A0A3Q0KGE9_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KGE9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 540 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	30.3	Very low	28.9	Very low	248 Å²	248	167.2 Å²	167.2	100%	1.222	87%	0.874	S	S	*	*				0	153.4	0	-96.1	174.2	168.2	0	0	108.9
2	M	24.3	Very low	28.9	Very low	185 Å²	185	168.3 Å²	168.3	91%	0.911	87%	0.871	S	S	*	*			trans	-54.8	159.5	174.6	-68.8	171.2	167.2	0	0	111.2
3	V	31.1	Very low	28.7	Very low	132 Å²	132	161 Å²	161	80%	0.8	86%	0.862	S	S	*	*			cis	-150	140.4	49.2	171	0	0	0	0	112.3
4	L	26.2	Very low	28.5	Very low	172 Å²	172	167.6 Å²	167.6	90%	0.901	87%	0.869	S	S	*	*			trans	-84.9	136	162.7	-84.8	161.2	0	0	0	110.6
5	R	27.9	Very low	28.2	Very low	242 Å²	242	171.5 Å²	171.5	91%	0.913	87%	0.868	S	S	*	*			trans	-135.9	134.5	152.2	-99.2	-168.7	175.2	-164	-0.4	110
6	R	27.5	Very low	28.2	Very low	259 Å²	259	167.8 Å²	167.8	98%	0.977	86%	0.862	S	S	*	*			trans	-78.1	148.8	167.8	-78.5	178.8	167.5	-179	-3.6	109.7
7	G	29.8	Very low	28.1	Very low	63 Å²	63	168.9 Å²	168.9	65%	0.649	86%	0.86	S	S	*	*			trans	-179.7	107.9	169.2	0	0	0	0	0	111.6
8	D	32.1	Very low	28.1	Very low	153 Å²	153	164.6 Å²	164.6	82%	0.818	85%	0.848	S	S	*	*			trans	63.3	107.4	146	-52.7	-23.5	0	0	0	122
9	S	30.1	Very low	28.2	Very low	104 Å²	104	164.2 Å²	164.2	73%	0.727	85%	0.847	S	S	*	*				29.5	146.5	126.5	47.7	0	0	0	0	122.7
10	N	27.9	Very low	28.3	Very low	162 Å²	162	162.5 Å²	162.5	87%	0.866	84%	0.835	S	S	*	*			trans	68.6	84.3	169	-69.8	-14	0	0	0	117.8
11	S	30.6	Very low	28.4	Very low	119 Å²	119	161.8 Å²	161.8	83%	0.832	82%	0.822	S	S	*	*			trans	-145.7	144.7	141.6	54.4	0	0	0	0	111.8	G13	S11-G13 PolarHBondContact O-N 2.75Å
12	H	29.2	Very low	28.3	Very low	181 Å²	181	154.3 Å²	154.3	84%	0.838	79%	0.793	S	S	*	*			trans	-68.4	115.9	-176	-70.1	-48.8	0	0	0	111.7	W14	H12-W14 PolarHBondContact O-N 3.37Å
13	G	26.1	Very low	28.4	Very low	73 Å²	73	150.7 Å²	150.7	75%	0.753	78%	0.784	S	S	*	*			trans	-65.5	103.9	176.8	0	0	0	0	0	112.8	S11 R15	S11-G13 PolarHBondContact O-N 2.75Å; G13-R15 PolarHBondContact O-N 3.42Å
14	W	26.1	Very low	28.4	Very low	253 Å²	253	151 Å²	151	96%	0.958	78%	0.775	S	S	*	*			trans	-61.7	113.6	169.2	-76.2	73.8	0	0	0	109.9	H12 S16	H12-W14 PolarHBondContact O-N 3.37Å; W14-S16 PolarHBondContact O-N 2.87Å
15	R	24.4	Very low	28.5	Very low	227 Å²	227	149.7 Å²	149.7	86%	0.857	77%	0.769	S	S	*	*			trans	-71.8	97.5	176.7	-78.7	-174.2	173.1	-139.4	3.5	110.9	G13 K17	G13-R15 PolarHBondContact O-N 3.42Å; R15-K17 PolarHBondContact O-N 3.41Å
16	S	26.9	Very low	28.5	Very low	111 Å²	111	142.9 Å²	142.9	78%	0.776	76%	0.759	S	S	*	*			trans	-63.5	127.7	157.2	-173.2	0	0	0	0	109.5	W14	W14-S16 PolarHBondContact O-N 2.87Å
17	K	26.5	Very low	28.7	Very low	187 Å²	187	137.5 Å²	137.5	81%	0.813	75%	0.748	S	S	*	*			trans	-112.3	89.7	177.1	-76.3	-178.6	178.2	174.1	0	109.6	R15	R15-K17 PolarHBondContact O-N 3.41Å
18	S	29.6	Very low	28.8	Very low	92 Å²	92	144.4 Å²	144.4	64%	0.643	76%	0.761	S	S	*	*			trans	-106.4	78	169.4	56.3	0	0	0	0	110.5
19	N	28.9	Very low	28.8	Very low	157 Å²	157	148.1 Å²	148.1	84%	0.84	76%	0.763	S	S	*	*			trans	-101	90.8	166.7	-89.3	9	0	0	0	108.4	R21	N19-R21 PolarHBondContact O-N 3.36Å
20	H	30.6	Very low	28.8	Very low	130 Å²	130	150.8 Å²	150.8	60%	0.602	77%	0.77	S	S	*	*			trans	-74.8	78.7	171.5	-83.1	-96.9	0	0	0	111.1
21	R	30	Very low	28.9	Very low	147 Å²	147	152.5 Å²	152.5	56%	0.555	77%	0.77	S	S	*	*	S	Bend	trans	-118.7	131.8	147.3	-97.6	-173.1	169.4	-168.8	-3.1	107.7	N19 C23 H201	N19-R21 PolarHBondContact O-N 3.36Å; R21-C23 WeakPolarHBondContact O-CB 3.38Å; R21-C23 PolarHBondContact O-N 3.01Å; R21-H201 PolarHBondContact NH1-CD2 2.78Å; R21-H201 PolarHBondContact NH2-CD2 2.7Å; R21-H201 PolarHBondContact NH2-CE1 2.85Å; R21-H201 PolarHBondContact NH2-NE2 2.98Å
22	C	28.6	Very low	28.7	Very low	91 Å²	91	154.7 Å²	154.7	62%	0.615	77%	0.767	S	S	*	*	S	Bend	trans	-44.9	94.7	-178.5	-164.5	0	0	0	0	112.3
23	C	26.2	Very low	28.8	Very low	109 Å²	109	151.8 Å²	151.8	74%	0.736	76%	0.762	S	S	*	*			trans	-165.7	39.1	-174	-108	0	0	0	0	111.2	R21 N25	R21-C23 WeakPolarHBondContact O-CB 3.38Å; R21-C23 PolarHBondContact O-N 3.01Å; C23-N25 VanDerWaalsContact C-N 3.28Å; C23-N25 PolarHBondContact O-N 2.78Å
24	F	31.3	Very low	28.8	Very low	138 Å²	138	158.5 Å²	158.5	61%	0.605	76%	0.764	S	S	*	*			trans	-82.3	74	176.7	-131.4	-80.5	0	0	0	110.8
25	N	27.7	Very low	29.1	Very low	145 Å²	145	156.4 Å²	156.4	78%	0.775	76%	0.758	S	S	*	*			trans	-134.7	52.4	-178.9	-140.3	-21.1	0	0	0	112.7	C23	C23-N25 VanDerWaalsContact C-N 3.28Å; C23-N25 PolarHBondContact O-N 2.78Å
26	S	28.4	Very low	29.2	Very low	99 Å²	99	151.3 Å²	151.3	69%	0.692	75%	0.751	S	S	*	*	S	Bend	trans	-157.8	94.8	160.8	61.4	0	0	0	0	110.7
27	L	30.7	Very low	29.5	Very low	146 Å²	146	151 Å²	151	76%	0.764	75%	0.75	S	S	*	*	S	Bend	trans	-176.4	-11.1	154.8	-102.9	160.2	0	0	0	114.5
28	F	33	Very low	29.8	Very low	209 Å²	209	149 Å²	149	92%	0.917	75%	0.748	S	S	*	*	S	Bend	trans	-103.7	31	177.5	-82.4	-82	0	0	0	115.4
29	R	32	Very low	29.8	Very low	230 Å²	230	149.7 Å²	149.7	87%	0.868	75%	0.753	S	S	*	*	S	Bend	trans	-115.1	124.8	155.5	-78.4	-173.2	175.9	-163.2	1.2	107.4
30	N	29	Very low	30	Very low	160 Å²	160	148.5 Å²	148.5	86%	0.856	75%	0.751	S	S	*	*			trans	91.4	67.2	-176.8	-50.4	-6.4	0	0	0	116.2
31	K	30.4	Very low	30	Very low	199 Å²	199	147.7 Å²	147.7	87%	0.865	76%	0.758	S	S	*	*			trans	-129.4	110.6	138.4	-77.1	-168.6	176.6	179.5	0	108.6	T33	K31-T33 PolarHBondContact O-N 3.46Å
32	E	28	Very low	30.3	Very low	165 Å²	165	145.5 Å²	145.5	77%	0.771	77%	0.766	S	S	*	*			trans	-68.4	106.2	168.2	-67.2	-177.5	164.5	0	0	108.4	R34	E32-R34 PolarHBondContact O-N 2.86Å; E32-R34 IonicContact OE2-NE 2.61Å
33	T	30.3	Very low	30.5	Very low	120 Å²	120	147.3 Å²	147.3	74%	0.736	77%	0.774	S	S	*	*			trans	-81.2	89.8	164.7	41.5	0	0	0	0	108.6	K31 Y35	K31-T33 PolarHBondContact O-N 3.46Å; T33-Y35 PolarHBondContact O-N 3.38Å
34	R	26.2	Very low	31	Very low	213 Å²	213	147.4 Å²	147.4	80%	0.804	78%	0.776	S	S	*	*			trans	-69.4	107.1	162.1	-66.9	-176.8	-174.6	-173.9	-0.4	108	E32	E32-R34 PolarHBondContact O-N 2.86Å; E32-R34 IonicContact OE2-NE 2.61Å
35	Y	32.5	Very low	31.2	Very low	209 Å²	209	145.5 Å²	145.5	82%	0.82	78%	0.78	S	S	*	*			trans	-84.9	121.8	159	-92.5	-90.8	0	0	0	108.2	T33	T33-Y35 PolarHBondContact O-N 3.38Å
36	V	26.5	Very low	31.6	Very low	120 Å²	120	143.9 Å²	143.9	73%	0.727	78%	0.78	S	S	*	*			trans	-102	124.3	163.6	177.9	0	0	0	0	106.1
37	S	34.1	Very low	32.1	Very low	106 Å²	106	144.6 Å²	144.6	74%	0.741	79%	0.785	S	S	*	*			trans	-152.3	123.9	165.9	56.6	0	0	0	0	107.1
38	D	32.4	Very low	32.4	Very low	145 Å²	145	142.7 Å²	142.7	78%	0.775	79%	0.79	S	S	*	*			trans	-73.2	169.9	-162.7	-62.8	-67	0	0	0	115.5
39	S	29.9	Very low	32.5	Very low	106 Å²	106	136.3 Å²	136.3	74%	0.741	78%	0.783	S	S	*	*			trans	-40	156.2	163.2	50.8	0	0	0	0	113.7
40	V	33.1	Very low	32.9	Very low	132 Å²	132	134.9 Å²	134.9	80%	0.8	79%	0.786	S	S	*	*				-149.2	158.3	63.7	179.1	0	0	0	0	113.6
41	C	30.2	Very low	33.2	Very low	113 Å²	113	138.3 Å²	138.3	76%	0.764	79%	0.787	S	S	*	*			trans	-35.4	160.8	169.6	-66	0	0	0	0	116.8
42	S	35.4	Very low	33.5	Very low	101 Å²	101	138.3 Å²	138.3	71%	0.706	79%	0.787	S	S	*	*			cis	-160.8	158.4	47.1	-46.3	0	0	0	0	115.6
43	T	33.9	Very low	33.8	Very low	129 Å²	129	141.8 Å²	141.8	79%	0.791	79%	0.793	S	S	*	*			trans	16.9	142.2	141.5	58	0	0	0	0	119.4
44	S	35.7	Very low	34	Very low	111 Å²	111	141 Å²	141	78%	0.776	79%	0.792	S	S	*	*			cis	176.8	170.4	18	33	0	0	0	0	107.8
45	S	36.7	Very low	34.5	Very low	98 Å²	98	136.3 Å²	136.3	69%	0.685	79%	0.792	S	S	*	*			cis	-171	171.2	-10.4	44.6	0	0	0	0	109.4
46	S	35.4	Very low	34.6	Very low	111 Å²	111	132.7 Å²	132.7	78%	0.776	79%	0.792	S	S	*	*			trans	63.2	146.9	159.9	40.7	0	0	0	0	118.9
47	S	38.6	Very low	35.1	Very low	113 Å²	113	132.9 Å²	132.9	79%	0.79	80%	0.799	S	S	*	*			cis	-159.1	155.8	7	36.4	0	0	0	0	113.9
48	A	36.7	Very low	35	Very low	107 Å²	107	136.6 Å²	136.6	88%	0.884	80%	0.804	S	S	*	*			trans	-3.2	136	159	0	0	0	0	0	119.8
49	G	36.6	Very low	35.2	Very low	75 Å²	75	140 Å²	140	77%	0.773	81%	0.812	S	S	*	*				157.3	169.9	70.9	0	0	0	0	0	108.7
50	H	40.5	Very low	35.3	Very low	199 Å²	199	139.7 Å²	139.7	92%	0.921	82%	0.816	S	S	*	*			cis	-155.8	173.9	18.4	-142.7	17.8	0	0	0	111.1
51	R	34	Very low	35.3	Very low	233 Å²	233	138.4 Å²	138.4	88%	0.879	81%	0.813	S	S	*	*			trans	-99.3	154.4	-174	-71.8	170.4	163.2	172	-5.3	114.3
52	K	37.7	Very low	35.5	Very low	198 Å²	198	138.7 Å²	138.7	86%	0.861	82%	0.816	S	S	*	*				172.6	127	128.6	-91.4	159	-175.5	-178.2	0	108.6
53	R	33.9	Very low	35.2	Very low	239 Å²	239	136.6 Å²	136.6	90%	0.902	81%	0.811	S	S	*	*				52.1	136	76.8	-76	-166.9	178.4	-162.6	0.6	113.1
54	S	34.2	Very low	35.2	Very low	103 Å²	103	142.2 Å²	142.2	72%	0.72	82%	0.819	S	S	*	*			cis	175.8	147.4	-6.9	44.6	0	0	0	0	108.9
55	S	37.3	Very low	34.9	Very low	115 Å²	115	140.5 Å²	140.5	80%	0.804	82%	0.819	S	S	*	*			trans	156.4	117.1	140.7	61.8	0	0	0	0	115.3
56	T	34.3	Very low	34.7	Very low	132 Å²	132	142.3 Å²	142.3	81%	0.81	83%	0.831	S	S	*	*			trans	-16.8	142	150.1	49.5	0	0	0	0	120.8
57	S	37.1	Very low	34.7	Very low	124 Å²	124	142.8 Å²	142.8	87%	0.867	83%	0.834	S	S	*	*				-149.5	147	121.2	58.9	0	0	0	0	111.4
58	E	32	Very low	34.2	Very low	184 Å²	184	144.8 Å²	144.8	86%	0.86	84%	0.835	S	S	*	*			trans	-94	156.8	-175.3	-58.9	171	113.8	0	0	112.5
59	K	35.5	Very low	34.5	Very low	216 Å²	216	145.5 Å²	145.5	94%	0.939	83%	0.831	S	S	*	*			trans	-161	136.2	136.3	-110.2	161.1	-169.7	176.9	0	111.7
60	A	33.1	Very low	34.4	Very low	100 Å²	100	151.6 Å²	151.6	83%	0.826	84%	0.836	S	S	*	*			trans	-91.6	163	-170.5	0	0	0	0	0	113.7
61	S	32	Very low	33.9	Very low	105 Å²	105	153.3 Å²	153.3	73%	0.734	84%	0.835	S	S	*	*				164.1	124.4	117.4	-175.9	0	0	0	0	114.3
62	S	34.1	Very low	33.9	Very low	119 Å²	119	153.8 Å²	153.8	83%	0.832	84%	0.836	S	S	*	*			trans	61.5	143.3	157.5	74.9	0	0	0	0	119.4
63	G	30.1	Very low	33.6	Very low	58 Å²	58	155.6 Å²	155.6	60%	0.598	84%	0.838	S	S	*	*			cis	169.5	162.2	-4.6	0	0	0	0	0	111.9
64	Y	34	Very low	33.7	Very low	246 Å²	246	150.1 Å²	150.1	97%	0.965	83%	0.831	S	S	*	*			trans	74.7	118.9	173.1	-53.9	-77.6	0	0	0	118.8
65	G	29.4	Very low	33.9	Very low	75 Å²	75	150.4 Å²	150.4	77%	0.773	83%	0.833	S	S	*	*			trans	-123.4	-173.2	163.7	0	0	0	0	0	111.3
66	C	33.5	Very low	33.6	Very low	137 Å²	137	153.7 Å²	153.7	93%	0.926	84%	0.835	S	S	*	*			trans	-152.2	134	163.7	-125.7	0	0	0	0	111.9
67	S	34	Very low	33.7	Very low	120 Å²	120	159.3 Å²	159.3	84%	0.839	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-74.8	154.3	-161.2	-41.9	0	0	0	0	117.4
68	D	28.2	Very low	33.4	Very low	155 Å²	155	158.6 Å²	158.6	83%	0.829	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-71	147.2	159.1	-87.9	-53.4	0	0	0	112.7
69	P	43	Very low	33.7	Very low	123 Å²	123	159.9 Å²	159.9	80%	0.799	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-84	132.4	166.5	32.4	-30.7	0	0	0	112.4
70	K	35.5	Very low	33.5	Very low	202 Å²	202	160.7 Å²	160.7	88%	0.878	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-72	147	-173	-62.7	173.8	178.9	176.3	0	113.8
71	R	29.8	Very low	33.7	Very low	236 Å²	236	164 Å²	164	89%	0.891	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-60.6	139.9	158.1	-78.8	-178.2	167	-148.4	-2.9	110.7
72	R	34.3	Very low	33.7	Very low	242 Å²	242	165.6 Å²	165.6	91%	0.913	84%	0.84	S	S	*	*			trans	-107.5	126.4	153.3	-92.7	-175.1	165.7	-174.9	-4.5	109.2
73	R	29.5	Very low	33.9	Very low	236 Å²	236	168.5 Å²	168.5	89%	0.891	84%	0.84	S	S	*	*			trans	-87.7	142	159.4	-80.8	179.7	167	176.6	-4.4	107.8
74	V	37.4	Very low	34.1	Very low	125 Å²	125	170.2 Å²	170.2	76%	0.758	84%	0.843	S	S	*	*			trans	-139.7	124	160.8	178.9	0	0	0	0	109.3
75	S	37.3	Very low	34	Very low	108 Å²	108	162.7 Å²	162.7	76%	0.755	83%	0.826	S	S	*	*			trans	32.8	130.4	163.5	65.1	0	0	0	0	122.6
76	E	32.2	Very low	34.3	Very low	184 Å²	184	167.2 Å²	167.2	86%	0.86	83%	0.826	S	S	*	*			trans	-67.4	152.4	160.2	-58.4	146.9	126.3	0	0	112.4
77	R	35.2	Very low	34.2	Very low	251 Å²	251	166.5 Å²	166.5	95%	0.947	82%	0.818	S	S	*	*			trans	-151.8	117	133.4	-132.5	176.7	-175.7	-168.7	0.7	111.7
78	S	32.5	Very low	34.2	Very low	108 Å²	108	166.5 Å²	166.5	76%	0.755	82%	0.818	S	S	*	*			trans	-66.2	146.8	177.2	-57.5	0	0	0	0	112.7
79	K	37.6	Very low	34.3	Very low	212 Å²	212	167 Å²	167	92%	0.922	82%	0.82	S	S	*	*			trans	-154.3	112.3	133.9	-106.9	169.9	-172.5	-172.8	0	109.4
80	R	30.9	Very low	34	Very low	232 Å²	232	166.6 Å²	166.6	88%	0.875	82%	0.817	S	S	*	*			trans	-74.2	154.8	166.4	-65.2	174.6	173.5	177.1	-3.7	108.8
81	L	38.1	Very low	33.8	Very low	170 Å²	170	163.6 Å²	163.6	89%	0.89	81%	0.81	S	S	*	*			trans	-156	136.1	136.6	-105.4	161.9	0	0	0	108.6
82	N	31.9	Very low	34	Very low	138 Å²	138	162.4 Å²	162.4	74%	0.738	81%	0.812	S	S	*	*			trans	-96	171	179.5	-77.5	-16	0	0	0	110.7
83	H	38.2	Very low	33.9	Very low	181 Å²	181	156.8 Å²	156.8	84%	0.838	80%	0.8	S	S	*	*			trans	125.4	147.3	157.4	-66.9	-51.2	0	0	0	112.1
84	S	34.7	Very low	34.1	Very low	94 Å²	94	153.3 Å²	153.3	66%	0.657	79%	0.794	S	S	*	*			cis	-167.5	149.8	-28.3	-168.9	0	0	0	0	108.3
85	S	31.8	Very low	33.8	Very low	87 Å²	87	153.1 Å²	153.1	61%	0.608	79%	0.793	S	S	*	*			trans	28.5	121.8	148.7	56.4	0	0	0	0	121.6
86	H	35.6	Very low	33.4	Very low	170 Å²	170	154.4 Å²	154.4	79%	0.787	80%	0.796	S	S	*	*				173.3	112.1	116.5	-98.1	-82.5	0	0	0	108.2
87	V	30.2	Very low	33.3	Very low	122 Å²	122	151.6 Å²	151.6	74%	0.739	80%	0.797	S	S	*	*				60.8	107.3	83.3	179.4	0	0	0	0	113.5
88	S	33.7	Very low	33	Very low	120 Å²	120	145.8 Å²	145.8	84%	0.839	79%	0.79	S	S	*	*			trans	174.8	120.6	132	-75.9	0	0	0	0	112.6
89	L	32.1	Very low	32.9	Very low	167 Å²	167	145.8 Å²	145.8	87%	0.874	79%	0.788	S	S	*	*			trans	-107	150.5	154.1	-91.6	166.1	0	0	0	105.6
90	P	35.4	Very low	32.6	Very low	113 Å²	113	144.5 Å²	144.5	73%	0.734	78%	0.783	S	S	*	*				-155.5	171.9	77.1	40.1	-19.3	0	0	0	118.2
91	N	30.6	Very low	32.4	Very low	139 Å²	139	138 Å²	138	74%	0.743	78%	0.779	S	S	*	*			trans	1.6	138.1	152.9	-56.2	-14.4	0	0	0	120.3
92	F	35.5	Very low	32	Very low	212 Å²	212	136.3 Å²	136.3	93%	0.93	78%	0.775	S	S	*	*				-146	145.7	128.6	-116.4	-80.9	0	0	0	111.8
93	N	30.9	Very low	31.9	Very low	124 Å²	124	141.4 Å²	141.4	66%	0.663	78%	0.784	S	S	*	*			trans	-92.6	169.7	-176.1	-75.3	-28.2	0	0	0	113.1
94	H	34.6	Very low	31.7	Very low	163 Å²	163	140.5 Å²	140.5	76%	0.755	78%	0.784	S	S	*	*			trans	113.5	140.4	139.5	-70	-62.9	0	0	0	121.5
95	T	31.6	Very low	31.5	Very low	120 Å²	120	141.4 Å²	141.4	74%	0.736	79%	0.79	S	S	*	*			trans	75.4	91.9	148.5	43.8	0	0	0	0	121
96	T	27.7	Very low	31.6	Very low	135 Å²	135	140.7 Å²	140.7	83%	0.828	80%	0.797	S	S	*	*				13.7	124.2	120.7	51.4	0	0	0	0	118.8
97	S	31	Very low	31.5	Very low	126 Å²	126	140.4 Å²	140.4	88%	0.881	80%	0.801	S	S	*	*			trans	-146.2	128.8	155.4	-178.5	0	0	0	0	111.2
98	T	28	Very low	31.7	Very low	128 Å²	128	144.2 Å²	144.2	79%	0.785	81%	0.808	S	S	*	*			trans	-95.7	151.1	-178.7	47.8	0	0	0	0	111.8
99	C	30.4	Very low	31.8	Very low	108 Å²	108	142.2 Å²	142.2	73%	0.73	81%	0.806	S	S	*	*			trans	-160.7	114.3	149.5	-98.8	0	0	0	0	110.6
100	K	31.4	Very low	32	Very low	186 Å²	186	146.2 Å²	146.2	81%	0.809	81%	0.809	S	S	*	*				73.3	102.1	100.1	-70.6	178	-176.1	174.3	0	113.4
101	A	27.5	Very low	32.2	Very low	96 Å²	96	146.3 Å²	146.3	79%	0.793	81%	0.81	S	S	*	*				81	130.4	93.5	0	0	0	0	0	112.3
102	V	29.9	Very low	32.6	Very low	134 Å²	134	150.7 Å²	150.7	81%	0.812	82%	0.816	S	S	*	*				-142.7	141.7	83.3	171.5	0	0	0	0	112.2	I104	V102-I104 HydrophobicContact CG1-CG1 4.31Å
103	R	29.2	Very low	32.8	Very low	244 Å²	244	146.1 Å²	146.1	92%	0.921	80%	0.801	S	S	*	*			trans	-101.6	146.1	159.3	-82.2	-180	171.9	159.7	-3.1	109.1
104	I	34.7	Very low	33.2	Very low	162 Å²	162	150.5 Å²	150.5	83%	0.831	81%	0.809	S	S	*	*			trans	-111.6	114.8	163.4	-63.9	178.4	0	0	0	108.5	V102	V102-I104 HydrophobicContact CG1-CG1 4.31Å
105	S	30.5	Very low	33.4	Very low	113 Å²	113	147.4 Å²	147.4	79%	0.79	81%	0.805	S	S	*	*			trans	-77.3	147.7	155.3	47.5	0	0	0	0	109
106	G	32.4	Very low	33.7	Very low	73 Å²	73	148.7 Å²	148.7	75%	0.753	81%	0.807	S	S	*	*			cis	153	168	4.1	0	0	0	0	0	108.1
107	D	33.9	Very low	34.2	Very low	163 Å²	163	147.2 Å²	147.2	87%	0.872	80%	0.803	S	S	*	*			trans	-150.8	151.6	162.9	-159.7	3	0	0	0	111.6
108	K	35.5	Very low	34.7	Very low	203 Å²	203	147.2 Å²	147.2	88%	0.883	80%	0.803	S	S	*	*			trans	-131	91	-180	-79	-174.7	174.6	178.9	0	110.4
109	G	36	Very low	35.1	Very low	78 Å²	78	146.8 Å²	146.8	80%	0.804	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-91.2	127.9	164.9	0	0	0	0	0	112.1
110	R	34.5	Very low	35.4	Very low	250 Å²	250	147.9 Å²	147.9	94%	0.943	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-89.3	160.7	179.2	-104.4	-175.4	170.6	-171.9	-2.3	112.9
111	P	41.6	Very low	35.8	Very low	115 Å²	115	144.4 Å²	144.4	75%	0.747	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-95.7	162.3	-174.9	38.9	-36.2	0	0	0	114.5
112	R	37.8	Very low	36.2	Very low	232 Å²	232	143.3 Å²	143.3	88%	0.875	81%	0.809	S	S	*	*			trans	174.6	153.2	164.9	-100.8	175.3	-175	173.3	0.7	106.4
113	D	39.2	Very low	36.7	Very low	115 Å²	115	144.7 Å²	144.7	62%	0.615	81%	0.811	S	S	*	*			cis	-167.7	170.6	-5.7	-128.7	-15.6	0	0	0	108.7
114	R	39.1	Very low	37.3	Very low	217 Å²	217	137.3 Å²	137.3	82%	0.819	80%	0.802	S	S	*	*			trans	70.9	134	161.3	-63	150.4	-167.8	-142.5	-1.1	117.8
115	S	38.9	Very low	37.4	Very low	97 Å²	97	135.5 Å²	135.5	68%	0.678	80%	0.801	S	S	*	*			cis	118.5	119.1	10	67.8	0	0	0	0	111.9
116	N	38.4	Very low	37.8	Very low	147 Å²	147	135.1 Å²	135.1	79%	0.786	80%	0.798	S	S	*	*			trans	142.8	113.8	152.9	-77.1	5.7	0	0	0	108.8
117	S	38.9	Very low	38.3	Very low	104 Å²	104	140 Å²	140	73%	0.727	80%	0.801	S	S	*	*				78.2	94.6	53.1	79.8	0	0	0	0	114.3
118	S	41	Very low	38.4	Very low	126 Å²	126	137 Å²	137	88%	0.881	80%	0.798	S	S	*	*			trans	-163.8	126.4	136.8	51.9	0	0	0	0	110.9
119	S	35.9	Very low	38.7	Very low	120 Å²	120	134.2 Å²	134.2	84%	0.839	80%	0.798	S	S	*	*			trans	-80.2	147.9	172.1	48.9	0	0	0	0	111.7
120	C	36.7	Very low	38.9	Very low	131 Å²	131	139.9 Å²	139.9	89%	0.885	80%	0.801	S	S	*	*			trans	-150.4	143	138.6	-150.3	0	0	0	0	112.4
121	S	39.4	Very low	39.3	Very low	113 Å²	113	133.5 Å²	133.5	79%	0.79	79%	0.792	S	S	*	*			trans	-84.6	159	-177	48.5	0	0	0	0	113.5
122	G	36.6	Very low	40.3	Very low	72 Å²	72	134.1 Å²	134.1	74%	0.742	80%	0.796	S	S	*	*			trans	-179.2	57.1	174.5	0	0	0	0	0	120.1
123	I	40.7	Very low	40.6	Very low	164 Å²	164	128 Å²	128	84%	0.841	79%	0.786	S	S	*	*			trans	45.9	117.3	135.7	-58.5	173.7	0	0	0	120.9
124	A	40.9	Very low	40.7	Very low	89 Å²	89	130.2 Å²	130.2	74%	0.736	79%	0.793	S	S	*	*			trans	69.3	138.8	142.5	0	0	0	0	0	123.2
125	P	36.6	Very low	40.9	Very low	124 Å²	124	128.6 Å²	128.6	81%	0.805	79%	0.794	S	S	*	*			trans	-100.1	153.1	167.9	38.6	-31.9	0	0	0	112.8
126	S	40.8	Very low	40.8	Very low	105 Å²	105	128.6 Å²	128.6	73%	0.734	79%	0.792	S	S	*	*			trans	-174.8	166.8	151.9	49.5	0	0	0	0	114.1
127	H	41.3	Very low	40.6	Very low	175 Å²	175	127.7 Å²	127.7	81%	0.81	79%	0.791	S	S	*	*			trans	77.9	97.9	163.5	-65.6	-63.2	0	0	0	120.6
128	A	36.7	Very low	40.6	Very low	99 Å²	99	132.3 Å²	132.3	82%	0.818	80%	0.799	S	S	*	*			trans	-70.3	149.8	152.8	0	0	0	0	0	112.1
129	T	41.2	Very low	40.2	Very low	145 Å²	145	138 Å²	138	89%	0.89	80%	0.801	S	S	*	*			trans	-128.6	133.6	161.4	33.5	0	0	0	0	110.7
130	K	41.6	Very low	40.2	Very low	198 Å²	198	140.7 Å²	140.7	86%	0.861	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-77	159.2	-178.2	-73.9	175	176	175.3	0	111.9
131	P	42	Very low	39.9	Very low	116 Å²	116	145.9 Å²	145.9	75%	0.753	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-76.6	150.1	170.8	33.4	-35.7	0	0	0	112.1
132	P	63.3	Low	39.8	Very low	127 Å²	127	148.5 Å²	148.5	83%	0.825	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-91.5	144.3	171.2	34.6	-32.1	0	0	0	112.8
133	P	42.6	Very low	39.6	Very low	104 Å²	104	156.8 Å²	156.8	68%	0.675	81%	0.81	S	S	*	*			trans	-115.1	169	178.2	41.3	-34	0	0	0	115.6
134	H	42.5	Very low	39.3	Very low	162 Å²	162	154.4 Å²	154.4	75%	0.75	81%	0.808	S	S	*	*			trans	64.3	132.9	166.1	-54.4	-68.6	0	0	0	117.9
135	H	42.2	Very low	39.2	Very low	182 Å²	182	156.5 Å²	156.5	84%	0.843	81%	0.813	S	S	*	*				-162.4	174.6	59.9	-103.5	-82	0	0	0	113.4
136	P	37.3	Very low	39	Very low	97 Å²	97	155.7 Å²	155.7	63%	0.63	81%	0.811	S	S	*	*			trans	-113.3	179.3	-162.7	41.9	-35.2	0	0	0	117.9
137	T	35.3	Very low	38.9	Very low	128 Å²	128	158.9 Å²	158.9	79%	0.785	82%	0.818	S	S	*	*			trans	80.6	126	170.8	76.2	0	0	0	0	115.8
138	K	38.7	Very low	38.6	Very low	202 Å²	202	158.1 Å²	158.1	88%	0.878	82%	0.815	S	S	*	*				-151.4	171.5	58.3	-85	172.8	174.9	171.6	0	113.6
139	R	31.9	Very low	38.7	Very low	246 Å²	246	161 Å²	161	93%	0.928	82%	0.815	S	S	*	*			trans	-72.6	140.1	174.7	-65.1	167.4	166.8	174.1	-4.6	111.5
140	E	35.6	Very low	38.6	Very low	176 Å²	176	161.1 Å²	161.1	82%	0.822	81%	0.805	S	S	*	*			trans	-154	156	137	-129.2	169.7	158.1	0	0	113.1
141	R	31.3	Very low	38.5	Very low	239 Å²	239	158.5 Å²	158.5	90%	0.902	80%	0.8	S	S	*	*			trans	-126.2	113	-176.5	-80	178.1	165.1	-172.5	-3.6	109.9
142	Q	37.2	Very low	38.3	Very low	169 Å²	169	155.5 Å²	155.5	79%	0.79	79%	0.79	S	S	*	*			trans	-141.9	111.7	161.4	-59.8	-169.3	14.2	0	0	106.9
143	R	32.8	Very low	37.2	Very low	246 Å²	246	159.2 Å²	159.2	93%	0.928	80%	0.796	S	S	*	*				73.3	110.1	77.4	-80.9	-167.9	172.4	-172.5	-1.1	113.3
144	S	34	Very low	36.9	Very low	114 Å²	114	159.1 Å²	159.1	80%	0.797	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-72.1	156.5	170.9	-45.8	0	0	0	0	111.9
145	P	39.4	Very low	36.7	Very low	132 Å²	132	160.3 Å²	160.3	86%	0.857	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-81.2	152.1	-174.9	32.6	-35.6	0	0	0	113.9
146	S	31.9	Very low	36.3	Very low	108 Å²	108	162.4 Å²	162.4	76%	0.755	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-86.4	157.2	176.5	-45.1	0	0	0	0	112.3
147	I	39.2	Very low	36.4	Very low	172 Å²	172	164.4 Å²	164.4	88%	0.882	82%	0.817	S	S	*	*			trans	-126.7	130.1	152.1	-65.4	179.7	0	0	0	107
148	E	33.3	Very low	36.3	Very low	159 Å²	159	169.6 Å²	169.6	74%	0.743	82%	0.822	S	S	*	*			trans	-91.6	166.8	-178.1	-60.7	177.9	140.9	0	0	111.8
149	I	39.3	Very low	36	Very low	160 Å²	160	168.4 Å²	168.4	82%	0.821	82%	0.824	S	S	*	*				-171.9	132.8	123.9	-91.8	150.7	0	0	0	109.4
150	H	39.6	Very low	36.3	Very low	147 Å²	147	165.5 Å²	165.5	68%	0.681	82%	0.821	S	S	*	*			trans	-23.8	158.4	161	-64.5	-94.7	0	0	0	117.4
151	D	39.9	Very low	36.3	Very low	143 Å²	143	165.1 Å²	165.1	77%	0.765	83%	0.825	S	S	*	*			cis	-165.7	177	-12.8	-111.6	-35.8	0	0	0	107.6
152	G	37	Very low	36.6	Very low	52 Å²	52	157.2 Å²	157.2	54%	0.536	82%	0.817	S	S	.	*			cis	134.3	92.9	-3.7	0	0	0	0	0	113.9
153	H	41	Very low	36.6	Very low	206 Å²	206	158 Å²	158	95%	0.954	82%	0.821	S	S	*	*			trans	-145.2	142.9	165.1	-110.9	48.3	0	0	0	112.9
154	S	34.6	Very low	36.9	Very low	102 Å²	102	156 Å²	156	71%	0.713	82%	0.819	S	S	*	*			trans	-100	147.2	-169.2	175.7	0	0	0	0	112.2
155	M	39.6	Very low	36.9	Very low	186 Å²	186	156 Å²	156	92%	0.916	82%	0.819	S	S	*	*			trans	-148.3	138	138.9	-103	-54.2	-118.1	0	0	111.2
156	R	33.5	Very low	36.8	Very low	227 Å²	227	153.3 Å²	153.3	86%	0.857	82%	0.816	S	S	*	*			trans	-116.4	122	-166.4	-179.1	-174.4	-170.1	171.9	3.7	109.4
157	V	38.5	Very low	37.2	Very low	139 Å²	139	153.4 Å²	153.4	84%	0.842	82%	0.817	S	S	*	*			trans	-125.7	136.6	172.5	-174.6	0	0	0	0	110.4
158	R	33.6	Very low	37.6	Very low	236 Å²	236	151.3 Å²	151.3	89%	0.891	81%	0.814	S	S	*	*			trans	-77.4	148.3	-173.2	-69.6	171.9	169.6	156.6	-5.3	111.7
159	L	32.2	Very low	38.2	Very low	178 Å²	178	155.7 Å²	155.7	93%	0.932	82%	0.824	S	S	*	*			trans	-68.7	133.4	163.4	-71.9	161.3	0	0	0	109.7
160	H	38.4	Very low	38.7	Very low	185 Å²	185	155.5 Å²	155.5	86%	0.856	82%	0.823	S	S	*	*			trans	-138.6	137.5	159.3	-146.8	-72.3	0	0	0	109.2	G162	H160-G162 PolarHBondContact O-N 2.81Å
161	N	36.2	Very low	39.1	Very low	168 Å²	168	152 Å²	152	90%	0.898	81%	0.814	S	S	*	*			trans	-65	133.3	-179.4	-82.2	-18.3	0	0	0	111.2
162	G	36.9	Very low	39.8	Very low	73 Å²	73	150.6 Å²	150.6	75%	0.753	81%	0.807	S	S	*	*			trans	-158.2	122.5	169.1	0	0	0	0	0	108.7	H160	H160-G162 PolarHBondContact O-N 2.81Å
163	Q	37.4	Very low	40.7	Very low	186 Å²	186	158.3 Å²	158.3	87%	0.869	82%	0.82	S	S	*	*			trans	-64.5	141.6	177.8	-62.7	159	-17.9	0	0	109.8
164	F	38.6	Very low	41.8	Very low	203 Å²	203	153.2 Å²	153.2	89%	0.89	80%	0.799	S	S	*	*				-174.8	151.5	129	-106.9	-73.2	0	0	0	111.7
165	S	35.7	Very low	43.1	Very low	114 Å²	114	153.1 Å²	153.1	80%	0.797	79%	0.791	S	S	*	*			trans	-66.1	139	-174.8	51.4	0	0	0	0	114.9
166	G	35.8	Very low	44.3	Very low	76 Å²	76	150.7 Å²	150.7	78%	0.784	78%	0.775	S	S	*	*			trans	-165.9	100.8	168.3	0	0	0	0	0	113.3
167	S	41.5	Very low	46.1	Very low	110 Å²	110	144.9 Å²	144.9	77%	0.769	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-62	149.4	174.2	-62.4	0	0	0	0	111.8	R169	S167-R169 PolarHBondContact O-N 3.34Å; S167-R169 VanDerWaalsContact O-N 3.1Å
168	P	47.8	Very low	47.7	Very low	128 Å²	128	142.3 Å²	142.3	83%	0.831	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-58.3	117.9	176.8	-20.8	31.9	0	0	0	110.5	L170	P168-L170 PolarHBondContact O-N 2.94Å; P168-L170 VanDerWaalsContact O-N 3.11Å
169	R	44.6	Very low	49.5	Very low	251 Å²	251	133.5 Å²	133.5	95%	0.947	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-62.8	117.2	176.3	-72.7	-171.2	-179.5	-164.2	1.3	108.9	S167	S167-R169 PolarHBondContact O-N 3.34Å; S167-R169 VanDerWaalsContact O-N 3.1Å
170	L	49.7	Very low	51.4	Low	155 Å²	155	133 Å²	133	81%	0.812	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-57.5	144.6	169.1	-71.4	165	0	0	0	109	P168 D172	P168-L170 PolarHBondContact O-N 2.94Å; P168-L170 VanDerWaalsContact O-N 3.11Å; L170-D172 PolarHBondContact O-N 2.89Å
171	P	48.4	Very low	53.2	Low	75 Å²	75	132.4 Å²	132.4	49%	0.487	69%	0.692	S	S	.	*	P	Polyproline II helix	trans	-57.6	129.3	178	-20.3	30.2	0	0	0	109.6
172	D	55.8	Low	55.2	Low	113 Å²	113	131.3 Å²	131.3	60%	0.604	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-60.2	155.7	-173.9	-149.4	-26.9	0	0	0	110.7	L170 D174 D175 K176	L170-D172 PolarHBondContact O-N 2.89Å; D172-D174 PolarHBondContact O-N 2.93Å; D172-D174 VanDerWaalsContact O-N 3.16Å; D172-D175 PolarHBondContact O-N 2.88Å; D172-K176 PolarHBondContact O-N 2.77Å
173	R	55.8	Low	56.9	Low	214 Å²	214	137 Å²	137	81%	0.808	68%	0.678	S	S	*	*	H	α-helix	trans	-56.8	-33.2	-179.7	-97.8	-176.8	168.7	-170.7	-1.3	111.4	Q177	R173-Q177 PolarHBondContact O-N 2.76Å; R173-Q177 VanDerWaalsContact O-N 3.15Å
174	D	62.7	Low	58.7	Low	99 Å²	99	132 Å²	132	53%	0.529	65%	0.654	S	S	.	*	H	α-helix	trans	-71.8	-40.6	-179.3	-72.6	-17.1	0	0	0	113.1	D172 K176 Q177 I178	D172-D174 PolarHBondContact O-N 2.93Å; D172-D174 VanDerWaalsContact O-N 3.16Å; D174-K176 VanDerWaalsContact C-N 3.27Å; D174-K176 PolarHBondContact O-N 3.28Å; D174-Q177 CarbonylContact O-C 3.56Å; D174-Q177 WeakPolarHBondContact O-CA 3.34Å; D174-Q177 PolarHBondContact O-N 2.72Å; D174-I178 VanDerWaalsContact O-CG1 3.29Å; D174-I178 WeakPolarHBondContact O-CG1 3.27Å; D174-I178 PolarHBondContact O-N 3.01Å
175	D	63.6	Low	60.7	Low	100 Å²	100	128 Å²	128	54%	0.535	64%	0.639	S	S	.	*	H	α-helix	trans	-58.5	-41.1	175.5	-86.7	-29.8	0	0	0	111.9	D172 I178 A179	D172-D175 PolarHBondContact O-N 2.88Å; D175-I178 PolarHBondContact O-N 2.57Å; D175-A179 WeakPolarHBondContact O-CB 3.42Å; D175-A179 PolarHBondContact O-N 2.98Å
176	K	63.4	Low	62.6	Low	134 Å²	134	130.1 Å²	130.1	58%	0.583	63%	0.633	S	S	*	*	H	α-helix	trans	-68	-34.2	175.3	-75.1	175.7	179.4	162.5	0	112.2	D172 D174 R180	D172-K176 PolarHBondContact O-N 2.77Å; D174-K176 VanDerWaalsContact C-N 3.27Å; D174-K176 PolarHBondContact O-N 3.28Å; K176-R180 WeakPolarHBondContact O-CB 3.31Å; K176-R180 PolarHBondContact O-N 3.09Å; K176-R180 VanDerWaalsContact O-N 3.15Å
177	Q	70.9	Confident	64.3	Low	105 Å²	105	135.8 Å²	135.8	49%	0.491	63%	0.631	S	S	.	*	H	α-helix	trans	-69.9	-42.8	172.6	-77.4	-160.9	22.9	0	0	112.4	R173 D174 R180 R181	R173-Q177 PolarHBondContact O-N 2.76Å; R173-Q177 VanDerWaalsContact O-N 3.15Å; D174-Q177 CarbonylContact O-C 3.56Å; D174-Q177 WeakPolarHBondContact O-CA 3.34Å; D174-Q177 PolarHBondContact O-N 2.72Å; Q177-R180 WeakPolarHBondContact O-CB 3.29Å; Q177-R180 PolarHBondContact O-N 3.36Å; Q177-R181 PolarHBondContact O-N 2.91Å
178	I	73.9	Confident	65.8	Low	86 Å²	86	139.5 Å²	139.5	44%	0.441	63%	0.628	S	S	.	*	H	α-helix	trans	-62.5	-47.2	178.6	-67.6	163	0	0	0	110.2	D174 D175 R180 R181 K182	D174-I178 VanDerWaalsContact O-CG1 3.29Å; D174-I178 WeakPolarHBondContact O-CG1 3.27Å; D174-I178 PolarHBondContact O-N 3.01Å; D175-I178 PolarHBondContact O-N 2.57Å; I178-R180 VanDerWaalsContact C-N 3.27Å; I178-R180 PolarHBondContact O-N 2.79Å; I178-R181 PolarHBondContact O-N 3.01Å; I178-K182 PolarHBondContact O-N 3.1Å
179	A	70.2	Confident	67.1	Low	51 Å²	51	137.8 Å²	137.8	42%	0.421	61%	0.612	S	S	.	*	H	α-helix	trans	-61.7	-34.1	175.7	0	0	0	0	0	112.7	D175 R183	D175-A179 WeakPolarHBondContact O-CB 3.42Å; D175-A179 PolarHBondContact O-N 2.98Å; A179-R183 WeakPolarHBondContact O-CG 3.38Å; A179-R183 PolarHBondContact O-N 2.83Å
180	R	72.5	Confident	68.3	Low	166 Å²	166	130.2 Å²	130.2	63%	0.626	59%	0.588	S	S	*	*	H	α-helix	trans	-70	-46.7	174.2	-178.3	176.8	169.9	-179.5	-4.7	111.9	K176 Q177 I178 R183 E184	K176-R180 WeakPolarHBondContact O-CB 3.31Å; K176-R180 PolarHBondContact O-N 3.09Å; K176-R180 VanDerWaalsContact O-N 3.15Å; Q177-R180 WeakPolarHBondContact O-CB 3.29Å; Q177-R180 PolarHBondContact O-N 3.36Å; I178-R180 VanDerWaalsContact C-N 3.27Å; I178-R180 PolarHBondContact O-N 2.79Å; R180-R183 PolarHBondContact O-N 2.93Å; R180-R183 VanDerWaalsContact O-N 3.16Å; R180-E184 IonicContact CZ-OE1 3.46Å; R180-E184 IonicContact NE-OE1 3.4Å; R180-E184 PolarHBondContact NE-OE1 2.8Å; R180-E184 IonicContact NH2-OE1 3.2Å; R180-E184 PolarHBondContact NH2-OE1 3.06Å; R180-E184 PolarHBondContact O-N 2.87Å
181	R	76.8	Confident	69.4	Low	174 Å²	174	130.6 Å²	130.6	66%	0.657	58%	0.583	S	S	*	*	H	α-helix	trans	-57.7	-49.8	177	-74.6	-176	-178.2	-176	3.7	111.4	Q177 I178 R183 E184 E185	Q177-R181 PolarHBondContact O-N 2.91Å; I178-R181 PolarHBondContact O-N 3.01Å; R181-R183 VanDerWaalsContact C-N 3.26Å; R181-R183 PolarHBondContact O-N 3.44Å; R181-E184 PolarHBondContact O-N 3.29Å; R181-E185 WeakPolarHBondContact O-CB 3.43Å; R181-E185 PolarHBondContact O-N 3Å
182	K	78	Confident	70.5	Confident	144 Å²	144	129.8 Å²	129.8	63%	0.626	58%	0.582	S	S	*	*	H	α-helix	trans	-58	-33.9	176.3	-72.9	-174.7	175.6	-178.8	0	113.3	I178 K186	I178-K182 PolarHBondContact O-N 3.1Å; K182-K186 WeakPolarHBondContact O-CB 3.11Å; K182-K186 PolarHBondContact O-N 3.07Å; K182-K186 VanDerWaalsContact O-N 3.16Å
183	R	72.1	Confident	71.3	Confident	194 Å²	194	134 Å²	134	73%	0.732	59%	0.589	S	S	*	*	H	α-helix	trans	-74.1	-36.5	174.8	-76.8	177	176.4	-176.5	0.7	113.1	A179 R180 R181 R187	A179-R183 WeakPolarHBondContact O-CG 3.38Å; A179-R183 PolarHBondContact O-N 2.83Å; R180-R183 PolarHBondContact O-N 2.93Å; R180-R183 VanDerWaalsContact O-N 3.16Å; R181-R183 VanDerWaalsContact C-N 3.26Å; R181-R183 PolarHBondContact O-N 3.44Å; R183-R187 WeakPolarHBondContact O-CG 3.26Å; R183-R187 PolarHBondContact O-N 2.99Å
184	E	75.4	Confident	71.8	Confident	79 Å²	79	131.7 Å²	131.7	37%	0.369	58%	0.581	S	S	.	*	H	α-helix	trans	-71.2	-38.5	177	-72.8	178.2	-171.4	0	0	111.5	R180 R181 R187 R188	R180-E184 IonicContact CZ-OE1 3.46Å; R180-E184 IonicContact NE-OE1 3.4Å; R180-E184 PolarHBondContact NE-OE1 2.8Å; R180-E184 IonicContact NH2-OE1 3.2Å; R180-E184 PolarHBondContact NH2-OE1 3.06Å; R180-E184 PolarHBondContact O-N 2.87Å; R181-E184 PolarHBondContact O-N 3.29Å; E184-R187 PolarHBondContact O-N 3.08Å; E184-R188 WeakPolarHBondContact O-CG 3.16Å; E184-R188 PolarHBondContact O-N 3.46Å
185	E	80	Confident	72	Confident	121 Å²	121	132.9 Å²	132.9	57%	0.565	58%	0.581	S	S	*	*	H	α-helix	trans	-61.7	-53.7	173.2	-172.8	165.9	-131.6	0	0	111.8	R181 R187 R188 D189	R181-E185 WeakPolarHBondContact O-CB 3.43Å; R181-E185 PolarHBondContact O-N 3Å; E185-R187 PolarHBondContact O-N 3.18Å; E185-R187 VanDerWaalsContact O-N 3.12Å; E185-R188 WeakPolarHBondContact O-CA 3.29Å; E185-R188 WeakPolarHBondContact O-CB 3.18Å; E185-R188 PolarHBondContact O-N 2.72Å; E185-D189 PolarHBondContact O-N 2.56Å
186	K	75.8	Confident	72	Confident	157 Å²	157	130.8 Å²	130.8	68%	0.683	58%	0.578	S	S	*	*	H	α-helix	trans	-56.5	-33	175.4	-168.9	171.2	-175.7	172.9	0	113.1	K182 E190	K182-K186 WeakPolarHBondContact O-CB 3.11Å; K182-K186 PolarHBondContact O-N 3.07Å; K182-K186 VanDerWaalsContact O-N 3.16Å; K186-E190 PolarHBondContact O-N 3.4Å; K186-E190 VanDerWaalsContact O-N 3.11Å
187	R	70.7	Confident	71.7	Confident	195 Å²	195	127.3 Å²	127.3	74%	0.736	57%	0.57	S	S	*	*	H	α-helix	trans	-72.1	-32.7	172.7	-77.9	179.7	71.8	-175.5	4.7	113.2	R183 E184 E185 K191	R183-R187 WeakPolarHBondContact O-CG 3.26Å; R183-R187 PolarHBondContact O-N 2.99Å; E184-R187 PolarHBondContact O-N 3.08Å; E185-R187 PolarHBondContact O-N 3.18Å; E185-R187 VanDerWaalsContact O-N 3.12Å; R187-K191 VanDerWaalsContact O-CB 3.27Å; R187-K191 WeakPolarHBondContact O-CB 3.38Å; R187-K191 PolarHBondContact O-N 2.86Å; R187-K191 VanDerWaalsContact O-N 3.13Å
188	R	73.1	Confident	71.1	Confident	189 Å²	189	128 Å²	128	71%	0.713	57%	0.573	S	S	*	*	H	α-helix	trans	-68.6	-46.6	173.6	-73.9	178.1	-179.6	-167	1	110.4	E184 E185 E190 K191 A192	E184-R188 WeakPolarHBondContact O-CG 3.16Å; E184-R188 PolarHBondContact O-N 3.46Å; E185-R188 WeakPolarHBondContact O-CA 3.29Å; E185-R188 WeakPolarHBondContact O-CB 3.18Å; E185-R188 PolarHBondContact O-N 2.72Å; R188-E190 PolarHBondContact O-N 3.33Å; R188-K191 CarbonylContact O-C 3.57Å; R188-K191 PolarHBondContact O-N 3.1Å; R188-K191 VanDerWaalsContact O-N 3.16Å; R188-A192 WeakPolarHBondContact O-CB 3.48Å; R188-A192 PolarHBondContact O-N 3Å
189	D	76.9	Confident	70.2	Confident	92 Å²	92	128.5 Å²	128.5	49%	0.492	57%	0.574	S	S	.	*	H	α-helix	trans	-60.7	-45.3	178.4	-69.3	-13.6	0	0	0	112.1	E185 K191 A192 R193	E185-D189 PolarHBondContact O-N 2.56Å; D189-K191 VanDerWaalsContact C-N 3.32Å; D189-K191 PolarHBondContact O-N 3.32Å; D189-A192 PolarHBondContact O-N 3.49Å; D189-R193 WeakPolarHBondContact O-CB 3.33Å; D189-R193 WeakPolarHBondContact O-CG 3.18Å; D189-R193 PolarHBondContact O-N 3.08Å
190	E	69.2	Low	69.2	Low	92 Å²	92	133 Å²	133	43%	0.43	59%	0.586	S	S	.	*	H	α-helix	trans	-67.2	-35.3	177.1	-163.6	178.9	147.7	0	0	111.8	K186 R188 A192 R194	K186-E190 PolarHBondContact O-N 3.4Å; K186-E190 VanDerWaalsContact O-N 3.11Å; R188-E190 PolarHBondContact O-N 3.33Å; E190-A192 VanDerWaalsContact C-N 3.35Å; E190-R194 WeakPolarHBondContact O-CB 3.38Å; E190-R194 WeakPolarHBondContact O-CG 3.28Å; E190-R194 PolarHBondContact O-N 2.88Å; E190-R194 IonicContact OE1-CZ 3.88Å; E190-R194 VanDerWaalsContact OE1-CZ 3.26Å; E190-R194 IonicContact OE1-NE 2.78Å; E190-R194 PolarHBondContact OE1-NE 2.81Å; E190-R194 VanDerWaalsContact OE1-NE 3.09Å; E190-R194 IonicContact OE1-NH2 3.88Å; E190-R194 PolarHBondContact OE1-NH2 3.39Å
191	K	72.8	Confident	68.2	Low	163 Å²	163	129.7 Å²	129.7	71%	0.709	58%	0.577	S	S	*	*	H	α-helix	trans	-67.6	-35.4	173.9	-164.2	176	-176	-176.2	0	111.8	R187 R188 D189 K195	R187-K191 VanDerWaalsContact O-CB 3.27Å; R187-K191 WeakPolarHBondContact O-CB 3.38Å; R187-K191 PolarHBondContact O-N 2.86Å; R187-K191 VanDerWaalsContact O-N 3.13Å; R188-K191 CarbonylContact O-C 3.57Å; R188-K191 PolarHBondContact O-N 3.1Å; R188-K191 VanDerWaalsContact O-N 3.16Å; D189-K191 VanDerWaalsContact C-N 3.32Å; D189-K191 PolarHBondContact O-N 3.32Å; K191-K195 WeakPolarHBondContact O-CB 3.42Å; K191-K195 PolarHBondContact O-N 2.93Å
192	A	71.7	Confident	66.8	Low	57 Å²	57	128.9 Å²	128.9	47%	0.471	58%	0.579	S	S	.	*	H	α-helix	trans	-68.4	-47.5	173.8	0	0	0	0	0	111.6	R188 D189 E190 R194 K195 A196	R188-A192 WeakPolarHBondContact O-CB 3.48Å; R188-A192 PolarHBondContact O-N 3Å; D189-A192 PolarHBondContact O-N 3.49Å; E190-A192 VanDerWaalsContact C-N 3.35Å; A192-R194 VanDerWaalsContact C-N 3.34Å; A192-R194 PolarHBondContact O-N 3.09Å; A192-K195 PolarHBondContact O-N 2.82Å; A192-K195 VanDerWaalsContact O-N 3.1Å; A192-A196 WeakPolarHBondContact O-CB 3.47Å; A192-A196 PolarHBondContact O-N 2.78Å
193	R	71.9	Confident	65.1	Low	201 Å²	201	131.9 Å²	131.9	76%	0.758	59%	0.586	S	S	*	*	H	α-helix	trans	-57.4	-44.5	173.3	-72.6	-179.8	-178.8	-154.8	-0.3	111.9	D189 A196 S197	D189-R193 WeakPolarHBondContact O-CB 3.33Å; D189-R193 WeakPolarHBondContact O-CG 3.18Å; D189-R193 PolarHBondContact O-N 3.08Å; R193-A196 PolarHBondContact O-N 2.87Å; R193-S197 WeakPolarHBondContact O-CB 3.33Å; R193-S197 PolarHBondContact O-N 2.84Å
194	R	65.6	Low	64	Low	166 Å²	166	132.1 Å²	132.1	63%	0.626	59%	0.592	S	S	*	*	H	α-helix	trans	-62.8	-40.6	174	-72.9	172.9	-175.1	-142.1	4.4	112	E190 A192 H198	E190-R194 WeakPolarHBondContact O-CB 3.38Å; E190-R194 WeakPolarHBondContact O-CG 3.28Å; E190-R194 PolarHBondContact O-N 2.88Å; E190-R194 IonicContact OE1-CZ 3.88Å; E190-R194 VanDerWaalsContact OE1-CZ 3.26Å; E190-R194 IonicContact OE1-NE 2.78Å; E190-R194 PolarHBondContact OE1-NE 2.81Å; E190-R194 VanDerWaalsContact OE1-NE 3.09Å; E190-R194 IonicContact OE1-NH2 3.88Å; E190-R194 PolarHBondContact OE1-NH2 3.39Å; A192-R194 VanDerWaalsContact C-N 3.34Å; A192-R194 PolarHBondContact O-N 3.09Å; R194-H198 WeakPolarHBondContact O-CB 3.26Å; R194-H198 PolarHBondContact O-N 2.89Å
195	K	66.6	Low	62.8	Low	124 Å²	124	132 Å²	132	54%	0.539	60%	0.598	S	S	.	*	H	α-helix	trans	-66.7	-44.8	176.7	-166.3	-172.2	179.6	-117.7	0	111.8	K191 A192 H198 E199	K191-K195 WeakPolarHBondContact O-CB 3.42Å; K191-K195 PolarHBondContact O-N 2.93Å; A192-K195 PolarHBondContact O-N 2.82Å; A192-K195 VanDerWaalsContact O-N 3.1Å; K195-H198 CarbonylContact O-C 3.47Å; K195-H198 WeakPolarHBondContact O-CA 3.2Å; K195-H198 WeakPolarHBondContact O-CB 3.47Å; K195-H198 PolarHBondContact O-N 3.32Å; K195-H198 VanDerWaalsContact O-N 3.09Å; K195-E199 WeakPolarHBondContact CE-OE1 3.4Å; K195-E199 IonicContact NZ-OE1 3.97Å; K195-E199 PolarHBondContact NZ-OE1 3.46Å; K195-E199 IonicContact NZ-OE2 3.23Å; K195-E199 PolarHBondContact NZ-OE2 3.48Å; K195-E199 PolarHBondContact O-N 2.93Å
196	A	64.1	Low	62	Low	56 Å²	56	131.5 Å²	131.5	46%	0.463	61%	0.608	S	S	.	*	H	α-helix	trans	-62	-43.9	176.8	0	0	0	0	0	111.8	A192 R193 H198 E199 H200	A192-A196 WeakPolarHBondContact O-CB 3.47Å; A192-A196 PolarHBondContact O-N 2.78Å; R193-A196 PolarHBondContact O-N 2.87Å; A196-H198 VanDerWaalsContact C-N 3.31Å; A196-H198 PolarHBondContact O-N 3.5Å; A196-E199 PolarHBondContact O-N 2.97Å; A196-H200 WeakPolarHBondContact O-CB 3.35Å; A196-H200 PolarHBondContact O-N 2.83Å
197	S	58.6	Low	61.7	Low	61 Å²	61	125.6 Å²	125.6	43%	0.427	59%	0.589	S	S	.	*	H	α-helix	trans	-57	-44.3	169.9	170.3	0	0	0	0	111.6	R193 E199 H200 H201	R193-S197 WeakPolarHBondContact O-CB 3.33Å; R193-S197 PolarHBondContact O-N 2.84Å; S197-E199 PolarHBondContact O-N 3.43Å; S197-H200 PolarHBondContact O-N 2.83Å; S197-H201 PolarHBondContact O-CD2 3.33Å; S197-H201 PolarHBondContact O-N 2.87Å; S197-H201 VanDerWaalsContact O-N 3.07Å
198	H	58.1	Low	62.3	Low	120 Å²	120	118 Å²	118	56%	0.556	56%	0.562	S	S	*	*	H	α-helix	trans	-70.2	-29.2	179.8	-149.9	85	0	0	0	113.7	R194 K195 A196	R194-H198 WeakPolarHBondContact O-CB 3.26Å; R194-H198 PolarHBondContact O-N 2.89Å; K195-H198 CarbonylContact O-C 3.47Å; K195-H198 WeakPolarHBondContact O-CA 3.2Å; K195-H198 WeakPolarHBondContact O-CB 3.47Å; K195-H198 PolarHBondContact O-N 3.32Å; K195-H198 VanDerWaalsContact O-N 3.09Å; A196-H198 VanDerWaalsContact C-N 3.31Å; A196-H198 PolarHBondContact O-N 3.5Å
199	E	54.3	Low	63	Low	96 Å²	96	109.2 Å²	109.2	45%	0.449	53%	0.53	S	S	.	.	H	α-helix	trans	-78.1	-35	172.5	-81	168	170.8	0	0	111.9	K195 A196 S197 H201 K202	K195-E199 WeakPolarHBondContact CE-OE1 3.4Å; K195-E199 IonicContact NZ-OE1 3.97Å; K195-E199 PolarHBondContact NZ-OE1 3.46Å; K195-E199 IonicContact NZ-OE2 3.23Å; K195-E199 PolarHBondContact NZ-OE2 3.48Å; K195-E199 PolarHBondContact O-N 2.93Å; A196-E199 PolarHBondContact O-N 2.97Å; S197-E199 PolarHBondContact O-N 3.43Å; E199-H201 VanDerWaalsContact C-N 3.3Å; E199-H201 PolarHBondContact O-N 3.48Å; E199-K202 WeakPolarHBondContact O-CB 3.32Å; E199-K202 PolarHBondContact O-N 2.8Å
200	H	48.8	Very low	63.7	Low	145 Å²	145	108 Å²	108	67%	0.671	53%	0.527	S	S	*	.	H	α-helix	trans	-61.4	-39.3	171.4	-163.1	78.7	0	0	0	111.4	A196 S197 K202 R203	A196-H200 WeakPolarHBondContact O-CB 3.35Å; A196-H200 PolarHBondContact O-N 2.83Å; S197-H200 PolarHBondContact O-N 2.83Å; H200-K202 PolarHBondContact O-N 3.07Å; H200-R203 PolarHBondContact O-N 2.96Å
201	H	51	Low	64.9	Low	98 Å²	98	107.7 Å²	107.7	45%	0.454	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	1.1	172.5	-70.4	-58.6	0	0	0	115.6	R21 S197 E199	R21-H201 PolarHBondContact NH1-CD2 2.78Å; R21-H201 PolarHBondContact NH2-CD2 2.7Å; R21-H201 PolarHBondContact NH2-CE1 2.85Å; R21-H201 PolarHBondContact NH2-NE2 2.98Å; S197-H201 PolarHBondContact O-CD2 3.33Å; S197-H201 PolarHBondContact O-N 2.87Å; S197-H201 VanDerWaalsContact O-N 3.07Å; E199-H201 VanDerWaalsContact C-N 3.3Å; E199-H201 PolarHBondContact O-N 3.48Å
202	K	47.4	Very low	66	Low	157 Å²	157	102 Å²	102	68%	0.683	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-17.6	173.4	-82.7	-176.8	176.7	180	0	114.2	E199 H200 K204	E199-K202 WeakPolarHBondContact O-CB 3.32Å; E199-K202 PolarHBondContact O-N 2.8Å; H200-K202 PolarHBondContact O-N 3.07Å; K202-K204 PolarHBondContact O-N 3.27Å
203	R	43.6	Very low	67.1	Low	206 Å²	206	103.2 Å²	103.2	78%	0.777	52%	0.518	S	S	*	.	S	Bend	trans	-68.8	125.7	160.9	-79.5	-178.6	164	151.8	-3.7	106.6	H200 P205	H200-R203 PolarHBondContact O-N 2.96Å; R203-P205 WeakPolarHBondContact O-CD 3.1Å
204	K	48.3	Very low	68.3	Low	200 Å²	200	97.1 Å²	97.1	87%	0.87	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-53	124	165.5	-83.6	-172	170.4	-169.1	0	106.5	K202 S206	K202-K204 PolarHBondContact O-N 3.27Å; K204-S206 PolarHBondContact O-N 2.99Å
205	P	51.4	Low	69.7	Low	76 Å²	76	89.2 Å²	89.2	49%	0.494	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-53.6	130	164.6	-22.7	35.1	0	0	0	107.4	R203	R203-P205 WeakPolarHBondContact O-CD 3.1Å
206	S	62	Low	71	Confident	110 Å²	110	87.6 Å²	87.6	77%	0.769	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-57.8	139.5	164.1	43	0	0	0	0	107.5	K204 I208	K204-S206 PolarHBondContact O-N 2.99Å; S206-I208 PolarHBondContact O-N 3.39Å
207	A	69.6	Low	72.5	Confident	34 Å²	34	96.2 Å²	96.2	28%	0.281	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-58.2	138.8	172.4	0	0	0	0	0	108.9	V209 I224 Q232	A207-V209 WeakPolarHBondContact CB-O 3.49Å; A207-V209 PolarHBondContact O-N 2.92Å; A207-I224 HydrophobicContact CB-CD1 4.06Å; A207-Q232 VanDerWaalsContact CA-OE1 3.26Å
208	I	83.2	Confident	74.3	Confident	34 Å²	34	95.9 Å²	95.9	17%	0.174	47%	0.472	C	S	.	.	S	Bend	trans	-55	-40.7	175.5	-67.3	171.8	0	0	0	109.2	S206 Q232 F234 A249 K251 H293	S206-I208 PolarHBondContact O-N 3.39Å; I208-Q232 HydrophobicContact CD1-CB 4.16Å; I208-Q232 HydrophobicContact CD1-CG 4.33Å; I208-F234 HydrophobicContact CB-CZ 4.23Å; I208-A249 HydrophobicContact CD1-CB 4.21Å; I208-A249 WeakPolarHBondContact CD1-O 3.37Å; I208-A249 HydrophobicContact CG2-CB 3.94Å; I208-K251 HydrophobicContact CD1-CG 3.83Å; I208-H293 WeakPolarHBondContact CG2-CE1 3.43Å; I208-H293 WeakPolarHBondContact CG2-ND1 3.41Å
209	V	88.6	Confident	76.2	Confident	5 Å²	5	90.2 Å²	90.2	3%	0.03	45%	0.446	C	S	.	.	S	Bend	trans	-131.7	125.7	170.3	-167.3	0	0	0	0	108.6	A207 D213 I215 V221 F234 Y295	A207-V209 WeakPolarHBondContact CB-O 3.49Å; A207-V209 PolarHBondContact O-N 2.92Å; V209-D213 HydrophobicContact CG1-CB 3.79Å; V209-I215 HydrophobicContact CB-CD1 4.4Å; V209-I215 HydrophobicContact CB-CG1 4.4Å; V209-I215 HydrophobicContact CG1-CD1 4.36Å; V209-I215 HydrophobicContact CG1-CG1 3.93Å; V209-I215 HydrophobicContact CG2-CD1 3.93Å; V209-I215 HydrophobicContact CG2-CG1 3.93Å; V209-V221 HydrophobicContact CB-CG2 4.06Å; V209-V221 HydrophobicContact CG1-CG2 3.65Å; V209-F234 HydrophobicContact CB-CE2 4.4Å; V209-F234 HydrophobicContact CB-CZ 4.12Å; V209-F234 HydrophobicContact CG2-CE2 4.3Å; V209-F234 HydrophobicContact CG2-CZ 4.39Å; V209-F234 WeakPolarHBondContact O-CE1 3.34Å; V209-Y295 HydrophobicContact CG2-CE1 4.17Å
210	P	91.1	Very high	78.3	Confident	66 Å²	66	89.5 Å²	89.5	43%	0.429	44%	0.439	S	S	.	.			trans	-57.4	152.6	170.2	-25.9	34.3	0	0	0	113.6	D213	P210-D213 VanDerWaalsContact CD-OD2 3.25Å; P210-D213 WeakPolarHBondContact CD-OD2 3.05Å; P210-D213 VanDerWaalsContact CG-OD2 3.31Å; P210-D213 WeakPolarHBondContact CG-OD2 3.34Å; P210-D213 PolarHBondContact O-N 2.8Å
211	V	94.4	Very high	80.6	Confident	86 Å²	86	82.6 Å²	82.6	52%	0.521	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	130.8	170	175	0	0	0	0	109.3	V221 E222 I224	V211-V221 HydrophobicContact CG2-CG1 4.2Å; V211-E222 VanDerWaalsContact CG1-O 3.26Å; V211-E222 WeakPolarHBondContact CG1-O 3.33Å; V211-I224 HydrophobicContact CG2-CG1 4.43Å
212	G	94.8	Very high	82.8	Confident	44 Å²	44	81.6 Å²	81.6	45%	0.454	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.6	-24.2	-174.2	0	0	0	0	0	114.3	V221	G212-V221 PolarHBondContact N-O 3.01Å
213	D	95.7	Very high	85.1	Confident	83 Å²	83	78.6 Å²	78.6	44%	0.444	39%	0.39	S	S	.	.			trans	-74.9	161.4	-178.8	-72.9	0.1	0	0	0	112.1	V209 P210 R220 V221	V209-D213 HydrophobicContact CG1-CB 3.79Å; P210-D213 VanDerWaalsContact CD-OD2 3.25Å; P210-D213 WeakPolarHBondContact CD-OD2 3.05Å; P210-D213 VanDerWaalsContact CG-OD2 3.31Å; P210-D213 WeakPolarHBondContact CG-OD2 3.34Å; P210-D213 PolarHBondContact O-N 2.8Å; D213-R220 CarbonylContact O-C 3.51Å; D213-R220 WeakPolarHBondContact O-CA 3.29Å; D213-V221 PolarHBondContact O-N 2.96Å
214	I	96.3	Very high	87.5	Confident	73 Å²	73	72.3 Å²	72.3	37%	0.374	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	108.8	-174.7	-52.6	173.5	0	0	0	111	R217 F219 R220 L239	I214-R217 VanDerWaalsContact CG2-C 3.49Å; I214-F219 CarbonylContact C-O 3.55Å; I214-F219 WeakPolarHBondContact CA-O 2.99Å; I214-R220 HydrophobicContact CG1-CB 4.15Å; I214-R220 HydrophobicContact CG1-CG 4.06Å; I214-L239 HydrophobicContact CD1-CD1 4.2Å; I214-L239 HydrophobicContact CG2-CD1 3.8Å
215	I	96	Very high	89.6	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	130.6	176.2	-56.1	165.4	0	0	0	109.4	V209 R217 R218 F219 V221 V247 F288 W290 Y295	V209-I215 HydrophobicContact CB-CD1 4.4Å; V209-I215 HydrophobicContact CB-CG1 4.4Å; V209-I215 HydrophobicContact CG1-CD1 4.36Å; V209-I215 HydrophobicContact CG1-CG1 3.93Å; V209-I215 HydrophobicContact CG2-CD1 3.93Å; V209-I215 HydrophobicContact CG2-CG1 3.93Å; I215-R217 PolarHBondContact O-N 2.91Å; I215-R218 PolarHBondContact O-N 3.17Å; I215-F219 HydrophobicContact CB-CB 4.24Å; I215-F219 PolarHBondContact N-O 2.69Å; I215-F219 PolarHBondContact O-N 3.21Å; I215-V221 HydrophobicContact CD1-CG2 3.8Å; I215-V221 HydrophobicContact CG1-CG2 4.16Å; I215-V247 HydrophobicContact CD1-CG1 4.31Å; I215-F288 HydrophobicContact CG2-CE2 3.72Å; I215-F288 HydrophobicContact CG2-CZ 3.86Å; I215-W290 HydrophobicContact CB-CE3 4.33Å; I215-W290 HydrophobicContact CB-CZ3 4.19Å; I215-W290 HydrophobicContact CG1-CZ3 4.18Å; I215-W290 HydrophobicContact CG2-CD2 4.16Å; I215-W290 HydrophobicContact CG2-CE3 3.7Å; I215-W290 HydrophobicContact CG2-CZ3 4.07Å; I215-Y295 HydrophobicContact CD1-CD1 4.18Å; I215-Y295 HydrophobicContact CD1-CE1 3.77Å; I215-Y295 HydrophobicContact CG1-CE1 4.28Å; I215-Y295 HydrophobicContact CG2-CD1 4.07Å; I215-Y295 HydrophobicContact CG2-CD2 4.48Å; I215-Y295 HydrophobicContact CG2-CE1 3.88Å; I215-Y295 HydrophobicContact CG2-CE2 4.33Å; I215-Y295 HydrophobicContact CG2-CG 4.37Å
216	K	94.8	Very high	91.3	Very high	90 Å²	90	64.4 Å²	64.4	39%	0.391	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	30.1	176.2	-164.4	174.7	169.9	-173.3	0	113.6	R218 F288 W290	K216-R218 PolarHBondContact O-N 3.42Å; K216-F288 HydrophobicContact CB-CD2 4.5Å; K216-F288 HydrophobicContact CB-CE2 3.96Å; K216-F288 HydrophobicContact CB-CZ 4.28Å; K216-F288 HydrophobicContact CD-CB 4.26Å; K216-F288 HydrophobicContact CD-CD1 3.98Å; K216-F288 HydrophobicContact CD-CD2 3.47Å; K216-F288 VanDerWaalsContact CD-CD2 3.47Å; K216-F288 HydrophobicContact CD-CE1 4.19Å; K216-F288 HydrophobicContact CD-CE2 3.7Å; K216-F288 HydrophobicContact CD-CG 3.62Å; K216-F288 HydrophobicContact CD-CZ 4.06Å; K216-F288 HydrophobicContact CG-CE2 4.46Å; K216-F288 VanDerWaalsContact NZ-CB 3.28Å; K216-W290 HydrophobicContact CB-CG 4.28Å; K216-W290 VanDerWaalsContact N-CE2 3.29Å
217	R	94.9	Very high	92.4	Very high	237 Å²	237	63.4 Å²	63.4	89%	0.894	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	15.6	-172.7	-57.5	-178.6	178.7	176.1	-0.3	115	I214 I215	I214-R217 VanDerWaalsContact CG2-C 3.49Å; I215-R217 PolarHBondContact O-N 2.91Å
218	R	97.1	Very high	92.7	Very high	54 Å²	54	63.7 Å²	63.7	20%	0.204	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125	-42	-173.4	178.9	173	167.9	-156.4	-8.2	113.8	I215 K216 D238 L239 D286	I215-R218 PolarHBondContact O-N 3.17Å; K216-R218 PolarHBondContact O-N 3.42Å; R218-D238 WeakPolarHBondContact CG-OD1 3.25Å; R218-D238 IonicContact CZ-OD1 3.27Å; R218-D238 IonicContact CZ-OD2 3.64Å; R218-D238 VanDerWaalsContact CZ-OD2 3.24Å; R218-D238 IonicContact NE-OD1 3.01Å; R218-D238 PolarHBondContact NE-OD1 2.84Å; R218-D238 IonicContact NE-OD2 2.98Å; R218-D238 PolarHBondContact NE-OD2 2.98Å; R218-D238 IonicContact NH2-OD2 2.7Å; R218-D238 PolarHBondContact NH2-OD2 2.85Å; R218-L239 VanDerWaalsContact O-CB 3.29Å; R218-L239 WeakPolarHBondContact O-CB 3.34Å; R218-L239 WeakPolarHBondContact O-CG 3.46Å; R218-L239 PolarHBondContact O-N 3.07Å; R218-D286 IonicContact CZ-OD2 3.84Å; R218-D286 IonicContact NH1-OD2 2.78Å; R218-D286 PolarHBondContact NH1-OD2 3.3Å
219	F	98	Very high	92.3	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	104.7	-172.7	-55.2	-83.4	0	0	0	110.2	I214 I215 C236 D238 V247 F288 V297	I214-F219 CarbonylContact C-O 3.55Å; I214-F219 WeakPolarHBondContact CA-O 2.99Å; I215-F219 HydrophobicContact CB-CB 4.24Å; I215-F219 PolarHBondContact N-O 2.69Å; I215-F219 PolarHBondContact O-N 3.21Å; F219-C236 HydrophobicContact CB-CB 3.86Å; F219-D238 HydrophobicContact CD1-CB 3.88Å; F219-D238 HydrophobicContact CE1-CB 3.89Å; F219-D238 VanDerWaalsContact CE1-OD2 3.29Å; F219-D238 WeakPolarHBondContact CE1-OD2 3.42Å; F219-V247 HydrophobicContact CB-CG2 4.47Å; F219-V247 HydrophobicContact CD1-CG2 4.19Å; F219-V247 HydrophobicContact CG-CG2 4.34Å; F219-F288 HydrophobicContact CD2-CE1 4.12Å; F219-F288 AromaticContact CD2-CZ 3.88Å; F219-F288 HydrophobicContact CD2-CZ 3.88Å; F219-F288 AromaticContact CE2-CE1 3.49Å; F219-F288 HydrophobicContact CE2-CE1 3.49Å; F219-F288 VanDerWaalsContact CE2-CE1 3.49Å; F219-F288 AromaticContact CE2-CZ 3.74Å; F219-F288 HydrophobicContact CE2-CZ 3.74Å; F219-F288 HydrophobicContact CZ-CE1 4.28Å; F219-V297 HydrophobicContact CE1-CG1 3.83Å; F219-V297 HydrophobicContact CE1-CG2 4.14Å; F219-V297 HydrophobicContact CE2-CG2 4.1Å; F219-V297 HydrophobicContact CZ-CG1 4.11Å; F219-V297 HydrophobicContact CZ-CG2 3.7Å
220	R	97.8	Very high	91.7	Very high	82 Å²	82	70.1 Å²	70.1	31%	0.309	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.4	173.5	-168.7	-168.1	-49.9	105.8	-2.4	109.4	D213 I214 E222 C236 F237 L239	D213-R220 CarbonylContact O-C 3.51Å; D213-R220 WeakPolarHBondContact O-CA 3.29Å; I214-R220 HydrophobicContact CG1-CB 4.15Å; I214-R220 HydrophobicContact CG1-CG 4.06Å; R220-E222 WeakPolarHBondContact CD-OE1 3.39Å; R220-E222 IonicContact CZ-OE1 3.87Å; R220-E222 IonicContact NH1-OE1 2.89Å; R220-E222 PolarHBondContact NH1-OE1 3.4Å; R220-E222 PolarHBondContact O-N 2.88Å; R220-C236 CarbonylContact O-C 3.5Å; R220-C236 WeakPolarHBondContact O-CA 3.41Å; R220-C236 WeakPolarHBondContact O-CB 3.5Å; R220-F237 PolarHBondContact N-O 2.89Å; R220-F237 PolarHBondContact O-N 3.25Å; R220-L239 VanDerWaalsContact NH2-CD2 3.28Å
221	V	97.5	Very high	91.5	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	112.8	178.3	-179.5	0	0	0	0	110	V209 V211 G212 D213 I215 F234	V209-V221 HydrophobicContact CB-CG2 4.06Å; V209-V221 HydrophobicContact CG1-CG2 3.65Å; V211-V221 HydrophobicContact CG2-CG1 4.2Å; G212-V221 PolarHBondContact N-O 3.01Å; D213-V221 PolarHBondContact O-N 2.96Å; I215-V221 HydrophobicContact CD1-CG2 3.8Å; I215-V221 HydrophobicContact CG1-CG2 4.16Å; V221-F234 HydrophobicContact CG1-CB 4.18Å; V221-F234 HydrophobicContact CG1-CD1 3.6Å; V221-F234 HydrophobicContact CG1-CE1 4.31Å; V221-F234 HydrophobicContact CG1-CG 4.11Å; V221-F234 HydrophobicContact CG2-CG 4.5Å
222	E	97.2	Very high	91.4	Very high	76 Å²	76	63.4 Å²	63.4	36%	0.355	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-40.1	-179.6	-60.3	-65.2	160.7	0	0	111.4	V211 R220 E235 F237 L244	V211-E222 VanDerWaalsContact CG1-O 3.26Å; V211-E222 WeakPolarHBondContact CG1-O 3.33Å; R220-E222 WeakPolarHBondContact CD-OE1 3.39Å; R220-E222 IonicContact CZ-OE1 3.87Å; R220-E222 IonicContact NH1-OE1 2.89Å; R220-E222 PolarHBondContact NH1-OE1 3.4Å; R220-E222 PolarHBondContact O-N 2.88Å; E222-E235 PolarHBondContact N-O 3.18Å; E222-F237 HydrophobicContact CG-CB 3.93Å; E222-F237 WeakPolarHBondContact OE1-CB 3.32Å; E222-L244 HydrophobicContact CG-CD2 4.36Å
223	K	95.3	Very high	91.4	Very high	95 Å²	95	63.5 Å²	63.5	41%	0.413	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	163.5	170.7	60.2	169	-178.9	-84.3	0	113.2	L225 F234 E235	K223-L225 HydrophobicContact CD-CD2 4.5Å; K223-F234 CarbonylContact O-C 3.56Å; K223-F234 WeakPolarHBondContact O-CA 3.41Å; K223-E235 VanDerWaalsContact CE-OE2 3.24Å; K223-E235 WeakPolarHBondContact CE-OE2 3.4Å; K223-E235 HydrophobicContact CG-CB 3.71Å; K223-E235 PolarHBondContact N-O 3.42Å; K223-E235 IonicContact NZ-OE1 3.59Å; K223-E235 PolarHBondContact NZ-OE1 2.89Å; K223-E235 IonicContact NZ-OE2 2.84Å; K223-E235 PolarHBondContact NZ-OE2 2.88Å; K223-E235 PolarHBondContact O-N 2.97Å
224	I	93.8	Very high	91.4	Very high	74 Å²	74	59.5 Å²	59.5	38%	0.379	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	125	167.9	-55.5	176.8	0	0	0	108.5	A207 V211 F234	A207-I224 HydrophobicContact CB-CD1 4.06Å; V211-I224 HydrophobicContact CG2-CG1 4.43Å; I224-F234 HydrophobicContact CD1-CE1 4.46Å; I224-F234 HydrophobicContact CG1-CD1 3.95Å; I224-F234 HydrophobicContact CG1-CE1 3.88Å
225	L	92.8	Very high	91.5	Very high	81 Å²	81	57.2 Å²	57.2	42%	0.424	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-36.3	174.5	-68.4	173.6	0	0	0	112	K223 V233 E235 A246 L300	K223-L225 HydrophobicContact CD-CD2 4.5Å; L225-V233 HydrophobicContact CB-CB 4.44Å; L225-V233 HydrophobicContact CB-CG1 4.26Å; L225-V233 HydrophobicContact CD1-CG1 4.27Å; L225-V233 PolarHBondContact N-O 2.9Å; L225-E235 HydrophobicContact CD1-CB 3.94Å; L225-E235 HydrophobicContact CD2-CB 4.05Å; L225-E235 HydrophobicContact CG-CB 3.87Å; L225-A246 HydrophobicContact CD1-CB 4.2Å; L225-L300 HydrophobicContact CD1-CD1 3.74Å
226	G	87	Confident	91.6	Very high	29 Å²	29	57.2 Å²	57.2	30%	0.299	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	161	179.5	0	0	0	0	0	113.7	Q232 V233	G226-Q232 WeakPolarHBondContact O-CA 3.46Å; G226-V233 PolarHBondContact N-O 3.37Å; G226-V233 VanDerWaalsContact N-O 3.17Å; G226-V233 PolarHBondContact O-N 3.11Å
227	E	85.7	Confident	91.8	Very high	89 Å²	89	55.2 Å²	55.2	42%	0.416	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	137.1	172.3	178	168.2	173.8	0	0	110.1	Q232 K251	E227-Q232 HydrophobicContact CB-CG 3.93Å; E227-Q232 HydrophobicContact CG-CG 3.74Å; E227-Q232 PolarHBondContact OE2-NE2 2.79Å; E227-K251 IonicContact OE1-NZ 3.29Å; E227-K251 PolarHBondContact OE1-NZ 3.35Å
228	G	75.8	Confident	91.9	Very high	40 Å²	40	44 Å²	44	41%	0.412	23%	0.23	S	C	.	.			trans	-134.9	-173.5	178.2	0	0	0	0	0	113.5	Y230 G231 K251	G228-Y230 VanDerWaalsContact C-N 3.31Å; G228-G231 PolarHBondContact N-O 3.33Å; G228-K251 PolarHBondContact O-NZ 3.24Å
229	S	73.1	Confident	91.9	Very high	79 Å²	79	44.6 Å²	44.6	55%	0.552	24%	0.237	S	C	*	.	S	Bend	trans	-56.4	-46.2	170.1	34.3	0	0	0	0	111.8
230	Y	77.4	Confident	91.8	Very high	94 Å²	94	54 Å²	54	37%	0.369	27%	0.274	S	S	.	.	S	Bend	trans	-77.6	-26.9	-172.2	-54.3	-77.4	0	0	0	114.4	G228 L250 K251 Y256	G228-Y230 VanDerWaalsContact C-N 3.31Å; Y230-L250 WeakPolarHBondContact O-CA 3.35Å; Y230-K251 PolarHBondContact O-N 3.13Å; Y230-Y256 AromaticContact CD1-CE1 3.74Å; Y230-Y256 HydrophobicContact CD1-CE1 3.74Å; Y230-Y256 HydrophobicContact CE1-CE1 4.25Å
231	G	86.6	Confident	91.7	Very high	7 Å²	7	53.5 Å²	53.5	7%	0.072	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.1	-165.6	-163.9	0	0	0	0	0	115	G228 A249	G228-G231 PolarHBondContact N-O 3.33Å; G231-A249 CarbonylContact C-O 3.56Å; G231-A249 WeakPolarHBondContact CA-O 3.48Å
232	Q	91.8	Very high	91.6	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.019	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	147.9	168.3	-75.6	178.4	-32.5	0	0	109.5	A207 I208 G226 E227 F234 A249	A207-Q232 VanDerWaalsContact CA-OE1 3.26Å; I208-Q232 HydrophobicContact CD1-CB 4.16Å; I208-Q232 HydrophobicContact CD1-CG 4.33Å; G226-Q232 WeakPolarHBondContact O-CA 3.46Å; E227-Q232 HydrophobicContact CB-CG 3.93Å; E227-Q232 HydrophobicContact CG-CG 3.74Å; E227-Q232 PolarHBondContact OE2-NE2 2.79Å; Q232-F234 HydrophobicContact CB-CE1 4.3Å; Q232-F234 HydrophobicContact CB-CE2 4.02Å; Q232-F234 HydrophobicContact CB-CZ 3.72Å; Q232-A249 PolarHBondContact N-O 2.84Å; Q232-A249 PolarHBondContact O-N 2.81Å
233	V	94.6	Very high	91.6	Very high	46 Å²	46	58.2 Å²	58.2	28%	0.279	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.4	174.2	-173.9	0	0	0	0	108	L225 G226 A246 V247 K248	L225-V233 HydrophobicContact CB-CB 4.44Å; L225-V233 HydrophobicContact CB-CG1 4.26Å; L225-V233 HydrophobicContact CD1-CG1 4.27Å; L225-V233 PolarHBondContact N-O 2.9Å; G226-V233 PolarHBondContact N-O 3.37Å; G226-V233 VanDerWaalsContact N-O 3.17Å; G226-V233 PolarHBondContact O-N 3.11Å; V233-A246 HydrophobicContact CG1-CB 4.48Å; V233-V247 CarbonylContact C-O 3.46Å; V233-V247 WeakPolarHBondContact CA-O 3.15Å; V233-K248 HydrophobicContact CG2-CB 4.26Å; V233-K248 HydrophobicContact CG2-CG 4.14Å
234	F	96.3	Very high	91.7	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	147.7	-178.8	-55.5	-77.7	0	0	0	110.6	I208 V209 V221 K223 I224 Q232 A246 V247 A249	I208-F234 HydrophobicContact CB-CZ 4.23Å; V209-F234 HydrophobicContact CB-CE2 4.4Å; V209-F234 HydrophobicContact CB-CZ 4.12Å; V209-F234 HydrophobicContact CG2-CE2 4.3Å; V209-F234 HydrophobicContact CG2-CZ 4.39Å; V209-F234 WeakPolarHBondContact O-CE1 3.34Å; V221-F234 HydrophobicContact CG1-CB 4.18Å; V221-F234 HydrophobicContact CG1-CD1 3.6Å; V221-F234 HydrophobicContact CG1-CE1 4.31Å; V221-F234 HydrophobicContact CG1-CG 4.11Å; V221-F234 HydrophobicContact CG2-CG 4.5Å; K223-F234 CarbonylContact O-C 3.56Å; K223-F234 WeakPolarHBondContact O-CA 3.41Å; I224-F234 HydrophobicContact CD1-CE1 4.46Å; I224-F234 HydrophobicContact CG1-CD1 3.95Å; I224-F234 HydrophobicContact CG1-CE1 3.88Å; Q232-F234 HydrophobicContact CB-CE1 4.3Å; Q232-F234 HydrophobicContact CB-CE2 4.02Å; Q232-F234 HydrophobicContact CB-CZ 3.72Å; F234-A246 CarbonylContact O-C 3.55Å; F234-A246 WeakPolarHBondContact O-CA 3.19Å; F234-V247 PolarHBondContact N-O 3.29Å; F234-V247 PolarHBondContact O-N 2.79Å; F234-A249 HydrophobicContact CD2-CB 4.37Å; F234-A249 HydrophobicContact CE2-CB 3.73Å
235	E	97.7	Very high	91.9	Very high	24 Å²	24	54 Å²	54	11%	0.112	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	123.3	155.6	-176.6	175.9	93.1	0	0	106.9	E222 K223 L225 L244 L300	E222-E235 PolarHBondContact N-O 3.18Å; K223-E235 VanDerWaalsContact CE-OE2 3.24Å; K223-E235 WeakPolarHBondContact CE-OE2 3.4Å; K223-E235 HydrophobicContact CG-CB 3.71Å; K223-E235 PolarHBondContact N-O 3.42Å; K223-E235 IonicContact NZ-OE1 3.59Å; K223-E235 PolarHBondContact NZ-OE1 2.89Å; K223-E235 IonicContact NZ-OE2 2.84Å; K223-E235 PolarHBondContact NZ-OE2 2.88Å; K223-E235 PolarHBondContact O-N 2.97Å; L225-E235 HydrophobicContact CD1-CB 3.94Å; L225-E235 HydrophobicContact CD2-CB 4.05Å; L225-E235 HydrophobicContact CG-CB 3.87Å; E235-L244 HydrophobicContact CG-CD2 4.18Å; E235-L300 HydrophobicContact CG-CD1 4.24Å; E235-L300 HydrophobicContact CG-CD2 4.01Å; E235-L300 WeakPolarHBondContact OE2-CD2 3.4Å
236	C	98.2	Very high	92.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141.2	-179.8	-64.7	0	0	0	0	111.5	F219 R220 L244 T245 V247	F219-C236 HydrophobicContact CB-CB 3.86Å; R220-C236 CarbonylContact O-C 3.5Å; R220-C236 WeakPolarHBondContact O-CA 3.41Å; R220-C236 WeakPolarHBondContact O-CB 3.5Å; C236-L244 CarbonylContact O-C 3.57Å; C236-L244 WeakPolarHBondContact O-CA 3.5Å; C236-T245 PolarHBondContact N-O 2.94Å; C236-T245 PolarHBondContact O-N 3.38Å; C236-T245 PolarHBondContact O-OG1 2.93Å; C236-T245 VanDerWaalsContact O-OG1 3.1Å; C236-V247 HydrophobicContact CB-CG2 3.81Å
237	F	98.3	Very high	92.6	Very high	49 Å²	49	49.4 Å²	49.4	22%	0.215	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	114.3	165.9	-168	-93.3	0	0	0	109	R220 E222 L239 N242 L244	R220-F237 PolarHBondContact N-O 2.89Å; R220-F237 PolarHBondContact O-N 3.25Å; E222-F237 HydrophobicContact CG-CB 3.93Å; E222-F237 WeakPolarHBondContact OE1-CB 3.32Å; F237-L239 HydrophobicContact CD1-CD2 3.96Å; F237-L239 HydrophobicContact CE1-CD2 4.36Å; F237-L239 PolarHBondContact O-N 2.64Å; F237-N242 HydrophobicContact CZ-CB 4.47Å; F237-N242 WeakPolarHBondContact CZ-OD1 3.22Å; F237-L244 HydrophobicContact CB-CD2 4.23Å; F237-L244 HydrophobicContact CD2-CD2 3.96Å; F237-L244 HydrophobicContact CD2-CG 4.5Å
238	D	97.9	Very high	93.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	111.8	173.9	-175.1	-16.3	0	0	0	108.9	R218 F219 Y240 T241 N242 S243 T245	R218-D238 WeakPolarHBondContact CG-OD1 3.25Å; R218-D238 IonicContact CZ-OD1 3.27Å; R218-D238 IonicContact CZ-OD2 3.64Å; R218-D238 VanDerWaalsContact CZ-OD2 3.24Å; R218-D238 IonicContact NE-OD1 3.01Å; R218-D238 PolarHBondContact NE-OD1 2.84Å; R218-D238 IonicContact NE-OD2 2.98Å; R218-D238 PolarHBondContact NE-OD2 2.98Å; R218-D238 IonicContact NH2-OD2 2.7Å; R218-D238 PolarHBondContact NH2-OD2 2.85Å; F219-D238 HydrophobicContact CD1-CB 3.88Å; F219-D238 HydrophobicContact CE1-CB 3.89Å; F219-D238 VanDerWaalsContact CE1-OD2 3.29Å; F219-D238 WeakPolarHBondContact CE1-OD2 3.42Å; D238-Y240 PolarHBondContact O-N 2.83Å; D238-Y240 VanDerWaalsContact OD1-CB 3.31Å; D238-Y240 WeakPolarHBondContact OD1-CB 3.37Å; D238-Y240 PolarHBondContact OD1-N 2.63Å; D238-T241 WeakPolarHBondContact CB-OG1 3.36Å; D238-T241 VanDerWaalsContact CG-OG1 3.28Å; D238-T241 PolarHBondContact OD1-N 3.1Å; D238-T241 PolarHBondContact OD2-OG1 3.43Å; D238-N242 VanDerWaalsContact O-CA 3.27Å; D238-N242 WeakPolarHBondContact O-CA 3.17Å; D238-N242 PolarHBondContact O-N 3.19Å; D238-S243 PolarHBondContact N-O 2.99Å; D238-S243 PolarHBondContact O-N 3.38Å; D238-T245 HydrophobicContact CB-CG2 4.11Å
239	L	96.9	Very high	93.9	Very high	67 Å²	67	44.2 Å²	44.2	35%	0.351	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.3	-178.8	-60.3	169.7	0	0	0	113	I214 R218 R220 F237	I214-L239 HydrophobicContact CD1-CD1 4.2Å; I214-L239 HydrophobicContact CG2-CD1 3.8Å; R218-L239 VanDerWaalsContact O-CB 3.29Å; R218-L239 WeakPolarHBondContact O-CB 3.34Å; R218-L239 WeakPolarHBondContact O-CG 3.46Å; R218-L239 PolarHBondContact O-N 3.07Å; R220-L239 VanDerWaalsContact NH2-CD2 3.28Å; F237-L239 HydrophobicContact CD1-CD2 3.96Å; F237-L239 HydrophobicContact CE1-CD2 4.36Å; F237-L239 PolarHBondContact O-N 2.64Å
240	Y	95.9	Very high	94.6	Very high	197 Å²	197	41 Å²	41	77%	0.773	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-45.2	178.9	-174.2	-103.4	0	0	0	111.7	D238	D238-Y240 PolarHBondContact O-N 2.83Å; D238-Y240 VanDerWaalsContact OD1-CB 3.31Å; D238-Y240 WeakPolarHBondContact OD1-CB 3.37Å; D238-Y240 PolarHBondContact OD1-N 2.63Å
241	T	95.6	Very high	94.7	Very high	72 Å²	72	38.8 Å²	38.8	44%	0.442	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-8.8	179.4	62.6	0	0	0	0	113.8	D238 S243	D238-T241 WeakPolarHBondContact CB-OG1 3.36Å; D238-T241 VanDerWaalsContact CG-OG1 3.28Å; D238-T241 PolarHBondContact OD1-N 3.1Å; D238-T241 PolarHBondContact OD2-OG1 3.43Å; T241-S243 VanDerWaalsContact C-N 3.3Å; T241-S243 PolarHBondContact O-N 3.43Å; T241-S243 PolarHBondContact OG1-OG 2.84Å
242	N	96.3	Very high	93.9	Very high	125 Å²	125	41.7 Å²	41.7	67%	0.668	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	40.3	-177	-167.2	73.5	0	0	0	112.6	F237 D238	F237-N242 HydrophobicContact CZ-CB 4.47Å; F237-N242 WeakPolarHBondContact CZ-OD1 3.22Å; D238-N242 VanDerWaalsContact O-CA 3.27Å; D238-N242 WeakPolarHBondContact O-CA 3.17Å; D238-N242 PolarHBondContact O-N 3.19Å
243	S	96.8	Very high	92.6	Very high	49 Å²	49	47.1 Å²	47.1	34%	0.343	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	159	-175.8	65.7	0	0	0	0	112.4	D238 T241	D238-S243 PolarHBondContact N-O 2.99Å; D238-S243 PolarHBondContact O-N 3.38Å; T241-S243 VanDerWaalsContact C-N 3.3Å; T241-S243 PolarHBondContact O-N 3.43Å; T241-S243 PolarHBondContact OG1-OG 2.84Å
244	L	97.7	Very high	91	Very high	79 Å²	79	50 Å²	50	41%	0.414	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	143.1	171.5	-65.6	172.2	0	0	0	111.3	E222 E235 C236 F237 L300	E222-L244 HydrophobicContact CG-CD2 4.36Å; E235-L244 HydrophobicContact CG-CD2 4.18Å; C236-L244 CarbonylContact O-C 3.57Å; C236-L244 WeakPolarHBondContact O-CA 3.5Å; F237-L244 HydrophobicContact CB-CD2 4.23Å; F237-L244 HydrophobicContact CD2-CD2 3.96Å; F237-L244 HydrophobicContact CD2-CG 4.5Å; L244-L300 HydrophobicContact CB-CB 4.49Å; L244-L300 HydrophobicContact CB-CD2 3.69Å; L244-L300 HydrophobicContact CD1-CD2 4.04Å; L244-L300 HydrophobicContact CG-CD2 4.48Å
245	T	98.1	Very high	89.2	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.018	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	158.4	180	54.9	0	0	0	0	110	C236 D238 I285 V297	C236-T245 PolarHBondContact N-O 2.94Å; C236-T245 PolarHBondContact O-N 3.38Å; C236-T245 PolarHBondContact O-OG1 2.93Å; C236-T245 VanDerWaalsContact O-OG1 3.1Å; D238-T245 HydrophobicContact CB-CG2 4.11Å; T245-I285 HydrophobicContact CG2-CD1 4.25Å; T245-V297 HydrophobicContact CG2-CG1 4.29Å
246	A	97.9	Very high	87.4	Confident	12 Å²	12	57 Å²	57	10%	0.099	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129	168.4	0	0	0	0	0	109.4	L225 V233 F234 F298 L300	L225-A246 HydrophobicContact CD1-CB 4.2Å; V233-A246 HydrophobicContact CG1-CB 4.48Å; F234-A246 CarbonylContact O-C 3.55Å; F234-A246 WeakPolarHBondContact O-CA 3.19Å; A246-F298 HydrophobicContact CB-CB 4.31Å; A246-F298 PolarHBondContact N-O 3.01Å; A246-F298 PolarHBondContact O-N 2.9Å; A246-L300 HydrophobicContact CB-CD1 4.23Å
247	V	97	Very high	85.9	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	112.8	-178.3	-178.4	0	0	0	0	109.8	I215 F219 V233 F234 C236 Y295 I296 V297	I215-V247 HydrophobicContact CD1-CG1 4.31Å; F219-V247 HydrophobicContact CB-CG2 4.47Å; F219-V247 HydrophobicContact CD1-CG2 4.19Å; F219-V247 HydrophobicContact CG-CG2 4.34Å; V233-V247 CarbonylContact C-O 3.46Å; V233-V247 WeakPolarHBondContact CA-O 3.15Å; F234-V247 PolarHBondContact N-O 3.29Å; F234-V247 PolarHBondContact O-N 2.79Å; C236-V247 HydrophobicContact CB-CG2 3.81Å; V247-Y295 HydrophobicContact CG1-CD1 3.77Å; V247-I296 WeakPolarHBondContact CA-O 3.21Å; V247-V297 HydrophobicContact CG2-CG1 4.34Å; V247-V297 HydrophobicContact CG2-CG2 4.34Å
248	K	94.5	Very high	85	Confident	20 Å²	20	62.1 Å²	62.1	9%	0.087	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	111.5	174.7	-174.1	-177.5	-163.3	-176.1	0	108.6	V233 L250 E263 Y295 I296 F298 D382	V233-K248 HydrophobicContact CG2-CB 4.26Å; V233-K248 HydrophobicContact CG2-CG 4.14Å; K248-L250 HydrophobicContact CD-CD2 4.33Å; K248-L250 HydrophobicContact CG-CD2 4.26Å; K248-E263 IonicContact NZ-OE1 3.76Å; K248-E263 PolarHBondContact NZ-OE1 3.05Å; K248-E263 IonicContact NZ-OE2 3.21Å; K248-E263 PolarHBondContact NZ-OE2 2.86Å; K248-Y295 CarbonylContact O-C 3.58Å; K248-Y295 VanDerWaalsContact O-CA 3.3Å; K248-Y295 WeakPolarHBondContact O-CA 3.24Å; K248-I296 HydrophobicContact CB-CB 4.48Å; K248-I296 PolarHBondContact N-O 3.46Å; K248-I296 PolarHBondContact O-N 3.04Å; K248-F298 HydrophobicContact CB-CE2 4.02Å; K248-F298 HydrophobicContact CD-CE2 4.36Å; K248-D382 IonicContact NZ-OD1 2.62Å; K248-D382 PolarHBondContact NZ-OD1 3.19Å
249	A	92.5	Very high	84.2	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.7	172.2	0	0	0	0	0	110.2	I208 G231 Q232 F234 Y295	I208-A249 HydrophobicContact CD1-CB 4.21Å; I208-A249 WeakPolarHBondContact CD1-O 3.37Å; I208-A249 HydrophobicContact CG2-CB 3.94Å; G231-A249 CarbonylContact C-O 3.56Å; G231-A249 WeakPolarHBondContact CA-O 3.48Å; Q232-A249 PolarHBondContact N-O 2.84Å; Q232-A249 PolarHBondContact O-N 2.81Å; F234-A249 HydrophobicContact CD2-CB 4.37Å; F234-A249 HydrophobicContact CE2-CB 3.73Å; A249-Y295 HydrophobicContact CB-CD1 3.59Å; A249-Y295 HydrophobicContact CB-CE1 3.38Å
250	L	88.1	Confident	83.4	Confident	12 Å²	12	60.7 Å²	60.7	6%	0.063	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	147.9	178.4	-58.6	179.5	0	0	0	111	Y230 K248 A260 H293 F294	Y230-L250 WeakPolarHBondContact O-CA 3.35Å; K248-L250 HydrophobicContact CD-CD2 4.33Å; K248-L250 HydrophobicContact CG-CD2 4.26Å; L250-A260 HydrophobicContact CD1-CB 3.54Å; L250-H293 PolarHBondContact O-ND1 2.93Å; L250-F294 HydrophobicContact CB-CB 4.4Å; L250-F294 HydrophobicContact CD1-CB 4.28Å; L250-F294 HydrophobicContact CD1-CD1 4.22Å; L250-F294 PolarHBondContact N-O 3.23Å
251	K	80	Confident	82.9	Confident	48 Å²	48	59.1 Å²	59.1	21%	0.209	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-76.2	139.8	178.4	-76.7	162.8	179.2	167.9	0	110	I208 E227 G228 Y230 Q253 Y256	I208-K251 HydrophobicContact CD1-CG 3.83Å; E227-K251 IonicContact OE1-NZ 3.29Å; E227-K251 PolarHBondContact OE1-NZ 3.35Å; G228-K251 PolarHBondContact O-NZ 3.24Å; Y230-K251 PolarHBondContact O-N 3.13Å; K251-Q253 PolarHBondContact O-N 3.44Å; K251-Y256 VanDerWaalsContact O-CD2 3.29Å; K251-Y256 WeakPolarHBondContact O-CD2 3.26Å
252	P	70.4	Confident	82.7	Confident	68 Å²	68	58.1 Å²	58.1	44%	0.442	31%	0.313	S	S	.	.			trans	-76.5	115.6	179.3	-7.7	27.4	0	0	0	108.4	H293	P252-H293 WeakPolarHBondContact CD-CE1 3.25Å; P252-H293 WeakPolarHBondContact CG-CE1 3.41Å
253	Q	63.6	Low	82.4	Confident	118 Å²	118	52.6 Å²	52.6	55%	0.551	28%	0.283	S	S	*	.			trans	-145.1	154.1	165.5	-58.1	-172	-17.4	0	0	108.1	K251 D255 Y256	K251-Q253 PolarHBondContact O-N 3.44Å; Q253-D255 PolarHBondContact O-N 3.04Å; Q253-Y256 HydrophobicContact CB-CD2 3.56Å; Q253-Y256 HydrophobicContact CB-CE2 4.05Å; Q253-Y256 HydrophobicContact CB-CG 4.42Å; Q253-Y256 HydrophobicContact CG-CD2 3.73Å; Q253-Y256 HydrophobicContact CG-CE2 3.82Å; Q253-Y256 PolarHBondContact O-N 3.38Å; Q253-Y256 VanDerWaalsContact O-N 3.08Å; Q253-Y256 VanDerWaalsContact OE1-CE2 3.23Å
254	S	61	Low	82.2	Confident	106 Å²	106	50.7 Å²	50.7	74%	0.741	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-29.5	-179.4	46.5	0	0	0	0	114.2
255	D	59.9	Low	82	Confident	120 Å²	120	50.5 Å²	50.5	64%	0.642	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-9.6	-170.7	-48.6	1.4	0	0	0	111.7	Q253	Q253-D255 PolarHBondContact O-N 3.04Å
256	Y	59.2	Low	81.9	Confident	52 Å²	52	50.4 Å²	50.4	20%	0.204	27%	0.268	C	S	.	.	H	α-helix	trans	-87.4	-8.5	-177.1	-76.9	-47.2	0	0	0	114.4	Y230 K251 Q253 D258 A259 A260	Y230-Y256 AromaticContact CD1-CE1 3.74Å; Y230-Y256 HydrophobicContact CD1-CE1 3.74Å; Y230-Y256 HydrophobicContact CE1-CE1 4.25Å; K251-Y256 VanDerWaalsContact O-CD2 3.29Å; K251-Y256 WeakPolarHBondContact O-CD2 3.26Å; Q253-Y256 HydrophobicContact CB-CD2 3.56Å; Q253-Y256 HydrophobicContact CB-CE2 4.05Å; Q253-Y256 HydrophobicContact CB-CG 4.42Å; Q253-Y256 HydrophobicContact CG-CD2 3.73Å; Q253-Y256 HydrophobicContact CG-CE2 3.82Å; Q253-Y256 PolarHBondContact O-N 3.38Å; Q253-Y256 VanDerWaalsContact O-N 3.08Å; Q253-Y256 VanDerWaalsContact OE1-CE2 3.23Å; Y256-D258 PolarHBondContact O-N 3.24Å; Y256-A259 HydrophobicContact CD1-CB 3.83Å; Y256-A259 PolarHBondContact O-N 3.35Å; Y256-A260 VanDerWaalsContact O-CB 3.24Å; Y256-A260 WeakPolarHBondContact O-CB 3.26Å; Y256-A260 PolarHBondContact O-N 2.84Å
257	S	67.6	Low	81.8	Confident	55 Å²	55	50 Å²	50	39%	0.385	26%	0.264	S	S	.	.	H	α-helix	trans	-56.9	-41.1	167.7	55.3	0	0	0	0	111	R261	S257-R261 WeakPolarHBondContact O-CB 3.44Å; S257-R261 WeakPolarHBondContact O-CD 3.32Å; S257-R261 WeakPolarHBondContact O-CG 3.37Å; S257-R261 PolarHBondContact O-N 2.93Å
258	D	79.3	Confident	81.7	Confident	101 Å²	101	54.7 Å²	54.7	54%	0.54	29%	0.286	S	S	.	.	H	α-helix	trans	-78.3	-38.1	-175.4	-63.4	-5.5	0	0	0	110.3	Y256 R261 H262	Y256-D258 PolarHBondContact O-N 3.24Å; D258-R261 PolarHBondContact O-N 3.44Å; D258-H262 WeakPolarHBondContact O-CB 3.24Å; D258-H262 PolarHBondContact O-N 2.94Å
259	A	79.8	Confident	81.8	Confident	34 Å²	34	54.5 Å²	54.5	28%	0.281	29%	0.287	S	S	.	.	H	α-helix	trans	-64.2	-39.3	172.2	0	0	0	0	0	113	Y256 H262 E263	Y256-A259 HydrophobicContact CD1-CB 3.83Å; Y256-A259 PolarHBondContact O-N 3.35Å; A259-H262 PolarHBondContact O-N 2.99Å; A259-E263 PolarHBondContact O-N 2.85Å
260	A	81.1	Confident	82	Confident	4 Å²	4	54.6 Å²	54.6	3%	0.033	29%	0.287	C	S	.	.	H	α-helix	trans	-65.5	-48.4	176	0	0	0	0	0	111.1	L250 Y256 H262 E263 V264 F294	L250-A260 HydrophobicContact CD1-CB 3.54Å; Y256-A260 VanDerWaalsContact O-CB 3.24Å; Y256-A260 WeakPolarHBondContact O-CB 3.26Å; Y256-A260 PolarHBondContact O-N 2.84Å; A260-H262 VanDerWaalsContact C-N 3.29Å; A260-H262 PolarHBondContact O-N 2.85Å; A260-E263 PolarHBondContact O-N 3.4Å; A260-V264 WeakPolarHBondContact O-CB 3.45Å; A260-V264 WeakPolarHBondContact O-CG2 3.42Å; A260-V264 PolarHBondContact O-N 3.04Å; A260-F294 HydrophobicContact CB-CB 4.22Å; A260-F294 HydrophobicContact CB-CD1 4.05Å; A260-F294 HydrophobicContact CB-CD2 4.22Å; A260-F294 HydrophobicContact CB-CG 3.89Å
261	R	85.7	Confident	82.3	Confident	164 Å²	164	56 Å²	56	62%	0.619	30%	0.3	S	S	*	.	H	α-helix	trans	-59.7	-39.2	174.3	-73.7	167.7	178.2	177.8	-1.6	112.1	S257 D258 N265	S257-R261 WeakPolarHBondContact O-CB 3.44Å; S257-R261 WeakPolarHBondContact O-CD 3.32Å; S257-R261 WeakPolarHBondContact O-CG 3.37Å; S257-R261 PolarHBondContact O-N 2.93Å; D258-R261 PolarHBondContact O-N 3.44Å; R261-N265 WeakPolarHBondContact O-CB 3.19Å; R261-N265 PolarHBondContact O-N 2.86Å
262	H	89.6	Confident	83.1	Confident	51 Å²	51	62.3 Å²	62.3	24%	0.236	32%	0.323	C	S	.	.	H	α-helix	trans	-64.2	-51.2	177.1	-175.8	72.5	0	0	0	112	D258 A259 A260 V264 N265 V266 A386 D391	D258-H262 WeakPolarHBondContact O-CB 3.24Å; D258-H262 PolarHBondContact O-N 2.94Å; A259-H262 PolarHBondContact O-N 2.99Å; A260-H262 VanDerWaalsContact C-N 3.29Å; A260-H262 PolarHBondContact O-N 2.85Å; H262-V264 VanDerWaalsContact C-N 3.31Å; H262-V264 PolarHBondContact O-N 3.43Å; H262-N265 PolarHBondContact O-N 3.33Å; H262-V266 WeakPolarHBondContact O-CG2 3.5Å; H262-V266 PolarHBondContact O-N 2.97Å; H262-A386 PolarHBondContact NE2-O 2.82Å; H262-D391 IonicContact CE1-OD2 2.72Å
263	E	90.7	Very high	84.3	Confident	8 Å²	8	62.8 Å²	62.8	4%	0.037	32%	0.321	C	S	.	.	H	α-helix	trans	-60.9	-40.5	177.9	-172.1	168.6	-172.3	0	0	111.6	K248 A259 A260 V266 L267 I296	K248-E263 IonicContact NZ-OE1 3.76Å; K248-E263 PolarHBondContact NZ-OE1 3.05Å; K248-E263 IonicContact NZ-OE2 3.21Å; K248-E263 PolarHBondContact NZ-OE2 2.86Å; A259-E263 PolarHBondContact O-N 2.85Å; A260-E263 PolarHBondContact O-N 3.4Å; E263-V266 PolarHBondContact O-N 3.45Å; E263-L267 HydrophobicContact CG-CD1 4.01Å; E263-L267 WeakPolarHBondContact O-CB 3.21Å; E263-L267 VanDerWaalsContact O-CG 3.25Å; E263-L267 WeakPolarHBondContact O-CG 3.38Å; E263-L267 PolarHBondContact O-N 2.65Å; E263-I296 HydrophobicContact CG-CD1 4.12Å
264	V	92	Very high	85.8	Confident	9 Å²	9	58 Å²	58	6%	0.055	30%	0.299	C	S	.	.	H	α-helix	trans	-64.6	-49.3	174.9	171	0	0	0	0	111.8	A260 H262 V266 L267 E268 F287 F294 I296	A260-V264 WeakPolarHBondContact O-CB 3.45Å; A260-V264 WeakPolarHBondContact O-CG2 3.42Å; A260-V264 PolarHBondContact O-N 3.04Å; H262-V264 VanDerWaalsContact C-N 3.31Å; H262-V264 PolarHBondContact O-N 3.43Å; V264-V266 VanDerWaalsContact C-N 3.26Å; V264-V266 PolarHBondContact O-N 3.29Å; V264-L267 PolarHBondContact O-N 2.82Å; V264-E268 HydrophobicContact CG1-CG 4.06Å; V264-E268 WeakPolarHBondContact O-CB 3.26Å; V264-E268 WeakPolarHBondContact O-CG 3.41Å; V264-E268 PolarHBondContact O-N 2.83Å; V264-F287 HydrophobicContact CG1-CD1 4.03Å; V264-F287 HydrophobicContact CG1-CD2 4.18Å; V264-F287 HydrophobicContact CG1-CE1 3.7Å; V264-F287 HydrophobicContact CG1-CE2 3.87Å; V264-F287 HydrophobicContact CG1-CG 4.26Å; V264-F287 HydrophobicContact CG1-CZ 3.61Å; V264-F287 HydrophobicContact CG2-CB 4.43Å; V264-F287 HydrophobicContact CG2-CD1 4.44Å; V264-F287 HydrophobicContact CG2-CD2 4.35Å; V264-F287 HydrophobicContact CG2-CG 4.16Å; V264-F294 HydrophobicContact CG2-CE1 3.6Å; V264-F294 HydrophobicContact CG2-CZ 3.74Å; V264-I296 HydrophobicContact CG2-CD1 4.24Å; V264-I296 HydrophobicContact CG2-CG1 4.48Å
265	N	94.2	Very high	87.1	Confident	76 Å²	76	57.4 Å²	57.4	41%	0.406	30%	0.301	S	S	.	.	H	α-helix	trans	-57.3	-38.9	178	174.6	54	0	0	0	112.2	R261 H262 T269	R261-N265 WeakPolarHBondContact O-CB 3.19Å; R261-N265 PolarHBondContact O-N 2.86Å; H262-N265 PolarHBondContact O-N 3.33Å; N265-T269 WeakPolarHBondContact O-CB 3.48Å; N265-T269 PolarHBondContact O-N 3.36Å; N265-T269 PolarHBondContact O-OG1 3.45Å
266	V	96	Very high	88.6	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66.6	-47.7	173.6	173.8	0	0	0	0	111.3	H262 E263 V264 T269 I270 L341 F383 A386 F388	H262-V266 WeakPolarHBondContact O-CG2 3.5Å; H262-V266 PolarHBondContact O-N 2.97Å; E263-V266 PolarHBondContact O-N 3.45Å; V264-V266 VanDerWaalsContact C-N 3.26Å; V264-V266 PolarHBondContact O-N 3.29Å; V266-T269 PolarHBondContact O-N 3.39Å; V266-I270 HydrophobicContact CG1-CD1 3.8Å; V266-I270 HydrophobicContact CG1-CG1 4.43Å; V266-I270 WeakPolarHBondContact O-CG1 3.42Å; V266-I270 PolarHBondContact O-N 3.42Å; V266-L341 HydrophobicContact CG1-CD1 4.42Å; V266-L341 HydrophobicContact CG1-CD2 3.71Å; V266-L341 HydrophobicContact CG2-CD1 4.45Å; V266-F383 HydrophobicContact CG1-CB 3.77Å; V266-F383 HydrophobicContact CG1-CD1 4.36Å; V266-F383 HydrophobicContact CG1-CG 4.2Å; V266-A386 HydrophobicContact CG1-CB 4.13Å; V266-F388 HydrophobicContact CG2-CE2 3.82Å; V266-F388 HydrophobicContact CG2-CZ 4.23Å
267	L	96.1	Very high	90.1	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.016	31%	0.313	C	S	.	.	H	α-helix	trans	-61.9	-45.3	179	-75.6	167.4	0	0	0	112.6	E263 V264 T269 I270 A271 I296 F298 F383	E263-L267 HydrophobicContact CG-CD1 4.01Å; E263-L267 WeakPolarHBondContact O-CB 3.21Å; E263-L267 VanDerWaalsContact O-CG 3.25Å; E263-L267 WeakPolarHBondContact O-CG 3.38Å; E263-L267 PolarHBondContact O-N 2.65Å; V264-L267 PolarHBondContact O-N 2.82Å; L267-T269 VanDerWaalsContact C-N 3.34Å; L267-I270 PolarHBondContact O-N 3Å; L267-A271 WeakPolarHBondContact O-CB 3.06Å; L267-A271 PolarHBondContact O-N 3.02Å; L267-I296 HydrophobicContact CD1-CD1 4.26Å; L267-I296 HydrophobicContact CD1-CG2 4.11Å; L267-F298 HydrophobicContact CD1-CE1 3.96Å; L267-F298 HydrophobicContact CD1-CZ 3.88Å; L267-F298 HydrophobicContact CD2-CE1 4.08Å; L267-F383 HydrophobicContact CD2-CD2 3.73Å; L267-F383 HydrophobicContact CD2-CE2 4.39Å
268	E	95.3	Very high	91.3	Very high	99 Å²	99	66.7 Å²	66.7	46%	0.463	33%	0.328	S	S	.	.	H	α-helix	trans	-63.4	-40.1	175.2	-70.4	-174.1	126.3	0	0	111.5	V264 A271 R272 F287	V264-E268 HydrophobicContact CG1-CG 4.06Å; V264-E268 WeakPolarHBondContact O-CB 3.26Å; V264-E268 WeakPolarHBondContact O-CG 3.41Å; V264-E268 PolarHBondContact O-N 2.83Å; E268-A271 PolarHBondContact O-N 2.91Å; E268-R272 VanDerWaalsContact O-CB 3.28Å; E268-R272 WeakPolarHBondContact O-CB 3.45Å; E268-R272 PolarHBondContact O-N 3.49Å; E268-F287 HydrophobicContact CG-CE1 4.1Å; E268-F287 WeakPolarHBondContact OE1-CZ 3.29Å
269	T	95.7	Very high	92.2	Very high	17 Å²	17	62 Å²	62	10%	0.104	30%	0.304	C	S	.	.	H	α-helix	trans	-63.4	-44.7	174.9	-69.8	0	0	0	0	111.5	N265 V266 L267 L273 F388	N265-T269 WeakPolarHBondContact O-CB 3.48Å; N265-T269 PolarHBondContact O-N 3.36Å; N265-T269 PolarHBondContact O-OG1 3.45Å; V266-T269 PolarHBondContact O-N 3.39Å; L267-T269 VanDerWaalsContact C-N 3.34Å; T269-L273 HydrophobicContact CG2-CD1 3.6Å; T269-L273 WeakPolarHBondContact O-CB 3.29Å; T269-L273 WeakPolarHBondContact O-CD1 3.4Å; T269-L273 WeakPolarHBondContact O-CG 3.4Å; T269-L273 PolarHBondContact O-N 2.85Å; T269-L273 VanDerWaalsContact O-N 3.1Å; T269-F388 HydrophobicContact CG2-CE1 4.08Å; T269-F388 HydrophobicContact CG2-CZ 3.94Å
270	I	96.7	Very high	93	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-60.1	-51.3	174.4	-72.4	169	0	0	0	110.5	V266 L267 R272 L273 D274 C281 F335 L336 L341 F383	V266-I270 HydrophobicContact CG1-CD1 3.8Å; V266-I270 HydrophobicContact CG1-CG1 4.43Å; V266-I270 WeakPolarHBondContact O-CG1 3.42Å; V266-I270 PolarHBondContact O-N 3.42Å; L267-I270 PolarHBondContact O-N 3Å; I270-R272 VanDerWaalsContact C-N 3.33Å; I270-R272 PolarHBondContact O-N 3.22Å; I270-L273 PolarHBondContact O-N 3.33Å; I270-L273 VanDerWaalsContact O-N 3.09Å; I270-D274 PolarHBondContact O-N 3.16Å; I270-C281 HydrophobicContact CG2-CB 3.68Å; I270-F335 HydrophobicContact CG1-CE1 4.41Å; I270-F335 HydrophobicContact CG2-CE1 4.15Å; I270-L336 HydrophobicContact CD1-CD2 3.79Å; I270-L336 HydrophobicContact CG1-CD2 4.13Å; I270-L341 HydrophobicContact CD1-CD2 4.17Å; I270-L341 HydrophobicContact CG1-CD2 4.22Å; I270-F383 HydrophobicContact CD1-CD1 3.73Å; I270-F383 HydrophobicContact CD1-CD2 3.97Å; I270-F383 HydrophobicContact CD1-CE1 3.66Å; I270-F383 HydrophobicContact CD1-CE2 3.88Å; I270-F383 HydrophobicContact CD1-CG 3.9Å; I270-F383 HydrophobicContact CD1-CZ 3.76Å
271	A	95.3	Very high	93.8	Very high	40 Å²	40	61.9 Å²	61.9	33%	0.331	30%	0.297	S	S	.	.	H	α-helix	trans	-61.2	-38.7	-178.1	0	0	0	0	0	112.7	L267 E268 D274	L267-A271 WeakPolarHBondContact O-CB 3.06Å; L267-A271 PolarHBondContact O-N 3.02Å; E268-A271 PolarHBondContact O-N 2.91Å; A271-D274 CarbonylContact O-C 3.14Å
272	R	95.7	Very high	94.4	Very high	182 Å²	182	54.7 Å²	54.7	69%	0.687	27%	0.27	S	S	*	.	H	α-helix	trans	-65.1	-38.1	174.1	178.6	179.7	60	156.2	-5.9	112.6	E268 I270	E268-R272 VanDerWaalsContact O-CB 3.28Å; E268-R272 WeakPolarHBondContact O-CB 3.45Å; E268-R272 PolarHBondContact O-N 3.49Å; I270-R272 VanDerWaalsContact C-N 3.33Å; I270-R272 PolarHBondContact O-N 3.22Å
273	L	95.7	Very high	94.6	Very high	78 Å²	78	53.8 Å²	53.8	41%	0.408	27%	0.27	S	S	.	.	H	α-helix	trans	-83.7	-25.8	-176.9	-68.7	167.1	0	0	0	112.8	T269 I270 F335 N339	T269-L273 HydrophobicContact CG2-CD1 3.6Å; T269-L273 WeakPolarHBondContact O-CB 3.29Å; T269-L273 WeakPolarHBondContact O-CD1 3.4Å; T269-L273 WeakPolarHBondContact O-CG 3.4Å; T269-L273 PolarHBondContact O-N 2.85Å; T269-L273 VanDerWaalsContact O-N 3.1Å; I270-L273 PolarHBondContact O-N 3.33Å; I270-L273 VanDerWaalsContact O-N 3.09Å; L273-F335 HydrophobicContact CB-CE2 4.12Å; L273-F335 HydrophobicContact CB-CZ 3.74Å; L273-N339 HydrophobicContact CD1-CB 3.96Å
274	D	95.2	Very high	94.8	Very high	17 Å²	17	54.9 Å²	54.9	9%	0.091	28%	0.278	C	S	.	.			trans	-110.4	56.5	176.3	-171.5	24.7	0	0	0	112.6	I270 A271 K276 D277 R278 S279 F335	I270-D274 PolarHBondContact O-N 3.16Å; A271-D274 CarbonylContact O-C 3.14Å; D274-K276 PolarHBondContact O-N 2.82Å; D274-D277 PolarHBondContact O-N 3.39Å; D274-D277 PolarHBondContact OD1-N 2.96Å; D274-D277 VanDerWaalsContact OD2-C 3.26Å; D274-D277 VanDerWaalsContact OD2-CA 3.26Å; D274-D277 WeakPolarHBondContact OD2-CA 3.25Å; D274-R278 VanDerWaalsContact CG-N 3.29Å; D274-R278 PolarHBondContact OD1-N 3.44Å; D274-R278 PolarHBondContact OD2-N 2.81Å; D274-S279 WeakPolarHBondContact OD2-CB 3.31Å; D274-S279 PolarHBondContact OD2-N 3.16Å; D274-S279 PolarHBondContact OD2-OG 3.18Å; D274-F335 HydrophobicContact CB-CE1 4.49Å; D274-F335 HydrophobicContact CB-CE2 3.94Å; D274-F335 HydrophobicContact CB-CZ 3.73Å
275	A	88.9	Confident	95	Very high	93 Å²	93	58.8 Å²	58.8	77%	0.769	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	4.5	177.7	0	0	0	0	0	115.4
276	K	90.9	Very high	95	Very high	156 Å²	156	57 Å²	57	68%	0.678	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	2.6	177.3	-62.5	-176.5	-178	175.9	0	113.6	D274 R278	D274-K276 PolarHBondContact O-N 2.82Å; K276-R278 VanDerWaalsContact C-N 3.3Å; K276-R278 HydrophobicContact CB-CG 3.9Å; K276-R278 WeakPolarHBondContact O-CG 3.27Å; K276-R278 PolarHBondContact O-N 2.98Å
277	D	91.1	Very high	94.9	Very high	81 Å²	81	60.6 Å²	60.6	43%	0.433	30%	0.304	S	S	.	.	S	Bend	trans	53	39.1	-176.5	-164.5	49.5	0	0	0	114.2	D274 K379	D274-D277 PolarHBondContact O-N 3.39Å; D274-D277 PolarHBondContact OD1-N 2.96Å; D274-D277 VanDerWaalsContact OD2-C 3.26Å; D274-D277 VanDerWaalsContact OD2-CA 3.26Å; D274-D277 WeakPolarHBondContact OD2-CA 3.25Å; D277-K379 IonicContact OD1-NZ 3.64Å; D277-K379 PolarHBondContact OD1-NZ 2.96Å; D277-K379 IonicContact OD2-NZ 3.08Å; D277-K379 PolarHBondContact OD2-NZ 3.41Å
278	R	93.6	Very high	94.7	Very high	185 Å²	185	61 Å²	61	70%	0.698	31%	0.306	S	S	*	.			trans	-104	-4	-176	-62.5	-174	-177.5	-165.9	-4.2	114.6	D274 K276 H280	D274-R278 VanDerWaalsContact CG-N 3.29Å; D274-R278 PolarHBondContact OD1-N 3.44Å; D274-R278 PolarHBondContact OD2-N 2.81Å; K276-R278 VanDerWaalsContact C-N 3.3Å; K276-R278 HydrophobicContact CB-CG 3.9Å; K276-R278 WeakPolarHBondContact O-CG 3.27Å; K276-R278 PolarHBondContact O-N 2.98Å; R278-H280 VanDerWaalsContact C-N 3.26Å; R278-H280 PolarHBondContact O-N 2.88Å
279	S	96.3	Very high	94.5	Very high	4 Å²	4	63.3 Å²	63.3	3%	0.028	32%	0.317	C	S	.	.	S	Bend	trans	-75.6	-13.3	177.7	63.8	0	0	0	0	113.3	D274 C281 A332	D274-S279 WeakPolarHBondContact OD2-CB 3.31Å; D274-S279 PolarHBondContact OD2-N 3.16Å; D274-S279 PolarHBondContact OD2-OG 3.18Å; S279-C281 PolarHBondContact O-N 3.47Å; S279-C281 VanDerWaalsContact O-N 3.09Å; S279-C281 WeakPolarHBondContact OG-CB 3.43Å; S279-C281 PolarHBondContact OG-N 3Å; S279-C281 VanDerWaalsContact OG-N 3.08Å; S279-A332 WeakPolarHBondContact O-CA 3.44Å; S279-A332 WeakPolarHBondContact O-CB 3.28Å
280	H	97.9	Very high	94.2	Very high	35 Å²	35	66 Å²	66	16%	0.162	33%	0.325	C	S	.	.			trans	57.6	9.1	-164.4	-42.1	-72	0	0	0	114.7	R278 Q328 E331 A332 I378 K379 L380	R278-H280 VanDerWaalsContact C-N 3.26Å; R278-H280 PolarHBondContact O-N 2.88Å; H280-Q328 PolarHBondContact CD2-O 2.86Å; H280-E331 IonicContact CD2-OE2 3.69Å; H280-E331 IonicContact CE1-OE2 3.14Å; H280-E331 IonicContact NE2-OE2 2.71Å; H280-E331 PolarHBondContact NE2-OE2 3.08Å; H280-A332 HydrophobicContact CB-CB 4.33Å; H280-I378 HydrophobicContact CB-CD1 4.28Å; H280-K379 CarbonylContact O-C 3.59Å; H280-K379 WeakPolarHBondContact O-CA 3.49Å; H280-K379 WeakPolarHBondContact O-CD 3.48Å; H280-L380 PolarHBondContact O-N 2.97Å
281	C	98.1	Very high	93.8	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-72.1	149.1	165.6	-60.6	0	0	0	0	109.7	I270 S279 K379 F383	I270-C281 HydrophobicContact CG2-CB 3.68Å; S279-C281 PolarHBondContact O-N 3.47Å; S279-C281 VanDerWaalsContact O-N 3.09Å; S279-C281 WeakPolarHBondContact OG-CB 3.43Å; S279-C281 PolarHBondContact OG-N 3Å; S279-C281 VanDerWaalsContact OG-N 3.08Å; C281-K379 PolarHBondContact O-NZ 3.26Å; C281-F383 HydrophobicContact CB-CE2 4.07Å; C281-F383 HydrophobicContact CB-CZ 3.67Å
282	I	97.2	Very high	93.3	Very high	12 Å²	12	79 Å²	79	6%	0.062	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-74.3	131.6	172.3	-162.9	172.6	0	0	0	110.6	F298 L301 L380 I381 F383	I282-F298 HydrophobicContact CD1-CB 3.86Å; I282-F298 HydrophobicContact CD1-CD1 3.69Å; I282-F298 HydrophobicContact CD1-CE1 4.47Å; I282-F298 HydrophobicContact CD1-CG 3.96Å; I282-F298 HydrophobicContact CG1-CD1 3.91Å; I282-F298 HydrophobicContact CG2-CD1 4.27Å; I282-F298 HydrophobicContact CG2-CE1 4.1Å; I282-L301 HydrophobicContact CD1-CD1 3.73Å; I282-L301 HydrophobicContact CD1-CG 4.46Å; I282-L301 HydrophobicContact CG1-CD1 4.41Å; I282-L380 PolarHBondContact N-O 2.88Å; I282-I381 HydrophobicContact CB-CG2 4.03Å; I282-I381 HydrophobicContact CD1-CG2 3.93Å; I282-I381 HydrophobicContact CG2-CB 4.1Å; I282-I381 HydrophobicContact CG2-CG2 3.93Å; I282-F383 HydrophobicContact CG2-CD2 4.44Å; I282-F383 HydrophobicContact CG2-CE2 4.04Å
283	S	94.8	Very high	92.9	Very high	33 Å²	33	71.9 Å²	71.9	23%	0.231	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-96.5	135.2	170.3	-64.8	0	0	0	0	109.8	P299	S283-P299 VanDerWaalsContact O-CD 3.29Å; S283-P299 WeakPolarHBondContact O-CD 3.4Å
284	S	95	Very high	92.6	Very high	30 Å²	30	69.8 Å²	69.8	21%	0.21	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-73.3	148.8	170.3	47.4	0	0	0	0	111.5	V297	S284-V297 CarbonylContact C-O 3.33Å; S284-V297 WeakPolarHBondContact CA-O 3.24Å
285	I	94.9	Very high	92.5	Very high	91 Å²	91	69 Å²	69	47%	0.467	34%	0.337	S	S	.	.	S	Bend	trans	-88.3	-42.1	174.9	-61.5	177	0	0	0	110.8	T245 V297 P299	T245-I285 HydrophobicContact CG2-CD1 4.25Å; I285-V297 HydrophobicContact CB-CB 4.37Å; I285-V297 HydrophobicContact CB-CG1 4.14Å; I285-V297 HydrophobicContact CD1-CG1 4.43Å; I285-V297 PolarHBondContact N-O 3.47Å; I285-P299 HydrophobicContact CD1-CG 4.14Å; I285-P299 HydrophobicContact CG1-CG 4.18Å
286	D	94.2	Very high	92.8	Very high	40 Å²	40	64.6 Å²	64.6	21%	0.214	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	156.6	-170.5	-168.1	-7.3	0	0	0	108	R218 V297	R218-D286 IonicContact CZ-OD2 3.84Å; R218-D286 IonicContact NH1-OD2 2.78Å; R218-D286 PolarHBondContact NH1-OD2 3.3Å; D286-V297 HydrophobicContact CB-CB 4.03Å; D286-V297 HydrophobicContact CB-CG2 4.01Å; D286-V297 WeakPolarHBondContact O-CB 3.3Å; D286-V297 PolarHBondContact O-N 3.26Å
287	F	93.7	Very high	93.1	Very high	74 Å²	74	57.2 Å²	57.2	33%	0.325	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	144.4	169.5	57.7	-99.9	0	0	0	110.1	V264 E268 F294 Y295 I296	V264-F287 HydrophobicContact CG1-CD1 4.03Å; V264-F287 HydrophobicContact CG1-CD2 4.18Å; V264-F287 HydrophobicContact CG1-CE1 3.7Å; V264-F287 HydrophobicContact CG1-CE2 3.87Å; V264-F287 HydrophobicContact CG1-CG 4.26Å; V264-F287 HydrophobicContact CG1-CZ 3.61Å; V264-F287 HydrophobicContact CG2-CB 4.43Å; V264-F287 HydrophobicContact CG2-CD1 4.44Å; V264-F287 HydrophobicContact CG2-CD2 4.35Å; V264-F287 HydrophobicContact CG2-CG 4.16Å; E268-F287 HydrophobicContact CG-CE1 4.1Å; E268-F287 WeakPolarHBondContact OE1-CZ 3.29Å; F287-F294 HydrophobicContact CB-CE1 4.02Å; F287-F294 HydrophobicContact CB-CZ 4.19Å; F287-F294 AromaticContact CD2-CZ 3.85Å; F287-F294 HydrophobicContact CD2-CZ 3.85Å; F287-F294 HydrophobicContact CG-CZ 4.37Å; F287-Y295 CarbonylContact C-O 3.46Å; F287-Y295 WeakPolarHBondContact CA-O 3.39Å; F287-Y295 WeakPolarHBondContact CB-O 3.37Å; F287-I296 HydrophobicContact CB-CG1 4.39Å; F287-I296 HydrophobicContact CB-CG2 4.47Å
288	F	93.1	Very high	93.4	Very high	13 Å²	13	54.2 Å²	54.2	6%	0.057	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	157.7	-175.2	56.4	-94.8	0	0	0	113.3	I215 K216 F219 W290 Y295 V297	I215-F288 HydrophobicContact CG2-CE2 3.72Å; I215-F288 HydrophobicContact CG2-CZ 3.86Å; K216-F288 HydrophobicContact CB-CD2 4.5Å; K216-F288 HydrophobicContact CB-CE2 3.96Å; K216-F288 HydrophobicContact CB-CZ 4.28Å; K216-F288 HydrophobicContact CD-CB 4.26Å; K216-F288 HydrophobicContact CD-CD1 3.98Å; K216-F288 HydrophobicContact CD-CD2 3.47Å; K216-F288 VanDerWaalsContact CD-CD2 3.47Å; K216-F288 HydrophobicContact CD-CE1 4.19Å; K216-F288 HydrophobicContact CD-CE2 3.7Å; K216-F288 HydrophobicContact CD-CG 3.62Å; K216-F288 HydrophobicContact CD-CZ 4.06Å; K216-F288 HydrophobicContact CG-CE2 4.46Å; K216-F288 VanDerWaalsContact NZ-CB 3.28Å; F219-F288 HydrophobicContact CD2-CE1 4.12Å; F219-F288 AromaticContact CD2-CZ 3.88Å; F219-F288 HydrophobicContact CD2-CZ 3.88Å; F219-F288 AromaticContact CE2-CE1 3.49Å; F219-F288 HydrophobicContact CE2-CE1 3.49Å; F219-F288 VanDerWaalsContact CE2-CE1 3.49Å; F219-F288 AromaticContact CE2-CZ 3.74Å; F219-F288 HydrophobicContact CE2-CZ 3.74Å; F219-F288 HydrophobicContact CZ-CE1 4.28Å; F288-W290 HydrophobicContact CD2-CB 4.03Å; F288-W290 HydrophobicContact CE2-CB 4.08Å; F288-Y295 AromaticContact CD2-CD2 3.95Å; F288-Y295 HydrophobicContact CD2-CD2 3.95Å; F288-Y295 HydrophobicContact CD2-CG 4.27Å; F288-Y295 AromaticContact CE2-CD2 3.58Å; F288-Y295 HydrophobicContact CE2-CD2 3.58Å; F288-Y295 HydrophobicContact CE2-CE2 4.42Å; F288-Y295 AromaticContact CE2-CG 3.65Å; F288-Y295 HydrophobicContact CE2-CG 3.65Å; F288-Y295 HydrophobicContact CZ-CD2 4.43Å; F288-Y295 HydrophobicContact CZ-CG 4.06Å; F288-Y295 PolarHBondContact N-O 3.23Å; F288-Y295 PolarHBondContact O-N 3.39Å; F288-V297 HydrophobicContact CD1-CG2 4.49Å; F288-V297 HydrophobicContact CE1-CG2 3.71Å
289	E	90.3	Very high	93.5	Very high	147 Å²	147	48 Å²	48	69%	0.687	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	140.1	167	-68.8	174.7	-167.7	0	0	110.8	H293 F294	E289-H293 WeakPolarHBondContact CA-O 3.44Å; E289-F294 HydrophobicContact CG-CD2 3.44Å; E289-F294 VanDerWaalsContact CG-CD2 3.44Å; E289-F294 HydrophobicContact CG-CE2 3.93Å; E289-F294 HydrophobicContact CG-CG 4.39Å
290	W	90.4	Very high	93.6	Very high	72 Å²	72	50.3 Å²	50.3	27%	0.273	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	125.9	174.5	-175	73	0	0	0	110.7	I215 K216 F288 E292 H293 Y295	I215-W290 HydrophobicContact CB-CE3 4.33Å; I215-W290 HydrophobicContact CB-CZ3 4.19Å; I215-W290 HydrophobicContact CG1-CZ3 4.18Å; I215-W290 HydrophobicContact CG2-CD2 4.16Å; I215-W290 HydrophobicContact CG2-CE3 3.7Å; I215-W290 HydrophobicContact CG2-CZ3 4.07Å; K216-W290 HydrophobicContact CB-CG 4.28Å; K216-W290 VanDerWaalsContact N-CE2 3.29Å; F288-W290 HydrophobicContact CD2-CB 4.03Å; F288-W290 HydrophobicContact CE2-CB 4.08Å; W290-E292 PolarHBondContact O-N 3.5Å; W290-H293 PolarHBondContact N-O 3.26Å; W290-H293 PolarHBondContact O-N 3.29Å; W290-H293 VanDerWaalsContact O-N 3.17Å; W290-Y295 HydrophobicContact CB-CD2 4.11Å; W290-Y295 HydrophobicContact CB-CE2 3.81Å; W290-Y295 HydrophobicContact CE3-CE2 4.1Å; W290-Y295 AromaticContact CE3-CZ 4Å; W290-Y295 WeakPolarHBondContact O-CE2 3.35Å
291	H	88.7	Confident	93.6	Very high	136 Å²	136	50.2 Å²	50.2	63%	0.63	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	43.4	61.6	-176.3	-65	-55	0	0	0	113.9	H293	H291-H293 PolarHBondContact O-CD2 3.14Å; H291-H293 PolarHBondContact O-N 2.66Å
292	E	83.6	Confident	93.6	Very high	179 Å²	179	51 Å²	51	84%	0.836	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	-1	176.9	-49.1	-175.9	152.6	0	0	116.1	W290	W290-E292 PolarHBondContact O-N 3.5Å
293	H	87.2	Confident	93.5	Very high	34 Å²	34	52.1 Å²	52.1	16%	0.157	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	140.7	176.3	-69.3	-84.3	0	0	0	111.3	I208 L250 P252 E289 W290 H291 Y295	I208-H293 WeakPolarHBondContact CG2-CE1 3.43Å; I208-H293 WeakPolarHBondContact CG2-ND1 3.41Å; L250-H293 PolarHBondContact O-ND1 2.93Å; P252-H293 WeakPolarHBondContact CD-CE1 3.25Å; P252-H293 WeakPolarHBondContact CG-CE1 3.41Å; E289-H293 WeakPolarHBondContact CA-O 3.44Å; W290-H293 PolarHBondContact N-O 3.26Å; W290-H293 PolarHBondContact O-N 3.29Å; W290-H293 VanDerWaalsContact O-N 3.17Å; H291-H293 PolarHBondContact O-CD2 3.14Å; H291-H293 PolarHBondContact O-N 2.66Å; H293-Y295 HydrophobicContact CB-CD2 4.29Å; H293-Y295 HydrophobicContact CB-CE2 3.44Å; H293-Y295 VanDerWaalsContact CB-CE2 3.44Å; H293-Y295 WeakPolarHBondContact O-CD2 3.38Å; H293-Y295 WeakPolarHBondContact O-CE2 3.16Å
294	F	89.4	Confident	93.7	Very high	33 Å²	33	51.1 Å²	51.1	15%	0.145	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	132.8	169.4	-162.4	-81.4	0	0	0	109.7	L250 A260 V264 F287 E289 I296	L250-F294 HydrophobicContact CB-CB 4.4Å; L250-F294 HydrophobicContact CD1-CB 4.28Å; L250-F294 HydrophobicContact CD1-CD1 4.22Å; L250-F294 PolarHBondContact N-O 3.23Å; A260-F294 HydrophobicContact CB-CB 4.22Å; A260-F294 HydrophobicContact CB-CD1 4.05Å; A260-F294 HydrophobicContact CB-CD2 4.22Å; A260-F294 HydrophobicContact CB-CG 3.89Å; V264-F294 HydrophobicContact CG2-CE1 3.6Å; V264-F294 HydrophobicContact CG2-CZ 3.74Å; F287-F294 HydrophobicContact CB-CE1 4.02Å; F287-F294 HydrophobicContact CB-CZ 4.19Å; F287-F294 AromaticContact CD2-CZ 3.85Å; F287-F294 HydrophobicContact CD2-CZ 3.85Å; F287-F294 HydrophobicContact CG-CZ 4.37Å; E289-F294 HydrophobicContact CG-CD2 3.44Å; E289-F294 VanDerWaalsContact CG-CD2 3.44Å; E289-F294 HydrophobicContact CG-CE2 3.93Å; E289-F294 HydrophobicContact CG-CG 4.39Å; F294-I296 HydrophobicContact CD1-CG1 4.08Å; F294-I296 HydrophobicContact CE1-CD1 4.48Å; F294-I296 HydrophobicContact CE1-CG1 3.86Å
295	Y	93.6	Very high	93.9	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.008	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	136.9	-177.9	-62.2	-96.4	0	0	0	110.7	V209 I215 V247 K248 A249 F287 F288 W290 H293	V209-Y295 HydrophobicContact CG2-CE1 4.17Å; I215-Y295 HydrophobicContact CD1-CD1 4.18Å; I215-Y295 HydrophobicContact CD1-CE1 3.77Å; I215-Y295 HydrophobicContact CG1-CE1 4.28Å; I215-Y295 HydrophobicContact CG2-CD1 4.07Å; I215-Y295 HydrophobicContact CG2-CD2 4.48Å; I215-Y295 HydrophobicContact CG2-CE1 3.88Å; I215-Y295 HydrophobicContact CG2-CE2 4.33Å; I215-Y295 HydrophobicContact CG2-CG 4.37Å; V247-Y295 HydrophobicContact CG1-CD1 3.77Å; K248-Y295 CarbonylContact O-C 3.58Å; K248-Y295 VanDerWaalsContact O-CA 3.3Å; K248-Y295 WeakPolarHBondContact O-CA 3.24Å; A249-Y295 HydrophobicContact CB-CD1 3.59Å; A249-Y295 HydrophobicContact CB-CE1 3.38Å; F287-Y295 CarbonylContact C-O 3.46Å; F287-Y295 WeakPolarHBondContact CA-O 3.39Å; F287-Y295 WeakPolarHBondContact CB-O 3.37Å; F288-Y295 AromaticContact CD2-CD2 3.95Å; F288-Y295 HydrophobicContact CD2-CD2 3.95Å; F288-Y295 HydrophobicContact CD2-CG 4.27Å; F288-Y295 AromaticContact CE2-CD2 3.58Å; F288-Y295 HydrophobicContact CE2-CD2 3.58Å; F288-Y295 HydrophobicContact CE2-CE2 4.42Å; F288-Y295 AromaticContact CE2-CG 3.65Å; F288-Y295 HydrophobicContact CE2-CG 3.65Å; F288-Y295 HydrophobicContact CZ-CD2 4.43Å; F288-Y295 HydrophobicContact CZ-CG 4.06Å; F288-Y295 PolarHBondContact N-O 3.23Å; F288-Y295 PolarHBondContact O-N 3.39Å; W290-Y295 HydrophobicContact CB-CD2 4.11Å; W290-Y295 HydrophobicContact CB-CE2 3.81Å; W290-Y295 HydrophobicContact CE3-CE2 4.1Å; W290-Y295 AromaticContact CE3-CZ 4Å; W290-Y295 WeakPolarHBondContact O-CE2 3.35Å; H293-Y295 HydrophobicContact CB-CD2 4.29Å; H293-Y295 HydrophobicContact CB-CE2 3.44Å; H293-Y295 VanDerWaalsContact CB-CE2 3.44Å; H293-Y295 WeakPolarHBondContact O-CD2 3.38Å; H293-Y295 WeakPolarHBondContact O-CE2 3.16Å
296	I	94.8	Very high	94	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.2	169.4	-49.1	173.1	0	0	0	108	V247 K248 E263 V264 L267 F287 F294 F298	V247-I296 WeakPolarHBondContact CA-O 3.21Å; K248-I296 HydrophobicContact CB-CB 4.48Å; K248-I296 PolarHBondContact N-O 3.46Å; K248-I296 PolarHBondContact O-N 3.04Å; E263-I296 HydrophobicContact CG-CD1 4.12Å; V264-I296 HydrophobicContact CG2-CD1 4.24Å; V264-I296 HydrophobicContact CG2-CG1 4.48Å; L267-I296 HydrophobicContact CD1-CD1 4.26Å; L267-I296 HydrophobicContact CD1-CG2 4.11Å; F287-I296 HydrophobicContact CB-CG1 4.39Å; F287-I296 HydrophobicContact CB-CG2 4.47Å; F294-I296 HydrophobicContact CD1-CG1 4.08Å; F294-I296 HydrophobicContact CE1-CD1 4.48Å; F294-I296 HydrophobicContact CE1-CG1 3.86Å; I296-F298 HydrophobicContact CB-CE2 3.78Å; I296-F298 HydrophobicContact CB-CZ 4.06Å; I296-F298 HydrophobicContact CG2-CD2 4.2Å; I296-F298 HydrophobicContact CG2-CE1 3.94Å; I296-F298 HydrophobicContact CG2-CE2 3.49Å; I296-F298 VanDerWaalsContact CG2-CE2 3.49Å; I296-F298 HydrophobicContact CG2-CZ 3.35Å
297	V	96.9	Very high	94.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	134.3	-179.8	-172.2	0	0	0	0	109	F219 T245 V247 S284 I285 D286 F288	F219-V297 HydrophobicContact CE1-CG1 3.83Å; F219-V297 HydrophobicContact CE1-CG2 4.14Å; F219-V297 HydrophobicContact CE2-CG2 4.1Å; F219-V297 HydrophobicContact CZ-CG1 4.11Å; F219-V297 HydrophobicContact CZ-CG2 3.7Å; T245-V297 HydrophobicContact CG2-CG1 4.29Å; V247-V297 HydrophobicContact CG2-CG1 4.34Å; V247-V297 HydrophobicContact CG2-CG2 4.34Å; S284-V297 CarbonylContact C-O 3.33Å; S284-V297 WeakPolarHBondContact CA-O 3.24Å; I285-V297 HydrophobicContact CB-CB 4.37Å; I285-V297 HydrophobicContact CB-CG1 4.14Å; I285-V297 HydrophobicContact CD1-CG1 4.43Å; I285-V297 PolarHBondContact N-O 3.47Å; D286-V297 HydrophobicContact CB-CB 4.03Å; D286-V297 HydrophobicContact CB-CG2 4.01Å; D286-V297 WeakPolarHBondContact O-CB 3.3Å; D286-V297 PolarHBondContact O-N 3.26Å; F288-V297 HydrophobicContact CD1-CG2 4.49Å; F288-V297 HydrophobicContact CE1-CG2 3.71Å
298	F	97.5	Very high	94.3	Very high	18 Å²	18	43.4 Å²	43.4	8%	0.079	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	159.2	-179.2	-63.3	-78.4	0	0	0	110.6	A246 K248 L267 I282 I296	A246-F298 HydrophobicContact CB-CB 4.31Å; A246-F298 PolarHBondContact N-O 3.01Å; A246-F298 PolarHBondContact O-N 2.9Å; K248-F298 HydrophobicContact CB-CE2 4.02Å; K248-F298 HydrophobicContact CD-CE2 4.36Å; L267-F298 HydrophobicContact CD1-CE1 3.96Å; L267-F298 HydrophobicContact CD1-CZ 3.88Å; L267-F298 HydrophobicContact CD2-CE1 4.08Å; I282-F298 HydrophobicContact CD1-CB 3.86Å; I282-F298 HydrophobicContact CD1-CD1 3.69Å; I282-F298 HydrophobicContact CD1-CE1 4.47Å; I282-F298 HydrophobicContact CD1-CG 3.96Å; I282-F298 HydrophobicContact CG1-CD1 3.91Å; I282-F298 HydrophobicContact CG2-CD1 4.27Å; I282-F298 HydrophobicContact CG2-CE1 4.1Å; I296-F298 HydrophobicContact CB-CE2 3.78Å; I296-F298 HydrophobicContact CB-CZ 4.06Å; I296-F298 HydrophobicContact CG2-CD2 4.2Å; I296-F298 HydrophobicContact CG2-CE1 3.94Å; I296-F298 HydrophobicContact CG2-CE2 3.49Å; I296-F298 VanDerWaalsContact CG2-CE2 3.49Å; I296-F298 HydrophobicContact CG2-CZ 3.35Å
299	P	96.9	Very high	94.4	Very high	54 Å²	54	42.9 Å²	42.9	35%	0.351	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	140.3	164	-20.1	33.2	0	0	0	109.9	S283 I285 L301	S283-P299 VanDerWaalsContact O-CD 3.29Å; S283-P299 WeakPolarHBondContact O-CD 3.4Å; I285-P299 HydrophobicContact CD1-CG 4.14Å; I285-P299 HydrophobicContact CG1-CG 4.18Å; P299-L301 PolarHBondContact O-N 3.34Å
300	L	97.7	Very high	94.7	Very high	53 Å²	53	38.4 Å²	38.4	28%	0.277	19%	0.194	S	C	.	.			trans	-71.8	125	170	-176.2	67.1	0	0	0	108.9	L225 E235 L244 A246	L225-L300 HydrophobicContact CD1-CD1 3.74Å; E235-L300 HydrophobicContact CG-CD1 4.24Å; E235-L300 HydrophobicContact CG-CD2 4.01Å; E235-L300 WeakPolarHBondContact OE2-CD2 3.4Å; L244-L300 HydrophobicContact CB-CB 4.49Å; L244-L300 HydrophobicContact CB-CD2 3.69Å; L244-L300 HydrophobicContact CD1-CD2 4.04Å; L244-L300 HydrophobicContact CG-CD2 4.48Å; A246-L300 HydrophobicContact CB-CD1 4.23Å
301	L	97.6	Very high	95	Very high	33 Å²	33	40.9 Å²	40.9	17%	0.173	21%	0.207	C	C	.	.			trans	-108	173.8	178.1	-60.7	178.6	0	0	0	111.1	I282 P299 L352 K379 I381	I282-L301 HydrophobicContact CD1-CD1 3.73Å; I282-L301 HydrophobicContact CD1-CG 4.46Å; I282-L301 HydrophobicContact CG1-CD1 4.41Å; P299-L301 PolarHBondContact O-N 3.34Å; L301-L352 HydrophobicContact CB-CB 4.15Å; L301-L352 HydrophobicContact CB-CD2 3.98Å; L301-L352 HydrophobicContact CD1-CB 3.94Å; L301-L352 HydrophobicContact CD1-CD2 4.19Å; L301-K379 HydrophobicContact CD1-CB 3.79Å; L301-K379 HydrophobicContact CD1-CG 4.24Å; L301-K379 HydrophobicContact CD2-CG 4.34Å; L301-I381 HydrophobicContact CD1-CG2 4.24Å
302	G	97.5	Very high	95.3	Very high	18 Å²	18	34.8 Å²	34.8	19%	0.186	18%	0.178	C	C	.	.			trans	-69.1	-171.8	170.8	0	0	0	0	0	114	F353	G302-F353 VanDerWaalsContact CA-O 3.32Å; G302-F353 WeakPolarHBondContact CA-O 3.19Å; G302-F353 PolarHBondContact N-O 3.45Å
303	P	97.1	Very high	95.8	Very high	34 Å²	34	32.1 Å²	32.1	22%	0.221	17%	0.17	C	C	.	.			trans	-64.8	157	175.7	30.1	-34.3	0	0	0	111.3	T307 F308 F353	P303-T307 HydrophobicContact CB-CG2 4.1Å; P303-F308 HydrophobicContact CG-CB 4.25Å; P303-F308 HydrophobicContact CG-CD2 4.15Å; P303-F353 HydrophobicContact CG-CD2 4.48Å; P303-F353 PolarHBondContact O-N 2.89Å; P303-F353 VanDerWaalsContact O-N 3.07Å
304	S	98	Very high	96.2	Very high	12 Å²	12	34.1 Å²	34.1	8%	0.084	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-64.5	154.9	166.9	68.3	0	0	0	0	111.3	F306 T307 F308 E349 I351	S304-F306 PolarHBondContact O-N 2.99Å; S304-T307 PolarHBondContact O-N 3.23Å; S304-T307 WeakPolarHBondContact OG-CB 3.2Å; S304-T307 PolarHBondContact OG-N 2.98Å; S304-T307 PolarHBondContact OG-OG1 3.36Å; S304-F308 PolarHBondContact O-N 3.49Å; S304-E349 VanDerWaalsContact CB-O 3.31Å; S304-E349 WeakPolarHBondContact CB-O 3.38Å; S304-I351 CarbonylContact C-O 3.59Å; S304-I351 VanDerWaalsContact CA-O 3.23Å; S304-I351 WeakPolarHBondContact CA-O 3.48Å
305	V	98.4	Very high	96.4	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	17%	0.17	C	C	.	.	H	α-helix	trans	-57.4	-35.1	174.5	175.2	0	0	0	0	110.4	L309 Y317 P348 I351 F353 I378 L429	V305-L309 VanDerWaalsContact O-CB 3.3Å; V305-L309 WeakPolarHBondContact O-CB 3.36Å; V305-L309 PolarHBondContact O-N 3.03Å; V305-L309 VanDerWaalsContact O-N 3.16Å; V305-Y317 HydrophobicContact CG1-CE2 3.79Å; V305-Y317 PolarHBondContact O-OH 2.86Å; V305-P348 HydrophobicContact CB-CB 4.45Å; V305-P348 HydrophobicContact CG1-CB 4.41Å; V305-P348 PolarHBondContact N-O 2.87Å; V305-I351 HydrophobicContact CB-CB 4.43Å; V305-I351 HydrophobicContact CG2-CB 3.98Å; V305-I351 HydrophobicContact CG2-CG2 3.63Å; V305-I351 WeakPolarHBondContact CG2-O 3.4Å; V305-I351 PolarHBondContact N-O 2.87Å; V305-F353 HydrophobicContact CB-CE2 4.43Å; V305-F353 HydrophobicContact CG2-CD2 4.42Å; V305-F353 HydrophobicContact CG2-CE1 4.3Å; V305-F353 HydrophobicContact CG2-CE2 3.9Å; V305-F353 HydrophobicContact CG2-CZ 3.83Å; V305-I378 HydrophobicContact CG2-CG2 4.4Å; V305-L429 HydrophobicContact CG1-CD2 3.35Å
306	F	97.4	Very high	96.5	Very high	25 Å²	25	33.6 Å²	33.6	11%	0.11	18%	0.177	C	C	.	.	H	α-helix	trans	-61.7	-55	168.3	-176	-94.1	0	0	0	112.7	S304 F308 L309 E310 P348 E349	S304-F306 PolarHBondContact O-N 2.99Å; F306-F308 VanDerWaalsContact C-N 3.28Å; F306-F308 PolarHBondContact O-N 2.83Å; F306-L309 WeakPolarHBondContact O-CB 3.44Å; F306-L309 PolarHBondContact O-N 3.27Å; F306-L309 VanDerWaalsContact O-N 3.13Å; F306-E310 HydrophobicContact CE1-CB 4.3Å; F306-E310 PolarHBondContact O-N 3.48Å; F306-P348 HydrophobicContact CB-CB 3.99Å; F306-P348 PolarHBondContact N-O 2.87Å; F306-E349 HydrophobicContact CB-CB 4.43Å; F306-E349 HydrophobicContact CB-CG 3.82Å; F306-E349 HydrophobicContact CD1-CG 4.11Å; F306-E349 HydrophobicContact CD2-CG 4.36Å; F306-E349 HydrophobicContact CG-CG 3.82Å
307	T	96.9	Very high	96.6	Very high	39 Å²	39	34.3 Å²	34.3	24%	0.239	18%	0.179	C	C	.	.	H	α-helix	trans	-64.5	-32.5	-175.2	-67.9	0	0	0	0	112.3	P303 S304 K311	P303-T307 HydrophobicContact CB-CG2 4.1Å; S304-T307 PolarHBondContact O-N 3.23Å; S304-T307 WeakPolarHBondContact OG-CB 3.2Å; S304-T307 PolarHBondContact OG-N 2.98Å; S304-T307 PolarHBondContact OG-OG1 3.36Å; T307-K311 HydrophobicContact CG2-CD 3.89Å; T307-K311 HydrophobicContact CG2-CG 4.47Å; T307-K311 VanDerWaalsContact O-CB 3.26Å; T307-K311 WeakPolarHBondContact O-CB 3.45Å; T307-K311 WeakPolarHBondContact O-CD 3.33Å; T307-K311 WeakPolarHBondContact O-CG 3.45Å; T307-K311 PolarHBondContact O-N 3.48Å; T307-K311 VanDerWaalsContact O-N 3.09Å
308	F	97.8	Very high	96.6	Very high	9 Å²	9	36.6 Å²	36.6	4%	0.039	19%	0.193	C	C	.	.	H	α-helix	trans	-69.3	-43.6	173	-172	-81.7	0	0	0	111.5	P303 S304 F306 K311 N312 Y317 F353 Y358 R371 I373	P303-F308 HydrophobicContact CG-CB 4.25Å; P303-F308 HydrophobicContact CG-CD2 4.15Å; S304-F308 PolarHBondContact O-N 3.49Å; F306-F308 VanDerWaalsContact C-N 3.28Å; F306-F308 PolarHBondContact O-N 2.83Å; F308-K311 PolarHBondContact O-N 2.87Å; F308-N312 WeakPolarHBondContact O-CB 3.24Å; F308-N312 PolarHBondContact O-N 3.46Å; F308-Y317 WeakPolarHBondContact CB-OH 3.41Å; F308-Y317 AromaticContact CD1-CE1 3.69Å; F308-Y317 HydrophobicContact CD1-CE1 3.69Å; F308-Y317 AromaticContact CD1-CZ 3.89Å; F308-Y317 WeakPolarHBondContact CD1-OH 3.23Å; F308-Y317 HydrophobicContact CE1-CE1 4.07Å; F308-F353 HydrophobicContact CB-CD2 4.4Å; F308-F353 HydrophobicContact CB-CE2 3.91Å; F308-F353 HydrophobicContact CG-CE2 4.1Å; F308-Y358 HydrophobicContact CE2-CD1 4.03Å; F308-Y358 HydrophobicContact CE2-CG 4.19Å; F308-R371 HydrophobicContact CE1-CB 4.28Å; F308-R371 HydrophobicContact CE2-CB 4.47Å; F308-R371 HydrophobicContact CZ-CB 3.75Å; F308-I373 HydrophobicContact CD2-CD1 3.98Å; F308-I373 HydrophobicContact CE1-CB 4.41Å; F308-I373 HydrophobicContact CE2-CB 4.21Å; F308-I373 HydrophobicContact CE2-CD1 3.69Å; F308-I373 HydrophobicContact CZ-CB 3.98Å; F308-I373 HydrophobicContact CZ-CD1 4.33Å
309	L	96	Very high	96.6	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-60.5	-48.2	176.2	-179.6	61.8	0	0	0	111.7	V305 F306 K311 N312 Y314 E315 Y317 E428	V305-L309 VanDerWaalsContact O-CB 3.3Å; V305-L309 WeakPolarHBondContact O-CB 3.36Å; V305-L309 PolarHBondContact O-N 3.03Å; V305-L309 VanDerWaalsContact O-N 3.16Å; F306-L309 WeakPolarHBondContact O-CB 3.44Å; F306-L309 PolarHBondContact O-N 3.27Å; F306-L309 VanDerWaalsContact O-N 3.13Å; L309-K311 PolarHBondContact O-N 3.2Å; L309-N312 PolarHBondContact O-N 2.84Å; L309-N312 VanDerWaalsContact O-N 3.09Å; L309-Y314 HydrophobicContact CD2-CD1 4.32Å; L309-Y314 HydrophobicContact CG-CD1 4.09Å; L309-Y314 WeakPolarHBondContact O-CA 3.38Å; L309-Y314 PolarHBondContact O-N 3.17Å; L309-E315 WeakPolarHBondContact CD1-O 3.4Å; L309-Y317 HydrophobicContact CB-CE2 4.14Å; L309-Y317 HydrophobicContact CD1-CE2 4.33Å; L309-E428 HydrophobicContact CD2-CG 4.2Å
310	E	95.7	Very high	96.6	Very high	53 Å²	53	39.5 Å²	39.5	25%	0.248	20%	0.203	C	C	.	.	H	α-helix	trans	-59.2	-46.7	176.2	-179.6	-179.7	-129.5	0	0	111.8	F306 N312 D313 Y314	F306-E310 HydrophobicContact CE1-CB 4.3Å; F306-E310 PolarHBondContact O-N 3.48Å; E310-N312 PolarHBondContact O-N 2.78Å; E310-N312 VanDerWaalsContact O-N 3.09Å; E310-D313 PolarHBondContact O-N 2.95Å; E310-D313 VanDerWaalsContact O-N 3.11Å; E310-Y314 HydrophobicContact CB-CE2 4.41Å; E310-Y314 HydrophobicContact CG-CE2 4.17Å
311	K	95.6	Very high	96.6	Very high	125 Å²	125	37.9 Å²	37.9	54%	0.543	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-0.3	176.8	-73	175.2	-179.6	172.8	0	114.4	T307 F308 L309 R371	T307-K311 HydrophobicContact CG2-CD 3.89Å; T307-K311 HydrophobicContact CG2-CG 4.47Å; T307-K311 VanDerWaalsContact O-CB 3.26Å; T307-K311 WeakPolarHBondContact O-CB 3.45Å; T307-K311 WeakPolarHBondContact O-CD 3.33Å; T307-K311 WeakPolarHBondContact O-CG 3.45Å; T307-K311 PolarHBondContact O-N 3.48Å; T307-K311 VanDerWaalsContact O-N 3.09Å; F308-K311 PolarHBondContact O-N 2.87Å; L309-K311 PolarHBondContact O-N 3.2Å; K311-R371 PolarHBondContact O-NH1 2.82Å
312	N	95.7	Very high	96.6	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.037	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	16.4	175.5	-148.3	9.8	0	0	0	111.6	F308 L309 E310 Y314 E315 R368 R371	F308-N312 WeakPolarHBondContact O-CB 3.24Å; F308-N312 PolarHBondContact O-N 3.46Å; L309-N312 PolarHBondContact O-N 2.84Å; L309-N312 VanDerWaalsContact O-N 3.09Å; E310-N312 PolarHBondContact O-N 2.78Å; E310-N312 VanDerWaalsContact O-N 3.09Å; N312-Y314 VanDerWaalsContact C-N 3.29Å; N312-Y314 PolarHBondContact O-N 2.88Å; N312-E315 HydrophobicContact CB-CB 4Å; N312-E315 WeakPolarHBondContact O-CB 3.39Å; N312-E315 PolarHBondContact O-N 3.22Å; N312-E315 VanDerWaalsContact O-N 3.14Å; N312-R368 PolarHBondContact O-NH2 3.4Å; N312-R368 VanDerWaalsContact O-NH2 3.1Å; N312-R371 PolarHBondContact ND2-O 3.4Å; N312-R371 PolarHBondContact OD1-N 2.83Å
313	D	94.4	Very high	96.6	Very high	123 Å²	123	35.4 Å²	35.4	66%	0.658	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	40.2	-171.4	-48.1	-63	0	0	0	113.4	E310 E315 R368	E310-D313 PolarHBondContact O-N 2.95Å; E310-D313 VanDerWaalsContact O-N 3.11Å; D313-E315 PolarHBondContact O-N 2.85Å; D313-R368 IonicContact OD2-NH1 3.95Å; D313-R368 PolarHBondContact OD2-NH1 3.08Å
314	Y	94.6	Very high	96.7	Very high	77 Å²	77	35.2 Å²	35.2	30%	0.302	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	30	-177.5	-57.9	-95.9	0	0	0	113.3	L309 E310 N312 P316	L309-Y314 HydrophobicContact CD2-CD1 4.32Å; L309-Y314 HydrophobicContact CG-CD1 4.09Å; L309-Y314 WeakPolarHBondContact O-CA 3.38Å; L309-Y314 PolarHBondContact O-N 3.17Å; E310-Y314 HydrophobicContact CB-CE2 4.41Å; E310-Y314 HydrophobicContact CG-CE2 4.17Å; N312-Y314 VanDerWaalsContact C-N 3.29Å; N312-Y314 PolarHBondContact O-N 2.88Å; Y314-P316 WeakPolarHBondContact O-CD 3.18Å
315	E	95.2	Very high	96.7	Very high	3 Å²	3	34.7 Å²	34.7	1%	0.014	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-59.1	120.7	165	-177.9	66.7	-160.7	0	0	110.2	L309 N312 D313 R366 R368 V370 R372	L309-E315 WeakPolarHBondContact CD1-O 3.4Å; N312-E315 HydrophobicContact CB-CB 4Å; N312-E315 WeakPolarHBondContact O-CB 3.39Å; N312-E315 PolarHBondContact O-N 3.22Å; N312-E315 VanDerWaalsContact O-N 3.14Å; D313-E315 PolarHBondContact O-N 2.85Å; E315-R366 IonicContact OE1-CZ 3.18Å; E315-R366 IonicContact OE1-NE 3.54Å; E315-R366 PolarHBondContact OE1-NE 3.44Å; E315-R366 IonicContact OE1-NH1 3.65Å; E315-R366 PolarHBondContact OE1-NH1 2.85Å; E315-R366 VanDerWaalsContact OE1-NH1 3.14Å; E315-R366 IonicContact OE1-NH2 3.91Å; E315-R366 WeakPolarHBondContact OE2-CD 3.46Å; E315-R366 IonicContact OE2-CZ 3.16Å; E315-R366 IonicContact OE2-NE 3.97Å; E315-R366 IonicContact OE2-NH1 3.47Å; E315-R366 PolarHBondContact OE2-NH1 3.2Å; E315-R368 IonicContact OE2-CZ 3.12Å; E315-R368 IonicContact OE2-NE 3.49Å; E315-R368 IonicContact OE2-NH2 2.77Å; E315-R368 PolarHBondContact OE2-NH2 2.9Å; E315-V370 HydrophobicContact CG-CB 3.99Å; E315-V370 HydrophobicContact CG-CG1 3.99Å; E315-V370 HydrophobicContact CG-CG2 4.37Å; E315-R372 IonicContact OE1-CZ 2.69Å; E315-R372 IonicContact OE1-NH1 2.64Å; E315-R372 IonicContact OE1-NH2 2.88Å; E315-R372 PolarHBondContact OE1-NH2 3.07Å
316	P	95.7	Very high	96.7	Very high	21 Å²	21	34.6 Å²	34.6	14%	0.136	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-58.3	150.6	176.3	-21.4	32.4	0	0	0	112	Y314 R372 V430	Y314-P316 WeakPolarHBondContact O-CD 3.18Å; P316-R372 PolarHBondContact O-NH1 2.74Å; P316-V430 WeakPolarHBondContact CB-O 3.29Å
317	Y	97.3	Very high	96.7	Very high	15 Å²	15	34.9 Å²	34.9	6%	0.059	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-65.8	159.6	171	-70.3	-84.3	0	0	0	110.4	V305 F308 L309 Q321 I325 F353 L429	V305-Y317 HydrophobicContact CG1-CE2 3.79Å; V305-Y317 PolarHBondContact O-OH 2.86Å; F308-Y317 WeakPolarHBondContact CB-OH 3.41Å; F308-Y317 AromaticContact CD1-CE1 3.69Å; F308-Y317 HydrophobicContact CD1-CE1 3.69Å; F308-Y317 AromaticContact CD1-CZ 3.89Å; F308-Y317 WeakPolarHBondContact CD1-OH 3.23Å; F308-Y317 HydrophobicContact CE1-CE1 4.07Å; L309-Y317 HydrophobicContact CB-CE2 4.14Å; L309-Y317 HydrophobicContact CD1-CE2 4.33Å; Y317-Q321 HydrophobicContact CD1-CB 4.39Å; Y317-I325 HydrophobicContact CD1-CD1 4.32Å; Y317-I325 HydrophobicContact CE1-CD1 4.46Å; Y317-F353 HydrophobicContact CE1-CE2 4.2Å; Y317-F353 AromaticContact CE1-CZ 3.7Å; Y317-F353 HydrophobicContact CE1-CZ 3.7Å; Y317-L429 HydrophobicContact CD2-CB 4.17Å; Y317-L429 HydrophobicContact CD2-CD2 3.76Å; Y317-L429 HydrophobicContact CD2-CG 4.5Å; Y317-L429 HydrophobicContact CE2-CD2 3.75Å; Y317-L429 PolarHBondContact N-O 2.93Å; Y317-L429 VanDerWaalsContact N-O 3.14Å
318	T	96.1	Very high	96.8	Very high	47 Å²	47	33.6 Å²	33.6	29%	0.288	16%	0.161	S	C	.	.	P	Polyproline II helix	trans	-65.8	152.4	169.2	66.6	0	0	0	0	109.3	E320 Q321 C322	T318-E320 PolarHBondContact O-N 3.3Å; T318-Q321 VanDerWaalsContact N-OE1 3.14Å; T318-Q321 WeakPolarHBondContact O-CB 3.22Å; T318-Q321 PolarHBondContact O-N 2.72Å; T318-Q321 WeakPolarHBondContact OG1-CB 3.36Å; T318-Q321 VanDerWaalsContact OG1-CD 3.25Å; T318-Q321 WeakPolarHBondContact OG1-CG 3.49Å; T318-Q321 PolarHBondContact OG1-N 2.89Å; T318-Q321 PolarHBondContact OG1-OE1 3.12Å; T318-C322 PolarHBondContact O-N 2.95Å; T318-C322 PolarHBondContact O-SG 2.93Å; T318-C322 VanDerWaalsContact O-SG 3.34Å
319	I	96.5	Very high	96.9	Very high	29 Å²	29	33.1 Å²	33.1	15%	0.149	16%	0.159	C	C	.	.	H	α-helix	trans	-62.8	-31.3	-175.3	-165.6	55.6	0	0	0	112.5	C322 A323 V430 K505 A508 F534 F538	I319-C322 HydrophobicContact CD1-CB 4.49Å; I319-C322 WeakPolarHBondContact O-CB 3.47Å; I319-C322 PolarHBondContact O-N 3.23Å; I319-A323 PolarHBondContact O-N 3.18Å; I319-V430 HydrophobicContact CD1-CG2 4.03Å; I319-K505 HydrophobicContact CD1-CG 3.93Å; I319-K505 HydrophobicContact CG1-CG 4.18Å; I319-A508 HydrophobicContact CD1-CB 3.98Å; I319-F534 HydrophobicContact CD1-CE2 3.69Å; I319-F534 HydrophobicContact CD1-CZ 4.09Å; I319-F534 HydrophobicContact CG1-CE2 3.98Å; I319-F538 HydrophobicContact CG2-CZ 4.02Å
320	E	96.8	Very high	97	Very high	105 Å²	105	33.1 Å²	33.1	49%	0.491	16%	0.159	S	C	.	.	H	α-helix	trans	-63.2	-48.8	168.9	176.5	179	-159.7	0	0	112.5	T318 C322 A323 I324 F538	T318-E320 PolarHBondContact O-N 3.3Å; E320-C322 VanDerWaalsContact C-N 3.3Å; E320-C322 PolarHBondContact O-N 3.38Å; E320-A323 PolarHBondContact O-N 3.29Å; E320-A323 VanDerWaalsContact O-N 3.14Å; E320-I324 HydrophobicContact CG-CD1 3.84Å; E320-I324 WeakPolarHBondContact O-CG1 3.31Å; E320-I324 PolarHBondContact O-N 3.01Å; E320-F538 HydrophobicContact CB-CD1 3.73Å; E320-F538 HydrophobicContact CB-CE1 3.72Å; E320-F538 HydrophobicContact CB-CG 4.46Å; E320-F538 HydrophobicContact CB-CZ 4.45Å; E320-F538 HydrophobicContact CG-CD1 3.74Å; E320-F538 HydrophobicContact CG-CE1 4.2Å; E320-F538 HydrophobicContact CG-CG 4.45Å
321	Q	97.5	Very high	97.1	Very high	18 Å²	18	33.4 Å²	33.4	8%	0.084	16%	0.16	C	C	.	.	H	α-helix	trans	-59.8	-40.7	174.6	-75.3	165.1	-13.3	0	0	111.2	Y317 T318 A323 I324 I325 I373 P376	Y317-Q321 HydrophobicContact CD1-CB 4.39Å; T318-Q321 VanDerWaalsContact N-OE1 3.14Å; T318-Q321 WeakPolarHBondContact O-CB 3.22Å; T318-Q321 PolarHBondContact O-N 2.72Å; T318-Q321 WeakPolarHBondContact OG1-CB 3.36Å; T318-Q321 VanDerWaalsContact OG1-CD 3.25Å; T318-Q321 WeakPolarHBondContact OG1-CG 3.49Å; T318-Q321 PolarHBondContact OG1-N 2.89Å; T318-Q321 PolarHBondContact OG1-OE1 3.12Å; Q321-A323 PolarHBondContact O-N 3.41Å; Q321-I324 PolarHBondContact O-N 3.17Å; Q321-I325 WeakPolarHBondContact O-CB 3.48Å; Q321-I325 WeakPolarHBondContact O-CD1 3.34Å; Q321-I325 WeakPolarHBondContact O-CG1 3.44Å; Q321-I325 PolarHBondContact O-N 2.68Å; Q321-I373 HydrophobicContact CG-CG2 4.25Å; Q321-I373 PolarHBondContact NE2-O 3.29Å; Q321-P376 HydrophobicContact CG-CB 4.24Å; Q321-P376 HydrophobicContact CG-CG 4.32Å
322	C	98.2	Very high	97.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.3	-46.5	173.4	-62.9	0	0	0	0	111.8	T318 I319 E320 V326 L426 L429 V430 F534	T318-C322 PolarHBondContact O-N 2.95Å; T318-C322 PolarHBondContact O-SG 2.93Å; T318-C322 VanDerWaalsContact O-SG 3.34Å; I319-C322 HydrophobicContact CD1-CB 4.49Å; I319-C322 WeakPolarHBondContact O-CB 3.47Å; I319-C322 PolarHBondContact O-N 3.23Å; E320-C322 VanDerWaalsContact C-N 3.3Å; E320-C322 PolarHBondContact O-N 3.38Å; C322-V326 WeakPolarHBondContact O-CB 3.36Å; C322-V326 WeakPolarHBondContact O-CG2 3.37Å; C322-V326 PolarHBondContact O-N 3.31Å; C322-L426 HydrophobicContact CB-CD1 4.32Å; C322-L429 HydrophobicContact CB-CB 4.41Å; C322-V430 HydrophobicContact CB-CG2 4.12Å; C322-F534 HydrophobicContact CB-CZ 4.13Å
323	A	98	Very high	97.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.9	-44.2	179.3	0	0	0	0	0	112	I319 E320 Q321 R327 F534 F538	I319-A323 PolarHBondContact O-N 3.18Å; E320-A323 PolarHBondContact O-N 3.29Å; E320-A323 VanDerWaalsContact O-N 3.14Å; Q321-A323 PolarHBondContact O-N 3.41Å; A323-R327 VanDerWaalsContact O-CB 3.24Å; A323-R327 WeakPolarHBondContact O-CB 3.4Å; A323-R327 PolarHBondContact O-N 3.21Å; A323-F534 HydrophobicContact CB-CE1 4Å; A323-F534 HydrophobicContact CB-CE2 4Å; A323-F534 HydrophobicContact CB-CZ 3.65Å; A323-F538 HydrophobicContact CB-CB 3.92Å; A323-F538 HydrophobicContact CB-CD2 3.38Å; A323-F538 HydrophobicContact CB-CE2 4.18Å; A323-F538 HydrophobicContact CB-CG 3.89Å
324	I	97.9	Very high	97.6	Very high	30 Å²	30	21.3 Å²	21.3	15%	0.154	10%	0.102	C	C	.	.	H	α-helix	trans	-68.2	-41	-179.9	-63.8	164.2	0	0	0	111.6	E320 Q321 Q328 P376	E320-I324 HydrophobicContact CG-CD1 3.84Å; E320-I324 WeakPolarHBondContact O-CG1 3.31Å; E320-I324 PolarHBondContact O-N 3.01Å; Q321-I324 PolarHBondContact O-N 3.17Å; I324-Q328 WeakPolarHBondContact O-CG 3.23Å; I324-Q328 PolarHBondContact O-N 2.94Å; I324-Q328 PolarHBondContact O-NE2 3.45Å; I324-P376 HydrophobicContact CB-CG 4.09Å; I324-P376 HydrophobicContact CD1-CG 3.95Å; I324-P376 HydrophobicContact CG2-CB 4.24Å; I324-P376 HydrophobicContact CG2-CG 3.77Å
325	I	98.5	Very high	97.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.8	-47.7	176.3	-68.1	164.8	0	0	0	110.4	Y317 Q321 Q328 L329 F353 P376 I378 L429	Y317-I325 HydrophobicContact CD1-CD1 4.32Å; Y317-I325 HydrophobicContact CE1-CD1 4.46Å; Q321-I325 WeakPolarHBondContact O-CB 3.48Å; Q321-I325 WeakPolarHBondContact O-CD1 3.34Å; Q321-I325 WeakPolarHBondContact O-CG1 3.44Å; Q321-I325 PolarHBondContact O-N 2.68Å; I325-Q328 PolarHBondContact O-N 2.75Å; I325-L329 WeakPolarHBondContact O-CB 3.45Å; I325-L329 PolarHBondContact O-N 3.28Å; I325-F353 HydrophobicContact CD1-CE1 3.83Å; I325-F353 HydrophobicContact CD1-CZ 3.89Å; I325-F353 HydrophobicContact CG1-CE1 4.16Å; I325-P376 HydrophobicContact CG1-CB 4.17Å; I325-I378 HydrophobicContact CG1-CG2 4.18Å; I325-I378 HydrophobicContact CG2-CG2 4.38Å; I325-L429 HydrophobicContact CB-CD1 4.14Å; I325-L429 HydrophobicContact CD1-CD1 4.45Å; I325-L429 HydrophobicContact CG2-CD1 3.75Å
326	V	98.6	Very high	97.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-70.8	-32.7	-178.3	173.7	0	0	0	0	112.1	C322 L329 C330 I422 L426 L429 L511 M515 I535	C322-V326 WeakPolarHBondContact O-CB 3.36Å; C322-V326 WeakPolarHBondContact O-CG2 3.37Å; C322-V326 PolarHBondContact O-N 3.31Å; V326-L329 PolarHBondContact O-N 3.5Å; V326-C330 WeakPolarHBondContact O-CB 3.2Å; V326-C330 PolarHBondContact O-N 3.35Å; V326-C330 PolarHBondContact O-SG 2.87Å; V326-I422 HydrophobicContact CG1-CG2 4.08Å; V326-L426 HydrophobicContact CG2-CB 4.03Å; V326-L426 HydrophobicContact CG2-CD1 3.88Å; V326-L426 HydrophobicContact CG2-CG 4.39Å; V326-L429 HydrophobicContact CG2-CD1 4.06Å; V326-L511 HydrophobicContact CG1-CD2 4.44Å; V326-M515 HydrophobicContact CG1-CE 4.35Å; V326-I535 HydrophobicContact CB-CD1 4.34Å; V326-I535 HydrophobicContact CG1-CD1 4.15Å
327	R	98.4	Very high	98	Very high	30 Å²	30	18.4 Å²	18.4	11%	0.113	9%	0.089	C	C	.	.	H	α-helix	trans	-56.5	-55.4	171	-176.1	175.3	68.3	-134.7	6.5	111.3	A323 L329 C330 E331 L530 I535 F538	A323-R327 VanDerWaalsContact O-CB 3.24Å; A323-R327 WeakPolarHBondContact O-CB 3.4Å; A323-R327 PolarHBondContact O-N 3.21Å; R327-L329 VanDerWaalsContact C-N 3.3Å; R327-L329 PolarHBondContact O-N 2.88Å; R327-C330 PolarHBondContact O-N 2.86Å; R327-E331 WeakPolarHBondContact CG-OE1 3.05Å; R327-E331 WeakPolarHBondContact O-CG 3.46Å; R327-E331 PolarHBondContact O-N 3.29Å; R327-L530 HydrophobicContact CG-CD2 3.84Å; R327-L530 WeakPolarHBondContact O-CD2 3.35Å; R327-I535 HydrophobicContact CB-CD1 4.35Å; R327-I535 HydrophobicContact CB-CG2 3.87Å; R327-I535 HydrophobicContact CG-CG2 3.75Å; R327-F538 PolarHBondContact NH1-O 3.11Å
328	Q	98.3	Very high	98	Very high	12 Å²	12	25.1 Å²	25.1	6%	0.056	11%	0.114	C	C	.	.	H	α-helix	trans	-62.5	-37.7	-179.9	-68.6	168.5	91.3	0	0	112.1	H280 I324 I325 E331 A332 P376 S377 I378	H280-Q328 PolarHBondContact CD2-O 2.86Å; I324-Q328 WeakPolarHBondContact O-CG 3.23Å; I324-Q328 PolarHBondContact O-N 2.94Å; I324-Q328 PolarHBondContact O-NE2 3.45Å; I325-Q328 PolarHBondContact O-N 2.75Å; Q328-E331 PolarHBondContact O-N 3.13Å; Q328-A332 WeakPolarHBondContact O-CB 3.49Å; Q328-A332 PolarHBondContact O-N 3.01Å; Q328-P376 PolarHBondContact NE2-O 3.38Å; Q328-S377 VanDerWaalsContact OE1-CA 3.25Å; Q328-I378 HydrophobicContact CB-CD1 3.75Å; Q328-I378 HydrophobicContact CB-CG1 3.64Å; Q328-I378 HydrophobicContact CG-CG1 4.45Å
329	L	98.7	Very high	98	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.3	-41.6	175.4	-176.5	61.1	0	0	0	112	I325 V326 R327 A332 V333 I351 L380 I422 I425	I325-L329 WeakPolarHBondContact O-CB 3.45Å; I325-L329 PolarHBondContact O-N 3.28Å; V326-L329 PolarHBondContact O-N 3.5Å; R327-L329 VanDerWaalsContact C-N 3.3Å; R327-L329 PolarHBondContact O-N 2.88Å; L329-A332 PolarHBondContact O-N 2.9Å; L329-V333 HydrophobicContact CD1-CG2 4.23Å; L329-V333 WeakPolarHBondContact O-CB 3.39Å; L329-V333 VanDerWaalsContact O-CG2 3.29Å; L329-V333 WeakPolarHBondContact O-CG2 3.37Å; L329-V333 PolarHBondContact O-N 2.87Å; L329-I351 HydrophobicContact CD1-CD1 3.94Å; L329-I351 HydrophobicContact CD1-CG1 4.19Å; L329-I351 HydrophobicContact CD2-CD1 3.64Å; L329-I351 HydrophobicContact CG-CD1 4.4Å; L329-L380 HydrophobicContact CD1-CD1 4.16Å; L329-L380 HydrophobicContact CD1-CD2 4.35Å; L329-I422 HydrophobicContact CD2-CB 4.47Å; L329-I422 HydrophobicContact CD2-CG1 3.92Å; L329-I422 HydrophobicContact CD2-CG2 4.09Å; L329-I422 HydrophobicContact CG-CD1 4.26Å; L329-I422 HydrophobicContact CG-CG1 4.11Å; L329-I425 HydrophobicContact CD2-CD1 4.28Å; L329-I425 HydrophobicContact CD2-CG2 4.39Å
330	C	98.6	Very high	98	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-68.1	-36.3	173.5	-76	0	0	0	0	112.2	V326 R327 A334 C526 L530	V326-C330 WeakPolarHBondContact O-CB 3.2Å; V326-C330 PolarHBondContact O-N 3.35Å; V326-C330 PolarHBondContact O-SG 2.87Å; R327-C330 PolarHBondContact O-N 2.86Å; C330-A334 WeakPolarHBondContact O-CB 3.27Å; C330-A334 PolarHBondContact O-N 2.84Å; C330-C526 HydrophobicContact CB-CB 4.15Å; C330-C526 WeakPolarHBondContact O-CB 3.3Å; C330-L530 HydrophobicContact CB-CD2 3.69Å; C330-L530 HydrophobicContact CB-CG 4.05Å
331	E	98.2	Very high	98.1	Very high	60 Å²	60	25 Å²	25	28%	0.28	11%	0.109	S	C	.	.	H	α-helix	trans	-60.5	-45.4	172.5	-76.7	163.3	-177.1	0	0	111.3	H280 R327 Q328 F335 L530	H280-E331 IonicContact CD2-OE2 3.69Å; H280-E331 IonicContact CE1-OE2 3.14Å; H280-E331 IonicContact NE2-OE2 2.71Å; H280-E331 PolarHBondContact NE2-OE2 3.08Å; R327-E331 WeakPolarHBondContact CG-OE1 3.05Å; R327-E331 WeakPolarHBondContact O-CG 3.46Å; R327-E331 PolarHBondContact O-N 3.29Å; Q328-E331 PolarHBondContact O-N 3.13Å; E331-F335 WeakPolarHBondContact O-CB 3.3Å; E331-F335 PolarHBondContact O-N 2.98Å; E331-L530 HydrophobicContact CG-CD1 3.87Å; E331-L530 HydrophobicContact CG-CD2 3.82Å
332	A	98.6	Very high	98.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63	-52.7	176.1	0	0	0	0	0	112.7	S279 H280 Q328 L329 A334 F335 L336 L380	S279-A332 WeakPolarHBondContact O-CA 3.44Å; S279-A332 WeakPolarHBondContact O-CB 3.28Å; H280-A332 HydrophobicContact CB-CB 4.33Å; Q328-A332 WeakPolarHBondContact O-CB 3.49Å; Q328-A332 PolarHBondContact O-N 3.01Å; L329-A332 PolarHBondContact O-N 2.9Å; A332-A334 VanDerWaalsContact C-N 3.33Å; A332-A334 PolarHBondContact O-N 2.88Å; A332-F335 WeakPolarHBondContact O-CA 3.15Å; A332-F335 WeakPolarHBondContact O-CB 3.45Å; A332-F335 PolarHBondContact O-N 2.84Å; A332-L336 WeakPolarHBondContact O-CG 3.29Å; A332-L336 PolarHBondContact O-N 2.92Å; A332-L380 HydrophobicContact CB-CB 4.38Å; A332-L380 HydrophobicContact CB-CD2 3.87Å
333	V	98.7	Very high	98.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-69.1	-34.4	-176.8	175.1	0	0	0	0	110.8	L329 F335 L336 H337 L346 L380 D418 I422 C526	L329-V333 HydrophobicContact CD1-CG2 4.23Å; L329-V333 WeakPolarHBondContact O-CB 3.39Å; L329-V333 VanDerWaalsContact O-CG2 3.29Å; L329-V333 WeakPolarHBondContact O-CG2 3.37Å; L329-V333 PolarHBondContact O-N 2.87Å; V333-F335 VanDerWaalsContact C-N 3.32Å; V333-F335 PolarHBondContact O-N 2.82Å; V333-L336 PolarHBondContact O-N 3.28Å; V333-H337 WeakPolarHBondContact CG1-CE1 3.46Å; V333-H337 VanDerWaalsContact CG1-NE2 3.3Å; V333-H337 WeakPolarHBondContact CG1-NE2 3.41Å; V333-H337 VanDerWaalsContact O-CB 3.28Å; V333-H337 WeakPolarHBondContact O-CB 3.29Å; V333-H337 PolarHBondContact O-CD2 2.91Å; V333-H337 VanDerWaalsContact O-CD2 3.29Å; V333-H337 PolarHBondContact O-N 3.14Å; V333-L346 HydrophobicContact CG2-CD1 3.68Å; V333-L346 HydrophobicContact CG2-CD2 4.23Å; V333-L380 HydrophobicContact CG2-CD2 4.07Å; V333-D418 HydrophobicContact CG1-CB 3.88Å; V333-I422 HydrophobicContact CB-CD1 4.1Å; V333-I422 HydrophobicContact CG1-CD1 4.15Å; V333-I422 HydrophobicContact CG2-CD1 4.07Å; V333-C526 VanDerWaalsContact CG1-SG 3.53Å
334	A	98.1	Very high	98.1	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.008	11%	0.106	C	C	.	.	H	α-helix	trans	-64	-34.7	169.7	0	0	0	0	0	112.6	C330 A332 R338 C526	C330-A334 WeakPolarHBondContact O-CB 3.27Å; C330-A334 PolarHBondContact O-N 2.84Å; A332-A334 VanDerWaalsContact C-N 3.33Å; A332-A334 PolarHBondContact O-N 2.88Å; A334-R338 WeakPolarHBondContact O-CB 3.17Å; A334-R338 VanDerWaalsContact O-CG 3.27Å; A334-R338 WeakPolarHBondContact O-CG 3.45Å; A334-R338 PolarHBondContact O-N 3Å; A334-R338 PolarHBondContact O-NH1 3.09Å; A334-C526 HydrophobicContact CB-CB 3.79Å
335	F	98.2	Very high	98.1	Very high	18 Å²	18	23.8 Å²	23.8	8%	0.079	10%	0.104	C	C	.	.	H	α-helix	trans	-64.8	-47.7	172.2	166.6	-90.4	0	0	0	111.8	I270 L273 D274 E331 A332 V333 H337 R338 N339	I270-F335 HydrophobicContact CG1-CE1 4.41Å; I270-F335 HydrophobicContact CG2-CE1 4.15Å; L273-F335 HydrophobicContact CB-CE2 4.12Å; L273-F335 HydrophobicContact CB-CZ 3.74Å; D274-F335 HydrophobicContact CB-CE1 4.49Å; D274-F335 HydrophobicContact CB-CE2 3.94Å; D274-F335 HydrophobicContact CB-CZ 3.73Å; E331-F335 WeakPolarHBondContact O-CB 3.3Å; E331-F335 PolarHBondContact O-N 2.98Å; A332-F335 WeakPolarHBondContact O-CA 3.15Å; A332-F335 WeakPolarHBondContact O-CB 3.45Å; A332-F335 PolarHBondContact O-N 2.84Å; V333-F335 VanDerWaalsContact C-N 3.32Å; V333-F335 PolarHBondContact O-N 2.82Å; F335-H337 PolarHBondContact O-N 2.88Å; F335-R338 PolarHBondContact O-N 2.92Å; F335-N339 WeakPolarHBondContact CE2-ND2 3.44Å; F335-N339 PolarHBondContact O-N 3.49Å; F335-N339 PolarHBondContact O-ND2 3.19Å
336	L	98.2	Very high	98.1	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-58.9	-48.7	175.6	-58.8	171	0	0	0	110.7	I270 A332 V333 R338 N339 K340 L341 H343 L380 F383	I270-L336 HydrophobicContact CD1-CD2 3.79Å; I270-L336 HydrophobicContact CG1-CD2 4.13Å; A332-L336 WeakPolarHBondContact O-CG 3.29Å; A332-L336 PolarHBondContact O-N 2.92Å; V333-L336 PolarHBondContact O-N 3.28Å; L336-R338 PolarHBondContact O-N 3.09Å; L336-N339 CarbonylContact O-C 3.54Å; L336-N339 WeakPolarHBondContact O-CA 3.31Å; L336-N339 PolarHBondContact O-N 2.97Å; L336-K340 PolarHBondContact O-N 3.43Å; L336-L341 CarbonylContact C-O 3.49Å; L336-L341 HydrophobicContact CB-CB 4.35Å; L336-L341 WeakPolarHBondContact CB-O 3.34Å; L336-L341 HydrophobicContact CD2-CD2 3.73Å; L336-L341 HydrophobicContact CD2-CG 4.35Å; L336-L341 PolarHBondContact O-N 3.13Å; L336-H343 HydrophobicContact CD1-CB 4.13Å; L336-L380 HydrophobicContact CD1-CD2 4.03Å; L336-F383 HydrophobicContact CD1-CE1 3.92Å; L336-F383 HydrophobicContact CD2-CE1 3.88Å
337	H	98.1	Very high	98.1	Very high	21 Å²	21	25 Å²	25	10%	0.097	11%	0.109	C	C	.	.	H	α-helix	trans	-64.4	-34.7	-176.7	-70.9	-175.3	0	0	0	113.7	V333 F335 N339 K340 L341 R415 D418	V333-H337 WeakPolarHBondContact CG1-CE1 3.46Å; V333-H337 VanDerWaalsContact CG1-NE2 3.3Å; V333-H337 WeakPolarHBondContact CG1-NE2 3.41Å; V333-H337 VanDerWaalsContact O-CB 3.28Å; V333-H337 WeakPolarHBondContact O-CB 3.29Å; V333-H337 PolarHBondContact O-CD2 2.91Å; V333-H337 VanDerWaalsContact O-CD2 3.29Å; V333-H337 PolarHBondContact O-N 3.14Å; F335-H337 PolarHBondContact O-N 2.88Å; H337-N339 VanDerWaalsContact C-N 3.26Å; H337-N339 PolarHBondContact O-N 3.25Å; H337-K340 PolarHBondContact O-N 3.2Å; H337-L341 PolarHBondContact CD2-O 3.16Å; H337-L341 PolarHBondContact N-O 3.14Å; H337-R415 HydrophobicContact CB-CG 4.36Å; H337-R415 PolarHBondContact CE1-O 3.09Å; H337-R415 PolarHBondContact NE2-O 3.04Å; H337-R415 WeakPolarHBondContact O-CD 3.29Å; H337-R415 PolarHBondContact O-NH1 3.48Å; H337-D418 IonicContact CD2-OD2 3.04Å; H337-D418 IonicContact CE1-OD2 3.53Å; H337-D418 IonicContact NE2-OD2 2.72Å; H337-D418 PolarHBondContact NE2-OD2 3.1Å
338	R	97.2	Very high	98	Very high	155 Å²	155	23.7 Å²	23.7	59%	0.585	10%	0.104	S	C	*	.	H	α-helix	trans	-65.2	-31.9	172.2	-78.2	-173.7	-56	-96.2	3.8	112.1	A334 F335 L336 K340	A334-R338 WeakPolarHBondContact O-CB 3.17Å; A334-R338 VanDerWaalsContact O-CG 3.27Å; A334-R338 WeakPolarHBondContact O-CG 3.45Å; A334-R338 PolarHBondContact O-N 3Å; A334-R338 PolarHBondContact O-NH1 3.09Å; F335-R338 PolarHBondContact O-N 2.92Å; L336-R338 PolarHBondContact O-N 3.09Å; R338-K340 VanDerWaalsContact C-N 3.3Å; R338-K340 PolarHBondContact O-N 3.38Å
339	N	96.5	Very high	98	Very high	52 Å²	52	25.9 Å²	25.9	28%	0.278	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	23.9	179	-65.2	-60.6	0	0	0	113	L273 F335 L336 H337 L341	L273-N339 HydrophobicContact CD1-CB 3.96Å; F335-N339 WeakPolarHBondContact CE2-ND2 3.44Å; F335-N339 PolarHBondContact O-N 3.49Å; F335-N339 PolarHBondContact O-ND2 3.19Å; L336-N339 CarbonylContact O-C 3.54Å; L336-N339 WeakPolarHBondContact O-CA 3.31Å; L336-N339 PolarHBondContact O-N 2.97Å; H337-N339 VanDerWaalsContact C-N 3.26Å; H337-N339 PolarHBondContact O-N 3.25Å; N339-L341 PolarHBondContact O-N 3.31Å
340	K	97.2	Very high	97.9	Very high	122 Å²	122	26.4 Å²	26.4	53%	0.53	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	30.2	178.1	-55.6	-179.1	-177.2	176.4	0	114.4	L336 H337 R338 F388 D389	L336-K340 PolarHBondContact O-N 3.43Å; H337-K340 PolarHBondContact O-N 3.2Å; R338-K340 VanDerWaalsContact C-N 3.3Å; R338-K340 PolarHBondContact O-N 3.38Å; K340-F388 CarbonylContact O-C 3.6Å; K340-F388 VanDerWaalsContact O-CA 3.25Å; K340-F388 WeakPolarHBondContact O-CA 3.43Å; K340-D389 HydrophobicContact CB-CB 4.04Å; K340-D389 PolarHBondContact O-N 3.21Å
341	L	97.5	Very high	97.9	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.021	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.7	-178.2	-177.2	60.8	0	0	0	109.4	V266 I270 L336 H337 N339 A386 F388	V266-L341 HydrophobicContact CG1-CD1 4.42Å; V266-L341 HydrophobicContact CG1-CD2 3.71Å; V266-L341 HydrophobicContact CG2-CD1 4.45Å; I270-L341 HydrophobicContact CD1-CD2 4.17Å; I270-L341 HydrophobicContact CG1-CD2 4.22Å; L336-L341 CarbonylContact C-O 3.49Å; L336-L341 HydrophobicContact CB-CB 4.35Å; L336-L341 WeakPolarHBondContact CB-O 3.34Å; L336-L341 HydrophobicContact CD2-CD2 3.73Å; L336-L341 HydrophobicContact CD2-CG 4.35Å; L336-L341 PolarHBondContact O-N 3.13Å; H337-L341 PolarHBondContact CD2-O 3.16Å; H337-L341 PolarHBondContact N-O 3.14Å; N339-L341 PolarHBondContact O-N 3.31Å; L341-A386 HydrophobicContact CD1-CB 3.81Å; L341-A386 HydrophobicContact CG-CB 4.32Å; L341-F388 HydrophobicContact CB-CD1 4.13Å; L341-F388 HydrophobicContact CB-CE1 4.15Å; L341-F388 HydrophobicContact CD1-CD1 3.89Å; L341-F388 HydrophobicContact CD1-CD2 4.3Å; L341-F388 HydrophobicContact CD1-CE1 3.91Å; L341-F388 HydrophobicContact CD1-CE2 4.31Å; L341-F388 HydrophobicContact CD1-CG 4.09Å; L341-F388 HydrophobicContact CD1-CZ 4.12Å; L341-F388 HydrophobicContact CD2-CE1 4.28Å; L341-F388 HydrophobicContact CD2-CZ 4.5Å; L341-F388 HydrophobicContact CG-CE1 4.35Å
342	T	98.2	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	137.5	172.5	-52.1	0	0	0	0	108.4	T344 A386 T387 W413 R415 D418	T342-T344 HydrophobicContact CG2-CG2 3.89Å; T342-A386 CarbonylContact O-C 3.52Å; T342-A386 WeakPolarHBondContact O-CA 3.47Å; T342-A386 WeakPolarHBondContact O-CB 3.4Å; T342-T387 PolarHBondContact N-O 3.28Å; T342-T387 PolarHBondContact O-N 3.13Å; T342-W413 HydrophobicContact CG2-CE3 4.44Å; T342-W413 HydrophobicContact CG2-CZ3 4.01Å; T342-R415 WeakPolarHBondContact OG1-CG 3.36Å; T342-D418 VanDerWaalsContact CG2-OD2 3.3Å; T342-D418 WeakPolarHBondContact CG2-OD2 3.48Å
343	H	98.3	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.112	C	C	.	.			trans	-77.6	-36.4	-178.8	-171.6	-47.7	0	0	0	112.4	L336 D345 L346 I381 D382 F383 S385 D418	L336-H343 HydrophobicContact CD1-CB 4.13Å; H343-D345 PolarHBondContact O-N 2.75Å; H343-L346 HydrophobicContact CB-CD2 3.83Å; H343-L346 HydrophobicContact CB-CG 4.08Å; H343-L346 VanDerWaalsContact CD2-CD2 3.46Å; H343-L346 WeakPolarHBondContact CD2-CD2 3.19Å; H343-I381 PolarHBondContact NE2-O 3.37Å; H343-I381 VanDerWaalsContact NE2-O 3.12Å; H343-D382 PolarHBondContact CE1-O 3.42Å; H343-D382 VanDerWaalsContact CE1-O 3.23Å; H343-F383 AromaticContact CD2-CE1 3.76Å; H343-S385 CarbonylContact O-C 3.57Å; H343-D418 PolarHBondContact N-OD2 2.85Å
344	T	98	Very high	97.9	Very high	4 Å²	4	28.1 Å²	28.1	3%	0.025	13%	0.131	C	C	.	.	S	Bend	trans	66.4	-6.2	174.7	97.3	0	0	0	0	117.6	T342 S385 I397 Q398 W413 D418	T342-T344 HydrophobicContact CG2-CG2 3.89Å; T344-S385 WeakPolarHBondContact CG2-O 3.5Å; T344-S385 PolarHBondContact OG1-O 3.03Å; T344-I397 HydrophobicContact CG2-CD1 4.25Å; T344-I397 HydrophobicContact CG2-CG2 4.33Å; T344-Q398 WeakPolarHBondContact O-CA 3.21Å; T344-Q398 WeakPolarHBondContact O-CG 3.45Å; T344-Q398 PolarHBondContact O-N 2.89Å; T344-W413 HydrophobicContact CG2-CH2 3.79Å; T344-W413 HydrophobicContact CG2-CZ3 3.98Å; T344-D418 PolarHBondContact N-OD1 2.91Å
345	D	97.5	Very high	97.9	Very high	19 Å²	19	31.4 Å²	31.4	10%	0.102	15%	0.148	C	C	.	.			trans	-144.7	45.3	176.1	-163	33.8	0	0	0	113.6	H343 K347 N350 T399	H343-D345 PolarHBondContact O-N 2.75Å; D345-K347 PolarHBondContact O-N 3.32Å; D345-K347 IonicContact OD1-NZ 3.77Å; D345-K347 IonicContact OD2-NZ 2.65Å; D345-K347 PolarHBondContact OD2-NZ 3.01Å; D345-N350 PolarHBondContact O-ND2 3.41Å; D345-T399 VanDerWaalsContact OD1-CB 3.25Å; D345-T399 WeakPolarHBondContact OD1-CB 3.43Å; D345-T399 PolarHBondContact OD1-N 3.13Å; D345-T399 PolarHBondContact OD1-OG1 3.16Å
346	L	98.7	Very high	97.7	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.155	C	C	.	.			trans	-66	127	172.2	-63	-178	0	0	0	111.4	V333 H343 L380 D418 I422 I425	V333-L346 HydrophobicContact CG2-CD1 3.68Å; V333-L346 HydrophobicContact CG2-CD2 4.23Å; H343-L346 HydrophobicContact CB-CD2 3.83Å; H343-L346 HydrophobicContact CB-CG 4.08Å; H343-L346 VanDerWaalsContact CD2-CD2 3.46Å; H343-L346 WeakPolarHBondContact CD2-CD2 3.19Å; L346-L380 HydrophobicContact CD2-CD1 3.57Å; L346-L380 HydrophobicContact CD2-CD2 4.06Å; L346-L380 HydrophobicContact CD2-CG 4.42Å; L346-D418 HydrophobicContact CD1-CB 3.59Å; L346-D418 HydrophobicContact CG-CB 4.46Å; L346-I422 HydrophobicContact CD1-CD1 4.29Å; L346-I422 HydrophobicContact CD1-CG1 3.89Å; L346-I425 HydrophobicContact CB-CD1 4.24Å
347	K	98.1	Very high	97.7	Very high	26 Å²	26	34.2 Å²	34.2	11%	0.113	17%	0.171	C	C	.	.			trans	-161.9	157.9	178.7	62.7	-166.9	-174.2	-131.1	0	110.4	D345 E349 N350 T399 Y402	D345-K347 PolarHBondContact O-N 3.32Å; D345-K347 IonicContact OD1-NZ 3.77Å; D345-K347 IonicContact OD2-NZ 2.65Å; D345-K347 PolarHBondContact OD2-NZ 3.01Å; K347-E349 WeakPolarHBondContact CB-OE2 3.41Å; K347-E349 HydrophobicContact CD-CB 4.39Å; K347-E349 HydrophobicContact CG-CB 4.13Å; K347-E349 WeakPolarHBondContact CG-OE2 3.06Å; K347-E349 PolarHBondContact O-N 3.03Å; K347-E349 VanDerWaalsContact O-N 3.11Å; K347-N350 VanDerWaalsContact CE-CG 3.47Å; K347-N350 WeakPolarHBondContact CE-ND2 3.38Å; K347-N350 WeakPolarHBondContact CE-OD1 3.41Å; K347-N350 HydrophobicContact CG-CB 4.06Å; K347-N350 PolarHBondContact NZ-ND2 3.31Å; K347-N350 PolarHBondContact O-N 3.37Å; K347-T399 HydrophobicContact CD-CG2 4.31Å; K347-T399 WeakPolarHBondContact CD-OG1 3.39Å; K347-Y402 HydrophobicContact CB-CD2 3.52Å; K347-Y402 HydrophobicContact CB-CE2 3.34Å; K347-Y402 HydrophobicContact CB-CG 4.31Å
348	P	98.1	Very high	97.7	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-62.4	-18.4	-178.7	-19.4	32.7	0	0	0	114.3	V305 F306 Y402 I425	V305-P348 HydrophobicContact CB-CB 4.45Å; V305-P348 HydrophobicContact CG1-CB 4.41Å; V305-P348 PolarHBondContact N-O 2.87Å; F306-P348 HydrophobicContact CB-CB 3.99Å; F306-P348 PolarHBondContact N-O 2.87Å; P348-Y402 WeakPolarHBondContact CD-OH 3.4Å; P348-Y402 HydrophobicContact CG-CE1 4.27Å; P348-I425 HydrophobicContact CG-CG1 4.09Å; P348-I425 HydrophobicContact CG-CG2 4.39Å
349	E	96.6	Very high	97.7	Very high	59 Å²	59	33.1 Å²	33.1	28%	0.276	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-70.3	-30.4	171.3	-57.3	95	129.6	0	0	113.1	S304 F306 K347 I351	S304-E349 VanDerWaalsContact CB-O 3.31Å; S304-E349 WeakPolarHBondContact CB-O 3.38Å; F306-E349 HydrophobicContact CB-CB 4.43Å; F306-E349 HydrophobicContact CB-CG 3.82Å; F306-E349 HydrophobicContact CD1-CG 4.11Å; F306-E349 HydrophobicContact CD2-CG 4.36Å; F306-E349 HydrophobicContact CG-CG 3.82Å; K347-E349 WeakPolarHBondContact CB-OE2 3.41Å; K347-E349 HydrophobicContact CD-CB 4.39Å; K347-E349 HydrophobicContact CG-CB 4.13Å; K347-E349 WeakPolarHBondContact CG-OE2 3.06Å; K347-E349 PolarHBondContact O-N 3.03Å; K347-E349 VanDerWaalsContact O-N 3.11Å; E349-I351 VanDerWaalsContact C-N 3.35Å
350	N	98	Very high	97.7	Very high	11 Å²	11	36.4 Å²	36.4	6%	0.059	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-95.2	13.1	-177.5	-73.4	7.7	0	0	0	112.8	D345 K347 I381 D382	D345-N350 PolarHBondContact O-ND2 3.41Å; K347-N350 VanDerWaalsContact CE-CG 3.47Å; K347-N350 WeakPolarHBondContact CE-ND2 3.38Å; K347-N350 WeakPolarHBondContact CE-OD1 3.41Å; K347-N350 HydrophobicContact CG-CB 4.06Å; K347-N350 PolarHBondContact NZ-ND2 3.31Å; K347-N350 PolarHBondContact O-N 3.37Å; N350-I381 HydrophobicContact CB-CG1 4.24Å; N350-I381 WeakPolarHBondContact O-CG1 3.35Å; N350-I381 PolarHBondContact O-N 3Å; N350-D382 PolarHBondContact ND2-OD2 3Å
351	I	98.7	Very high	97.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	114.8	173.7	-56.2	164.6	0	0	0	106.8	S304 V305 L329 E349 I378 L380 I425	S304-I351 CarbonylContact C-O 3.59Å; S304-I351 VanDerWaalsContact CA-O 3.23Å; S304-I351 WeakPolarHBondContact CA-O 3.48Å; V305-I351 HydrophobicContact CB-CB 4.43Å; V305-I351 HydrophobicContact CG2-CB 3.98Å; V305-I351 HydrophobicContact CG2-CG2 3.63Å; V305-I351 WeakPolarHBondContact CG2-O 3.4Å; V305-I351 PolarHBondContact N-O 2.87Å; L329-I351 HydrophobicContact CD1-CD1 3.94Å; L329-I351 HydrophobicContact CD1-CG1 4.19Å; L329-I351 HydrophobicContact CD2-CD1 3.64Å; L329-I351 HydrophobicContact CG-CD1 4.4Å; E349-I351 VanDerWaalsContact C-N 3.35Å; I351-I378 HydrophobicContact CG2-CB 3.82Å; I351-I378 HydrophobicContact CG2-CD1 4.1Å; I351-I378 HydrophobicContact CG2-CG1 4.13Å; I351-I378 HydrophobicContact CG2-CG2 3.97Å; I351-L380 HydrophobicContact CG1-CD1 4.34Å; I351-I425 HydrophobicContact CD1-CD1 4.14Å; I351-I425 HydrophobicContact CD1-CG2 4.28Å
352	L	98.6	Very high	97.6	Very high	31 Å²	31	39.7 Å²	39.7	16%	0.162	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	142	-179.2	-85.1	61.8	0	0	0	110.5	L301 I378 K379 I381	L301-L352 HydrophobicContact CB-CB 4.15Å; L301-L352 HydrophobicContact CB-CD2 3.98Å; L301-L352 HydrophobicContact CD1-CB 3.94Å; L301-L352 HydrophobicContact CD1-CD2 4.19Å; L352-I378 CarbonylContact O-C 3.54Å; L352-I378 WeakPolarHBondContact O-CA 3.44Å; L352-I378 WeakPolarHBondContact O-CB 3.21Å; L352-K379 PolarHBondContact N-O 3.2Å; L352-K379 PolarHBondContact O-N 2.86Å; L352-I381 HydrophobicContact CD1-CD1 3.46Å; L352-I381 VanDerWaalsContact CD1-CD1 3.46Å; L352-I381 HydrophobicContact CD1-CG1 3.85Å; L352-I381 HydrophobicContact CD1-CG2 4.38Å; L352-I381 HydrophobicContact CD2-CD1 4.18Å; L352-I381 HydrophobicContact CG-CD1 4.46Å
353	F	98.7	Very high	97.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	142.9	167.3	-67.8	-71.1	0	0	0	110.1	G302 P303 V305 F308 Y317 I325 D355 I373 P376 S377 I378	G302-F353 VanDerWaalsContact CA-O 3.32Å; G302-F353 WeakPolarHBondContact CA-O 3.19Å; G302-F353 PolarHBondContact N-O 3.45Å; P303-F353 HydrophobicContact CG-CD2 4.48Å; P303-F353 PolarHBondContact O-N 2.89Å; P303-F353 VanDerWaalsContact O-N 3.07Å; V305-F353 HydrophobicContact CB-CE2 4.43Å; V305-F353 HydrophobicContact CG2-CD2 4.42Å; V305-F353 HydrophobicContact CG2-CE1 4.3Å; V305-F353 HydrophobicContact CG2-CE2 3.9Å; V305-F353 HydrophobicContact CG2-CZ 3.83Å; F308-F353 HydrophobicContact CB-CD2 4.4Å; F308-F353 HydrophobicContact CB-CE2 3.91Å; F308-F353 HydrophobicContact CG-CE2 4.1Å; Y317-F353 HydrophobicContact CE1-CE2 4.2Å; Y317-F353 AromaticContact CE1-CZ 3.7Å; Y317-F353 HydrophobicContact CE1-CZ 3.7Å; I325-F353 HydrophobicContact CD1-CE1 3.83Å; I325-F353 HydrophobicContact CD1-CZ 3.89Å; I325-F353 HydrophobicContact CG1-CE1 4.16Å; F353-D355 VanDerWaalsContact C-N 3.32Å; F353-D355 VanDerWaalsContact CB-O 3.26Å; F353-D355 WeakPolarHBondContact CB-O 3.26Å; F353-I373 HydrophobicContact CB-CD1 4.5Å; F353-I373 HydrophobicContact CD1-CD1 4.48Å; F353-I373 HydrophobicContact CD1-CG1 4.02Å; F353-I373 HydrophobicContact CD2-CD1 4.1Å; F353-I373 HydrophobicContact CD2-CG1 4.4Å; F353-I373 HydrophobicContact CE1-CG1 4.15Å; F353-I373 HydrophobicContact CE1-CG2 4.02Å; F353-I373 HydrophobicContact CE2-CD1 4.45Å; F353-I373 HydrophobicContact CE2-CG1 4.49Å; F353-I373 HydrophobicContact CG-CD1 4.11Å; F353-I373 HydrophobicContact CG-CG1 4.16Å; F353-I373 HydrophobicContact CZ-CB 4.5Å; F353-I373 HydrophobicContact CZ-CG1 4.38Å; F353-I373 HydrophobicContact CZ-CG2 4.13Å; F353-P376 HydrophobicContact CE1-CB 4.37Å; F353-S377 CarbonylContact C-O 3.53Å; F353-S377 WeakPolarHBondContact CA-O 3.39Å; F353-I378 HydrophobicContact CD1-CG2 3.81Å; F353-I378 HydrophobicContact CE1-CG2 3.99Å
354	V	98	Very high	96.9	Very high	65 Å²	65	46.9 Å²	46.9	39%	0.394	24%	0.241	S	C	.	.	S	Bend	trans	-62.4	-43.9	174.9	174.5	0	0	0	0	110.4	S377 K379	V354-S377 PolarHBondContact N-O 2.94Å; V354-K379 HydrophobicContact CG2-CG 4.05Å
355	D	96.9	Very high	96.5	Very high	70 Å²	70	54.1 Å²	54.1	37%	0.374	27%	0.274	S	S	.	.			trans	-123.6	145.1	173.1	173.1	45.1	0	0	0	110.5	F353 T357	F353-D355 VanDerWaalsContact C-N 3.32Å; F353-D355 VanDerWaalsContact CB-O 3.26Å; F353-D355 WeakPolarHBondContact CB-O 3.26Å; D355-T357 PolarHBondContact OD1-N 3.15Å; D355-T357 VanDerWaalsContact OD2-CB 3.24Å; D355-T357 WeakPolarHBondContact OD2-CB 3.46Å; D355-T357 VanDerWaalsContact OD2-CG2 3.26Å; D355-T357 WeakPolarHBondContact OD2-CG2 3.34Å; D355-T357 PolarHBondContact OD2-N 2.83Å; D355-T357 PolarHBondContact OD2-OG1 2.98Å
356	G	95.8	Very high	95.9	Very high	22 Å²	22	58.4 Å²	58.4	23%	0.227	29%	0.289	C	S	.	.			trans	-94.6	4.9	-178.2	0	0	0	0	0	115.3
357	T	97.7	Very high	95.6	Very high	55 Å²	55	60.7 Å²	60.7	34%	0.337	31%	0.313	S	S	.	.			trans	-71.6	142	-176.5	67.3	0	0	0	0	112.8	D355 I373 R374	D355-T357 PolarHBondContact OD1-N 3.15Å; D355-T357 VanDerWaalsContact OD2-CB 3.24Å; D355-T357 WeakPolarHBondContact OD2-CB 3.46Å; D355-T357 VanDerWaalsContact OD2-CG2 3.26Å; D355-T357 WeakPolarHBondContact OD2-CG2 3.34Å; D355-T357 PolarHBondContact OD2-N 2.83Å; D355-T357 PolarHBondContact OD2-OG1 2.98Å; T357-I373 WeakPolarHBondContact O-CD1 3.45Å; T357-R374 PolarHBondContact O-N 3.28Å
358	Y	98	Very high	95.4	Very high	85 Å²	85	62.6 Å²	62.6	33%	0.333	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	157.8	-178.6	58.8	-93.9	0	0	0	111.1	F308 E360 R371 R372	F308-Y358 HydrophobicContact CE2-CD1 4.03Å; F308-Y358 HydrophobicContact CE2-CG 4.19Å; Y358-E360 HydrophobicContact CD2-CG 4.01Å; Y358-E360 HydrophobicContact CE2-CG 3.73Å; Y358-R371 HydrophobicContact CD2-CB 3.86Å; Y358-R371 HydrophobicContact CD2-CG 3.62Å; Y358-R371 HydrophobicContact CE2-CB 4.4Å; Y358-R371 VanDerWaalsContact CE2-CD 3.47Å; Y358-R371 HydrophobicContact CE2-CG 3.67Å; Y358-R371 VanDerWaalsContact CE2-NE 3.27Å; Y358-R371 HydrophobicContact CG-CB 4.15Å; Y358-R371 HydrophobicContact CG-CG 4.28Å; Y358-R371 VanDerWaalsContact CZ-NE 3.3Å; Y358-R371 PolarHBondContact OH-NE 3.35Å; Y358-R371 PolarHBondContact OH-NH2 3.11Å; Y358-R372 CarbonylContact C-O 3.46Å; Y358-R372 WeakPolarHBondContact CA-O 3.38Å; Y358-R372 VanDerWaalsContact CB-O 3.23Å; Y358-R372 WeakPolarHBondContact CB-O 3.22Å
359	D	97.5	Very high	95.3	Very high	68 Å²	68	65.9 Å²	65.9	36%	0.364	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	148	164.6	-65.9	-54.8	0	0	0	110.4	V361 R371 R372 R374	D359-V361 HydrophobicContact CB-CG2 4.36Å; D359-R371 CarbonylContact O-C 3.58Å; D359-R371 WeakPolarHBondContact O-CA 3.33Å; D359-R372 PolarHBondContact N-O 2.99Å; D359-R372 PolarHBondContact O-N 3.38Å; D359-R374 VanDerWaalsContact CG-NE 3.3Å; D359-R374 IonicContact OD1-CZ 2.76Å; D359-R374 IonicContact OD1-NE 3.76Å; D359-R374 PolarHBondContact OD1-NE 3.25Å; D359-R374 IonicContact OD1-NH2 2.72Å; D359-R374 PolarHBondContact OD1-NH2 3.44Å; D359-R374 WeakPolarHBondContact OD2-CG 3.38Å; D359-R374 IonicContact OD2-NE 2.84Å; D359-R374 PolarHBondContact OD2-NE 2.97Å
360	E	96.7	Very high	95.3	Very high	121 Å²	121	63.2 Å²	63.2	57%	0.565	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	114.5	172.3	-67	-158.3	157.4	0	0	109.1	Y358 T369 R371	Y358-E360 HydrophobicContact CD2-CG 4.01Å; Y358-E360 HydrophobicContact CE2-CG 3.73Å; E360-T369 HydrophobicContact CB-CG2 3.71Å; E360-R371 HydrophobicContact CG-CG 4.47Å; E360-R371 IonicContact OE1-CZ 2.85Å; E360-R371 IonicContact OE1-NE 3.72Å; E360-R371 PolarHBondContact OE1-NE 3.18Å; E360-R371 IonicContact OE1-NH2 3.33Å
361	V	95.8	Very high	95.3	Very high	64 Å²	64	66.2 Å²	66.2	39%	0.388	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.5	-172.1	-177.5	0	0	0	0	109.5	D359 T369 V370 R372	D359-V361 HydrophobicContact CB-CG2 4.36Å; V361-T369 WeakPolarHBondContact O-CA 3.46Å; V361-V370 PolarHBondContact N-O 3.46Å; V361-V370 PolarHBondContact O-N 3.45Å; V361-R372 HydrophobicContact CB-CG 4.34Å; V361-R372 HydrophobicContact CG2-CB 4.44Å; V361-R372 HydrophobicContact CG2-CG 3.94Å
362	Y	95.6	Very high	95.2	Very high	131 Å²	131	68.3 Å²	68.3	51%	0.514	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	126.2	174.7	-169.6	-98.4	0	0	0	111.1	N364 G367	Y362-N364 WeakPolarHBondContact CD1-OD1 3.33Å; Y362-N364 VanDerWaalsContact CE1-OD1 3.31Å; Y362-N364 WeakPolarHBondContact CE1-OD1 3.21Å; Y362-G367 PolarHBondContact OH-O 3.39Å
363	V	92.1	Very high	95.2	Very high	19 Å²	19	67.1 Å²	67.1	12%	0.115	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	96.7	-177.5	-178	0	0	0	0	109.5	H365 R366 G367 R368 V370	V363-H365 VanDerWaalsContact C-N 3.35Å; V363-H365 WeakPolarHBondContact CG1-CE1 3.35Å; V363-H365 PolarHBondContact O-N 3.26Å; V363-R366 HydrophobicContact CB-CB 4.29Å; V363-R366 HydrophobicContact CB-CG 4.45Å; V363-R366 HydrophobicContact CG1-CB 4.08Å; V363-R366 HydrophobicContact CG1-CG 3.79Å; V363-R366 CarbonylContact O-C 3.59Å; V363-R366 WeakPolarHBondContact O-CA 3.3Å; V363-R366 PolarHBondContact O-N 2.98Å; V363-G367 PolarHBondContact O-N 3.35Å; V363-R368 PolarHBondContact N-O 3.2Å; V363-V370 HydrophobicContact CG2-CG1 4.2Å; V363-V370 HydrophobicContact CG2-CG2 3.54Å
364	N	90.4	Very high	95.1	Very high	133 Å²	133	74 Å²	74	71%	0.711	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-46.3	-51.3	-174.8	-66.9	-13.9	0	0	0	113.6	Y362 R366 G367	Y362-N364 WeakPolarHBondContact CD1-OD1 3.33Å; Y362-N364 VanDerWaalsContact CE1-OD1 3.31Å; Y362-N364 WeakPolarHBondContact CE1-OD1 3.21Å; N364-R366 PolarHBondContact O-N 3.45Å; N364-G367 PolarHBondContact O-N 3.3Å
365	H	88.9	Confident	95	Very high	155 Å²	155	74.4 Å²	74.4	72%	0.718	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-69.9	-10.8	-177.8	70.8	-98.1	0	0	0	114.5	V363	V363-H365 VanDerWaalsContact C-N 3.35Å; V363-H365 WeakPolarHBondContact CG1-CE1 3.35Å; V363-H365 PolarHBondContact O-N 3.26Å
366	R	85.5	Confident	95	Very high	110 Å²	110	71.8 Å²	71.8	42%	0.415	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-105.1	-5.8	171.6	-58.2	-170.8	-174.4	-140.6	1.2	112.7	E315 V363 N364 R368	E315-R366 IonicContact OE1-CZ 3.18Å; E315-R366 IonicContact OE1-NE 3.54Å; E315-R366 PolarHBondContact OE1-NE 3.44Å; E315-R366 IonicContact OE1-NH1 3.65Å; E315-R366 PolarHBondContact OE1-NH1 2.85Å; E315-R366 VanDerWaalsContact OE1-NH1 3.14Å; E315-R366 IonicContact OE1-NH2 3.91Å; E315-R366 WeakPolarHBondContact OE2-CD 3.46Å; E315-R366 IonicContact OE2-CZ 3.16Å; E315-R366 IonicContact OE2-NE 3.97Å; E315-R366 IonicContact OE2-NH1 3.47Å; E315-R366 PolarHBondContact OE2-NH1 3.2Å; V363-R366 HydrophobicContact CB-CB 4.29Å; V363-R366 HydrophobicContact CB-CG 4.45Å; V363-R366 HydrophobicContact CG1-CB 4.08Å; V363-R366 HydrophobicContact CG1-CG 3.79Å; V363-R366 CarbonylContact O-C 3.59Å; V363-R366 WeakPolarHBondContact O-CA 3.3Å; V363-R366 PolarHBondContact O-N 2.98Å; N364-R366 PolarHBondContact O-N 3.45Å; R366-R368 HydrophobicContact CB-CG 4.03Å; R366-R368 PolarHBondContact O-N 3.28Å
367	G	92.7	Very high	95.2	Very high	49 Å²	49	72.5 Å²	72.5	51%	0.505	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	18.4	-178.4	0	0	0	0	0	115.1	Y362 V363 N364	Y362-G367 PolarHBondContact OH-O 3.39Å; V363-G367 PolarHBondContact O-N 3.35Å; N364-G367 PolarHBondContact O-N 3.3Å
368	R	94.1	Very high	95.2	Very high	65 Å²	65	69.9 Å²	69.9	25%	0.245	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	155.9	-171	75.6	-176	-165.9	126.1	-5.5	113.3	N312 D313 E315 V363 R366 V370	N312-R368 PolarHBondContact O-NH2 3.4Å; N312-R368 VanDerWaalsContact O-NH2 3.1Å; D313-R368 IonicContact OD2-NH1 3.95Å; D313-R368 PolarHBondContact OD2-NH1 3.08Å; E315-R368 IonicContact OE2-CZ 3.12Å; E315-R368 IonicContact OE2-NE 3.49Å; E315-R368 IonicContact OE2-NH2 2.77Å; E315-R368 PolarHBondContact OE2-NH2 2.9Å; V363-R368 PolarHBondContact N-O 3.2Å; R366-R368 HydrophobicContact CB-CG 4.03Å; R366-R368 PolarHBondContact O-N 3.28Å; R368-V370 HydrophobicContact CG-CG1 3.96Å
369	T	96.1	Very high	95.2	Very high	71 Å²	71	67 Å²	67	44%	0.436	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	141.5	165.2	-51.8	0	0	0	0	110.4	E360 V361	E360-T369 HydrophobicContact CB-CG2 3.71Å; V361-T369 WeakPolarHBondContact O-CA 3.46Å
370	V	96.3	Very high	95.3	Very high	3 Å²	3	63.8 Å²	63.8	2%	0.018	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	155.6	175.9	-52.2	0	0	0	0	110.3	E315 V361 V363 R368	E315-V370 HydrophobicContact CG-CB 3.99Å; E315-V370 HydrophobicContact CG-CG1 3.99Å; E315-V370 HydrophobicContact CG-CG2 4.37Å; V361-V370 PolarHBondContact N-O 3.46Å; V361-V370 PolarHBondContact O-N 3.45Å; V363-V370 HydrophobicContact CG2-CG1 4.2Å; V363-V370 HydrophobicContact CG2-CG2 3.54Å; R368-V370 HydrophobicContact CG-CG1 3.96Å
371	R	97.4	Very high	95.3	Very high	74 Å²	74	59.7 Å²	59.7	28%	0.279	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	140.9	176.4	-60.7	-179.3	169.3	134.8	-1.3	110.9	F308 K311 N312 Y358 D359 E360	F308-R371 HydrophobicContact CE1-CB 4.28Å; F308-R371 HydrophobicContact CE2-CB 4.47Å; F308-R371 HydrophobicContact CZ-CB 3.75Å; K311-R371 PolarHBondContact O-NH1 2.82Å; N312-R371 PolarHBondContact ND2-O 3.4Å; N312-R371 PolarHBondContact OD1-N 2.83Å; Y358-R371 HydrophobicContact CD2-CB 3.86Å; Y358-R371 HydrophobicContact CD2-CG 3.62Å; Y358-R371 HydrophobicContact CE2-CB 4.4Å; Y358-R371 VanDerWaalsContact CE2-CD 3.47Å; Y358-R371 HydrophobicContact CE2-CG 3.67Å; Y358-R371 VanDerWaalsContact CE2-NE 3.27Å; Y358-R371 HydrophobicContact CG-CB 4.15Å; Y358-R371 HydrophobicContact CG-CG 4.28Å; Y358-R371 VanDerWaalsContact CZ-NE 3.3Å; Y358-R371 PolarHBondContact OH-NE 3.35Å; Y358-R371 PolarHBondContact OH-NH2 3.11Å; D359-R371 CarbonylContact O-C 3.58Å; D359-R371 WeakPolarHBondContact O-CA 3.33Å; E360-R371 HydrophobicContact CG-CG 4.47Å; E360-R371 IonicContact OE1-CZ 2.85Å; E360-R371 IonicContact OE1-NE 3.72Å; E360-R371 PolarHBondContact OE1-NE 3.18Å; E360-R371 IonicContact OE1-NH2 3.33Å
372	R	96.9	Very high	95.2	Very high	44 Å²	44	58.2 Å²	58.2	17%	0.166	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	117.8	172.8	-61.9	-62.2	175.8	-146.3	3.4	108.4	E315 P316 Y358 D359 V361 R374	E315-R372 IonicContact OE1-CZ 2.69Å; E315-R372 IonicContact OE1-NH1 2.64Å; E315-R372 IonicContact OE1-NH2 2.88Å; E315-R372 PolarHBondContact OE1-NH2 3.07Å; P316-R372 PolarHBondContact O-NH1 2.74Å; Y358-R372 CarbonylContact C-O 3.46Å; Y358-R372 WeakPolarHBondContact CA-O 3.38Å; Y358-R372 VanDerWaalsContact CB-O 3.23Å; Y358-R372 WeakPolarHBondContact CB-O 3.22Å; D359-R372 PolarHBondContact N-O 2.99Å; D359-R372 PolarHBondContact O-N 3.38Å; V361-R372 HydrophobicContact CB-CG 4.34Å; V361-R372 HydrophobicContact CG2-CB 4.44Å; V361-R372 HydrophobicContact CG2-CG 3.94Å; R372-R374 PolarHBondContact O-N 2.82Å
373	I	97.6	Very high	95.2	Very high	6 Å²	6	52 Å²	52	3%	0.031	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	130.9	178.8	-165.7	79.4	0	0	0	109.1	F308 Q321 F353 T357 P376	F308-I373 HydrophobicContact CD2-CD1 3.98Å; F308-I373 HydrophobicContact CE1-CB 4.41Å; F308-I373 HydrophobicContact CE2-CB 4.21Å; F308-I373 HydrophobicContact CE2-CD1 3.69Å; F308-I373 HydrophobicContact CZ-CB 3.98Å; F308-I373 HydrophobicContact CZ-CD1 4.33Å; Q321-I373 HydrophobicContact CG-CG2 4.25Å; Q321-I373 PolarHBondContact NE2-O 3.29Å; F353-I373 HydrophobicContact CB-CD1 4.5Å; F353-I373 HydrophobicContact CD1-CD1 4.48Å; F353-I373 HydrophobicContact CD1-CG1 4.02Å; F353-I373 HydrophobicContact CD2-CD1 4.1Å; F353-I373 HydrophobicContact CD2-CG1 4.4Å; F353-I373 HydrophobicContact CE1-CG1 4.15Å; F353-I373 HydrophobicContact CE1-CG2 4.02Å; F353-I373 HydrophobicContact CE2-CD1 4.45Å; F353-I373 HydrophobicContact CE2-CG1 4.49Å; F353-I373 HydrophobicContact CG-CD1 4.11Å; F353-I373 HydrophobicContact CG-CG1 4.16Å; F353-I373 HydrophobicContact CZ-CB 4.5Å; F353-I373 HydrophobicContact CZ-CG1 4.38Å; F353-I373 HydrophobicContact CZ-CG2 4.13Å; T357-I373 WeakPolarHBondContact O-CD1 3.45Å; I373-P376 HydrophobicContact CG2-CB 4.11Å
374	R	97.1	Very high	95.2	Very high	145 Å²	145	52 Å²	52	55%	0.547	26%	0.262	S	S	.	.	S	Bend	trans	-70.9	-44.5	-175.9	-80.4	-179.8	179.6	158.6	3.1	112.2	T357 D359 R372	T357-R374 PolarHBondContact O-N 3.28Å; D359-R374 VanDerWaalsContact CG-NE 3.3Å; D359-R374 IonicContact OD1-CZ 2.76Å; D359-R374 IonicContact OD1-NE 3.76Å; D359-R374 PolarHBondContact OD1-NE 3.25Å; D359-R374 IonicContact OD1-NH2 2.72Å; D359-R374 PolarHBondContact OD1-NH2 3.44Å; D359-R374 WeakPolarHBondContact OD2-CG 3.38Å; D359-R374 IonicContact OD2-NE 2.84Å; D359-R374 PolarHBondContact OD2-NE 2.97Å; R372-R374 PolarHBondContact O-N 2.82Å
375	N	96.8	Very high	95.3	Very high	73 Å²	73	47.2 Å²	47.2	39%	0.39	24%	0.238	S	C	.	.			trans	-123.1	109.8	175.1	-177.4	7.7	0	0	0	109.7	S377	N375-S377 PolarHBondContact ND2-OG 2.66Å; N375-S377 VanDerWaalsContact ND2-OG 3.08Å; N375-S377 PolarHBondContact O-N 2.74Å; N375-S377 VanDerWaalsContact O-N 3.11Å; N375-S377 PolarHBondContact OD1-N 3.02Å; N375-S377 PolarHBondContact OD1-OG 2.61Å
376	P	97.2	Very high	95.6	Very high	15 Å²	15	39.8 Å²	39.8	10%	0.097	20%	0.204	C	C	.	.			trans	-78	25.4	175.7	32.7	-34.3	0	0	0	113.9	Q321 I324 I325 Q328 F353 I373	Q321-P376 HydrophobicContact CG-CB 4.24Å; Q321-P376 HydrophobicContact CG-CG 4.32Å; I324-P376 HydrophobicContact CB-CG 4.09Å; I324-P376 HydrophobicContact CD1-CG 3.95Å; I324-P376 HydrophobicContact CG2-CB 4.24Å; I324-P376 HydrophobicContact CG2-CG 3.77Å; I325-P376 HydrophobicContact CG1-CB 4.17Å; Q328-P376 PolarHBondContact NE2-O 3.38Å; F353-P376 HydrophobicContact CE1-CB 4.37Å; I373-P376 HydrophobicContact CG2-CB 4.11Å
377	S	98	Very high	96.2	Very high	36 Å²	36	35.3 Å²	35.3	25%	0.252	19%	0.188	S	C	.	.			trans	-61.9	133.1	167.3	-68.4	0	0	0	0	111.3	Q328 F353 V354 N375	Q328-S377 VanDerWaalsContact OE1-CA 3.25Å; F353-S377 CarbonylContact C-O 3.53Å; F353-S377 WeakPolarHBondContact CA-O 3.39Å; V354-S377 PolarHBondContact N-O 2.94Å; N375-S377 PolarHBondContact ND2-OG 2.66Å; N375-S377 VanDerWaalsContact ND2-OG 3.08Å; N375-S377 PolarHBondContact O-N 2.74Å; N375-S377 VanDerWaalsContact O-N 3.11Å; N375-S377 PolarHBondContact OD1-N 3.02Å; N375-S377 PolarHBondContact OD1-OG 2.61Å
378	I	98.6	Very high	96.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	160.1	-177.7	62.3	87.1	0	0	0	113.2	H280 V305 I325 Q328 I351 L352 F353	H280-I378 HydrophobicContact CB-CD1 4.28Å; V305-I378 HydrophobicContact CG2-CG2 4.4Å; I325-I378 HydrophobicContact CG1-CG2 4.18Å; I325-I378 HydrophobicContact CG2-CG2 4.38Å; Q328-I378 HydrophobicContact CB-CD1 3.75Å; Q328-I378 HydrophobicContact CB-CG1 3.64Å; Q328-I378 HydrophobicContact CG-CG1 4.45Å; I351-I378 HydrophobicContact CG2-CB 3.82Å; I351-I378 HydrophobicContact CG2-CD1 4.1Å; I351-I378 HydrophobicContact CG2-CG1 4.13Å; I351-I378 HydrophobicContact CG2-CG2 3.97Å; L352-I378 CarbonylContact O-C 3.54Å; L352-I378 WeakPolarHBondContact O-CA 3.44Å; L352-I378 WeakPolarHBondContact O-CB 3.21Å; F353-I378 HydrophobicContact CD1-CG2 3.81Å; F353-I378 HydrophobicContact CE1-CG2 3.99Å
379	K	98.6	Very high	96.4	Very high	25 Å²	25	33.6 Å²	33.6	11%	0.109	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.4	160.9	-70.2	-69.6	-166	172.4	0	110.1	D277 H280 C281 L301 L352 V354	D277-K379 IonicContact OD1-NZ 3.64Å; D277-K379 PolarHBondContact OD1-NZ 2.96Å; D277-K379 IonicContact OD2-NZ 3.08Å; D277-K379 PolarHBondContact OD2-NZ 3.41Å; H280-K379 CarbonylContact O-C 3.59Å; H280-K379 WeakPolarHBondContact O-CA 3.49Å; H280-K379 WeakPolarHBondContact O-CD 3.48Å; C281-K379 PolarHBondContact O-NZ 3.26Å; L301-K379 HydrophobicContact CD1-CB 3.79Å; L301-K379 HydrophobicContact CD1-CG 4.24Å; L301-K379 HydrophobicContact CD2-CG 4.34Å; L352-K379 PolarHBondContact N-O 3.2Å; L352-K379 PolarHBondContact O-N 2.86Å; V354-K379 HydrophobicContact CG2-CG 4.05Å
380	L	98.7	Very high	96.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.8	171.9	-178.8	57	0	0	0	109.7	H280 I282 L329 A332 V333 L336 L346 I351 F383	H280-L380 PolarHBondContact O-N 2.97Å; I282-L380 PolarHBondContact N-O 2.88Å; L329-L380 HydrophobicContact CD1-CD1 4.16Å; L329-L380 HydrophobicContact CD1-CD2 4.35Å; A332-L380 HydrophobicContact CB-CB 4.38Å; A332-L380 HydrophobicContact CB-CD2 3.87Å; V333-L380 HydrophobicContact CG2-CD2 4.07Å; L336-L380 HydrophobicContact CD1-CD2 4.03Å; L346-L380 HydrophobicContact CD2-CD1 3.57Å; L346-L380 HydrophobicContact CD2-CD2 4.06Å; L346-L380 HydrophobicContact CD2-CG 4.42Å; I351-L380 HydrophobicContact CG1-CD1 4.34Å; L380-F383 HydrophobicContact CG-CZ 4.26Å
381	I	97.2	Very high	96.1	Very high	34 Å²	34	40.8 Å²	40.8	17%	0.174	20%	0.202	C	C	.	.			trans	-126.8	172.5	-173.2	74.5	156.1	0	0	0	112.7	I282 L301 H343 N350 L352	I282-I381 HydrophobicContact CB-CG2 4.03Å; I282-I381 HydrophobicContact CD1-CG2 3.93Å; I282-I381 HydrophobicContact CG2-CB 4.1Å; I282-I381 HydrophobicContact CG2-CG2 3.93Å; L301-I381 HydrophobicContact CD1-CG2 4.24Å; H343-I381 PolarHBondContact NE2-O 3.37Å; H343-I381 VanDerWaalsContact NE2-O 3.12Å; N350-I381 HydrophobicContact CB-CG1 4.24Å; N350-I381 WeakPolarHBondContact O-CG1 3.35Å; N350-I381 PolarHBondContact O-N 3Å; L352-I381 HydrophobicContact CD1-CD1 3.46Å; L352-I381 VanDerWaalsContact CD1-CD1 3.46Å; L352-I381 HydrophobicContact CD1-CG1 3.85Å; L352-I381 HydrophobicContact CD1-CG2 4.38Å; L352-I381 HydrophobicContact CD2-CD1 4.18Å; L352-I381 HydrophobicContact CG-CD1 4.46Å
382	D	94.4	Very high	95.7	Very high	33 Å²	33	44.7 Å²	44.7	18%	0.176	22%	0.223	C	C	.	.			trans	68	62.9	171.2	-164.4	36.7	0	0	0	114.2	K248 H343 N350 G384	K248-D382 IonicContact NZ-OD1 2.62Å; K248-D382 PolarHBondContact NZ-OD1 3.19Å; H343-D382 PolarHBondContact CE1-O 3.42Å; H343-D382 VanDerWaalsContact CE1-O 3.23Å; N350-D382 PolarHBondContact ND2-OD2 3Å; D382-G384 PolarHBondContact O-N 3.36Å
383	F	94.9	Very high	95.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-77.4	3.7	177.6	-65.4	-72.4	0	0	0	114.5	V266 L267 I270 C281 I282 L336 H343 L380 S385 A386	V266-F383 HydrophobicContact CG1-CB 3.77Å; V266-F383 HydrophobicContact CG1-CD1 4.36Å; V266-F383 HydrophobicContact CG1-CG 4.2Å; L267-F383 HydrophobicContact CD2-CD2 3.73Å; L267-F383 HydrophobicContact CD2-CE2 4.39Å; I270-F383 HydrophobicContact CD1-CD1 3.73Å; I270-F383 HydrophobicContact CD1-CD2 3.97Å; I270-F383 HydrophobicContact CD1-CE1 3.66Å; I270-F383 HydrophobicContact CD1-CE2 3.88Å; I270-F383 HydrophobicContact CD1-CG 3.9Å; I270-F383 HydrophobicContact CD1-CZ 3.76Å; C281-F383 HydrophobicContact CB-CE2 4.07Å; C281-F383 HydrophobicContact CB-CZ 3.67Å; I282-F383 HydrophobicContact CG2-CD2 4.44Å; I282-F383 HydrophobicContact CG2-CE2 4.04Å; L336-F383 HydrophobicContact CD1-CE1 3.92Å; L336-F383 HydrophobicContact CD2-CE1 3.88Å; H343-F383 AromaticContact CD2-CE1 3.76Å; L380-F383 HydrophobicContact CG-CZ 4.26Å; F383-S385 PolarHBondContact O-N 2.57Å; F383-A386 HydrophobicContact CB-CB 4.31Å; F383-A386 HydrophobicContact CD1-CB 4.27Å; F383-A386 VanDerWaalsContact O-CB 3.29Å; F383-A386 WeakPolarHBondContact O-CB 3.36Å; F383-A386 PolarHBondContact O-N 2.84Å
384	G	91.2	Very high	95.1	Very high	21 Å²	21	48.1 Å²	48.1	22%	0.216	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-64	-9.5	-178.2	0	0	0	0	0	115.7	D382	D382-G384 PolarHBondContact O-N 3.36Å
385	S	92.7	Very high	94.9	Very high	31 Å²	31	44.9 Å²	44.9	22%	0.217	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-114.8	4.3	169.9	-58.2	0	0	0	0	113.7	H343 T344 F383 T387	H343-S385 CarbonylContact O-C 3.57Å; T344-S385 WeakPolarHBondContact CG2-O 3.5Å; T344-S385 PolarHBondContact OG1-O 3.03Å; F383-S385 PolarHBondContact O-N 2.57Å; S385-T387 PolarHBondContact O-OG1 2.81Å
386	A	96.4	Very high	94.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.245	C	C	.	.			trans	-64.4	150.8	176.9	0	0	0	0	0	110.1	H262 V266 L341 T342 F383	H262-A386 PolarHBondContact NE2-O 2.82Å; V266-A386 HydrophobicContact CG1-CB 4.13Å; L341-A386 HydrophobicContact CD1-CB 3.81Å; L341-A386 HydrophobicContact CG-CB 4.32Å; T342-A386 CarbonylContact O-C 3.52Å; T342-A386 WeakPolarHBondContact O-CA 3.47Å; T342-A386 WeakPolarHBondContact O-CB 3.4Å; F383-A386 HydrophobicContact CB-CB 4.31Å; F383-A386 HydrophobicContact CD1-CB 4.27Å; F383-A386 VanDerWaalsContact O-CB 3.29Å; F383-A386 WeakPolarHBondContact O-CB 3.36Å; F383-A386 PolarHBondContact O-N 2.84Å
387	T	96.9	Very high	94.7	Very high	15 Å²	15	44.6 Å²	44.6	9%	0.092	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	129.6	-172.5	-52.1	0	0	0	0	109.6	T342 S385 D391 W413	T342-T387 PolarHBondContact N-O 3.28Å; T342-T387 PolarHBondContact O-N 3.13Å; S385-T387 PolarHBondContact O-OG1 2.81Å; T387-D391 HydrophobicContact CG2-CB 3.69Å; T387-W413 HydrophobicContact CG2-CH2 3.99Å
388	F	96.6	Very high	94.6	Very high	25 Å²	25	43.3 Å²	43.3	11%	0.11	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	151.4	173.8	-66.1	-80.1	0	0	0	110.7	V266 T269 K340 L341 E390 D391 H393	V266-F388 HydrophobicContact CG2-CE2 3.82Å; V266-F388 HydrophobicContact CG2-CZ 4.23Å; T269-F388 HydrophobicContact CG2-CE1 4.08Å; T269-F388 HydrophobicContact CG2-CZ 3.94Å; K340-F388 CarbonylContact O-C 3.6Å; K340-F388 VanDerWaalsContact O-CA 3.25Å; K340-F388 WeakPolarHBondContact O-CA 3.43Å; L341-F388 HydrophobicContact CB-CD1 4.13Å; L341-F388 HydrophobicContact CB-CE1 4.15Å; L341-F388 HydrophobicContact CD1-CD1 3.89Å; L341-F388 HydrophobicContact CD1-CD2 4.3Å; L341-F388 HydrophobicContact CD1-CE1 3.91Å; L341-F388 HydrophobicContact CD1-CE2 4.31Å; L341-F388 HydrophobicContact CD1-CG 4.09Å; L341-F388 HydrophobicContact CD1-CZ 4.12Å; L341-F388 HydrophobicContact CD2-CE1 4.28Å; L341-F388 HydrophobicContact CD2-CZ 4.5Å; L341-F388 HydrophobicContact CG-CE1 4.35Å; F388-E390 HydrophobicContact CB-CG 4.31Å; F388-E390 PolarHBondContact O-N 3.05Å; F388-D391 WeakPolarHBondContact CB-OD2 3.38Å; F388-D391 WeakPolarHBondContact CD2-OD2 3.34Å; F388-D391 PolarHBondContact N-OD2 3.18Å; F388-D391 WeakPolarHBondContact O-CB 3.45Å; F388-D391 PolarHBondContact O-N 3.17Å; F388-H393 PolarHBondContact O-CE1 3.33Å
389	D	95.1	Very high	94.5	Very high	53 Å²	53	45.2 Å²	45.2	28%	0.283	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-19.7	179.8	-73.2	-8.6	0	0	0	112.6	K340 R415	K340-D389 HydrophobicContact CB-CB 4.04Å; K340-D389 PolarHBondContact O-N 3.21Å; D389-R415 IonicContact OD1-NE 3.2Å; D389-R415 PolarHBondContact OD1-NE 3.22Å; D389-R415 IonicContact OD2-CZ 3.24Å; D389-R415 VanDerWaalsContact OD2-CZ 3.29Å; D389-R415 IonicContact OD2-NE 3.48Å; D389-R415 PolarHBondContact OD2-NE 3.03Å; D389-R415 IonicContact OD2-NH2 3.99Å; D389-R415 PolarHBondContact OD2-NH2 3.12Å; D389-R415 VanDerWaalsContact OD2-NH2 3.16Å
390	E	93	Very high	94.4	Very high	165 Å²	165	47.2 Å²	47.2	77%	0.771	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-9.4	178.6	63.2	-163.7	179.7	0	0	115.1	F388	F388-E390 HydrophobicContact CB-CG 4.31Å; F388-E390 PolarHBondContact O-N 3.05Å
391	D	92.3	Very high	94.3	Very high	61 Å²	61	48.2 Å²	48.2	33%	0.326	26%	0.257	S	S	.	.	S	Bend	trans	-80.3	171.8	-178.4	-72.6	-28.6	0	0	0	113.5	H262 T387 F388 H393	H262-D391 IonicContact CE1-OD2 2.72Å; T387-D391 HydrophobicContact CG2-CB 3.69Å; F388-D391 WeakPolarHBondContact CB-OD2 3.38Å; F388-D391 WeakPolarHBondContact CD2-OD2 3.34Å; F388-D391 PolarHBondContact N-OD2 3.18Å; F388-D391 WeakPolarHBondContact O-CB 3.45Å; F388-D391 PolarHBondContact O-N 3.17Å; D391-H393 PolarHBondContact O-N 2.89Å; D391-H393 VanDerWaalsContact O-N 3.13Å; D391-H393 PolarHBondContact O-ND1 3.19Å
392	H	89.7	Confident	94.4	Very high	155 Å²	155	46.8 Å²	46.8	72%	0.718	25%	0.25	S	C	*	.			trans	-64.9	111.8	170	179.2	73.1	0	0	0	112.5	S394	H392-S394 PolarHBondContact O-N 2.91Å
393	H	90.4	Very high	94.6	Very high	61 Å²	61	46.7 Å²	46.7	28%	0.282	25%	0.247	S	C	.	.			trans	-78.1	102.1	176.7	-72.6	52.7	0	0	0	111.8	F388 D391 W413	F388-H393 PolarHBondContact O-CE1 3.33Å; D391-H393 PolarHBondContact O-N 2.89Å; D391-H393 VanDerWaalsContact O-N 3.13Å; D391-H393 PolarHBondContact O-ND1 3.19Å; H393-W413 HydrophobicContact CB-CH2 4.34Å; H393-W413 HydrophobicContact CB-CZ2 3.8Å; H393-W413 AromaticContact CD2-CE2 3.94Å; H393-W413 AromaticContact CD2-CE3 3.84Å; H393-W413 AromaticContact CD2-CH2 3.44Å; H393-W413 VanDerWaalsContact CD2-CH2 3.44Å; H393-W413 WeakPolarHBondContact CD2-CH2 3.47Å; H393-W413 AromaticContact CD2-CZ2 3.67Å; H393-W413 AromaticContact CD2-CZ3 3.52Å; H393-W413 AromaticContact CG-CH2 3.96Å; H393-W413 AromaticContact CG-CZ2 3.93Å; H393-W413 AromaticContact NE2-CH2 3.99Å; H393-W413 AromaticContact NE2-CZ3 3.86Å
394	S	91.6	Very high	94.8	Very high	61 Å²	61	46.7 Å²	46.7	43%	0.427	25%	0.247	S	C	.	.			trans	-56.5	134.9	175.6	-80.4	0	0	0	0	112.4	H392 T396 W413	H392-S394 PolarHBondContact O-N 2.91Å; S394-T396 PolarHBondContact O-N 3.09Å; S394-T396 VanDerWaalsContact O-N 3.15Å; S394-W413 PolarHBondContact O-NE1 2.94Å
395	T	92.9	Very high	95.1	Very high	77 Å²	77	45.7 Å²	45.7	47%	0.472	24%	0.237	S	C	.	.	S	Bend	trans	-62.8	-27.4	-174.3	-60	0	0	0	0	113.6	E410	T395-E410 HydrophobicContact CG2-CB 4.39Å; T395-E410 HydrophobicContact CG2-CG 3.81Å
396	T	93.3	Very high	95.4	Very high	69 Å²	69	44.3 Å²	44.3	42%	0.423	23%	0.227	S	C	.	.	S	Bend	trans	-130.8	105.5	179.6	-65.6	0	0	0	0	109.7	S394 R403	S394-T396 PolarHBondContact O-N 3.09Å; S394-T396 VanDerWaalsContact O-N 3.15Å; T396-R403 VanDerWaalsContact CG2-CZ 3.44Å; T396-R403 VanDerWaalsContact CG2-NH2 3.31Å
397	I	95.6	Very high	95.5	Very high	14 Å²	14	44.4 Å²	44.4	7%	0.072	23%	0.227	C	C	.	.			trans	-104	-176.7	169.1	58.6	162.4	0	0	0	110.7	T344 R403 V407 W413 A417	T344-I397 HydrophobicContact CG2-CD1 4.25Å; T344-I397 HydrophobicContact CG2-CG2 4.33Å; I397-R403 PolarHBondContact O-NE 3.27Å; I397-R403 PolarHBondContact O-NH2 2.71Å; I397-V407 HydrophobicContact CD1-CG2 4.05Å; I397-V407 HydrophobicContact CG1-CB 4.49Å; I397-V407 HydrophobicContact CG1-CG1 3.83Å; I397-V407 HydrophobicContact CG1-CG2 3.79Å; I397-W413 HydrophobicContact CD1-CB 4.46Å; I397-W413 HydrophobicContact CD1-CD2 3.47Å; I397-W413 VanDerWaalsContact CD1-CD2 3.47Å; I397-W413 HydrophobicContact CD1-CE3 3.76Å; I397-W413 HydrophobicContact CD1-CG 3.79Å; I397-W413 HydrophobicContact CD1-CH2 4.45Å; I397-W413 HydrophobicContact CD1-CZ2 4.2Å; I397-W413 HydrophobicContact CD1-CZ3 4.25Å; I397-W413 HydrophobicContact CG1-CD2 4.21Å; I397-W413 HydrophobicContact CG1-CG 4.26Å; I397-W413 HydrophobicContact CG2-CH2 4.35Å; I397-W413 HydrophobicContact CG2-CZ2 3.6Å; I397-A417 HydrophobicContact CD1-CB 4.21Å
398	Q	96.9	Very high	95.5	Very high	9 Å²	9	43.8 Å²	43.8	4%	0.042	22%	0.223	C	C	.	.	S	Bend	trans	61.9	135.9	173.6	-59.8	165.5	-52.2	0	0	115.7	T344 R400 Y402 R403 A417 S421	T344-Q398 WeakPolarHBondContact O-CA 3.21Å; T344-Q398 WeakPolarHBondContact O-CG 3.45Å; T344-Q398 PolarHBondContact O-N 2.89Å; Q398-R400 PolarHBondContact O-N 3.39Å; Q398-Y402 PolarHBondContact NE2-O 3.1Å; Q398-R403 HydrophobicContact CB-CB 3.9Å; Q398-R403 HydrophobicContact CB-CG 4.1Å; Q398-R403 PolarHBondContact O-NE 3.14Å; Q398-R403 PolarHBondContact O-NH2 2.84Å; Q398-R403 VanDerWaalsContact OE1-CA 3.32Å; Q398-A417 PolarHBondContact NE2-O 3.39Å; Q398-S421 PolarHBondContact NE2-OG 3.43Å
399	T	95.3	Very high	95.5	Very high	41 Å²	41	42.6 Å²	42.6	25%	0.252	22%	0.218	S	C	.	.			trans	-55.9	130.8	162.8	-68.1	0	0	0	0	109.5	D345 K347 H401 Y402 R403	D345-T399 VanDerWaalsContact OD1-CB 3.25Å; D345-T399 WeakPolarHBondContact OD1-CB 3.43Å; D345-T399 PolarHBondContact OD1-N 3.13Å; D345-T399 PolarHBondContact OD1-OG1 3.16Å; K347-T399 HydrophobicContact CD-CG2 4.31Å; K347-T399 WeakPolarHBondContact CD-OG1 3.39Å; T399-H401 VanDerWaalsContact C-N 3.27Å; T399-H401 PolarHBondContact O-N 2.84Å; T399-Y402 HydrophobicContact CG2-CD2 4.04Å; T399-Y402 HydrophobicContact CG2-CE2 4.03Å; T399-Y402 PolarHBondContact O-N 3.47Å; T399-R403 PolarHBondContact O-N 3.17Å
400	R	97.1	Very high	95.6	Very high	66 Å²	66	41.5 Å²	41.5	25%	0.249	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-44.8	-44	-163.7	174.3	-179.3	-70.5	-74.6	-4.7	115	Q398 Y402 R403 T438 H439 D440 N441 H444	Q398-R400 PolarHBondContact O-N 3.39Å; R400-Y402 VanDerWaalsContact C-N 3.27Å; R400-Y402 PolarHBondContact O-N 3.18Å; R400-R403 WeakPolarHBondContact O-CB 3.25Å; R400-R403 PolarHBondContact O-N 3.39Å; R400-T438 WeakPolarHBondContact CD-O 3.43Å; R400-H439 PolarHBondContact NE-O 2.89Å; R400-H439 PolarHBondContact NH2-O 3.26Å; R400-D440 PolarHBondContact NH1-O 3.37Å; R400-N441 PolarHBondContact NH1-OD1 3.14Å; R400-N441 PolarHBondContact NH2-OD1 3.03Å; R400-H444 PolarHBondContact O-CE1 2.73Å; R400-H444 PolarHBondContact O-ND1 2.9Å
401	H	97.5	Very high	95.7	Very high	22 Å²	22	36.3 Å²	36.3	10%	0.102	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-72.2	-19.6	-172.3	-43.2	134.4	0	0	0	113.6	T399 F436 T438	T399-H401 VanDerWaalsContact C-N 3.27Å; T399-H401 PolarHBondContact O-N 2.84Å; H401-F436 PolarHBondContact CD2-O 3.49Å; H401-F436 VanDerWaalsContact CD2-O 3.26Å; H401-T438 PolarHBondContact CD2-O 3.05Å; H401-T438 PolarHBondContact NE2-O 3.25Å
402	Y	98.5	Very high	95.9	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.016	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-109.6	9.3	179.9	-41.8	-76.2	0	0	0	111.8	K347 P348 Q398 T399 R400 S421 C424 I425 E428	K347-Y402 HydrophobicContact CB-CD2 3.52Å; K347-Y402 HydrophobicContact CB-CE2 3.34Å; K347-Y402 HydrophobicContact CB-CG 4.31Å; P348-Y402 WeakPolarHBondContact CD-OH 3.4Å; P348-Y402 HydrophobicContact CG-CE1 4.27Å; Q398-Y402 PolarHBondContact NE2-O 3.1Å; T399-Y402 HydrophobicContact CG2-CD2 4.04Å; T399-Y402 HydrophobicContact CG2-CE2 4.03Å; T399-Y402 PolarHBondContact O-N 3.47Å; R400-Y402 VanDerWaalsContact C-N 3.27Å; R400-Y402 PolarHBondContact O-N 3.18Å; Y402-S421 PolarHBondContact O-OG 3.07Å; Y402-C424 HydrophobicContact CD1-CB 3.82Å; Y402-I425 HydrophobicContact CD1-CG1 4.19Å; Y402-I425 HydrophobicContact CE1-CG1 4.39Å; Y402-E428 PolarHBondContact OH-OE2 2.87Å
403	R	98.5	Very high	96.3	Very high	30 Å²	30	29.4 Å²	29.4	11%	0.113	17%	0.166	C	C	.	.			trans	-79.5	130.5	-172.3	-176	-179.3	-68	165.3	1.3	112.4	T396 I397 Q398 T399 R400 V407 V408 W420 H444 M448	T396-R403 VanDerWaalsContact CG2-CZ 3.44Å; T396-R403 VanDerWaalsContact CG2-NH2 3.31Å; I397-R403 PolarHBondContact O-NE 3.27Å; I397-R403 PolarHBondContact O-NH2 2.71Å; Q398-R403 HydrophobicContact CB-CB 3.9Å; Q398-R403 HydrophobicContact CB-CG 4.1Å; Q398-R403 PolarHBondContact O-NE 3.14Å; Q398-R403 PolarHBondContact O-NH2 2.84Å; Q398-R403 VanDerWaalsContact OE1-CA 3.32Å; T399-R403 PolarHBondContact O-N 3.17Å; R400-R403 WeakPolarHBondContact O-CB 3.25Å; R400-R403 PolarHBondContact O-N 3.39Å; R403-V407 HydrophobicContact CG-CB 3.76Å; R403-V407 HydrophobicContact CG-CG1 3.79Å; R403-V408 HydrophobicContact CB-CG2 4.38Å; R403-V408 HydrophobicContact CG-CG2 3.86Å; R403-W420 PolarHBondContact O-NE1 3.37Å; R403-H444 PolarHBondContact O-CE1 3.33Å; R403-M448 WeakPolarHBondContact O-CE 3.39Å
404	A	98.6	Very high	96.5	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.			trans	-71	150.2	-177.3	0	0	0	0	0	113.2	E406 V407 V408 A417 W420	A404-E406 VanDerWaalsContact C-N 3.3Å; A404-E406 VanDerWaalsContact CB-CD 3.45Å; A404-E406 HydrophobicContact CB-CG 4.41Å; A404-E406 WeakPolarHBondContact CB-OE1 3.31Å; A404-E406 PolarHBondContact O-N 3.11Å; A404-V407 HydrophobicContact CB-CG2 4.32Å; A404-V407 WeakPolarHBondContact O-CB 3.06Å; A404-V407 PolarHBondContact O-N 3.18Å; A404-V408 WeakPolarHBondContact O-CG2 3.44Å; A404-V408 PolarHBondContact O-N 2.82Å; A404-A417 HydrophobicContact CB-CB 4.15Å; A404-W420 HydrophobicContact CB-CB 3.79Å; A404-W420 HydrophobicContact CB-CD2 4.37Å; A404-W420 HydrophobicContact CB-CG 3.78Å
405	P	98.4	Very high	96.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.3	-37.9	-175.4	20.4	-31.5	0	0	0	112.7	V407 V408 M409 W420 M448 M459 Y518	P405-V407 VanDerWaalsContact C-N 3.32Å; P405-V407 PolarHBondContact O-N 3.06Å; P405-V408 PolarHBondContact O-N 3.28Å; P405-M409 HydrophobicContact CB-CE 3.76Å; P405-M409 VanDerWaalsContact O-CB 3.32Å; P405-M409 WeakPolarHBondContact O-CB 3.43Å; P405-M409 VanDerWaalsContact O-CE 3.3Å; P405-M409 WeakPolarHBondContact O-CE 3.27Å; P405-M409 WeakPolarHBondContact O-CG 3.36Å; P405-M409 PolarHBondContact O-N 2.9Å; P405-W420 VanDerWaalsContact CD-CD2 3.42Å; P405-W420 VanDerWaalsContact CD-CE3 3.41Å; P405-W420 HydrophobicContact CG-CD2 4.41Å; P405-W420 HydrophobicContact CG-CE3 3.93Å; P405-W420 HydrophobicContact CG-CH2 3.89Å; P405-W420 HydrophobicContact CG-CZ2 4.38Å; P405-W420 HydrophobicContact CG-CZ3 3.64Å; P405-M448 HydrophobicContact CB-CE 4.43Å; P405-M448 HydrophobicContact CB-SD 3.83Å; P405-M459 HydrophobicContact CB-CE 4.38Å; P405-M459 HydrophobicContact CG-CE 4.42Å; P405-Y518 HydrophobicContact CB-CD1 4.02Å; P405-Y518 HydrophobicContact CB-CE1 4.42Å; P405-Y518 HydrophobicContact CG-CD1 3.88Å
406	E	98.3	Very high	97	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.009	15%	0.15	C	C	.	.	H	α-helix	trans	-61.8	-36	175.6	63.8	-82.4	-169	0	0	113	A404 E410 L411 W413 M459 P520 R523	A404-E406 VanDerWaalsContact C-N 3.3Å; A404-E406 VanDerWaalsContact CB-CD 3.45Å; A404-E406 HydrophobicContact CB-CG 4.41Å; A404-E406 WeakPolarHBondContact CB-OE1 3.31Å; A404-E406 PolarHBondContact O-N 3.11Å; E406-E410 WeakPolarHBondContact O-CA 3.17Å; E406-E410 PolarHBondContact O-N 3.04Å; E406-L411 HydrophobicContact CB-CB 4.17Å; E406-L411 HydrophobicContact CB-CD1 4.31Å; E406-L411 PolarHBondContact O-N 3.41Å; E406-W413 HydrophobicContact CG-CB 4.32Å; E406-M459 HydrophobicContact CB-CE 4.21Å; E406-P520 HydrophobicContact CB-CG 4.06Å; E406-P520 HydrophobicContact CG-CG 3.9Å; E406-R523 IonicContact OE1-CZ 3.01Å; E406-R523 IonicContact OE1-NH1 3.8Å; E406-R523 PolarHBondContact OE1-NH1 3.1Å; E406-R523 IonicContact OE1-NH2 3.29Å; E406-R523 PolarHBondContact OE1-NH2 2.9Å; E406-R523 IonicContact OE2-CZ 3.82Å; E406-R523 IonicContact OE2-NH1 3.83Å; E406-R523 IonicContact OE2-NH2 2.72Å; E406-R523 PolarHBondContact OE2-NH2 3.07Å
407	V	98.1	Very high	97.3	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.018	13%	0.13	C	C	.	.	H	α-helix	trans	-72.9	-42.2	173.7	-174.3	0	0	0	0	110.6	I397 R403 A404 P405 M409 E410 W413	I397-V407 HydrophobicContact CD1-CG2 4.05Å; I397-V407 HydrophobicContact CG1-CB 4.49Å; I397-V407 HydrophobicContact CG1-CG1 3.83Å; I397-V407 HydrophobicContact CG1-CG2 3.79Å; R403-V407 HydrophobicContact CG-CB 3.76Å; R403-V407 HydrophobicContact CG-CG1 3.79Å; A404-V407 HydrophobicContact CB-CG2 4.32Å; A404-V407 WeakPolarHBondContact O-CB 3.06Å; A404-V407 PolarHBondContact O-N 3.18Å; P405-V407 VanDerWaalsContact C-N 3.32Å; P405-V407 PolarHBondContact O-N 3.06Å; V407-M409 VanDerWaalsContact C-N 3.28Å; V407-M409 PolarHBondContact O-N 2.78Å; V407-E410 PolarHBondContact O-N 3.19Å; V407-W413 HydrophobicContact CG2-CB 3.71Å; V407-W413 HydrophobicContact CG2-CG 4.03Å
408	V	97.8	Very high	97.4	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-62.7	-35.3	176.9	-179.3	0	0	0	0	112	R403 A404 P405 N441 L445 M448	R403-V408 HydrophobicContact CB-CG2 4.38Å; R403-V408 HydrophobicContact CG-CG2 3.86Å; A404-V408 WeakPolarHBondContact O-CG2 3.44Å; A404-V408 PolarHBondContact O-N 2.82Å; P405-V408 PolarHBondContact O-N 3.28Å; V408-N441 HydrophobicContact CG1-CB 3.93Å; V408-L445 HydrophobicContact CB-CD2 4.27Å; V408-L445 HydrophobicContact CG1-CD1 4.08Å; V408-L445 HydrophobicContact CG1-CD2 3.92Å; V408-L445 HydrophobicContact CG1-CG 3.77Å; V408-M448 HydrophobicContact CG2-CE 4.27Å
409	M	97.1	Very high	97.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-89	-6.1	178.8	-74.7	-174.1	-80.9	0	0	114.6	P405 V407 L411 L445 L455 M459 S463 R464 F469	P405-M409 HydrophobicContact CB-CE 3.76Å; P405-M409 VanDerWaalsContact O-CB 3.32Å; P405-M409 WeakPolarHBondContact O-CB 3.43Å; P405-M409 VanDerWaalsContact O-CE 3.3Å; P405-M409 WeakPolarHBondContact O-CE 3.27Å; P405-M409 WeakPolarHBondContact O-CG 3.36Å; P405-M409 PolarHBondContact O-N 2.9Å; V407-M409 VanDerWaalsContact C-N 3.28Å; V407-M409 PolarHBondContact O-N 2.78Å; M409-L411 HydrophobicContact CB-CD1 4.08Å; M409-L411 HydrophobicContact CB-CD2 4.33Å; M409-L411 HydrophobicContact CB-CG 3.81Å; M409-L411 HydrophobicContact CE-CD1 4.17Å; M409-L411 HydrophobicContact SD-CD1 4.46Å; M409-L445 HydrophobicContact CG-CD1 4.26Å; M409-L445 HydrophobicContact CG-CD2 4.18Å; M409-L455 HydrophobicContact CE-CD2 3.97Å; M409-M459 HydrophobicContact CE-CB 3.94Å; M409-M459 HydrophobicContact CE-CE 3.61Å; M409-M459 HydrophobicContact CE-SD 4.13Å; M409-M459 HydrophobicContact SD-CB 4.13Å; M409-S463 WeakPolarHBondContact CB-OG 3.47Å; M409-S463 PolarHBondContact O-OG 2.69Å; M409-R464 PolarHBondContact O-N 3.31Å; M409-F469 HydrophobicContact CG-CE2 4.11Å; M409-F469 HydrophobicContact CG-CZ 3.89Å; M409-F469 HydrophobicContact SD-CE2 4.13Å; M409-F469 HydrophobicContact SD-CZ 3.59Å; M409-F469 VanDerWaalsContact SD-CZ 3.59Å
410	E	96.8	Very high	97.7	Very high	31 Å²	31	22.4 Å²	22.4	15%	0.145	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	51.8	-177	-61.8	175.8	169.1	0	0	113.5	T395 E406 V407 R464 R465	T395-E410 HydrophobicContact CG2-CB 4.39Å; T395-E410 HydrophobicContact CG2-CG 3.81Å; E406-E410 WeakPolarHBondContact O-CA 3.17Å; E406-E410 PolarHBondContact O-N 3.04Å; V407-E410 PolarHBondContact O-N 3.19Å; E410-R464 HydrophobicContact CB-CB 4.05Å; E410-R464 HydrophobicContact CB-CG 4.36Å; E410-R464 VanDerWaalsContact O-CD 3.27Å; E410-R464 WeakPolarHBondContact O-CD 3.2Å; E410-R464 WeakPolarHBondContact O-CG 3.34Å; E410-R465 HydrophobicContact CG-CG 4.28Å; E410-R465 IonicContact OE1-CZ 3.26Å; E410-R465 IonicContact OE1-NE 3.09Å; E410-R465 PolarHBondContact OE1-NE 2.99Å; E410-R465 IonicContact OE1-NH2 2.66Å; E410-R465 PolarHBondContact OE1-NH2 3.49Å; E410-R465 IonicContact OE2-CZ 2.88Å; E410-R465 IonicContact OE2-NE 3.84Å; E410-R465 PolarHBondContact OE2-NE 3.37Å; E410-R465 VanDerWaalsContact OE2-NE 3.12Å
411	L	96.2	Very high	97.8	Very high	55 Å²	55	19.2 Å²	19.2	29%	0.288	10%	0.101	S	C	.	.	S	Bend	trans	-88.9	-3.5	179.4	-59.7	-179.1	0	0	0	113.6	E406 M409 M459 V462	E406-L411 HydrophobicContact CB-CB 4.17Å; E406-L411 HydrophobicContact CB-CD1 4.31Å; E406-L411 PolarHBondContact O-N 3.41Å; M409-L411 HydrophobicContact CB-CD1 4.08Å; M409-L411 HydrophobicContact CB-CD2 4.33Å; M409-L411 HydrophobicContact CB-CG 3.81Å; M409-L411 HydrophobicContact CE-CD1 4.17Å; M409-L411 HydrophobicContact SD-CD1 4.46Å; L411-M459 HydrophobicContact CD1-CB 3.77Å; L411-M459 HydrophobicContact CD1-CE 3.75Å; L411-M459 HydrophobicContact CD1-CG 3.98Å; L411-V462 HydrophobicContact CD2-CG2 3.78Å
412	G	95.3	Very high	97.8	Very high	45 Å²	45	18.2 Å²	18.2	46%	0.464	10%	0.096	S	C	.	.			trans	89.5	167.1	-152.9	0	0	0	0	0	110
413	W	97.4	Very high	97.8	Very high	27 Å²	27	18 Å²	18	10%	0.102	10%	0.096	C	C	.	.			trans	-151	160.9	176.4	56.2	-98.2	0	0	0	108.9	T342 T344 T387 H393 S394 I397 E406 V407 A417	T342-W413 HydrophobicContact CG2-CE3 4.44Å; T342-W413 HydrophobicContact CG2-CZ3 4.01Å; T344-W413 HydrophobicContact CG2-CH2 3.79Å; T344-W413 HydrophobicContact CG2-CZ3 3.98Å; T387-W413 HydrophobicContact CG2-CH2 3.99Å; H393-W413 HydrophobicContact CB-CH2 4.34Å; H393-W413 HydrophobicContact CB-CZ2 3.8Å; H393-W413 AromaticContact CD2-CE2 3.94Å; H393-W413 AromaticContact CD2-CE3 3.84Å; H393-W413 AromaticContact CD2-CH2 3.44Å; H393-W413 VanDerWaalsContact CD2-CH2 3.44Å; H393-W413 WeakPolarHBondContact CD2-CH2 3.47Å; H393-W413 AromaticContact CD2-CZ2 3.67Å; H393-W413 AromaticContact CD2-CZ3 3.52Å; H393-W413 AromaticContact CG-CH2 3.96Å; H393-W413 AromaticContact CG-CZ2 3.93Å; H393-W413 AromaticContact NE2-CH2 3.99Å; H393-W413 AromaticContact NE2-CZ3 3.86Å; S394-W413 PolarHBondContact O-NE1 2.94Å; I397-W413 HydrophobicContact CD1-CB 4.46Å; I397-W413 HydrophobicContact CD1-CD2 3.47Å; I397-W413 VanDerWaalsContact CD1-CD2 3.47Å; I397-W413 HydrophobicContact CD1-CE3 3.76Å; I397-W413 HydrophobicContact CD1-CG 3.79Å; I397-W413 HydrophobicContact CD1-CH2 4.45Å; I397-W413 HydrophobicContact CD1-CZ2 4.2Å; I397-W413 HydrophobicContact CD1-CZ3 4.25Å; I397-W413 HydrophobicContact CG1-CD2 4.21Å; I397-W413 HydrophobicContact CG1-CG 4.26Å; I397-W413 HydrophobicContact CG2-CH2 4.35Å; I397-W413 HydrophobicContact CG2-CZ2 3.6Å; E406-W413 HydrophobicContact CG-CB 4.32Å; V407-W413 HydrophobicContact CG2-CB 3.71Å; V407-W413 HydrophobicContact CG2-CG 4.03Å; W413-A417 HydrophobicContact CB-CB 4.37Å
414	D	94.9	Very high	97.8	Very high	72 Å²	72	16.6 Å²	16.6	39%	0.385	9%	0.091	S	C	.	.			trans	-141.4	-169.3	175.2	63.7	20.5	0	0	0	109.3	S416 A417	D414-S416 PolarHBondContact O-N 2.92Å; D414-S416 WeakPolarHBondContact OD1-CB 3.26Å; D414-S416 PolarHBondContact OD1-N 3.42Å; D414-S416 PolarHBondContact OD1-OG 3.49Å; D414-A417 VanDerWaalsContact O-CB 3.31Å; D414-A417 WeakPolarHBondContact O-CB 3.22Å; D414-A417 PolarHBondContact O-N 3.06Å
415	R	97.4	Very high	97.9	Very high	94 Å²	94	16.6 Å²	16.6	36%	0.355	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.6	-31.1	175	-75.2	174.2	-84.1	154.6	7	114.4	H337 T342 D389 A417 D418	H337-R415 HydrophobicContact CB-CG 4.36Å; H337-R415 PolarHBondContact CE1-O 3.09Å; H337-R415 PolarHBondContact NE2-O 3.04Å; H337-R415 WeakPolarHBondContact O-CD 3.29Å; H337-R415 PolarHBondContact O-NH1 3.48Å; T342-R415 WeakPolarHBondContact OG1-CG 3.36Å; D389-R415 IonicContact OD1-NE 3.2Å; D389-R415 PolarHBondContact OD1-NE 3.22Å; D389-R415 IonicContact OD2-CZ 3.24Å; D389-R415 VanDerWaalsContact OD2-CZ 3.29Å; D389-R415 IonicContact OD2-NE 3.48Å; D389-R415 PolarHBondContact OD2-NE 3.03Å; D389-R415 IonicContact OD2-NH2 3.99Å; D389-R415 PolarHBondContact OD2-NH2 3.12Å; D389-R415 VanDerWaalsContact OD2-NH2 3.16Å; R415-A417 PolarHBondContact O-N 2.88Å; R415-D418 PolarHBondContact O-N 2.98Å
416	S	98.1	Very high	97.9	Very high	16 Å²	16	16.6 Å²	16.6	11%	0.112	9%	0.091	C	C	.	.	H	α-helix	trans	-64.9	-19.6	179.5	73.7	0	0	0	0	113.7	D414 D418 V419 W420 P520 R523	D414-S416 PolarHBondContact O-N 2.92Å; D414-S416 WeakPolarHBondContact OD1-CB 3.26Å; D414-S416 PolarHBondContact OD1-N 3.42Å; D414-S416 PolarHBondContact OD1-OG 3.49Å; S416-D418 VanDerWaalsContact C-N 3.28Å; S416-D418 PolarHBondContact O-N 3.43Å; S416-V419 WeakPolarHBondContact O-CB 3.4Å; S416-V419 PolarHBondContact O-N 3.33Å; S416-V419 VanDerWaalsContact O-N 3.08Å; S416-W420 PolarHBondContact O-N 3.29Å; S416-P520 WeakPolarHBondContact OG-CB 3.05Å; S416-R523 VanDerWaalsContact C-NH1 3.29Å; S416-R523 WeakPolarHBondContact O-CD 3.37Å; S416-R523 PolarHBondContact O-NH1 2.84Å; S416-R523 PolarHBondContact OG-NH1 3.09Å
417	A	98.6	Very high	97.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.8	-38.7	177	0	0	0	0	0	111.5	I397 Q398 A404 W413 D414 R415 V419 W420 S421	I397-A417 HydrophobicContact CD1-CB 4.21Å; Q398-A417 PolarHBondContact NE2-O 3.39Å; A404-A417 HydrophobicContact CB-CB 4.15Å; W413-A417 HydrophobicContact CB-CB 4.37Å; D414-A417 VanDerWaalsContact O-CB 3.31Å; D414-A417 WeakPolarHBondContact O-CB 3.22Å; D414-A417 PolarHBondContact O-N 3.06Å; R415-A417 PolarHBondContact O-N 2.88Å; A417-V419 VanDerWaalsContact C-N 3.29Å; A417-V419 PolarHBondContact O-N 3.37Å; A417-W420 WeakPolarHBondContact O-CB 3.47Å; A417-W420 PolarHBondContact O-N 3.36Å; A417-S421 PolarHBondContact O-N 2.98Å
418	D	98.8	Very high	97.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.3	-40	173.7	-75.7	-19.6	0	0	0	111.3	V333 H337 T342 H343 T344 L346 R415 S416 W420 S421 I422	V333-D418 HydrophobicContact CG1-CB 3.88Å; H337-D418 IonicContact CD2-OD2 3.04Å; H337-D418 IonicContact CE1-OD2 3.53Å; H337-D418 IonicContact NE2-OD2 2.72Å; H337-D418 PolarHBondContact NE2-OD2 3.1Å; T342-D418 VanDerWaalsContact CG2-OD2 3.3Å; T342-D418 WeakPolarHBondContact CG2-OD2 3.48Å; H343-D418 PolarHBondContact N-OD2 2.85Å; T344-D418 PolarHBondContact N-OD1 2.91Å; L346-D418 HydrophobicContact CD1-CB 3.59Å; L346-D418 HydrophobicContact CG-CB 4.46Å; R415-D418 PolarHBondContact O-N 2.98Å; S416-D418 VanDerWaalsContact C-N 3.28Å; S416-D418 PolarHBondContact O-N 3.43Å; D418-W420 VanDerWaalsContact C-N 3.31Å; D418-W420 PolarHBondContact O-N 3.43Å; D418-S421 WeakPolarHBondContact O-CA 3.38Å; D418-S421 WeakPolarHBondContact O-CB 2.94Å; D418-S421 PolarHBondContact O-N 2.72Å; D418-I422 WeakPolarHBondContact O-CG1 3.27Å; D418-I422 PolarHBondContact O-N 3.45Å
419	V	98.9	Very high	97.9	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.012	9%	0.091	C	C	.	.	H	α-helix	trans	-64.3	-37.4	-179.6	-172	0	0	0	0	111.7	S416 A417 S421 I422 G423 M515 R523 I524	S416-V419 WeakPolarHBondContact O-CB 3.4Å; S416-V419 PolarHBondContact O-N 3.33Å; S416-V419 VanDerWaalsContact O-N 3.08Å; A417-V419 VanDerWaalsContact C-N 3.29Å; A417-V419 PolarHBondContact O-N 3.37Å; V419-S421 VanDerWaalsContact C-N 3.31Å; V419-S421 PolarHBondContact O-N 2.72Å; V419-I422 PolarHBondContact O-N 3.42Å; V419-G423 PolarHBondContact O-N 3.01Å; V419-M515 HydrophobicContact CG1-CB 4.04Å; V419-M515 HydrophobicContact CG1-CG 3.72Å; V419-R523 HydrophobicContact CB-CG 4.48Å; V419-R523 HydrophobicContact CG1-CG 4.35Å; V419-I524 HydrophobicContact CG1-CG2 4Å; V419-I524 WeakPolarHBondContact CG1-O 3.38Å
420	W	98.9	Very high	97.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.2	-43	172.4	178.5	-78.3	0	0	0	111.3	R403 A404 P405 S416 A417 D418 I422 G423 C424 F436 M448 L452 L516 Y518	R403-W420 PolarHBondContact O-NE1 3.37Å; A404-W420 HydrophobicContact CB-CB 3.79Å; A404-W420 HydrophobicContact CB-CD2 4.37Å; A404-W420 HydrophobicContact CB-CG 3.78Å; P405-W420 VanDerWaalsContact CD-CD2 3.42Å; P405-W420 VanDerWaalsContact CD-CE3 3.41Å; P405-W420 HydrophobicContact CG-CD2 4.41Å; P405-W420 HydrophobicContact CG-CE3 3.93Å; P405-W420 HydrophobicContact CG-CH2 3.89Å; P405-W420 HydrophobicContact CG-CZ2 4.38Å; P405-W420 HydrophobicContact CG-CZ3 3.64Å; S416-W420 PolarHBondContact O-N 3.29Å; A417-W420 WeakPolarHBondContact O-CB 3.47Å; A417-W420 PolarHBondContact O-N 3.36Å; D418-W420 VanDerWaalsContact C-N 3.31Å; D418-W420 PolarHBondContact O-N 3.43Å; W420-I422 VanDerWaalsContact C-N 3.33Å; W420-I422 PolarHBondContact O-N 3.2Å; W420-G423 PolarHBondContact O-N 2.95Å; W420-C424 PolarHBondContact O-N 2.61Å; W420-F436 AromaticContact CZ2-CE2 3.84Å; W420-F436 HydrophobicContact CZ2-CE2 3.84Å; W420-F436 HydrophobicContact CZ2-CZ 4.22Å; W420-M448 HydrophobicContact CH2-CE 4.48Å; W420-M448 HydrophobicContact CH2-CG 4.26Å; W420-M448 HydrophobicContact CH2-SD 4.04Å; W420-M448 HydrophobicContact CZ2-CE 3.67Å; W420-M448 HydrophobicContact CZ2-CG 3.95Å; W420-M448 HydrophobicContact CZ2-SD 3.78Å; W420-L452 HydrophobicContact CH2-CD1 3.53Å; W420-L452 HydrophobicContact CZ2-CD1 4.46Å; W420-L452 HydrophobicContact CZ3-CD1 4.08Å; W420-L516 HydrophobicContact CD2-CD2 3.57Å; W420-L516 HydrophobicContact CE3-CB 4.3Å; W420-L516 HydrophobicContact CE3-CD2 3.85Å; W420-L516 HydrophobicContact CG-CD2 3.97Å; W420-L516 HydrophobicContact CH2-CB 4.4Å; W420-L516 HydrophobicContact CH2-CD2 4.33Å; W420-L516 HydrophobicContact CZ2-CD2 4.07Å; W420-L516 HydrophobicContact CZ3-CB 4.07Å; W420-L516 HydrophobicContact CZ3-CD2 4.22Å; W420-L516 VanDerWaalsContact CZ3-O 3.29Å; W420-L516 WeakPolarHBondContact CZ3-O 3.36Å; W420-L516 WeakPolarHBondContact O-CD2 3.41Å; W420-Y518 HydrophobicContact CH2-CD1 4.3Å; W420-Y518 HydrophobicContact CH2-CE1 4.21Å; W420-Y518 HydrophobicContact CZ3-CD1 4.33Å
421	S	98.9	Very high	97.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.9	-41.1	175.1	-56.4	0	0	0	0	112	Q398 Y402 A417 D418 V419 G423 C424 I425	Q398-S421 PolarHBondContact NE2-OG 3.43Å; Y402-S421 PolarHBondContact O-OG 3.07Å; A417-S421 PolarHBondContact O-N 2.98Å; D418-S421 WeakPolarHBondContact O-CA 3.38Å; D418-S421 WeakPolarHBondContact O-CB 2.94Å; D418-S421 PolarHBondContact O-N 2.72Å; V419-S421 VanDerWaalsContact C-N 3.31Å; V419-S421 PolarHBondContact O-N 2.72Å; S421-G423 VanDerWaalsContact C-N 3.33Å; S421-G423 PolarHBondContact O-N 2.78Å; S421-C424 WeakPolarHBondContact O-CB 3.39Å; S421-C424 PolarHBondContact O-N 3.21Å; S421-I425 WeakPolarHBondContact O-CD1 3.45Å; S421-I425 WeakPolarHBondContact O-CG1 3.42Å; S421-I425 PolarHBondContact O-N 3.46Å
422	I	98.9	Very high	97.6	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.2	-41.1	174.2	-59.5	171.1	0	0	0	111.1	V326 L329 V333 L346 D418 V419 W420 C424 I425 L426 M515 C526	V326-I422 HydrophobicContact CG1-CG2 4.08Å; L329-I422 HydrophobicContact CD2-CB 4.47Å; L329-I422 HydrophobicContact CD2-CG1 3.92Å; L329-I422 HydrophobicContact CD2-CG2 4.09Å; L329-I422 HydrophobicContact CG-CD1 4.26Å; L329-I422 HydrophobicContact CG-CG1 4.11Å; V333-I422 HydrophobicContact CB-CD1 4.1Å; V333-I422 HydrophobicContact CG1-CD1 4.15Å; V333-I422 HydrophobicContact CG2-CD1 4.07Å; L346-I422 HydrophobicContact CD1-CD1 4.29Å; L346-I422 HydrophobicContact CD1-CG1 3.89Å; D418-I422 WeakPolarHBondContact O-CG1 3.27Å; D418-I422 PolarHBondContact O-N 3.45Å; V419-I422 PolarHBondContact O-N 3.42Å; W420-I422 VanDerWaalsContact C-N 3.33Å; W420-I422 PolarHBondContact O-N 3.2Å; I422-C424 PolarHBondContact O-N 2.81Å; I422-I425 PolarHBondContact O-N 3.15Å; I422-I425 VanDerWaalsContact O-N 3.15Å; I422-L426 PolarHBondContact O-N 3.42Å; I422-M515 HydrophobicContact CB-CE 4.38Å; I422-M515 HydrophobicContact CB-SD 4.13Å; I422-M515 HydrophobicContact CG2-CE 3.62Å; I422-M515 HydrophobicContact CG2-SD 3.67Å; I422-C526 WeakPolarHBondContact CD1-SG 3.43Å
423	G	98.8	Very high	97.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.1	-43.6	175.1	0	0	0	0	0	112.9	V419 W420 S421 Y427	V419-G423 PolarHBondContact O-N 3.01Å; W420-G423 PolarHBondContact O-N 2.95Å; S421-G423 VanDerWaalsContact C-N 3.33Å; S421-G423 PolarHBondContact O-N 2.78Å; G423-Y427 PolarHBondContact O-N 3.27Å
424	C	98.7	Very high	97.5	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.007	9%	0.092	C	C	.	.	H	α-helix	trans	-63.1	-42.4	172.3	-68.5	0	0	0	0	112.4	Y402 W420 S421 I422 Y427 E428	Y402-C424 HydrophobicContact CD1-CB 3.82Å; W420-C424 PolarHBondContact O-N 2.61Å; S421-C424 WeakPolarHBondContact O-CB 3.39Å; S421-C424 PolarHBondContact O-N 3.21Å; I422-C424 PolarHBondContact O-N 2.81Å; C424-Y427 PolarHBondContact O-N 3.24Å; C424-E428 PolarHBondContact O-N 3.43Å; C424-E428 VanDerWaalsContact O-N 3.12Å
425	I	98.8	Very high	97.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.2	-49.3	179	-68.8	161.8	0	0	0	110.4	L329 L346 P348 I351 Y402 S421 I422 Y427 E428 L429	L329-I425 HydrophobicContact CD2-CD1 4.28Å; L329-I425 HydrophobicContact CD2-CG2 4.39Å; L346-I425 HydrophobicContact CB-CD1 4.24Å; P348-I425 HydrophobicContact CG-CG1 4.09Å; P348-I425 HydrophobicContact CG-CG2 4.39Å; I351-I425 HydrophobicContact CD1-CD1 4.14Å; I351-I425 HydrophobicContact CD1-CG2 4.28Å; Y402-I425 HydrophobicContact CD1-CG1 4.19Å; Y402-I425 HydrophobicContact CE1-CG1 4.39Å; S421-I425 WeakPolarHBondContact O-CD1 3.45Å; S421-I425 WeakPolarHBondContact O-CG1 3.42Å; S421-I425 PolarHBondContact O-N 3.46Å; I422-I425 PolarHBondContact O-N 3.15Å; I422-I425 VanDerWaalsContact O-N 3.15Å; I425-Y427 VanDerWaalsContact C-N 3.32Å; I425-Y427 PolarHBondContact O-N 3.43Å; I425-E428 CarbonylContact O-C 3.52Å; I425-E428 WeakPolarHBondContact O-CA 3.28Å; I425-E428 WeakPolarHBondContact O-CB 3.23Å; I425-E428 PolarHBondContact O-N 3.14Å; I425-L429 HydrophobicContact CG2-CD1 4.3Å; I425-L429 HydrophobicContact CG2-CG 4.23Å; I425-L429 WeakPolarHBondContact O-CG 3.41Å; I425-L429 PolarHBondContact O-N 3.26Å
426	L	98.7	Very high	97.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-58.1	-42.7	179	173.9	55.3	0	0	0	111.8	C322 V326 I422 E428 L429 V430 A508 L511 V512 F534	C322-L426 HydrophobicContact CB-CD1 4.32Å; V326-L426 HydrophobicContact CG2-CB 4.03Å; V326-L426 HydrophobicContact CG2-CD1 3.88Å; V326-L426 HydrophobicContact CG2-CG 4.39Å; I422-L426 PolarHBondContact O-N 3.42Å; L426-E428 VanDerWaalsContact C-N 3.3Å; L426-E428 PolarHBondContact O-N 3.33Å; L426-L429 PolarHBondContact O-N 3.39Å; L426-V430 HydrophobicContact CD1-CG2 3.86Å; L426-V430 WeakPolarHBondContact O-CG2 3.25Å; L426-V430 PolarHBondContact O-N 3.06Å; L426-V430 VanDerWaalsContact O-N 3.13Å; L426-A508 HydrophobicContact CD1-CB 4.34Å; L426-L511 HydrophobicContact CD2-CB 3.98Å; L426-L511 HydrophobicContact CD2-CD2 4Å; L426-L511 HydrophobicContact CD2-CG 4.07Å; L426-V512 HydrophobicContact CB-CG2 3.99Å; L426-V512 HydrophobicContact CD2-CG2 3.76Å; L426-V512 HydrophobicContact CG-CG2 3.67Å; L426-F534 HydrophobicContact CD1-CE1 3.74Å; L426-F534 HydrophobicContact CD1-CZ 4.09Å; L426-F534 HydrophobicContact CD2-CD1 4.44Å; L426-F534 HydrophobicContact CD2-CE1 4.21Å
427	Y	97.9	Very high	97.3	Very high	5 Å²	5	13.8 Å²	13.8	2%	0.02	7%	0.072	C	C	.	.	H	α-helix	trans	-56.7	-45.5	172.4	176.6	-80.8	0	0	0	111.4	G423 C424 I425 V430 T431 Q433 L435 Y496 F509	G423-Y427 PolarHBondContact O-N 3.27Å; C424-Y427 PolarHBondContact O-N 3.24Å; I425-Y427 VanDerWaalsContact C-N 3.32Å; I425-Y427 PolarHBondContact O-N 3.43Å; Y427-V430 PolarHBondContact O-N 3.47Å; Y427-T431 HydrophobicContact CD1-CG2 4.32Å; Y427-T431 HydrophobicContact CD2-CG2 4.31Å; Y427-T431 HydrophobicContact CE1-CG2 3.99Å; Y427-T431 VanDerWaalsContact CE1-OG1 3.27Å; Y427-T431 WeakPolarHBondContact CE1-OG1 3.18Å; Y427-T431 HydrophobicContact CE2-CG2 3.98Å; Y427-T431 HydrophobicContact CG-CG2 4.46Å; Y427-T431 WeakPolarHBondContact O-CB 3.35Å; Y427-T431 WeakPolarHBondContact O-CG2 3.38Å; Y427-T431 PolarHBondContact O-N 2.82Å; Y427-T431 PolarHBondContact O-OG1 3.05Å; Y427-Q433 WeakPolarHBondContact CD1-O 3.28Å; Y427-Q433 VanDerWaalsContact CE1-O 3.27Å; Y427-Q433 WeakPolarHBondContact CE1-O 3.23Å; Y427-L435 HydrophobicContact CD1-CB 3.63Å; Y427-L435 HydrophobicContact CD1-CD1 3.74Å; Y427-L435 HydrophobicContact CD1-CG 4.16Å; Y427-L435 HydrophobicContact CD2-CD1 3.81Å; Y427-L435 HydrophobicContact CE1-CB 4.07Å; Y427-L435 HydrophobicContact CE1-CD1 3.69Å; Y427-L435 HydrophobicContact CE1-CG 4.48Å; Y427-L435 HydrophobicContact CE2-CD1 3.76Å; Y427-L435 HydrophobicContact CG-CB 4.14Å; Y427-L435 HydrophobicContact CG-CD1 3.82Å; Y427-L435 HydrophobicContact CG-CD2 4.25Å; Y427-L435 HydrophobicContact CG-CG 4.29Å; Y427-Y496 HydrophobicContact CE2-CD1 4.22Å; Y427-Y496 AromaticContact CE2-CE1 3.81Å; Y427-Y496 HydrophobicContact CE2-CE1 3.81Å; Y427-Y496 HydrophobicContact CE2-CE2 4.47Å; Y427-Y496 AromaticContact CE2-CZ 3.95Å; Y427-Y496 WeakPolarHBondContact OH-CE1 3.35Å; Y427-Y496 PolarHBondContact OH-OH 2.99Å; Y427-F509 HydrophobicContact CD2-CD1 4.43Å; Y427-F509 AromaticContact CD2-CE1 3.79Å; Y427-F509 HydrophobicContact CD2-CE1 3.79Å; Y427-F509 HydrophobicContact CE2-CE1 4.11Å
428	E	97.8	Very high	97	Very high	4 Å²	4	14 Å²	14	2%	0.019	7%	0.073	C	C	.	.	H	α-helix	trans	-67.2	-37.8	-179.4	-178.4	160.7	-169.4	0	0	112.8	L309 Y402 C424 I425 L426 V430 G432 Q433 C434	L309-E428 HydrophobicContact CD2-CG 4.2Å; Y402-E428 PolarHBondContact OH-OE2 2.87Å; C424-E428 PolarHBondContact O-N 3.43Å; C424-E428 VanDerWaalsContact O-N 3.12Å; I425-E428 CarbonylContact O-C 3.52Å; I425-E428 WeakPolarHBondContact O-CA 3.28Å; I425-E428 WeakPolarHBondContact O-CB 3.23Å; I425-E428 PolarHBondContact O-N 3.14Å; L426-E428 VanDerWaalsContact C-N 3.3Å; L426-E428 PolarHBondContact O-N 3.33Å; E428-V430 PolarHBondContact O-N 3.42Å; E428-G432 VanDerWaalsContact O-CA 3.23Å; E428-G432 WeakPolarHBondContact O-CA 3.39Å; E428-G432 PolarHBondContact O-N 3.16Å; E428-Q433 WeakPolarHBondContact CA-O 3.37Å; E428-C434 VanDerWaalsContact CD-CA 3.48Å; E428-C434 WeakPolarHBondContact OE2-CA 3.49Å; E428-C434 WeakPolarHBondContact OE2-CB 3.37Å
429	L	98.2	Very high	96.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.5	-42.3	175.1	-57.4	-175.9	0	0	0	112.2	V305 Y317 C322 I325 V326 I425 L426	V305-L429 HydrophobicContact CG1-CD2 3.35Å; Y317-L429 HydrophobicContact CD2-CB 4.17Å; Y317-L429 HydrophobicContact CD2-CD2 3.76Å; Y317-L429 HydrophobicContact CD2-CG 4.5Å; Y317-L429 HydrophobicContact CE2-CD2 3.75Å; Y317-L429 PolarHBondContact N-O 2.93Å; Y317-L429 VanDerWaalsContact N-O 3.14Å; C322-L429 HydrophobicContact CB-CB 4.41Å; I325-L429 HydrophobicContact CB-CD1 4.14Å; I325-L429 HydrophobicContact CD1-CD1 4.45Å; I325-L429 HydrophobicContact CG2-CD1 3.75Å; V326-L429 HydrophobicContact CG2-CD1 4.06Å; I425-L429 HydrophobicContact CG2-CD1 4.3Å; I425-L429 HydrophobicContact CG2-CG 4.23Å; I425-L429 WeakPolarHBondContact O-CG 3.41Å; I425-L429 PolarHBondContact O-N 3.26Å; L426-L429 PolarHBondContact O-N 3.39Å
430	V	96.6	Very high	96.3	Very high	17 Å²	17	21.9 Å²	21.9	10%	0.103	11%	0.112	C	C	.	.	H	α-helix	trans	-74.8	-30.4	-177.5	173.2	0	0	0	0	112.5	P316 I319 C322 L426 Y427 E428 K505 A508 F509	P316-V430 WeakPolarHBondContact CB-O 3.29Å; I319-V430 HydrophobicContact CD1-CG2 4.03Å; C322-V430 HydrophobicContact CB-CG2 4.12Å; L426-V430 HydrophobicContact CD1-CG2 3.86Å; L426-V430 WeakPolarHBondContact O-CG2 3.25Å; L426-V430 PolarHBondContact O-N 3.06Å; L426-V430 VanDerWaalsContact O-N 3.13Å; Y427-V430 PolarHBondContact O-N 3.47Å; E428-V430 PolarHBondContact O-N 3.42Å; V430-K505 HydrophobicContact CG1-CG 4.46Å; V430-A508 HydrophobicContact CG2-CB 4.04Å; V430-F509 HydrophobicContact CG1-CE1 4.44Å; V430-F509 HydrophobicContact CG1-CE2 4.11Å; V430-F509 HydrophobicContact CG1-CZ 3.77Å
431	T	93.9	Very high	96.2	Very high	29 Å²	29	22.8 Å²	22.8	18%	0.178	12%	0.117	C	C	.	.	H	α-helix	trans	-108.3	-16.8	-174.2	63.7	0	0	0	0	114.8	Y427 Q433 F509	Y427-T431 HydrophobicContact CD1-CG2 4.32Å; Y427-T431 HydrophobicContact CD2-CG2 4.31Å; Y427-T431 HydrophobicContact CE1-CG2 3.99Å; Y427-T431 VanDerWaalsContact CE1-OG1 3.27Å; Y427-T431 WeakPolarHBondContact CE1-OG1 3.18Å; Y427-T431 HydrophobicContact CE2-CG2 3.98Å; Y427-T431 HydrophobicContact CG-CG2 4.46Å; Y427-T431 WeakPolarHBondContact O-CB 3.35Å; Y427-T431 WeakPolarHBondContact O-CG2 3.38Å; Y427-T431 PolarHBondContact O-N 2.82Å; Y427-T431 PolarHBondContact O-OG1 3.05Å; T431-Q433 PolarHBondContact O-N 3.38Å; T431-Q433 PolarHBondContact OG1-N 3.5Å; T431-Q433 PolarHBondContact OG1-O 2.93Å; T431-F509 HydrophobicContact CG2-CE1 4.29Å; T431-F509 HydrophobicContact CG2-CZ 4Å
432	G	95.2	Very high	96.1	Very high	4 Å²	4	24.3 Å²	24.3	4%	0.041	13%	0.125	C	C	.	.	S	Bend	trans	70.1	12.7	-168.6	0	0	0	0	0	113.6	E428	E428-G432 VanDerWaalsContact O-CA 3.23Å; E428-G432 WeakPolarHBondContact O-CA 3.39Å; E428-G432 PolarHBondContact O-N 3.16Å
433	Q	93.9	Very high	95.9	Very high	120 Å²	120	25.8 Å²	25.8	56%	0.561	13%	0.132	S	C	*	.	S	Bend	trans	-131.2	122.9	-171.4	-63.8	-177.9	-7.2	0	0	111.7	Y427 E428 T431 L435	Y427-Q433 WeakPolarHBondContact CD1-O 3.28Å; Y427-Q433 VanDerWaalsContact CE1-O 3.27Å; Y427-Q433 WeakPolarHBondContact CE1-O 3.23Å; E428-Q433 WeakPolarHBondContact CA-O 3.37Å; T431-Q433 PolarHBondContact O-N 3.38Å; T431-Q433 PolarHBondContact OG1-N 3.5Å; T431-Q433 PolarHBondContact OG1-O 2.93Å; Q433-L435 PolarHBondContact O-N 3.39Å
434	C	95.8	Very high	95.9	Very high	21 Å²	21	25.8 Å²	25.8	14%	0.142	13%	0.132	C	C	.	.			trans	-57.2	121.3	169.1	165.8	0	0	0	0	111.1	E428 F436 M437	E428-C434 VanDerWaalsContact CD-CA 3.48Å; E428-C434 WeakPolarHBondContact OE2-CA 3.49Å; E428-C434 WeakPolarHBondContact OE2-CB 3.37Å; C434-F436 PolarHBondContact O-N 3.14Å; C434-M437 HydrophobicContact CB-CE 3.8Å
435	L	96.5	Very high	95.8	Very high	7 Å²	7	25.7 Å²	25.7	4%	0.037	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-43.2	-170.1	-179.1	56.4	0	0	0	113.6	Y427 Q433 L451 L490 L516	Y427-L435 HydrophobicContact CD1-CB 3.63Å; Y427-L435 HydrophobicContact CD1-CD1 3.74Å; Y427-L435 HydrophobicContact CD1-CG 4.16Å; Y427-L435 HydrophobicContact CD2-CD1 3.81Å; Y427-L435 HydrophobicContact CE1-CB 4.07Å; Y427-L435 HydrophobicContact CE1-CD1 3.69Å; Y427-L435 HydrophobicContact CE1-CG 4.48Å; Y427-L435 HydrophobicContact CE2-CD1 3.76Å; Y427-L435 HydrophobicContact CG-CB 4.14Å; Y427-L435 HydrophobicContact CG-CD1 3.82Å; Y427-L435 HydrophobicContact CG-CD2 4.25Å; Y427-L435 HydrophobicContact CG-CG 4.29Å; Q433-L435 PolarHBondContact O-N 3.39Å; L435-L451 HydrophobicContact CD1-CD1 4.27Å; L435-L451 HydrophobicContact CD1-CD2 3.85Å; L435-L451 HydrophobicContact CD2-CD2 3.81Å; L435-L451 HydrophobicContact CG-CD2 4.18Å; L435-L490 HydrophobicContact CD1-CD1 3.84Å; L435-L516 HydrophobicContact CD2-CD1 3.63Å
436	F	96.8	Very high	95.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	64.6	-174.6	-59.6	-55.2	0	0	0	111.9	H401 W420 C434 T438 H444 M447 M448 L451 L490	H401-F436 PolarHBondContact CD2-O 3.49Å; H401-F436 VanDerWaalsContact CD2-O 3.26Å; W420-F436 AromaticContact CZ2-CE2 3.84Å; W420-F436 HydrophobicContact CZ2-CE2 3.84Å; W420-F436 HydrophobicContact CZ2-CZ 4.22Å; C434-F436 PolarHBondContact O-N 3.14Å; F436-T438 VanDerWaalsContact C-N 3.35Å; F436-T438 PolarHBondContact O-N 3.02Å; F436-H444 VanDerWaalsContact CB-NE2 3.32Å; F436-H444 WeakPolarHBondContact CB-NE2 3.48Å; F436-H444 AromaticContact CD2-NE2 3.34Å; F436-H444 VanDerWaalsContact CD2-NE2 3.34Å; F436-H444 WeakPolarHBondContact CD2-NE2 3.07Å; F436-H444 AromaticContact CG-CD2 3.63Å; F436-H444 AromaticContact CG-NE2 3.34Å; F436-H444 VanDerWaalsContact CG-NE2 3.34Å; F436-H444 WeakPolarHBondContact CG-NE2 3.35Å; F436-M447 HydrophobicContact CD1-CB 3.72Å; F436-M447 HydrophobicContact CD1-CE 4.35Å; F436-M447 HydrophobicContact CE1-CB 4.07Å; F436-M448 HydrophobicContact CE1-CG 4.05Å; F436-M448 HydrophobicContact CE2-CG 4.32Å; F436-M448 HydrophobicContact CZ-CG 3.83Å; F436-L451 HydrophobicContact CE1-CD2 4.07Å; F436-L451 HydrophobicContact CZ-CD2 3.72Å; F436-L490 HydrophobicContact CD1-CD2 4.46Å; F436-L490 HydrophobicContact CE1-CD2 4.21Å
437	M	93	Very high	95.7	Very high	79 Å²	79	26.1 Å²	26.1	39%	0.389	13%	0.134	S	C	.	.			trans	-71.5	84.5	174.4	-172.7	63.1	64.2	0	0	111.5	C434 Y485	C434-M437 HydrophobicContact CB-CE 3.8Å; M437-Y485 PolarHBondContact O-OH 3.21Å
438	T	91.8	Very high	95.7	Very high	4 Å²	4	25.9 Å²	25.9	3%	0.025	13%	0.133	C	C	.	.			trans	-145	160.7	-179.9	178.4	0	0	0	0	111.7	R400 H401 F436 D440 E443 H444 M447	R400-T438 WeakPolarHBondContact CD-O 3.43Å; H401-T438 PolarHBondContact CD2-O 3.05Å; H401-T438 PolarHBondContact NE2-O 3.25Å; F436-T438 VanDerWaalsContact C-N 3.35Å; F436-T438 PolarHBondContact O-N 3.02Å; T438-D440 PolarHBondContact OG1-N 3.24Å; T438-D440 PolarHBondContact OG1-O 3.42Å; T438-E443 VanDerWaalsContact CB-OE1 3.31Å; T438-E443 WeakPolarHBondContact CB-OE1 3.35Å; T438-E443 PolarHBondContact OG1-OE1 3.3Å; T438-H444 HydrophobicContact CG2-CB 3.67Å; T438-M447 HydrophobicContact CG2-SD 4.14Å
439	H	90	Very high	95.7	Very high	97 Å²	97	28.1 Å²	28.1	45%	0.449	14%	0.144	S	C	.	.	S	Bend	trans	-117.5	1.7	175.4	-59	-30.2	0	0	0	113.9	R400	R400-H439 PolarHBondContact NE-O 2.89Å; R400-H439 PolarHBondContact NH2-O 3.26Å
440	D	94.1	Very high	95.5	Very high	72 Å²	72	32.1 Å²	32.1	39%	0.385	16%	0.159	S	C	.	.	S	Bend	trans	-122.3	153	-179.7	177.8	58.1	0	0	0	112.3	R400 T438 L442 E443 H444	R400-D440 PolarHBondContact NH1-O 3.37Å; T438-D440 PolarHBondContact OG1-N 3.24Å; T438-D440 PolarHBondContact OG1-O 3.42Å; D440-L442 WeakPolarHBondContact OD2-CA 3.33Å; D440-L442 VanDerWaalsContact OD2-CB 3.26Å; D440-L442 WeakPolarHBondContact OD2-CB 3.17Å; D440-L442 PolarHBondContact OD2-N 3.03Å; D440-E443 HydrophobicContact CB-CB 4.23Å; D440-E443 PolarHBondContact OD2-N 3.07Å; D440-E443 VanDerWaalsContact OD2-N 3.1Å; D440-H444 WeakPolarHBondContact O-CB 3.49Å; D440-H444 PolarHBondContact O-N 3.48Å
441	N	96.2	Very high	95.6	Very high	18 Å²	18	31.5 Å²	31.5	10%	0.096	16%	0.155	C	C	.	.	H	α-helix	trans	-78.2	-33.6	-179.5	-78.7	31.9	0	0	0	112.8	R400 V408 L445 Y468	R400-N441 PolarHBondContact NH1-OD1 3.14Å; R400-N441 PolarHBondContact NH2-OD1 3.03Å; V408-N441 HydrophobicContact CG1-CB 3.93Å; N441-L445 WeakPolarHBondContact O-CG 3.2Å; N441-L445 PolarHBondContact O-N 2.98Å; N441-L445 VanDerWaalsContact O-N 3.16Å; N441-Y468 HydrophobicContact CB-CE2 3.73Å; N441-Y468 WeakPolarHBondContact CB-OH 3.17Å
442	L	96	Very high	95.7	Very high	33 Å²	33	32.4 Å²	32.4	17%	0.173	16%	0.159	C	C	.	.	H	α-helix	trans	-75.3	-41.7	-178.9	-177.6	69.2	0	0	0	110.1	D440 H444 L445 A446 Y468 L474 W476	D440-L442 WeakPolarHBondContact OD2-CA 3.33Å; D440-L442 VanDerWaalsContact OD2-CB 3.26Å; D440-L442 WeakPolarHBondContact OD2-CB 3.17Å; D440-L442 PolarHBondContact OD2-N 3.03Å; L442-H444 VanDerWaalsContact C-N 3.32Å; L442-H444 PolarHBondContact O-N 3.37Å; L442-L445 PolarHBondContact O-N 3.26Å; L442-A446 PolarHBondContact O-N 2.91Å; L442-Y468 HydrophobicContact CB-CD1 4.03Å; L442-Y468 HydrophobicContact CB-CE1 4.23Å; L442-Y468 HydrophobicContact CD1-CD1 3.89Å; L442-Y468 HydrophobicContact CD1-CG 3.94Å; L442-Y468 HydrophobicContact CG-CD1 4.42Å; L442-L474 HydrophobicContact CD1-CD1 3.79Å; L442-L474 HydrophobicContact CD1-CD2 4.5Å; L442-L474 HydrophobicContact CD1-CG 3.93Å; L442-W476 HydrophobicContact CD2-CE3 3.86Å; L442-W476 HydrophobicContact CD2-CZ3 4.24Å; L442-W476 HydrophobicContact CG-CE3 3.72Å; L442-W476 HydrophobicContact CG-CZ3 4.09Å
443	E	96	Very high	95.8	Very high	30 Å²	30	33.9 Å²	33.9	14%	0.14	17%	0.174	C	C	.	.	H	α-helix	trans	-60.2	-41	170.2	-174.9	175.2	68.5	0	0	111.6	T438 D440 L445 A446 M447 W476 V486	T438-E443 VanDerWaalsContact CB-OE1 3.31Å; T438-E443 WeakPolarHBondContact CB-OE1 3.35Å; T438-E443 PolarHBondContact OG1-OE1 3.3Å; D440-E443 HydrophobicContact CB-CB 4.23Å; D440-E443 PolarHBondContact OD2-N 3.07Å; D440-E443 VanDerWaalsContact OD2-N 3.1Å; E443-L445 PolarHBondContact O-N 2.62Å; E443-A446 WeakPolarHBondContact O-CB 3.12Å; E443-A446 PolarHBondContact O-N 3.01Å; E443-A446 VanDerWaalsContact O-N 3.12Å; E443-M447 WeakPolarHBondContact O-CG 3.45Å; E443-M447 PolarHBondContact O-N 3.22Å; E443-W476 HydrophobicContact CB-CH2 3.65Å; E443-W476 HydrophobicContact CB-CZ3 4.09Å; E443-W476 HydrophobicContact CG-CH2 3.83Å; E443-W476 HydrophobicContact CG-CZ2 4.34Å; E443-V486 HydrophobicContact CG-CG2 4.13Å
444	H	97.5	Very high	95.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-58.2	-48.2	175.9	-164.8	-172.6	0	0	0	112.2	R400 R403 F436 T438 D440 L442 A446 M447 M448	R400-H444 PolarHBondContact O-CE1 2.73Å; R400-H444 PolarHBondContact O-ND1 2.9Å; R403-H444 PolarHBondContact O-CE1 3.33Å; F436-H444 VanDerWaalsContact CB-NE2 3.32Å; F436-H444 WeakPolarHBondContact CB-NE2 3.48Å; F436-H444 AromaticContact CD2-NE2 3.34Å; F436-H444 VanDerWaalsContact CD2-NE2 3.34Å; F436-H444 WeakPolarHBondContact CD2-NE2 3.07Å; F436-H444 AromaticContact CG-CD2 3.63Å; F436-H444 AromaticContact CG-NE2 3.34Å; F436-H444 VanDerWaalsContact CG-NE2 3.34Å; F436-H444 WeakPolarHBondContact CG-NE2 3.35Å; T438-H444 HydrophobicContact CG2-CB 3.67Å; D440-H444 WeakPolarHBondContact O-CB 3.49Å; D440-H444 PolarHBondContact O-N 3.48Å; L442-H444 VanDerWaalsContact C-N 3.32Å; L442-H444 PolarHBondContact O-N 3.37Å; H444-A446 VanDerWaalsContact C-N 3.29Å; H444-A446 PolarHBondContact O-N 2.85Å; H444-M447 PolarHBondContact O-N 2.84Å; H444-M448 VanDerWaalsContact CE1-CE 3.47Å; H444-M448 WeakPolarHBondContact CE1-CE 3.27Å; H444-M448 VanDerWaalsContact NE2-CE 3.33Å; H444-M448 WeakPolarHBondContact NE2-CE 3.33Å; H444-M448 WeakPolarHBondContact O-CG 3.42Å; H444-M448 PolarHBondContact O-N 2.99Å
445	L	97.9	Very high	96	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-35.9	175.4	-69.3	172.7	0	0	0	112.3	V408 M409 N441 L442 E443 M448 E449 L455 Y468 F469 L474	V408-L445 HydrophobicContact CB-CD2 4.27Å; V408-L445 HydrophobicContact CG1-CD1 4.08Å; V408-L445 HydrophobicContact CG1-CD2 3.92Å; V408-L445 HydrophobicContact CG1-CG 3.77Å; M409-L445 HydrophobicContact CG-CD1 4.26Å; M409-L445 HydrophobicContact CG-CD2 4.18Å; N441-L445 WeakPolarHBondContact O-CG 3.2Å; N441-L445 PolarHBondContact O-N 2.98Å; N441-L445 VanDerWaalsContact O-N 3.16Å; L442-L445 PolarHBondContact O-N 3.26Å; E443-L445 PolarHBondContact O-N 2.62Å; L445-M448 HydrophobicContact CD2-SD 4.06Å; L445-M448 PolarHBondContact O-N 3.09Å; L445-E449 PolarHBondContact O-N 3.06Å; L445-L455 HydrophobicContact CB-CD1 4.17Å; L445-L455 HydrophobicContact CD2-CD1 4.08Å; L445-L455 HydrophobicContact CD2-CD2 4.42Å; L445-Y468 HydrophobicContact CD1-CD2 3.9Å; L445-F469 HydrophobicContact CD1-CZ 3.92Å; L445-L474 HydrophobicContact CB-CD1 3.66Å; L445-L474 HydrophobicContact CB-CD2 4.05Å; L445-L474 HydrophobicContact CD1-CD1 3.87Å; L445-L474 HydrophobicContact CG-CD1 4.42Å
446	A	97.1	Very high	96	Very high	6 Å²	6	34.3 Å²	34.3	5%	0.05	18%	0.184	C	C	.	.	H	α-helix	trans	-69.6	-34.3	176	0	0	0	0	0	113	L442 E443 H444 R450 L474 W476	L442-A446 PolarHBondContact O-N 2.91Å; E443-A446 WeakPolarHBondContact O-CB 3.12Å; E443-A446 PolarHBondContact O-N 3.01Å; E443-A446 VanDerWaalsContact O-N 3.12Å; H444-A446 VanDerWaalsContact C-N 3.29Å; H444-A446 PolarHBondContact O-N 2.85Å; A446-R450 WeakPolarHBondContact O-CB 3.34Å; A446-R450 PolarHBondContact O-N 3.23Å; A446-L474 HydrophobicContact CB-CD2 3.72Å; A446-W476 HydrophobicContact CB-CD2 3.57Å; A446-W476 HydrophobicContact CB-CE3 4.23Å; A446-W476 HydrophobicContact CB-CG 3.74Å; A446-W476 HydrophobicContact CB-CH2 4.46Å; A446-W476 HydrophobicContact CB-CZ2 3.88Å
447	M	97.6	Very high	95.9	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.015	22%	0.216	C	C	.	.	H	α-helix	trans	-66.3	-43.1	170.6	-68.3	-178.5	77.1	0	0	111.1	F436 T438 E443 H444 E449 R450 L451 V486 V489 L490	F436-M447 HydrophobicContact CD1-CB 3.72Å; F436-M447 HydrophobicContact CD1-CE 4.35Å; F436-M447 HydrophobicContact CE1-CB 4.07Å; T438-M447 HydrophobicContact CG2-SD 4.14Å; E443-M447 WeakPolarHBondContact O-CG 3.45Å; E443-M447 PolarHBondContact O-N 3.22Å; H444-M447 PolarHBondContact O-N 2.84Å; M447-E449 PolarHBondContact O-N 3.09Å; M447-R450 WeakPolarHBondContact O-CB 3.44Å; M447-R450 PolarHBondContact O-N 3.03Å; M447-L451 PolarHBondContact O-N 3.23Å; M447-L451 VanDerWaalsContact O-N 3.09Å; M447-V486 HydrophobicContact CG-CB 4.46Å; M447-V486 HydrophobicContact CG-CG1 4Å; M447-V486 HydrophobicContact CG-CG2 3.76Å; M447-V489 HydrophobicContact CE-CG2 4.27Å; M447-L490 HydrophobicContact CB-CD2 3.81Å; M447-L490 HydrophobicContact CE-CD2 4.15Å; M447-L490 HydrophobicContact CG-CD2 4.42Å; M447-L490 WeakPolarHBondContact O-CD2 3.45Å
448	M	98.1	Very high	96	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.5	-50.4	173	-63.5	176.7	-175.6	0	0	110.8	R403 P405 V408 W420 F436 H444 L445 R450 L451 L452 Y518	R403-M448 WeakPolarHBondContact O-CE 3.39Å; P405-M448 HydrophobicContact CB-CE 4.43Å; P405-M448 HydrophobicContact CB-SD 3.83Å; V408-M448 HydrophobicContact CG2-CE 4.27Å; W420-M448 HydrophobicContact CH2-CE 4.48Å; W420-M448 HydrophobicContact CH2-CG 4.26Å; W420-M448 HydrophobicContact CH2-SD 4.04Å; W420-M448 HydrophobicContact CZ2-CE 3.67Å; W420-M448 HydrophobicContact CZ2-CG 3.95Å; W420-M448 HydrophobicContact CZ2-SD 3.78Å; F436-M448 HydrophobicContact CE1-CG 4.05Å; F436-M448 HydrophobicContact CE2-CG 4.32Å; F436-M448 HydrophobicContact CZ-CG 3.83Å; H444-M448 VanDerWaalsContact CE1-CE 3.47Å; H444-M448 WeakPolarHBondContact CE1-CE 3.27Å; H444-M448 VanDerWaalsContact NE2-CE 3.33Å; H444-M448 WeakPolarHBondContact NE2-CE 3.33Å; H444-M448 WeakPolarHBondContact O-CG 3.42Å; H444-M448 PolarHBondContact O-N 2.99Å; L445-M448 HydrophobicContact CD2-SD 4.06Å; L445-M448 PolarHBondContact O-N 3.09Å; M448-R450 PolarHBondContact O-N 3.49Å; M448-L451 PolarHBondContact O-N 3.09Å; M448-L452 PolarHBondContact O-N 3.35Å; M448-Y518 HydrophobicContact CB-CE1 3.97Å; M448-Y518 WeakPolarHBondContact CB-OH 3.07Å; M448-Y518 PolarHBondContact O-OH 2.89Å; M448-Y518 VanDerWaalsContact O-OH 3.09Å; M448-Y518 HydrophobicContact SD-CE1 4.35Å
449	E	97.1	Very high	96.3	Very high	51 Å²	51	41.7 Å²	41.7	24%	0.238	22%	0.223	C	C	.	.	H	α-helix	trans	-61.3	-32.2	179.4	-75.1	-159.3	142.5	0	0	113	L445 M447 G453 L455 Y518	L445-E449 PolarHBondContact O-N 3.06Å; M447-E449 PolarHBondContact O-N 3.09Å; E449-G453 VanDerWaalsContact CA-O 3.3Å; E449-G453 WeakPolarHBondContact CA-O 3.44Å; E449-G453 CarbonylContact O-C 3.56Å; E449-G453 WeakPolarHBondContact O-CA 3.41Å; E449-G453 PolarHBondContact O-N 2.95Å; E449-G453 VanDerWaalsContact O-N 3.09Å; E449-L455 HydrophobicContact CG-CB 4.4Å; E449-L455 HydrophobicContact CG-CD1 3.86Å; E449-L455 HydrophobicContact CG-CG 3.73Å; E449-L455 PolarHBondContact OE1-N 2.86Å; E449-Y518 WeakPolarHBondContact CA-OH 3.34Å; E449-Y518 PolarHBondContact N-OH 3.25Å
450	R	95.6	Very high	96.6	Very high	83 Å²	83	37.4 Å²	37.4	31%	0.313	20%	0.204	S	C	.	.	H	α-helix	trans	-68.3	-33.9	175.4	175.2	58	-178.3	152.6	0.7	112.9	A446 M447 M448 V486 L490	A446-R450 WeakPolarHBondContact O-CB 3.34Å; A446-R450 PolarHBondContact O-N 3.23Å; M447-R450 WeakPolarHBondContact O-CB 3.44Å; M447-R450 PolarHBondContact O-N 3.03Å; M448-R450 PolarHBondContact O-N 3.49Å; R450-V486 HydrophobicContact CB-CG1 3.73Å; R450-V486 HydrophobicContact CG-CG1 3.94Å; R450-L490 HydrophobicContact CG-CB 4.06Å; R450-L490 HydrophobicContact CG-CG 4.36Å; R450-L490 WeakPolarHBondContact CG-O 3.31Å; R450-L490 PolarHBondContact NE-O 3.12Å; R450-L490 PolarHBondContact NH2-O 2.93Å
451	L	96.9	Very high	96.5	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-83.5	-46.7	-178.6	-179.1	71.9	0	0	0	112.3	L435 F436 M447 M448 L490 K491 P492 L493 L516	L435-L451 HydrophobicContact CD1-CD1 4.27Å; L435-L451 HydrophobicContact CD1-CD2 3.85Å; L435-L451 HydrophobicContact CD2-CD2 3.81Å; L435-L451 HydrophobicContact CG-CD2 4.18Å; F436-L451 HydrophobicContact CE1-CD2 4.07Å; F436-L451 HydrophobicContact CZ-CD2 3.72Å; M447-L451 PolarHBondContact O-N 3.23Å; M447-L451 VanDerWaalsContact O-N 3.09Å; M448-L451 PolarHBondContact O-N 3.09Å; L451-L490 HydrophobicContact CB-CD2 4.06Å; L451-L490 HydrophobicContact CB-CG 4.32Å; L451-L490 HydrophobicContact CD1-CD1 4.1Å; L451-L490 HydrophobicContact CD1-CG 4.42Å; L451-K491 WeakPolarHBondContact CD1-O 3.32Å; L451-P492 CarbonylContact O-C 3.58Å; L451-P492 WeakPolarHBondContact O-CA 3.33Å; L451-L493 HydrophobicContact CD1-CB 3.82Å; L451-L493 HydrophobicContact CD1-CD1 4.23Å; L451-L493 HydrophobicContact CG-CB 4.09Å; L451-L493 PolarHBondContact O-N 3.1Å; L451-L516 HydrophobicContact CD2-CD1 3.96Å
452	L	97	Very high	96.4	Very high	49 Å²	49	45.7 Å²	45.7	26%	0.257	24%	0.244	S	C	.	.	H	α-helix	trans	-111.2	-12	-163.6	-57.5	166.8	0	0	0	113.6	W420 M448 L493 L516 Y518	W420-L452 HydrophobicContact CH2-CD1 3.53Å; W420-L452 HydrophobicContact CZ2-CD1 4.46Å; W420-L452 HydrophobicContact CZ3-CD1 4.08Å; M448-L452 PolarHBondContact O-N 3.35Å; L452-L493 HydrophobicContact CD2-CD2 4.03Å; L452-L516 HydrophobicContact CD1-CB 4.1Å; L452-L516 WeakPolarHBondContact CD1-O 3.49Å; L452-L516 HydrophobicContact CD2-CB 3.94Å; L452-Y518 HydrophobicContact CB-CE2 3.68Å; L452-Y518 HydrophobicContact CD1-CE1 4.08Å; L452-Y518 HydrophobicContact CD1-CE2 4.24Å
453	G	96.2	Very high	96.4	Very high	35 Å²	35	44.2 Å²	44.2	36%	0.361	24%	0.237	S	C	.	.			trans	94.1	-177.4	-171	0	0	0	0	0	112.9	E449 Y518	E449-G453 VanDerWaalsContact CA-O 3.3Å; E449-G453 WeakPolarHBondContact CA-O 3.44Å; E449-G453 CarbonylContact O-C 3.56Å; E449-G453 WeakPolarHBondContact O-CA 3.41Å; E449-G453 PolarHBondContact O-N 2.95Å; E449-G453 VanDerWaalsContact O-N 3.09Å; G453-Y518 WeakPolarHBondContact O-CE2 3.35Å; G453-Y518 PolarHBondContact O-OH 3.12Å; G453-Y518 VanDerWaalsContact O-OH 3.14Å
454	T	96.4	Very high	96.2	Very high	120 Å²	120	51.4 Å²	51.4	74%	0.736	26%	0.262	S	S	*	.	S	Bend	trans	-61.7	139.1	-169.4	54.8	0	0	0	0	113.7
455	L	97.4	Very high	96.1	Very high	7 Å²	7	54.6 Å²	54.6	4%	0.037	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-59	136.2	176.2	-78.6	159	0	0	0	111.9	M409 L445 E449 K457 T460 F469 L474 Y518	M409-L455 HydrophobicContact CE-CD2 3.97Å; L445-L455 HydrophobicContact CB-CD1 4.17Å; L445-L455 HydrophobicContact CD2-CD1 4.08Å; L445-L455 HydrophobicContact CD2-CD2 4.42Å; E449-L455 HydrophobicContact CG-CB 4.4Å; E449-L455 HydrophobicContact CG-CD1 3.86Å; E449-L455 HydrophobicContact CG-CG 3.73Å; E449-L455 PolarHBondContact OE1-N 2.86Å; L455-K457 PolarHBondContact O-N 3.25Å; L455-T460 HydrophobicContact CB-CG2 3.62Å; L455-F469 HydrophobicContact CD1-CE1 4Å; L455-F469 HydrophobicContact CD1-CZ 4.45Å; L455-L474 HydrophobicContact CD1-CD1 4.16Å; L455-Y518 HydrophobicContact CD2-CD1 3.65Å; L455-Y518 HydrophobicContact CD2-CE1 3.31Å; L455-Y518 HydrophobicContact CD2-CG 4.42Å; L455-Y518 HydrophobicContact CG-CE1 4.22Å
456	P	97.1	Very high	95.8	Very high	29 Å²	29	64.3 Å²	64.3	19%	0.188	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-58.9	130	179.6	-27.2	35.4	0	0	0	113.2	C458 M459 T460 Y518 I519	P456-C458 VanDerWaalsContact CB-SG 3.51Å; P456-C458 PolarHBondContact O-N 3.21Å; P456-C458 VanDerWaalsContact O-N 3.11Å; P456-M459 HydrophobicContact CB-CG 4.28Å; P456-M459 HydrophobicContact CB-SD 4.25Å; P456-M459 HydrophobicContact CG-SD 4.02Å; P456-M459 WeakPolarHBondContact O-CB 3.5Å; P456-M459 PolarHBondContact O-N 2.57Å; P456-T460 PolarHBondContact O-N 3.45Å; P456-T460 VanDerWaalsContact O-N 3.1Å; P456-Y518 HydrophobicContact CG-CD2 4.21Å; P456-Y518 HydrophobicContact CG-CG 4.18Å; P456-I519 HydrophobicContact CB-CD1 4.29Å; P456-I519 HydrophobicContact CB-CG1 4.3Å; P456-I519 HydrophobicContact CG-CD1 4.34Å; P456-I519 HydrophobicContact CG-CG1 4.04Å
457	K	95.4	Very high	95.7	Very high	151 Å²	151	72.4 Å²	72.4	66%	0.657	34%	0.34	S	S	*	.	H	α-helix	trans	-60.2	-24.4	-179.3	-69.3	178.6	-176.3	169.1	0	113.8	L455 M459 K461	L455-K457 PolarHBondContact O-N 3.25Å; K457-M459 VanDerWaalsContact C-N 3.34Å; K457-K461 VanDerWaalsContact O-CB 3.3Å; K457-K461 WeakPolarHBondContact O-CB 3.37Å; K457-K461 WeakPolarHBondContact O-CD 3.47Å; K457-K461 WeakPolarHBondContact O-CG 3.33Å; K457-K461 PolarHBondContact O-N 3.14Å
458	C	95.2	Very high	95.6	Very high	76 Å²	76	72.8 Å²	72.8	51%	0.514	34%	0.342	S	S	.	.	H	α-helix	trans	-63	-41.3	172.8	49.3	0	0	0	0	111.2	P456 V462	P456-C458 VanDerWaalsContact CB-SG 3.51Å; P456-C458 PolarHBondContact O-N 3.21Å; P456-C458 VanDerWaalsContact O-N 3.11Å; C458-V462 VanDerWaalsContact O-CG2 3.32Å; C458-V462 WeakPolarHBondContact O-CG2 3.44Å
459	M	96.9	Very high	95.5	Very high	11 Å²	11	74 Å²	74	5%	0.054	35%	0.347	C	S	.	.	H	α-helix	trans	-74.8	-48.7	177.6	-60	176.6	90.6	0	0	111.8	P405 E406 M409 L411 P456 K457 K461 V462 S463 Y518 I519	P405-M459 HydrophobicContact CB-CE 4.38Å; P405-M459 HydrophobicContact CG-CE 4.42Å; E406-M459 HydrophobicContact CB-CE 4.21Å; M409-M459 HydrophobicContact CE-CB 3.94Å; M409-M459 HydrophobicContact CE-CE 3.61Å; M409-M459 HydrophobicContact CE-SD 4.13Å; M409-M459 HydrophobicContact SD-CB 4.13Å; L411-M459 HydrophobicContact CD1-CB 3.77Å; L411-M459 HydrophobicContact CD1-CE 3.75Å; L411-M459 HydrophobicContact CD1-CG 3.98Å; P456-M459 HydrophobicContact CB-CG 4.28Å; P456-M459 HydrophobicContact CB-SD 4.25Å; P456-M459 HydrophobicContact CG-SD 4.02Å; P456-M459 WeakPolarHBondContact O-CB 3.5Å; P456-M459 PolarHBondContact O-N 2.57Å; K457-M459 VanDerWaalsContact C-N 3.34Å; M459-K461 VanDerWaalsContact C-N 3.31Å; M459-K461 PolarHBondContact O-N 3.35Å; M459-V462 PolarHBondContact O-N 2.87Å; M459-S463 PolarHBondContact O-N 3.45Å; M459-S463 VanDerWaalsContact O-N 3.09Å; M459-Y518 WeakPolarHBondContact CE-O 3.24Å; M459-I519 HydrophobicContact SD-CG1 4.38Å
460	T	96.2	Very high	95.3	Very high	8 Å²	8	79 Å²	79	5%	0.049	36%	0.364	C	S	.	.	H	α-helix	trans	-66	-30.6	-174.5	68.8	0	0	0	0	113.3	L455 P456 F469 G472	L455-T460 HydrophobicContact CB-CG2 3.62Å; P456-T460 PolarHBondContact O-N 3.45Å; P456-T460 VanDerWaalsContact O-N 3.1Å; T460-F469 HydrophobicContact CG2-CD1 3.79Å; T460-F469 HydrophobicContact CG2-CE1 3.49Å; T460-F469 VanDerWaalsContact CG2-CE1 3.49Å; T460-F469 HydrophobicContact CG2-CZ 4.12Å; T460-G472 PolarHBondContact OG1-O 3.11Å
461	K	93.6	Very high	95	Very high	161 Å²	161	83.9 Å²	83.9	70%	0.7	39%	0.39	S	S	*	.	H	α-helix	trans	-70.5	-32.7	177.1	-77.3	176.9	177.7	-175.5	0	113.9	K457 M459	K457-K461 VanDerWaalsContact O-CB 3.3Å; K457-K461 WeakPolarHBondContact O-CB 3.37Å; K457-K461 WeakPolarHBondContact O-CD 3.47Å; K457-K461 WeakPolarHBondContact O-CG 3.33Å; K457-K461 PolarHBondContact O-N 3.14Å; M459-K461 VanDerWaalsContact C-N 3.31Å; M459-K461 PolarHBondContact O-N 3.35Å
462	V	93.9	Very high	94.5	Very high	103 Å²	103	84.9 Å²	84.9	62%	0.624	40%	0.4	S	S	*	.	H	α-helix	trans	-105	-3.7	-173.3	-52.4	0	0	0	0	113.5	L411 C458 M459 R464	L411-V462 HydrophobicContact CD2-CG2 3.78Å; C458-V462 VanDerWaalsContact O-CG2 3.32Å; C458-V462 WeakPolarHBondContact O-CG2 3.44Å; M459-V462 PolarHBondContact O-N 2.87Å; V462-R464 PolarHBondContact O-N 3.48Å
463	S	94.3	Very high	94.3	Very high	2 Å²	2	92 Å²	92	1%	0.014	42%	0.424	C	S	.	.			trans	-54.4	130.6	175.2	-179.7	0	0	0	0	113.1	M409 M459 R465 R466	M409-S463 WeakPolarHBondContact CB-OG 3.47Å; M409-S463 PolarHBondContact O-OG 2.69Å; M459-S463 PolarHBondContact O-N 3.45Å; M459-S463 VanDerWaalsContact O-N 3.09Å; S463-R465 PolarHBondContact O-N 3.16Å; S463-R465 PolarHBondContact OG-N 3.38Å; S463-R465 VanDerWaalsContact OG-N 3.11Å; S463-R466 WeakPolarHBondContact O-CG 3.44Å
464	R	93.7	Very high	94.2	Very high	181 Å²	181	91 Å²	91	68%	0.683	41%	0.411	S	S	*	.	S	Bend	trans	-66.7	-24.7	171.6	-58	-179.7	-179	-166	-0.8	111.2	M409 E410 V462 R466	M409-R464 PolarHBondContact O-N 3.31Å; E410-R464 HydrophobicContact CB-CB 4.05Å; E410-R464 HydrophobicContact CB-CG 4.36Å; E410-R464 VanDerWaalsContact O-CD 3.27Å; E410-R464 WeakPolarHBondContact O-CD 3.2Å; E410-R464 WeakPolarHBondContact O-CG 3.34Å; V462-R464 PolarHBondContact O-N 3.48Å; R464-R466 PolarHBondContact O-N 3.22Å
465	R	94	Very high	94.2	Very high	67 Å²	67	89 Å²	89	25%	0.253	40%	0.395	S	S	.	.			trans	-79.7	46.9	175.4	-60.5	-60.9	-167.3	162.3	-2.3	113.2	E410 S463 R467 Y468	E410-R465 HydrophobicContact CG-CG 4.28Å; E410-R465 IonicContact OE1-CZ 3.26Å; E410-R465 IonicContact OE1-NE 3.09Å; E410-R465 PolarHBondContact OE1-NE 2.99Å; E410-R465 IonicContact OE1-NH2 2.66Å; E410-R465 PolarHBondContact OE1-NH2 3.49Å; E410-R465 IonicContact OE2-CZ 2.88Å; E410-R465 IonicContact OE2-NE 3.84Å; E410-R465 PolarHBondContact OE2-NE 3.37Å; E410-R465 VanDerWaalsContact OE2-NE 3.12Å; S463-R465 PolarHBondContact O-N 3.16Å; S463-R465 PolarHBondContact OG-N 3.38Å; S463-R465 VanDerWaalsContact OG-N 3.11Å; R465-R467 PolarHBondContact O-N 3.36Å; R465-Y468 HydrophobicContact CB-CD2 3.46Å; R465-Y468 VanDerWaalsContact CB-CD2 3.46Å; R465-Y468 HydrophobicContact CB-CE2 3.57Å; R465-Y468 HydrophobicContact CB-CG 4.24Å; R465-Y468 HydrophobicContact CG-CD2 4.16Å; R465-Y468 HydrophobicContact CG-CE2 3.77Å; R465-Y468 WeakPolarHBondContact O-CB 3.3Å; R465-Y468 PolarHBondContact O-N 3.49Å
466	R	91.8	Very high	93.9	Very high	204 Å²	204	91.2 Å²	91.2	77%	0.77	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-45.6	-35.1	-176.2	-64.1	-173.1	177.9	-161	-0.2	115	S463 R464 Y468 F469	S463-R466 WeakPolarHBondContact O-CG 3.44Å; R464-R466 PolarHBondContact O-N 3.22Å; R466-Y468 PolarHBondContact O-N 2.76Å; R466-Y468 VanDerWaalsContact O-N 3.15Å; R466-F469 PolarHBondContact O-N 3.1Å; R466-F469 VanDerWaalsContact O-N 3.08Å; R466-F469 VanDerWaalsContact O-O 3.14Å
467	R	95.2	Very high	93.7	Very high	175 Å²	175	93.1 Å²	93.1	66%	0.66	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-62.2	-15.1	178.1	73.7	179.9	-173.9	177.8	4.4	115.2	R465 F469	R465-R467 PolarHBondContact O-N 3.36Å; R467-F469 VanDerWaalsContact C-N 3.34Å
468	Y	96.1	Very high	93.3	Very high	11 Å²	11	90.5 Å²	90.5	4%	0.043	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-86.6	-7.2	176.4	-60	-24.2	0	0	0	112.6	N441 L442 L445 R465 R466 L474 D475	N441-Y468 HydrophobicContact CB-CE2 3.73Å; N441-Y468 WeakPolarHBondContact CB-OH 3.17Å; L442-Y468 HydrophobicContact CB-CD1 4.03Å; L442-Y468 HydrophobicContact CB-CE1 4.23Å; L442-Y468 HydrophobicContact CD1-CD1 3.89Å; L442-Y468 HydrophobicContact CD1-CG 3.94Å; L442-Y468 HydrophobicContact CG-CD1 4.42Å; L445-Y468 HydrophobicContact CD1-CD2 3.9Å; R465-Y468 HydrophobicContact CB-CD2 3.46Å; R465-Y468 VanDerWaalsContact CB-CD2 3.46Å; R465-Y468 HydrophobicContact CB-CE2 3.57Å; R465-Y468 HydrophobicContact CB-CG 4.24Å; R465-Y468 HydrophobicContact CG-CD2 4.16Å; R465-Y468 HydrophobicContact CG-CE2 3.77Å; R465-Y468 WeakPolarHBondContact O-CB 3.3Å; R465-Y468 PolarHBondContact O-N 3.49Å; R466-Y468 PolarHBondContact O-N 2.76Å; R466-Y468 VanDerWaalsContact O-N 3.15Å; Y468-L474 CarbonylContact O-C 3.57Å; Y468-L474 WeakPolarHBondContact O-CA 3.32Å; Y468-D475 PolarHBondContact O-N 3.37Å
469	F	95.7	Very high	93	Very high	26 Å²	26	90.7 Å²	90.7	11%	0.114	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.7	-172	-57.4	-73.3	0	0	0	112.5	M409 L445 L455 T460 R466 R467 R473 L474	M409-F469 HydrophobicContact CG-CE2 4.11Å; M409-F469 HydrophobicContact CG-CZ 3.89Å; M409-F469 HydrophobicContact SD-CE2 4.13Å; M409-F469 HydrophobicContact SD-CZ 3.59Å; M409-F469 VanDerWaalsContact SD-CZ 3.59Å; L445-F469 HydrophobicContact CD1-CZ 3.92Å; L455-F469 HydrophobicContact CD1-CE1 4Å; L455-F469 HydrophobicContact CD1-CZ 4.45Å; T460-F469 HydrophobicContact CG2-CD1 3.79Å; T460-F469 HydrophobicContact CG2-CE1 3.49Å; T460-F469 VanDerWaalsContact CG2-CE1 3.49Å; T460-F469 HydrophobicContact CG2-CZ 4.12Å; R466-F469 PolarHBondContact O-N 3.1Å; R466-F469 VanDerWaalsContact O-N 3.08Å; R466-F469 VanDerWaalsContact O-O 3.14Å; R467-F469 VanDerWaalsContact C-N 3.34Å; F469-R473 CarbonylContact C-O 3.6Å; F469-R473 WeakPolarHBondContact CA-O 3.47Å; F469-L474 HydrophobicContact CD1-CD1 4.14Å; F469-L474 HydrophobicContact CE1-CD1 3.62Å; F469-L474 HydrophobicContact CZ-CD1 4.23Å
470	R	92.1	Very high	92.7	Very high	157 Å²	157	91.3 Å²	91.3	59%	0.592	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.4	176.3	-157.9	175.7	-174.6	169	3.2	109.3	G472 R473 D475	R470-G472 PolarHBondContact O-N 2.95Å; R470-G472 VanDerWaalsContact O-N 3.13Å; R470-R473 PolarHBondContact N-O 2.98Å; R470-R473 PolarHBondContact O-N 3.46Å; R470-D475 HydrophobicContact CB-CB 4.03Å; R470-D475 WeakPolarHBondContact CD-OD1 3.49Å
471	H	89	Confident	92.4	Very high	185 Å²	185	94 Å²	94	86%	0.856	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	33.4	-173.1	-51.2	-72	0	0	0	114.1	R473	H471-R473 VanDerWaalsContact C-N 3.31Å; H471-R473 PolarHBondContact O-N 3.09Å
472	G	87.6	Confident	92.2	Very high	24 Å²	24	90 Å²	90	25%	0.247	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	5.2	179.8	0	0	0	0	0	115.7	T460 R470	T460-G472 PolarHBondContact OG1-O 3.11Å; R470-G472 PolarHBondContact O-N 2.95Å; R470-G472 VanDerWaalsContact O-N 3.13Å
473	R	92.1	Very high	92	Very high	198 Å²	198	85.4 Å²	85.4	75%	0.747	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	160.1	169.6	-63.1	-175.6	177.5	-170.4	-1.6	110.1	F469 R470 H471 D475	F469-R473 CarbonylContact C-O 3.6Å; F469-R473 WeakPolarHBondContact CA-O 3.47Å; R470-R473 PolarHBondContact N-O 2.98Å; R470-R473 PolarHBondContact O-N 3.46Å; H471-R473 VanDerWaalsContact C-N 3.31Å; H471-R473 PolarHBondContact O-N 3.09Å; R473-D475 PolarHBondContact O-N 3.43Å
474	L	95	Very high	91.9	Very high	16 Å²	16	92 Å²	92	8%	0.084	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	132.1	173.9	-159.3	71.7	0	0	0	110.6	L442 L445 A446 L455 Y468 F469 W476	L442-L474 HydrophobicContact CD1-CD1 3.79Å; L442-L474 HydrophobicContact CD1-CD2 4.5Å; L442-L474 HydrophobicContact CD1-CG 3.93Å; L445-L474 HydrophobicContact CB-CD1 3.66Å; L445-L474 HydrophobicContact CB-CD2 4.05Å; L445-L474 HydrophobicContact CD1-CD1 3.87Å; L445-L474 HydrophobicContact CG-CD1 4.42Å; A446-L474 HydrophobicContact CB-CD2 3.72Å; L455-L474 HydrophobicContact CD1-CD1 4.16Å; Y468-L474 CarbonylContact O-C 3.57Å; Y468-L474 WeakPolarHBondContact O-CA 3.32Å; F469-L474 HydrophobicContact CD1-CD1 4.14Å; F469-L474 HydrophobicContact CE1-CD1 3.62Å; F469-L474 HydrophobicContact CZ-CD1 4.23Å; L474-W476 HydrophobicContact CB-CB 4.43Å; L474-W476 HydrophobicContact CD2-CB 3.85Å; L474-W476 HydrophobicContact CD2-CG 4.37Å; L474-W476 HydrophobicContact CG-CB 4.03Å; L474-W476 PolarHBondContact O-N 2.93Å
475	D	94.9	Very high	91.8	Very high	77 Å²	77	87.1 Å²	87.1	41%	0.412	41%	0.41	S	S	.	.			trans	-81.2	62.3	177.7	-161.4	28.8	0	0	0	110.3	Y468 R470 R473	Y468-D475 PolarHBondContact O-N 3.37Å; R470-D475 HydrophobicContact CB-CB 4.03Å; R470-D475 WeakPolarHBondContact CD-OD1 3.49Å; R473-D475 PolarHBondContact O-N 3.43Å
476	W	93	Very high	91.7	Very high	53 Å²	53	84.1 Å²	84.1	20%	0.201	40%	0.399	C	S	.	.			trans	-122.9	113.6	-172.7	-175.3	-103.1	0	0	0	110.5	L442 E443 A446 L474 P478 E482 S483 V486	L442-W476 HydrophobicContact CD2-CE3 3.86Å; L442-W476 HydrophobicContact CD2-CZ3 4.24Å; L442-W476 HydrophobicContact CG-CE3 3.72Å; L442-W476 HydrophobicContact CG-CZ3 4.09Å; E443-W476 HydrophobicContact CB-CH2 3.65Å; E443-W476 HydrophobicContact CB-CZ3 4.09Å; E443-W476 HydrophobicContact CG-CH2 3.83Å; E443-W476 HydrophobicContact CG-CZ2 4.34Å; A446-W476 HydrophobicContact CB-CD2 3.57Å; A446-W476 HydrophobicContact CB-CE3 4.23Å; A446-W476 HydrophobicContact CB-CG 3.74Å; A446-W476 HydrophobicContact CB-CH2 4.46Å; A446-W476 HydrophobicContact CB-CZ2 3.88Å; L474-W476 HydrophobicContact CB-CB 4.43Å; L474-W476 HydrophobicContact CD2-CB 3.85Å; L474-W476 HydrophobicContact CD2-CG 4.37Å; L474-W476 HydrophobicContact CG-CB 4.03Å; L474-W476 PolarHBondContact O-N 2.93Å; W476-P478 VanDerWaalsContact O-CD 3.28Å; W476-P478 WeakPolarHBondContact O-CD 3.41Å; W476-E482 HydrophobicContact CH2-CB 3.4Å; W476-E482 VanDerWaalsContact CH2-CB 3.4Å; W476-E482 HydrophobicContact CH2-CG 4.24Å; W476-E482 HydrophobicContact CZ2-CB 3.5Å; W476-E482 HydrophobicContact CZ3-CB 4.43Å; W476-S483 PolarHBondContact NE1-OG 3.26Å; W476-V486 HydrophobicContact CZ2-CG2 4.11Å
477	S	91.5	Very high	91.7	Very high	70 Å²	70	80.9 Å²	80.9	49%	0.49	39%	0.387	S	S	.	.			trans	-73.8	117.5	-174.1	177	0	0	0	0	111.8	A479 S480 S483	S477-A479 PolarHBondContact O-N 2.82Å; S477-A479 VanDerWaalsContact O-N 3.1Å; S477-S480 WeakPolarHBondContact O-CB 3.32Å; S477-S480 PolarHBondContact O-N 3.45Å; S477-S480 VanDerWaalsContact O-N 3.09Å; S477-S480 PolarHBondContact O-OG 2.82Å; S477-S483 WeakPolarHBondContact O-CB 3.27Å; S477-S483 PolarHBondContact O-OG 3.09Å
478	P	87.1	Confident	91.5	Very high	95 Å²	95	81.4 Å²	81.4	62%	0.617	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.3	-179.2	-24.5	35.8	0	0	0	114.2	W476 S483 R487	W476-P478 VanDerWaalsContact O-CD 3.28Å; W476-P478 WeakPolarHBondContact O-CD 3.41Å; P478-S483 WeakPolarHBondContact CA-OG 3.36Å; P478-S483 VanDerWaalsContact O-CB 3.24Å; P478-S483 WeakPolarHBondContact O-CB 3.36Å; P478-R487 PolarHBondContact O-NH2 3.26Å
479	A	88.9	Confident	91.2	Very high	81 Å²	81	83.7 Å²	83.7	67%	0.669	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-9.7	-179.6	0	0	0	0	0	114	S477	S477-A479 PolarHBondContact O-N 2.82Å; S477-A479 VanDerWaalsContact O-N 3.1Å
480	S	90.9	Very high	91	Very high	23 Å²	23	82.7 Å²	82.7	16%	0.161	40%	0.4	C	S	.	.	S	Bend	trans	-67.6	165.3	-173.5	93.3	0	0	0	0	113.6	S477 E482 S483 R484	S477-S480 WeakPolarHBondContact O-CB 3.32Å; S477-S480 PolarHBondContact O-N 3.45Å; S477-S480 VanDerWaalsContact O-N 3.09Å; S477-S480 PolarHBondContact O-OG 2.82Å; S480-E482 VanDerWaalsContact C-N 3.27Å; S480-E482 WeakPolarHBondContact CB-OE2 3.49Å; S480-E482 PolarHBondContact OG-N 3.28Å; S480-E482 PolarHBondContact OG-OE2 3.25Å; S480-S483 PolarHBondContact OG-N 3.3Å; S480-R484 WeakPolarHBondContact O-CG 3.4Å; S480-R484 PolarHBondContact O-N 3.11Å; S480-R484 PolarHBondContact O-NE 3.36Å
481	S	89.8	Confident	91	Very high	64 Å²	64	80.6 Å²	80.6	45%	0.448	40%	0.395	S	S	.	.	H	α-helix	trans	-61.2	-38.9	171.9	13.4	0	0	0	0	111.9	R484 Y485	S481-R484 CarbonylContact O-C 3.51Å; S481-R484 WeakPolarHBondContact O-CB 3.46Å; S481-R484 PolarHBondContact O-N 3.12Å; S481-Y485 PolarHBondContact O-N 2.96Å
482	E	89.6	Confident	91.3	Very high	78 Å²	78	73.8 Å²	73.8	36%	0.364	37%	0.367	S	S	.	.	H	α-helix	trans	-71.2	-43.7	-176.9	-52.5	65	-131.5	0	0	109.1	W476 S480 R484 Y485 V486	W476-E482 HydrophobicContact CH2-CB 3.4Å; W476-E482 VanDerWaalsContact CH2-CB 3.4Å; W476-E482 HydrophobicContact CH2-CG 4.24Å; W476-E482 HydrophobicContact CZ2-CB 3.5Å; W476-E482 HydrophobicContact CZ3-CB 4.43Å; S480-E482 VanDerWaalsContact C-N 3.27Å; S480-E482 WeakPolarHBondContact CB-OE2 3.49Å; S480-E482 PolarHBondContact OG-N 3.28Å; S480-E482 PolarHBondContact OG-OE2 3.25Å; E482-R484 PolarHBondContact O-N 3.39Å; E482-Y485 CarbonylContact O-C 3.59Å; E482-Y485 WeakPolarHBondContact O-CA 3.18Å; E482-Y485 WeakPolarHBondContact O-CB 3.48Å; E482-Y485 PolarHBondContact O-N 3.18Å; E482-V486 WeakPolarHBondContact O-CG2 3.35Å; E482-V486 PolarHBondContact O-N 3.45Å
483	S	90	Very high	91.6	Very high	7 Å²	7	73 Å²	73	5%	0.049	36%	0.358	C	S	.	.	H	α-helix	trans	-56.2	-32.9	168	-88.7	0	0	0	0	114.4	W476 S477 P478 S480 R487	W476-S483 PolarHBondContact NE1-OG 3.26Å; S477-S483 WeakPolarHBondContact O-CB 3.27Å; S477-S483 PolarHBondContact O-OG 3.09Å; P478-S483 WeakPolarHBondContact CA-OG 3.36Å; P478-S483 VanDerWaalsContact O-CB 3.24Å; P478-S483 WeakPolarHBondContact O-CB 3.36Å; S480-S483 PolarHBondContact OG-N 3.3Å; S483-R487 WeakPolarHBondContact O-CB 3.47Å; S483-R487 VanDerWaalsContact O-CG 3.32Å; S483-R487 WeakPolarHBondContact O-CG 3.3Å; S483-R487 PolarHBondContact O-N 3.06Å; S483-R487 PolarHBondContact O-NE 2.82Å; S483-R487 VanDerWaalsContact O-NE 3.11Å
484	R	92.1	Very high	91.5	Very high	140 Å²	140	65.2 Å²	65.2	53%	0.528	34%	0.338	S	S	.	.	H	α-helix	trans	-83.7	-13.7	174.9	-70.7	-179.3	-68.5	138.1	-3.4	113.4	S480 S481 E482 R488	S480-R484 WeakPolarHBondContact O-CG 3.4Å; S480-R484 PolarHBondContact O-N 3.11Å; S480-R484 PolarHBondContact O-NE 3.36Å; S481-R484 CarbonylContact O-C 3.51Å; S481-R484 WeakPolarHBondContact O-CB 3.46Å; S481-R484 PolarHBondContact O-N 3.12Å; E482-R484 PolarHBondContact O-N 3.39Å; R484-R488 PolarHBondContact O-NH2 3.17Å
485	Y	91.3	Very high	91.2	Very high	78 Å²	78	67.9 Å²	67.9	31%	0.306	35%	0.353	S	S	.	.	H	α-helix	trans	-81.7	-57.1	168.6	167.7	-109	0	0	0	109.4	M437 S481 E482 R487 R488 V489	M437-Y485 PolarHBondContact O-OH 3.21Å; S481-Y485 PolarHBondContact O-N 2.96Å; E482-Y485 CarbonylContact O-C 3.59Å; E482-Y485 WeakPolarHBondContact O-CA 3.18Å; E482-Y485 WeakPolarHBondContact O-CB 3.48Å; E482-Y485 PolarHBondContact O-N 3.18Å; Y485-R487 VanDerWaalsContact C-N 3.35Å; Y485-R487 PolarHBondContact O-N 3.36Å; Y485-R488 WeakPolarHBondContact O-CA 3.49Å; Y485-R488 WeakPolarHBondContact O-CB 3.41Å; Y485-R488 PolarHBondContact O-N 3.28Å; Y485-V489 HydrophobicContact CD2-CG1 3.88Å; Y485-V489 HydrophobicContact CE1-CG2 4.3Å; Y485-V489 HydrophobicContact CE2-CG1 3.44Å; Y485-V489 VanDerWaalsContact CE2-CG1 3.44Å; Y485-V489 HydrophobicContact CE2-CG2 4.39Å; Y485-V489 PolarHBondContact O-N 2.9Å
486	V	92.1	Very high	90.8	Very high	5 Å²	5	65.8 Å²	65.8	3%	0.03	34%	0.339	C	S	.	.	H	α-helix	trans	-51.2	-49	178.7	172.6	0	0	0	0	112	E443 M447 R450 W476 E482 R488 V489 L490	E443-V486 HydrophobicContact CG-CG2 4.13Å; M447-V486 HydrophobicContact CG-CB 4.46Å; M447-V486 HydrophobicContact CG-CG1 4Å; M447-V486 HydrophobicContact CG-CG2 3.76Å; R450-V486 HydrophobicContact CB-CG1 3.73Å; R450-V486 HydrophobicContact CG-CG1 3.94Å; W476-V486 HydrophobicContact CZ2-CG2 4.11Å; E482-V486 WeakPolarHBondContact O-CG2 3.35Å; E482-V486 PolarHBondContact O-N 3.45Å; V486-R488 PolarHBondContact O-N 3.02Å; V486-R488 VanDerWaalsContact O-N 3.17Å; V486-V489 PolarHBondContact O-N 2.84Å; V486-L490 WeakPolarHBondContact O-CB 3.01Å; V486-L490 PolarHBondContact O-N 3.47Å
487	R	91.7	Very high	90.4	Very high	136 Å²	136	66.5 Å²	66.5	51%	0.513	34%	0.342	S	S	.	.	H	α-helix	trans	-63.4	-20.1	178.2	-76.7	-173.9	-75.4	161.9	-12.9	115.1	P478 S483 Y485	P478-R487 PolarHBondContact O-NH2 3.26Å; S483-R487 WeakPolarHBondContact O-CB 3.47Å; S483-R487 VanDerWaalsContact O-CG 3.32Å; S483-R487 WeakPolarHBondContact O-CG 3.3Å; S483-R487 PolarHBondContact O-N 3.06Å; S483-R487 PolarHBondContact O-NE 2.82Å; S483-R487 VanDerWaalsContact O-NE 3.11Å; Y485-R487 VanDerWaalsContact C-N 3.35Å; Y485-R487 PolarHBondContact O-N 3.36Å
488	R	90.9	Very high	90.1	Very high	185 Å²	185	71.6 Å²	71.6	70%	0.698	36%	0.356	S	S	*	.	H	α-helix	trans	-92	-39.5	-178.3	-169.8	-166.6	-41.3	157.3	17.2	112	R484 Y485 V486	R484-R488 PolarHBondContact O-NH2 3.17Å; Y485-R488 WeakPolarHBondContact O-CA 3.49Å; Y485-R488 WeakPolarHBondContact O-CB 3.41Å; Y485-R488 PolarHBondContact O-N 3.28Å; V486-R488 PolarHBondContact O-N 3.02Å; V486-R488 VanDerWaalsContact O-N 3.17Å
489	V	89.2	Confident	90	Very high	60 Å²	60	71.3 Å²	71.3	36%	0.364	36%	0.356	S	S	.	.	H	α-helix	trans	-83.9	-24.5	-179.1	-59.2	0	0	0	0	112.7	M447 Y485 V486	M447-V489 HydrophobicContact CE-CG2 4.27Å; Y485-V489 HydrophobicContact CD2-CG1 3.88Å; Y485-V489 HydrophobicContact CE1-CG2 4.3Å; Y485-V489 HydrophobicContact CE2-CG1 3.44Å; Y485-V489 VanDerWaalsContact CE2-CG1 3.44Å; Y485-V489 HydrophobicContact CE2-CG2 4.39Å; Y485-V489 PolarHBondContact O-N 2.9Å; V486-V489 PolarHBondContact O-N 2.84Å
490	L	92.3	Very high	89.8	Confident	4 Å²	4	69.4 Å²	69.4	2%	0.021	33%	0.334	C	S	.	.			trans	-130.1	134	-171.9	-158	58.5	0	0	0	112.2	L435 F436 M447 R450 L451 V486	L435-L490 HydrophobicContact CD1-CD1 3.84Å; F436-L490 HydrophobicContact CD1-CD2 4.46Å; F436-L490 HydrophobicContact CE1-CD2 4.21Å; M447-L490 HydrophobicContact CB-CD2 3.81Å; M447-L490 HydrophobicContact CE-CD2 4.15Å; M447-L490 HydrophobicContact CG-CD2 4.42Å; M447-L490 WeakPolarHBondContact O-CD2 3.45Å; R450-L490 HydrophobicContact CG-CB 4.06Å; R450-L490 HydrophobicContact CG-CG 4.36Å; R450-L490 WeakPolarHBondContact CG-O 3.31Å; R450-L490 PolarHBondContact NE-O 3.12Å; R450-L490 PolarHBondContact NH2-O 2.93Å; L451-L490 HydrophobicContact CB-CD2 4.06Å; L451-L490 HydrophobicContact CB-CG 4.32Å; L451-L490 HydrophobicContact CD1-CD1 4.1Å; L451-L490 HydrophobicContact CD1-CG 4.42Å; V486-L490 WeakPolarHBondContact O-CB 3.01Å; V486-L490 PolarHBondContact O-N 3.47Å
491	K	92.1	Very high	89.7	Confident	113 Å²	113	73.8 Å²	73.8	49%	0.491	37%	0.365	S	S	.	.			trans	-108.9	162.8	172.9	-62.3	-178.6	-176.2	179	0	109.7	L451 D495 Y496	L451-K491 WeakPolarHBondContact CD1-O 3.32Å; K491-D495 HydrophobicContact CB-CB 4.18Å; K491-D495 HydrophobicContact CD-CB 4.33Å; K491-Y496 HydrophobicContact CB-CE2 3.84Å
492	P	95	Very high	89.8	Confident	42 Å²	42	73 Å²	73	27%	0.273	36%	0.356	S	S	.	.			trans	-55.4	143.6	166.8	-22.7	35.1	0	0	0	110.9	L451 G494 D495 Y496	L451-P492 CarbonylContact O-C 3.58Å; L451-P492 WeakPolarHBondContact O-CA 3.33Å; P492-G494 PolarHBondContact O-N 3.01Å; P492-D495 WeakPolarHBondContact O-CB 3.45Å; P492-D495 PolarHBondContact O-N 2.8Å; P492-Y496 WeakPolarHBondContact O-CD2 3.49Å
493	L	93.2	Very high	90	Very high	9 Å²	9	73.5 Å²	73.5	5%	0.047	36%	0.361	C	S	.	.	H	α-helix	trans	-60.3	-33.4	-177	-174.7	57.9	0	0	0	112.1	L451 L452 D495 Y496 W497 F509 V512 K513	L451-L493 HydrophobicContact CD1-CB 3.82Å; L451-L493 HydrophobicContact CD1-CD1 4.23Å; L451-L493 HydrophobicContact CG-CB 4.09Å; L451-L493 PolarHBondContact O-N 3.1Å; L452-L493 HydrophobicContact CD2-CD2 4.03Å; L493-D495 PolarHBondContact O-N 2.83Å; L493-Y496 WeakPolarHBondContact O-CB 3.48Å; L493-Y496 PolarHBondContact O-N 3.05Å; L493-W497 PolarHBondContact O-N 3.44Å; L493-F509 HydrophobicContact CD1-CD1 3.98Å; L493-V512 HydrophobicContact CD1-CG1 4.1Å; L493-V512 HydrophobicContact CD2-CG1 4.05Å; L493-K513 HydrophobicContact CD2-CB 3.63Å; L493-K513 HydrophobicContact CD2-CG 4.32Å
494	G	90.1	Very high	90.3	Very high	33 Å²	33	77.8 Å²	77.8	34%	0.34	38%	0.376	S	S	.	.	H	α-helix	trans	-58	-31.7	174.3	0	0	0	0	0	114	P492 Y496 W497 F498	P492-G494 PolarHBondContact O-N 3.01Å; G494-Y496 PolarHBondContact O-N 2.77Å; G494-W497 WeakPolarHBondContact O-CB 3.49Å; G494-W497 PolarHBondContact O-N 3.48Å; G494-W497 VanDerWaalsContact O-N 3.14Å; G494-F498 WeakPolarHBondContact O-CD2 3.43Å; G494-F498 PolarHBondContact O-N 2.86Å
495	D	90.3	Very high	90.5	Very high	72 Å²	72	74.6 Å²	74.6	39%	0.385	37%	0.366	S	S	.	.	H	α-helix	trans	-62.7	-35.2	176.6	-67.8	14	0	0	0	110.9	K491 P492 L493 S499	K491-D495 HydrophobicContact CB-CB 4.18Å; K491-D495 HydrophobicContact CD-CB 4.33Å; P492-D495 WeakPolarHBondContact O-CB 3.45Å; P492-D495 PolarHBondContact O-N 2.8Å; L493-D495 PolarHBondContact O-N 2.83Å; D495-S499 WeakPolarHBondContact O-CB 3.43Å; D495-S499 PolarHBondContact O-N 2.83Å; D495-S499 PolarHBondContact O-OG 2.93Å
496	Y	86.3	Confident	90.7	Very high	34 Å²	34	74.4 Å²	74.4	13%	0.133	37%	0.365	C	S	.	.	H	α-helix	trans	-70.6	-35	177	-62.2	-101.5	0	0	0	111.4	Y427 K491 P492 L493 G494 N500 F509	Y427-Y496 HydrophobicContact CE2-CD1 4.22Å; Y427-Y496 AromaticContact CE2-CE1 3.81Å; Y427-Y496 HydrophobicContact CE2-CE1 3.81Å; Y427-Y496 HydrophobicContact CE2-CE2 4.47Å; Y427-Y496 AromaticContact CE2-CZ 3.95Å; Y427-Y496 WeakPolarHBondContact OH-CE1 3.35Å; Y427-Y496 PolarHBondContact OH-OH 2.99Å; K491-Y496 HydrophobicContact CB-CE2 3.84Å; P492-Y496 WeakPolarHBondContact O-CD2 3.49Å; L493-Y496 WeakPolarHBondContact O-CB 3.48Å; L493-Y496 PolarHBondContact O-N 3.05Å; G494-Y496 PolarHBondContact O-N 2.77Å; Y496-N500 PolarHBondContact O-ND2 3.13Å; Y496-F509 HydrophobicContact CD1-CE1 4.18Å; Y496-F509 AromaticContact CD1-CZ 3.96Å; Y496-F509 HydrophobicContact CD1-CZ 3.96Å; Y496-F509 HydrophobicContact CG-CE1 4.33Å; Y496-F509 HydrophobicContact CG-CZ 4.34Å
497	W	83.6	Confident	90.9	Very high	68 Å²	68	75.4 Å²	75.4	26%	0.258	37%	0.37	S	S	.	.	H	α-helix	trans	-64.8	-53.2	171.8	179.4	-88.4	0	0	0	111.6	L493 G494 S499 R506 L507 D510	L493-W497 PolarHBondContact O-N 3.44Å; G494-W497 WeakPolarHBondContact O-CB 3.49Å; G494-W497 PolarHBondContact O-N 3.48Å; G494-W497 VanDerWaalsContact O-N 3.14Å; W497-S499 PolarHBondContact O-N 3.1Å; W497-R506 HydrophobicContact CD2-CB 4.07Å; W497-R506 HydrophobicContact CD2-CG 4.32Å; W497-R506 VanDerWaalsContact CE3-C 3.47Å; W497-R506 HydrophobicContact CE3-CB 3.81Å; W497-R506 HydrophobicContact CE3-CG 4.48Å; W497-R506 HydrophobicContact CH2-CB 4.14Å; W497-R506 HydrophobicContact CZ2-CB 4.35Å; W497-R506 HydrophobicContact CZ3-CB 3.85Å; W497-R506 WeakPolarHBondContact CZ3-O 3.38Å; W497-R506 WeakPolarHBondContact O-CD 3.47Å; W497-R506 VanDerWaalsContact O-CG 3.26Å; W497-R506 WeakPolarHBondContact O-CG 3.44Å; W497-L507 HydrophobicContact CH2-CD2 4.44Å; W497-D510 HydrophobicContact CE3-CB 4.29Å; W497-D510 HydrophobicContact CH2-CB 4.26Å; W497-D510 WeakPolarHBondContact CH2-OD2 3.19Å; W497-D510 HydrophobicContact CZ3-CB 3.55Å; W497-D510 VanDerWaalsContact CZ3-CG 3.43Å; W497-D510 WeakPolarHBondContact CZ3-OD2 3.19Å
498	F	85	Confident	91.1	Very high	176 Å²	176	69 Å²	69	77%	0.772	35%	0.346	S	S	*	.	H	α-helix	trans	-74.5	-22.4	-174.1	-67	-65.3	0	0	0	114.5	G494	G494-F498 WeakPolarHBondContact O-CD2 3.43Å; G494-F498 PolarHBondContact O-N 2.86Å
499	S	84.8	Confident	91.4	Very high	89 Å²	89	60.5 Å²	60.5	62%	0.622	31%	0.314	S	S	*	.	H	α-helix	trans	-89.9	-8.4	-179	62	0	0	0	0	115.4	D495 W497	D495-S499 WeakPolarHBondContact O-CB 3.43Å; D495-S499 PolarHBondContact O-N 2.83Å; D495-S499 PolarHBondContact O-OG 2.93Å; W497-S499 PolarHBondContact O-N 3.1Å
500	N	85.1	Confident	91.8	Very high	41 Å²	41	59.5 Å²	59.5	22%	0.219	31%	0.307	C	S	.	.			trans	-96.3	118.7	178.2	-82.7	-81.7	0	0	0	111.6	Y496 K505 R506	Y496-N500 PolarHBondContact O-ND2 3.13Å; N500-K505 HydrophobicContact CB-CB 4.26Å; N500-K505 WeakPolarHBondContact OD1-CD 3.49Å; N500-R506 HydrophobicContact CB-CG 4.14Å; N500-R506 WeakPolarHBondContact O-CD 3.3Å; N500-R506 WeakPolarHBondContact O-CG 3.17Å; N500-R506 PolarHBondContact O-NE 3.49Å; N500-R506 VanDerWaalsContact O-NE 3.09Å
501	S	88.8	Confident	92.1	Very high	116 Å²	116	59.3 Å²	59.3	81%	0.811	31%	0.306	S	S	*	.			trans	-66.4	-38.8	171.2	49.6	0	0	0	0	112.2	L503 R506	S501-L503 PolarHBondContact O-N 2.9Å; S501-R506 PolarHBondContact O-NH2 2.82Å
502	D	92.8	Very high	92.3	Very high	47 Å²	47	54 Å²	54	25%	0.251	28%	0.283	S	S	.	.			trans	-57.1	117.6	175.3	-177.6	-23	0	0	0	111.4	Y504 K505 R506	D502-Y504 PolarHBondContact OD1-N 3.08Å; D502-K505 HydrophobicContact CB-CB 4.05Å; D502-K505 HydrophobicContact CB-CD 3.94Å; D502-K505 HydrophobicContact CB-CG 4.1Å; D502-K505 PolarHBondContact OD1-N 3.15Å; D502-K505 VanDerWaalsContact OD1-N 3.14Å; D502-K505 WeakPolarHBondContact OD2-CD 3.45Å; D502-K505 WeakPolarHBondContact OD2-CE 3.38Å; D502-K505 WeakPolarHBondContact OD2-CG 3.44Å; D502-K505 IonicContact OD2-NZ 2.91Å; D502-R506 PolarHBondContact O-N 2.9Å; D502-R506 PolarHBondContact O-NE 3.42Å
503	L	94.2	Very high	92.5	Very high	88 Å²	88	57.8 Å²	57.8	46%	0.461	30%	0.295	S	S	.	.	H	α-helix	trans	-64.7	-39.9	-179.8	177.6	61.8	0	0	0	112.1	S501 R506 L507	S501-L503 PolarHBondContact O-N 2.9Å; L503-R506 WeakPolarHBondContact O-CB 3.47Å; L503-R506 PolarHBondContact O-N 2.93Å; L503-L507 HydrophobicContact CD1-CG 4.42Å; L503-L507 HydrophobicContact CG-CD1 4.32Å; L503-L507 WeakPolarHBondContact O-CG 3.49Å; L503-L507 PolarHBondContact O-N 2.66Å
504	Y	95.4	Very high	92.7	Very high	97 Å²	97	60.5 Å²	60.5	38%	0.38	31%	0.307	S	S	.	.	H	α-helix	trans	-72	-34.1	-176.3	-57.7	-67	0	0	0	111.4	D502 L507 A508 F538	D502-Y504 PolarHBondContact OD1-N 3.08Å; Y504-L507 HydrophobicContact CD1-CD1 4.49Å; Y504-L507 PolarHBondContact O-N 3.09Å; Y504-A508 PolarHBondContact O-N 3.13Å; Y504-F538 AromaticContact CD1-CE2 3.68Å; Y504-F538 HydrophobicContact CD1-CE2 3.68Å; Y504-F538 AromaticContact CD1-CZ 3.71Å; Y504-F538 HydrophobicContact CD1-CZ 3.71Å; Y504-F538 HydrophobicContact CD2-CZ 4.03Å; Y504-F538 HydrophobicContact CE1-CE2 4.32Å; Y504-F538 HydrophobicContact CE1-CZ 4.15Å; Y504-F538 HydrophobicContact CE2-CZ 4.41Å; Y504-F538 AromaticContact CG-CE2 3.91Å; Y504-F538 HydrophobicContact CG-CE2 3.91Å; Y504-F538 AromaticContact CG-CZ 3.64Å; Y504-F538 HydrophobicContact CG-CZ 3.64Å
505	K	95.4	Very high	93.1	Very high	73 Å²	73	58.9 Å²	58.9	32%	0.317	29%	0.291	S	S	.	.	H	α-helix	trans	-64.5	-39.3	169.1	-73.8	179.9	-167.8	169.8	0	112.6	I319 V430 N500 D502 A508 F509	I319-K505 HydrophobicContact CD1-CG 3.93Å; I319-K505 HydrophobicContact CG1-CG 4.18Å; V430-K505 HydrophobicContact CG1-CG 4.46Å; N500-K505 HydrophobicContact CB-CB 4.26Å; N500-K505 WeakPolarHBondContact OD1-CD 3.49Å; D502-K505 HydrophobicContact CB-CB 4.05Å; D502-K505 HydrophobicContact CB-CD 3.94Å; D502-K505 HydrophobicContact CB-CG 4.1Å; D502-K505 PolarHBondContact OD1-N 3.15Å; D502-K505 VanDerWaalsContact OD1-N 3.14Å; D502-K505 WeakPolarHBondContact OD2-CD 3.45Å; D502-K505 WeakPolarHBondContact OD2-CE 3.38Å; D502-K505 WeakPolarHBondContact OD2-CG 3.44Å; D502-K505 IonicContact OD2-NZ 2.91Å; K505-A508 PolarHBondContact O-N 3.16Å; K505-F509 WeakPolarHBondContact O-CD2 3.39Å; K505-F509 PolarHBondContact O-N 3.45Å
506	R	95.6	Very high	93.5	Very high	75 Å²	75	55.6 Å²	55.6	28%	0.283	27%	0.273	S	S	.	.	H	α-helix	trans	-57.8	-57.7	171.7	-75.2	-178	-80.2	153.8	-6.5	109.7	W497 N500 S501 D502 L503 A508 F509 D510	W497-R506 HydrophobicContact CD2-CB 4.07Å; W497-R506 HydrophobicContact CD2-CG 4.32Å; W497-R506 VanDerWaalsContact CE3-C 3.47Å; W497-R506 HydrophobicContact CE3-CB 3.81Å; W497-R506 HydrophobicContact CE3-CG 4.48Å; W497-R506 HydrophobicContact CH2-CB 4.14Å; W497-R506 HydrophobicContact CZ2-CB 4.35Å; W497-R506 HydrophobicContact CZ3-CB 3.85Å; W497-R506 WeakPolarHBondContact CZ3-O 3.38Å; W497-R506 WeakPolarHBondContact O-CD 3.47Å; W497-R506 VanDerWaalsContact O-CG 3.26Å; W497-R506 WeakPolarHBondContact O-CG 3.44Å; N500-R506 HydrophobicContact CB-CG 4.14Å; N500-R506 WeakPolarHBondContact O-CD 3.3Å; N500-R506 WeakPolarHBondContact O-CG 3.17Å; N500-R506 PolarHBondContact O-NE 3.49Å; N500-R506 VanDerWaalsContact O-NE 3.09Å; S501-R506 PolarHBondContact O-NH2 2.82Å; D502-R506 PolarHBondContact O-N 2.9Å; D502-R506 PolarHBondContact O-NE 3.42Å; L503-R506 WeakPolarHBondContact O-CB 3.47Å; L503-R506 PolarHBondContact O-N 2.93Å; R506-A508 PolarHBondContact O-N 3.24Å; R506-A508 VanDerWaalsContact O-N 3.13Å; R506-F509 CarbonylContact O-C 3.59Å; R506-F509 WeakPolarHBondContact O-CA 3.4Å; R506-F509 PolarHBondContact O-N 2.94Å; R506-D510 PolarHBondContact O-N 2.98Å
507	L	96.4	Very high	94.1	Very high	26 Å²	26	55.8 Å²	55.8	14%	0.136	28%	0.278	C	S	.	.	H	α-helix	trans	-53.3	-36.8	178.4	-65.9	176.9	0	0	0	113.3	W497 L503 Y504 D510 L511 H532 P533 F534	W497-L507 HydrophobicContact CH2-CD2 4.44Å; L503-L507 HydrophobicContact CD1-CG 4.42Å; L503-L507 HydrophobicContact CG-CD1 4.32Å; L503-L507 WeakPolarHBondContact O-CG 3.49Å; L503-L507 PolarHBondContact O-N 2.66Å; Y504-L507 HydrophobicContact CD1-CD1 4.49Å; Y504-L507 PolarHBondContact O-N 3.09Å; L507-D510 PolarHBondContact O-N 2.8Å; L507-L511 PolarHBondContact O-N 3.24Å; L507-L511 VanDerWaalsContact O-N 3.16Å; L507-H532 PolarHBondContact O-CE1 3.11Å; L507-H532 VanDerWaalsContact O-CE1 3.28Å; L507-P533 HydrophobicContact CD1-CB 4.34Å; L507-P533 HydrophobicContact CD2-CB 4.22Å; L507-F534 HydrophobicContact CB-CB 3.89Å; L507-F534 HydrophobicContact CB-CD2 4.25Å
508	A	97.1	Very high	94.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.9	-42.6	172.3	0	0	0	0	0	112.7	I319 L426 V430 Y504 K505 R506 L511 V512 F534	I319-A508 HydrophobicContact CD1-CB 3.98Å; L426-A508 HydrophobicContact CD1-CB 4.34Å; V430-A508 HydrophobicContact CG2-CB 4.04Å; Y504-A508 PolarHBondContact O-N 3.13Å; K505-A508 PolarHBondContact O-N 3.16Å; R506-A508 PolarHBondContact O-N 3.24Å; R506-A508 VanDerWaalsContact O-N 3.13Å; A508-L511 PolarHBondContact O-N 3.02Å; A508-V512 WeakPolarHBondContact O-CG2 3.26Å; A508-V512 PolarHBondContact O-N 3.11Å; A508-F534 HydrophobicContact CB-CD1 4.41Å; A508-F534 HydrophobicContact CB-CD2 3.88Å; A508-F534 HydrophobicContact CB-CE1 4.18Å; A508-F534 HydrophobicContact CB-CE2 3.64Å; A508-F534 HydrophobicContact CB-CG 4.27Å; A508-F534 HydrophobicContact CB-CZ 3.79Å
509	F	97	Very high	95.4	Very high	7 Å²	7	46.8 Å²	46.8	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-72	-23.2	176.4	-68.1	-60.1	0	0	0	114.2	Y427 V430 T431 L493 Y496 K505 R506 K513	Y427-F509 HydrophobicContact CD2-CD1 4.43Å; Y427-F509 AromaticContact CD2-CE1 3.79Å; Y427-F509 HydrophobicContact CD2-CE1 3.79Å; Y427-F509 HydrophobicContact CE2-CE1 4.11Å; V430-F509 HydrophobicContact CG1-CE1 4.44Å; V430-F509 HydrophobicContact CG1-CE2 4.11Å; V430-F509 HydrophobicContact CG1-CZ 3.77Å; T431-F509 HydrophobicContact CG2-CE1 4.29Å; T431-F509 HydrophobicContact CG2-CZ 4Å; L493-F509 HydrophobicContact CD1-CD1 3.98Å; Y496-F509 HydrophobicContact CD1-CE1 4.18Å; Y496-F509 AromaticContact CD1-CZ 3.96Å; Y496-F509 HydrophobicContact CD1-CZ 3.96Å; Y496-F509 HydrophobicContact CG-CE1 4.33Å; Y496-F509 HydrophobicContact CG-CZ 4.34Å; K505-F509 WeakPolarHBondContact O-CD2 3.39Å; K505-F509 PolarHBondContact O-N 3.45Å; R506-F509 CarbonylContact O-C 3.59Å; R506-F509 WeakPolarHBondContact O-CA 3.4Å; R506-F509 PolarHBondContact O-N 2.94Å; F509-K513 WeakPolarHBondContact O-CB 3.21Å; F509-K513 PolarHBondContact O-N 3.01Å
510	D	96.7	Very high	96.1	Very high	40 Å²	40	44.1 Å²	44.1	21%	0.214	22%	0.222	C	C	.	.	H	α-helix	trans	-65	-47	165.1	-116.8	-10.5	0	0	0	110.3	W497 R506 L507 V512 K513 E514	W497-D510 HydrophobicContact CE3-CB 4.29Å; W497-D510 HydrophobicContact CH2-CB 4.26Å; W497-D510 WeakPolarHBondContact CH2-OD2 3.19Å; W497-D510 HydrophobicContact CZ3-CB 3.55Å; W497-D510 VanDerWaalsContact CZ3-CG 3.43Å; W497-D510 WeakPolarHBondContact CZ3-OD2 3.19Å; R506-D510 PolarHBondContact O-N 2.98Å; L507-D510 PolarHBondContact O-N 2.8Å; D510-V512 VanDerWaalsContact C-N 3.3Å; D510-V512 PolarHBondContact O-N 2.86Å; D510-K513 CarbonylContact O-C 3.45Å; D510-K513 WeakPolarHBondContact O-CA 3.4Å; D510-K513 VanDerWaalsContact O-CB 3.28Å; D510-K513 WeakPolarHBondContact O-CB 3.43Å; D510-K513 PolarHBondContact O-N 3.47Å; D510-K513 IonicContact OD1-NZ 2.93Å; D510-E514 PolarHBondContact O-N 3.24Å
511	L	98.1	Very high	96.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-39.7	-179.6	-171.9	55.6	0	0	0	111.3	V326 L426 L507 A508 K513 E514 M515 I524 A529 H532 F534 I535	V326-L511 HydrophobicContact CG1-CD2 4.44Å; L426-L511 HydrophobicContact CD2-CB 3.98Å; L426-L511 HydrophobicContact CD2-CD2 4Å; L426-L511 HydrophobicContact CD2-CG 4.07Å; L507-L511 PolarHBondContact O-N 3.24Å; L507-L511 VanDerWaalsContact O-N 3.16Å; A508-L511 PolarHBondContact O-N 3.02Å; L511-K513 VanDerWaalsContact C-N 3.29Å; L511-K513 PolarHBondContact O-N 3.22Å; L511-E514 PolarHBondContact O-N 3.17Å; L511-M515 HydrophobicContact CD1-CE 3.91Å; L511-M515 HydrophobicContact CD1-CG 4.35Å; L511-M515 HydrophobicContact CD1-SD 4.46Å; L511-M515 HydrophobicContact CD2-CE 3.95Å; L511-M515 HydrophobicContact CG-CE 3.77Å; L511-M515 HydrophobicContact CG-CG 4.43Å; L511-M515 HydrophobicContact CG-SD 4.04Å; L511-M515 WeakPolarHBondContact O-CB 3.46Å; L511-M515 WeakPolarHBondContact O-CG 3.5Å; L511-M515 PolarHBondContact O-N 2.69Å; L511-I524 HydrophobicContact CD1-CD1 4.05Å; L511-A529 HydrophobicContact CD1-CB 4.01Å; L511-H532 HydrophobicContact CD1-CB 3.93Å; L511-F534 HydrophobicContact CD2-CD1 3.86Å; L511-I535 HydrophobicContact CD2-CD1 4.14Å; L511-I535 HydrophobicContact CD2-CG1 3.99Å
512	V	98.3	Very high	97.1	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-57.2	-42.7	169.8	173.1	0	0	0	0	111.1	L426 L493 A508 D510 M515 L516	L426-V512 HydrophobicContact CB-CG2 3.99Å; L426-V512 HydrophobicContact CD2-CG2 3.76Å; L426-V512 HydrophobicContact CG-CG2 3.67Å; L493-V512 HydrophobicContact CD1-CG1 4.1Å; L493-V512 HydrophobicContact CD2-CG1 4.05Å; A508-V512 WeakPolarHBondContact O-CG2 3.26Å; A508-V512 PolarHBondContact O-N 3.11Å; D510-V512 VanDerWaalsContact C-N 3.3Å; D510-V512 PolarHBondContact O-N 2.86Å; V512-M515 PolarHBondContact O-N 3.24Å; V512-L516 HydrophobicContact CG1-CD1 3.55Å; V512-L516 HydrophobicContact CG1-CG 4.08Å; V512-L516 VanDerWaalsContact O-CB 3.25Å; V512-L516 WeakPolarHBondContact O-CB 3.43Å; V512-L516 VanDerWaalsContact O-CG 3.23Å; V512-L516 WeakPolarHBondContact O-CG 3.34Å; V512-L516 PolarHBondContact O-N 3.47Å
513	K	97.5	Very high	97.4	Very high	121 Å²	121	46.4 Å²	46.4	53%	0.526	23%	0.229	S	C	.	.	H	α-helix	trans	-65.8	-39.6	178.7	176.9	-174.1	155.6	-146.2	0	112.4	L493 F509 D510 L511	L493-K513 HydrophobicContact CD2-CB 3.63Å; L493-K513 HydrophobicContact CD2-CG 4.32Å; F509-K513 WeakPolarHBondContact O-CB 3.21Å; F509-K513 PolarHBondContact O-N 3.01Å; D510-K513 CarbonylContact O-C 3.45Å; D510-K513 WeakPolarHBondContact O-CA 3.4Å; D510-K513 VanDerWaalsContact O-CB 3.28Å; D510-K513 WeakPolarHBondContact O-CB 3.43Å; D510-K513 PolarHBondContact O-N 3.47Å; D510-K513 IonicContact OD1-NZ 2.93Å; L511-K513 VanDerWaalsContact C-N 3.29Å; L511-K513 PolarHBondContact O-N 3.22Å
514	E	98.3	Very high	97.6	Very high	66 Å²	66	42.5 Å²	42.5	31%	0.308	21%	0.208	S	C	.	.	H	α-helix	trans	-71.5	-32	175.2	-71.7	-159.1	-131.3	0	0	113.1	D510 L511 V517 I524 H532	D510-E514 PolarHBondContact O-N 3.24Å; L511-E514 PolarHBondContact O-N 3.17Å; E514-V517 WeakPolarHBondContact O-CG2 3.35Å; E514-I524 HydrophobicContact CB-CB 4.08Å; E514-I524 HydrophobicContact CB-CD1 4.23Å; E514-I524 HydrophobicContact CB-CG2 4.06Å; E514-I524 WeakPolarHBondContact O-CG2 3.44Å; E514-I524 PolarHBondContact O-N 2.69Å; E514-H532 IonicContact OE1-CD2 3.79Å; E514-H532 IonicContact OE1-NE2 2.63Å
515	M	98.8	Very high	97.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-76.8	-30.7	174.1	-70.8	177.5	168.2	0	0	113.3	V326 V419 I422 L511 V512 V517 R523 I524 A529	V326-M515 HydrophobicContact CG1-CE 4.35Å; V419-M515 HydrophobicContact CG1-CB 4.04Å; V419-M515 HydrophobicContact CG1-CG 3.72Å; I422-M515 HydrophobicContact CB-CE 4.38Å; I422-M515 HydrophobicContact CB-SD 4.13Å; I422-M515 HydrophobicContact CG2-CE 3.62Å; I422-M515 HydrophobicContact CG2-SD 3.67Å; L511-M515 HydrophobicContact CD1-CE 3.91Å; L511-M515 HydrophobicContact CD1-CG 4.35Å; L511-M515 HydrophobicContact CD1-SD 4.46Å; L511-M515 HydrophobicContact CD2-CE 3.95Å; L511-M515 HydrophobicContact CG-CE 3.77Å; L511-M515 HydrophobicContact CG-CG 4.43Å; L511-M515 HydrophobicContact CG-SD 4.04Å; L511-M515 WeakPolarHBondContact O-CB 3.46Å; L511-M515 WeakPolarHBondContact O-CG 3.5Å; L511-M515 PolarHBondContact O-N 2.69Å; V512-M515 PolarHBondContact O-N 3.24Å; M515-V517 VanDerWaalsContact C-N 3.33Å; M515-V517 PolarHBondContact O-N 2.92Å; M515-R523 WeakPolarHBondContact O-CD 3.38Å; M515-R523 VanDerWaalsContact O-CG 3.28Å; M515-R523 WeakPolarHBondContact O-CG 3.32Å; M515-I524 HydrophobicContact CB-CG2 4.42Å; M515-I524 HydrophobicContact CG-CG2 3.71Å; M515-A529 HydrophobicContact CE-CB 3.8Å
516	L	98.7	Very high	97.9	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	27.5	179.6	-61.2	-176.4	0	0	0	113.2	W420 L435 L451 L452 V512 Y518	W420-L516 HydrophobicContact CD2-CD2 3.57Å; W420-L516 HydrophobicContact CE3-CB 4.3Å; W420-L516 HydrophobicContact CE3-CD2 3.85Å; W420-L516 HydrophobicContact CG-CD2 3.97Å; W420-L516 HydrophobicContact CH2-CB 4.4Å; W420-L516 HydrophobicContact CH2-CD2 4.33Å; W420-L516 HydrophobicContact CZ2-CD2 4.07Å; W420-L516 HydrophobicContact CZ3-CB 4.07Å; W420-L516 HydrophobicContact CZ3-CD2 4.22Å; W420-L516 VanDerWaalsContact CZ3-O 3.29Å; W420-L516 WeakPolarHBondContact CZ3-O 3.36Å; W420-L516 WeakPolarHBondContact O-CD2 3.41Å; L435-L516 HydrophobicContact CD2-CD1 3.63Å; L451-L516 HydrophobicContact CD2-CD1 3.96Å; L452-L516 HydrophobicContact CD1-CB 4.1Å; L452-L516 WeakPolarHBondContact CD1-O 3.49Å; L452-L516 HydrophobicContact CD2-CB 3.94Å; V512-L516 HydrophobicContact CG1-CD1 3.55Å; V512-L516 HydrophobicContact CG1-CG 4.08Å; V512-L516 VanDerWaalsContact O-CB 3.25Å; V512-L516 WeakPolarHBondContact O-CB 3.43Å; V512-L516 VanDerWaalsContact O-CG 3.23Å; V512-L516 WeakPolarHBondContact O-CG 3.34Å; V512-L516 PolarHBondContact O-N 3.47Å; L516-Y518 PolarHBondContact O-N 2.85Å
517	V	98.5	Very high	98	Very high	39 Å²	39	36.9 Å²	36.9	24%	0.236	20%	0.201	C	C	.	.			trans	-66	129.2	168.7	174.1	0	0	0	0	109.6	E514 M515 E522 R523	E514-V517 WeakPolarHBondContact O-CG2 3.35Å; M515-V517 VanDerWaalsContact C-N 3.33Å; M515-V517 PolarHBondContact O-N 2.92Å; V517-E522 HydrophobicContact CG1-CB 3.79Å; V517-R523 HydrophobicContact CB-CB 4.16Å; V517-R523 HydrophobicContact CB-CG 4.34Å; V517-R523 PolarHBondContact O-NE 3.36Å; V517-R523 PolarHBondContact O-NH2 3Å; V517-R523 VanDerWaalsContact O-NH2 3.1Å
518	Y	98.5	Very high	98.1	Very high	19 Å²	19	42.7 Å²	42.7	8%	0.075	22%	0.221	C	C	.	.	S	Bend	trans	-61.3	-44.7	-177.8	-80.1	-60.4	0	0	0	113.5	P405 W420 M448 E449 L452 G453 L455 P456 M459 L516 P520 R523	P405-Y518 HydrophobicContact CB-CD1 4.02Å; P405-Y518 HydrophobicContact CB-CE1 4.42Å; P405-Y518 HydrophobicContact CG-CD1 3.88Å; W420-Y518 HydrophobicContact CH2-CD1 4.3Å; W420-Y518 HydrophobicContact CH2-CE1 4.21Å; W420-Y518 HydrophobicContact CZ3-CD1 4.33Å; M448-Y518 HydrophobicContact CB-CE1 3.97Å; M448-Y518 WeakPolarHBondContact CB-OH 3.07Å; M448-Y518 PolarHBondContact O-OH 2.89Å; M448-Y518 VanDerWaalsContact O-OH 3.09Å; M448-Y518 HydrophobicContact SD-CE1 4.35Å; E449-Y518 WeakPolarHBondContact CA-OH 3.34Å; E449-Y518 PolarHBondContact N-OH 3.25Å; L452-Y518 HydrophobicContact CB-CE2 3.68Å; L452-Y518 HydrophobicContact CD1-CE1 4.08Å; L452-Y518 HydrophobicContact CD1-CE2 4.24Å; G453-Y518 WeakPolarHBondContact O-CE2 3.35Å; G453-Y518 PolarHBondContact O-OH 3.12Å; G453-Y518 VanDerWaalsContact O-OH 3.14Å; L455-Y518 HydrophobicContact CD2-CD1 3.65Å; L455-Y518 HydrophobicContact CD2-CE1 3.31Å; L455-Y518 HydrophobicContact CD2-CG 4.42Å; L455-Y518 HydrophobicContact CG-CE1 4.22Å; P456-Y518 HydrophobicContact CG-CD2 4.21Å; P456-Y518 HydrophobicContact CG-CG 4.18Å; M459-Y518 WeakPolarHBondContact CE-O 3.24Å; L516-Y518 PolarHBondContact O-N 2.85Å; Y518-P520 WeakPolarHBondContact O-CD 3.28Å; Y518-R523 PolarHBondContact O-NH2 2.96Å
519	I	98.2	Very high	98.1	Very high	35 Å²	35	42.7 Å²	42.7	18%	0.179	22%	0.221	C	C	.	.	S	Bend	trans	-80.6	116.5	-175.3	-63.7	178.2	0	0	0	108.5	P456 M459 S521 E522 R523	P456-I519 HydrophobicContact CB-CD1 4.29Å; P456-I519 HydrophobicContact CB-CG1 4.3Å; P456-I519 HydrophobicContact CG-CD1 4.34Å; P456-I519 HydrophobicContact CG-CG1 4.04Å; M459-I519 HydrophobicContact SD-CG1 4.38Å; I519-S521 VanDerWaalsContact C-N 3.29Å; I519-S521 WeakPolarHBondContact CG2-OG 3.42Å; I519-S521 PolarHBondContact O-N 3.35Å; I519-E522 HydrophobicContact CB-CB 4.15Å; I519-E522 HydrophobicContact CB-CG 4.13Å; I519-E522 WeakPolarHBondContact CD1-OE1 3.27Å; I519-E522 HydrophobicContact CG2-CB 4.26Å; I519-E522 HydrophobicContact CG2-CG 3.87Å; I519-E522 PolarHBondContact O-N 3.21Å; I519-R523 PolarHBondContact O-N 2.94Å
520	P	97.9	Very high	98.2	Very high	33 Å²	33	44.2 Å²	44.2	21%	0.214	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-50.1	-44	-176.4	-34.7	41	0	0	0	114.5	E406 S416 Y518 E522 R523	E406-P520 HydrophobicContact CB-CG 4.06Å; E406-P520 HydrophobicContact CG-CG 3.9Å; S416-P520 WeakPolarHBondContact OG-CB 3.05Å; Y518-P520 WeakPolarHBondContact O-CD 3.28Å; P520-E522 VanDerWaalsContact C-N 3.29Å; P520-E522 PolarHBondContact O-N 3.16Å; P520-R523 WeakPolarHBondContact O-CB 3.41Å; P520-R523 PolarHBondContact O-N 2.78Å
521	S	97.5	Very high	98.2	Very high	109 Å²	109	48.7 Å²	48.7	76%	0.762	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-74.3	-12.5	-178.5	56.8	0	0	0	0	115.1	I519	I519-S521 VanDerWaalsContact C-N 3.29Å; I519-S521 WeakPolarHBondContact CG2-OG 3.42Å; I519-S521 PolarHBondContact O-N 3.35Å
522	E	98	Very high	98.2	Very high	132 Å²	132	49.2 Å²	49.2	62%	0.617	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-102.5	-11.6	176.9	-65.9	172.5	-163.7	0	0	112	V517 I519 P520	V517-E522 HydrophobicContact CG1-CB 3.79Å; I519-E522 HydrophobicContact CB-CB 4.15Å; I519-E522 HydrophobicContact CB-CG 4.13Å; I519-E522 WeakPolarHBondContact CD1-OE1 3.27Å; I519-E522 HydrophobicContact CG2-CB 4.26Å; I519-E522 HydrophobicContact CG2-CG 3.87Å; I519-E522 PolarHBondContact O-N 3.21Å; P520-E522 VanDerWaalsContact C-N 3.29Å; P520-E522 PolarHBondContact O-N 3.16Å
523	R	98.6	Very high	98.2	Very high	11 Å²	11	52.6 Å²	52.6	4%	0.042	27%	0.273	C	S	.	.	S	Bend	trans	-67	141.4	177.8	-164.1	178.4	-64.2	152.6	5.1	110.3	E406 S416 V419 M515 V517 Y518 I519 P520	E406-R523 IonicContact OE1-CZ 3.01Å; E406-R523 IonicContact OE1-NH1 3.8Å; E406-R523 PolarHBondContact OE1-NH1 3.1Å; E406-R523 IonicContact OE1-NH2 3.29Å; E406-R523 PolarHBondContact OE1-NH2 2.9Å; E406-R523 IonicContact OE2-CZ 3.82Å; E406-R523 IonicContact OE2-NH1 3.83Å; E406-R523 IonicContact OE2-NH2 2.72Å; E406-R523 PolarHBondContact OE2-NH2 3.07Å; S416-R523 VanDerWaalsContact C-NH1 3.29Å; S416-R523 WeakPolarHBondContact O-CD 3.37Å; S416-R523 PolarHBondContact O-NH1 2.84Å; S416-R523 PolarHBondContact OG-NH1 3.09Å; V419-R523 HydrophobicContact CB-CG 4.48Å; V419-R523 HydrophobicContact CG1-CG 4.35Å; M515-R523 WeakPolarHBondContact O-CD 3.38Å; M515-R523 VanDerWaalsContact O-CG 3.28Å; M515-R523 WeakPolarHBondContact O-CG 3.32Å; V517-R523 HydrophobicContact CB-CB 4.16Å; V517-R523 HydrophobicContact CB-CG 4.34Å; V517-R523 PolarHBondContact O-NE 3.36Å; V517-R523 PolarHBondContact O-NH2 3Å; V517-R523 VanDerWaalsContact O-NH2 3.1Å; Y518-R523 PolarHBondContact O-NH2 2.96Å; I519-R523 PolarHBondContact O-N 2.94Å; P520-R523 WeakPolarHBondContact O-CB 3.41Å; P520-R523 PolarHBondContact O-N 2.78Å
524	I	98.7	Very high	98.2	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.036	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-57.2	148	175.8	-161.5	177.4	0	0	0	110.3	V419 L511 E514 M515 R528 A529	V419-I524 HydrophobicContact CG1-CG2 4Å; V419-I524 WeakPolarHBondContact CG1-O 3.38Å; L511-I524 HydrophobicContact CD1-CD1 4.05Å; E514-I524 HydrophobicContact CB-CB 4.08Å; E514-I524 HydrophobicContact CB-CD1 4.23Å; E514-I524 HydrophobicContact CB-CG2 4.06Å; E514-I524 WeakPolarHBondContact O-CG2 3.44Å; E514-I524 PolarHBondContact O-N 2.69Å; M515-I524 HydrophobicContact CB-CG2 4.42Å; M515-I524 HydrophobicContact CG-CG2 3.71Å; I524-R528 HydrophobicContact CD1-CB 4.21Å; I524-R528 HydrophobicContact CG1-CB 3.72Å; I524-A529 HydrophobicContact CD1-CB 4.04Å
525	T	98.7	Very high	98.1	Very high	70 Å²	70	43.8 Å²	43.8	43%	0.429	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-92.3	155.4	171.1	63.8	0	0	0	0	109.9	S527 R528 A529	T525-S527 PolarHBondContact O-N 3.3Å; T525-R528 PolarHBondContact O-N 3.16Å; T525-R528 PolarHBondContact OG1-N 3.02Å; T525-A529 PolarHBondContact O-N 2.78Å
526	C	98.5	Very high	98	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.007	26%	0.258	C	S	.	.	H	α-helix	trans	-57.2	-35.9	176.3	-72.6	0	0	0	0	112.6	C330 V333 A334 I422 R528 A529 L530	C330-C526 HydrophobicContact CB-CB 4.15Å; C330-C526 WeakPolarHBondContact O-CB 3.3Å; V333-C526 VanDerWaalsContact CG1-SG 3.53Å; A334-C526 HydrophobicContact CB-CB 3.79Å; I422-C526 WeakPolarHBondContact CD1-SG 3.43Å; C526-R528 PolarHBondContact O-N 3.23Å; C526-A529 WeakPolarHBondContact O-CB 3.49Å; C526-A529 PolarHBondContact O-N 3.23Å; C526-L530 WeakPolarHBondContact O-CG 3.45Å; C526-L530 PolarHBondContact O-N 3.15Å
527	S	97.8	Very high	97.8	Very high	55 Å²	55	50.6 Å²	50.6	39%	0.385	27%	0.273	S	S	.	.	H	α-helix	trans	-58.8	-44	174.2	-52.2	0	0	0	0	112.6	T525	T525-S527 PolarHBondContact O-N 3.3Å
528	R	98.2	Very high	97.4	Very high	148 Å²	148	50.6 Å²	50.6	56%	0.558	27%	0.27	S	S	*	.	H	α-helix	trans	-74.3	-29.7	176.7	-70.4	-173.2	67.1	-150	-8.7	112.7	I524 T525 C526 L530 E531 H532	I524-R528 HydrophobicContact CD1-CB 4.21Å; I524-R528 HydrophobicContact CG1-CB 3.72Å; T525-R528 PolarHBondContact O-N 3.16Å; T525-R528 PolarHBondContact OG1-N 3.02Å; C526-R528 PolarHBondContact O-N 3.23Å; R528-L530 PolarHBondContact O-N 3.34Å; R528-E531 WeakPolarHBondContact O-CB 3.43Å; R528-E531 PolarHBondContact O-N 3.19Å; R528-E531 VanDerWaalsContact O-N 3.1Å; R528-H532 PolarHBondContact O-N 3.28Å
529	A	98.5	Very high	96.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.9	-29.8	175	0	0	0	0	0	112.8	L511 M515 I524 T525 C526 E531 H532 I535	L511-A529 HydrophobicContact CD1-CB 4.01Å; M515-A529 HydrophobicContact CE-CB 3.8Å; I524-A529 HydrophobicContact CD1-CB 4.04Å; T525-A529 PolarHBondContact O-N 2.78Å; C526-A529 WeakPolarHBondContact O-CB 3.49Å; C526-A529 PolarHBondContact O-N 3.23Å; A529-E531 VanDerWaalsContact C-N 3.25Å; A529-E531 PolarHBondContact O-N 2.86Å; A529-H532 WeakPolarHBondContact O-CB 3.33Å; A529-H532 PolarHBondContact O-N 2.94Å; A529-I535 WeakPolarHBondContact O-CG1 3.32Å
530	L	97.8	Very high	94.2	Very high	39 Å²	39	62.1 Å²	62.1	20%	0.204	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-23.9	174.7	-64.5	169.6	0	0	0	113.1	R327 C330 E331 C526 R528 H532 I535	R327-L530 HydrophobicContact CG-CD2 3.84Å; R327-L530 WeakPolarHBondContact O-CD2 3.35Å; C330-L530 HydrophobicContact CB-CD2 3.69Å; C330-L530 HydrophobicContact CB-CG 4.05Å; E331-L530 HydrophobicContact CG-CD1 3.87Å; E331-L530 HydrophobicContact CG-CD2 3.82Å; C526-L530 WeakPolarHBondContact O-CG 3.45Å; C526-L530 PolarHBondContact O-N 3.15Å; R528-L530 PolarHBondContact O-N 3.34Å; L530-H532 VanDerWaalsContact C-N 3.33Å; L530-I535 HydrophobicContact CD2-CG2 4.48Å
531	E	97.7	Very high	94	Very high	134 Å²	134	63.6 Å²	63.6	63%	0.626	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-5	175.6	-58	167.7	173.7	0	0	112.2	R528 A529 L536	R528-E531 WeakPolarHBondContact O-CB 3.43Å; R528-E531 PolarHBondContact O-N 3.19Å; R528-E531 VanDerWaalsContact O-N 3.1Å; A529-E531 VanDerWaalsContact C-N 3.25Å; A529-E531 PolarHBondContact O-N 2.86Å; E531-L536 VanDerWaalsContact O-CD1 3.26Å; E531-L536 WeakPolarHBondContact O-CD1 3.29Å
532	H	98.2	Very high	93.8	Very high	12 Å²	12	61.2 Å²	61.2	6%	0.056	33%	0.327	C	S	.	.	S	Bend	trans	-71.1	138.4	-176	-173.7	-91.7	0	0	0	111.5	L507 L511 E514 R528 A529 L530 F534 I535 L536	L507-H532 PolarHBondContact O-CE1 3.11Å; L507-H532 VanDerWaalsContact O-CE1 3.28Å; L511-H532 HydrophobicContact CD1-CB 3.93Å; E514-H532 IonicContact OE1-CD2 3.79Å; E514-H532 IonicContact OE1-NE2 2.63Å; R528-H532 PolarHBondContact O-N 3.28Å; A529-H532 WeakPolarHBondContact O-CB 3.33Å; A529-H532 PolarHBondContact O-N 2.94Å; L530-H532 VanDerWaalsContact C-N 3.33Å; H532-F534 VanDerWaalsContact ND1-CB 3.33Å; H532-F534 WeakPolarHBondContact ND1-CB 3.48Å; H532-F534 PolarHBondContact ND1-N 3.15Å; H532-F534 PolarHBondContact O-N 3.01Å; H532-I535 PolarHBondContact O-N 3.43Å; H532-L536 PolarHBondContact O-N 3.29Å
533	P	97.4	Very high	93.6	Very high	71 Å²	71	57.2 Å²	57.2	46%	0.461	31%	0.311	S	S	.	.	H	α-helix	trans	-53	-31.3	-175.9	-30.2	35.9	0	0	0	115.3	L507 I535 S537	L507-P533 HydrophobicContact CD1-CB 4.34Å; L507-P533 HydrophobicContact CD2-CB 4.22Å; P533-I535 PolarHBondContact O-N 2.8Å; P533-S537 WeakPolarHBondContact O-CB 3.48Å; P533-S537 PolarHBondContact O-N 3.47Å; P533-S537 PolarHBondContact O-OG 3.16Å
534	F	97.5	Very high	93.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-56.9	-45.8	172.4	177.7	-120.7	0	0	0	113.3	I319 C322 A323 L426 L507 A508 L511 H532 F538	I319-F534 HydrophobicContact CD1-CE2 3.69Å; I319-F534 HydrophobicContact CD1-CZ 4.09Å; I319-F534 HydrophobicContact CG1-CE2 3.98Å; C322-F534 HydrophobicContact CB-CZ 4.13Å; A323-F534 HydrophobicContact CB-CE1 4Å; A323-F534 HydrophobicContact CB-CE2 4Å; A323-F534 HydrophobicContact CB-CZ 3.65Å; L426-F534 HydrophobicContact CD1-CE1 3.74Å; L426-F534 HydrophobicContact CD1-CZ 4.09Å; L426-F534 HydrophobicContact CD2-CD1 4.44Å; L426-F534 HydrophobicContact CD2-CE1 4.21Å; L507-F534 HydrophobicContact CB-CB 3.89Å; L507-F534 HydrophobicContact CB-CD2 4.25Å; A508-F534 HydrophobicContact CB-CD1 4.41Å; A508-F534 HydrophobicContact CB-CD2 3.88Å; A508-F534 HydrophobicContact CB-CE1 4.18Å; A508-F534 HydrophobicContact CB-CE2 3.64Å; A508-F534 HydrophobicContact CB-CG 4.27Å; A508-F534 HydrophobicContact CB-CZ 3.79Å; L511-F534 HydrophobicContact CD2-CD1 3.86Å; H532-F534 VanDerWaalsContact ND1-CB 3.33Å; H532-F534 WeakPolarHBondContact ND1-CB 3.48Å; H532-F534 PolarHBondContact ND1-N 3.15Å; H532-F534 PolarHBondContact O-N 3.01Å; F534-F538 HydrophobicContact CE2-CE2 4.46Å
535	I	97.2	Very high	93	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-75.4	-42.1	-177.7	-61.7	-58.2	0	0	0	110.4	V326 R327 L511 A529 L530 H532 P533 S537 F538	V326-I535 HydrophobicContact CB-CD1 4.34Å; V326-I535 HydrophobicContact CG1-CD1 4.15Å; R327-I535 HydrophobicContact CB-CD1 4.35Å; R327-I535 HydrophobicContact CB-CG2 3.87Å; R327-I535 HydrophobicContact CG-CG2 3.75Å; L511-I535 HydrophobicContact CD2-CD1 4.14Å; L511-I535 HydrophobicContact CD2-CG1 3.99Å; A529-I535 WeakPolarHBondContact O-CG1 3.32Å; L530-I535 HydrophobicContact CD2-CG2 4.48Å; H532-I535 PolarHBondContact O-N 3.43Å; P533-I535 PolarHBondContact O-N 2.8Å; I535-S537 VanDerWaalsContact C-N 3.27Å; I535-S537 PolarHBondContact O-N 3.25Å; I535-F538 PolarHBondContact O-N 3.24Å
536	L	96.8	Very high	92.6	Very high	96 Å²	96	62.8 Å²	62.8	50%	0.503	34%	0.339	S	S	.	.	H	α-helix	trans	-64.8	-29.5	178.2	-61.4	-178.5	0	0	0	112.8	E531 H532 F538 H539	E531-L536 VanDerWaalsContact O-CD1 3.26Å; E531-L536 WeakPolarHBondContact O-CD1 3.29Å; H532-L536 PolarHBondContact O-N 3.29Å; L536-F538 PolarHBondContact O-N 3.1Å; L536-F538 VanDerWaalsContact O-N 3.13Å; L536-H539 PolarHBondContact O-N 3.49Å
537	S	93.9	Very high	92.2	Very high	49 Å²	49	67.2 Å²	67.2	34%	0.343	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-21	177.7	-67.4	0	0	0	0	114.5	P533 I535	P533-S537 WeakPolarHBondContact O-CB 3.48Å; P533-S537 PolarHBondContact O-N 3.47Å; P533-S537 PolarHBondContact O-OG 3.16Å; I535-S537 VanDerWaalsContact C-N 3.27Å; I535-S537 PolarHBondContact O-N 3.25Å
538	F	90.1	Very high	91.7	Very high	39 Å²	39	68.2 Å²	68.2	17%	0.171	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	30.4	-178.6	-58.8	-82.4	0	0	0	111.4	I319 E320 A323 R327 Y504 F534 I535 L536	I319-F538 HydrophobicContact CG2-CZ 4.02Å; E320-F538 HydrophobicContact CB-CD1 3.73Å; E320-F538 HydrophobicContact CB-CE1 3.72Å; E320-F538 HydrophobicContact CB-CG 4.46Å; E320-F538 HydrophobicContact CB-CZ 4.45Å; E320-F538 HydrophobicContact CG-CD1 3.74Å; E320-F538 HydrophobicContact CG-CE1 4.2Å; E320-F538 HydrophobicContact CG-CG 4.45Å; A323-F538 HydrophobicContact CB-CB 3.92Å; A323-F538 HydrophobicContact CB-CD2 3.38Å; A323-F538 HydrophobicContact CB-CE2 4.18Å; A323-F538 HydrophobicContact CB-CG 3.89Å; R327-F538 PolarHBondContact NH1-O 3.11Å; Y504-F538 AromaticContact CD1-CE2 3.68Å; Y504-F538 HydrophobicContact CD1-CE2 3.68Å; Y504-F538 AromaticContact CD1-CZ 3.71Å; Y504-F538 HydrophobicContact CD1-CZ 3.71Å; Y504-F538 HydrophobicContact CD2-CZ 4.03Å; Y504-F538 HydrophobicContact CE1-CE2 4.32Å; Y504-F538 HydrophobicContact CE1-CZ 4.15Å; Y504-F538 HydrophobicContact CE2-CZ 4.41Å; Y504-F538 AromaticContact CG-CE2 3.91Å; Y504-F538 HydrophobicContact CG-CE2 3.91Å; Y504-F538 AromaticContact CG-CZ 3.64Å; Y504-F538 HydrophobicContact CG-CZ 3.64Å; F534-F538 HydrophobicContact CE2-CE2 4.46Å; I535-F538 PolarHBondContact O-N 3.24Å; L536-F538 PolarHBondContact O-N 3.1Å; L536-F538 VanDerWaalsContact O-N 3.13Å
539	H	74.9	Confident	91.2	Very high	131 Å²	131	61.5 Å²	61.5	61%	0.606	34%	0.344	S	S	*	.			trans	-84.5	116.9	169.2	-157.2	80.2	0	0	0	109.3	L536	L536-H539 PolarHBondContact O-N 3.49Å
540	S	54.5	Low	90.5	Very high	165 Å²	165	67.1 Å²	67.1	100%	1.154	38%	0.376	S	S	*	.			trans	-98.7	0	-180	59.2	0	0	0	0	111.3

Retrieved 540 of 540 residues in 139.3 ms (Link to these results)

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