.4 Å²	62.4	2%	0.021	33%	0.325	C	S	.	.			trans	-67.6	127.1	-177.8	-163.6	70.8	0	0	0	109.8	L309 L312 I333 F337 R342 L343 I348	L309-L340 HydrophobicContact CB-CD1 4.2Å; L309-L340 PolarHBondContact O-N 3.41Å; L312-L340 HydrophobicContact CB-CD1 3.61Å; L312-L340 HydrophobicContact CB-CD2 4.07Å; I333-L340 HydrophobicContact CG2-CD2 3.93Å; F337-L340 HydrophobicContact CB-CB 3.98Å; F337-L340 HydrophobicContact CB-CD2 4.49Å; F337-L340 WeakPolarHBondContact O-CB 3.33Å; F337-L340 PolarHBondContact O-N 2.91Å; L340-R342 WeakPolarHBondContact CG-O 3.13Å; L340-L343 HydrophobicContact CD2-CB 4.16Å; L340-L343 HydrophobicContact CD2-CD1 4.24Å; L340-I348 HydrophobicContact CB-CD1 4.07Å; L340-I348 HydrophobicContact CD2-CD1 3.73Å; L340-I348 HydrophobicContact CG-CD1 3.85Å
341	L	91.3	Very high	82.6	Confident	105 Å²	105	65.8 Å²	65.8	55%	0.55	35%	0.35	S	S	.	.			trans	-100.2	-31.5	178.4	-58.4	178.4	0	0	0	111.1	E310 K339 I348	E310-L341 HydrophobicContact CB-CD1 4.44Å; E310-L341 WeakPolarHBondContact O-CA 3.17Å; E310-L341 WeakPolarHBondContact O-CB 3.45Å; E310-L341 PolarHBondContact O-N 3.4Å; K339-L341 PolarHBondContact O-N 2.8Å; L341-I348 PolarHBondContact O-N 3.28Å
342	R	92.5	Very high	80.2	Confident	100 Å²	100	72.6 Å²	72.6	38%	0.377	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	135.9	-177.4	-57.8	-177.9	80.4	162.4	4	111.8	E310 E311 L312 L340 G345 E346 E347	E310-R342 PolarHBondContact O-N 3.09Å; E310-R342 VanDerWaalsContact O-N 3.08Å; E311-R342 WeakPolarHBondContact CA-O 3.34Å; E311-R342 HydrophobicContact CB-CB 4.18Å; E311-R342 HydrophobicContact CG-CB 3.87Å; L312-R342 PolarHBondContact N-O 3.3Å; L312-R342 VanDerWaalsContact N-O 3.12Å; L340-R342 WeakPolarHBondContact CG-O 3.13Å; R342-G345 PolarHBondContact NH2-O 2.97Å; R342-G345 VanDerWaalsContact NH2-O 3.1Å; R342-E346 CarbonylContact C-O 3.46Å; R342-E346 WeakPolarHBondContact CA-O 3.47Å; R342-E347 HydrophobicContact CG-CG 4.27Å
343	L	94.4	Very high	77.5	Confident	6 Å²	6	81.9 Å²	81.9	3%	0.031	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	125.5	175	180	61.6	0	0	0	109	L312 L314 Y329 I330 I333 L340 G345 E346 I348	L312-L343 HydrophobicContact CB-CD1 4.34Å; L312-L343 HydrophobicContact CG-CD1 4.43Å; L312-L343 WeakPolarHBondContact O-CA 3.46Å; L312-L343 WeakPolarHBondContact O-CD1 3.36Å; L314-L343 HydrophobicContact CD1-CD1 4.13Å; L314-L343 HydrophobicContact CG-CD1 4.49Å; Y329-L343 HydrophobicContact CD1-CD2 4.2Å; Y329-L343 HydrophobicContact CE1-CD2 3.67Å; Y329-L343 HydrophobicContact CE1-CG 4.14Å; I330-L343 HydrophobicContact CG1-CD2 4.16Å; I333-L343 HydrophobicContact CB-CD2 3.96Å; I333-L343 HydrophobicContact CG1-CD2 4.2Å; I333-L343 HydrophobicContact CG2-CD1 3.91Å; I333-L343 HydrophobicContact CG2-CD2 3.98Å; L340-L343 HydrophobicContact CD2-CB 4.16Å; L340-L343 HydrophobicContact CD2-CD1 4.24Å; L343-G345 PolarHBondContact O-N 3.42Å; L343-G345 VanDerWaalsContact O-N 3.13Å; L343-E346 PolarHBondContact N-O 2.94Å; L343-E346 PolarHBondContact O-N 3.42Å; L343-I348 HydrophobicContact CB-CD1 3.98Å; L343-I348 HydrophobicContact CB-CG1 4.19Å
344	D	92.1	Very high	74.5	Confident	30 Å²	30	88.9 Å²	88.9	16%	0.16	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	35.4	-179	-61.1	-48.3	0	0	0	113.5	L312 W313 L314 E315 Y329 E346	L312-D344 PolarHBondContact O-N 2.92Å; W313-D344 WeakPolarHBondContact CA-OD1 3.33Å; L314-D344 PolarHBondContact N-OD1 3.07Å; E315-D344 PolarHBondContact N-OD1 2.8Å; Y329-D344 VanDerWaalsContact CE1-OD2 3.27Å; Y329-D344 WeakPolarHBondContact CE1-OD2 3.2Å; Y329-D344 PolarHBondContact OH-OD2 3.31Å; D344-E346 VanDerWaalsContact C-N 3.27Å; D344-E346 PolarHBondContact O-N 2.94Å
345	G	86.2	Confident	71.9	Confident	22 Å²	22	94.5 Å²	94.5	23%	0.227	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	-11.5	-178.4	0	0	0	0	0	115.3	W313 R342 L343	W313-G345 VanDerWaalsContact CH2-CA 3.49Å; R342-G345 PolarHBondContact NH2-O 2.97Å; R342-G345 VanDerWaalsContact NH2-O 3.1Å; L343-G345 PolarHBondContact O-N 3.42Å; L343-G345 VanDerWaalsContact O-N 3.13Å
346	E	84.9	Confident	69.3	Low	108 Å²	108	97.1 Å²	97.1	51%	0.505	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	138.2	177.4	-59.7	-164	156.4	0	0	111.9	H326 R342 L343 D344	H326-E346 IonicContact CD2-OE2 3.13Å; H326-E346 IonicContact CE1-OE2 2.74Å; H326-E346 IonicContact NE2-OE2 2.68Å; H326-E346 PolarHBondContact NE2-OE2 2.82Å; R342-E346 CarbonylContact C-O 3.46Å; R342-E346 WeakPolarHBondContact CA-O 3.47Å; L343-E346 PolarHBondContact N-O 2.94Å; L343-E346 PolarHBondContact O-N 3.42Å; D344-E346 VanDerWaalsContact C-N 3.27Å; D344-E346 PolarHBondContact O-N 2.94Å
347	E	85.9	Confident	66.5	Low	143 Å²	143	102.5 Å²	102.5	67%	0.668	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	126.8	173.5	-73.6	-177.3	178.6	0	0	110.9	R342 I349	R342-E347 HydrophobicContact CG-CG 4.27Å; E347-I349 PolarHBondContact O-N 2.84Å; E347-I349 VanDerWaalsContact O-N 3.1Å
348	I	82.5	Confident	63.9	Low	28 Å²	28	106.5 Å²	106.5	14%	0.144	55%	0.553	C	S	.	*			trans	-78.6	98.4	175.2	-53.3	177.4	0	0	0	107.8	I330 L340 L341 L343 V350	I330-I348 HydrophobicContact CG2-CG2 4.02Å; L340-I348 HydrophobicContact CB-CD1 4.07Å; L340-I348 HydrophobicContact CD2-CD1 3.73Å; L340-I348 HydrophobicContact CG-CD1 3.85Å; L341-I348 PolarHBondContact O-N 3.28Å; L343-I348 HydrophobicContact CB-CD1 3.98Å; L343-I348 HydrophobicContact CB-CG1 4.19Å; I348-V350 VanDerWaalsContact C-N 3.3Å; I348-V350 HydrophobicContact CG2-CG2 3.83Å; I348-V350 PolarHBondContact O-N 2.65Å
349	I	64.6	Low	61.3	Low	145 Å²	145	111.5 Å²	111.5	74%	0.744	57%	0.565	S	S	*	*			trans	-78.9	84.6	173.4	-53.6	175.5	0	0	0	108.1	E347 P351	E347-I349 PolarHBondContact O-N 2.84Å; E347-I349 VanDerWaalsContact O-N 3.1Å; I349-P351 WeakPolarHBondContact O-CD 3.26Å
350	V	49	Very low	58.5	Low	77 Å²	77	108.8 Å²	108.8	47%	0.467	58%	0.575	S	S	.	*			trans	-72.4	120.8	165.6	-161.2	0	0	0	0	106.9	I348 K352	I348-V350 VanDerWaalsContact C-N 3.3Å; I348-V350 HydrophobicContact CG2-CG2 3.83Å; I348-V350 PolarHBondContact O-N 2.65Å; V350-K352 PolarHBondContact O-N 2.83Å
351	P	35.6	Very low	55.4	Low	110 Å²	110	116.4 Å²	116.4	71%	0.714	61%	0.614	S	S	*	*			trans	-62.8	102.7	175.4	-17.3	29.9	0	0	0	108.5	I349 R353	I349-P351 WeakPolarHBondContact O-CD 3.26Å; P351-R353 PolarHBondContact O-N 2.7Å
352	K	31.4	Very low	52.3	Low	190 Å²	190	118.9 Å²	118.9	83%	0.826	63%	0.627	S	S	*	*			trans	-59.6	107.3	164.3	-76.7	-177.6	179.1	175.2	0	106.2	V350 N354	V350-K352 PolarHBondContact O-N 2.83Å; K352-N354 PolarHBondContact O-N 3.37Å
353	R	30.7	Very low	49.3	Very low	228 Å²	228	119 Å²	119	86%	0.86	64%	0.638	S	S	*	*			trans	-64.3	89	165.5	-80	-172.9	179	116	-1.8	107.4	P351 L355	P351-R353 PolarHBondContact O-N 2.7Å; R353-L355 VanDerWaalsContact C-N 3.29Å; R353-L355 PolarHBondContact O-N 3.5Å
354	N	25.1	Very low	46.1	Very low	148 Å²	148	124.1 Å²	124.1	79%	0.791	67%	0.672	S	S	*	*			trans	-70.3	96.8	158.1	-83.1	-24.9	0	0	0	106.7	K352 Q356	K352-N354 PolarHBondContact O-N 3.37Å; N354-Q356 PolarHBondContact O-N 3.3Å
355	L	32.8	Very low	43.1	Very low	158 Å²	158	129.1 Å²	129.1	83%	0.827	70%	0.703	S	S	*	*			trans	-79.7	73.8	171.2	-155.1	89.1	0	0	0	107.7	R353	R353-L355 VanDerWaalsContact C-N 3.29Å; R353-L355 PolarHBondContact O-N 3.5Å
356	Q	31.9	Very low	40.4	Very low	172 Å²	172	139.3 Å²	139.3	80%	0.804	74%	0.735	S	S	*	*	S	Bend	trans	-167.6	124.1	159.3	-106.5	163.7	41.6	0	0	109.4	N354	N354-Q356 PolarHBondContact O-N 3.3Å
357	N	28.5	Very low	37.7	Very low	150 Å²	150	141.6 Å²	141.6	80%	0.802	75%	0.751	S	S	*	*			trans	79.6	98.3	176.1	-56	-17	0	0	0	115.8	K359	N357-K359 VanDerWaalsContact C-N 3.3Å; N357-K359 PolarHBondContact O-N 3.19Å
358	G	36.6	Very low	35	Very low	90 Å²	90	142.3 Å²	142.3	93%	0.928	76%	0.758	S	S	*	*			trans	-61.6	85	166.2	0	0	0	0	0	112.3
359	K	32.2	Very low	32.7	Very low	197 Å²	197	149.3 Å²	149.3	86%	0.857	79%	0.79	S	S	*	*			trans	-133.1	137.2	156.5	-71.7	-169.2	176.7	-177.8	0	108.4	N357	N357-K359 VanDerWaalsContact C-N 3.3Å; N357-K359 PolarHBondContact O-N 3.19Å
360	G	29	Very low	31	Very low	74 Å²	74	149.3 Å²	149.3	76%	0.763	79%	0.792	S	S	*	*			trans	-53.1	152.7	-167	0	0	0	0	0	115.1	I362	G360-I362 PolarHBondContact O-N 3.11Å
361	L	25.9	Very low	30.4	Very low	164 Å²	164	149.4 Å²	149.4	86%	0.859	81%	0.809	S	S	*	*			trans	-68.2	110.8	171.1	-158.1	81.1	0	0	0	108.5	V363	L361-V363 HydrophobicContact CD2-CG2 4.2Å; L361-V363 PolarHBondContact O-N 2.87Å
362	I	26.7	Very low	30.2	Very low	157 Å²	157	153.6 Å²	153.6	81%	0.805	82%	0.816	S	S	*	*			trans	-78	110.7	162.1	-61.5	174.6	0	0	0	106	G360 P364	G360-I362 PolarHBondContact O-N 3.11Å; I362-P364 WeakPolarHBondContact O-CD 3.27Å
363	V	30.4	Very low	30.1	Very low	103 Å²	103	152 Å²	152	62%	0.624	82%	0.816	S	S	*	*			trans	-79.3	122.5	166.1	179.6	0	0	0	0	107.2	L361 T365	L361-V363 HydrophobicContact CD2-CG2 4.2Å; L361-V363 PolarHBondContact O-N 2.87Å; V363-T365 PolarHBondContact O-N 3.05Å; V363-T365 VanDerWaalsContact O-N 3.17Å
364	P	25.7	Very low	29.8	Very low	113 Å²	113	149 Å²	149	73%	0.734	82%	0.816	S	S	*	*			trans	-69.1	111.6	165	-9.7	25.5	0	0	0	107.8	I362 R366	I362-P364 WeakPolarHBondContact O-CD 3.27Å; P364-R366 PolarHBondContact O-N 2.8Å
365	T	28.6	Very low	29.9	Very low	134 Å²	134	149 Å²	149	82%	0.822	82%	0.815	S	S	*	*			trans	-55.8	117.8	167.9	-14.6	0	0	0	0	108.2	V363 N367	V363-T365 PolarHBondContact O-N 3.05Å; V363-T365 VanDerWaalsContact O-N 3.17Å; T365-N367 PolarHBondContact O-N 2.98Å
366	R	29.7	Very low	29.6	Very low	237 Å²	237	147 Å²	147	89%	0.894	81%	0.808	S	S	*	*			trans	-65.1	119.7	167.8	-94.7	-177.4	173.9	161.1	-1.2	108.3	P364 L368	P364-R366 PolarHBondContact O-N 2.8Å; R366-L368 PolarHBondContact O-N 2.6Å; R366-L368 VanDerWaalsContact O-N 3.14Å
367	N	28.8	Very low	29.3	Very low	156 Å²	156	144.4 Å²	144.4	83%	0.834	81%	0.807	S	S	*	*			trans	-52.7	110.1	157.6	-83.9	-39	0	0	0	109	T365 Q369	T365-N367 PolarHBondContact O-N 2.98Å; N367-Q369 PolarHBondContact O-N 2.94Å
368	L	29.7	Very low	29.4	Very low	157 Å²	157	144.1 Å²	144.1	82%	0.822	81%	0.811	S	S	*	*			trans	-90.5	91.6	160.7	-135.8	82.6	0	0	0	107.3	R366 N370	R366-L368 PolarHBondContact O-N 2.6Å; R366-L368 VanDerWaalsContact O-N 3.14Å; L368-N370 VanDerWaalsContact C-N 3.31Å; L368-N370 PolarHBondContact O-N 3.02Å; L368-N370 VanDerWaalsContact O-N 3.07Å
369	Q	34.2	Very low	28.9	Very low	176 Å²	176	143.5 Å²	143.5	82%	0.822	80%	0.804	S	S	*	*			trans	-68.5	97.9	156.7	-75.8	-177.6	-9.5	0	0	106.8	N367	N367-Q369 PolarHBondContact O-N 2.94Å
370	N	29.3	Very low	28.6	Very low	145 Å²	145	141.7 Å²	141.7	78%	0.775	80%	0.804	S	S	*	*	S	Bend	trans	179.3	102.2	142.1	-87.3	-21.9	0	0	0	107.9	L368 K372	L368-N370 VanDerWaalsContact C-N 3.31Å; L368-N370 PolarHBondContact O-N 3.02Å; L368-N370 VanDerWaalsContact O-N 3.07Å; N370-K372 PolarHBondContact O-N 3.34Å; N370-K372 VanDerWaalsContact O-N 3.16Å
371	G	36.4	Very low	28.7	Very low	79 Å²	79	143.7 Å²	143.7	81%	0.814	80%	0.803	S	S	*	*			trans	-58.8	115.2	-178.4	0	0	0	0	0	112.2
372	K	31.1	Very low	28.8	Very low	198 Å²	198	144.2 Å²	144.2	86%	0.861	80%	0.802	S	S	*	*			trans	-145.9	107.4	150.7	-69.2	-167.1	179.7	176.8	0	107	N370	N370-K372 PolarHBondContact O-N 3.34Å; N370-K372 VanDerWaalsContact O-N 3.16Å
373	D	28	Very low	29	Very low	156 Å²	156	144.1 Å²	144.1	83%	0.834	80%	0.803	S	S	*	*			trans	-61	131.7	177.9	-60.8	-47.6	0	0	0	110.6	I375	D373-I375 PolarHBondContact O-N 3.13Å
374	L	25.9	Very low	28.8	Very low	164 Å²	164	142.5 Å²	142.5	86%	0.859	81%	0.806	S	S	*	*			trans	-81.6	107	169.1	-139.1	94	0	0	0	108	V376	L374-V376 PolarHBondContact O-N 3.19Å
375	I	25.7	Very low	29.1	Very low	149 Å²	149	147.1 Å²	147.1	76%	0.764	82%	0.815	S	S	*	*			trans	-74.3	115.4	171.2	-61.9	172.5	0	0	0	107.8	D373	D373-I375 PolarHBondContact O-N 3.13Å
376	V	27.2	Very low	29	Very low	115 Å²	115	148.2 Å²	148.2	70%	0.697	82%	0.816	S	S	*	*			trans	-87.4	124.1	165	-179	0	0	0	0	107.8	L374 T378	L374-V376 PolarHBondContact O-N 3.19Å; V376-T378 PolarHBondContact O-N 3.21Å
377	P	26.3	Very low	28.8	Very low	119 Å²	119	143.8 Å²	143.8	77%	0.773	81%	0.809	S	S	*	*			trans	-70.7	115.9	173.4	-13.2	27.9	0	0	0	110.4
378	T	30.1	Very low	28.5	Very low	144 Å²	144	144 Å²	144	88%	0.883	81%	0.809	S	S	*	*			trans	-73.5	129.5	162.3	25.3	0	0	0	0	110.1	V376	V376-T378 PolarHBondContact O-N 3.21Å
379	G	25.1	Very low	28.4	Very low	77 Å²	77	141.3 Å²	141.3	79%	0.794	80%	0.799	S	S	*	*			trans	-142.5	117.2	167.2	0	0	0	0	0	109.1
380	N	27.3	Very low	28	Very low	159 Å²	159	138.7 Å²	138.7	85%	0.85	80%	0.797	S	S	*	*			trans	-63.4	154.9	-162.2	-99.5	-18.2	0	0	0	116.9
381	P	31.4	Very low	28.1	Very low	115 Å²	115	138.3 Å²	138.3	75%	0.747	80%	0.8	S	S	*	*			trans	-80.6	139.2	163.3	33.3	-29.2	0	0	0	111.2
382	Q	27.2	Very low	27.6	Very low	176 Å²	176	137.9 Å²	137.9	82%	0.822	80%	0.796	S	S	*	*			trans	-114.4	130.6	155.2	-81.5	-164.7	-33.3	0	0	108.9
383	D	30.3	Very low	27.5	Very low	155 Å²	155	136.2 Å²	136.2	83%	0.829	80%	0.796	S	S	*	*	S	Bend	trans	68.6	105.6	161.7	-50.1	-20.4	0	0	0	115.5
384	G	27.5	Very low	27.8	Very low	68 Å²	68	134.3 Å²	134.3	70%	0.701	79%	0.792	S	S	*	*			cis	142.8	106.4	18.1	0	0	0	0	0	106.8
385	K	30.8	Very low	28.1	Very low	211 Å²	211	135 Å²	135	92%	0.917	79%	0.791	S	S	*	*			trans	169.3	125.4	140.1	-92	163.8	-172.3	-176.6	0	109.8
386	D	26.8	Very low	28.3	Very low	156 Å²	156	135.6 Å²	135.6	83%	0.834	80%	0.796	S	S	*	*			trans	-69	157	-165.9	-62.8	-61.4	0	0	0	115.1
387	L	24.9	Very low	28.8	Very low	145 Å²	145	133.4 Å²	133.4	76%	0.759	80%	0.796	S	S	*	*			trans	-42.7	137.1	158.4	-73.9	82.9	0	0	0	112.3
388	I	23.7	Very low	28.9	Very low	160 Å²	160	137.5 Å²	137.5	82%	0.821	80%	0.802	S	S	*	*			trans	-134.6	112.1	131.8	-59	-176.1	0	0	0	108.4
389	V	27	Very low	28.7	Very low	101 Å²	101	137.6 Å²	137.6	61%	0.612	80%	0.797	S	S	*	*			trans	-78.3	134.3	160.9	174.8	0	0	0	0	107.7
390	P	25.4	Very low	28.6	Very low	120 Å²	120	141 Å²	141	78%	0.779	80%	0.796	S	S	*	*			trans	-99.7	104.2	155.1	4.3	16	0	0	0	108.8
391	T	32.4	Very low	28.4	Very low	137 Å²	137	140 Å²	140	84%	0.84	79%	0.79	S	S	*	*			trans	-63.8	123.9	153.6	29	0	0	0	0	108.8
392	G	25.3	Very low	28.3	Very low	71 Å²	71	140.3 Å²	140.3	73%	0.732	79%	0.789	S	S	*	*			trans	-168.8	96.9	169.6	0	0	0	0	0	112
393	N	28.8	Very low	28.2	Very low	163 Å²	163	137.5 Å²	137.5	87%	0.872	79%	0.786	S	S	*	*			trans	-84.9	143.3	142	-102.1	-15.6	0	0	0	105.8
394	P	35.3	Very low	28.1	Very low	116 Å²	116	136.5 Å²	136.5	75%	0.753	79%	0.786	S	S	*	*				-149.8	169.2	62.2	34.6	-12.2	0	0	0	116.6
395	Q	31.6	Very low	28	Very low	177 Å²	177	137 Å²	137	83%	0.827	79%	0.791	S	S	*	*			trans	12.9	117.4	155.2	-62.5	-176.6	-30.2	0	0	119.6
396	D	29.1	Very low	27.8	Very low	162 Å²	162	134.4 Å²	134.4	87%	0.866	79%	0.787	S	S	*	*				170.7	141.6	115.8	-94.9	-20.9	0	0	0	110.9
397	G	37.6	Very low	28.3	Very low	69 Å²	69	131.9 Å²	131.9	71%	0.711	78%	0.78	S	S	*	*			trans	-66.5	142.2	-179.3	0	0	0	0	0	113.2
398	K	29.4	Very low	28.3	Very low	206 Å²	206	133.8 Å²	133.8	90%	0.896	79%	0.785	S	S	*	*			trans	-171.9	131.6	148.7	-101.7	155.8	-169.8	-178	0	110
399	D	25.7	Very low	28.6	Very low	146 Å²	146	133.7 Å²	133.7	78%	0.781	79%	0.785	S	S	*	*			trans	-59.9	170.8	171.5	-58.3	-60.5	0	0	0	112.6
400	L	23.8	Very low	28.5	Very low	148 Å²	148	132.1 Å²	132.1	78%	0.775	79%	0.79	S	S	*	*			trans	122.9	124.2	132.9	-82.4	138.9	0	0	0	118.6
401	I	23.6	Very low	28.7	Very low	139 Å²	139	136.1 Å²	136.1	71%	0.713	80%	0.795	S	S	*	*			trans	97.4	106.2	135.8	-62.2	157	0	0	0	118.3
402	V	27.7	Very low	28.3	Very low	121 Å²	121	137.2 Å²	137.2	73%	0.733	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-64.8	140.8	148	174.8	0	0	0	0	110.2
403	P	26.5	Very low	28.3	Very low	117 Å²	117	141.3 Å²	141.3	76%	0.76	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-102.3	119.2	150.2	-2.7	22.6	0	0	0	111
404	T	27.6	Very low	28	Very low	133 Å²	133	141.2 Å²	141.2	82%	0.816	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-56.9	145.7	161.9	18.8	0	0	0	0	112.5
405	G	24.4	Very low	27.5	Very low	79 Å²	79	141.3 Å²	141.3	81%	0.814	80%	0.796	S	S	*	*			trans	-149.7	109.3	166.3	0	0	0	0	0	109.8
406	N	26.5	Very low	27.2	Very low	156 Å²	156	138.2 Å²	138.2	83%	0.834	79%	0.791	S	S	*	*			trans	-88.2	179.8	-166	-118.6	3.3	0	0	0	112.9
407	P	37.8	Very low	27.1	Very low	104 Å²	104	136.9 Å²	136.9	68%	0.675	79%	0.789	S	S	*	*			trans	-107.6	170.2	-137.4	42.4	-37.9	0	0	0	114.5
408	Q	24.6	Very low	26.8	Very low	185 Å²	185	142.2 Å²	142.2	86%	0.864	79%	0.793	S	S	*	*			trans	-137	136.8	147.2	-74.7	-167.1	-33.4	0	0	111.8
409	D	29.7	Very low	26.6	Very low	157 Å²	157	140.2 Å²	140.2	84%	0.84	79%	0.789	S	S	*	*			trans	84.7	89.5	162.1	-60.2	-9.8	0	0	0	119.2
410	G	25.7	Very low	26.7	Very low	68 Å²	68	140.4 Å²	140.4	70%	0.701	79%	0.789	S	S	*	*			trans	-63.9	141.8	174.3	0	0	0	0	0	115.2
411	K	29.3	Very low	27.3	Very low	205 Å²	205	137.8 Å²	137.8	89%	0.891	78%	0.775	S	S	*	*				-133.6	118.8	120.7	-77.9	-171.1	178.6	174.6	0	107.5	L413	K411-L413 PolarHBondContact O-N 3.3Å
412	D	24.2	Very low	28	Very low	160 Å²	160	136.2 Å²	136.2	86%	0.856	77%	0.765	S	S	*	*			trans	-61	117.2	-176.1	-61.8	-50.6	0	0	0	111.6
413	L	25	Very low	28.7	Very low	157 Å²	157	134 Å²	134	82%	0.822	75%	0.752	S	S	*	*			trans	-112.4	109	154.8	-92	158.5	0	0	0	106.4	K411 V415	K411-L413 PolarHBondContact O-N 3.3Å; L413-V415 VanDerWaalsContact C-N 3.35Å; L413-V415 PolarHBondContact O-N 3.22Å
414	I	23.9	Very low	29.7	Very low	160 Å²	160	128.5 Å²	128.5	82%	0.821	72%	0.716	S	S	*	*			trans	-61.3	99.4	168.5	-60.9	171	0	0	0	106.6
415	V	23.3	Very low	30.7	Very low	118 Å²	118	128.9 Å²	128.9	72%	0.715	71%	0.708	S	S	*	*			trans	-78.2	122	164.1	179.1	0	0	0	0	106.4	L413 T417	L413-V415 VanDerWaalsContact C-N 3.35Å; L413-V415 PolarHBondContact O-N 3.22Å; V415-T417 PolarHBondContact O-N 3.12Å
416	P	25.6	Very low	31.5	Very low	113 Å²	113	129 Å²	129	73%	0.734	70%	0.695	S	S	*	*			trans	-59.3	124.2	169.9	-19.7	31.8	0	0	0	109.5	K418	P416-K418 PolarHBondContact O-N 2.79Å
417	T	26.3	Very low	32	Very low	134 Å²	134	123.8 Å²	123.8	82%	0.822	67%	0.67	S	S	*	*			trans	-44.9	126.7	176.4	-49.6	0	0	0	0	112	V415	V415-T417 PolarHBondContact O-N 3.12Å
418	K	32.3	Very low	32.3	Very low	180 Å²	180	128.3 Å²	128.3	78%	0.783	68%	0.679	S	S	*	*			trans	19	98.4	163.8	-80.5	-175.3	171.1	-173	0	115.7	P416	P416-K418 PolarHBondContact O-N 2.79Å
419	M	24.7	Very low	33.1	Very low	165 Å²	165	128.8 Å²	128.8	81%	0.813	68%	0.681	S	S	*	*			trans	-95.1	122.5	138.7	-69.3	-164.9	-167.7	0	0	106.7	I421	M419-I421 HydrophobicContact CB-CG1 4.09Å; M419-I421 PolarHBondContact O-N 2.82Å
420	D	28.8	Very low	33.6	Very low	149 Å²	149	126.6 Å²	126.6	80%	0.797	68%	0.678	S	S	*	*			trans	-66.4	89.7	168.8	-70.1	-42.2	0	0	0	107.6
421	I	36	Very low	34.2	Very low	93 Å²	93	126 Å²	126	48%	0.477	66%	0.662	S	S	.	*			trans	-87.6	107.4	175.9	-61.1	173.3	0	0	0	107.1	M419 L530	M419-I421 HydrophobicContact CB-CG1 4.09Å; M419-I421 PolarHBondContact O-N 2.82Å; I421-L530 HydrophobicContact CG2-CD1 3.64Å
422	E	38.3	Very low	35.1	Very low	106 Å²	106	125 Å²	125	50%	0.495	67%	0.667	S	S	.	*	P	Polyproline II helix	trans	-58	145.4	174.6	-81	-177.2	167.2	0	0	112	C531 S604	E422-C531 WeakPolarHBondContact CB-SG 3.35Å; E422-C531 PolarHBondContact OE2-SG 3.36Å; E422-S604 WeakPolarHBondContact OE2-CB 3.48Å; E422-S604 PolarHBondContact OE2-OG 2.94Å
423	V	42.8	Very low	36.6	Very low	75 Å²	75	118.3 Å²	118.3	46%	0.455	63%	0.632	S	S	.	*	P	Polyproline II helix	trans	-83	137.2	-171.2	-174.6	0	0	0	0	110.4	Q425 K446	V423-Q425 PolarHBondContact O-N 3Å; V423-K446 VanDerWaalsContact CG2-NZ 3.27Å
424	P	47.3	Very low	38.8	Very low	1 Å²	1	113.8 Å²	113.8	1%	0.006	61%	0.614	C	S	.	*	P	Polyproline II helix	trans	-51.9	133.2	169.7	-26	33.5	0	0	0	111.9	P426 L442 L530 F533	P424-P426 WeakPolarHBondContact O-CD 3.16Å; P424-L442 HydrophobicContact CB-CD2 3.78Å; P424-L442 HydrophobicContact CG-CD2 4.36Å; P424-L530 WeakPolarHBondContact CA-O 3.49Å; P424-L530 HydrophobicContact CG-CB 4.29Å; P424-F533 HydrophobicContact CB-CB 3.99Å; P424-F533 HydrophobicContact CG-CD2 4.47Å
425	Q	49	Very low	41.3	Very low	141 Å²	141	111.6 Å²	111.6	66%	0.659	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-82.9	122	-179	-74.3	-171.6	-10.4	0	0	110.9	V423 C427	V423-Q425 PolarHBondContact O-N 3Å; Q425-C427 PolarHBondContact O-N 2.9Å
426	P	40.5	Very low	44.1	Very low	81 Å²	81	111.1 Å²	111.1	53%	0.526	60%	0.597	S	S	.	*	B	Isolated β-bridge	trans	-65.8	135.9	170.9	24.6	-29.8	0	0	0	110.3	P424	P424-P426 WeakPolarHBondContact O-CD 3.16Å
427	C	37.8	Very low	46.7	Very low	47 Å²	47	106.8 Å²	106.8	32%	0.318	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-56.4	145.9	169.5	-84.8	0	0	0	0	110.7	Q425 E429 D536	Q425-C427 PolarHBondContact O-N 2.9Å; C427-E429 PolarHBondContact O-N 3.38Å; C427-D536 PolarHBondContact SG-OD1 3.45Å
428	K	42.9	Very low	49.4	Very low	199 Å²	199	103.3 Å²	103.3	87%	0.865	54%	0.541	S	S	*	.	S	Bend	trans	-44	131.3	177	-69.6	178.6	176.1	-177.3	0	111.9	S430	K428-S430 PolarHBondContact O-N 2.88Å
429	E	41.2	Very low	51.9	Low	196 Å²	196	98.7 Å²	98.7	92%	0.916	53%	0.525	S	S	*	.	S	Bend	trans	-12.2	84.2	167.9	-64.6	172.5	161.9	0	0	115.7	C427	C427-E429 PolarHBondContact O-N 3.38Å
430	S	40	Very low	54.9	Low	110 Å²	110	92.7 Å²	92.7	77%	0.769	50%	0.496	S	S	*	.			trans	-125.2	-5	168.1	67.7	0	0	0	0	113.5	K428	K428-S430 PolarHBondContact O-N 2.88Å
431	C	39.7	Very low	57.8	Low	55 Å²	55	85.8 Å²	85.8	37%	0.372	46%	0.459	S	S	.	.			trans	-128.9	122.8	176.5	-154.8	0	0	0	0	109.2	T433	C431-T433 WeakPolarHBondContact CB-OG1 3.44Å; C431-T433 PolarHBondContact O-N 2.87Å; C431-T433 PolarHBondContact SG-OG1 2.68Å
432	N	48.2	Very low	60.3	Low	184 Å²	184	82.1 Å²	82.1	98%	0.984	44%	0.441	S	S	*	.			trans	-66	47.6	167.7	-75.2	-23.7	0	0	0	110.3
433	T	55.1	Low	62.6	Low	20 Å²	20	81.5 Å²	81.5	12%	0.123	44%	0.438	C	S	.	.			trans	-87.8	138.7	-178.6	-28.1	0	0	0	0	109.6	C431 E435 I437 L537	C431-T433 WeakPolarHBondContact CB-OG1 3.44Å; C431-T433 PolarHBondContact O-N 2.87Å; C431-T433 PolarHBondContact SG-OG1 2.68Å; T433-E435 PolarHBondContact O-N 2.8Å; T433-I437 HydrophobicContact CG2-CB 3.98Å; T433-I437 HydrophobicContact CG2-CD1 4.04Å; T433-I437 HydrophobicContact CG2-CG2 4.05Å; T433-L537 HydrophobicContact CG2-CD2 3.21Å
434	S	70.3	Confident	65	Low	63 Å²	63	79 Å²	79	44%	0.441	42%	0.42	S	S	.	.			trans	-50.3	130.5	168.5	179	0	0	0	0	111.1	V436 I437 K438	S434-V436 PolarHBondContact O-N 3.11Å; S434-V436 VanDerWaalsContact O-N 3.1Å; S434-V436 PolarHBondContact OG-N 3.23Å; S434-I437 PolarHBondContact O-N 2.74Å; S434-K438 PolarHBondContact O-N 3.43Å
435	E	77.5	Confident	67.2	Low	113 Å²	113	78.9 Å²	78.9	53%	0.528	42%	0.42	S	S	.	.	H	α-helix	trans	-54.4	-28.1	174.9	-168.7	55.8	-152.4	0	0	112	T433 K438 N439	T433-E435 PolarHBondContact O-N 2.8Å; E435-K438 PolarHBondContact O-N 2.89Å; E435-N439 WeakPolarHBondContact O-CB 3.35Å; E435-N439 PolarHBondContact O-N 2.77Å; E435-N439 PolarHBondContact O-ND2 2.87Å
436	V	80.9	Confident	69	Low	109 Å²	109	74.9 Å²	74.9	66%	0.661	40%	0.4	S	S	*	.	H	α-helix	trans	-62.3	-43	175.1	-177.7	0	0	0	0	111.7	S434 N439 L440	S434-V436 PolarHBondContact O-N 3.11Å; S434-V436 VanDerWaalsContact O-N 3.1Å; S434-V436 PolarHBondContact OG-N 3.23Å; V436-N439 PolarHBondContact O-N 2.86Å; V436-L440 WeakPolarHBondContact O-CB 3.38Å; V436-L440 PolarHBondContact O-N 3.25Å
437	I	81.7	Confident	71.4	Confident	21 Å²	21	75.3 Å²	75.3	11%	0.108	40%	0.395	C	S	.	.	H	α-helix	trans	-72.6	-38.3	-178.5	-63.1	165.1	0	0	0	110.3	T433 S434 L440 V441 L537 H540 L545	T433-I437 HydrophobicContact CG2-CB 3.98Å; T433-I437 HydrophobicContact CG2-CD1 4.04Å; T433-I437 HydrophobicContact CG2-CG2 4.05Å; S434-I437 PolarHBondContact O-N 2.74Å; I437-L440 WeakPolarHBondContact O-CB 3.3Å; I437-L440 PolarHBondContact O-N 2.88Å; I437-V441 WeakPolarHBondContact O-CG2 3.42Å; I437-V441 PolarHBondContact O-N 2.87Å; I437-L537 HydrophobicContact CG2-CD2 3.85Å; I437-H540 WeakPolarHBondContact CD1-CE1 3.37Å; I437-H540 WeakPolarHBondContact CD1-ND1 3.35Å; I437-H540 VanDerWaalsContact CD1-NE2 3.34Å; I437-H540 WeakPolarHBondContact CD1-NE2 3.25Å; I437-L545 HydrophobicContact CG2-CD2 3.66Å
438	K	82.2	Confident	74	Confident	61 Å²	61	73.3 Å²	73.3	27%	0.265	38%	0.381	S	S	.	.	H	α-helix	trans	-59.8	-49.2	174.1	-65.3	-177.9	-175.4	173	0	110.5	S434 E435 L440 V441 L442	S434-K438 PolarHBondContact O-N 3.43Å; E435-K438 PolarHBondContact O-N 2.89Å; K438-L440 VanDerWaalsContact C-N 3.31Å; K438-L440 PolarHBondContact O-N 2.97Å; K438-V441 PolarHBondContact O-N 3.02Å; K438-L442 WeakPolarHBondContact O-CB 3.3Å; K438-L442 VanDerWaalsContact O-CG 3.24Å; K438-L442 WeakPolarHBondContact O-CG 3.45Å; K438-L442 PolarHBondContact O-N 3.49Å
439	N	84.7	Confident	76.5	Confident	84 Å²	84	64 Å²	64	45%	0.449	34%	0.341	S	S	.	.	H	α-helix	trans	-62.2	-37.9	176.9	-74.8	-45.7	0	0	0	112.7	E435 V436 L442 Q443	E435-N439 WeakPolarHBondContact O-CB 3.35Å; E435-N439 PolarHBondContact O-N 2.77Å; E435-N439 PolarHBondContact O-ND2 2.87Å; V436-N439 PolarHBondContact O-N 2.86Å; N439-L442 PolarHBondContact O-N 2.78Å; N439-Q443 VanDerWaalsContact O-CB 3.29Å; N439-Q443 WeakPolarHBondContact O-CB 3.27Å; N439-Q443 PolarHBondContact O-N 3.17Å
440	L	88.2	Confident	78.8	Confident	38 Å²	38	58.1 Å²	58.1	20%	0.199	32%	0.315	C	S	.	.	H	α-helix	trans	-60	-49.2	174.2	175.5	60.2	0	0	0	112.1	V436 I437 K438 Q443 F444 L545 S579 I581	V436-L440 WeakPolarHBondContact O-CB 3.38Å; V436-L440 PolarHBondContact O-N 3.25Å; I437-L440 WeakPolarHBondContact O-CB 3.3Å; I437-L440 PolarHBondContact O-N 2.88Å; K438-L440 VanDerWaalsContact C-N 3.31Å; K438-L440 PolarHBondContact O-N 2.97Å; L440-Q443 PolarHBondContact O-N 2.92Å; L440-F444 WeakPolarHBondContact O-CB 3.43Å; L440-F444 PolarHBondContact O-N 2.95Å; L440-L545 HydrophobicContact CD2-CD1 4.42Å; L440-S579 WeakPolarHBondContact CD1-O 3.08Å; L440-I581 HydrophobicContact CD1-CG2 4.28Å; L440-I581 HydrophobicContact CD2-CG2 3.75Å; L440-I581 HydrophobicContact CG-CG2 3.96Å
441	V	89.3	Confident	81.2	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.024	29%	0.29	C	S	.	.	H	α-helix	trans	-64.8	-43.2	178.2	173.7	0	0	0	0	110.8	I437 K438 Q443 F444 L445 V535 F547	I437-V441 WeakPolarHBondContact O-CG2 3.42Å; I437-V441 PolarHBondContact O-N 2.87Å; K438-V441 PolarHBondContact O-N 3.02Å; V441-Q443 PolarHBondContact O-N 2.81Å; V441-F444 PolarHBondContact O-N 3Å; V441-L445 HydrophobicContact CG1-CD1 4.03Å; V441-L445 HydrophobicContact CG1-CG 4.35Å; V441-L445 VanDerWaalsContact O-CG 3.28Å; V441-L445 WeakPolarHBondContact O-CG 3.49Å; V441-L445 PolarHBondContact O-N 3.16Å; V441-V535 HydrophobicContact CG1-CG1 3.93Å; V441-F547 HydrophobicContact CG1-CD1 4.37Å; V441-F547 HydrophobicContact CG1-CD2 3.75Å; V441-F547 HydrophobicContact CG1-CE1 4.49Å; V441-F547 HydrophobicContact CG1-CE2 3.87Å; V441-F547 HydrophobicContact CG1-CG 4.01Å; V441-F547 HydrophobicContact CG1-CZ 4.26Å; V441-F547 HydrophobicContact CG2-CD1 4.22Å; V441-F547 HydrophobicContact CG2-CE1 4.36Å
442	L	87.8	Confident	83.8	Confident	17 Å²	17	53.4 Å²	53.4	9%	0.089	27%	0.274	C	S	.	.	H	α-helix	trans	-62.5	-41.7	178	-70.3	172.6	0	0	0	112.2	P424 K438 N439 L445 K446	P424-L442 HydrophobicContact CB-CD2 3.78Å; P424-L442 HydrophobicContact CG-CD2 4.36Å; K438-L442 WeakPolarHBondContact O-CB 3.3Å; K438-L442 VanDerWaalsContact O-CG 3.24Å; K438-L442 WeakPolarHBondContact O-CG 3.45Å; K438-L442 PolarHBondContact O-N 3.49Å; N439-L442 PolarHBondContact O-N 2.78Å; L442-L445 PolarHBondContact O-N 2.89Å; L442-K446 WeakPolarHBondContact O-CG 3.43Å; L442-K446 PolarHBondContact O-N 3.35Å; L442-K446 VanDerWaalsContact O-N 3.12Å
443	Q	87.9	Confident	85.9	Confident	93 Å²	93	46.2 Å²	46.2	44%	0.435	24%	0.236	S	C	.	.	H	α-helix	trans	-64.5	-45.8	175.9	-176.3	62.7	21.3	0	0	111.1	N439 L440 V441 L445 K446 E447	N439-Q443 VanDerWaalsContact O-CB 3.29Å; N439-Q443 WeakPolarHBondContact O-CB 3.27Å; N439-Q443 PolarHBondContact O-N 3.17Å; L440-Q443 PolarHBondContact O-N 2.92Å; V441-Q443 PolarHBondContact O-N 2.81Å; Q443-L445 VanDerWaalsContact C-N 3.34Å; Q443-L445 PolarHBondContact O-N 3.49Å; Q443-K446 PolarHBondContact O-N 2.85Å; Q443-E447 PolarHBondContact NE2-OE1 3.39Å; Q443-E447 PolarHBondContact O-N 2.82Å; Q443-E447 VanDerWaalsContact O-N 3.09Å
444	F	91.9	Very high	87.1	Confident	21 Å²	21	50.7 Å²	50.7	9%	0.092	26%	0.259	C	S	.	.	H	α-helix	trans	-56.4	-46.9	174.7	164.4	-94.8	0	0	0	111.7	L440 V441 K446 E447 Y448 F547 F571 I581 I583	L440-F444 WeakPolarHBondContact O-CB 3.43Å; L440-F444 PolarHBondContact O-N 2.95Å; V441-F444 PolarHBondContact O-N 3Å; F444-K446 VanDerWaalsContact C-N 3.34Å; F444-K446 PolarHBondContact O-N 2.83Å; F444-E447 PolarHBondContact O-N 3.31Å; F444-Y448 HydrophobicContact CE1-CG 4.45Å; F444-Y448 HydrophobicContact CE2-CD2 4.13Å; F444-Y448 AromaticContact CZ-CD2 3.77Å; F444-Y448 HydrophobicContact CZ-CD2 3.77Å; F444-Y448 HydrophobicContact CZ-CG 4.13Å; F444-Y448 WeakPolarHBondContact O-CB 3.03Å; F444-Y448 PolarHBondContact O-N 3.23Å; F444-F547 HydrophobicContact CD1-CE2 4.29Å; F444-F547 AromaticContact CD1-CZ 3.92Å; F444-F547 HydrophobicContact CD1-CZ 3.92Å; F444-F547 HydrophobicContact CE1-CE2 4.14Å; F444-F547 AromaticContact CE1-CZ 3.76Å; F444-F547 HydrophobicContact CE1-CZ 3.76Å; F444-F571 HydrophobicContact CE1-CE2 4.43Å; F444-I581 HydrophobicContact CB-CD1 3.78Å; F444-I581 HydrophobicContact CB-CG1 3.98Å; F444-I581 HydrophobicContact CD1-CD1 3.61Å; F444-I581 HydrophobicContact CD1-CG1 4.24Å; F444-I581 HydrophobicContact CD2-CD1 3.73Å; F444-I581 HydrophobicContact CD2-CG1 3.38Å; F444-I581 HydrophobicContact CE1-CD1 4.08Å; F444-I581 HydrophobicContact CE2-CD1 4.18Å; F444-I581 HydrophobicContact CE2-CG1 3.85Å; F444-I581 HydrophobicContact CG-CD1 3.4Å; F444-I581 HydrophobicContact CG-CG1 3.59Å; F444-I581 HydrophobicContact CZ-CD1 4.33Å; F444-I581 HydrophobicContact CZ-CG1 4.45Å; F444-I583 HydrophobicContact CE2-CD1 4.23Å; F444-I583 HydrophobicContact CE2-CG1 4.2Å; F444-I583 HydrophobicContact CZ-CD1 3.76Å; F444-I583 HydrophobicContact CZ-CG1 3.85Å
445	L	93.6	Very high	87	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-40.3	-178.8	-71	174.3	0	0	0	112.2	V441 L442 Q443 Y449 V535 F547 V549 F571	V441-L445 HydrophobicContact CG1-CD1 4.03Å; V441-L445 HydrophobicContact CG1-CG 4.35Å; V441-L445 VanDerWaalsContact O-CG 3.28Å; V441-L445 WeakPolarHBondContact O-CG 3.49Å; V441-L445 PolarHBondContact O-N 3.16Å; L442-L445 PolarHBondContact O-N 2.89Å; Q443-L445 VanDerWaalsContact C-N 3.34Å; Q443-L445 PolarHBondContact O-N 3.49Å; L445-Y449 HydrophobicContact CD2-CD2 4.38Å; L445-Y449 HydrophobicContact CD2-CE2 4.03Å; L445-Y449 WeakPolarHBondContact O-CB 3.37Å; L445-Y449 WeakPolarHBondContact O-CD2 3.37Å; L445-Y449 PolarHBondContact O-N 2.88Å; L445-V535 HydrophobicContact CD1-CB 4.48Å; L445-V535 HydrophobicContact CD1-CG1 4.13Å; L445-V535 HydrophobicContact CD1-CG2 3.48Å; L445-V535 VanDerWaalsContact CD1-CG2 3.48Å; L445-F547 HydrophobicContact CD2-CE2 4.11Å; L445-V549 HydrophobicContact CD1-CG2 3.87Å; L445-V549 HydrophobicContact CD2-CG2 3.61Å; L445-V549 HydrophobicContact CG-CG2 4.4Å; L445-F571 HydrophobicContact CD2-CE2 4.19Å
446	K	87.8	Confident	87.1	Confident	56 Å²	56	49 Å²	49	24%	0.243	26%	0.26	C	S	.	.	H	α-helix	trans	-59.5	-51.5	174.9	-73.5	175.1	-178.4	177	0	111.3	V423 L442 Q443 F444 L450	V423-K446 VanDerWaalsContact CG2-NZ 3.27Å; L442-K446 WeakPolarHBondContact O-CG 3.43Å; L442-K446 PolarHBondContact O-N 3.35Å; L442-K446 VanDerWaalsContact O-N 3.12Å; Q443-K446 PolarHBondContact O-N 2.85Å; F444-K446 VanDerWaalsContact C-N 3.34Å; F444-K446 PolarHBondContact O-N 2.83Å; K446-L450 WeakPolarHBondContact O-CB 3.46Å; K446-L450 PolarHBondContact O-N 3.4Å
447	E	89.8	Confident	87.7	Confident	90 Å²	90	44.2 Å²	44.2	42%	0.421	23%	0.23	S	C	.	.	H	α-helix	trans	-65.3	-43.6	-179.7	-70.7	177.4	-166.5	0	0	111.9	Q443 F444 L450 F451	Q443-E447 PolarHBondContact NE2-OE1 3.39Å; Q443-E447 PolarHBondContact O-N 2.82Å; Q443-E447 VanDerWaalsContact O-N 3.09Å; F444-E447 PolarHBondContact O-N 3.31Å; E447-L450 WeakPolarHBondContact O-CB 3.25Å; E447-L450 PolarHBondContact O-N 3.12Å; E447-F451 HydrophobicContact CB-CE2 4.49Å; E447-F451 WeakPolarHBondContact O-CD2 3.28Å; E447-F451 PolarHBondContact O-N 3.14Å; E447-F451 VanDerWaalsContact O-N 3.08Å
448	Y	94.3	Very high	88.1	Confident	5 Å²	5	47.1 Å²	47.1	2%	0.02	25%	0.245	C	C	.	.	H	α-helix	trans	-58.9	-53.2	179.6	-175.5	-87.2	0	0	0	111.2	F444 F451 Y452 L460 A463 Y464 R569 F571 I583	F444-Y448 HydrophobicContact CE1-CG 4.45Å; F444-Y448 HydrophobicContact CE2-CD2 4.13Å; F444-Y448 AromaticContact CZ-CD2 3.77Å; F444-Y448 HydrophobicContact CZ-CD2 3.77Å; F444-Y448 HydrophobicContact CZ-CG 4.13Å; F444-Y448 WeakPolarHBondContact O-CB 3.03Å; F444-Y448 PolarHBondContact O-N 3.23Å; Y448-F451 PolarHBondContact O-N 2.76Å; Y448-Y452 AromaticContact CE1-CD2 3.69Å; Y448-Y452 HydrophobicContact CE1-CD2 3.69Å; Y448-Y452 HydrophobicContact CE1-CE2 4.43Å; Y448-Y452 HydrophobicContact CE1-CG 4.35Å; Y448-Y452 WeakPolarHBondContact O-CB 3.3Å; Y448-Y452 PolarHBondContact O-N 3.01Å; Y448-L460 HydrophobicContact CD2-CD2 3.84Å; Y448-L460 HydrophobicContact CE2-CD1 4.41Å; Y448-L460 HydrophobicContact CE2-CD2 3.75Å; Y448-L460 HydrophobicContact CG-CD2 4.34Å; Y448-A463 HydrophobicContact CD2-CB 4.23Å; Y448-A463 HydrophobicContact CE2-CB 4.4Å; Y448-Y464 HydrophobicContact CE2-CE2 4Å; Y448-Y464 PolarHBondContact OH-OH 2.84Å; Y448-R569 VanDerWaalsContact OH-CZ 3.24Å; Y448-R569 PolarHBondContact OH-NH1 2.74Å; Y448-R569 PolarHBondContact OH-NH2 3.45Å; Y448-F571 HydrophobicContact CD1-CZ 4.43Å; Y448-F571 HydrophobicContact CE1-CZ 4.09Å; Y448-I583 HydrophobicContact CD2-CD1 4.14Å; Y448-I583 HydrophobicContact CE2-CD1 3.7Å
449	Y	94.6	Very high	88.4	Confident	4 Å²	4	52 Å²	52	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-74.8	-27.1	-178.4	-78.6	-76.8	0	0	0	113.1	L445 F451 Y452 D453 H528 L530 F533 F567 R569	L445-Y449 HydrophobicContact CD2-CD2 4.38Å; L445-Y449 HydrophobicContact CD2-CE2 4.03Å; L445-Y449 WeakPolarHBondContact O-CB 3.37Å; L445-Y449 WeakPolarHBondContact O-CD2 3.37Å; L445-Y449 PolarHBondContact O-N 2.88Å; Y449-F451 VanDerWaalsContact C-N 3.31Å; Y449-F451 PolarHBondContact O-N 2.95Å; Y449-Y452 HydrophobicContact CD1-CG 4.41Å; Y449-Y452 PolarHBondContact O-N 2.77Å; Y449-D453 WeakPolarHBondContact O-CB 3.42Å; Y449-D453 PolarHBondContact O-N 3.14Å; Y449-H528 HydrophobicContact CD1-CB 4.05Å; Y449-H528 AromaticContact CD1-CD2 3.58Å; Y449-H528 AromaticContact CD1-CE1 3.67Å; Y449-H528 AromaticContact CD1-CG 3.4Å; Y449-H528 VanDerWaalsContact CD1-CG 3.4Å; Y449-H528 AromaticContact CD1-ND1 3.44Å; Y449-H528 WeakPolarHBondContact CD1-ND1 3.49Å; Y449-H528 AromaticContact CD1-NE2 3.78Å; Y449-H528 AromaticContact CE1-CD2 3.27Å; Y449-H528 WeakPolarHBondContact CE1-CD2 3.17Å; Y449-H528 AromaticContact CE1-CE1 3.54Å; Y449-H528 AromaticContact CE1-CG 3.63Å; Y449-H528 AromaticContact CE1-ND1 3.77Å; Y449-H528 AromaticContact CE1-NE2 3.24Å; Y449-H528 WeakPolarHBondContact CE1-NE2 3.39Å; Y449-L530 HydrophobicContact CG-CD2 4.42Å; Y449-F533 HydrophobicContact CD1-CZ 4.19Å; Y449-F533 AromaticContact CD2-CE2 3.45Å; Y449-F533 HydrophobicContact CD2-CE2 3.45Å; Y449-F533 VanDerWaalsContact CD2-CE2 3.45Å; Y449-F533 AromaticContact CD2-CZ 3.8Å; Y449-F533 HydrophobicContact CD2-CZ 3.8Å; Y449-F533 HydrophobicContact CE1-CZ 4.16Å; Y449-F533 AromaticContact CE2-CE2 3.45Å; Y449-F533 HydrophobicContact CE2-CE2 3.45Å; Y449-F533 VanDerWaalsContact CE2-CE2 3.45Å; Y449-F533 AromaticContact CE2-CZ 3.76Å; Y449-F533 HydrophobicContact CE2-CZ 3.76Å; Y449-F533 HydrophobicContact CG-CE2 4.07Å; Y449-F533 AromaticContact CG-CZ 4Å; Y449-F533 HydrophobicContact CG-CZ 4Å; Y449-F533 AromaticContact CZ-CZ 3.92Å; Y449-F567 HydrophobicContact CE1-CZ 4.46Å; Y449-F567 AromaticContact CZ-CZ 3.96Å; Y449-F567 WeakPolarHBondContact OH-CE2 3.48Å; Y449-F567 WeakPolarHBondContact OH-CZ 2.97Å; Y449-R569 WeakPolarHBondContact OH-CD 3.11Å
450	L	89.1	Confident	88.8	Confident	73 Å²	73	48 Å²	48	38%	0.382	24%	0.241	S	C	.	.	H	α-helix	trans	-57.3	-45.6	168.4	-178	76	0	0	0	110.9	K446 E447 N454	K446-L450 WeakPolarHBondContact O-CB 3.46Å; K446-L450 PolarHBondContact O-N 3.4Å; E447-L450 WeakPolarHBondContact O-CB 3.25Å; E447-L450 PolarHBondContact O-N 3.12Å; L450-N454 WeakPolarHBondContact CD1-ND2 3.39Å; L450-N454 WeakPolarHBondContact O-CB 3.3Å; L450-N454 PolarHBondContact O-N 3.11Å; L450-N454 VanDerWaalsContact O-N 3.13Å; L450-N454 PolarHBondContact O-ND2 2.96Å
451	F	90.7	Very high	89	Confident	56 Å²	56	48.1 Å²	48.1	25%	0.246	24%	0.241	C	C	.	.	H	α-helix	trans	-78.2	-28.5	176.3	-62.4	-45.4	0	0	0	113.4	E447 Y448 Y449 D453 R459 L460	E447-F451 HydrophobicContact CB-CE2 4.49Å; E447-F451 WeakPolarHBondContact O-CD2 3.28Å; E447-F451 PolarHBondContact O-N 3.14Å; E447-F451 VanDerWaalsContact O-N 3.08Å; Y448-F451 PolarHBondContact O-N 2.76Å; Y449-F451 VanDerWaalsContact C-N 3.31Å; Y449-F451 PolarHBondContact O-N 2.95Å; F451-D453 VanDerWaalsContact C-N 3.35Å; F451-R459 HydrophobicContact CB-CB 4.3Å; F451-R459 HydrophobicContact CD1-CB 4.24Å; F451-R459 VanDerWaalsContact CE1-CZ 3.48Å; F451-R459 HydrophobicContact CG-CB 4.16Å; F451-L460 HydrophobicContact CB-CD2 3.88Å
452	Y	94.1	Very high	89.1	Confident	9 Å²	9	54.5 Å²	54.5	4%	0.035	28%	0.275	C	S	.	.	H	α-helix	trans	-66.9	-37	178.7	-163.7	-83.6	0	0	0	112.5	Y448 Y449 R457 L460 L520 T526 H528 R569	Y448-Y452 AromaticContact CE1-CD2 3.69Å; Y448-Y452 HydrophobicContact CE1-CD2 3.69Å; Y448-Y452 HydrophobicContact CE1-CE2 4.43Å; Y448-Y452 HydrophobicContact CE1-CG 4.35Å; Y448-Y452 WeakPolarHBondContact O-CB 3.3Å; Y448-Y452 PolarHBondContact O-N 3.01Å; Y449-Y452 HydrophobicContact CD1-CG 4.41Å; Y449-Y452 PolarHBondContact O-N 2.77Å; Y452-R457 VanDerWaalsContact CE1-NH2 3.27Å; Y452-R457 PolarHBondContact O-NE 2.84Å; Y452-R457 VanDerWaalsContact O-NE 3.12Å; Y452-L460 HydrophobicContact CD2-CD1 3.6Å; Y452-L460 HydrophobicContact CE2-CD1 4.29Å; Y452-L460 HydrophobicContact CG-CD1 4.42Å; Y452-L520 HydrophobicContact CE2-CD1 4.14Å; Y452-L520 HydrophobicContact CE2-CD2 4.03Å; Y452-L520 HydrophobicContact CE2-CG 4.47Å; Y452-T526 WeakPolarHBondContact CD1-OG1 3.19Å; Y452-T526 VanDerWaalsContact CE1-OG1 3.32Å; Y452-T526 WeakPolarHBondContact CE1-OG1 3.49Å; Y452-H528 AromaticContact CD1-CE1 3.68Å; Y452-H528 AromaticContact CE1-CE1 3.81Å; Y452-R569 VanDerWaalsContact CE2-NH1 3.32Å
453	D	92.3	Very high	89.3	Confident	34 Å²	34	54.5 Å²	54.5	18%	0.182	28%	0.278	C	S	.	.	H	α-helix	trans	-97.4	-32.2	-175.9	-67.8	-22.5	0	0	0	113.4	Y449 F451 G455 T526 H528	Y449-D453 WeakPolarHBondContact O-CB 3.42Å; Y449-D453 PolarHBondContact O-N 3.14Å; F451-D453 VanDerWaalsContact C-N 3.35Å; D453-G455 PolarHBondContact O-N 3.41Å; D453-T526 WeakPolarHBondContact CB-O 3.38Å; D453-T526 VanDerWaalsContact CG-O 3.23Å; D453-T526 VanDerWaalsContact OD1-C 3.26Å; D453-T526 WeakPolarHBondContact OD1-CB 3.36Å; D453-T526 PolarHBondContact OD1-OG1 2.88Å; D453-H528 VanDerWaalsContact CG-ND1 3.27Å; D453-H528 IonicContact OD1-CE1 2.79Å; D453-H528 PolarHBondContact OD1-CE1 3.18Å; D453-H528 IonicContact OD1-ND1 2.72Å; D453-H528 PolarHBondContact OD1-ND1 2.65Å; D453-H528 WeakPolarHBondContact OD2-CB 3.44Å; D453-H528 IonicContact OD2-CG 3.43Å; D453-H528 PolarHBondContact OD2-N 3.14Å; D453-H528 IonicContact OD2-ND1 2.95Å; D453-H528 PolarHBondContact OD2-ND1 3.02Å
454	N	80.7	Confident	89.7	Confident	113 Å²	113	50.3 Å²	50.3	60%	0.604	26%	0.258	S	S	*	.	S	Bend	trans	-87.6	86.9	-179.4	-67.6	-51.7	0	0	0	112.8	L450	L450-N454 WeakPolarHBondContact CD1-ND2 3.39Å; L450-N454 WeakPolarHBondContact O-CB 3.3Å; L450-N454 PolarHBondContact O-N 3.11Å; L450-N454 VanDerWaalsContact O-N 3.13Å; L450-N454 PolarHBondContact O-ND2 2.96Å
455	G	68.3	Low	89.9	Confident	48 Å²	48	52.8 Å²	52.8	50%	0.495	27%	0.27	S	S	.	.	S	Bend	trans	84.1	-126.6	166.8	0	0	0	0	0	113.9	D453	D453-G455 PolarHBondContact O-N 3.41Å
456	D	79.4	Confident	90	Very high	92 Å²	92	57.1 Å²	57.1	49%	0.492	29%	0.293	S	S	.	.			trans	-85.2	122.3	-174.2	-169.7	-5.4	0	0	0	111.9	L458	D456-L458 PolarHBondContact O-N 2.92Å; D456-L458 VanDerWaalsContact O-N 3.09Å; D456-L458 WeakPolarHBondContact OD1-CG 3.5Å; D456-L458 PolarHBondContact OD1-N 3.01Å; D456-L458 VanDerWaalsContact OD1-N 3.08Å; D456-L458 WeakPolarHBondContact OD2-CD1 3.33Å; D456-L458 WeakPolarHBondContact OD2-CG 3.27Å
457	R	92.6	Very high	90.3	Very high	9 Å²	9	60.5 Å²	60.5	3%	0.034	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-68.4	-3.3	179.9	-64.8	-177.7	176.8	137.9	1	113.2	Y452 R459 L460 V517 L520 L523 P524 T526	Y452-R457 VanDerWaalsContact CE1-NH2 3.27Å; Y452-R457 PolarHBondContact O-NE 2.84Å; Y452-R457 VanDerWaalsContact O-NE 3.12Å; R457-R459 PolarHBondContact O-N 3.27Å; R457-R459 VanDerWaalsContact O-N 3.11Å; R457-L460 HydrophobicContact CB-CD1 4.03Å; R457-L460 HydrophobicContact CG-CD1 4.38Å; R457-L460 VanDerWaalsContact O-CB 3.25Å; R457-L460 WeakPolarHBondContact O-CB 3.26Å; R457-L460 WeakPolarHBondContact O-CG 3.3Å; R457-L460 PolarHBondContact O-N 2.81Å; R457-V517 WeakPolarHBondContact O-CG1 3.15Å; R457-L520 PolarHBondContact NH1-O 2.98Å; R457-L523 PolarHBondContact NH1-O 3.29Å; R457-P524 PolarHBondContact NH1-O 3.44Å; R457-P524 PolarHBondContact NH2-O 3.08Å; R457-T526 PolarHBondContact NH2-OG1 3.41Å
458	L	90.1	Very high	90.6	Very high	82 Å²	82	56.2 Å²	56.2	43%	0.429	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-51.3	-31.3	173.4	-76.2	-176.6	0	0	0	114.1	D456 L460 L461 V517	D456-L458 PolarHBondContact O-N 2.92Å; D456-L458 VanDerWaalsContact O-N 3.09Å; D456-L458 WeakPolarHBondContact OD1-CG 3.5Å; D456-L458 PolarHBondContact OD1-N 3.01Å; D456-L458 VanDerWaalsContact OD1-N 3.08Å; D456-L458 WeakPolarHBondContact OD2-CD1 3.33Å; D456-L458 WeakPolarHBondContact OD2-CG 3.27Å; L458-L460 PolarHBondContact O-N 3.04Å; L458-L460 VanDerWaalsContact O-N 3.14Å; L458-L461 HydrophobicContact CD2-CD1 4.49Å; L458-L461 WeakPolarHBondContact O-CB 3.34Å; L458-L461 WeakPolarHBondContact O-CD1 3.31Å; L458-L461 VanDerWaalsContact O-CG 3.29Å; L458-L461 WeakPolarHBondContact O-CG 3.02Å; L458-L461 PolarHBondContact O-N 2.8Å; L458-L461 VanDerWaalsContact O-N 3.12Å; L458-V517 HydrophobicContact CD2-CG1 4.14Å
459	R	88.8	Confident	90.8	Very high	164 Å²	164	57.2 Å²	57.2	62%	0.619	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-65.6	-14	177.9	-61.1	-170.9	74.8	169.1	2.7	113.7	F451 R457 L461	F451-R459 HydrophobicContact CB-CB 4.3Å; F451-R459 HydrophobicContact CD1-CB 4.24Å; F451-R459 VanDerWaalsContact CE1-CZ 3.48Å; F451-R459 HydrophobicContact CG-CB 4.16Å; R457-R459 PolarHBondContact O-N 3.27Å; R457-R459 VanDerWaalsContact O-N 3.11Å; R459-L461 PolarHBondContact O-N 3.45Å
460	L	93.6	Very high	90.9	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-74	-11.4	175	-60.9	176.2	0	0	0	112.9	Y448 F451 Y452 R457 L458 D462 A463 Y464 V517 L520	Y448-L460 HydrophobicContact CD2-CD2 3.84Å; Y448-L460 HydrophobicContact CE2-CD1 4.41Å; Y448-L460 HydrophobicContact CE2-CD2 3.75Å; Y448-L460 HydrophobicContact CG-CD2 4.34Å; F451-L460 HydrophobicContact CB-CD2 3.88Å; Y452-L460 HydrophobicContact CD2-CD1 3.6Å; Y452-L460 HydrophobicContact CE2-CD1 4.29Å; Y452-L460 HydrophobicContact CG-CD1 4.42Å; R457-L460 HydrophobicContact CB-CD1 4.03Å; R457-L460 HydrophobicContact CG-CD1 4.38Å; R457-L460 VanDerWaalsContact O-CB 3.25Å; R457-L460 WeakPolarHBondContact O-CB 3.26Å; R457-L460 WeakPolarHBondContact O-CG 3.3Å; R457-L460 PolarHBondContact O-N 2.81Å; L458-L460 PolarHBondContact O-N 3.04Å; L458-L460 VanDerWaalsContact O-N 3.14Å; L460-D462 PolarHBondContact O-N 2.94Å; L460-D462 VanDerWaalsContact O-N 3.14Å; L460-A463 WeakPolarHBondContact O-CB 3.23Å; L460-A463 PolarHBondContact O-N 2.79Å; L460-Y464 HydrophobicContact CB-CE2 4.25Å; L460-Y464 VanDerWaalsContact O-CD2 3.3Å; L460-Y464 WeakPolarHBondContact O-CD2 3.1Å; L460-V517 HydrophobicContact CB-CG2 4.09Å; L460-L520 HydrophobicContact CD1-CD1 4.12Å
461	L	93.1	Very high	91.3	Very high	39 Å²	39	54.5 Å²	54.5	20%	0.204	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-53.2	-36.9	178.5	-76.6	168.6	0	0	0	112.6	L458 R459 A463 Y464 K513 V517	L458-L461 HydrophobicContact CD2-CD1 4.49Å; L458-L461 WeakPolarHBondContact O-CB 3.34Å; L458-L461 WeakPolarHBondContact O-CD1 3.31Å; L458-L461 VanDerWaalsContact O-CG 3.29Å; L458-L461 WeakPolarHBondContact O-CG 3.02Å; L458-L461 PolarHBondContact O-N 2.8Å; L458-L461 VanDerWaalsContact O-N 3.12Å; R459-L461 PolarHBondContact O-N 3.45Å; L461-A463 VanDerWaalsContact C-N 3.25Å; L461-A463 PolarHBondContact O-N 3.35Å; L461-Y464 PolarHBondContact O-N 3.03Å; L461-K513 HydrophobicContact CD2-CB 4.34Å; L461-K513 HydrophobicContact CD2-CD 4.43Å; L461-K513 HydrophobicContact CD2-CG 4.03Å; L461-V517 HydrophobicContact CD2-CB 4.01Å; L461-V517 HydrophobicContact CD2-CG1 4.46Å; L461-V517 HydrophobicContact CD2-CG2 3.83Å; L461-V517 HydrophobicContact CG-CB 4.33Å; L461-V517 HydrophobicContact CG-CG1 4.3Å; L461-V517 HydrophobicContact CG-CG2 4.05Å
462	D	90.5	Very high	91.5	Very high	138 Å²	138	52 Å²	52	74%	0.738	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-74.8	-15.1	-179.8	-64.3	-26.9	0	0	0	113.3	L460	L460-D462 PolarHBondContact O-N 2.94Å; L460-D462 VanDerWaalsContact O-N 3.14Å
463	A	92.8	Very high	91.5	Very high	18 Å²	18	52.3 Å²	52.3	15%	0.149	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-83.8	-20.3	176.6	0	0	0	0	0	112.8	Y448 L460 L461 I583	Y448-A463 HydrophobicContact CD2-CB 4.23Å; Y448-A463 HydrophobicContact CE2-CB 4.4Å; L460-A463 WeakPolarHBondContact O-CB 3.23Å; L460-A463 PolarHBondContact O-N 2.79Å; L461-A463 VanDerWaalsContact C-N 3.25Å; L461-A463 PolarHBondContact O-N 3.35Å; A463-I583 HydrophobicContact CB-CD1 4.12Å; A463-I583 WeakPolarHBondContact O-CG1 3.44Å; A463-I583 PolarHBondContact O-N 3.23Å
464	Y	96.3	Very high	91.4	Very high	5 Å²	5	50.8 Å²	50.8	2%	0.02	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	142	-175.4	-72.9	-88.4	0	0	0	112.8	Y448 L460 L461 A468 I516 V517 L520 R569 I583 D586	Y448-Y464 HydrophobicContact CE2-CE2 4Å; Y448-Y464 PolarHBondContact OH-OH 2.84Å; L460-Y464 HydrophobicContact CB-CE2 4.25Å; L460-Y464 VanDerWaalsContact O-CD2 3.3Å; L460-Y464 WeakPolarHBondContact O-CD2 3.1Å; L461-Y464 PolarHBondContact O-N 3.03Å; Y464-A468 HydrophobicContact CD1-CB 3.93Å; Y464-I516 HydrophobicContact CD1-CD1 3.67Å; Y464-I516 HydrophobicContact CD1-CG2 4.1Å; Y464-I516 HydrophobicContact CD2-CG2 4.47Å; Y464-I516 HydrophobicContact CE1-CD1 4.04Å; Y464-I516 HydrophobicContact CE1-CG2 3.7Å; Y464-I516 HydrophobicContact CE2-CG2 4.14Å; Y464-I516 HydrophobicContact CG-CD1 4.36Å; Y464-I516 HydrophobicContact CG-CG2 4.48Å; Y464-V517 HydrophobicContact CD2-CG2 4.31Å; Y464-L520 HydrophobicContact CE2-CD1 4.28Å; Y464-R569 PolarHBondContact OH-NH2 3.19Å; Y464-I583 HydrophobicContact CD1-CB 3.74Å; Y464-I583 HydrophobicContact CD1-CD1 4.04Å; Y464-I583 HydrophobicContact CD1-CG2 3.81Å; Y464-I583 HydrophobicContact CD2-CD1 4.22Å; Y464-I583 HydrophobicContact CE1-CB 3.94Å; Y464-I583 HydrophobicContact CE1-CD1 3.69Å; Y464-I583 HydrophobicContact CE1-CG1 4.46Å; Y464-I583 HydrophobicContact CE1-CG2 3.64Å; Y464-I583 HydrophobicContact CE2-CD1 3.87Å; Y464-I583 HydrophobicContact CG-CB 4.36Å; Y464-I583 HydrophobicContact CG-CD1 4.28Å; Y464-D586 HydrophobicContact CE1-CB 3.94Å; Y464-D586 PolarHBondContact OH-OD2 3.26Å
465	H	95.8	Very high	91.4	Very high	73 Å²	73	48.4 Å²	48.4	34%	0.338	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	151.9	171	-171.6	-100.3	0	0	0	111.3	Q467 A468 C582 I583 M584	H465-Q467 PolarHBondContact ND1-N 2.95Å; H465-Q467 VanDerWaalsContact ND1-N 3.15Å; H465-Q467 PolarHBondContact O-N 3.26Å; H465-Q467 VanDerWaalsContact O-N 3.07Å; H465-A468 HydrophobicContact CB-CB 4.28Å; H465-A468 WeakPolarHBondContact O-CB 3.38Å; H465-A468 PolarHBondContact O-N 2.97Å; H465-C582 VanDerWaalsContact CA-SG 3.58Å; H465-C582 PolarHBondContact N-SG 2.79Å; H465-I583 WeakPolarHBondContact CB-O 3.45Å; H465-I583 PolarHBondContact N-O 3.47Å; H465-M584 HydrophobicContact CB-SD 3.48Å; H465-M584 WeakPolarHBondContact CB-SD 3.29Å; H465-M584 PolarHBondContact ND1-SD 3.41Å; H465-M584 VanDerWaalsContact ND1-SD 3.42Å
466	D	95	Very high	91.4	Very high	90 Å²	90	50.3 Å²	50.3	48%	0.481	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	-26.7	-179.8	-73	-21.8	0	0	0	113.4	T512 K513	D466-T512 WeakPolarHBondContact O-CA 3.4Å; D466-T512 WeakPolarHBondContact O-CB 3.42Å; D466-K513 VanDerWaalsContact OD1-CD 3.26Å; D466-K513 WeakPolarHBondContact OD1-CD 3.29Å; D466-K513 WeakPolarHBondContact OD1-CE 3.42Å; D466-K513 IonicContact OD1-NZ 2.89Å; D466-K513 PolarHBondContact OD1-NZ 3.27Å
467	Q	94.1	Very high	90.4	Very high	128 Å²	128	50 Å²	50	60%	0.598	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	19.8	177.9	-60.2	-63.3	-20.5	0	0	113.1	H465	H465-Q467 PolarHBondContact ND1-N 2.95Å; H465-Q467 VanDerWaalsContact ND1-N 3.15Å; H465-Q467 PolarHBondContact O-N 3.26Å; H465-Q467 VanDerWaalsContact O-N 3.07Å
468	A	96.9	Very high	88.5	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	155.6	179.7	0	0	0	0	0	112	Y464 H465 T512 I516 I583 M584	Y464-A468 HydrophobicContact CD1-CB 3.93Å; H465-A468 HydrophobicContact CB-CB 4.28Å; H465-A468 WeakPolarHBondContact O-CB 3.38Å; H465-A468 PolarHBondContact O-N 2.97Å; A468-T512 PolarHBondContact O-N 2.99Å; A468-I516 HydrophobicContact CB-CD1 3.52Å; A468-I583 WeakPolarHBondContact CB-O 3.33Å; A468-M584 CarbonylContact C-O 3.51Å; A468-M584 WeakPolarHBondContact CA-O 3.23Å
469	C	97.4	Very high	86.4	Confident	26 Å²	26	56.3 Å²	56.3	18%	0.176	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.6	176.5	-65	0	0	0	0	111.1	L509 K510 H511 M584 N585 D586	C469-L509 HydrophobicContact CB-CD1 4.38Å; C469-K510 CarbonylContact C-O 3.27Å; C469-K510 VanDerWaalsContact CA-O 3.26Å; C469-K510 WeakPolarHBondContact CA-O 3.47Å; C469-H511 PolarHBondContact SG-ND1 2.75Å; C469-M584 PolarHBondContact N-O 2.69Å; C469-N585 WeakPolarHBondContact O-CA 3.46Å; C469-D586 PolarHBondContact O-N 2.63Å
470	F	98	Very high	84.7	Confident	8 Å²	8	50.6 Å²	50.6	4%	0.035	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.8	173.6	170.8	-109.7	0	0	0	112	L472 K510 I516 L520 D586 L588	F470-L472 HydrophobicContact CE1-CB 4.3Å; F470-L472 HydrophobicContact CZ-CB 4.02Å; F470-K510 HydrophobicContact CB-CB 4.21Å; F470-K510 HydrophobicContact CD1-CB 4.39Å; F470-K510 HydrophobicContact CD1-CG 4.01Å; F470-K510 PolarHBondContact N-O 2.77Å; F470-K510 PolarHBondContact O-N 3.45Å; F470-I516 HydrophobicContact CB-CB 4.14Å; F470-I516 HydrophobicContact CB-CD1 3.98Å; F470-I516 HydrophobicContact CB-CG1 3.58Å; F470-I516 HydrophobicContact CB-CG2 3.71Å; F470-I516 HydrophobicContact CG-CG2 4.07Å; F470-L520 HydrophobicContact CE1-CD2 4.03Å; F470-L520 HydrophobicContact CE2-CD2 3.9Å; F470-L520 HydrophobicContact CZ-CD2 3.58Å; F470-D586 VanDerWaalsContact CA-O 3.27Å; F470-D586 WeakPolarHBondContact CA-O 3.29Å; F470-D586 HydrophobicContact CD2-CB 4Å; F470-D586 WeakPolarHBondContact CD2-O 3.3Å; F470-D586 WeakPolarHBondContact CD2-OD2 3.35Å; F470-D586 WeakPolarHBondContact CE2-OD2 3.09Å; F470-L588 HydrophobicContact CE2-CB 3.79Å; F470-L588 HydrophobicContact CZ-CB 4.24Å; F470-L588 HydrophobicContact CZ-CD2 4.47Å
471	S	96.9	Very high	82.5	Confident	12 Å²	12	56.1 Å²	56.1	8%	0.084	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	144.7	165.9	55.1	0	0	0	0	112.1	D586 E587 L588	S471-D586 PolarHBondContact N-O 2.76Å; S471-E587 WeakPolarHBondContact O-CA 3.45Å; S471-L588 PolarHBondContact O-N 2.8Å
472	L	96.1	Very high	80.7	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.01	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.4	173.7	-175.4	147.4	0	0	0	109.7	F470 V474 Y489 S493 R494 L523 L588	F470-L472 HydrophobicContact CE1-CB 4.3Å; F470-L472 HydrophobicContact CZ-CB 4.02Å; L472-V474 HydrophobicContact CD2-CG2 3.75Å; L472-Y489 HydrophobicContact CD1-CD1 4.04Å; L472-S493 CarbonylContact O-C 3.46Å; L472-S493 WeakPolarHBondContact O-CA 3.36Å; L472-R494 PolarHBondContact O-N 3.36Å; L472-L523 HydrophobicContact CD1-CD1 3.85Å; L472-L523 HydrophobicContact CD1-CD2 4Å; L472-L588 CarbonylContact C-O 3.47Å; L472-L588 VanDerWaalsContact CA-O 3.28Å; L472-L588 WeakPolarHBondContact CA-O 3.37Å; L472-L588 HydrophobicContact CD1-CD2 4.06Å; L472-L588 HydrophobicContact CD1-CG 4.49Å
473	S	93.1	Very high	79	Confident	17 Å²	17	53.8 Å²	53.8	12%	0.119	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.3	175.8	-66.9	0	0	0	0	110.1	L588 I589 V590	S473-L588 PolarHBondContact N-O 2.85Å; S473-I589 VanDerWaalsContact O-CA 3.25Å; S473-I589 WeakPolarHBondContact O-CA 3.47Å; S473-V590 PolarHBondContact O-N 2.95Å
474	V	90.6	Very high	77.4	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.012	33%	0.327	C	S	.	.			trans	-115.5	113	171.1	-177.9	0	0	0	0	107.1	L472 F476 L486 F490 S493	L472-V474 HydrophobicContact CD2-CG2 3.75Å; V474-F476 PolarHBondContact O-N 3.44Å; V474-L486 HydrophobicContact CG1-CB 4.38Å; V474-L486 HydrophobicContact CG1-CD1 3.9Å; V474-F490 HydrophobicContact CB-CD1 4.04Å; V474-F490 HydrophobicContact CB-CE1 3.85Å; V474-F490 HydrophobicContact CB-CZ 4.4Å; V474-F490 HydrophobicContact CG1-CD1 4.09Å; V474-F490 HydrophobicContact CG1-CE1 3.54Å; V474-F490 HydrophobicContact CG1-CE2 4.17Å; V474-F490 HydrophobicContact CG1-CZ 3.59Å; V474-S493 PolarHBondContact N-OG 2.95Å
475	P	81.4	Confident	76	Confident	63 Å²	63	61.1 Å²	61.1	41%	0.409	34%	0.342	S	S	.	.			trans	-64.1	129.1	176.6	27.9	-27.9	0	0	0	108	I589 V590 R591	P475-I589 HydrophobicContact CG-CG2 4.26Å; P475-V590 WeakPolarHBondContact CD-O 3.44Å; P475-R591 HydrophobicContact CG-CB 3.75Å
476	F	66.8	Low	75.2	Confident	87 Å²	87	57.9 Å²	57.9	38%	0.382	33%	0.326	S	S	.	.			trans	-97.2	103.7	-178.3	-175.4	-93.8	0	0	0	108.5	V474 V478 L483 F490 R498	V474-F476 PolarHBondContact O-N 3.44Å; F476-V478 HydrophobicContact CD1-CG2 4.15Å; F476-V478 HydrophobicContact CE1-CG2 3.72Å; F476-L483 HydrophobicContact CD2-CD2 3.86Å; F476-L483 HydrophobicContact CE2-CD2 3.37Å; F476-L483 HydrophobicContact CZ-CD2 4.02Å; F476-F490 HydrophobicContact CD2-CE1 4.04Å; F476-F490 HydrophobicContact CD2-CZ 4.13Å; F476-R498 VanDerWaalsContact CB-NH1 3.29Å; F476-R498 VanDerWaalsContact CG-NH1 3.3Å
477	D	59.8	Low	74.4	Confident	87 Å²	87	58.3 Å²	58.3	47%	0.465	33%	0.326	S	S	.	.			trans	-99.8	120.9	169.4	-167	-10.4	0	0	0	109.2	S479 D480	D477-S479 PolarHBondContact O-N 3.49Å; D477-S479 WeakPolarHBondContact OD1-CB 3.3Å; D477-S479 PolarHBondContact OD1-N 2.93Å; D477-S479 PolarHBondContact OD1-OG 3.41Å; D477-D480 HydrophobicContact CB-CB 4.46Å; D477-D480 PolarHBondContact O-N 2.96Å
478	V	51.7	Low	73.8	Confident	125 Å²	125	55 Å²	55	76%	0.758	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.6	176.7	-176.6	0	0	0	0	111	F476	F476-V478 HydrophobicContact CD1-CG2 4.15Å; F476-V478 HydrophobicContact CE1-CG2 3.72Å
479	S	45.9	Very low	73.4	Confident	97 Å²	97	55.1 Å²	55.1	68%	0.678	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-8.6	-174.7	-33	0	0	0	0	113.3	D477 P481	D477-S479 PolarHBondContact O-N 3.49Å; D477-S479 WeakPolarHBondContact OD1-CB 3.3Å; D477-S479 PolarHBondContact OD1-N 2.93Å; D477-S479 PolarHBondContact OD1-OG 3.41Å; S479-P481 WeakPolarHBondContact O-CD 3.33Å
480	D	52.9	Low	72.8	Confident	45 Å²	45	56.4 Å²	56.4	24%	0.241	31%	0.313	C	S	.	.			trans	-89.4	107.7	-178.4	-169.3	-10.6	0	0	0	110.9	D477 N482 L483 N592	D477-D480 HydrophobicContact CB-CB 4.46Å; D477-D480 PolarHBondContact O-N 2.96Å; D480-N482 PolarHBondContact O-N 2.98Å; D480-N482 VanDerWaalsContact O-N 3.08Å; D480-N482 WeakPolarHBondContact OD1-CB 3.12Å; D480-N482 PolarHBondContact OD1-N 3.44Å; D480-L483 PolarHBondContact O-N 3.22Å; D480-N592 PolarHBondContact OD2-ND2 3.44Å
481	P	48.8	Very low	72.2	Confident	117 Å²	117	63.3 Å²	63.3	76%	0.76	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-10.3	179.1	28	-35	0	0	0	113.3	S479	S479-P481 WeakPolarHBondContact O-CD 3.33Å
482	N	53.5	Low	71.8	Confident	86 Å²	86	66.2 Å²	66.2	46%	0.46	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	22.2	-178.6	-66.6	-53.3	0	0	0	114	D480 N484 N485	D480-N482 PolarHBondContact O-N 2.98Å; D480-N482 VanDerWaalsContact O-N 3.08Å; D480-N482 WeakPolarHBondContact OD1-CB 3.12Å; D480-N482 PolarHBondContact OD1-N 3.44Å; N482-N484 PolarHBondContact O-N 2.75Å; N482-N484 VanDerWaalsContact O-N 3.12Å; N482-N485 WeakPolarHBondContact O-CB 3.25Å; N482-N485 PolarHBondContact O-N 3.24Å
483	L	55	Low	71.6	Confident	41 Å²	41	66.9 Å²	66.9	22%	0.215	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-57.5	-29.4	-177.4	-147.4	78.1	0	0	0	113.8	F476 D480 N485 L486 F490	F476-L483 HydrophobicContact CD2-CD2 3.86Å; F476-L483 HydrophobicContact CE2-CD2 3.37Å; F476-L483 HydrophobicContact CZ-CD2 4.02Å; D480-L483 PolarHBondContact O-N 3.22Å; L483-N485 PolarHBondContact O-N 3.03Å; L483-N485 VanDerWaalsContact O-N 3.16Å; L483-L486 PolarHBondContact O-N 2.91Å; L483-F490 HydrophobicContact CD1-CE2 4.5Å; L483-F490 HydrophobicContact CD1-CZ 4.14Å; L483-F490 HydrophobicContact CD2-CZ 4.38Å; L483-F490 HydrophobicContact CG-CE2 4.01Å; L483-F490 HydrophobicContact CG-CZ 4.02Å
484	N	58.8	Low	71.4	Confident	118 Å²	118	68.6 Å²	68.6	63%	0.631	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-61.1	-22.1	177	-67.3	-10.5	0	0	0	113	N482 L486 E487	N482-N484 PolarHBondContact O-N 2.75Å; N482-N484 VanDerWaalsContact O-N 3.12Å; N484-L486 VanDerWaalsContact C-N 3.27Å; N484-L486 PolarHBondContact O-N 2.96Å; N484-E487 WeakPolarHBondContact O-CG 3.25Å
485	N	68.8	Low	71.3	Confident	60 Å²	60	70.5 Å²	70.5	32%	0.321	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-78.2	-9.1	-177.9	-63.7	-18.8	0	0	0	112.8	N482 L483 C560 R565	N482-N485 WeakPolarHBondContact O-CB 3.25Å; N482-N485 PolarHBondContact O-N 3.24Å; L483-N485 PolarHBondContact O-N 3.03Å; L483-N485 VanDerWaalsContact O-N 3.16Å; N485-C560 PolarHBondContact O-SG 3.42Å; N485-C560 VanDerWaalsContact O-SG 3.34Å; N485-R565 PolarHBondContact O-NH1 3.05Å; N485-R565 PolarHBondContact O-NH2 3.32Å
486	L	78.7	Confident	71.5	Confident	4 Å²	4	71.2 Å²	71.2	2%	0.021	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-107.1	11.3	-179.5	-70.5	170.4	0	0	0	113.6	V474 L483 N484 E488 Y489 F490 V590	V474-L486 HydrophobicContact CG1-CB 4.38Å; V474-L486 HydrophobicContact CG1-CD1 3.9Å; L483-L486 PolarHBondContact O-N 2.91Å; N484-L486 VanDerWaalsContact C-N 3.27Å; N484-L486 PolarHBondContact O-N 2.96Å; L486-E488 PolarHBondContact O-N 2.96Å; L486-E488 VanDerWaalsContact O-N 3.11Å; L486-Y489 HydrophobicContact CD2-CD2 3.83Å; L486-Y489 HydrophobicContact CD2-CE2 4.21Å; L486-Y489 PolarHBondContact O-N 3.46Å; L486-F490 HydrophobicContact CB-CD2 3.95Å; L486-F490 HydrophobicContact CB-CE2 3.67Å; L486-F490 VanDerWaalsContact O-CD2 3.23Å; L486-F490 WeakPolarHBondContact O-CD2 3.3Å; L486-F490 PolarHBondContact O-N 3.23Å; L486-V590 HydrophobicContact CD2-CG1 4.16Å
487	E	76.8	Confident	72.3	Confident	100 Å²	100	75.8 Å²	75.8	47%	0.467	39%	0.392	S	S	.	.	H	α-helix	trans	-51.7	-35.9	-177.5	-79.1	179.2	-170.1	0	0	114	N484 Y489 F490	N484-E487 WeakPolarHBondContact O-CG 3.25Å; E487-Y489 VanDerWaalsContact C-N 3.31Å; E487-Y489 PolarHBondContact O-N 3.19Å; E487-F490 PolarHBondContact O-N 2.92Å
488	E	81.9	Confident	73.3	Confident	57 Å²	57	77.7 Å²	77.7	27%	0.266	39%	0.392	S	S	.	.	H	α-helix	trans	-67.4	-31.9	-178.6	-66.2	-176.2	173.8	0	0	112.3	L486 Y492 P524	L486-E488 PolarHBondContact O-N 2.96Å; L486-E488 VanDerWaalsContact O-N 3.11Å; E488-Y492 WeakPolarHBondContact O-CD2 3.46Å; E488-P524 HydrophobicContact CB-CG 4.31Å; E488-P524 WeakPolarHBondContact OE2-CG 3.25Å
489	Y	88.4	Confident	74.6	Confident	4 Å²	4	74.5 Å²	74.5	2%	0.016	37%	0.369	C	S	.	.	H	α-helix	trans	-86.9	-32.3	176.7	-56.3	-84.8	0	0	0	112.5	L472 L486 E487 K491 Y492 S493 L523 P524 E555 V590	L472-Y489 HydrophobicContact CD1-CD1 4.04Å; L486-Y489 HydrophobicContact CD2-CD2 3.83Å; L486-Y489 HydrophobicContact CD2-CE2 4.21Å; L486-Y489 PolarHBondContact O-N 3.46Å; E487-Y489 VanDerWaalsContact C-N 3.31Å; E487-Y489 PolarHBondContact O-N 3.19Å; Y489-K491 PolarHBondContact O-N 3.47Å; Y489-K491 VanDerWaalsContact O-N 3.14Å; Y489-Y492 PolarHBondContact O-N 2.63Å; Y489-S493 PolarHBondContact O-N 3.32Å; Y489-L523 HydrophobicContact CD1-CD2 4.06Å; Y489-L523 HydrophobicContact CE1-CD2 4.37Å; Y489-P524 HydrophobicContact CE2-CG 4.42Å; Y489-E555 WeakPolarHBondContact CE2-OE1 3.16Å; Y489-E555 PolarHBondContact OH-OE1 3.08Å; Y489-V590 HydrophobicContact CD1-CG1 4.47Å; Y489-V590 HydrophobicContact CD1-CG2 4.29Å; Y489-V590 HydrophobicContact CD2-CG1 4.48Å; Y489-V590 HydrophobicContact CE1-CG1 4.45Å; Y489-V590 HydrophobicContact CE1-CG2 4.44Å; Y489-V590 HydrophobicContact CE2-CG1 4.48Å; Y489-V590 HydrophobicContact CG-CG1 4.47Å
490	F	85.5	Confident	76.4	Confident	52 Å²	52	75.9 Å²	75.9	23%	0.228	37%	0.365	C	S	.	.	H	α-helix	trans	-57.4	-31.4	-179.1	-87.1	-60.9	0	0	0	113.5	V474 F476 L483 L486 E487 Y492 S493	V474-F490 HydrophobicContact CB-CD1 4.04Å; V474-F490 HydrophobicContact CB-CE1 3.85Å; V474-F490 HydrophobicContact CB-CZ 4.4Å; V474-F490 HydrophobicContact CG1-CD1 4.09Å; V474-F490 HydrophobicContact CG1-CE1 3.54Å; V474-F490 HydrophobicContact CG1-CE2 4.17Å; V474-F490 HydrophobicContact CG1-CZ 3.59Å; F476-F490 HydrophobicContact CD2-CE1 4.04Å; F476-F490 HydrophobicContact CD2-CZ 4.13Å; L483-F490 HydrophobicContact CD1-CE2 4.5Å; L483-F490 HydrophobicContact CD1-CZ 4.14Å; L483-F490 HydrophobicContact CD2-CZ 4.38Å; L483-F490 HydrophobicContact CG-CE2 4.01Å; L483-F490 HydrophobicContact CG-CZ 4.02Å; L486-F490 HydrophobicContact CB-CD2 3.95Å; L486-F490 HydrophobicContact CB-CE2 3.67Å; L486-F490 VanDerWaalsContact O-CD2 3.23Å; L486-F490 WeakPolarHBondContact O-CD2 3.3Å; L486-F490 PolarHBondContact O-N 3.23Å; E487-F490 PolarHBondContact O-N 2.92Å; F490-Y492 PolarHBondContact O-N 3.01Å; F490-S493 WeakPolarHBondContact O-CB 3.25Å; F490-S493 PolarHBondContact O-N 2.93Å
491	K	85.1	Confident	77.9	Confident	154 Å²	154	77.6 Å²	77.6	67%	0.67	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.6	176.1	-65.8	174.5	-174.5	173.8	0	113.2	Y489	Y489-K491 PolarHBondContact O-N 3.47Å; Y489-K491 VanDerWaalsContact O-N 3.14Å
492	Y	88.9	Confident	79.6	Confident	72 Å²	72	76.2 Å²	76.2	28%	0.282	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	2.5	-176.6	-51.4	-69.2	0	0	0	112.6	E488 Y489 F490 R494 L523	E488-Y492 WeakPolarHBondContact O-CD2 3.46Å; Y489-Y492 PolarHBondContact O-N 2.63Å; F490-Y492 PolarHBondContact O-N 3.01Å; Y492-R494 PolarHBondContact O-N 2.99Å; Y492-L523 HydrophobicContact CD2-CD2 3.91Å; Y492-L523 HydrophobicContact CE2-CD2 4.26Å
493	S	90.9	Very high	81.2	Confident	17 Å²	17	75.2 Å²	75.2	12%	0.119	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-70.7	123.7	-175.3	-176.4	0	0	0	0	112.4	L472 V474 Y489 F490	L472-S493 CarbonylContact O-C 3.46Å; L472-S493 WeakPolarHBondContact O-CA 3.36Å; V474-S493 PolarHBondContact N-OG 2.95Å; Y489-S493 PolarHBondContact O-N 3.32Å; F490-S493 WeakPolarHBondContact O-CB 3.25Å; F490-S493 PolarHBondContact O-N 2.93Å
494	R	89.8	Confident	82.6	Confident	53 Å²	53	76.6 Å²	76.6	20%	0.2	37%	0.373	C	S	.	.			trans	-109.2	67.8	-179	-167.4	-179.4	171.7	-98.4	4.7	111.5	L472 Y492 L496 R505 L508	L472-R494 PolarHBondContact O-N 3.36Å; Y492-R494 PolarHBondContact O-N 2.99Å; R494-L496 HydrophobicContact CG-CD2 4.41Å; R494-L496 PolarHBondContact O-N 3.46Å; R494-R505 PolarHBondContact NE-O 2.99Å; R494-R505 VanDerWaalsContact NE-O 3.12Å; R494-L508 HydrophobicContact CB-CB 3.98Å; R494-L508 HydrophobicContact CG-CB 3.92Å
495	D	87.6	Confident	84	Confident	41 Å²	41	74.1 Å²	74.1	22%	0.219	36%	0.355	C	S	.	.			trans	-86.2	105.2	169.4	-179.1	-7.6	0	0	0	110.7	K497 R498 Q499	D495-K497 PolarHBondContact O-N 3.19Å; D495-K497 WeakPolarHBondContact OD1-CA 3.49Å; D495-K497 VanDerWaalsContact OD1-CB 3.27Å; D495-K497 WeakPolarHBondContact OD1-CB 3.11Å; D495-K497 PolarHBondContact OD1-N 3.09Å; D495-R498 HydrophobicContact CB-CB 4.29Å; D495-R498 PolarHBondContact O-N 3.34Å; D495-R498 VanDerWaalsContact O-N 3.11Å; D495-R498 WeakPolarHBondContact OD2-CD 3.48Å; D495-R498 VanDerWaalsContact OD2-CG 3.23Å; D495-R498 WeakPolarHBondContact OD2-CG 3.44Å; D495-Q499 WeakPolarHBondContact O-CB 3.33Å; D495-Q499 PolarHBondContact O-N 3.12Å
496	L	85.9	Confident	84.8	Confident	79 Å²	79	77 Å²	77	41%	0.414	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.5	-179.5	-62.9	-177.7	0	0	0	113.6	R494 R505	R494-L496 HydrophobicContact CG-CD2 4.41Å; R494-L496 PolarHBondContact O-N 3.46Å; L496-R505 HydrophobicContact CD2-CB 4.37Å; L496-R505 HydrophobicContact CD2-CG 3.75Å; L496-R505 PolarHBondContact O-NH2 3.27Å
497	K	84.3	Confident	85.2	Confident	183 Å²	183	82 Å²	82	80%	0.796	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-33.9	176.3	-61.3	178.6	179.1	174.7	0	110.9	D495 Q500	D495-K497 PolarHBondContact O-N 3.19Å; D495-K497 WeakPolarHBondContact OD1-CA 3.49Å; D495-K497 VanDerWaalsContact OD1-CB 3.27Å; D495-K497 WeakPolarHBondContact OD1-CB 3.11Å; D495-K497 PolarHBondContact OD1-N 3.09Å; K497-Q500 PolarHBondContact O-NE2 2.89Å
498	R	80.1	Confident	86	Confident	126 Å²	126	78.4 Å²	78.4	48%	0.475	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-45.3	-177.1	-66.2	177.5	71	-157.1	6.8	113	F476 D495 Q500	F476-R498 VanDerWaalsContact CB-NH1 3.29Å; F476-R498 VanDerWaalsContact CG-NH1 3.3Å; D495-R498 HydrophobicContact CB-CB 4.29Å; D495-R498 PolarHBondContact O-N 3.34Å; D495-R498 VanDerWaalsContact O-N 3.11Å; D495-R498 WeakPolarHBondContact OD2-CD 3.48Å; D495-R498 VanDerWaalsContact OD2-CG 3.23Å; D495-R498 WeakPolarHBondContact OD2-CG 3.44Å; R498-Q500 PolarHBondContact O-N 3.28Å
499	Q	79.8	Confident	86.6	Confident	58 Å²	58	77.4 Å²	77.4	27%	0.271	37%	0.372	S	S	.	.			trans	-79.6	105.2	178.7	-176.7	62.3	-72.5	0	0	108.4	D495 M504 R505 L508	D495-Q499 WeakPolarHBondContact O-CB 3.33Å; D495-Q499 PolarHBondContact O-N 3.12Å; Q499-M504 HydrophobicContact CG-CB 4.01Å; Q499-M504 VanDerWaalsContact NE2-CB 3.27Å; Q499-R505 HydrophobicContact CG-CG 4.02Å; Q499-R505 PolarHBondContact O-NE 3Å; Q499-R505 PolarHBondContact O-NH2 3.46Å; Q499-L508 HydrophobicContact CG-CD1 4.31Å
500	Q	82.3	Confident	87	Confident	126 Å²	126	79.5 Å²	79.5	59%	0.589	38%	0.381	S	S	*	.			trans	-95	-16.6	-179.1	-64.3	-61.8	-23.5	0	0	113.2	K497 R498 S502	K497-Q500 PolarHBondContact O-NE2 2.89Å; R498-Q500 PolarHBondContact O-N 3.28Å; Q500-S502 PolarHBondContact O-N 2.72Å
501	D	85.6	Confident	87.3	Confident	81 Å²	81	80.5 Å²	80.5	43%	0.433	39%	0.386	S	S	.	.			trans	-74.1	120.9	179.5	-175.5	-91.2	0	0	0	111.5	S503 M504 R505	D501-S503 VanDerWaalsContact C-N 3.32Å; D501-S503 PolarHBondContact O-N 3.09Å; D501-S503 WeakPolarHBondContact OD1-CA 3.39Å; D501-S503 VanDerWaalsContact OD1-CB 3.28Å; D501-S503 WeakPolarHBondContact OD1-CB 3.44Å; D501-S503 PolarHBondContact OD1-N 3.39Å; D501-M504 HydrophobicContact CB-CB 4.06Å; D501-M504 HydrophobicContact CB-CG 3.9Å; D501-M504 PolarHBondContact O-N 3.11Å; D501-M504 WeakPolarHBondContact OD1-CG 3.49Å; D501-M504 PolarHBondContact OD1-N 3.14Å; D501-R505 VanDerWaalsContact O-CG 3.3Å; D501-R505 WeakPolarHBondContact O-CG 3.08Å; D501-R505 PolarHBondContact O-N 3.19Å
502	S	84.1	Confident	87.8	Confident	89 Å²	89	75.2 Å²	75.2	62%	0.622	37%	0.366	S	S	*	.	H	α-helix	trans	-66.4	-31.9	-176.6	-169.5	0	0	0	0	113.1	Q500 M506	Q500-S502 PolarHBondContact O-N 2.72Å; S502-M506 PolarHBondContact O-N 3.16Å
503	S	86.4	Confident	88.2	Confident	65 Å²	65	73.9 Å²	73.9	46%	0.455	36%	0.362	S	S	.	.	H	α-helix	trans	-71.5	-45	179.3	-176.4	0	0	0	0	110.2	D501 R505 M506 Q507	D501-S503 VanDerWaalsContact C-N 3.32Å; D501-S503 PolarHBondContact O-N 3.09Å; D501-S503 WeakPolarHBondContact OD1-CA 3.39Å; D501-S503 VanDerWaalsContact OD1-CB 3.28Å; D501-S503 WeakPolarHBondContact OD1-CB 3.44Å; D501-S503 PolarHBondContact OD1-N 3.39Å; S503-R505 PolarHBondContact O-N 3.22Å; S503-M506 WeakPolarHBondContact O-CB 3.37Å; S503-M506 PolarHBondContact O-N 2.87Å; S503-Q507 WeakPolarHBondContact O-CG 3.18Å; S503-Q507 PolarHBondContact O-N 3.33Å
504	M	84.6	Confident	88.4	Confident	70 Å²	70	77.9 Å²	77.9	35%	0.345	38%	0.379	S	S	.	.	H	α-helix	trans	-61.6	-42.1	174.4	-65.1	-74	99.2	0	0	111.8	Q499 D501 M506 Q507 L508	Q499-M504 HydrophobicContact CG-CB 4.01Å; Q499-M504 VanDerWaalsContact NE2-CB 3.27Å; D501-M504 HydrophobicContact CB-CB 4.06Å; D501-M504 HydrophobicContact CB-CG 3.9Å; D501-M504 PolarHBondContact O-N 3.11Å; D501-M504 WeakPolarHBondContact OD1-CG 3.49Å; D501-M504 PolarHBondContact OD1-N 3.14Å; M504-M506 PolarHBondContact O-N 2.87Å; M504-Q507 PolarHBondContact O-N 3.3Å; M504-L508 WeakPolarHBondContact O-CB 3.24Å; M504-L508 VanDerWaalsContact O-CG 3.24Å; M504-L508 WeakPolarHBondContact O-CG 3.27Å; M504-L508 PolarHBondContact O-N 2.96Å
505	R	87.7	Confident	88.7	Confident	65 Å²	65	79 Å²	79	25%	0.245	39%	0.389	C	S	.	.	H	α-helix	trans	-57.4	-37.3	175.3	-76.7	176	175.4	165.5	3.7	112.9	R494 L496 Q499 D501 S503	R494-R505 PolarHBondContact NE-O 2.99Å; R494-R505 VanDerWaalsContact NE-O 3.12Å; L496-R505 HydrophobicContact CD2-CB 4.37Å; L496-R505 HydrophobicContact CD2-CG 3.75Å; L496-R505 PolarHBondContact O-NH2 3.27Å; Q499-R505 HydrophobicContact CG-CG 4.02Å; Q499-R505 PolarHBondContact O-NE 3Å; Q499-R505 PolarHBondContact O-NH2 3.46Å; D501-R505 VanDerWaalsContact O-CG 3.3Å; D501-R505 WeakPolarHBondContact O-CG 3.08Å; D501-R505 PolarHBondContact O-N 3.19Å; S503-R505 PolarHBondContact O-N 3.22Å
506	M	85.9	Confident	89.1	Confident	121 Å²	121	77.1 Å²	77.1	60%	0.596	38%	0.379	S	S	*	.	H	α-helix	trans	-72.9	-44.1	176.5	-170.1	65.4	74.3	0	0	111.1	S502 S503 M504 L508 L509	S502-M506 PolarHBondContact O-N 3.16Å; S503-M506 WeakPolarHBondContact O-CB 3.37Å; S503-M506 PolarHBondContact O-N 2.87Å; M504-M506 PolarHBondContact O-N 2.87Å; M506-L508 VanDerWaalsContact C-N 3.34Å; M506-L508 PolarHBondContact O-N 3.36Å; M506-L509 PolarHBondContact O-N 2.88Å; M506-L509 VanDerWaalsContact O-O 3.06Å
507	Q	88.7	Confident	89.6	Confident	110 Å²	110	73.4 Å²	73.4	51%	0.514	36%	0.359	S	S	.	.	H	α-helix	trans	-66.9	-31.4	-179.9	-71.8	178.4	8.7	0	0	114.1	S503 M504 L509 K510	S503-Q507 WeakPolarHBondContact O-CG 3.18Å; S503-Q507 PolarHBondContact O-N 3.33Å; M504-Q507 PolarHBondContact O-N 3.3Å; Q507-L509 VanDerWaalsContact C-N 3.31Å; Q507-K510 PolarHBondContact O-NZ 2.61Å
508	L	92.1	Very high	90.1	Very high	24 Å²	24	68.8 Å²	68.8	13%	0.126	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-17.5	178.6	-69.3	167.9	0	0	0	112.7	R494 Q499 M504 M506	R494-L508 HydrophobicContact CB-CB 3.98Å; R494-L508 HydrophobicContact CG-CB 3.92Å; Q499-L508 HydrophobicContact CG-CD1 4.31Å; M504-L508 WeakPolarHBondContact O-CB 3.24Å; M504-L508 VanDerWaalsContact O-CG 3.24Å; M504-L508 WeakPolarHBondContact O-CG 3.27Å; M504-L508 PolarHBondContact O-N 2.96Å; M506-L508 VanDerWaalsContact C-N 3.34Å; M506-L508 PolarHBondContact O-N 3.36Å
509	L	95.4	Very high	90.7	Very high	36 Å²	36	63.6 Å²	63.6	19%	0.188	33%	0.326	C	S	.	.	S	Bend	trans	-87.1	122.8	170	-173.5	61.9	0	0	0	108.4	C469 M506 Q507 H511	C469-L509 HydrophobicContact CB-CD1 4.38Å; M506-L509 PolarHBondContact O-N 2.88Å; M506-L509 VanDerWaalsContact O-O 3.06Å; Q507-L509 VanDerWaalsContact C-N 3.31Å; L509-H511 VanDerWaalsContact CD2-CE1 3.47Å; L509-H511 WeakPolarHBondContact CD2-CE1 3.4Å; L509-H511 VanDerWaalsContact CD2-NE2 3.33Å; L509-H511 WeakPolarHBondContact CD2-NE2 3.24Å
510	K	96.2	Very high	91.4	Very high	47 Å²	47	60.9 Å²	60.9	20%	0.204	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	130.5	179.1	-50.7	-55.8	178.4	-170.3	0	109	C469 F470 Q507 D515 I516 S519	C469-K510 CarbonylContact C-O 3.27Å; C469-K510 VanDerWaalsContact CA-O 3.26Å; C469-K510 WeakPolarHBondContact CA-O 3.47Å; F470-K510 HydrophobicContact CB-CB 4.21Å; F470-K510 HydrophobicContact CD1-CB 4.39Å; F470-K510 HydrophobicContact CD1-CG 4.01Å; F470-K510 PolarHBondContact N-O 2.77Å; F470-K510 PolarHBondContact O-N 3.45Å; Q507-K510 PolarHBondContact O-NZ 2.61Å; K510-D515 HydrophobicContact CB-CB 4.25Å; K510-I516 HydrophobicContact CB-CG1 4.2Å; K510-S519 WeakPolarHBondContact CD-OG 3.31Å; K510-S519 VanDerWaalsContact CE-OG 3.29Å; K510-S519 WeakPolarHBondContact CE-OG 3.02Å; K510-S519 WeakPolarHBondContact CG-OG 3.35Å
511	H	92.9	Very high	91.9	Very high	74 Å²	74	57.2 Å²	57.2	34%	0.343	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135.6	-178.8	-71.4	-73.1	0	0	0	108.6	C469 L509 D515	C469-H511 PolarHBondContact SG-ND1 2.75Å; L509-H511 VanDerWaalsContact CD2-CE1 3.47Å; L509-H511 WeakPolarHBondContact CD2-CE1 3.4Å; L509-H511 VanDerWaalsContact CD2-NE2 3.33Å; L509-H511 WeakPolarHBondContact CD2-NE2 3.24Å; H511-D515 VanDerWaalsContact O-CB 3.25Å; H511-D515 WeakPolarHBondContact O-CB 3.28Å; H511-D515 VanDerWaalsContact O-CG 3.28Å
512	T	95.4	Very high	92.2	Very high	42 Å²	42	58.8 Å²	58.8	26%	0.258	31%	0.31	S	S	.	.	S	Bend	trans	81	144.5	-173	83.3	0	0	0	0	115.2	D466 A468 H514 D515 I516	D466-T512 WeakPolarHBondContact O-CA 3.4Å; D466-T512 WeakPolarHBondContact O-CB 3.42Å; A468-T512 PolarHBondContact O-N 2.99Å; T512-H514 PolarHBondContact O-N 3.49Å; T512-H514 VanDerWaalsContact O-N 3.14Å; T512-D515 PolarHBondContact O-N 2.92Å; T512-I516 VanDerWaalsContact O-CG1 3.25Å; T512-I516 WeakPolarHBondContact O-CG1 3.36Å; T512-I516 PolarHBondContact O-N 3.12Å; T512-I516 VanDerWaalsContact O-N 3.11Å
513	K	96.1	Very high	92.5	Very high	44 Å²	44	55 Å²	55	19%	0.191	28%	0.283	C	S	.	.	H	α-helix	trans	-54.3	-34.1	179.7	66.3	-175.6	-172	-164.1	0	114.3	L461 D466 V517	L461-K513 HydrophobicContact CD2-CB 4.34Å; L461-K513 HydrophobicContact CD2-CD 4.43Å; L461-K513 HydrophobicContact CD2-CG 4.03Å; D466-K513 VanDerWaalsContact OD1-CD 3.26Å; D466-K513 WeakPolarHBondContact OD1-CD 3.29Å; D466-K513 WeakPolarHBondContact OD1-CE 3.42Å; D466-K513 IonicContact OD1-NZ 2.89Å; D466-K513 PolarHBondContact OD1-NZ 3.27Å; K513-V517 WeakPolarHBondContact O-CB 3.46Å; K513-V517 VanDerWaalsContact O-CG2 3.3Å; K513-V517 WeakPolarHBondContact O-CG2 3.47Å; K513-V517 PolarHBondContact O-N 3.16Å
514	H	95.8	Very high	92.7	Very high	101 Å²	101	52.6 Å²	52.6	47%	0.468	27%	0.265	S	S	.	.	H	α-helix	trans	-70.2	-45.5	-179.7	-63.9	93.9	0	0	0	111.5	T512 I516 V517 N518	T512-H514 PolarHBondContact O-N 3.49Å; T512-H514 VanDerWaalsContact O-N 3.14Å; H514-I516 VanDerWaalsContact C-N 3.27Å; H514-I516 PolarHBondContact O-N 3.42Å; H514-V517 PolarHBondContact O-N 3.41Å; H514-N518 VanDerWaalsContact O-CB 3.24Å; H514-N518 WeakPolarHBondContact O-CB 3.22Å; H514-N518 PolarHBondContact O-N 3.26Å; H514-N518 PolarHBondContact O-ND2 3.09Å; H514-N518 VanDerWaalsContact O-ND2 3.16Å
515	D	95.3	Very high	93.1	Very high	78 Å²	78	53.7 Å²	53.7	42%	0.417	27%	0.268	S	S	.	.	H	α-helix	trans	-64.3	-36.5	177.3	-71.9	-5.1	0	0	0	111.6	K510 H511 T512 S519	K510-D515 HydrophobicContact CB-CB 4.25Å; H511-D515 VanDerWaalsContact O-CB 3.25Å; H511-D515 WeakPolarHBondContact O-CB 3.28Å; H511-D515 VanDerWaalsContact O-CG 3.28Å; T512-D515 PolarHBondContact O-N 2.92Å; D515-S519 VanDerWaalsContact O-CB 3.25Å; D515-S519 WeakPolarHBondContact O-CB 3.32Å; D515-S519 PolarHBondContact O-N 3.4Å; D515-S519 PolarHBondContact O-OG 3.13Å
516	I	96.6	Very high	93.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-58.1	175.1	-61.2	174.8	0	0	0	109.8	Y464 A468 F470 K510 T512 H514 N518 S519 L520	Y464-I516 HydrophobicContact CD1-CD1 3.67Å; Y464-I516 HydrophobicContact CD1-CG2 4.1Å; Y464-I516 HydrophobicContact CD2-CG2 4.47Å; Y464-I516 HydrophobicContact CE1-CD1 4.04Å; Y464-I516 HydrophobicContact CE1-CG2 3.7Å; Y464-I516 HydrophobicContact CE2-CG2 4.14Å; Y464-I516 HydrophobicContact CG-CD1 4.36Å; Y464-I516 HydrophobicContact CG-CG2 4.48Å; A468-I516 HydrophobicContact CB-CD1 3.52Å; F470-I516 HydrophobicContact CB-CB 4.14Å; F470-I516 HydrophobicContact CB-CD1 3.98Å; F470-I516 HydrophobicContact CB-CG1 3.58Å; F470-I516 HydrophobicContact CB-CG2 3.71Å; F470-I516 HydrophobicContact CG-CG2 4.07Å; K510-I516 HydrophobicContact CB-CG1 4.2Å; T512-I516 VanDerWaalsContact O-CG1 3.25Å; T512-I516 WeakPolarHBondContact O-CG1 3.36Å; T512-I516 PolarHBondContact O-N 3.12Å; T512-I516 VanDerWaalsContact O-N 3.11Å; H514-I516 VanDerWaalsContact C-N 3.27Å; H514-I516 PolarHBondContact O-N 3.42Å; I516-N518 VanDerWaalsContact C-N 3.33Å; I516-N518 PolarHBondContact O-N 3.39Å; I516-S519 CarbonylContact O-C 3.56Å; I516-S519 WeakPolarHBondContact O-CA 3.44Å; I516-S519 WeakPolarHBondContact O-CB 3.47Å; I516-S519 PolarHBondContact O-N 3.2Å; I516-L520 HydrophobicContact CG2-CD1 3.93Å; I516-L520 HydrophobicContact CG2-CG 4.25Å; I516-L520 WeakPolarHBondContact O-CG 3.35Å; I516-L520 PolarHBondContact O-N 3.11Å
517	V	95.9	Very high	93.6	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-63.4	-39.9	-175.6	173.2	0	0	0	0	111.4	R457 L458 L460 L461 Y464 K513 H514 S519 L520 S521	R457-V517 WeakPolarHBondContact O-CG1 3.15Å; L458-V517 HydrophobicContact CD2-CG1 4.14Å; L460-V517 HydrophobicContact CB-CG2 4.09Å; L461-V517 HydrophobicContact CD2-CB 4.01Å; L461-V517 HydrophobicContact CD2-CG1 4.46Å; L461-V517 HydrophobicContact CD2-CG2 3.83Å; L461-V517 HydrophobicContact CG-CB 4.33Å; L461-V517 HydrophobicContact CG-CG1 4.3Å; L461-V517 HydrophobicContact CG-CG2 4.05Å; Y464-V517 HydrophobicContact CD2-CG2 4.31Å; K513-V517 WeakPolarHBondContact O-CB 3.46Å; K513-V517 VanDerWaalsContact O-CG2 3.3Å; K513-V517 WeakPolarHBondContact O-CG2 3.47Å; K513-V517 PolarHBondContact O-N 3.16Å; H514-V517 PolarHBondContact O-N 3.41Å; V517-S519 VanDerWaalsContact C-N 3.32Å; V517-S519 PolarHBondContact O-N 2.99Å; V517-L520 PolarHBondContact O-N 2.68Å; V517-S521 WeakPolarHBondContact O-CB 3.46Å; V517-S521 PolarHBondContact O-N 2.89Å; V517-S521 PolarHBondContact O-OG 3.23Å; V517-S521 VanDerWaalsContact O-OG 3.09Å
518	N	94.4	Very high	93.9	Very high	87 Å²	87	45.4 Å²	45.4	47%	0.465	23%	0.231	S	C	.	.	H	α-helix	trans	-59.5	-43.2	172.5	-72.5	-23.5	0	0	0	111.7	H514 I516 S521 L522	H514-N518 VanDerWaalsContact O-CB 3.24Å; H514-N518 WeakPolarHBondContact O-CB 3.22Å; H514-N518 PolarHBondContact O-N 3.26Å; H514-N518 PolarHBondContact O-ND2 3.09Å; H514-N518 VanDerWaalsContact O-ND2 3.16Å; I516-N518 VanDerWaalsContact C-N 3.33Å; I516-N518 PolarHBondContact O-N 3.39Å; N518-S521 PolarHBondContact O-N 3.09Å; N518-L522 WeakPolarHBondContact O-CG 3.17Å; N518-L522 PolarHBondContact O-N 3.08Å
519	S	93.9	Very high	93.7	Very high	17 Å²	17	44.8 Å²	44.8	12%	0.119	23%	0.228	C	C	.	.	H	α-helix	trans	-67.2	-39.6	177.7	-60	0	0	0	0	111.9	K510 D515 I516 V517 L522	K510-S519 WeakPolarHBondContact CD-OG 3.31Å; K510-S519 VanDerWaalsContact CE-OG 3.29Å; K510-S519 WeakPolarHBondContact CE-OG 3.02Å; K510-S519 WeakPolarHBondContact CG-OG 3.35Å; D515-S519 VanDerWaalsContact O-CB 3.25Å; D515-S519 WeakPolarHBondContact O-CB 3.32Å; D515-S519 PolarHBondContact O-N 3.4Å; D515-S519 PolarHBondContact O-OG 3.13Å; I516-S519 CarbonylContact O-C 3.56Å; I516-S519 WeakPolarHBondContact O-CA 3.44Å; I516-S519 WeakPolarHBondContact O-CB 3.47Å; I516-S519 PolarHBondContact O-N 3.2Å; V517-S519 VanDerWaalsContact C-N 3.32Å; V517-S519 PolarHBondContact O-N 2.99Å; S519-L522 PolarHBondContact O-N 3.35Å
520	L	94.8	Very high	93.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-42.6	173.6	-67.2	176.9	0	0	0	110.6	Y452 R457 L460 Y464 F470 I516 V517 L522 L523	Y452-L520 HydrophobicContact CE2-CD1 4.14Å; Y452-L520 HydrophobicContact CE2-CD2 4.03Å; Y452-L520 HydrophobicContact CE2-CG 4.47Å; R457-L520 PolarHBondContact NH1-O 2.98Å; L460-L520 HydrophobicContact CD1-CD1 4.12Å; Y464-L520 HydrophobicContact CE2-CD1 4.28Å; F470-L520 HydrophobicContact CE1-CD2 4.03Å; F470-L520 HydrophobicContact CE2-CD2 3.9Å; F470-L520 HydrophobicContact CZ-CD2 3.58Å; I516-L520 HydrophobicContact CG2-CD1 3.93Å; I516-L520 HydrophobicContact CG2-CG 4.25Å; I516-L520 WeakPolarHBondContact O-CG 3.35Å; I516-L520 PolarHBondContact O-N 3.11Å; V517-L520 PolarHBondContact O-N 2.68Å; L520-L522 PolarHBondContact O-N 3.26Å; L520-L523 HydrophobicContact CD2-CD1 4.04Å; L520-L523 WeakPolarHBondContact O-CB 3.46Å; L520-L523 PolarHBondContact O-N 3.42Å
521	S	92.1	Very high	92.4	Very high	50 Å²	50	43.8 Å²	43.8	35%	0.35	23%	0.227	S	C	.	.	H	α-helix	trans	-63.7	-21.1	177.3	-64.3	0	0	0	0	114.1	V517 N518	V517-S521 WeakPolarHBondContact O-CB 3.46Å; V517-S521 PolarHBondContact O-N 2.89Å; V517-S521 PolarHBondContact O-OG 3.23Å; V517-S521 VanDerWaalsContact O-OG 3.09Å; N518-S521 PolarHBondContact O-N 3.09Å
522	L	91.3	Very high	92	Very high	114 Å²	114	41.6 Å²	41.6	60%	0.597	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-16	173.4	-67.9	172.8	0	0	0	113.6	N518 S519 L520	N518-L522 WeakPolarHBondContact O-CG 3.17Å; N518-L522 PolarHBondContact O-N 3.08Å; S519-L522 PolarHBondContact O-N 3.35Å; L520-L522 PolarHBondContact O-N 3.26Å
523	L	91.8	Very high	91.6	Very high	10 Å²	10	39.6 Å²	39.6	5%	0.052	21%	0.208	C	C	.	.	S	Bend	trans	-76.8	153.6	176.1	-59.8	178	0	0	0	110.6	R457 L472 Y489 Y492 L520 L588	R457-L523 PolarHBondContact NH1-O 3.29Å; L472-L523 HydrophobicContact CD1-CD1 3.85Å; L472-L523 HydrophobicContact CD1-CD2 4Å; Y489-L523 HydrophobicContact CD1-CD2 4.06Å; Y489-L523 HydrophobicContact CE1-CD2 4.37Å; Y492-L523 HydrophobicContact CD2-CD2 3.91Å; Y492-L523 HydrophobicContact CE2-CD2 4.26Å; L520-L523 HydrophobicContact CD2-CD1 4.04Å; L520-L523 WeakPolarHBondContact O-CB 3.46Å; L520-L523 PolarHBondContact O-N 3.42Å; L523-L588 HydrophobicContact CD1-CD2 4.37Å
524	P	90.8	Very high	91.2	Very high	14 Å²	14	41.7 Å²	41.7	9%	0.091	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-53.3	148.7	178.1	-27.8	38.6	0	0	0	112.1	R457 E488 Y489 E555	R457-P524 PolarHBondContact NH1-O 3.44Å; R457-P524 PolarHBondContact NH2-O 3.08Å; E488-P524 HydrophobicContact CB-CG 4.31Å; E488-P524 WeakPolarHBondContact OE2-CG 3.25Å; Y489-P524 HydrophobicContact CE2-CG 4.42Å; P524-E555 HydrophobicContact CB-CG 4.38Å
525	K	91.8	Very high	90.9	Very high	92 Å²	92	37.8 Å²	37.8	40%	0.4	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-66.8	141.3	171.7	-67.5	-166.1	-173.2	114.9	0	109.7	V556 E557	K525-V556 HydrophobicContact CB-CG2 3.36Å; K525-V556 WeakPolarHBondContact O-CG2 3.31Å; K525-V556 PolarHBondContact O-N 2.82Å; K525-E557 HydrophobicContact CB-CB 4.18Å; K525-E557 WeakPolarHBondContact CD-OE2 3.44Å; K525-E557 WeakPolarHBondContact CE-OE2 3.45Å; K525-E557 IonicContact NZ-OE2 2.67Å; K525-E557 PolarHBondContact NZ-OE2 2.75Å
526	T	93.7	Very high	90.6	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.031	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	162	-171.7	49.4	0	0	0	0	111.4	Y452 D453 R457 H528 F553 M554	Y452-T526 WeakPolarHBondContact CD1-OG1 3.19Å; Y452-T526 VanDerWaalsContact CE1-OG1 3.32Å; Y452-T526 WeakPolarHBondContact CE1-OG1 3.49Å; D453-T526 WeakPolarHBondContact CB-O 3.38Å; D453-T526 VanDerWaalsContact CG-O 3.23Å; D453-T526 VanDerWaalsContact OD1-C 3.26Å; D453-T526 WeakPolarHBondContact OD1-CB 3.36Å; D453-T526 PolarHBondContact OD1-OG1 2.88Å; R457-T526 PolarHBondContact NH2-OG1 3.41Å; T526-H528 PolarHBondContact OG1-CE1 3.21Å; T526-H528 VanDerWaalsContact OG1-CE1 3.26Å; T526-F553 HydrophobicContact CG2-CD2 3.47Å; T526-F553 VanDerWaalsContact CG2-CD2 3.47Å; T526-F553 HydrophobicContact CG2-CE2 3.57Å; T526-F553 HydrophobicContact CG2-CG 4.2Å; T526-F553 HydrophobicContact CG2-CZ 4.34Å; T526-M554 CarbonylContact C-O 3.51Å; T526-M554 VanDerWaalsContact CA-O 3.26Å; T526-M554 WeakPolarHBondContact CA-O 3.4Å
527	Q	91.9	Very high	90.1	Very high	99 Å²	99	37.9 Å²	37.9	46%	0.463	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	113	164.6	-179	178.3	-1.9	0	0	108	F553 M554 V556	Q527-F553 CarbonylContact O-C 3.6Å; Q527-F553 VanDerWaalsContact O-CA 3.3Å; Q527-F553 WeakPolarHBondContact O-CA 3.49Å; Q527-M554 PolarHBondContact N-O 2.96Å; Q527-M554 PolarHBondContact O-N 3.12Å; Q527-V556 HydrophobicContact CB-CG1 3.82Å
528	H	93.1	Very high	89.4	Confident	18 Å²	18	43.5 Å²	43.5	8%	0.083	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	139.7	-178.2	-68.6	74.2	0	0	0	111.4	Y449 Y452 D453 T526 L530 F533 F553 F567	Y449-H528 HydrophobicContact CD1-CB 4.05Å; Y449-H528 AromaticContact CD1-CD2 3.58Å; Y449-H528 AromaticContact CD1-CE1 3.67Å; Y449-H528 AromaticContact CD1-CG 3.4Å; Y449-H528 VanDerWaalsContact CD1-CG 3.4Å; Y449-H528 AromaticContact CD1-ND1 3.44Å; Y449-H528 WeakPolarHBondContact CD1-ND1 3.49Å; Y449-H528 AromaticContact CD1-NE2 3.78Å; Y449-H528 AromaticContact CE1-CD2 3.27Å; Y449-H528 WeakPolarHBondContact CE1-CD2 3.17Å; Y449-H528 AromaticContact CE1-CE1 3.54Å; Y449-H528 AromaticContact CE1-CG 3.63Å; Y449-H528 AromaticContact CE1-ND1 3.77Å; Y449-H528 AromaticContact CE1-NE2 3.24Å; Y449-H528 WeakPolarHBondContact CE1-NE2 3.39Å; Y452-H528 AromaticContact CD1-CE1 3.68Å; Y452-H528 AromaticContact CE1-CE1 3.81Å; D453-H528 VanDerWaalsContact CG-ND1 3.27Å; D453-H528 IonicContact OD1-CE1 2.79Å; D453-H528 PolarHBondContact OD1-CE1 3.18Å; D453-H528 IonicContact OD1-ND1 2.72Å; D453-H528 PolarHBondContact OD1-ND1 2.65Å; D453-H528 WeakPolarHBondContact OD2-CB 3.44Å; D453-H528 IonicContact OD2-CG 3.43Å; D453-H528 PolarHBondContact OD2-N 3.14Å; D453-H528 IonicContact OD2-ND1 2.95Å; D453-H528 PolarHBondContact OD2-ND1 3.02Å; T526-H528 PolarHBondContact OG1-CE1 3.21Å; T526-H528 VanDerWaalsContact OG1-CE1 3.26Å; H528-L530 PolarHBondContact O-N 3.32Å; H528-F533 HydrophobicContact CB-CE1 4Å; H528-F533 HydrophobicContact CB-CZ 3.86Å; H528-F553 HydrophobicContact CB-CB 4.36Å; H528-F553 VanDerWaalsContact CD2-CB 3.47Å; H528-F553 WeakPolarHBondContact CD2-CB 3.29Å; H528-F553 AromaticContact NE2-CD1 3.58Å; H528-F553 AromaticContact NE2-CG 3.79Å; H528-F567 AromaticContact CD2-CE1 3.55Å; H528-F567 AromaticContact CD2-CZ 3.95Å
529	D	87.9	Confident	88.9	Confident	11 Å²	11	42.9 Å²	42.9	6%	0.059	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	92.9	169.2	179.2	2.1	0	0	0	108.8	C531 S532 F533 L552 F602	D529-C531 PolarHBondContact O-N 3.12Å; D529-C531 WeakPolarHBondContact OD1-CB 3.49Å; D529-C531 PolarHBondContact OD1-N 2.77Å; D529-C531 VanDerWaalsContact OD1-N 3.13Å; D529-S532 WeakPolarHBondContact O-CB 3.21Å; D529-S532 PolarHBondContact O-N 2.82Å; D529-S532 PolarHBondContact O-OG 3.06Å; D529-S532 PolarHBondContact OD1-N 2.82Å; D529-F533 WeakPolarHBondContact O-CD1 3.19Å; D529-F533 WeakPolarHBondContact O-CE1 3.29Å; D529-L552 PolarHBondContact N-O 3Å; D529-F602 HydrophobicContact CB-CD1 3.97Å; D529-F602 HydrophobicContact CB-CE1 3.77Å; D529-F602 HydrophobicContact CB-CG 4.48Å; D529-F602 HydrophobicContact CB-CZ 4.1Å; D529-F602 PolarHBondContact OD2-N 2.88Å
530	L	85.1	Confident	88.4	Confident	26 Å²	26	46.6 Å²	46.6	14%	0.136	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	-26.6	-179.1	-66.7	-179.7	0	0	0	112.8	I421 P424 Y449 H528 S532 F533	I421-L530 HydrophobicContact CG2-CD1 3.64Å; P424-L530 WeakPolarHBondContact CA-O 3.49Å; P424-L530 HydrophobicContact CG-CB 4.29Å; Y449-L530 HydrophobicContact CG-CD2 4.42Å; H528-L530 PolarHBondContact O-N 3.32Å; L530-S532 VanDerWaalsContact C-N 3.28Å; L530-S532 PolarHBondContact O-N 2.79Å; L530-F533 HydrophobicContact CD2-CD2 4.07Å; L530-F533 HydrophobicContact CD2-CE1 4.33Å; L530-F533 HydrophobicContact CD2-CE2 3.52Å; L530-F533 HydrophobicContact CD2-CZ 3.68Å; L530-F533 WeakPolarHBondContact O-CB 3.28Å; L530-F533 PolarHBondContact O-N 3.27Å
531	C	79.9	Confident	88	Confident	36 Å²	36	48.8 Å²	48.8	24%	0.243	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	-19.8	178.6	-60.7	0	0	0	0	112.4	E422 D529 F533 S604	E422-C531 WeakPolarHBondContact CB-SG 3.35Å; E422-C531 PolarHBondContact OE2-SG 3.36Å; D529-C531 PolarHBondContact O-N 3.12Å; D529-C531 WeakPolarHBondContact OD1-CB 3.49Å; D529-C531 PolarHBondContact OD1-N 2.77Å; D529-C531 VanDerWaalsContact OD1-N 3.13Å; C531-F533 VanDerWaalsContact C-N 3.28Å; C531-S604 WeakPolarHBondContact CB-OG 3.24Å; C531-S604 PolarHBondContact SG-OG 2.66Å
532	S	84.7	Confident	87.4	Confident	29 Å²	29	55.3 Å²	55.3	20%	0.203	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-9.9	171.8	76.8	0	0	0	0	113.9	D529 L530 L534 L552	D529-S532 WeakPolarHBondContact O-CB 3.21Å; D529-S532 PolarHBondContact O-N 2.82Å; D529-S532 PolarHBondContact O-OG 3.06Å; D529-S532 PolarHBondContact OD1-N 2.82Å; L530-S532 VanDerWaalsContact C-N 3.28Å; L530-S532 PolarHBondContact O-N 2.79Å; S532-L534 PolarHBondContact O-N 3.22Å; S532-L552 PolarHBondContact OG-N 2.98Å
533	F	87.9	Confident	87.1	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	126.4	-172	-77.6	20.1	0	0	0	111.5	P424 Y449 H528 D529 L530 C531 V549 N550 F567	P424-F533 HydrophobicContact CB-CB 3.99Å; P424-F533 HydrophobicContact CG-CD2 4.47Å; Y449-F533 HydrophobicContact CD1-CZ 4.19Å; Y449-F533 AromaticContact CD2-CE2 3.45Å; Y449-F533 HydrophobicContact CD2-CE2 3.45Å; Y449-F533 VanDerWaalsContact CD2-CE2 3.45Å; Y449-F533 AromaticContact CD2-CZ 3.8Å; Y449-F533 HydrophobicContact CD2-CZ 3.8Å; Y449-F533 HydrophobicContact CE1-CZ 4.16Å; Y449-F533 AromaticContact CE2-CE2 3.45Å; Y449-F533 HydrophobicContact CE2-CE2 3.45Å; Y449-F533 VanDerWaalsContact CE2-CE2 3.45Å; Y449-F533 AromaticContact CE2-CZ 3.76Å; Y449-F533 HydrophobicContact CE2-CZ 3.76Å; Y449-F533 HydrophobicContact CG-CE2 4.07Å; Y449-F533 AromaticContact CG-CZ 4Å; Y449-F533 HydrophobicContact CG-CZ 4Å; Y449-F533 AromaticContact CZ-CZ 3.92Å; H528-F533 HydrophobicContact CB-CE1 4Å; H528-F533 HydrophobicContact CB-CZ 3.86Å; D529-F533 WeakPolarHBondContact O-CD1 3.19Å; D529-F533 WeakPolarHBondContact O-CE1 3.29Å; L530-F533 HydrophobicContact CD2-CD2 4.07Å; L530-F533 HydrophobicContact CD2-CE1 4.33Å; L530-F533 HydrophobicContact CD2-CE2 3.52Å; L530-F533 HydrophobicContact CD2-CZ 3.68Å; L530-F533 WeakPolarHBondContact O-CB 3.28Å; L530-F533 PolarHBondContact O-N 3.27Å; C531-F533 VanDerWaalsContact C-N 3.28Å; F533-V549 HydrophobicContact CB-CG1 4.36Å; F533-V549 HydrophobicContact CD2-CG1 3.54Å; F533-V549 HydrophobicContact CE2-CG1 3.9Å; F533-V549 HydrophobicContact CG-CG1 3.91Å; F533-N550 CarbonylContact C-O 3.53Å; F533-N550 VanDerWaalsContact CA-O 3.3Å; F533-N550 WeakPolarHBondContact CA-O 3.4Å; F533-F567 HydrophobicContact CD1-CE1 4.33Å; F533-F567 HydrophobicContact CD1-CZ 4.2Å; F533-F567 AromaticContact CE1-CE1 3.64Å; F533-F567 HydrophobicContact CE1-CE1 3.64Å; F533-F567 AromaticContact CE1-CZ 3.58Å; F533-F567 HydrophobicContact CE1-CZ 3.58Å; F533-F567 HydrophobicContact CE2-CZ 4.32Å; F533-F567 HydrophobicContact CZ-CE1 4.08Å; F533-F567 AromaticContact CZ-CZ 3.63Å; F533-F567 HydrophobicContact CZ-CZ 3.63Å
534	L	87.5	Confident	87	Confident	87 Å²	87	59.8 Å²	59.8	46%	0.455	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	112.5	168.1	-59.6	177.1	0	0	0	107.5	S532 N550	S532-L534 PolarHBondContact O-N 3.22Å; L534-N550 HydrophobicContact CB-CB 4.26Å; L534-N550 PolarHBondContact N-O 3.14Å; L534-N550 PolarHBondContact O-N 3.16Å
535	V	89.4	Confident	87	Confident	19 Å²	19	59.3 Å²	59.3	12%	0.115	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119.8	-176.6	-174.3	0	0	0	0	109.5	V441 L445 S548 V549	V441-V535 HydrophobicContact CG1-CG1 3.93Å; L445-V535 HydrophobicContact CD1-CB 4.48Å; L445-V535 HydrophobicContact CD1-CG1 4.13Å; L445-V535 HydrophobicContact CD1-CG2 3.48Å; L445-V535 VanDerWaalsContact CD1-CG2 3.48Å; V535-S548 WeakPolarHBondContact CA-O 3.4Å; V535-V549 HydrophobicContact CG2-CG1 4.48Å
536	D	87.6	Confident	87	Confident	54 Å²	54	55.1 Å²	55.1	29%	0.289	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114.9	177.2	-54.9	-48.9	0	0	0	109.4	C427 F547 S548	C427-D536 PolarHBondContact SG-OD1 3.45Å; D536-F547 CarbonylContact O-C 3.54Å; D536-F547 VanDerWaalsContact O-CA 3.22Å; D536-F547 WeakPolarHBondContact O-CA 3.32Å; D536-S548 PolarHBondContact N-O 3.03Å; D536-S548 PolarHBondContact O-N 3.32Å
537	L	87.4	Confident	87	Confident	27 Å²	27	54.9 Å²	54.9	14%	0.141	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	103.7	174.1	-178.9	77.9	0	0	0	109.1	T433 I437 H540 L545 F547	T433-L537 HydrophobicContact CG2-CD2 3.21Å; I437-L537 HydrophobicContact CG2-CD2 3.85Å; L537-H540 HydrophobicContact CD2-CB 4.47Å; L537-L545 HydrophobicContact CD1-CD2 4.17Å; L537-F547 HydrophobicContact CB-CB 4.47Å; L537-F547 HydrophobicContact CD1-CB 3.88Å; L537-F547 HydrophobicContact CD1-CD1 4.42Å
538	F	81.4	Confident	87.2	Confident	119 Å²	119	50.9 Å²	50.9	52%	0.522	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-14.7	-173.3	56.3	-96.9	0	0	0	114.1	C546 I570	F538-C546 HydrophobicContact CD2-CB 3.99Å; F538-C546 HydrophobicContact CE1-CB 4.43Å; F538-C546 HydrophobicContact CE2-CB 3.33Å; F538-C546 HydrophobicContact CZ-CB 3.6Å; F538-C546 PolarHBondContact N-O 2.7Å; F538-C546 VanDerWaalsContact N-O 3.15Å; F538-I570 HydrophobicContact CE1-CG2 4.32Å; F538-I570 HydrophobicContact CZ-CG2 3.94Å
539	L	83.8	Confident	87.3	Confident	73 Å²	73	50 Å²	50	38%	0.382	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	132.6	172.3	-171.8	62.1	0	0	0	111.7	T541 M544 C546	L539-T541 HydrophobicContact CD1-CG2 4.43Å; L539-M544 HydrophobicContact CD2-CE 3.39Å; L539-M544 HydrophobicContact CD2-SD 4.35Å; L539-M544 HydrophobicContact CG-CE 4.26Å; L539-C546 HydrophobicContact CB-CB 3.89Å; L539-C546 PolarHBondContact N-O 2.83Å; L539-C546 PolarHBondContact O-N 3.19Å
540	H	83.5	Confident	87.6	Confident	95 Å²	95	51.7 Å²	51.7	44%	0.44	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	129	172.4	164.3	-113.7	0	0	0	110	I437 L537 L545	I437-H540 WeakPolarHBondContact CD1-CE1 3.37Å; I437-H540 WeakPolarHBondContact CD1-ND1 3.35Å; I437-H540 VanDerWaalsContact CD1-NE2 3.34Å; I437-H540 WeakPolarHBondContact CD1-NE2 3.25Å; L537-H540 HydrophobicContact CD2-CB 4.47Å; H540-L545 HydrophobicContact CB-CD2 4.05Å; H540-L545 WeakPolarHBondContact CD2-CD2 3.39Å
541	T	84.6	Confident	87.9	Confident	46 Å²	46	50.8 Å²	50.8	28%	0.282	26%	0.262	S	S	.	.			trans	-140.7	168.7	174.2	67	0	0	0	0	109.1	L539 M543 M544	L539-T541 HydrophobicContact CD1-CG2 4.43Å; T541-M543 PolarHBondContact O-N 2.79Å; T541-M543 VanDerWaalsContact O-N 3.14Å; T541-M543 PolarHBondContact OG1-N 2.8Å; T541-M544 HydrophobicContact CG2-CE 4.29Å; T541-M544 PolarHBondContact N-O 3.04Å; T541-M544 PolarHBondContact O-N 3.05Å; T541-M544 VanDerWaalsContact O-O 3.09Å; T541-M544 WeakPolarHBondContact OG1-CG 3.49Å; T541-M544 PolarHBondContact OG1-N 3.46Å; T541-M544 PolarHBondContact OG1-O 3.11Å; T541-M544 VanDerWaalsContact OG1-O 3.13Å
542	E	80.6	Confident	88.6	Confident	187 Å²	187	49.6 Å²	49.6	87%	0.874	25%	0.253	S	S	*	.	S	Bend	trans	-59.8	-23.7	174.8	-64.3	-179.9	177.8	0	0	113.4	P575	E542-P575 WeakPolarHBondContact O-CG 3.06Å
543	M	84.3	Confident	89	Confident	151 Å²	151	48.5 Å²	48.5	74%	0.744	24%	0.244	S	C	*	.	S	Bend	trans	-102.5	-18.5	-175.9	-60.3	-171.2	-62.8	0	0	114	T541	T541-M543 PolarHBondContact O-N 2.79Å; T541-M543 VanDerWaalsContact O-N 3.14Å; T541-M543 PolarHBondContact OG1-N 2.8Å
544	M	89.4	Confident	89.1	Confident	67 Å²	67	51 Å²	51	33%	0.33	26%	0.257	S	S	.	.			trans	-159.5	152.7	-175.3	62	171.2	179.4	0	0	113.6	L539 T541 A573	L539-M544 HydrophobicContact CD2-CE 3.39Å; L539-M544 HydrophobicContact CD2-SD 4.35Å; L539-M544 HydrophobicContact CG-CE 4.26Å; T541-M544 HydrophobicContact CG2-CE 4.29Å; T541-M544 PolarHBondContact N-O 3.04Å; T541-M544 PolarHBondContact O-N 3.05Å; T541-M544 VanDerWaalsContact O-O 3.09Å; T541-M544 WeakPolarHBondContact OG1-CG 3.49Å; T541-M544 PolarHBondContact OG1-N 3.46Å; T541-M544 PolarHBondContact OG1-O 3.11Å; T541-M544 VanDerWaalsContact OG1-O 3.13Å; M544-A573 CarbonylContact C-O 3.58Å; M544-A573 VanDerWaalsContact CA-O 3.3Å; M544-A573 WeakPolarHBondContact CA-O 3.4Å
545	L	90.8	Very high	89.3	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.1	175	-73.5	161.7	0	0	0	108.5	I437 L440 L537 H540 I572 A573 I581	I437-L545 HydrophobicContact CG2-CD2 3.66Å; L440-L545 HydrophobicContact CD2-CD1 4.42Å; L537-L545 HydrophobicContact CD1-CD2 4.17Å; H540-L545 HydrophobicContact CB-CD2 4.05Å; H540-L545 WeakPolarHBondContact CD2-CD2 3.39Å; L545-I572 CarbonylContact O-C 3.54Å; L545-I572 WeakPolarHBondContact O-CA 3.33Å; L545-A573 PolarHBondContact N-O 3.18Å; L545-A573 PolarHBondContact O-N 2.98Å; L545-I581 HydrophobicContact CD1-CG2 3.64Å
546	C	93	Very high	89.2	Confident	5 Å²	5	48.5 Å²	48.5	3%	0.034	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120.1	173.5	-48	0	0	0	0	110.2	F538 L539 F571	F538-C546 HydrophobicContact CD2-CB 3.99Å; F538-C546 HydrophobicContact CE1-CB 4.43Å; F538-C546 HydrophobicContact CE2-CB 3.33Å; F538-C546 HydrophobicContact CZ-CB 3.6Å; F538-C546 PolarHBondContact N-O 2.7Å; F538-C546 VanDerWaalsContact N-O 3.15Å; L539-C546 HydrophobicContact CB-CB 3.89Å; L539-C546 PolarHBondContact N-O 2.83Å; L539-C546 PolarHBondContact O-N 3.19Å; C546-F571 WeakPolarHBondContact CA-O 3.34Å
547	F	93.3	Very high	88.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	148.3	179.6	55.4	-82	0	0	0	111	V441 F444 L445 D536 L537 V549 F571 A573 I581	V441-F547 HydrophobicContact CG1-CD1 4.37Å; V441-F547 HydrophobicContact CG1-CD2 3.75Å; V441-F547 HydrophobicContact CG1-CE1 4.49Å; V441-F547 HydrophobicContact CG1-CE2 3.87Å; V441-F547 HydrophobicContact CG1-CG 4.01Å; V441-F547 HydrophobicContact CG1-CZ 4.26Å; V441-F547 HydrophobicContact CG2-CD1 4.22Å; V441-F547 HydrophobicContact CG2-CE1 4.36Å; F444-F547 HydrophobicContact CD1-CE2 4.29Å; F444-F547 AromaticContact CD1-CZ 3.92Å; F444-F547 HydrophobicContact CD1-CZ 3.92Å; F444-F547 HydrophobicContact CE1-CE2 4.14Å; F444-F547 AromaticContact CE1-CZ 3.76Å; F444-F547 HydrophobicContact CE1-CZ 3.76Å; L445-F547 HydrophobicContact CD2-CE2 4.11Å; D536-F547 CarbonylContact O-C 3.54Å; D536-F547 VanDerWaalsContact O-CA 3.22Å; D536-F547 WeakPolarHBondContact O-CA 3.32Å; L537-F547 HydrophobicContact CB-CB 4.47Å; L537-F547 HydrophobicContact CD1-CB 3.88Å; L537-F547 HydrophobicContact CD1-CD1 4.42Å; F547-V549 HydrophobicContact CD2-CG2 4.04Å; F547-V549 HydrophobicContact CE2-CG2 4.28Å; F547-F571 HydrophobicContact CD1-CB 4.37Å; F547-F571 HydrophobicContact CD2-CB 4.24Å; F547-F571 HydrophobicContact CD2-CD2 4.03Å; F547-F571 HydrophobicContact CE1-CB 3.85Å; F547-F571 HydrophobicContact CE2-CB 3.72Å; F547-F571 AromaticContact CE2-CD2 3.35Å; F547-F571 HydrophobicContact CE2-CD2 3.35Å; F547-F571 HydrophobicContact CE2-CE2 4.23Å; F547-F571 AromaticContact CE2-CG 3.88Å; F547-F571 HydrophobicContact CE2-CG 3.88Å; F547-F571 HydrophobicContact CZ-CB 3.5Å; F547-F571 VanDerWaalsContact CZ-CB 3.5Å; F547-F571 AromaticContact CZ-CD2 3.87Å; F547-F571 HydrophobicContact CZ-CD2 3.87Å; F547-F571 AromaticContact CZ-CG 3.93Å; F547-F571 HydrophobicContact CZ-CG 3.93Å; F547-F571 PolarHBondContact N-O 3.32Å; F547-F571 PolarHBondContact O-N 3.4Å; F547-A573 HydrophobicContact CE1-CB 4.34Å; F547-I581 HydrophobicContact CE1-CD1 3.76Å; F547-I581 HydrophobicContact CZ-CD1 3.73Å
548	S	95.1	Very high	88.3	Confident	15 Å²	15	51.3 Å²	51.3	11%	0.105	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	143.3	171.9	52.7	0	0	0	0	110.4	V535 D536 R569	V535-S548 WeakPolarHBondContact CA-O 3.4Å; D536-S548 PolarHBondContact N-O 3.03Å; D536-S548 PolarHBondContact O-N 3.32Å; S548-R569 CarbonylContact C-O 3.43Å; S548-R569 WeakPolarHBondContact CA-O 3.48Å
549	V	95.9	Very high	88	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	114.9	176.9	-173.6	0	0	0	0	107.3	L445 F533 V535 F547 F567 T568 R569 F571	L445-V549 HydrophobicContact CD1-CG2 3.87Å; L445-V549 HydrophobicContact CD2-CG2 3.61Å; L445-V549 HydrophobicContact CG-CG2 4.4Å; F533-V549 HydrophobicContact CB-CG1 4.36Å; F533-V549 HydrophobicContact CD2-CG1 3.54Å; F533-V549 HydrophobicContact CE2-CG1 3.9Å; F533-V549 HydrophobicContact CG-CG1 3.91Å; V535-V549 HydrophobicContact CG2-CG1 4.48Å; F547-V549 HydrophobicContact CD2-CG2 4.04Å; F547-V549 HydrophobicContact CE2-CG2 4.28Å; V549-F567 HydrophobicContact CB-CE2 4.3Å; V549-F567 HydrophobicContact CG1-CE2 4.03Å; V549-F567 HydrophobicContact CG1-CZ 3.98Å; V549-T568 CarbonylContact O-C 3Å; V549-T568 WeakPolarHBondContact O-CA 3.35Å; V549-R569 PolarHBondContact N-O 2.91Å; V549-R569 PolarHBondContact O-N 3.18Å; V549-F571 HydrophobicContact CG2-CD2 4.27Å; V549-F571 HydrophobicContact CG2-CE2 4.24Å
550	N	93.6	Very high	87.7	Confident	45 Å²	45	51.4 Å²	51.4	24%	0.241	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	132.8	171.1	-59.8	-65.4	0	0	0	108.2	F533 L534 F567 T568	F533-N550 CarbonylContact C-O 3.53Å; F533-N550 VanDerWaalsContact CA-O 3.3Å; F533-N550 WeakPolarHBondContact CA-O 3.4Å; L534-N550 HydrophobicContact CB-CB 4.26Å; L534-N550 PolarHBondContact N-O 3.14Å; L534-N550 PolarHBondContact O-N 3.16Å; N550-F567 WeakPolarHBondContact CA-O 3.31Å; N550-T568 VanDerWaalsContact OD1-CB 3.31Å; N550-T568 WeakPolarHBondContact OD1-CB 3.48Å; N550-T568 WeakPolarHBondContact OD1-CG2 3.38Å; N550-T568 PolarHBondContact OD1-OG1 2.76Å
551	G	92.8	Very high	87.7	Confident	7 Å²	7	56 Å²	56	7%	0.072	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	-173.2	-179.2	0	0	0	0	0	113.1	A566 F567	G551-A566 WeakPolarHBondContact O-CA 3.26Å; G551-F567 VanDerWaalsContact C-CD1 3.41Å; G551-F567 PolarHBondContact N-O 2.96Å; G551-F567 WeakPolarHBondContact O-CD1 3.34Å; G551-F567 PolarHBondContact O-N 3.38Å
552	L	93.1	Very high	87.5	Confident	12 Å²	12	55.9 Å²	55.9	6%	0.063	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	147.2	179.3	-55.2	178	0	0	0	110.8	D529 S532 I564 R565 A566 A593 E597 A601	D529-L552 PolarHBondContact N-O 3Å; S532-L552 PolarHBondContact OG-N 2.98Å; L552-I564 HydrophobicContact CB-CG2 4.41Å; L552-R565 WeakPolarHBondContact CA-O 3.36Å; L552-A566 HydrophobicContact CD2-CB 3.6Å; L552-A593 HydrophobicContact CD2-CB 4.17Å; L552-E597 HydrophobicContact CD1-CB 4.13Å; L552-E597 WeakPolarHBondContact CD1-O 3.3Å; L552-E597 HydrophobicContact CD2-CB 4.09Å; L552-A601 HydrophobicContact CD1-CB 3.64Å
553	F	93.4	Very high	87.7	Confident	5 Å²	5	48.7 Å²	48.7	2%	0.022	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	156.6	169.5	70.9	-104.7	0	0	0	111.4	T526 Q527 H528 E555 I564 R565 F567 V590	T526-F553 HydrophobicContact CG2-CD2 3.47Å; T526-F553 VanDerWaalsContact CG2-CD2 3.47Å; T526-F553 HydrophobicContact CG2-CE2 3.57Å; T526-F553 HydrophobicContact CG2-CG 4.2Å; T526-F553 HydrophobicContact CG2-CZ 4.34Å; Q527-F553 CarbonylContact O-C 3.6Å; Q527-F553 VanDerWaalsContact O-CA 3.3Å; Q527-F553 WeakPolarHBondContact O-CA 3.49Å; H528-F553 HydrophobicContact CB-CB 4.36Å; H528-F553 VanDerWaalsContact CD2-CB 3.47Å; H528-F553 WeakPolarHBondContact CD2-CB 3.29Å; H528-F553 AromaticContact NE2-CD1 3.58Å; H528-F553 AromaticContact NE2-CG 3.79Å; F553-E555 HydrophobicContact CE2-CG 4.05Å; F553-I564 CarbonylContact O-C 3.57Å; F553-I564 WeakPolarHBondContact O-CA 3.23Å; F553-R565 HydrophobicContact CD1-CB 4.29Å; F553-R565 HydrophobicContact CD2-CB 4.11Å; F553-R565 HydrophobicContact CD2-CG 4.26Å; F553-R565 HydrophobicContact CE1-CB 3.85Å; F553-R565 HydrophobicContact CE2-CB 3.64Å; F553-R565 HydrophobicContact CE2-CG 3.55Å; F553-R565 HydrophobicContact CG-CB 4.41Å; F553-R565 HydrophobicContact CZ-CB 3.5Å; F553-R565 VanDerWaalsContact CZ-CB 3.5Å; F553-R565 HydrophobicContact CZ-CG 3.73Å; F553-R565 PolarHBondContact N-O 3.06Å; F553-R565 PolarHBondContact O-N 3.44Å; F553-F567 HydrophobicContact CD1-CB 4.1Å; F553-F567 AromaticContact CD1-CD1 3.66Å; F553-F567 HydrophobicContact CD1-CD1 3.66Å; F553-F567 HydrophobicContact CD1-CE1 4.49Å; F553-F567 HydrophobicContact CD1-CG 4.12Å; F553-F567 HydrophobicContact CE1-CB 3.88Å; F553-F567 HydrophobicContact CE1-CD1 4.33Å; F553-F567 HydrophobicContact CE1-CG 4.36Å; F553-V590 HydrophobicContact CE1-CG1 4.25Å; F553-V590 HydrophobicContact CE1-CG2 4.48Å; F553-V590 HydrophobicContact CZ-CG1 3.88Å
554	M	91.4	Very high	87.9	Confident	52 Å²	52	43.1 Å²	43.1	26%	0.256	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	139.3	173.2	-172.6	-175.3	-59.2	0	0	110.2	T526 Q527 C563 I564 F602	T526-M554 CarbonylContact C-O 3.51Å; T526-M554 VanDerWaalsContact CA-O 3.26Å; T526-M554 WeakPolarHBondContact CA-O 3.4Å; Q527-M554 PolarHBondContact N-O 2.96Å; Q527-M554 PolarHBondContact O-N 3.12Å; M554-C563 WeakPolarHBondContact CA-O 3.44Å; M554-I564 HydrophobicContact CE-CD1 4.48Å; M554-I564 HydrophobicContact CE-CG1 4.32Å; M554-F602 HydrophobicContact CB-CE2 4.13Å; M554-F602 HydrophobicContact CB-CZ 3.78Å; M554-F602 HydrophobicContact CE-CD2 4.14Å; M554-F602 HydrophobicContact CE-CE2 3.71Å; M554-F602 HydrophobicContact CE-CZ 4.08Å
555	E	90.1	Very high	87.9	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	124	170.6	-73.3	166.7	-160.3	0	0	110.3	Y489 P524 F553 C560 G562 C563 R565	Y489-E555 WeakPolarHBondContact CE2-OE1 3.16Å; Y489-E555 PolarHBondContact OH-OE1 3.08Å; P524-E555 HydrophobicContact CB-CG 4.38Å; F553-E555 HydrophobicContact CE2-CG 4.05Å; E555-C560 WeakPolarHBondContact OE2-CB 3.49Å; E555-G562 PolarHBondContact O-N 3.32Å; E555-C563 PolarHBondContact N-O 2.95Å; E555-R565 WeakPolarHBondContact OE1-CG 3.16Å; E555-R565 IonicContact OE1-CZ 3.95Å; E555-R565 IonicContact OE1-NE 3.86Å; E555-R565 PolarHBondContact OE1-NE 2.84Å; E555-R565 IonicContact OE1-NH2 3.07Å; E555-R565 PolarHBondContact OE1-NH2 2.93Å; E555-R565 IonicContact OE2-CZ 2.9Å; E555-R565 IonicContact OE2-NE 3.45Å; E555-R565 IonicContact OE2-NH2 2.75Å; E555-R565 PolarHBondContact OE2-NH2 3.44Å; E555-R565 VanDerWaalsContact OE2-NH2 3.07Å
556	V	87.5	Confident	88	Confident	53 Å²	53	40 Å²	40	32%	0.321	21%	0.214	S	C	.	.			trans	-96.5	-12.4	-178	-57.6	0	0	0	0	113.2	K525 Q527 R561	K525-V556 HydrophobicContact CB-CG2 3.36Å; K525-V556 WeakPolarHBondContact O-CG2 3.31Å; K525-V556 PolarHBondContact O-N 2.82Å; Q527-V556 HydrophobicContact CB-CG1 3.82Å; V556-R561 VanDerWaalsContact O-CD 3.32Å; V556-R561 WeakPolarHBondContact O-CD 3.43Å; V556-R561 WeakPolarHBondContact O-CG 3.4Å; V556-R561 PolarHBondContact O-NE 2.94Å
557	E	81.1	Confident	88.2	Confident	100 Å²	100	39.9 Å²	39.9	47%	0.467	21%	0.213	S	C	.	.	S	Bend	trans	-140.2	163.2	-177.8	-171.8	171.2	-177.2	0	0	110.4	K525	K525-E557 HydrophobicContact CB-CB 4.18Å; K525-E557 WeakPolarHBondContact CD-OE2 3.44Å; K525-E557 WeakPolarHBondContact CE-OE2 3.45Å; K525-E557 IonicContact NZ-OE2 2.67Å; K525-E557 PolarHBondContact NZ-OE2 2.75Å
558	G	76.6	Confident	88.3	Confident	41 Å²	41	41.5 Å²	41.5	42%	0.423	22%	0.223	S	C	.	.	S	Bend	trans	95.5	-173.5	176.5	0	0	0	0	0	114.1	C560 R561	G558-C560 VanDerWaalsContact C-N 3.25Å; G558-C560 PolarHBondContact O-N 3.41Å; G558-R561 PolarHBondContact O-N 2.84Å
559	K	73.9	Confident	88.4	Confident	177 Å²	177	40.8 Å²	40.8	77%	0.77	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-29.1	-177.4	-68.2	-177.2	-179.5	-179.9	0	113.1
560	C	77.9	Confident	88.5	Confident	17 Å²	17	43 Å²	43	12%	0.115	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	29.8	-177.1	-67.6	0	0	0	0	111.8	N485 E555 G558 G562 C563	N485-C560 PolarHBondContact O-SG 3.42Å; N485-C560 VanDerWaalsContact O-SG 3.34Å; E555-C560 WeakPolarHBondContact OE2-CB 3.49Å; G558-C560 VanDerWaalsContact C-N 3.25Å; G558-C560 PolarHBondContact O-N 3.41Å; C560-G562 PolarHBondContact O-N 3.43Å; C560-C563 HydrophobicContact CB-CB 4.08Å; C560-C563 WeakPolarHBondContact O-CB 3.23Å; C560-C563 PolarHBondContact O-N 3.49Å; C560-C563 PolarHBondContact O-SG 3.49Å
561	R	82.4	Confident	88.6	Confident	192 Å²	192	40.9 Å²	40.9	73%	0.725	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	129.6	175.3	-178.9	176.6	-173.6	-143.5	-3	111	V556 G558 C563	V556-R561 VanDerWaalsContact O-CD 3.32Å; V556-R561 WeakPolarHBondContact O-CD 3.43Å; V556-R561 WeakPolarHBondContact O-CG 3.4Å; V556-R561 PolarHBondContact O-NE 2.94Å; G558-R561 PolarHBondContact O-N 2.84Å; R561-C563 VanDerWaalsContact C-N 3.31Å
562	G	80.8	Confident	88.7	Confident	42 Å²	42	43.2 Å²	43.2	43%	0.433	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	-6.7	-175.6	0	0	0	0	0	114.2	E555 C560 I564	E555-G562 PolarHBondContact O-N 3.32Å; C560-G562 PolarHBondContact O-N 3.43Å; G562-I564 PolarHBondContact O-N 2.89Å
563	C	84.5	Confident	88.8	Confident	37 Å²	37	42.7 Å²	42.7	25%	0.25	23%	0.226	C	C	.	.			trans	-68.9	132.3	173.7	-68.2	0	0	0	0	110.6	M554 E555 C560 R561	M554-C563 WeakPolarHBondContact CA-O 3.44Å; E555-C563 PolarHBondContact N-O 2.95Å; C560-C563 HydrophobicContact CB-CB 4.08Å; C560-C563 WeakPolarHBondContact O-CB 3.23Å; C560-C563 PolarHBondContact O-N 3.49Å; C560-C563 PolarHBondContact O-SG 3.49Å; R561-C563 VanDerWaalsContact C-N 3.31Å
564	I	88.8	Confident	88.7	Confident	34 Å²	34	45.5 Å²	45.5	17%	0.174	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126.1	174.4	-58.8	176.8	0	0	0	108.5	L552 F553 M554 G562 A593 I598 A601 F602	L552-I564 HydrophobicContact CB-CG2 4.41Å; F553-I564 CarbonylContact O-C 3.57Å; F553-I564 WeakPolarHBondContact O-CA 3.23Å; M554-I564 HydrophobicContact CE-CD1 4.48Å; M554-I564 HydrophobicContact CE-CG1 4.32Å; G562-I564 PolarHBondContact O-N 2.89Å; I564-A593 HydrophobicContact CG2-CB 3.99Å; I564-I598 HydrophobicContact CB-CG1 4.33Å; I564-I598 HydrophobicContact CD1-CG2 4.24Å; I564-I598 HydrophobicContact CG2-CG1 4.46Å; I564-A601 HydrophobicContact CD1-CB 3.95Å; I564-A601 HydrophobicContact CG2-CB 4.2Å; I564-F602 HydrophobicContact CD1-CD2 4.3Å; I564-F602 HydrophobicContact CD1-CE2 4.1Å; I564-F602 HydrophobicContact CG1-CE2 4.29Å
565	R	90.6	Very high	88.5	Confident	3 Å²	3	45.4 Å²	45.4	1%	0.011	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	151.1	176.8	-52	-56.7	-176.9	173	-1.1	109.7	N485 L552 F553 E555 V590 R591 N592	N485-R565 PolarHBondContact O-NH1 3.05Å; N485-R565 PolarHBondContact O-NH2 3.32Å; L552-R565 WeakPolarHBondContact CA-O 3.36Å; F553-R565 HydrophobicContact CD1-CB 4.29Å; F553-R565 HydrophobicContact CD2-CB 4.11Å; F553-R565 HydrophobicContact CD2-CG 4.26Å; F553-R565 HydrophobicContact CE1-CB 3.85Å; F553-R565 HydrophobicContact CE2-CB 3.64Å; F553-R565 HydrophobicContact CE2-CG 3.55Å; F553-R565 HydrophobicContact CG-CB 4.41Å; F553-R565 HydrophobicContact CZ-CB 3.5Å; F553-R565 VanDerWaalsContact CZ-CB 3.5Å; F553-R565 HydrophobicContact CZ-CG 3.73Å; F553-R565 PolarHBondContact N-O 3.06Å; F553-R565 PolarHBondContact O-N 3.44Å; E555-R565 WeakPolarHBondContact OE1-CG 3.16Å; E555-R565 IonicContact OE1-CZ 3.95Å; E555-R565 IonicContact OE1-NE 3.86Å; E555-R565 PolarHBondContact OE1-NE 2.84Å; E555-R565 IonicContact OE1-NH2 3.07Å; E555-R565 PolarHBondContact OE1-NH2 2.93Å; E555-R565 IonicContact OE2-CZ 2.9Å; E555-R565 IonicContact OE2-NE 3.45Å; E555-R565 IonicContact OE2-NH2 2.75Å; E555-R565 PolarHBondContact OE2-NH2 3.44Å; E555-R565 VanDerWaalsContact OE2-NH2 3.07Å; R565-V590 HydrophobicContact CB-CG1 4.26Å; R565-V590 HydrophobicContact CG-CG1 4.45Å; R565-R591 WeakPolarHBondContact CA-O 3.35Å; R565-N592 PolarHBondContact NH1-OD1 3.39Å
566	A	92.8	Very high	88	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	142.9	165.8	0	0	0	0	0	108.9	G551 L552 R591 A593	G551-A566 WeakPolarHBondContact O-CA 3.26Å; L552-A566 HydrophobicContact CD2-CB 3.6Å; A566-R591 HydrophobicContact CB-CG 4Å; A566-R591 VanDerWaalsContact CB-NH1 3.32Å; A566-R591 PolarHBondContact N-O 3.09Å; A566-R591 WeakPolarHBondContact O-CG 3.36Å; A566-R591 PolarHBondContact O-N 3.45Å; A566-R591 VanDerWaalsContact O-O 3.06Å; A566-A593 HydrophobicContact CB-CB 4.23Å
567	F	95.8	Very high	87.2	Confident	3 Å²	3	50.9 Å²	50.9	1%	0.013	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.5	179.3	79.9	-82.4	0	0	0	111.6	Y449 H528 F533 V549 N550 G551 F553 R569 L588 I589	Y449-F567 HydrophobicContact CE1-CZ 4.46Å; Y449-F567 AromaticContact CZ-CZ 3.96Å; Y449-F567 WeakPolarHBondContact OH-CE2 3.48Å; Y449-F567 WeakPolarHBondContact OH-CZ 2.97Å; H528-F567 AromaticContact CD2-CE1 3.55Å; H528-F567 AromaticContact CD2-CZ 3.95Å; F533-F567 HydrophobicContact CD1-CE1 4.33Å; F533-F567 HydrophobicContact CD1-CZ 4.2Å; F533-F567 AromaticContact CE1-CE1 3.64Å; F533-F567 HydrophobicContact CE1-CE1 3.64Å; F533-F567 AromaticContact CE1-CZ 3.58Å; F533-F567 HydrophobicContact CE1-CZ 3.58Å; F533-F567 HydrophobicContact CE2-CZ 4.32Å; F533-F567 HydrophobicContact CZ-CE1 4.08Å; F533-F567 AromaticContact CZ-CZ 3.63Å; F533-F567 HydrophobicContact CZ-CZ 3.63Å; V549-F567 HydrophobicContact CB-CE2 4.3Å; V549-F567 HydrophobicContact CG1-CE2 4.03Å; V549-F567 HydrophobicContact CG1-CZ 3.98Å; N550-F567 WeakPolarHBondContact CA-O 3.31Å; G551-F567 VanDerWaalsContact C-CD1 3.41Å; G551-F567 PolarHBondContact N-O 2.96Å; G551-F567 WeakPolarHBondContact O-CD1 3.34Å; G551-F567 PolarHBondContact O-N 3.38Å; F553-F567 HydrophobicContact CD1-CB 4.1Å; F553-F567 AromaticContact CD1-CD1 3.66Å; F553-F567 HydrophobicContact CD1-CD1 3.66Å; F553-F567 HydrophobicContact CD1-CE1 4.49Å; F553-F567 HydrophobicContact CD1-CG 4.12Å; F553-F567 HydrophobicContact CE1-CB 3.88Å; F553-F567 HydrophobicContact CE1-CD1 4.33Å; F553-F567 HydrophobicContact CE1-CG 4.36Å; F567-R569 HydrophobicContact CD2-CB 3.85Å; F567-R569 HydrophobicContact CE2-CB 3.85Å; F567-L588 HydrophobicContact CB-CD1 4.16Å; F567-L588 HydrophobicContact CD2-CD1 4.13Å; F567-I589 CarbonylContact C-O 3.59Å; F567-I589 WeakPolarHBondContact CA-O 3.41Å; F567-I589 WeakPolarHBondContact CB-O 3.2Å
568	T	96.5	Very high	86.7	Confident	35 Å²	35	50.7 Å²	50.7	22%	0.215	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120	165.3	-62.3	0	0	0	0	106.5	V549 N550 I570 I589	V549-T568 CarbonylContact O-C 3Å; V549-T568 WeakPolarHBondContact O-CA 3.35Å; N550-T568 VanDerWaalsContact OD1-CB 3.31Å; N550-T568 WeakPolarHBondContact OD1-CB 3.48Å; N550-T568 WeakPolarHBondContact OD1-CG2 3.38Å; N550-T568 PolarHBondContact OD1-OG1 2.76Å; T568-I570 HydrophobicContact CG2-CG1 4.41Å; T568-I589 PolarHBondContact N-O 2.84Å; T568-I589 WeakPolarHBondContact O-CB 3.33Å; T568-I589 PolarHBondContact O-N 2.92Å
569	R	97.3	Very high	86.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.6	178.2	-163.3	167.4	-169.2	159.2	8.5	110.2	Y448 Y449 Y452 Y464 S548 V549 F567 F571 D586 E587 L588	Y448-R569 VanDerWaalsContact OH-CZ 3.24Å; Y448-R569 PolarHBondContact OH-NH1 2.74Å; Y448-R569 PolarHBondContact OH-NH2 3.45Å; Y449-R569 WeakPolarHBondContact OH-CD 3.11Å; Y452-R569 VanDerWaalsContact CE2-NH1 3.32Å; Y464-R569 PolarHBondContact OH-NH2 3.19Å; S548-R569 CarbonylContact C-O 3.43Å; S548-R569 WeakPolarHBondContact CA-O 3.48Å; V549-R569 PolarHBondContact N-O 2.91Å; V549-R569 PolarHBondContact O-N 3.18Å; F567-R569 HydrophobicContact CD2-CB 3.85Å; F567-R569 HydrophobicContact CE2-CB 3.85Å; R569-F571 HydrophobicContact CB-CE2 4.28Å; R569-F571 HydrophobicContact CG-CD2 4.36Å; R569-F571 HydrophobicContact CG-CE1 4.18Å; R569-F571 HydrophobicContact CG-CE2 3.77Å; R569-F571 HydrophobicContact CG-CZ 3.7Å; R569-F571 VanDerWaalsContact NE-CZ 3.3Å; R569-D586 VanDerWaalsContact CG-OD1 3.3Å; R569-D586 WeakPolarHBondContact CG-OD1 3.36Å; R569-D586 IonicContact CZ-OD1 3.36Å; R569-D586 IonicContact CZ-OD2 2.94Å; R569-D586 IonicContact NE-OD1 3.53Å; R569-D586 PolarHBondContact NE-OD1 2.87Å; R569-D586 IonicContact NE-OD2 3.49Å; R569-D586 PolarHBondContact NE-OD2 2.93Å; R569-D586 IonicContact NH2-OD1 3.19Å; R569-D586 IonicContact NH2-OD2 2.79Å; R569-D586 PolarHBondContact NH2-OD2 3.06Å; R569-E587 CarbonylContact C-O 3.44Å; R569-E587 VanDerWaalsContact CA-O 3.27Å; R569-E587 WeakPolarHBondContact CA-O 3.34Å; R569-L588 HydrophobicContact CB-CD1 4.22Å; R569-L588 HydrophobicContact CG-CD1 4.27Å
570	I	96.8	Very high	86.9	Confident	47 Å²	47	51.5 Å²	51.5	24%	0.241	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.1	-177.6	-54.9	171.8	0	0	0	107.8	F538 T568 D586 E587	F538-I570 HydrophobicContact CE1-CG2 4.32Å; F538-I570 HydrophobicContact CZ-CG2 3.94Å; T568-I570 HydrophobicContact CG2-CG1 4.41Å; I570-D586 WeakPolarHBondContact O-CA 3.43Å; I570-E587 HydrophobicContact CB-CB 4.37Å; I570-E587 PolarHBondContact N-O 3.29Å; I570-E587 PolarHBondContact O-N 3.12Å
571	F	96.9	Very high	87.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.8	177	-65.6	-72.9	0	0	0	110.2	F444 L445 Y448 C546 F547 V549 R569 I583 N585 D586	F444-F571 HydrophobicContact CE1-CE2 4.43Å; L445-F571 HydrophobicContact CD2-CE2 4.19Å; Y448-F571 HydrophobicContact CD1-CZ 4.43Å; Y448-F571 HydrophobicContact CE1-CZ 4.09Å; C546-F571 WeakPolarHBondContact CA-O 3.34Å; F547-F571 HydrophobicContact CD1-CB 4.37Å; F547-F571 HydrophobicContact CD2-CB 4.24Å; F547-F571 HydrophobicContact CD2-CD2 4.03Å; F547-F571 HydrophobicContact CE1-CB 3.85Å; F547-F571 HydrophobicContact CE2-CB 3.72Å; F547-F571 AromaticContact CE2-CD2 3.35Å; F547-F571 HydrophobicContact CE2-CD2 3.35Å; F547-F571 HydrophobicContact CE2-CE2 4.23Å; F547-F571 AromaticContact CE2-CG 3.88Å; F547-F571 HydrophobicContact CE2-CG 3.88Å; F547-F571 HydrophobicContact CZ-CB 3.5Å; F547-F571 VanDerWaalsContact CZ-CB 3.5Å; F547-F571 AromaticContact CZ-CD2 3.87Å; F547-F571 HydrophobicContact CZ-CD2 3.87Å; F547-F571 AromaticContact CZ-CG 3.93Å; F547-F571 HydrophobicContact CZ-CG 3.93Å; F547-F571 PolarHBondContact N-O 3.32Å; F547-F571 PolarHBondContact O-N 3.4Å; V549-F571 HydrophobicContact CG2-CD2 4.27Å; V549-F571 HydrophobicContact CG2-CE2 4.24Å; R569-F571 HydrophobicContact CB-CE2 4.28Å; R569-F571 HydrophobicContact CG-CD2 4.36Å; R569-F571 HydrophobicContact CG-CE1 4.18Å; R569-F571 HydrophobicContact CG-CE2 3.77Å; R569-F571 HydrophobicContact CG-CZ 3.7Å; R569-F571 VanDerWaalsContact NE-CZ 3.3Å; F571-I583 HydrophobicContact CD1-CD1 4.13Å; F571-I583 HydrophobicContact CD1-CG1 4.2Å; F571-I583 HydrophobicContact CD1-CG2 4.01Å; F571-I583 HydrophobicContact CE1-CD1 3.96Å; F571-N585 WeakPolarHBondContact CA-O 3.41Å; F571-D586 HydrophobicContact CD1-CB 4.24Å; F571-D586 HydrophobicContact CE1-CB 4.31Å; F571-D586 WeakPolarHBondContact CE1-OD1 3.37Å
572	I	95.6	Very high	88	Confident	56 Å²	56	43.1 Å²	43.1	29%	0.287	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	114.7	160.4	-54.5	-178.8	0	0	0	106.1	L545 M584 N585	L545-I572 CarbonylContact O-C 3.54Å; L545-I572 WeakPolarHBondContact O-CA 3.33Å; I572-M584 WeakPolarHBondContact O-CA 3.43Å; I572-M584 PolarHBondContact O-N 3.36Å; I572-N585 HydrophobicContact CB-CB 3.97Å; I572-N585 HydrophobicContact CD1-CB 4.01Å; I572-N585 HydrophobicContact CG1-CB 4.09Å; I572-N585 PolarHBondContact N-O 3.37Å; I572-N585 PolarHBondContact O-N 3.34Å; I572-N585 VanDerWaalsContact O-N 3.1Å
573	A	94.3	Very high	88.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	149.2	-176.2	0	0	0	0	0	111.4	M544 L545 F547 I581 C582	M544-A573 CarbonylContact C-O 3.58Å; M544-A573 VanDerWaalsContact CA-O 3.3Å; M544-A573 WeakPolarHBondContact CA-O 3.4Å; L545-A573 PolarHBondContact N-O 3.18Å; L545-A573 PolarHBondContact O-N 2.98Å; F547-A573 HydrophobicContact CE1-CB 4.34Å; A573-I581 HydrophobicContact CB-CB 3.95Å; A573-I581 HydrophobicContact CB-CD1 4.08Å; A573-I581 HydrophobicContact CB-CG1 4.23Å; A573-C582 CarbonylContact C-O 3.19Å; A573-C582 WeakPolarHBondContact CA-O 3.35Å; A573-C582 WeakPolarHBondContact CB-O 3.1Å
574	I	91.8	Very high	89.4	Confident	64 Å²	64	41.4 Å²	41.4	33%	0.328	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	132.2	174	-61.7	173.9	0	0	0	107.9	I581 C582 M584	I574-I581 WeakPolarHBondContact O-CA 3.49Å; I574-C582 PolarHBondContact N-O 3.29Å; I574-C582 PolarHBondContact O-N 2.92Å; I574-M584 HydrophobicContact CD1-CG 3.3Å; I574-M584 HydrophobicContact CD1-SD 3.71Å; I574-M584 HydrophobicContact CG1-CG 3.55Å
575	P	86.2	Confident	89.8	Confident	50 Å²	50	43.3 Å²	43.3	33%	0.325	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	134.3	172.6	28.3	-32.7	0	0	0	110.8	E542	E542-P575 WeakPolarHBondContact O-CG 3.06Å
576	C	80.9	Confident	90.1	Very high	53 Å²	53	43.3 Å²	43.3	36%	0.358	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	161.3	175.1	-60.8	0	0	0	0	111	D578 S579 R580	C576-D578 PolarHBondContact O-N 2.95Å; C576-S579 PolarHBondContact O-N 2.89Å; C576-R580 HydrophobicContact CB-CB 4.47Å; C576-R580 PolarHBondContact N-O 3.19Å
577	S	70.8	Confident	90.3	Very high	116 Å²	116	46.8 Å²	46.8	81%	0.811	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-25.9	-177.5	49.7	0	0	0	0	115	S579	S577-S579 PolarHBondContact O-N 3.42Å
578	D	70	Confident	90.4	Very high	97 Å²	97	47 Å²	47	52%	0.519	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	23.5	-170.4	-47.1	-23.8	0	0	0	113.3	C576 R580	C576-D578 PolarHBondContact O-N 2.95Å; D578-R580 PolarHBondContact O-N 3.29Å; D578-R580 IonicContact OD2-CZ 3.75Å; D578-R580 IonicContact OD2-NE 3.74Å; D578-R580 IonicContact OD2-NH2 3.71Å; D578-R580 PolarHBondContact OD2-NH2 3.07Å
579	S	71.7	Confident	90.3	Very high	98 Å²	98	47.5 Å²	47.5	69%	0.685	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	39.8	-169.3	-55.4	0	0	0	0	112.3	L440 C576 S577	L440-S579 WeakPolarHBondContact CD1-O 3.08Å; C576-S579 PolarHBondContact O-N 2.89Å; S577-S579 PolarHBondContact O-N 3.42Å
580	R	82.4	Confident	90.2	Very high	136 Å²	136	47.5 Å²	47.5	51%	0.513	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	161.2	170	-69.6	-174	-68.2	150	-2	108.8	C576 D578	C576-R580 HydrophobicContact CB-CB 4.47Å; C576-R580 PolarHBondContact N-O 3.19Å; D578-R580 PolarHBondContact O-N 3.29Å; D578-R580 IonicContact OD2-CZ 3.75Å; D578-R580 IonicContact OD2-NE 3.74Å; D578-R580 IonicContact OD2-NH2 3.71Å; D578-R580 PolarHBondContact OD2-NH2 3.07Å
581	I	90.8	Very high	89.9	Confident	11 Å²	11	49.4 Å²	49.4	6%	0.056	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	141.5	173.3	68.1	178.2	0	0	0	109.4	L440 F444 L545 F547 A573 I574	L440-I581 HydrophobicContact CD1-CG2 4.28Å; L440-I581 HydrophobicContact CD2-CG2 3.75Å; L440-I581 HydrophobicContact CG-CG2 3.96Å; F444-I581 HydrophobicContact CB-CD1 3.78Å; F444-I581 HydrophobicContact CB-CG1 3.98Å; F444-I581 HydrophobicContact CD1-CD1 3.61Å; F444-I581 HydrophobicContact CD1-CG1 4.24Å; F444-I581 HydrophobicContact CD2-CD1 3.73Å; F444-I581 HydrophobicContact CD2-CG1 3.38Å; F444-I581 HydrophobicContact CE1-CD1 4.08Å; F444-I581 HydrophobicContact CE2-CD1 4.18Å; F444-I581 HydrophobicContact CE2-CG1 3.85Å; F444-I581 HydrophobicContact CG-CD1 3.4Å; F444-I581 HydrophobicContact CG-CG1 3.59Å; F444-I581 HydrophobicContact CZ-CD1 4.33Å; F444-I581 HydrophobicContact CZ-CG1 4.45Å; L545-I581 HydrophobicContact CD1-CG2 3.64Å; F547-I581 HydrophobicContact CE1-CD1 3.76Å; F547-I581 HydrophobicContact CZ-CD1 3.73Å; A573-I581 HydrophobicContact CB-CB 3.95Å; A573-I581 HydrophobicContact CB-CD1 4.08Å; A573-I581 HydrophobicContact CB-CG1 4.23Å; I574-I581 WeakPolarHBondContact O-CA 3.49Å
582	C	93.6	Very high	89.4	Confident	22 Å²	22	50.7 Å²	50.7	15%	0.149	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.3	179.5	-173.7	0	0	0	0	109.5	H465 A573 I574 M584	H465-C582 VanDerWaalsContact CA-SG 3.58Å; H465-C582 PolarHBondContact N-SG 2.79Å; A573-C582 CarbonylContact C-O 3.19Å; A573-C582 WeakPolarHBondContact CA-O 3.35Å; A573-C582 WeakPolarHBondContact CB-O 3.1Å; I574-C582 PolarHBondContact N-O 3.29Å; I574-C582 PolarHBondContact O-N 2.92Å; C582-M584 PolarHBondContact O-N 3.23Å
583	I	96.9	Very high	89	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	127.5	-172.9	-53.7	161.4	0	0	0	110	F444 Y448 A463 Y464 H465 A468 F571 D586	F444-I583 HydrophobicContact CE2-CD1 4.23Å; F444-I583 HydrophobicContact CE2-CG1 4.2Å; F444-I583 HydrophobicContact CZ-CD1 3.76Å; F444-I583 HydrophobicContact CZ-CG1 3.85Å; Y448-I583 HydrophobicContact CD2-CD1 4.14Å; Y448-I583 HydrophobicContact CE2-CD1 3.7Å; A463-I583 HydrophobicContact CB-CD1 4.12Å; A463-I583 WeakPolarHBondContact O-CG1 3.44Å; A463-I583 PolarHBondContact O-N 3.23Å; Y464-I583 HydrophobicContact CD1-CB 3.74Å; Y464-I583 HydrophobicContact CD1-CD1 4.04Å; Y464-I583 HydrophobicContact CD1-CG2 3.81Å; Y464-I583 HydrophobicContact CD2-CD1 4.22Å; Y464-I583 HydrophobicContact CE1-CB 3.94Å; Y464-I583 HydrophobicContact CE1-CD1 3.69Å; Y464-I583 HydrophobicContact CE1-CG1 4.46Å; Y464-I583 HydrophobicContact CE1-CG2 3.64Å; Y464-I583 HydrophobicContact CE2-CD1 3.87Å; Y464-I583 HydrophobicContact CG-CB 4.36Å; Y464-I583 HydrophobicContact CG-CD1 4.28Å; H465-I583 WeakPolarHBondContact CB-O 3.45Å; H465-I583 PolarHBondContact N-O 3.47Å; A468-I583 WeakPolarHBondContact CB-O 3.33Å; F571-I583 HydrophobicContact CD1-CD1 4.13Å; F571-I583 HydrophobicContact CD1-CG1 4.2Å; F571-I583 HydrophobicContact CD1-CG2 4.01Å; F571-I583 HydrophobicContact CE1-CD1 3.96Å; I583-D586 HydrophobicContact CG2-CB 4.03Å
584	M	96.6	Very high	88.4	Confident	44 Å²	44	50.7 Å²	50.7	22%	0.217	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-44.8	171.6	-77.4	-63.4	-60	0	0	112.3	H465 A468 C469 I572 I574 C582	H465-M584 HydrophobicContact CB-SD 3.48Å; H465-M584 WeakPolarHBondContact CB-SD 3.29Å; H465-M584 PolarHBondContact ND1-SD 3.41Å; H465-M584 VanDerWaalsContact ND1-SD 3.42Å; A468-M584 CarbonylContact C-O 3.51Å; A468-M584 WeakPolarHBondContact CA-O 3.23Å; C469-M584 PolarHBondContact N-O 2.69Å; I572-M584 WeakPolarHBondContact O-CA 3.43Å; I572-M584 PolarHBondContact O-N 3.36Å; I574-M584 HydrophobicContact CD1-CG 3.3Å; I574-M584 HydrophobicContact CD1-SD 3.71Å; I574-M584 HydrophobicContact CG1-CG 3.55Å; C582-M584 PolarHBondContact O-N 3.23Å
585	N	97.1	Very high	87.8	Confident	73 Å²	73	53 Å²	53	39%	0.39	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135.7	175.4	-63.7	45.8	0	0	0	109.6	C469 F571 I572	C469-N585 WeakPolarHBondContact O-CA 3.46Å; F571-N585 WeakPolarHBondContact CA-O 3.41Å; I572-N585 HydrophobicContact CB-CB 3.97Å; I572-N585 HydrophobicContact CD1-CB 4.01Å; I572-N585 HydrophobicContact CG1-CB 4.09Å; I572-N585 PolarHBondContact N-O 3.37Å; I572-N585 PolarHBondContact O-N 3.34Å; I572-N585 VanDerWaalsContact O-N 3.1Å
586	D	97.8	Very high	87.4	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.016	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	118.4	175.9	176.7	25.5	0	0	0	109.6	Y464 C469 F470 S471 R569 I570 F571 I583	Y464-D586 HydrophobicContact CE1-CB 3.94Å; Y464-D586 PolarHBondContact OH-OD2 3.26Å; C469-D586 PolarHBondContact O-N 2.63Å; F470-D586 VanDerWaalsContact CA-O 3.27Å; F470-D586 WeakPolarHBondContact CA-O 3.29Å; F470-D586 HydrophobicContact CD2-CB 4Å; F470-D586 WeakPolarHBondContact CD2-O 3.3Å; F470-D586 WeakPolarHBondContact CD2-OD2 3.35Å; F470-D586 WeakPolarHBondContact CE2-OD2 3.09Å; S471-D586 PolarHBondContact N-O 2.76Å; R569-D586 VanDerWaalsContact CG-OD1 3.3Å; R569-D586 WeakPolarHBondContact CG-OD1 3.36Å; R569-D586 IonicContact CZ-OD1 3.36Å; R569-D586 IonicContact CZ-OD2 2.94Å; R569-D586 IonicContact NE-OD1 3.53Å; R569-D586 PolarHBondContact NE-OD1 2.87Å; R569-D586 IonicContact NE-OD2 3.49Å; R569-D586 PolarHBondContact NE-OD2 2.93Å; R569-D586 IonicContact NH2-OD1 3.19Å; R569-D586 IonicContact NH2-OD2 2.79Å; R569-D586 PolarHBondContact NH2-OD2 3.06Å; I570-D586 WeakPolarHBondContact O-CA 3.43Å; F571-D586 HydrophobicContact CD1-CB 4.24Å; F571-D586 HydrophobicContact CE1-CB 4.31Å; F571-D586 WeakPolarHBondContact CE1-OD1 3.37Å; I583-D586 HydrophobicContact CG2-CB 4.03Å
587	E	97.2	Very high	87.4	Confident	74 Å²	74	58.4 Å²	58.4	35%	0.346	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.6	172.3	-177.2	170.5	-162.5	0	0	109.6	S471 R569 I570 I589	S471-E587 WeakPolarHBondContact O-CA 3.45Å; R569-E587 CarbonylContact C-O 3.44Å; R569-E587 VanDerWaalsContact CA-O 3.27Å; R569-E587 WeakPolarHBondContact CA-O 3.34Å; I570-E587 HydrophobicContact CB-CB 4.37Å; I570-E587 PolarHBondContact N-O 3.29Å; I570-E587 PolarHBondContact O-N 3.12Å; E587-I589 HydrophobicContact CG-CG1 4.38Å
588	L	97.4	Very high	87.8	Confident	7 Å²	7	56.6 Å²	56.6	4%	0.037	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.7	177.6	175.4	60.3	0	0	0	110.4	F470 S471 L472 S473 L523 F567 R569 V590	F470-L588 HydrophobicContact CE2-CB 3.79Å; F470-L588 HydrophobicContact CZ-CB 4.24Å; F470-L588 HydrophobicContact CZ-CD2 4.47Å; S471-L588 PolarHBondContact O-N 2.8Å; L472-L588 CarbonylContact C-O 3.47Å; L472-L588 VanDerWaalsContact CA-O 3.28Å; L472-L588 WeakPolarHBondContact CA-O 3.37Å; L472-L588 HydrophobicContact CD1-CD2 4.06Å; L472-L588 HydrophobicContact CD1-CG 4.49Å; S473-L588 PolarHBondContact N-O 2.85Å; L523-L588 HydrophobicContact CD1-CD2 4.37Å; F567-L588 HydrophobicContact CB-CD1 4.16Å; F567-L588 HydrophobicContact CD2-CD1 4.13Å; R569-L588 HydrophobicContact CB-CD1 4.22Å; R569-L588 HydrophobicContact CG-CD1 4.27Å; L588-V590 HydrophobicContact CD1-CG2 4.05Å; L588-V590 HydrophobicContact CD2-CG2 4.05Å; L588-V590 HydrophobicContact CG-CG2 3.79Å
589	I	95.3	Very high	88.1	Confident	47 Å²	47	59.4 Å²	59.4	24%	0.241	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121.2	173.8	-51.7	174.8	0	0	0	108.4	S473 P475 F567 T568 E587	S473-I589 VanDerWaalsContact O-CA 3.25Å; S473-I589 WeakPolarHBondContact O-CA 3.47Å; P475-I589 HydrophobicContact CG-CG2 4.26Å; F567-I589 CarbonylContact C-O 3.59Å; F567-I589 WeakPolarHBondContact CA-O 3.41Å; F567-I589 WeakPolarHBondContact CB-O 3.2Å; T568-I589 PolarHBondContact N-O 2.84Å; T568-I589 WeakPolarHBondContact O-CB 3.33Å; T568-I589 PolarHBondContact O-N 2.92Å; E587-I589 HydrophobicContact CG-CG1 4.38Å
590	V	93.6	Very high	88.1	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.7	-179.2	-176.8	0	0	0	0	110.1	S473 P475 L486 Y489 F553 R565 L588	S473-V590 PolarHBondContact O-N 2.95Å; P475-V590 WeakPolarHBondContact CD-O 3.44Å; L486-V590 HydrophobicContact CD2-CG1 4.16Å; Y489-V590 HydrophobicContact CD1-CG1 4.47Å; Y489-V590 HydrophobicContact CD1-CG2 4.29Å; Y489-V590 HydrophobicContact CD2-CG1 4.48Å; Y489-V590 HydrophobicContact CE1-CG1 4.45Å; Y489-V590 HydrophobicContact CE1-CG2 4.44Å; Y489-V590 HydrophobicContact CE2-CG1 4.48Å; Y489-V590 HydrophobicContact CG-CG1 4.47Å; F553-V590 HydrophobicContact CE1-CG1 4.25Å; F553-V590 HydrophobicContact CE1-CG2 4.48Å; F553-V590 HydrophobicContact CZ-CG1 3.88Å; R565-V590 HydrophobicContact CB-CG1 4.26Å; R565-V590 HydrophobicContact CG-CG1 4.45Å; L588-V590 HydrophobicContact CD1-CG2 4.05Å; L588-V590 HydrophobicContact CD2-CG2 4.05Å; L588-V590 HydrophobicContact CG-CG2 3.79Å
591	R	91	Very high	87.5	Confident	87 Å²	87	55.6 Å²	55.6	33%	0.328	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	169	175.6	64.2	170.8	175.1	84.5	-1.6	111.8	P475 R565 A566 E597	P475-R591 HydrophobicContact CG-CB 3.75Å; R565-R591 WeakPolarHBondContact CA-O 3.35Å; A566-R591 HydrophobicContact CB-CG 4Å; A566-R591 VanDerWaalsContact CB-NH1 3.32Å; A566-R591 PolarHBondContact N-O 3.09Å; A566-R591 WeakPolarHBondContact O-CG 3.36Å; A566-R591 PolarHBondContact O-N 3.45Å; A566-R591 VanDerWaalsContact O-O 3.06Å; R591-E597 IonicContact CZ-OE1 3.79Å; R591-E597 IonicContact CZ-OE2 3.43Å; R591-E597 IonicContact NH1-OE1 3.66Å; R591-E597 PolarHBondContact NH1-OE1 3.23Å; R591-E597 IonicContact NH1-OE2 3.67Å; R591-E597 PolarHBondContact NH1-OE2 3.29Å; R591-E597 IonicContact NH2-OE1 2.82Å; R591-E597 PolarHBondContact NH2-OE1 3.18Å; R591-E597 IonicContact NH2-OE2 3.45Å
592	N	87.1	Confident	86.4	Confident	26 Å²	26	57.4 Å²	57.4	14%	0.139	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	138	167.7	-71.2	-29.3	0	0	0	110.3	D480 R565	D480-N592 PolarHBondContact OD2-ND2 3.44Å; R565-N592 PolarHBondContact NH1-OD1 3.39Å
593	A	86.4	Confident	84.7	Confident	12 Å²	12	61.3 Å²	61.3	10%	0.099	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-72.4	139.4	171	0	0	0	0	0	109.5	L552 I564 A566 E597 I598	L552-A593 HydrophobicContact CD2-CB 4.17Å; I564-A593 HydrophobicContact CG2-CB 3.99Å; A566-A593 HydrophobicContact CB-CB 4.23Å; A593-E597 HydrophobicContact CB-CB 4.32Å; A593-I598 HydrophobicContact CB-CD1 4.36Å; A593-I598 HydrophobicContact CB-CG1 3.79Å
594	S	82.7	Confident	82.3	Confident	44 Å²	44	63.2 Å²	63.2	31%	0.308	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-70.8	156.8	174.1	66.6	0	0	0	0	110.9	K596 E597 I598	S594-K596 PolarHBondContact O-N 3.24Å; S594-K596 VanDerWaalsContact O-N 3.09Å; S594-E597 WeakPolarHBondContact CB-OE2 3.22Å; S594-E597 PolarHBondContact N-OE2 3.44Å; S594-E597 WeakPolarHBondContact O-CB 3.32Å; S594-E597 PolarHBondContact O-N 2.77Å; S594-E597 VanDerWaalsContact OG-CD 3.28Å; S594-E597 VanDerWaalsContact OG-CG 3.26Å; S594-E597 WeakPolarHBondContact OG-CG 3.42Å; S594-E597 PolarHBondContact OG-N 3.47Å; S594-E597 PolarHBondContact OG-OE2 3.37Å; S594-I598 WeakPolarHBondContact O-CG1 3.41Å; S594-I598 PolarHBondContact O-N 2.95Å
595	P	77.8	Confident	79.1	Confident	112 Å²	112	66 Å²	66	73%	0.727	34%	0.339	S	S	*	.	H	α-helix	trans	-54.6	-32.7	177.2	-27.9	35.4	0	0	0	113.9	Q599	P595-Q599 PolarHBondContact O-N 3.38Å; P595-Q599 VanDerWaalsContact O-N 3.12Å
596	K	78.9	Confident	76	Confident	167 Å²	167	68.3 Å²	68.3	73%	0.726	36%	0.358	S	S	*	.	H	α-helix	trans	-71.4	-34.2	176.9	-66.7	179.4	-178.4	172.7	0	112.9	S594	S594-K596 PolarHBondContact O-N 3.24Å; S594-K596 VanDerWaalsContact O-N 3.09Å
597	E	81.3	Confident	72.7	Confident	50 Å²	50	72.1 Å²	72.1	23%	0.234	39%	0.39	C	S	.	.	H	α-helix	trans	-73.3	-43	175.5	-73.2	165.3	139.7	0	0	110.3	L552 R591 A593 S594 Q599 K600 A601	L552-E597 HydrophobicContact CD1-CB 4.13Å; L552-E597 WeakPolarHBondContact CD1-O 3.3Å; L552-E597 HydrophobicContact CD2-CB 4.09Å; R591-E597 IonicContact CZ-OE1 3.79Å; R591-E597 IonicContact CZ-OE2 3.43Å; R591-E597 IonicContact NH1-OE1 3.66Å; R591-E597 PolarHBondContact NH1-OE1 3.23Å; R591-E597 IonicContact NH1-OE2 3.67Å; R591-E597 PolarHBondContact NH1-OE2 3.29Å; R591-E597 IonicContact NH2-OE1 2.82Å; R591-E597 PolarHBondContact NH2-OE1 3.18Å; R591-E597 IonicContact NH2-OE2 3.45Å; A593-E597 HydrophobicContact CB-CB 4.32Å; S594-E597 WeakPolarHBondContact CB-OE2 3.22Å; S594-E597 PolarHBondContact N-OE2 3.44Å; S594-E597 WeakPolarHBondContact O-CB 3.32Å; S594-E597 PolarHBondContact O-N 2.77Å; S594-E597 VanDerWaalsContact OG-CD 3.28Å; S594-E597 VanDerWaalsContact OG-CG 3.26Å; S594-E597 WeakPolarHBondContact OG-CG 3.42Å; S594-E597 PolarHBondContact OG-N 3.47Å; S594-E597 PolarHBondContact OG-OE2 3.37Å; E597-Q599 VanDerWaalsContact C-N 3.28Å; E597-Q599 PolarHBondContact O-N 3.19Å; E597-K600 CarbonylContact O-C 3.58Å; E597-K600 PolarHBondContact O-N 3.44Å; E597-A601 PolarHBondContact O-N 3.27Å
598	I	78.8	Confident	69.6	Low	78 Å²	78	72.7 Å²	72.7	40%	0.4	40%	0.4	S	S	.	.	H	α-helix	trans	-56.8	-42.6	175.5	-68.3	169.3	0	0	0	111.3	I564 A593 S594 K600 A601	I564-I598 HydrophobicContact CB-CG1 4.33Å; I564-I598 HydrophobicContact CD1-CG2 4.24Å; I564-I598 HydrophobicContact CG2-CG1 4.46Å; A593-I598 HydrophobicContact CB-CD1 4.36Å; A593-I598 HydrophobicContact CB-CG1 3.79Å; S594-I598 WeakPolarHBondContact O-CG1 3.41Å; S594-I598 PolarHBondContact O-N 2.95Å; I598-K600 PolarHBondContact O-N 2.91Å; I598-A601 WeakPolarHBondContact O-CB 3.35Å; I598-A601 PolarHBondContact O-N 3.37Å
599	Q	75.3	Confident	66.5	Low	156 Å²	156	79.7 Å²	79.7	73%	0.729	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.1	177.9	-170.7	177.9	27.1	0	0	113.4	P595 E597	P595-Q599 PolarHBondContact O-N 3.38Å; P595-Q599 VanDerWaalsContact O-N 3.12Å; E597-Q599 VanDerWaalsContact C-N 3.28Å; E597-Q599 PolarHBondContact O-N 3.19Å
600	K	72.3	Confident	63.2	Low	142 Å²	142	82.2 Å²	82.2	62%	0.617	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-14.9	-179.7	-66.1	179.2	-179.2	-177.9	0	113	E597 I598 F602 T603	E597-K600 CarbonylContact O-C 3.58Å; E597-K600 PolarHBondContact O-N 3.44Å; I598-K600 PolarHBondContact O-N 2.91Å; K600-F602 PolarHBondContact O-N 3.41Å; K600-T603 PolarHBondContact O-N 3.1Å; K600-T603 PolarHBondContact O-OG1 3.44Å
601	A	69.8	Low	60.2	Low	12 Å²	12	86.2 Å²	86.2	10%	0.099	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	135.3	179.3	0	0	0	0	0	110.1	L552 I564 E597 I598 T603	L552-A601 HydrophobicContact CD1-CB 3.64Å; I564-A601 HydrophobicContact CD1-CB 3.95Å; I564-A601 HydrophobicContact CG2-CB 4.2Å; E597-A601 PolarHBondContact O-N 3.27Å; I598-A601 WeakPolarHBondContact O-CB 3.35Å; I598-A601 PolarHBondContact O-N 3.37Å; A601-T603 PolarHBondContact O-N 2.75Å
602	F	68.2	Low	57.5	Low	49 Å²	49	91.4 Å²	91.4	22%	0.215	51%	0.508	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	25.4	175.7	-50.6	-84.3	0	0	0	114.1	D529 M554 I564 K600 S604	D529-F602 HydrophobicContact CB-CD1 3.97Å; D529-F602 HydrophobicContact CB-CE1 3.77Å; D529-F602 HydrophobicContact CB-CG 4.48Å; D529-F602 HydrophobicContact CB-CZ 4.1Å; D529-F602 PolarHBondContact OD2-N 2.88Å; M554-F602 HydrophobicContact CB-CE2 4.13Å; M554-F602 HydrophobicContact CB-CZ 3.78Å; M554-F602 HydrophobicContact CE-CD2 4.14Å; M554-F602 HydrophobicContact CE-CE2 3.71Å; M554-F602 HydrophobicContact CE-CZ 4.08Å; I564-F602 HydrophobicContact CD1-CD2 4.3Å; I564-F602 HydrophobicContact CD1-CE2 4.1Å; I564-F602 HydrophobicContact CG1-CE2 4.29Å; K600-F602 PolarHBondContact O-N 3.41Å; F602-S604 VanDerWaalsContact C-N 3.3Å; F602-S604 PolarHBondContact O-N 3.04Å
603	T	58	Low	55.2	Low	104 Å²	104	96.7 Å²	96.7	64%	0.638	53%	0.53	S	S	*	.			trans	-79.8	-5.8	-179.2	44.5	0	0	0	0	114.6	K600 A601	K600-T603 PolarHBondContact O-N 3.1Å; K600-T603 PolarHBondContact O-OG1 3.44Å; A601-T603 PolarHBondContact O-N 2.75Å
604	S	45.5	Very low	52.9	Low	41 Å²	41	101 Å²	101	29%	0.287	56%	0.556	S	S	.	*	S	Bend	trans	-109.9	54.5	177.7	69.5	0	0	0	0	112	E422 C531 F602	E422-S604 WeakPolarHBondContact OE2-CB 3.48Å; E422-S604 PolarHBondContact OE2-OG 2.94Å; C531-S604 WeakPolarHBondContact CB-OG 3.24Å; C531-S604 PolarHBondContact SG-OG 2.66Å; F602-S604 VanDerWaalsContact C-N 3.3Å; F602-S604 PolarHBondContact O-N 3.04Å
605	L	30.7	Very low	51	Low	102 Å²	102	106.8 Å²	106.8	53%	0.534	58%	0.583	S	S	.	*	S	Bend	trans	-127.9	141.8	154.1	-83.8	157.8	0	0	0	106.3	A607 P608	L605-A607 PolarHBondContact O-N 3.37Å; L605-P608 HydrophobicContact CB-CG 4.32Å; L605-P608 HydrophobicContact CD1-CG 4.18Å
606	P	31.9	Very low	50.2	Low	122 Å²	122	102.4 Å²	102.4	79%	0.792	55%	0.554	S	S	*	*	S	Bend	trans	-52.2	121	154.4	-9.1	23.3	0	0	0	105.3	P608	P606-P608 VanDerWaalsContact O-N 3.15Å
607	A	26.8	Very low	50	Low	83 Å²	83	97 Å²	97	69%	0.686	54%	0.536	S	S	*	.			trans	-37.3	118.9	-166.2	0	0	0	0	0	112.8	L605 D609	L605-A607 PolarHBondContact O-N 3.37Å; A607-D609 PolarHBondContact O-N 2.87Å
608	P	32	Very low	49.5	Very low	86 Å²	86	102.6 Å²	102.6	56%	0.558	56%	0.563	S	S	*	*			trans	-70.5	109.9	155.8	-2.4	19.8	0	0	0	105.3	L605 P606 T610	L605-P608 HydrophobicContact CB-CG 4.32Å; L605-P608 HydrophobicContact CD1-CG 4.18Å; P606-P608 VanDerWaalsContact O-N 3.15Å; P608-T610 PolarHBondContact O-N 3.41Å; P608-T610 PolarHBondContact O-OG1 2.73Å
609	D	33.2	Very low	49.3	Very low	154 Å²	154	106.3 Å²	106.3	82%	0.824	58%	0.578	S	S	*	*			trans	-44.9	109.1	170.8	-79.6	-47.2	0	0	0	110.6	A607	A607-D609 PolarHBondContact O-N 2.87Å
610	T	27	Very low	49.6	Very low	99 Å²	99	101.2 Å²	101.2	61%	0.607	56%	0.555	S	S	*	*			trans	-148.8	58.9	159.7	3.2	0	0	0	0	110.5	P608 F612	P608-T610 PolarHBondContact O-N 3.41Å; P608-T610 PolarHBondContact O-OG1 2.73Å; T610-F612 HydrophobicContact CG2-CD2 3.61Å; T610-F612 HydrophobicContact CG2-CE2 3.45Å; T610-F612 VanDerWaalsContact CG2-CE2 3.45Å; T610-F612 HydrophobicContact CG2-CG 4.43Å; T610-F612 HydrophobicContact CG2-CZ 4.17Å
611	S	30.3	Very low	50	Low	84 Å²	84	98.2 Å²	98.2	59%	0.587	54%	0.543	S	S	*	.	S	Bend		-78.2	114.2	124.3	92	0	0	0	0	104.4	K613	S611-K613 PolarHBondContact O-N 3.22Å
612	F	33.2	Very low	50.7	Low	197 Å²	197	104.2 Å²	104.2	86%	0.864	57%	0.569	S	S	*	*			trans	-65.5	75	157.9	-86	-83.6	0	0	0	107.3	T610	T610-F612 HydrophobicContact CG2-CD2 3.61Å; T610-F612 HydrophobicContact CG2-CE2 3.45Å; T610-F612 VanDerWaalsContact CG2-CE2 3.45Å; T610-F612 HydrophobicContact CG2-CG 4.43Å; T610-F612 HydrophobicContact CG2-CZ 4.17Å
613	K	40.1	Very low	51.5	Low	137 Å²	137	104.3 Å²	104.3	60%	0.596	57%	0.57	S	S	*	*			trans	-84.1	127.8	147.3	-78.9	-178.1	178.3	-175.4	0	104.6	S611 L615	S611-K613 PolarHBondContact O-N 3.22Å; K613-L615 PolarHBondContact O-N 2.84Å; K613-L615 VanDerWaalsContact O-N 3.08Å
614	P	37.2	Very low	53	Low	101 Å²	101	99.8 Å²	99.8	66%	0.656	54%	0.543	S	S	*	.			trans	-54.1	123.5	170.8	21.5	-29.1	0	0	0	107.6	L616	P614-L616 PolarHBondContact O-N 3.09Å
615	L	42.3	Very low	54.9	Low	166 Å²	166	103.8 Å²	103.8	87%	0.869	56%	0.555	S	S	*	*			trans	-61	110.7	177.8	-169.8	75.3	0	0	0	106.8	K613 S617	K613-L615 PolarHBondContact O-N 2.84Å; K613-L615 VanDerWaalsContact O-N 3.08Å; L615-S617 PolarHBondContact O-N 3.13Å
616	L	61.5	Low	57.6	Low	21 Å²	21	101.6 Å²	101.6	11%	0.11	55%	0.548	C	S	.	.			trans	-60.8	135.4	175.8	-61.9	-175.8	0	0	0	109	P614 Q620 Q621 V624 Q639 W647	P614-L616 PolarHBondContact O-N 3.09Å; L616-Q620 HydrophobicContact CB-CB 3.89Å; L616-Q620 HydrophobicContact CD2-CB 4.44Å; L616-Q621 HydrophobicContact CB-CG 3.83Å; L616-Q621 PolarHBondContact O-NE2 3.02Å; L616-Q621 VanDerWaalsContact O-NE2 3.13Å; L616-V624 HydrophobicContact CD1-CG2 4.25Å; L616-Q639 HydrophobicContact CD1-CG 4.08Å; L616-W647 HydrophobicContact CD1-CH2 3.65Å; L616-W647 HydrophobicContact CD1-CZ2 4.38Å; L616-W647 HydrophobicContact CD2-CH2 3.3Å; L616-W647 HydrophobicContact CD2-CZ2 3.18Å; L616-W647 HydrophobicContact CD2-CZ3 4.44Å; L616-W647 HydrophobicContact CG-CH2 4.05Å; L616-W647 HydrophobicContact CG-CZ2 4.37Å
617	S	74.4	Confident	60.5	Low	52 Å²	52	96 Å²	96	36%	0.364	51%	0.512	S	S	.	.			trans	-59.1	158.9	172.1	69.1	0	0	0	0	110.9	L615 E619 Q620 Q621	L615-S617 PolarHBondContact O-N 3.13Å; S617-E619 PolarHBondContact O-N 3.19Å; S617-Q620 WeakPolarHBondContact O-CB 3.49Å; S617-Q620 PolarHBondContact O-N 2.91Å; S617-Q620 VanDerWaalsContact OG-CG 3.31Å; S617-Q620 WeakPolarHBondContact OG-CG 3.4Å; S617-Q620 PolarHBondContact OG-N 3.35Å; S617-Q621 WeakPolarHBondContact O-CG 3.45Å; S617-Q621 PolarHBondContact O-N 3.32Å
618	E	70.4	Confident	63.5	Low	169 Å²	169	92.1 Å²	92.1	79%	0.79	48%	0.479	S	S	*	.	H	α-helix	trans	-53.8	-39.6	176.1	-74.9	-175.4	154.9	0	0	111.6	Q620 Q621 E622	E618-Q620 PolarHBondContact O-N 2.65Å; E618-Q621 PolarHBondContact O-N 3.31Å; E618-E622 PolarHBondContact O-N 2.96Å
619	E	76	Confident	66.3	Low	155 Å²	155	93.6 Å²	93.6	72%	0.724	49%	0.486	S	S	*	.	H	α-helix	trans	-60.3	-44.3	174.1	-63.9	176.1	172.4	0	0	112.1	S617 E622 M623	S617-E619 PolarHBondContact O-N 3.19Å; E619-E622 PolarHBondContact O-N 3.24Å; E619-M623 VanDerWaalsContact O-CB 3.22Å; E619-M623 WeakPolarHBondContact O-CB 3.31Å; E619-M623 PolarHBondContact O-N 2.8Å
620	Q	80.9	Confident	68.9	Low	49 Å²	49	93.1 Å²	93.1	23%	0.229	48%	0.479	C	S	.	.	H	α-helix	trans	-67.3	-35.9	177.9	-74.6	176	-25.6	0	0	111.9	L616 S617 E618 M623 V624 W647	L616-Q620 HydrophobicContact CB-CB 3.89Å; L616-Q620 HydrophobicContact CD2-CB 4.44Å; S617-Q620 WeakPolarHBondContact O-CB 3.49Å; S617-Q620 PolarHBondContact O-N 2.91Å; S617-Q620 VanDerWaalsContact OG-CG 3.31Å; S617-Q620 WeakPolarHBondContact OG-CG 3.4Å; S617-Q620 PolarHBondContact OG-N 3.35Å; E618-Q620 PolarHBondContact O-N 2.65Å; Q620-M623 WeakPolarHBondContact O-CB 3.31Å; Q620-M623 PolarHBondContact O-N 3.49Å; Q620-V624 VanDerWaalsContact O-CG2 3.25Å; Q620-V624 WeakPolarHBondContact O-CG2 3.25Å; Q620-V624 PolarHBondContact O-N 3.08Å; Q620-W647 HydrophobicContact CB-CD2 4.48Å; Q620-W647 HydrophobicContact CB-CE3 3.85Å; Q620-W647 HydrophobicContact CB-CH2 3.94Å; Q620-W647 HydrophobicContact CB-CZ3 3.52Å; Q620-W647 HydrophobicContact CG-CD2 3.82Å; Q620-W647 HydrophobicContact CG-CE3 3.55Å; Q620-W647 HydrophobicContact CG-CG 4.46Å; Q620-W647 HydrophobicContact CG-CH2 4.27Å; Q620-W647 HydrophobicContact CG-CZ3 3.78Å
621	Q	80.2	Confident	71.7	Confident	80 Å²	80	88.9 Å²	88.9	37%	0.374	45%	0.454	S	S	.	.	H	α-helix	trans	-68.6	-40.5	176.7	-66.7	-179.4	19.9	0	0	112.3	L616 S617 E618 M623 V624 K625	L616-Q621 HydrophobicContact CB-CG 3.83Å; L616-Q621 PolarHBondContact O-NE2 3.02Å; L616-Q621 VanDerWaalsContact O-NE2 3.13Å; S617-Q621 WeakPolarHBondContact O-CG 3.45Å; S617-Q621 PolarHBondContact O-N 3.32Å; E618-Q621 PolarHBondContact O-N 3.31Å; Q621-M623 VanDerWaalsContact C-N 3.32Å; Q621-V624 PolarHBondContact O-N 3.02Å; Q621-K625 WeakPolarHBondContact O-CG 3.45Å; Q621-K625 PolarHBondContact O-N 2.95Å; Q621-K625 VanDerWaalsContact O-N 3.09Å
622	E	84	Confident	74.2	Confident	137 Å²	137	86.3 Å²	86.3	64%	0.64	44%	0.44	S	S	*	.	H	α-helix	trans	-67.6	-36.8	175.5	-167.9	164.8	-156.3	0	0	111.4	E618 E619 K625 S626	E618-E622 PolarHBondContact O-N 2.96Å; E619-E622 PolarHBondContact O-N 3.24Å; E622-K625 PolarHBondContact O-N 3.26Å; E622-S626 WeakPolarHBondContact O-CB 3.48Å; E622-S626 PolarHBondContact O-N 3.19Å; E622-S626 PolarHBondContact O-OG 3.18Å
623	M	86.9	Confident	76.6	Confident	51 Å²	51	77.4 Å²	77.4	25%	0.251	40%	0.402	S	S	.	.	H	α-helix	trans	-62.3	-44.6	173.5	-166.2	-179.6	-69.2	0	0	112	E619 Q620 Q621 K625 S626 F627 L642 W647 Y649	E619-M623 VanDerWaalsContact O-CB 3.22Å; E619-M623 WeakPolarHBondContact O-CB 3.31Å; E619-M623 PolarHBondContact O-N 2.8Å; Q620-M623 WeakPolarHBondContact O-CB 3.31Å; Q620-M623 PolarHBondContact O-N 3.49Å; Q621-M623 VanDerWaalsContact C-N 3.32Å; M623-K625 PolarHBondContact O-N 2.94Å; M623-S626 PolarHBondContact O-N 3.44Å; M623-F627 VanDerWaalsContact O-CB 3.31Å; M623-F627 WeakPolarHBondContact O-CB 3.35Å; M623-F627 PolarHBondContact O-N 2.91Å; M623-L642 HydrophobicContact CG-CD1 4.02Å; M623-L642 HydrophobicContact CG-CD2 4.13Å; M623-L642 HydrophobicContact SD-CD2 3.97Å; M623-W647 HydrophobicContact SD-CE3 4.24Å; M623-Y649 HydrophobicContact CG-CD2 3.37Å; M623-Y649 HydrophobicContact CG-CE2 3.96Å; M623-Y649 HydrophobicContact CG-CG 4.39Å; M623-Y649 HydrophobicContact SD-CD2 4.12Å
624	V	87.8	Confident	78.8	Confident	10 Å²	10	75 Å²	75	6%	0.061	39%	0.391	C	S	.	.	H	α-helix	trans	-61.7	-43.8	175.4	171.5	0	0	0	0	111.6	L616 Q620 Q621 F627 S628 L635 Q639 L642 W647	L616-V624 HydrophobicContact CD1-CG2 4.25Å; Q620-V624 VanDerWaalsContact O-CG2 3.25Å; Q620-V624 WeakPolarHBondContact O-CG2 3.25Å; Q620-V624 PolarHBondContact O-N 3.08Å; Q621-V624 PolarHBondContact O-N 3.02Å; V624-F627 PolarHBondContact O-N 2.98Å; V624-S628 WeakPolarHBondContact O-CB 3.39Å; V624-S628 PolarHBondContact O-N 3.22Å; V624-L635 HydrophobicContact CG1-CD2 4.01Å; V624-Q639 HydrophobicContact CG1-CB 3.99Å; V624-Q639 HydrophobicContact CG2-CB 3.88Å; V624-Q639 HydrophobicContact CG2-CG 4.22Å; V624-L642 HydrophobicContact CB-CD1 4.35Å; V624-L642 HydrophobicContact CG2-CD1 3.79Å; V624-W647 HydrophobicContact CG2-CH2 3.96Å; V624-W647 HydrophobicContact CG2-CZ3 3.76Å
625	K	86.2	Confident	80.7	Confident	125 Å²	125	74.4 Å²	74.4	54%	0.543	38%	0.382	S	S	.	.	H	α-helix	trans	-62.5	-47	178	-72.2	170.4	-174.6	171.3	0	111	Q621 E622 M623 S628 V629 L635	Q621-K625 WeakPolarHBondContact O-CG 3.45Å; Q621-K625 PolarHBondContact O-N 2.95Å; Q621-K625 VanDerWaalsContact O-N 3.09Å; E622-K625 PolarHBondContact O-N 3.26Å; M623-K625 PolarHBondContact O-N 2.94Å; K625-S628 PolarHBondContact O-N 3.01Å; K625-V629 WeakPolarHBondContact O-CG2 3.49Å; K625-V629 PolarHBondContact O-N 3.01Å; K625-V629 VanDerWaalsContact O-N 3.11Å; K625-L635 HydrophobicContact CG-CD2 4.31Å
626	S	87.8	Confident	82.3	Confident	56 Å²	56	71.8 Å²	71.8	39%	0.392	37%	0.369	S	S	.	.	H	α-helix	trans	-62.5	-45.9	178.9	-59.4	0	0	0	0	111.6	E622 M623 S628 V629 Q630 Y649	E622-S626 WeakPolarHBondContact O-CB 3.48Å; E622-S626 PolarHBondContact O-N 3.19Å; E622-S626 PolarHBondContact O-OG 3.18Å; M623-S626 PolarHBondContact O-N 3.44Å; S626-S628 VanDerWaalsContact C-N 3.35Å; S626-S628 PolarHBondContact O-N 3.43Å; S626-V629 PolarHBondContact O-N 3.09Å; S626-Q630 PolarHBondContact O-N 3.27Å; S626-Y649 PolarHBondContact O-OH 3.48Å
627	F	91.6	Very high	83.4	Confident	4 Å²	4	75 Å²	75	2%	0.018	38%	0.38	C	S	.	.	H	α-helix	trans	-65.5	-37.8	179.1	-158.9	-90.7	0	0	0	112.1	M623 V624 V629 Q630 S631 C641 L642 Y649 A652 F656	M623-F627 VanDerWaalsContact O-CB 3.31Å; M623-F627 WeakPolarHBondContact O-CB 3.35Å; M623-F627 PolarHBondContact O-N 2.91Å; V624-F627 PolarHBondContact O-N 2.98Å; F627-V629 VanDerWaalsContact C-N 3.31Å; F627-V629 PolarHBondContact O-N 2.89Å; F627-Q630 PolarHBondContact O-N 2.96Å; F627-S631 VanDerWaalsContact O-CB 3.3Å; F627-S631 WeakPolarHBondContact O-CB 3.39Å; F627-S631 PolarHBondContact O-N 3.38Å; F627-S631 PolarHBondContact O-OG 3.37Å; F627-C641 HydrophobicContact CE1-CB 4.19Å; F627-L642 HydrophobicContact CB-CD1 3.86Å; F627-L642 HydrophobicContact CB-CG 4.4Å; F627-L642 HydrophobicContact CD2-CD2 4.01Å; F627-L642 HydrophobicContact CD2-CG 4.44Å; F627-L642 HydrophobicContact CE2-CD2 4.45Å; F627-L642 HydrophobicContact CG-CD1 4.22Å; F627-L642 HydrophobicContact CG-CD2 4.27Å; F627-L642 HydrophobicContact CG-CG 4.22Å; F627-Y649 WeakPolarHBondContact CA-OH 3.49Å; F627-Y649 HydrophobicContact CB-CD2 4.46Å; F627-Y649 HydrophobicContact CB-CE2 3.7Å; F627-Y649 AromaticContact CD2-CD2 3.88Å; F627-Y649 HydrophobicContact CD2-CD2 3.88Å; F627-Y649 HydrophobicContact CD2-CE1 4.33Å; F627-Y649 AromaticContact CD2-CE2 3.6Å; F627-Y649 HydrophobicContact CD2-CE2 3.6Å; F627-Y649 HydrophobicContact CD2-CG 4.44Å; F627-Y649 AromaticContact CD2-CZ 3.81Å; F627-Y649 HydrophobicContact CG-CE2 4.15Å; F627-Y649 PolarHBondContact N-OH 3.35Å; F627-A652 HydrophobicContact CE2-CB 3.78Å; F627-A652 HydrophobicContact CZ-CB 3.93Å; F627-A652 WeakPolarHBondContact CZ-O 3.21Å; F627-F656 HydrophobicContact CE1-CB 4.46Å; F627-F656 HydrophobicContact CZ-CB 4.08Å
628	S	90.9	Very high	84	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.007	36%	0.362	C	S	.	.	H	α-helix	trans	-66.3	-30.5	176	177.8	0	0	0	0	113.5	V624 K625 S626 G632 M633 S638 K671	V624-S628 WeakPolarHBondContact O-CB 3.39Å; V624-S628 PolarHBondContact O-N 3.22Å; K625-S628 PolarHBondContact O-N 3.01Å; S626-S628 VanDerWaalsContact C-N 3.35Å; S626-S628 PolarHBondContact O-N 3.43Å; S628-G632 PolarHBondContact O-N 3.11Å; S628-M633 PolarHBondContact OG-O 3.5Å; S628-S638 WeakPolarHBondContact CA-OG 3.47Å; S628-S638 VanDerWaalsContact CB-OG 3.27Å; S628-S638 WeakPolarHBondContact CB-OG 3.41Å; S628-K671 PolarHBondContact O-NZ 3.09Å; S628-K671 VanDerWaalsContact OG-CE 3.31Å; S628-K671 WeakPolarHBondContact OG-CE 3.28Å; S628-K671 PolarHBondContact OG-NZ 3.49Å
629	V	90.1	Very high	84.6	Confident	117 Å²	117	66.3 Å²	66.3	71%	0.709	33%	0.333	S	S	*	.	H	α-helix	trans	-74.4	-44.2	173.1	172.9	0	0	0	0	110.2	K625 S626 F627	K625-V629 WeakPolarHBondContact O-CG2 3.49Å; K625-V629 PolarHBondContact O-N 3.01Å; K625-V629 VanDerWaalsContact O-N 3.11Å; S626-V629 PolarHBondContact O-N 3.09Å; F627-V629 VanDerWaalsContact C-N 3.31Å; F627-V629 PolarHBondContact O-N 2.89Å
630	Q	87.4	Confident	85	Confident	144 Å²	144	63.1 Å²	63.1	67%	0.673	32%	0.317	S	S	*	.	H	α-helix	trans	-72.1	-39.2	-176.1	-169.7	173.6	4.3	0	0	113.6	S626 F627 Y649	S626-Q630 PolarHBondContact O-N 3.27Å; F627-Q630 PolarHBondContact O-N 2.96Å; Q630-Y649 VanDerWaalsContact OE1-CE1 3.32Å; Q630-Y649 PolarHBondContact OE1-OH 2.82Å
631	S	86.3	Confident	85.1	Confident	10 Å²	10	61.7 Å²	61.7	7%	0.07	31%	0.312	C	S	.	.	H	α-helix	trans	-85.7	-16.1	-179.9	61.7	0	0	0	0	113.8	F627 M633 F656 F670	F627-S631 VanDerWaalsContact O-CB 3.3Å; F627-S631 WeakPolarHBondContact O-CB 3.39Å; F627-S631 PolarHBondContact O-N 3.38Å; F627-S631 PolarHBondContact O-OG 3.37Å; S631-M633 PolarHBondContact O-N 2.92Å; S631-M633 WeakPolarHBondContact OG-CB 3.27Å; S631-M633 PolarHBondContact OG-N 3.5Å; S631-F656 WeakPolarHBondContact O-CZ 3.43Å; S631-F670 WeakPolarHBondContact O-CE1 3.4Å
632	G	83.4	Confident	85.4	Confident	30 Å²	30	57.9 Å²	57.9	31%	0.309	30%	0.295	S	S	.	.			trans	69.5	5	-170.9	0	0	0	0	0	114.4	S628 K671	S628-G632 PolarHBondContact O-N 3.11Å; G632-K671 PolarHBondContact O-N 3.13Å
633	M	83.9	Confident	85.5	Confident	10 Å²	10	55 Å²	55	5%	0.049	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-76.1	153.7	178.7	-64.8	179.8	81.1	0	0	112.1	S628 S631 W637 S638 F656 I665 F669 F670 K671	S628-M633 PolarHBondContact OG-O 3.5Å; S631-M633 PolarHBondContact O-N 2.92Å; S631-M633 WeakPolarHBondContact OG-CB 3.27Å; S631-M633 PolarHBondContact OG-N 3.5Å; M633-W637 HydrophobicContact CE-CB 3.52Å; M633-W637 HydrophobicContact CE-CG 4.45Å; M633-S638 WeakPolarHBondContact CB-OG 3.48Å; M633-F656 HydrophobicContact CG-CD2 4.44Å; M633-F656 HydrophobicContact CG-CE2 3.79Å; M633-F656 HydrophobicContact CG-CZ 4.46Å; M633-F656 HydrophobicContact SD-CD2 3.49Å; M633-F656 WeakPolarHBondContact SD-CD2 3.49Å; M633-F656 HydrophobicContact SD-CE2 3.41Å; M633-F656 WeakPolarHBondContact SD-CE2 3.3Å; M633-F656 HydrophobicContact SD-CZ 4.49Å; M633-I665 HydrophobicContact CE-CG2 4.38Å; M633-F669 WeakPolarHBondContact CA-O 3.36Å; M633-F669 HydrophobicContact CE-CB 4.16Å; M633-F670 HydrophobicContact CG-CD1 3.81Å; M633-F670 HydrophobicContact CG-CE1 3.58Å; M633-F670 HydrophobicContact CG-CZ 4.3Å; M633-K671 VanDerWaalsContact O-CE 3.31Å; M633-K671 WeakPolarHBondContact O-CE 3.15Å
634	K	84.9	Confident	85.3	Confident	87 Å²	87	57.5 Å²	57.5	38%	0.378	30%	0.295	S	S	.	.			trans	-64.1	149.5	169.5	-67.6	170.8	179.6	157.5	0	110.3	D636 W637 S638 E668 F669 F670 K671	K634-D636 VanDerWaalsContact C-N 3.28Å; K634-D636 PolarHBondContact O-N 3.49Å; K634-W637 PolarHBondContact O-N 3.09Å; K634-S638 PolarHBondContact O-N 3.01Å; K634-S638 PolarHBondContact O-OG 2.63Å; K634-E668 PolarHBondContact NZ-O 3.2Å; K634-F669 PolarHBondContact N-O 3.02Å; K634-F670 VanDerWaalsContact CE-O 3.22Å; K634-F670 WeakPolarHBondContact CE-O 3.42Å; K634-K671 HydrophobicContact CG-CG 4.11Å
635	L	78.8	Confident	85.3	Confident	88 Å²	88	58.4 Å²	58.4	46%	0.461	30%	0.3	S	S	.	.	H	α-helix	trans	-54	-41.4	-172.5	-74.8	167.4	0	0	0	113.3	V624 K625 W637 S638 Q639	V624-L635 HydrophobicContact CG1-CD2 4.01Å; K625-L635 HydrophobicContact CG-CD2 4.31Å; L635-W637 VanDerWaalsContact C-N 3.29Å; L635-W637 PolarHBondContact O-N 3.42Å; L635-S638 PolarHBondContact O-N 2.9Å; L635-Q639 WeakPolarHBondContact O-CB 3.44Å; L635-Q639 PolarHBondContact O-N 3.35Å
636	D	75.6	Confident	85.4	Confident	111 Å²	111	59.6 Å²	59.6	59%	0.594	31%	0.308	S	S	*	.	H	α-helix	trans	-62.3	-36.5	-179.8	-59.8	-50.8	0	0	0	112.5	K634 K640	K634-D636 VanDerWaalsContact C-N 3.28Å; K634-D636 PolarHBondContact O-N 3.49Å; D636-K640 PolarHBondContact O-N 3.32Å; D636-K640 VanDerWaalsContact O-N 3.09Å
637	W	84.8	Confident	85.3	Confident	89 Å²	89	59.6 Å²	59.6	34%	0.337	30%	0.299	S	S	.	.	H	α-helix	trans	-83	-31.1	179.4	-66.4	108.6	0	0	0	112.7	M633 K634 L635 Q639 K640 C641 F669	M633-W637 HydrophobicContact CE-CB 3.52Å; M633-W637 HydrophobicContact CE-CG 4.45Å; K634-W637 PolarHBondContact O-N 3.09Å; L635-W637 VanDerWaalsContact C-N 3.29Å; L635-W637 PolarHBondContact O-N 3.42Å; W637-Q639 VanDerWaalsContact C-N 3.33Å; W637-K640 HydrophobicContact CE3-CB 4.47Å; W637-K640 HydrophobicContact CE3-CD 3.93Å; W637-K640 HydrophobicContact CZ3-CD 3.71Å; W637-K640 PolarHBondContact O-N 3.32Å; W637-C641 WeakPolarHBondContact O-CB 3.41Å; W637-C641 PolarHBondContact O-N 2.89Å; W637-F669 HydrophobicContact CB-CB 4.47Å; W637-F669 AromaticContact CD1-CD1 3.9Å; W637-F669 HydrophobicContact CD2-CB 4.37Å; W637-F669 AromaticContact CD2-CD1 3.91Å; W637-F669 HydrophobicContact CD2-CD1 3.91Å; W637-F669 HydrophobicContact CD2-CD2 4.19Å; W637-F669 HydrophobicContact CD2-CE1 4.27Å; W637-F669 HydrophobicContact CD2-CE2 4.49Å; W637-F669 AromaticContact CD2-CG 3.9Å; W637-F669 HydrophobicContact CD2-CG 3.9Å; W637-F669 AromaticContact CE2-CD1 3.33Å; W637-F669 AromaticContact CE2-CE1 3.51Å; W637-F669 AromaticContact CE2-CG 3.83Å; W637-F669 HydrophobicContact CE3-CD2 4.28Å; W637-F669 HydrophobicContact CE3-CE2 4.3Å; W637-F669 HydrophobicContact CE3-CG 4.45Å; W637-F669 HydrophobicContact CG-CB 4Å; W637-F669 HydrophobicContact CG-CD1 4.26Å; W637-F669 HydrophobicContact CG-CG 4.06Å; W637-F669 HydrophobicContact CH2-CD1 4.37Å; W637-F669 AromaticContact CH2-CE1 3.76Å; W637-F669 HydrophobicContact CH2-CE1 3.76Å; W637-F669 HydrophobicContact CH2-CE2 4.14Å; W637-F669 AromaticContact CH2-CZ 3.62Å; W637-F669 HydrophobicContact CH2-CZ 3.62Å; W637-F669 AromaticContact CZ2-CD1 3.62Å; W637-F669 HydrophobicContact CZ2-CD1 3.62Å; W637-F669 AromaticContact CZ2-CE1 3.24Å; W637-F669 HydrophobicContact CZ2-CE1 3.24Å; W637-F669 HydrophobicContact CZ2-CE2 4.33Å; W637-F669 HydrophobicContact CZ2-CG 4.36Å; W637-F669 AromaticContact CZ2-CZ 3.64Å; W637-F669 HydrophobicContact CZ2-CZ 3.64Å; W637-F669 HydrophobicContact CZ3-CE1 4.43Å; W637-F669 HydrophobicContact CZ3-CE2 4.11Å; W637-F669 HydrophobicContact CZ3-CZ 4.07Å; W637-F669 AromaticContact NE1-CD1 3.32Å; W637-F669 VanDerWaalsContact NE1-CD1 3.32Å; W637-F669 AromaticContact NE1-CE1 3.9Å; W637-F669 AromaticContact NE1-CG 3.89Å
638	S	86.1	Confident	85.2	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.6	-41.4	169.5	-56.5	0	0	0	0	111.4	S628 M633 K634 L635 C641 L642	S628-S638 WeakPolarHBondContact CA-OG 3.47Å; S628-S638 VanDerWaalsContact CB-OG 3.27Å; S628-S638 WeakPolarHBondContact CB-OG 3.41Å; M633-S638 WeakPolarHBondContact CB-OG 3.48Å; K634-S638 PolarHBondContact O-N 3.01Å; K634-S638 PolarHBondContact O-OG 2.63Å; L635-S638 PolarHBondContact O-N 2.9Å; S638-C641 PolarHBondContact O-N 3.43Å; S638-L642 WeakPolarHBondContact O-CG 3.49Å; S638-L642 PolarHBondContact O-N 3.25Å; S638-L642 VanDerWaalsContact O-N 3.09Å
639	Q	84.3	Confident	85.1	Confident	38 Å²	38	66.1 Å²	66.1	18%	0.178	33%	0.33	C	S	.	.	H	α-helix	trans	-61.3	-45.4	172.3	177.7	175.8	-17	0	0	111.6	L616 V624 L635 W637 C641 L642 Q643 W647	L616-Q639 HydrophobicContact CD1-CG 4.08Å; V624-Q639 HydrophobicContact CG1-CB 3.99Å; V624-Q639 HydrophobicContact CG2-CB 3.88Å; V624-Q639 HydrophobicContact CG2-CG 4.22Å; L635-Q639 WeakPolarHBondContact O-CB 3.44Å; L635-Q639 PolarHBondContact O-N 3.35Å; W637-Q639 VanDerWaalsContact C-N 3.33Å; Q639-C641 PolarHBondContact O-N 2.86Å; Q639-L642 PolarHBondContact O-N 3.32Å; Q639-Q643 HydrophobicContact CG-CG 4.38Å; Q639-Q643 VanDerWaalsContact NE2-NE2 3.2Å; Q639-Q643 WeakPolarHBondContact O-CB 3.38Å; Q639-Q643 VanDerWaalsContact O-CG 3.28Å; Q639-Q643 WeakPolarHBondContact O-CG 3.22Å; Q639-Q643 PolarHBondContact O-N 3.45Å; Q639-W647 HydrophobicContact CG-CH2 4.25Å
640	K	84.1	Confident	85	Confident	88 Å²	88	65 Å²	65	38%	0.383	32%	0.323	S	S	.	.	H	α-helix	trans	-62.5	-42.3	177.9	-175.8	164.5	171.6	45.1	0	112.8	D636 W637 L642 Q643 D644	D636-K640 PolarHBondContact O-N 3.32Å; D636-K640 VanDerWaalsContact O-N 3.09Å; W637-K640 HydrophobicContact CE3-CB 4.47Å; W637-K640 HydrophobicContact CE3-CD 3.93Å; W637-K640 HydrophobicContact CZ3-CD 3.71Å; W637-K640 PolarHBondContact O-N 3.32Å; K640-L642 PolarHBondContact O-N 3.22Å; K640-Q643 PolarHBondContact O-N 3.35Å; K640-D644 WeakPolarHBondContact CG-OD2 3.31Å; K640-D644 IonicContact NZ-OD1 3.86Å; K640-D644 PolarHBondContact NZ-OD1 2.9Å; K640-D644 IonicContact NZ-OD2 2.66Å; K640-D644 PolarHBondContact NZ-OD2 3.45Å; K640-D644 WeakPolarHBondContact O-CB 3.31Å; K640-D644 VanDerWaalsContact O-CG 3.23Å; K640-D644 PolarHBondContact O-N 3.2Å
641	C	82.6	Confident	85.2	Confident	20 Å²	20	62.4 Å²	62.4	14%	0.135	31%	0.31	C	S	.	.	H	α-helix	trans	-61.5	-42.8	176.9	-170.2	0	0	0	0	112	F627 W637 S638 Q639 N645	F627-C641 HydrophobicContact CE1-CB 4.19Å; W637-C641 WeakPolarHBondContact O-CB 3.41Å; W637-C641 PolarHBondContact O-N 2.89Å; S638-C641 PolarHBondContact O-N 3.43Å; Q639-C641 PolarHBondContact O-N 2.86Å; C641-N645 PolarHBondContact O-N 3.33Å; C641-N645 PolarHBondContact O-ND2 3.24Å
642	L	85.9	Confident	85.4	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-67.4	-40.3	176.2	-71.9	164.8	0	0	0	111.8	M623 V624 F627 S638 Q639 K640 N645 E646 W647 Y649 A652	M623-L642 HydrophobicContact CG-CD1 4.02Å; M623-L642 HydrophobicContact CG-CD2 4.13Å; M623-L642 HydrophobicContact SD-CD2 3.97Å; V624-L642 HydrophobicContact CB-CD1 4.35Å; V624-L642 HydrophobicContact CG2-CD1 3.79Å; F627-L642 HydrophobicContact CB-CD1 3.86Å; F627-L642 HydrophobicContact CB-CG 4.4Å; F627-L642 HydrophobicContact CD2-CD2 4.01Å; F627-L642 HydrophobicContact CD2-CG 4.44Å; F627-L642 HydrophobicContact CE2-CD2 4.45Å; F627-L642 HydrophobicContact CG-CD1 4.22Å; F627-L642 HydrophobicContact CG-CD2 4.27Å; F627-L642 HydrophobicContact CG-CG 4.22Å; S638-L642 WeakPolarHBondContact O-CG 3.49Å; S638-L642 PolarHBondContact O-N 3.25Å; S638-L642 VanDerWaalsContact O-N 3.09Å; Q639-L642 PolarHBondContact O-N 3.32Å; K640-L642 PolarHBondContact O-N 3.22Å; L642-N645 CarbonylContact O-C 3.54Å; L642-N645 PolarHBondContact O-N 2.93Å; L642-E646 PolarHBondContact O-N 3.44Å; L642-W647 HydrophobicContact CB-CD2 4.48Å; L642-W647 HydrophobicContact CB-CE3 3.94Å; L642-W647 HydrophobicContact CB-CZ3 4.05Å; L642-W647 HydrophobicContact CD1-CZ3 4.3Å; L642-W647 WeakPolarHBondContact O-CA 3.45Å; L642-W647 PolarHBondContact O-N 2.87Å; L642-Y649 HydrophobicContact CD2-CD2 4.12Å; L642-A652 HydrophobicContact CD2-CB 3.8Å
643	Q	85.4	Confident	85.7	Confident	75 Å²	75	61.5 Å²	61.5	35%	0.35	30%	0.302	S	S	.	.	H	α-helix	trans	-63.8	-46.2	176	-76.2	176.8	-20	0	0	112.6	Q639 K640 N645 E646 W647	Q639-Q643 HydrophobicContact CG-CG 4.38Å; Q639-Q643 VanDerWaalsContact NE2-NE2 3.2Å; Q639-Q643 WeakPolarHBondContact O-CB 3.38Å; Q639-Q643 VanDerWaalsContact O-CG 3.28Å; Q639-Q643 WeakPolarHBondContact O-CG 3.22Å; Q639-Q643 PolarHBondContact O-N 3.45Å; K640-Q643 PolarHBondContact O-N 3.35Å; Q643-N645 PolarHBondContact O-N 2.71Å; Q643-E646 PolarHBondContact O-N 3.15Å; Q643-E646 VanDerWaalsContact O-N 3.15Å; Q643-W647 HydrophobicContact CG-CH2 4.18Å; Q643-W647 HydrophobicContact CG-CZ2 3.34Å
644	D	83.3	Confident	86	Confident	104 Å²	104	67.5 Å²	67.5	56%	0.556	33%	0.329	S	S	*	.	H	α-helix	trans	-67.9	-15.5	-179.3	-67.1	-18.5	0	0	0	111.6	K640	K640-D644 WeakPolarHBondContact CG-OD2 3.31Å; K640-D644 IonicContact NZ-OD1 3.86Å; K640-D644 PolarHBondContact NZ-OD1 2.9Å; K640-D644 IonicContact NZ-OD2 2.66Å; K640-D644 PolarHBondContact NZ-OD2 3.45Å; K640-D644 WeakPolarHBondContact O-CB 3.31Å; K640-D644 VanDerWaalsContact O-CG 3.23Å; K640-D644 PolarHBondContact O-N 3.2Å
645	N	88.7	Confident	86.1	Confident	29 Å²	29	64.8 Å²	64.8	16%	0.155	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	27.7	174.9	-68.5	-80.3	0	0	0	113.4	C641 L642 Q643 W647 D648 A652	C641-N645 PolarHBondContact O-N 3.33Å; C641-N645 PolarHBondContact O-ND2 3.24Å; L642-N645 CarbonylContact O-C 3.54Å; L642-N645 PolarHBondContact O-N 2.93Å; Q643-N645 PolarHBondContact O-N 2.71Å; N645-W647 PolarHBondContact O-N 2.79Å; N645-W647 VanDerWaalsContact O-N 3.15Å; N645-D648 PolarHBondContact O-N 3.29Å; N645-D648 VanDerWaalsContact O-N 3.15Å; N645-A652 HydrophobicContact CB-CB 3.94Å
646	E	87.3	Confident	86.7	Confident	151 Å²	151	61.2 Å²	61.2	71%	0.706	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	27.1	171.3	-55.2	169.6	145.3	0	0	114.4	L642 Q643 D648 K651	L642-E646 PolarHBondContact O-N 3.44Å; Q643-E646 PolarHBondContact O-N 3.15Å; Q643-E646 VanDerWaalsContact O-N 3.15Å; E646-D648 PolarHBondContact O-N 3.3Å; E646-K651 IonicContact OE2-NZ 2.84Å; E646-K651 PolarHBondContact OE2-NZ 3.47Å; E646-K651 VanDerWaalsContact OE2-NZ 3.13Å
647	W	86.9	Confident	87.4	Confident	55 Å²	55	59 Å²	59	21%	0.208	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	18.7	-176.8	-61.2	90.8	0	0	0	115.4	L616 Q620 M623 V624 Q639 L642 Q643 N645 Y649	L616-W647 HydrophobicContact CD1-CH2 3.65Å; L616-W647 HydrophobicContact CD1-CZ2 4.38Å; L616-W647 HydrophobicContact CD2-CH2 3.3Å; L616-W647 HydrophobicContact CD2-CZ2 3.18Å; L616-W647 HydrophobicContact CD2-CZ3 4.44Å; L616-W647 HydrophobicContact CG-CH2 4.05Å; L616-W647 HydrophobicContact CG-CZ2 4.37Å; Q620-W647 HydrophobicContact CB-CD2 4.48Å; Q620-W647 HydrophobicContact CB-CE3 3.85Å; Q620-W647 HydrophobicContact CB-CH2 3.94Å; Q620-W647 HydrophobicContact CB-CZ3 3.52Å; Q620-W647 HydrophobicContact CG-CD2 3.82Å; Q620-W647 HydrophobicContact CG-CE3 3.55Å; Q620-W647 HydrophobicContact CG-CG 4.46Å; Q620-W647 HydrophobicContact CG-CH2 4.27Å; Q620-W647 HydrophobicContact CG-CZ3 3.78Å; M623-W647 HydrophobicContact SD-CE3 4.24Å; V624-W647 HydrophobicContact CG2-CH2 3.96Å; V624-W647 HydrophobicContact CG2-CZ3 3.76Å; Q639-W647 HydrophobicContact CG-CH2 4.25Å; L642-W647 HydrophobicContact CB-CD2 4.48Å; L642-W647 HydrophobicContact CB-CE3 3.94Å; L642-W647 HydrophobicContact CB-CZ3 4.05Å; L642-W647 HydrophobicContact CD1-CZ3 4.3Å; L642-W647 WeakPolarHBondContact O-CA 3.45Å; L642-W647 PolarHBondContact O-N 2.87Å; Q643-W647 HydrophobicContact CG-CH2 4.18Å; Q643-W647 HydrophobicContact CG-CZ2 3.34Å; N645-W647 PolarHBondContact O-N 2.79Å; N645-W647 VanDerWaalsContact O-N 3.15Å; W647-Y649 PolarHBondContact O-N 2.89Å
648	D	88.3	Confident	87.6	Confident	76 Å²	76	57 Å²	57	41%	0.406	30%	0.297	S	S	.	.			trans	-84	109.5	169.6	-174.6	-35.1	0	0	0	110.3	N645 E646 T650 K651 A652	N645-D648 PolarHBondContact O-N 3.29Å; N645-D648 VanDerWaalsContact O-N 3.15Å; E646-D648 PolarHBondContact O-N 3.3Å; D648-T650 VanDerWaalsContact C-N 3.31Å; D648-T650 PolarHBondContact O-N 3.31Å; D648-T650 PolarHBondContact OD1-N 3.26Å; D648-K651 HydrophobicContact CB-CB 3.84Å; D648-K651 HydrophobicContact CB-CD 4.41Å; D648-K651 PolarHBondContact O-N 3.47Å; D648-K651 PolarHBondContact OD1-N 3.41Å; D648-K651 VanDerWaalsContact OD1-N 3.09Å; D648-A652 VanDerWaalsContact O-CB 3.25Å; D648-A652 WeakPolarHBondContact O-CB 3.38Å; D648-A652 PolarHBondContact O-N 3.01Å
649	Y	88.8	Confident	87.6	Confident	67 Å²	67	60.7 Å²	60.7	26%	0.263	32%	0.317	S	S	.	.	H	α-helix	trans	-61.1	-36.6	-176.3	-164.8	-92.7	0	0	0	113.5	M623 S626 F627 Q630 L642 W647 G653	M623-Y649 HydrophobicContact CG-CD2 3.37Å; M623-Y649 HydrophobicContact CG-CE2 3.96Å; M623-Y649 HydrophobicContact CG-CG 4.39Å; M623-Y649 HydrophobicContact SD-CD2 4.12Å; S626-Y649 PolarHBondContact O-OH 3.48Å; F627-Y649 WeakPolarHBondContact CA-OH 3.49Å; F627-Y649 HydrophobicContact CB-CD2 4.46Å; F627-Y649 HydrophobicContact CB-CE2 3.7Å; F627-Y649 AromaticContact CD2-CD2 3.88Å; F627-Y649 HydrophobicContact CD2-CD2 3.88Å; F627-Y649 HydrophobicContact CD2-CE1 4.33Å; F627-Y649 AromaticContact CD2-CE2 3.6Å; F627-Y649 HydrophobicContact CD2-CE2 3.6Å; F627-Y649 HydrophobicContact CD2-CG 4.44Å; F627-Y649 AromaticContact CD2-CZ 3.81Å; F627-Y649 HydrophobicContact CG-CE2 4.15Å; F627-Y649 PolarHBondContact N-OH 3.35Å; Q630-Y649 VanDerWaalsContact OE1-CE1 3.32Å; Q630-Y649 PolarHBondContact OE1-OH 2.82Å; L642-Y649 HydrophobicContact CD2-CD2 4.12Å; W647-Y649 PolarHBondContact O-N 2.89Å; Y649-G653 PolarHBondContact O-N 3.28Å; Y649-G653 VanDerWaalsContact O-N 3.11Å
650	T	88.9	Confident	87.7	Confident	93 Å²	93	63.1 Å²	63.1	57%	0.571	33%	0.328	S	S	*	.	H	α-helix	trans	-74.7	-47.4	-176.2	-48.9	0	0	0	0	109.6	D648 A652 G653 E654	D648-T650 VanDerWaalsContact C-N 3.31Å; D648-T650 PolarHBondContact O-N 3.31Å; D648-T650 PolarHBondContact OD1-N 3.26Å; T650-A652 VanDerWaalsContact C-N 3.34Å; T650-A652 PolarHBondContact O-N 3.26Å; T650-G653 PolarHBondContact O-N 3.44Å; T650-G653 VanDerWaalsContact O-N 3.13Å; T650-E654 PolarHBondContact O-N 2.84Å
651	K	90.3	Very high	87.7	Confident	90 Å²	90	65.2 Å²	65.2	39%	0.391	34%	0.343	S	S	.	.	H	α-helix	trans	-61.6	-41.5	177.1	-169.3	179.9	175.7	-173.8	0	111.8	E646 D648 G653 E654 A655	E646-K651 IonicContact OE2-NZ 2.84Å; E646-K651 PolarHBondContact OE2-NZ 3.47Å; E646-K651 VanDerWaalsContact OE2-NZ 3.13Å; D648-K651 HydrophobicContact CB-CB 3.84Å; D648-K651 HydrophobicContact CB-CD 4.41Å; D648-K651 PolarHBondContact O-N 3.47Å; D648-K651 PolarHBondContact OD1-N 3.41Å; D648-K651 VanDerWaalsContact OD1-N 3.09Å; K651-G653 VanDerWaalsContact C-N 3.33Å; K651-G653 PolarHBondContact O-N 3.04Å; K651-E654 PolarHBondContact O-N 3.45Å; K651-A655 WeakPolarHBondContact O-CB 3.45Å; K651-A655 PolarHBondContact O-N 3.3Å
652	A	90.9	Very high	87.8	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-62.5	-39.2	174.4	0	0	0	0	0	112.3	F627 L642 N645 D648 T650 F656	F627-A652 HydrophobicContact CE2-CB 3.78Å; F627-A652 HydrophobicContact CZ-CB 3.93Å; F627-A652 WeakPolarHBondContact CZ-O 3.21Å; L642-A652 HydrophobicContact CD2-CB 3.8Å; N645-A652 HydrophobicContact CB-CB 3.94Å; D648-A652 VanDerWaalsContact O-CB 3.25Å; D648-A652 WeakPolarHBondContact O-CB 3.38Å; D648-A652 PolarHBondContact O-N 3.01Å; T650-A652 VanDerWaalsContact C-N 3.34Å; T650-A652 PolarHBondContact O-N 3.26Å; A652-F656 VanDerWaalsContact O-CB 3.26Å; A652-F656 WeakPolarHBondContact O-CB 3.28Å; A652-F656 PolarHBondContact O-N 3.46Å
653	G	89.4	Confident	87.6	Confident	21 Å²	21	72.6 Å²	72.6	22%	0.216	39%	0.393	C	S	.	.	H	α-helix	trans	-67	-41.2	178	0	0	0	0	0	113.2	Y649 T650 K651 T657	Y649-G653 PolarHBondContact O-N 3.28Å; Y649-G653 VanDerWaalsContact O-N 3.11Å; T650-G653 PolarHBondContact O-N 3.44Å; T650-G653 VanDerWaalsContact O-N 3.13Å; K651-G653 VanDerWaalsContact C-N 3.33Å; K651-G653 PolarHBondContact O-N 3.04Å; G653-T657 WeakPolarHBondContact O-CB 3.26Å; G653-T657 PolarHBondContact O-N 3.43Å; G653-T657 PolarHBondContact O-OG1 3.33Å
654	E	90.3	Very high	87.2	Confident	135 Å²	135	75.6 Å²	75.6	63%	0.631	41%	0.405	S	S	*	.	H	α-helix	trans	-65.7	-46.2	174.9	-70.3	177.2	177.2	0	0	111.6	T650 K651 F656 T657 A658	T650-E654 PolarHBondContact O-N 2.84Å; K651-E654 PolarHBondContact O-N 3.45Å; E654-F656 PolarHBondContact O-N 3.15Å; E654-T657 PolarHBondContact O-N 3.44Å; E654-A658 WeakPolarHBondContact O-CB 3.25Å; E654-A658 PolarHBondContact O-N 3.35Å
655	A	88.1	Confident	87.2	Confident	30 Å²	30	72 Å²	72	25%	0.248	39%	0.385	C	S	.	.	H	α-helix	trans	-61.6	-43.8	177.3	0	0	0	0	0	112.2	K651 L659	K651-A655 WeakPolarHBondContact O-CB 3.45Å; K651-A655 PolarHBondContact O-N 3.3Å; A655-L659 WeakPolarHBondContact O-CB 3.36Å; A655-L659 VanDerWaalsContact O-CG 3.3Å; A655-L659 WeakPolarHBondContact O-CG 3.36Å; A655-L659 PolarHBondContact O-N 3.11Å
656	F	91.8	Very high	86.8	Confident	13 Å²	13	73 Å²	73	6%	0.057	39%	0.394	C	S	.	.	H	α-helix	trans	-60.6	-47.6	174.7	166.9	-100.8	0	0	0	111.6	F627 S631 M633 A652 E654 A658 L659 Q660 I665 F670	F627-F656 HydrophobicContact CE1-CB 4.46Å; F627-F656 HydrophobicContact CZ-CB 4.08Å; S631-F656 WeakPolarHBondContact O-CZ 3.43Å; M633-F656 HydrophobicContact CG-CD2 4.44Å; M633-F656 HydrophobicContact CG-CE2 3.79Å; M633-F656 HydrophobicContact CG-CZ 4.46Å; M633-F656 HydrophobicContact SD-CD2 3.49Å; M633-F656 WeakPolarHBondContact SD-CD2 3.49Å; M633-F656 HydrophobicContact SD-CE2 3.41Å; M633-F656 WeakPolarHBondContact SD-CE2 3.3Å; M633-F656 HydrophobicContact SD-CZ 4.49Å; A652-F656 VanDerWaalsContact O-CB 3.26Å; A652-F656 WeakPolarHBondContact O-CB 3.28Å; A652-F656 PolarHBondContact O-N 3.46Å; E654-F656 PolarHBondContact O-N 3.15Å; F656-A658 PolarHBondContact O-N 3.15Å; F656-L659 PolarHBondContact O-N 2.93Å; F656-Q660 HydrophobicContact CZ-CB 4.43Å; F656-Q660 HydrophobicContact CZ-CG 4.45Å; F656-Q660 VanDerWaalsContact CZ-OE1 3.26Å; F656-Q660 VanDerWaalsContact O-CB 3.28Å; F656-Q660 WeakPolarHBondContact O-CB 3.38Å; F656-Q660 PolarHBondContact O-N 3.47Å; F656-I665 HydrophobicContact CD2-CD1 3.51Å; F656-I665 HydrophobicContact CE2-CD1 3.6Å; F656-F670 AromaticContact CE2-CE1 3.65Å; F656-F670 HydrophobicContact CE2-CE1 3.65Å; F656-F670 AromaticContact CE2-CZ 3.79Å; F656-F670 HydrophobicContact CE2-CZ 3.79Å; F656-F670 AromaticContact CZ-CE1 3.7Å; F656-F670 HydrophobicContact CZ-CE1 3.7Å; F656-F670 HydrophobicContact CZ-CZ 4.11Å
657	T	88.6	Confident	86.5	Confident	66 Å²	66	75.1 Å²	75.1	41%	0.405	40%	0.4	S	S	.	.	H	α-helix	trans	-64.6	-40.9	-177.7	-57.9	0	0	0	0	111.6	G653 E654 Q660 N661	G653-T657 WeakPolarHBondContact O-CB 3.26Å; G653-T657 PolarHBondContact O-N 3.43Å; G653-T657 PolarHBondContact O-OG1 3.33Å; E654-T657 PolarHBondContact O-N 3.44Å; T657-Q660 PolarHBondContact O-N 3.01Å; T657-N661 WeakPolarHBondContact O-CB 3.39Å; T657-N661 PolarHBondContact O-N 3.49Å; T657-N661 PolarHBondContact O-ND2 3.44Å
658	A	89.7	Confident	86.1	Confident	46 Å²	46	78.8 Å²	78.8	38%	0.38	42%	0.42	S	S	.	.	H	α-helix	trans	-60.6	-50	174.3	0	0	0	0	0	111.4	E654 F656 Q660 N661 E662	E654-A658 WeakPolarHBondContact O-CB 3.25Å; E654-A658 PolarHBondContact O-N 3.35Å; F656-A658 PolarHBondContact O-N 3.15Å; A658-Q660 VanDerWaalsContact C-N 3.32Å; A658-Q660 PolarHBondContact O-N 2.97Å; A658-N661 PolarHBondContact O-N 3.13Å; A658-E662 WeakPolarHBondContact O-CG 3.3Å; A658-E662 PolarHBondContact O-N 2.93Å
659	L	86.5	Confident	85.6	Confident	78 Å²	78	77 Å²	77	41%	0.408	41%	0.408	S	S	.	.	H	α-helix	trans	-66.7	-32.3	179.8	-70.8	172.5	0	0	0	113.2	A655 F656 G663 K664 I665	A655-L659 WeakPolarHBondContact O-CB 3.36Å; A655-L659 VanDerWaalsContact O-CG 3.3Å; A655-L659 WeakPolarHBondContact O-CG 3.36Å; A655-L659 PolarHBondContact O-N 3.11Å; F656-L659 PolarHBondContact O-N 2.93Å; L659-G663 PolarHBondContact O-N 3Å; L659-K664 HydrophobicContact CD2-CB 4.31Å; L659-K664 HydrophobicContact CD2-CD 4.24Å; L659-K664 PolarHBondContact O-N 2.93Å; L659-I665 HydrophobicContact CB-CD1 3.86Å; L659-I665 HydrophobicContact CB-CG1 3.78Å
660	Q	85.4	Confident	85.3	Confident	88 Å²	88	75.9 Å²	75.9	41%	0.411	41%	0.405	S	S	.	.	H	α-helix	trans	-70.1	-43.2	175.7	-169.9	174.1	33.4	0	0	111.4	F656 T657 A658 E662 G663 I665	F656-Q660 HydrophobicContact CZ-CB 4.43Å; F656-Q660 HydrophobicContact CZ-CG 4.45Å; F656-Q660 VanDerWaalsContact CZ-OE1 3.26Å; F656-Q660 VanDerWaalsContact O-CB 3.28Å; F656-Q660 WeakPolarHBondContact O-CB 3.38Å; F656-Q660 PolarHBondContact O-N 3.47Å; T657-Q660 PolarHBondContact O-N 3.01Å; A658-Q660 VanDerWaalsContact C-N 3.32Å; A658-Q660 PolarHBondContact O-N 2.97Å; Q660-E662 VanDerWaalsContact C-N 3.28Å; Q660-E662 PolarHBondContact O-N 2.99Å; Q660-G663 PolarHBondContact O-N 2.74Å; Q660-I665 HydrophobicContact CB-CD1 4.1Å
661	N	85.5	Confident	84.7	Confident	132 Å²	132	79.8 Å²	79.8	71%	0.706	41%	0.414	S	S	*	.	H	α-helix	trans	-65.9	-31.7	176	-71.6	-21.8	0	0	0	112.3	T657 A658 G663	T657-N661 WeakPolarHBondContact O-CB 3.39Å; T657-N661 PolarHBondContact O-N 3.49Å; T657-N661 PolarHBondContact O-ND2 3.44Å; A658-N661 PolarHBondContact O-N 3.13Å; N661-G663 PolarHBondContact O-N 3.07Å
662	E	84.1	Confident	84.4	Confident	112 Å²	112	79.3 Å²	79.3	52%	0.523	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-4.1	173	-70.2	179.5	-161.8	0	0	113.6	A658 Q660 K664	A658-E662 WeakPolarHBondContact O-CG 3.3Å; A658-E662 PolarHBondContact O-N 2.93Å; Q660-E662 VanDerWaalsContact C-N 3.28Å; Q660-E662 PolarHBondContact O-N 2.99Å; E662-K664 HydrophobicContact CB-CD 4.16Å; E662-K664 HydrophobicContact CB-CG 4.09Å; E662-K664 PolarHBondContact O-N 3.28Å; E662-K664 WeakPolarHBondContact OE2-CD 3.38Å; E662-K664 WeakPolarHBondContact OE2-CE 3.43Å; E662-K664 IonicContact OE2-NZ 3.13Å; E662-K664 PolarHBondContact OE2-NZ 3.49Å
663	G	81.3	Confident	84	Confident	64 Å²	64	83.4 Å²	83.4	66%	0.66	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	17.9	-179.5	0	0	0	0	0	114.2	L659 Q660 N661	L659-G663 PolarHBondContact O-N 3Å; Q660-G663 PolarHBondContact O-N 2.74Å; N661-G663 PolarHBondContact O-N 3.07Å
664	K	78	Confident	83.7	Confident	138 Å²	138	86.9 Å²	86.9	60%	0.6	45%	0.449	S	S	*	.			trans	-86.1	-5	-175	-72.9	-179.5	-179.6	163.7	0	113.9	L659 E662 P666	L659-K664 HydrophobicContact CD2-CB 4.31Å; L659-K664 HydrophobicContact CD2-CD 4.24Å; L659-K664 PolarHBondContact O-N 2.93Å; E662-K664 HydrophobicContact CB-CD 4.16Å; E662-K664 HydrophobicContact CB-CG 4.09Å; E662-K664 PolarHBondContact O-N 3.28Å; E662-K664 WeakPolarHBondContact OE2-CD 3.38Å; E662-K664 WeakPolarHBondContact OE2-CE 3.43Å; E662-K664 IonicContact OE2-NZ 3.13Å; E662-K664 PolarHBondContact OE2-NZ 3.49Å; K664-P666 WeakPolarHBondContact O-CD 3.21Å
665	I	82.7	Confident	83.4	Confident	27 Å²	27	84.1 Å²	84.1	14%	0.138	44%	0.439	C	S	.	.	S	Bend	trans	-94.7	116	177.3	-49.9	-178.5	0	0	0	109.4	M633 F656 L659 Q660 F669 F670	M633-I665 HydrophobicContact CE-CG2 4.38Å; F656-I665 HydrophobicContact CD2-CD1 3.51Å; F656-I665 HydrophobicContact CE2-CD1 3.6Å; L659-I665 HydrophobicContact CB-CD1 3.86Å; L659-I665 HydrophobicContact CB-CG1 3.78Å; Q660-I665 HydrophobicContact CB-CD1 4.1Å; I665-F669 HydrophobicContact CG2-CB 4.33Å; I665-F669 HydrophobicContact CG2-CD2 4.01Å; I665-F670 HydrophobicContact CB-CE2 3.96Å; I665-F670 HydrophobicContact CB-CZ 4.1Å; I665-F670 HydrophobicContact CD1-CZ 4.36Å; I665-F670 HydrophobicContact CG2-CD2 4.48Å; I665-F670 HydrophobicContact CG2-CE2 3.45Å; I665-F670 VanDerWaalsContact CG2-CE2 3.45Å; I665-F670 HydrophobicContact CG2-CZ 3.66Å
666	P	80.3	Confident	83.1	Confident	52 Å²	52	87.4 Å²	87.4	34%	0.338	45%	0.45	S	S	.	.			trans	-55.1	141	174.6	-27.9	35.8	0	0	0	113.3	K664 E668 F669	K664-P666 WeakPolarHBondContact O-CD 3.21Å; P666-E668 HydrophobicContact CB-CG 3.77Å; P666-E668 PolarHBondContact O-N 3.24Å; P666-F669 HydrophobicContact CB-CD2 4.15Å; P666-F669 HydrophobicContact CB-CE1 4.38Å; P666-F669 HydrophobicContact CB-CE2 4.04Å; P666-F669 HydrophobicContact CB-CG 4.39Å; P666-F669 HydrophobicContact CB-CZ 4.15Å; P666-F669 VanDerWaalsContact CD-CE2 3.47Å; P666-F669 HydrophobicContact CG-CD2 4.07Å; P666-F669 HydrophobicContact CG-CE2 3.58Å; P666-F669 HydrophobicContact CG-CZ 3.84Å; P666-F669 PolarHBondContact O-N 2.97Å
667	K	80.1	Confident	82.5	Confident	194 Å²	194	92.4 Å²	92.4	84%	0.843	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-61	-27.5	-179.4	-68.3	-173.3	178.4	-178.4	0	113.5	F669 F670	K667-F669 PolarHBondContact O-N 2.67Å; K667-F670 PolarHBondContact O-N 3.33Å
668	E	79.3	Confident	82	Confident	132 Å²	132	94.3 Å²	94.3	62%	0.617	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-67.2	-15.6	179.7	58.2	-171.3	-161.5	0	0	114.6	K634 P666 F670	K634-E668 PolarHBondContact NZ-O 3.2Å; P666-E668 HydrophobicContact CB-CG 3.77Å; P666-E668 PolarHBondContact O-N 3.24Å; E668-F670 VanDerWaalsContact C-N 3.33Å
669	F	78.8	Confident	81.5	Confident	39 Å²	39	98 Å²	98	17%	0.171	49%	0.49	C	S	.	.	G	3₁₀ helix	trans	-84.5	-10.4	177.5	-58.9	-13.1	0	0	0	113	M633 K634 W637 I665 P666 K667	M633-F669 WeakPolarHBondContact CA-O 3.36Å; M633-F669 HydrophobicContact CE-CB 4.16Å; K634-F669 PolarHBondContact N-O 3.02Å; W637-F669 HydrophobicContact CB-CB 4.47Å; W637-F669 AromaticContact CD1-CD1 3.9Å; W637-F669 HydrophobicContact CD2-CB 4.37Å; W637-F669 AromaticContact CD2-CD1 3.91Å; W637-F669 HydrophobicContact CD2-CD1 3.91Å; W637-F669 HydrophobicContact CD2-CD2 4.19Å; W637-F669 HydrophobicContact CD2-CE1 4.27Å; W637-F669 HydrophobicContact CD2-CE2 4.49Å; W637-F669 AromaticContact CD2-CG 3.9Å; W637-F669 HydrophobicContact CD2-CG 3.9Å; W637-F669 AromaticContact CE2-CD1 3.33Å; W637-F669 AromaticContact CE2-CE1 3.51Å; W637-F669 AromaticContact CE2-CG 3.83Å; W637-F669 HydrophobicContact CE3-CD2 4.28Å; W637-F669 HydrophobicContact CE3-CE2 4.3Å; W637-F669 HydrophobicContact CE3-CG 4.45Å; W637-F669 HydrophobicContact CG-CB 4Å; W637-F669 HydrophobicContact CG-CD1 4.26Å; W637-F669 HydrophobicContact CG-CG 4.06Å; W637-F669 HydrophobicContact CH2-CD1 4.37Å; W637-F669 AromaticContact CH2-CE1 3.76Å; W637-F669 HydrophobicContact CH2-CE1 3.76Å; W637-F669 HydrophobicContact CH2-CE2 4.14Å; W637-F669 AromaticContact CH2-CZ 3.62Å; W637-F669 HydrophobicContact CH2-CZ 3.62Å; W637-F669 AromaticContact CZ2-CD1 3.62Å; W637-F669 HydrophobicContact CZ2-CD1 3.62Å; W637-F669 AromaticContact CZ2-CE1 3.24Å; W637-F669 HydrophobicContact CZ2-CE1 3.24Å; W637-F669 HydrophobicContact CZ2-CE2 4.33Å; W637-F669 HydrophobicContact CZ2-CG 4.36Å; W637-F669 AromaticContact CZ2-CZ 3.64Å; W637-F669 HydrophobicContact CZ2-CZ 3.64Å; W637-F669 HydrophobicContact CZ3-CE1 4.43Å; W637-F669 HydrophobicContact CZ3-CE2 4.11Å; W637-F669 HydrophobicContact CZ3-CZ 4.07Å; W637-F669 AromaticContact NE1-CD1 3.32Å; W637-F669 VanDerWaalsContact NE1-CD1 3.32Å; W637-F669 AromaticContact NE1-CE1 3.9Å; W637-F669 AromaticContact NE1-CG 3.89Å; I665-F669 HydrophobicContact CG2-CB 4.33Å; I665-F669 HydrophobicContact CG2-CD2 4.01Å; P666-F669 HydrophobicContact CB-CD2 4.15Å; P666-F669 HydrophobicContact CB-CE1 4.38Å; P666-F669 HydrophobicContact CB-CE2 4.04Å; P666-F669 HydrophobicContact CB-CG 4.39Å; P666-F669 HydrophobicContact CB-CZ 4.15Å; P666-F669 VanDerWaalsContact CD-CE2 3.47Å; P666-F669 HydrophobicContact CG-CD2 4.07Å; P666-F669 HydrophobicContact CG-CE2 3.58Å; P666-F669 HydrophobicContact CG-CZ 3.84Å; P666-F669 PolarHBondContact O-N 2.97Å; K667-F669 PolarHBondContact O-N 2.67Å
670	F	81.2	Confident	81	Confident	43 Å²	43	99.7 Å²	99.7	19%	0.189	50%	0.496	C	S	.	.	B	Isolated β-bridge	trans	-93.3	158.4	174.9	-61.1	-82.8	0	0	0	111.6	S631 M633 K634 F656 I665 K667 E668	S631-F670 WeakPolarHBondContact O-CE1 3.4Å; M633-F670 HydrophobicContact CG-CD1 3.81Å; M633-F670 HydrophobicContact CG-CE1 3.58Å; M633-F670 HydrophobicContact CG-CZ 4.3Å; K634-F670 VanDerWaalsContact CE-O 3.22Å; K634-F670 WeakPolarHBondContact CE-O 3.42Å; F656-F670 AromaticContact CE2-CE1 3.65Å; F656-F670 HydrophobicContact CE2-CE1 3.65Å; F656-F670 AromaticContact CE2-CZ 3.79Å; F656-F670 HydrophobicContact CE2-CZ 3.79Å; F656-F670 AromaticContact CZ-CE1 3.7Å; F656-F670 HydrophobicContact CZ-CE1 3.7Å; F656-F670 HydrophobicContact CZ-CZ 4.11Å; I665-F670 HydrophobicContact CB-CE2 3.96Å; I665-F670 HydrophobicContact CB-CZ 4.1Å; I665-F670 HydrophobicContact CD1-CZ 4.36Å; I665-F670 HydrophobicContact CG2-CD2 4.48Å; I665-F670 HydrophobicContact CG2-CE2 3.45Å; I665-F670 VanDerWaalsContact CG2-CE2 3.45Å; I665-F670 HydrophobicContact CG2-CZ 3.66Å; K667-F670 PolarHBondContact O-N 3.33Å; E668-F670 VanDerWaalsContact C-N 3.33Å
671	K	75.9	Confident	80.6	Confident	175 Å²	175	100.7 Å²	100.7	76%	0.761	50%	0.504	S	S	*	.			trans	-71.5	0	179.3	-73.5	174.8	-178.1	157.7	0	113	S628 G632 M633 K634	S628-K671 PolarHBondContact O-NZ 3.09Å; S628-K671 VanDerWaalsContact OG-CE 3.31Å; S628-K671 WeakPolarHBondContact OG-CE 3.28Å; S628-K671 PolarHBondContact OG-NZ 3.49Å; G632-K671 PolarHBondContact O-N 3.13Å; M633-K671 VanDerWaalsContact O-CE 3.31Å; M633-K671 WeakPolarHBondContact O-CE 3.15Å; K634-K671 HydrophobicContact CG-CG 4.11Å

Retrieved 671 of 671 residues in 777.7 ms (Link to these results)

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