A0A087X8E7_POEFO Loading...

Protein serine kinase H1

AlphaFold DB , UniProt , Accession A0A087X8E7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 436 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	33.8	Very low	35.4	Very low	249 Å²	249	159.8 Å²	159.8	100%	1.227	87%	0.867	S	S	*	*				0	123.7	0	-51.2	171.8	-165.8	0	0	105.5
2	G	31.6	Very low	36.1	Very low	71 Å²	71	155.9 Å²	155.9	73%	0.732	86%	0.856	S	S	*	*			cis	106.3	119.5	36.5	0	0	0	0	0	107.1
3	C	30.6	Very low	36.8	Very low	134 Å²	134	153.5 Å²	153.5	91%	0.905	85%	0.853	S	S	*	*			cis	-142.2	169.8	9.5	-74.5	0	0	0	0	112.8
4	R	38.1	Very low	37.2	Very low	233 Å²	233	147.2 Å²	147.2	88%	0.879	84%	0.84	S	S	*	*			trans	-70.2	160	167.3	-61.6	173.2	175.6	170.8	-3.1	110.6
5	N	35.5	Very low	37.3	Very low	163 Å²	163	148.7 Å²	148.7	87%	0.872	84%	0.844	S	S	*	*			trans	-165.6	111.7	136	-101.7	-21.3	0	0	0	112.2
6	S	33.6	Very low	37.1	Very low	112 Å²	112	148.1 Å²	148.1	78%	0.783	84%	0.844	S	S	*	*			trans	-75.4	145.3	161	-60	0	0	0	0	109.3
7	K	36.4	Very low	36.7	Very low	207 Å²	207	149.8 Å²	149.8	90%	0.9	84%	0.843	S	S	*	*			trans	-103	103	165.8	-74.7	-168.2	173.7	-172.8	0	109.9
8	V	35.3	Very low	36.5	Very low	132 Å²	132	151.1 Å²	151.1	80%	0.8	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-78.4	143	163.7	179.4	0	0	0	0	107.7
9	L	33.8	Very low	36.2	Very low	152 Å²	152	149.5 Å²	149.5	80%	0.796	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-89.5	146	172.3	-74.2	167.3	0	0	0	109.5
10	P	40	Very low	35.9	Very low	121 Å²	121	149.3 Å²	149.3	79%	0.786	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-67.4	145.1	178.3	29.5	-35.1	0	0	0	111.2
11	E	40.4	Very low	35.6	Very low	184 Å²	184	148 Å²	148	86%	0.86	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-74.1	150	168.7	-63.8	-165.5	147.6	0	0	110.7
12	P	44	Very low	35.6	Very low	113 Å²	113	145.8 Å²	145.8	73%	0.734	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-69.8	153	173.4	31.3	-35.2	0	0	0	110.9
13	P	45	Very low	35.6	Very low	125 Å²	125	150.9 Å²	150.9	81%	0.812	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-63.3	149.1	175.8	28.1	-35.1	0	0	0	111.6
14	G	42.2	Very low	35.7	Very low	65 Å²	65	151.2 Å²	151.2	67%	0.67	81%	0.811	S	S	*	*			trans	-68.2	-177.8	167.2	0	0	0	0	0	112.8
15	D	39.2	Very low	35.6	Very low	169 Å²	169	146.4 Å²	146.4	90%	0.904	80%	0.803	S	S	*	*			trans	77	68.2	178.8	-54.4	-19.4	0	0	0	116.4
16	V	33.8	Very low	35.4	Very low	140 Å²	140	144.5 Å²	144.5	85%	0.848	80%	0.799	S	S	*	*			trans	-123.7	114.5	146.3	-178	0	0	0	0	108.5	L18	V16-L18 PolarHBondContact O-N 3.32Å
17	Q	31.4	Very low	35.5	Very low	177 Å²	177	147.8 Å²	147.8	83%	0.827	80%	0.802	S	S	*	*			trans	-72.7	114.6	-174.5	-164.6	166.3	-5.9	0	0	110.6
18	L	32.5	Very low	35.4	Very low	172 Å²	172	142.7 Å²	142.7	90%	0.901	79%	0.79	S	S	*	*			trans	-86.1	116.6	176.6	-87.4	167.2	0	0	0	110.1	V16	V16-L18 PolarHBondContact O-N 3.32Å
19	D	31.3	Very low	35.4	Very low	122 Å²	122	142.3 Å²	142.3	65%	0.652	79%	0.791	S	S	*	*			trans	-137.5	140.3	173.6	-117	-35.5	0	0	0	114.5
20	L	29.5	Very low	35.3	Very low	145 Å²	145	144.5 Å²	144.5	76%	0.759	80%	0.797	S	S	*	*			trans	50.2	79.8	156	-63.8	166.8	0	0	0	119.8
21	V	30.7	Very low	34.8	Very low	122 Å²	122	144.4 Å²	144.4	74%	0.739	79%	0.794	S	S	*	*				21.7	118.1	112.8	-175.8	0	0	0	0	116.6	K23	V21-K23 HydrophobicContact CG1-CG 4.4Å
22	K	32.7	Very low	34.3	Very low	203 Å²	203	143.5 Å²	143.5	88%	0.883	80%	0.795	S	S	*	*			trans	-115.2	125.8	145.4	-77.5	-171.2	175.3	-178.7	0	109.8
23	K	30.9	Very low	33.7	Very low	178 Å²	178	144.8 Å²	144.8	77%	0.774	80%	0.795	S	S	*	*			trans	-68	149.4	173.4	-64.3	178.4	179.4	178.6	0	110	V21	V21-K23 HydrophobicContact CG1-CG 4.4Å
24	V	32.6	Very low	32.8	Very low	141 Å²	141	149.7 Å²	149.7	86%	0.855	80%	0.798	S	S	*	*			trans	-128.2	121.6	160.5	178.7	0	0	0	0	105.7
25	D	36	Very low	32.2	Very low	132 Å²	132	154.9 Å²	154.9	71%	0.706	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-75.3	149.1	-172.3	-65.9	-60.3	0	0	0	112.5	Q27	D25-Q27 PolarHBondContact O-N 3.36Å
26	P	33.2	Very low	31.7	Very low	123 Å²	123	154.8 Å²	154.8	80%	0.799	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-74.7	124.7	-175.4	29.3	-34.4	0	0	0	112.2
27	Q	33.9	Very low	31.4	Very low	181 Å²	181	158 Å²	158	85%	0.846	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-69.8	143.5	163.8	-81	-92.1	-70.6	0	0	110.6	D25	D25-Q27 PolarHBondContact O-N 3.36Å
28	P	36.2	Very low	31.2	Very low	99 Å²	99	157.4 Å²	157.4	64%	0.643	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-72.5	157.2	-179.3	30.5	-35.7	0	0	0	112.6	Q30	P28-Q30 PolarHBondContact O-N 3.46Å
29	P	34.3	Very low	31	Very low	125 Å²	125	160.9 Å²	160.9	81%	0.812	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-72.8	124.9	-176.5	29.2	-34.6	0	0	0	112.3
30	Q	31.7	Very low	30.7	Very low	197 Å²	197	158.1 Å²	158.1	92%	0.921	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-74.9	140.7	160.9	-76.9	-174	-26	0	0	110.1	P28	P28-Q30 PolarHBondContact O-N 3.46Å
31	T	29.5	Very low	30.7	Very low	119 Å²	119	159.7 Å²	159.7	73%	0.73	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-87.8	155	-165	42.1	0	0	0	0	114.2	I33	T31-I33 PolarHBondContact O-N 3.26Å; T31-I33 VanDerWaalsContact O-N 3.11Å
32	D	30	Very low	30.5	Very low	166 Å²	166	156.9 Å²	156.9	89%	0.888	81%	0.806	S	S	*	*			trans	-58.7	109.1	171.8	-81.4	-50.8	0	0	0	111.7
33	I	30.4	Very low	30.4	Very low	140 Å²	140	154.8 Å²	154.8	72%	0.718	81%	0.81	S	S	*	*			trans	-108.3	92.9	164.4	-58.2	174.2	0	0	0	107.7	T31	T31-I33 PolarHBondContact O-N 3.26Å; T31-I33 VanDerWaalsContact O-N 3.11Å
34	Y	26.3	Very low	30.2	Very low	228 Å²	228	149.6 Å²	149.6	89%	0.894	81%	0.807	S	S	*	*			trans	177.1	74.2	147.2	-89.6	-54	0	0	0	110.9
35	K	29.6	Very low	30	Very low	173 Å²	173	148.2 Å²	148.2	75%	0.752	80%	0.804	S	S	*	*			trans	-138.8	155.6	162.9	-74.4	-176.5	179.2	166.5	0	110.1
36	H	29.7	Very low	29.7	Very low	167 Å²	167	150.8 Å²	150.8	77%	0.773	81%	0.809	S	S	*	*			trans	69.8	108.3	174.5	-50.1	-77.6	0	0	0	116.9
37	F	26.9	Very low	29.6	Very low	209 Å²	209	151.2 Å²	151.2	92%	0.917	81%	0.81	S	S	*	*			trans	-161.2	81	144.3	-106.2	-65.2	0	0	0	110.4
38	I	26.4	Very low	29.3	Very low	164 Å²	164	146.1 Å²	146.1	84%	0.841	81%	0.806	S	S	*	*			trans	-147	136.3	161.8	-78.3	-164.8	0	0	0	107.3
39	R	28.6	Very low	28.9	Very low	245 Å²	245	150.6 Å²	150.6	93%	0.925	82%	0.818	S	S	*	*			trans	66.5	147.6	-165.1	-58.1	178.6	-178.5	-166.1	-1.5	113.6
40	G	26	Very low	28.7	Very low	63 Å²	63	149.8 Å²	149.8	65%	0.649	82%	0.822	S	S	*	*			cis	161.7	139.3	-9.1	0	0	0	0	0	112.7
41	D	28.8	Very low	28.6	Very low	178 Å²	178	144.6 Å²	144.6	95%	0.952	82%	0.821	S	S	*	*			trans	60.7	146.6	167.6	-52.4	-29.4	0	0	0	120.3
42	G	26.2	Very low	28.5	Very low	63 Å²	63	142.6 Å²	142.6	65%	0.649	82%	0.824	S	S	*	*			trans	124.1	90	146.3	0	0	0	0	0	119.3
43	T	30.6	Very low	28.6	Very low	159 Å²	159	141.7 Å²	141.7	98%	0.975	82%	0.824	S	S	*	*			trans	59.8	149.5	151.7	69	0	0	0	0	120.1
44	G	28	Very low	28.6	Very low	69 Å²	69	139 Å²	139	71%	0.711	82%	0.822	S	S	*	*			cis	167.9	151	-13.7	0	0	0	0	0	114
45	S	27.5	Very low	28.6	Very low	113 Å²	113	132.5 Å²	132.5	79%	0.79	82%	0.816	S	S	*	*			trans	66.1	151.7	178	-66	0	0	0	0	117
46	K	29.7	Very low	28.6	Very low	186 Å²	186	133.6 Å²	133.6	81%	0.809	82%	0.824	S	S	*	*			cis	-158	164.2	-17.3	-95.5	166.1	-174.3	-179.2	0	104.5
47	T	30.6	Very low	28.4	Very low	132 Å²	132	135.1 Å²	135.1	81%	0.81	83%	0.828	S	S	*	*			cis	-168.4	150.1	48.1	42.8	0	0	0	0	111.3
48	G	27.8	Very low	29.1	Very low	74 Å²	74	130.1 Å²	130.1	76%	0.763	82%	0.817	S	S	*	*			trans	77.3	149.5	154.9	0	0	0	0	0	118.3
49	E	29.3	Very low	29.2	Very low	193 Å²	193	128.8 Å²	128.8	90%	0.902	81%	0.812	S	S	*	*			cis	-149.7	156.3	-11.7	-83.9	-160.1	117.5	0	0	111.7
50	A	29.4	Very low	29.1	Very low	108 Å²	108	125.2 Å²	125.2	89%	0.893	81%	0.805	S	S	*	*			trans	37.7	132.7	152.3	0	0	0	0	0	122.9
51	G	29.9	Very low	30	Very low	87 Å²	87	127.4 Å²	127.4	90%	0.897	81%	0.808	S	S	*	*			trans	144.2	89.1	159.6	0	0	0	0	0	114.2
52	G	26.3	Very low	30	Very low	77 Å²	77	124.9 Å²	124.9	79%	0.794	80%	0.803	S	S	*	*			trans	-155.4	152.7	179.2	0	0	0	0	0	114.5
53	V	31.8	Very low	30	Very low	148 Å²	148	125.1 Å²	125.1	90%	0.897	80%	0.799	S	S	*	*			trans	-143.7	154	170.9	-177.3	0	0	0	0	108.2
54	A	30.6	Very low	29.8	Very low	82 Å²	82	127.5 Å²	127.5	68%	0.678	79%	0.791	S	S	*	*			trans	-15.7	138.5	176.1	0	0	0	0	0	118.7
55	A	27.6	Very low	29.8	Very low	93 Å²	93	133 Å²	133	77%	0.769	80%	0.798	S	S	*	*				64.7	140.5	57.1	0	0	0	0	0	112.2
56	E	28.5	Very low	29.7	Very low	196 Å²	196	130.9 Å²	130.9	92%	0.916	80%	0.795	S	S	*	*			cis	-129.6	-164.5	34.9	-60.6	-177.1	105.5	0	0	115.9
57	K	26.4	Very low	29.5	Very low	198 Å²	198	131.6 Å²	131.6	86%	0.861	80%	0.801	S	S	*	*			trans	-131.7	-177.9	-174	-110.3	-169.8	178.7	-173.2	0	108.5
58	P	41.4	Very low	29.4	Very low	104 Å²	104	129 Å²	129	68%	0.675	79%	0.793	S	S	*	*			cis	-123.2	-141.1	7.1	31.6	-6.1	0	0	0	110.7
59	D	28.9	Very low	29.3	Very low	137 Å²	137	134.7 Å²	134.7	73%	0.733	80%	0.799	S	S	*	*			cis	-157.9	-163.2	-0.8	-141	-43	0	0	0	112.9
60	H	26.7	Very low	29.3	Very low	170 Å²	170	130.1 Å²	130.1	79%	0.787	80%	0.795	S	S	*	*			trans	-118.9	-168.2	-178.6	-80	-69.7	0	0	0	111.4
61	P	44.8	Very low	29.1	Very low	108 Å²	108	129.9 Å²	129.9	70%	0.701	79%	0.793	S	S	*	*			cis	-132	-166.3	-11.4	22	4	0	0	0	114.7
62	C	27.9	Very low	29	Very low	125 Å²	125	131.3 Å²	131.3	85%	0.845	79%	0.789	S	S	*	*			trans	79.3	158.7	150	-78.7	0	0	0	0	121.4
63	A	26.7	Very low	29.8	Very low	69 Å²	69	133.1 Å²	133.1	57%	0.57	79%	0.787	S	S	*	*			cis	-177.5	169.7	-36.7	0	0	0	0	0	110.4
64	Y	26.1	Very low	29.6	Very low	209 Å²	209	133.3 Å²	133.3	82%	0.82	79%	0.788	S	S	*	*			trans	65	141.9	174.9	-71.6	-95.6	0	0	0	116.6
65	Q	27.1	Very low	29.4	Very low	184 Å²	184	135 Å²	135	86%	0.86	80%	0.795	S	S	*	*			cis	88.1	135.6	20.8	-64.3	-164.9	-15.3	0	0	117.6
66	G	26.2	Very low	29.5	Very low	69 Å²	69	135.6 Å²	135.6	71%	0.711	80%	0.801	S	S	*	*			trans	111	116	-174.7	0	0	0	0	0	110.8
67	Q	26.6	Very low	29.5	Very low	200 Å²	200	132.4 Å²	132.4	94%	0.935	80%	0.8	S	S	*	*			cis	64.1	139.6	50	-60.8	-172.4	-7.1	0	0	114.2
68	A	27.7	Very low	29.6	Very low	78 Å²	78	127.6 Å²	127.6	65%	0.645	80%	0.797	S	S	*	*			cis	-169.7	173.6	-19.8	0	0	0	0	0	109.2
69	Q	25.8	Very low	29	Very low	193 Å²	193	131.9 Å²	131.9	90%	0.902	81%	0.808	S	S	*	*			trans	66.7	172	166.2	-57.6	171.6	-0.6	0	0	116.7
70	A	28.3	Very low	29.1	Very low	97 Å²	97	131.8 Å²	131.8	80%	0.802	81%	0.812	S	S	*	*				174.1	112.8	-63.7	0	0	0	0	0	109.4
71	A	26.7	Very low	29.2	Very low	103 Å²	103	129.6 Å²	129.6	85%	0.851	81%	0.813	S	S	*	*			trans	-159.7	149.3	167.2	0	0	0	0	0	112.4
72	S	26.6	Very low	28.7	Very low	118 Å²	118	133.7 Å²	133.7	83%	0.825	82%	0.82	S	S	*	*			trans	-133.5	-179.9	170.1	-46.3	0	0	0	0	107.2
73	P	42.6	Very low	28.9	Very low	114 Å²	114	135 Å²	135	74%	0.74	82%	0.819	S	S	*	*			cis	-131.7	-175.1	-8.1	42.4	-26.8	0	0	0	113
74	T	28.5	Very low	29.2	Very low	152 Å²	152	136.7 Å²	136.7	93%	0.933	82%	0.824	S	S	*	*			trans	-156	158.7	146.3	-8.4	0	0	0	0	110.6
75	S	27.3	Very low	29.5	Very low	118 Å²	118	130.8 Å²	130.8	83%	0.825	81%	0.813	S	S	*	*			trans	-115.7	134.5	-164.3	56.1	0	0	0	0	114.4
76	A	28.9	Very low	30.1	Very low	106 Å²	106	132 Å²	132	88%	0.876	82%	0.816	S	S	*	*			trans	-144.4	148.1	158.4	0	0	0	0	0	109.5
77	S	28.1	Very low	30.3	Very low	128 Å²	128	135.9 Å²	135.9	90%	0.895	82%	0.819	S	S	*	*			trans	-100.1	132.4	-169	52.2	0	0	0	0	113.7
78	A	28.5	Very low	31.1	Very low	97 Å²	97	129.5 Å²	129.5	80%	0.802	80%	0.796	S	S	*	*			trans	-148	102.7	166.5	0	0	0	0	0	112.2
79	Q	28.3	Very low	31.9	Very low	194 Å²	194	128.6 Å²	128.6	91%	0.907	78%	0.781	S	S	*	*			trans	14.4	122.8	152	-58.3	174.1	8.4	0	0	119.4	P81	Q79-P81 WeakPolarHBondContact O-CD 3.25Å
80	T	31.3	Very low	32.7	Very low	135 Å²	135	123.7 Å²	123.7	83%	0.828	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-75	125	173.3	49.7	0	0	0	0	113.7
81	P	30	Very low	33.5	Very low	124 Å²	124	126 Å²	126	81%	0.805	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-71.5	140.5	159.7	-13.2	30	0	0	0	110.4	Q79	Q79-P81 WeakPolarHBondContact O-CD 3.25Å
82	K	32.8	Very low	34.5	Very low	195 Å²	195	130.4 Å²	130.4	85%	0.848	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-77.8	128.3	175.2	-70.6	173.9	179.1	171.2	0	110.3	P84	K82-P84 VanDerWaalsContact O-CD 3.26Å; K82-P84 WeakPolarHBondContact O-CD 3.43Å
83	D	32.9	Very low	35.2	Very low	153 Å²	153	131.2 Å²	131.2	82%	0.818	74%	0.743	S	S	*	*			trans	-50.8	109.5	-178.9	-179.9	24.2	0	0	0	113.1
84	P	33.1	Very low	35.6	Very low	103 Å²	103	133.2 Å²	133.2	67%	0.669	74%	0.74	S	S	*	*			trans	-92.7	120.6	-171.9	33.7	-30.2	0	0	0	112.9	K82	K82-P84 VanDerWaalsContact O-CD 3.26Å; K82-P84 WeakPolarHBondContact O-CD 3.43Å
85	S	31.5	Very low	36.7	Very low	86 Å²	86	128.2 Å²	128.2	60%	0.601	71%	0.709	S	S	*	*			trans	80	95.2	161.1	81.9	0	0	0	0	118.1	L87	S85-L87 PolarHBondContact O-N 2.77Å
86	K	40.1	Very low	38	Very low	209 Å²	209	125.4 Å²	125.4	91%	0.909	69%	0.694	S	S	*	*			trans	-64.8	73	149.5	-69.4	174.4	-179.6	168.8	0	110.1	S88	K86-S88 VanDerWaalsContact C-N 3.31Å; K86-S88 PolarHBondContact O-N 2.73Å
87	L	31	Very low	39.1	Very low	151 Å²	151	128.7 Å²	128.7	79%	0.791	69%	0.688	S	S	*	*			trans	-65.6	89.6	174.5	-84.5	166	0	0	0	110.1	S85 D89	S85-L87 PolarHBondContact O-N 2.77Å; L87-D89 PolarHBondContact O-N 3.46Å
88	S	43.1	Very low	40.3	Very low	65 Å²	65	125.3 Å²	125.3	46%	0.455	66%	0.656	S	S	.	*			trans	-73.4	91.8	-176.9	69.3	0	0	0	0	110.6	K86 K93	K86-S88 VanDerWaalsContact C-N 3.31Å; K86-S88 PolarHBondContact O-N 2.73Å; S88-K93 VanDerWaalsContact OG-CE 3.31Å; S88-K93 WeakPolarHBondContact OG-CE 3.41Å; S88-K93 PolarHBondContact OG-NZ 3.16Å
89	D	45.2	Very low	41.7	Very low	59 Å²	59	125.8 Å²	125.8	32%	0.316	64%	0.637	S	S	.	*			trans	-42.4	121.5	177.3	163.1	32.2	0	0	0	112.4	L87 Q91 R92 K93	L87-D89 PolarHBondContact O-N 3.46Å; D89-Q91 PolarHBondContact O-N 3.28Å; D89-Q91 WeakPolarHBondContact OD1-CB 3.29Å; D89-Q91 PolarHBondContact OD1-N 2.81Å; D89-Q91 WeakPolarHBondContact OD2-CB 3.27Å; D89-R92 HydrophobicContact CB-CB 4.17Å; D89-R92 HydrophobicContact CB-CG 4.29Å; D89-R92 PolarHBondContact O-N 3.38Å; D89-R92 WeakPolarHBondContact OD2-CG 3.37Å; D89-R92 PolarHBondContact OD2-N 2.72Å; D89-K93 PolarHBondContact O-N 2.84Å; D89-K93 VanDerWaalsContact O-N 3.12Å
90	P	42.3	Very low	43.1	Very low	91 Å²	91	121 Å²	121	59%	0.591	63%	0.631	S	S	*	*	H	α-helix	trans	-57.3	-26	176.6	-26.6	35.7	0	0	0	114.3	K94	P90-K94 WeakPolarHBondContact O-CG 3.35Å; P90-K94 PolarHBondContact O-N 2.84Å; P90-K94 VanDerWaalsContact O-N 3.15Å
91	Q	44.2	Very low	45.1	Very low	145 Å²	145	121.4 Å²	121.4	68%	0.678	62%	0.621	S	S	*	*	H	α-helix	trans	-73	-49.4	175.5	-56.5	-174.6	-5.3	0	0	110.8	D89 K93 K94 V95	D89-Q91 PolarHBondContact O-N 3.28Å; D89-Q91 WeakPolarHBondContact OD1-CB 3.29Å; D89-Q91 PolarHBondContact OD1-N 2.81Å; D89-Q91 WeakPolarHBondContact OD2-CB 3.27Å; Q91-K93 VanDerWaalsContact C-N 3.32Å; Q91-K93 PolarHBondContact O-N 2.76Å; Q91-K94 WeakPolarHBondContact O-CB 3.18Å; Q91-K94 PolarHBondContact O-N 3.43Å; Q91-V95 WeakPolarHBondContact O-CG2 3.17Å; Q91-V95 PolarHBondContact O-N 2.96Å
92	R	47.7	Very low	47.8	Very low	196 Å²	196	116.4 Å²	116.4	74%	0.74	59%	0.587	S	S	*	*	H	α-helix	trans	-50.7	-46.6	170.4	-82.8	179.5	172.3	-150	-1.8	112.7	D89 K94 V95 A96	D89-R92 HydrophobicContact CB-CB 4.17Å; D89-R92 HydrophobicContact CB-CG 4.29Å; D89-R92 PolarHBondContact O-N 3.38Å; D89-R92 WeakPolarHBondContact OD2-CG 3.37Å; D89-R92 PolarHBondContact OD2-N 2.72Å; R92-K94 PolarHBondContact O-N 3.4Å; R92-V95 PolarHBondContact O-N 3.18Å; R92-A96 PolarHBondContact O-N 2.72Å
93	K	42	Very low	50.6	Low	134 Å²	134	108 Å²	108	58%	0.583	55%	0.551	S	S	*	*	H	α-helix	trans	-62.5	-38	176.7	-84.5	176.3	164.9	170.8	0	112.9	S88 D89 Q91 K97	S88-K93 VanDerWaalsContact OG-CE 3.31Å; S88-K93 WeakPolarHBondContact OG-CE 3.41Å; S88-K93 PolarHBondContact OG-NZ 3.16Å; D89-K93 PolarHBondContact O-N 2.84Å; D89-K93 VanDerWaalsContact O-N 3.12Å; Q91-K93 VanDerWaalsContact C-N 3.32Å; Q91-K93 PolarHBondContact O-N 2.76Å; K93-K97 PolarHBondContact O-N 2.9Å
94	K	51.8	Low	53.4	Low	157 Å²	157	105.4 Å²	105.4	68%	0.683	54%	0.543	S	S	*	.	H	α-helix	trans	-66.1	-41.5	173.8	-78.8	170.6	178.4	170.5	0	112.4	P90 Q91 R92 Y98	P90-K94 WeakPolarHBondContact O-CG 3.35Å; P90-K94 PolarHBondContact O-N 2.84Å; P90-K94 VanDerWaalsContact O-N 3.15Å; Q91-K94 WeakPolarHBondContact O-CB 3.18Å; Q91-K94 PolarHBondContact O-N 3.43Å; R92-K94 PolarHBondContact O-N 3.4Å; K94-Y98 PolarHBondContact O-N 2.77Å
95	V	51.4	Low	56.3	Low	46 Å²	46	106.4 Å²	106.4	28%	0.279	53%	0.533	S	S	.	.	H	α-helix	trans	-64.5	-43.4	177.2	173.7	0	0	0	0	111.2	Q91 R92 K97 Y98 R99	Q91-V95 WeakPolarHBondContact O-CG2 3.17Å; Q91-V95 PolarHBondContact O-N 2.96Å; R92-V95 PolarHBondContact O-N 3.18Å; V95-K97 PolarHBondContact O-N 2.8Å; V95-Y98 WeakPolarHBondContact O-CB 3.43Å; V95-Y98 PolarHBondContact O-N 2.79Å; V95-R99 HydrophobicContact CG1-CG 4.34Å; V95-R99 PolarHBondContact O-N 3.29Å
96	A	53.8	Low	59.4	Low	60 Å²	60	102.3 Å²	102.3	50%	0.496	51%	0.505	S	S	.	.	H	α-helix	trans	-58.6	-47.8	177.7	0	0	0	0	0	112.5	R92 Y98 R99	R92-A96 PolarHBondContact O-N 2.72Å; A96-Y98 PolarHBondContact O-N 3.38Å; A96-Y98 VanDerWaalsContact O-N 3.13Å; A96-R99 PolarHBondContact O-N 3.14Å
97	K	52.1	Low	62	Low	175 Å²	175	94.2 Å²	94.2	76%	0.761	47%	0.473	S	S	*	.	H	α-helix	trans	-64.9	-14.4	176.4	-168.2	166.4	-176.3	169.7	0	113.7	K93 V95	K93-K97 PolarHBondContact O-N 2.9Å; V95-K97 PolarHBondContact O-N 2.8Å
98	Y	53.6	Low	65.1	Low	57 Å²	57	90 Å²	90	22%	0.224	46%	0.459	C	S	.	.	H	α-helix	trans	-92.5	-38.6	175.5	-141.5	-89.3	0	0	0	112.6	K94 V95 A96 A100 K101 F102 L115 R123 V125	K94-Y98 PolarHBondContact O-N 2.77Å; V95-Y98 WeakPolarHBondContact O-CB 3.43Å; V95-Y98 PolarHBondContact O-N 2.79Å; A96-Y98 PolarHBondContact O-N 3.38Å; A96-Y98 VanDerWaalsContact O-N 3.13Å; Y98-A100 VanDerWaalsContact C-N 3.32Å; Y98-A100 PolarHBondContact O-N 2.9Å; Y98-K101 PolarHBondContact O-N 3.04Å; Y98-K101 VanDerWaalsContact O-N 3.15Å; Y98-F102 HydrophobicContact CD1-CD2 4.35Å; Y98-F102 AromaticContact CD1-CE2 3.84Å; Y98-F102 HydrophobicContact CD1-CE2 3.84Å; Y98-F102 AromaticContact CE1-CE2 3.63Å; Y98-F102 HydrophobicContact CE1-CE2 3.63Å; Y98-F102 HydrophobicContact CE1-CZ 4.32Å; Y98-L115 WeakPolarHBondContact OH-CD1 3.48Å; Y98-L115 WeakPolarHBondContact OH-CD2 3.2Å; Y98-R123 PolarHBondContact OH-NE 2.89Å; Y98-R123 PolarHBondContact OH-NH1 3.34Å; Y98-R123 PolarHBondContact OH-NH2 3.16Å; Y98-V125 HydrophobicContact CE1-CG2 4.13Å
99	R	57.9	Low	67.6	Low	107 Å²	107	90.9 Å²	90.9	40%	0.404	46%	0.455	S	S	.	.	H	α-helix	trans	-58.3	-41.2	178.6	-76.7	-179.9	178.6	-178.7	-0.1	112.2	V95 A96 K101 F102 E111 L112	V95-R99 HydrophobicContact CG1-CG 4.34Å; V95-R99 PolarHBondContact O-N 3.29Å; A96-R99 PolarHBondContact O-N 3.14Å; R99-K101 PolarHBondContact O-N 3Å; R99-F102 PolarHBondContact O-N 2.81Å; R99-F102 VanDerWaalsContact O-N 3.17Å; R99-E111 IonicContact NH2-OE1 3.66Å; R99-L112 HydrophobicContact CG-CB 4.49Å; R99-L112 HydrophobicContact CG-CD1 4.07Å; R99-L112 HydrophobicContact CG-CG 4.49Å; R99-L112 PolarHBondContact NH2-O 3.3Å
100	A	57.6	Low	70.1	Confident	94 Å²	94	88.7 Å²	88.7	78%	0.777	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	6.8	177.1	0	0	0	0	0	115.6	Y98	Y98-A100 VanDerWaalsContact C-N 3.32Å; Y98-A100 PolarHBondContact O-N 2.9Å
101	K	73.9	Confident	72.7	Confident	143 Å²	143	86.6 Å²	86.6	62%	0.622	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-0.5	175.8	-62	-160	172.9	-155.4	0	114.5	Y98 R99 R179	Y98-K101 PolarHBondContact O-N 3.04Å; Y98-K101 VanDerWaalsContact O-N 3.15Å; R99-K101 PolarHBondContact O-N 3Å; K101-R179 PolarHBondContact O-NH1 3.46Å
102	F	86.3	Confident	75.1	Confident	18 Å²	18	80.1 Å²	80.1	8%	0.079	39%	0.394	C	S	.	.	S	Bend	trans	-99.2	155	175	-85.9	-114.8	0	0	0	110.4	Y98 R99 V106 T107 L112 V125 I138 Y181	Y98-F102 HydrophobicContact CD1-CD2 4.35Å; Y98-F102 AromaticContact CD1-CE2 3.84Å; Y98-F102 HydrophobicContact CD1-CE2 3.84Å; Y98-F102 AromaticContact CE1-CE2 3.63Å; Y98-F102 HydrophobicContact CE1-CE2 3.63Å; Y98-F102 HydrophobicContact CE1-CZ 4.32Å; R99-F102 PolarHBondContact O-N 2.81Å; R99-F102 VanDerWaalsContact O-N 3.17Å; F102-V106 HydrophobicContact CD1-CG1 4.05Å; F102-T107 HydrophobicContact CB-CG2 3.58Å; F102-L112 HydrophobicContact CB-CD1 4.06Å; F102-L112 HydrophobicContact CD1-CD1 3.98Å; F102-L112 HydrophobicContact CD1-CD2 3.98Å; F102-L112 HydrophobicContact CD2-CD1 3.74Å; F102-L112 HydrophobicContact CE1-CD1 4.42Å; F102-L112 HydrophobicContact CE1-CD2 4.17Å; F102-L112 HydrophobicContact CE2-CD1 4.23Å; F102-L112 HydrophobicContact CG-CD1 3.63Å; F102-L112 HydrophobicContact CG-CD2 4.47Å; F102-V125 HydrophobicContact CZ-CB 4.45Å; F102-V125 HydrophobicContact CZ-CG2 3.87Å; F102-I138 HydrophobicContact CE1-CG2 4.4Å; F102-Y181 HydrophobicContact CB-CE1 4.49Å; F102-Y181 AromaticContact CD1-CD1 3.84Å; F102-Y181 HydrophobicContact CD1-CD1 3.84Å; F102-Y181 AromaticContact CD1-CE1 3.56Å; F102-Y181 HydrophobicContact CD1-CE1 3.56Å; F102-Y181 AromaticContact CE1-CD1 3.84Å; F102-Y181 HydrophobicContact CE1-CD1 3.84Å; F102-Y181 AromaticContact CE1-CE1 3.83Å; F102-Y181 HydrophobicContact CE1-CE1 3.83Å; F102-Y181 HydrophobicContact CG-CE1 4.05Å; F102-Y181 HydrophobicContact CZ-CE1 4.49Å
103	D	91	Very high	77.3	Confident	19 Å²	19	74.2 Å²	74.2	10%	0.102	37%	0.374	C	S	.	.			trans	-60.4	139.2	177.7	-172.9	-72.4	0	0	0	111.5	R105 V106 T107 T176 Y181	D103-R105 PolarHBondContact O-N 2.97Å; D103-R105 WeakPolarHBondContact OD1-CA 3.5Å; D103-R105 WeakPolarHBondContact OD1-CB 3.48Å; D103-R105 WeakPolarHBondContact OD1-CG 3.42Å; D103-R105 IonicContact OD1-CZ 3.74Å; D103-R105 PolarHBondContact OD1-N 3.3Å; D103-R105 IonicContact OD1-NE 3.38Å; D103-R105 PolarHBondContact OD1-NE 3.42Å; D103-R105 IonicContact OD1-NH2 3.71Å; D103-R105 IonicContact OD2-CZ 3.48Å; D103-R105 IonicContact OD2-NE 3.46Å; D103-R105 PolarHBondContact OD2-NE 3.29Å; D103-R105 IonicContact OD2-NH2 2.72Å; D103-R105 PolarHBondContact OD2-NH2 3.22Å; D103-V106 HydrophobicContact CB-CB 4.36Å; D103-V106 HydrophobicContact CB-CG2 3.98Å; D103-V106 PolarHBondContact O-N 3.38Å; D103-V106 VanDerWaalsContact O-N 3.12Å; D103-T107 PolarHBondContact O-N 3.42Å; D103-T107 PolarHBondContact O-OG1 3.38Å; D103-T176 WeakPolarHBondContact OD2-CG2 3.47Å; D103-Y181 HydrophobicContact CB-CE2 3.82Å; D103-Y181 PolarHBondContact N-OH 2.88Å
104	P	92.4	Very high	79.7	Confident	99 Å²	99	70.2 Å²	70.2	64%	0.643	37%	0.366	S	S	*	.	H	α-helix	trans	-54.3	-36.7	176.7	-28.6	36.8	0	0	0	113.8	T107 A108	P104-T107 WeakPolarHBondContact CA-OG1 3.11Å; P104-T107 PolarHBondContact O-N 3.14Å; P104-T107 PolarHBondContact O-OG1 3.16Å; P104-A108 WeakPolarHBondContact O-CB 3.26Å; P104-A108 PolarHBondContact O-N 3.4Å
105	R	94.6	Very high	81.6	Confident	124 Å²	124	65.5 Å²	65.5	47%	0.468	35%	0.348	S	S	.	.	H	α-helix	trans	-66.5	-39.5	178.5	-57.3	167.1	-69.7	170.8	-0.7	111.6	D103 K109 F174 E175	D103-R105 PolarHBondContact O-N 2.97Å; D103-R105 WeakPolarHBondContact OD1-CA 3.5Å; D103-R105 WeakPolarHBondContact OD1-CB 3.48Å; D103-R105 WeakPolarHBondContact OD1-CG 3.42Å; D103-R105 IonicContact OD1-CZ 3.74Å; D103-R105 PolarHBondContact OD1-N 3.3Å; D103-R105 IonicContact OD1-NE 3.38Å; D103-R105 PolarHBondContact OD1-NE 3.42Å; D103-R105 IonicContact OD1-NH2 3.71Å; D103-R105 IonicContact OD2-CZ 3.48Å; D103-R105 IonicContact OD2-NE 3.46Å; D103-R105 PolarHBondContact OD2-NE 3.29Å; D103-R105 IonicContact OD2-NH2 2.72Å; D103-R105 PolarHBondContact OD2-NH2 3.22Å; R105-K109 PolarHBondContact O-N 2.71Å; R105-F174 HydrophobicContact CB-CD1 3.78Å; R105-F174 HydrophobicContact CB-CE1 3.86Å; R105-E175 PolarHBondContact NH2-O 2.73Å
106	V	94.9	Very high	83.4	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-66.1	-49.1	174.7	178.1	0	0	0	0	110.2	F102 D103 A108 K109 Y110 I138 F174 Y181	F102-V106 HydrophobicContact CD1-CG1 4.05Å; D103-V106 HydrophobicContact CB-CB 4.36Å; D103-V106 HydrophobicContact CB-CG2 3.98Å; D103-V106 PolarHBondContact O-N 3.38Å; D103-V106 VanDerWaalsContact O-N 3.12Å; V106-A108 VanDerWaalsContact C-N 3.27Å; V106-A108 PolarHBondContact O-N 3.3Å; V106-K109 PolarHBondContact O-N 3.44Å; V106-Y110 WeakPolarHBondContact O-CB 3.47Å; V106-Y110 PolarHBondContact O-N 3.12Å; V106-I138 HydrophobicContact CG1-CD1 3.57Å; V106-F174 HydrophobicContact CG2-CB 3.7Å; V106-F174 HydrophobicContact CG2-CD1 3.89Å; V106-F174 HydrophobicContact CG2-CD2 3.61Å; V106-F174 HydrophobicContact CG2-CE1 4.4Å; V106-F174 HydrophobicContact CG2-CE2 4.16Å; V106-F174 HydrophobicContact CG2-CG 3.46Å; V106-F174 VanDerWaalsContact CG2-CG 3.46Å; V106-Y181 HydrophobicContact CG2-CD1 4.3Å; V106-Y181 HydrophobicContact CG2-CD2 4.16Å; V106-Y181 HydrophobicContact CG2-CG 3.97Å
107	T	94.9	Very high	84.9	Confident	39 Å²	39	65.8 Å²	65.8	24%	0.239	34%	0.344	C	S	.	.	H	α-helix	trans	-74.1	-14.8	-179.1	58.4	0	0	0	0	113.9	F102 D103 P104 L112 K130	F102-T107 HydrophobicContact CB-CG2 3.58Å; D103-T107 PolarHBondContact O-N 3.42Å; D103-T107 PolarHBondContact O-OG1 3.38Å; P104-T107 WeakPolarHBondContact CA-OG1 3.11Å; P104-T107 PolarHBondContact O-N 3.14Å; P104-T107 PolarHBondContact O-OG1 3.16Å; T107-L112 HydrophobicContact CG2-CD1 4.28Å; T107-K130 VanDerWaalsContact O-CE 3.25Å; T107-K130 WeakPolarHBondContact O-CE 3.06Å; T107-K130 PolarHBondContact O-NZ 3.38Å
108	A	95.6	Very high	86.5	Confident	61 Å²	61	66.5 Å²	66.5	50%	0.504	34%	0.342	S	S	.	.	H	α-helix	trans	-69.5	-50.9	168.2	0	0	0	0	0	111.3	P104 V106 K130	P104-A108 WeakPolarHBondContact O-CB 3.26Å; P104-A108 PolarHBondContact O-N 3.4Å; V106-A108 VanDerWaalsContact C-N 3.27Å; V106-A108 PolarHBondContact O-N 3.3Å; A108-K130 VanDerWaalsContact O-CD 3.31Å; A108-K130 WeakPolarHBondContact O-CD 3.48Å; A108-K130 WeakPolarHBondContact O-CE 3.3Å; A108-K130 PolarHBondContact O-NZ 2.79Å
109	K	97.3	Very high	87.7	Confident	84 Å²	84	65.9 Å²	65.9	37%	0.365	35%	0.353	S	S	.	.	H	α-helix	trans	-80.8	-35.6	179.8	-62.9	-161.3	-163.4	177.1	0	114.6	R105 V106 H129 K130 E172 F174	R105-K109 PolarHBondContact O-N 2.71Å; V106-K109 PolarHBondContact O-N 3.44Å; K109-H129 PolarHBondContact O-CD2 3.37Å; K109-K130 WeakPolarHBondContact O-CB 3.48Å; K109-K130 WeakPolarHBondContact O-CG 3.43Å; K109-K130 PolarHBondContact O-N 3.18Å; K109-E172 IonicContact NZ-OE1 3.28Å; K109-E172 PolarHBondContact NZ-OE1 2.91Å; K109-E172 IonicContact NZ-OE2 2.65Å; K109-E172 PolarHBondContact NZ-OE2 2.87Å; K109-F174 HydrophobicContact CD-CZ 4.15Å
110	Y	97.2	Very high	88.6	Confident	13 Å²	13	64.4 Å²	64.4	5%	0.051	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	135	-167.7	-63.9	-81.8	0	0	0	113.4	V106 V127 H129 Y136 I138 F174 V183	V106-Y110 WeakPolarHBondContact O-CB 3.47Å; V106-Y110 PolarHBondContact O-N 3.12Å; Y110-V127 HydrophobicContact CD1-CB 4.47Å; Y110-V127 HydrophobicContact CD1-CG2 3.63Å; Y110-V127 HydrophobicContact CE1-CG2 4.4Å; Y110-V127 HydrophobicContact CG-CG2 4.11Å; Y110-H129 HydrophobicContact CD1-CB 4.03Å; Y110-H129 HydrophobicContact CE1-CB 3.8Å; Y110-H129 AromaticContact CE1-CD2 3.67Å; Y110-H129 AromaticContact CZ-CD2 3.89Å; Y110-Y136 HydrophobicContact CD1-CD2 4.45Å; Y110-Y136 AromaticContact CE1-CD2 3.76Å; Y110-Y136 HydrophobicContact CE1-CD2 3.76Å; Y110-Y136 HydrophobicContact CE1-CE2 4.22Å; Y110-Y136 HydrophobicContact CE1-CG 4.49Å; Y110-I138 HydrophobicContact CD2-CD1 4.27Å; Y110-I138 HydrophobicContact CG-CD1 4.24Å; Y110-F174 HydrophobicContact CD2-CE2 4.43Å; Y110-F174 AromaticContact CE2-CE2 3.92Å; Y110-F174 HydrophobicContact CE2-CE2 3.92Å; Y110-F174 HydrophobicContact CE2-CZ 4.05Å; Y110-V183 HydrophobicContact CE1-CG1 4.01Å; Y110-V183 HydrophobicContact CE2-CG1 4.5Å; Y110-V183 HydrophobicContact CE2-CG2 3.93Å
111	E	96	Very high	89.8	Confident	48 Å²	48	62.2 Å²	62.2	22%	0.224	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	106.1	171.7	-157.3	-155.7	134.7	0	0	109.5	R99 K113 V127 E128 K130 R133	R99-E111 IonicContact NH2-OE1 3.66Å; E111-K113 VanDerWaalsContact CD-CE 3.46Å; E111-K113 PolarHBondContact O-N 3.45Å; E111-K113 VanDerWaalsContact OE1-CE 3.31Å; E111-K113 WeakPolarHBondContact OE1-CE 3.33Å; E111-K113 IonicContact OE1-NZ 3.47Å; E111-K113 PolarHBondContact OE1-NZ 3.24Å; E111-K113 IonicContact OE2-NZ 3.27Å; E111-K113 PolarHBondContact OE2-NZ 3.33Å; E111-V127 WeakPolarHBondContact O-CA 3.35Å; E111-E128 HydrophobicContact CB-CB 4.49Å; E111-E128 PolarHBondContact N-O 3.29Å; E111-E128 PolarHBondContact O-N 3.38Å; E111-K130 HydrophobicContact CB-CG 4.27Å; E111-R133 IonicContact OE2-CZ 3.7Å; E111-R133 IonicContact OE2-NH1 2.89Å; E111-R133 PolarHBondContact OE2-NH1 2.84Å; E111-R133 IonicContact OE2-NH2 3.55Å; E111-R133 PolarHBondContact OE2-NH2 2.8Å
112	L	94.5	Very high	90.4	Very high	8 Å²	8	56.6 Å²	56.6	4%	0.042	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	129.4	176.5	-51.2	-174.3	0	0	0	110.7	R99 F102 T107 V125 V127	R99-L112 HydrophobicContact CG-CB 4.49Å; R99-L112 HydrophobicContact CG-CD1 4.07Å; R99-L112 HydrophobicContact CG-CG 4.49Å; R99-L112 PolarHBondContact NH2-O 3.3Å; F102-L112 HydrophobicContact CB-CD1 4.06Å; F102-L112 HydrophobicContact CD1-CD1 3.98Å; F102-L112 HydrophobicContact CD1-CD2 3.98Å; F102-L112 HydrophobicContact CD2-CD1 3.74Å; F102-L112 HydrophobicContact CE1-CD1 4.42Å; F102-L112 HydrophobicContact CE1-CD2 4.17Å; F102-L112 HydrophobicContact CE2-CD1 4.23Å; F102-L112 HydrophobicContact CG-CD1 3.63Å; F102-L112 HydrophobicContact CG-CD2 4.47Å; T107-L112 HydrophobicContact CG2-CD1 4.28Å; L112-V125 HydrophobicContact CD2-CG1 4.48Å; L112-V127 HydrophobicContact CD2-CG1 3.56Å
113	K	94.3	Very high	90.6	Very high	73 Å²	73	59.3 Å²	59.3	32%	0.317	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-74.1	179.8	-52.9	-64.7	-173.2	160.4	0	112.6	E111 R126 E128	E111-K113 VanDerWaalsContact CD-CE 3.46Å; E111-K113 PolarHBondContact O-N 3.45Å; E111-K113 VanDerWaalsContact OE1-CE 3.31Å; E111-K113 WeakPolarHBondContact OE1-CE 3.33Å; E111-K113 IonicContact OE1-NZ 3.47Å; E111-K113 PolarHBondContact OE1-NZ 3.24Å; E111-K113 IonicContact OE2-NZ 3.27Å; E111-K113 PolarHBondContact OE2-NZ 3.33Å; K113-R126 WeakPolarHBondContact CB-O 3.38Å; K113-R126 PolarHBondContact N-O 2.82Å; K113-E128 WeakPolarHBondContact CE-OE2 3.44Å; K113-E128 IonicContact NZ-OE2 2.75Å; K113-E128 PolarHBondContact NZ-OE2 2.96Å
114	A	92.8	Very high	90.7	Very high	49 Å²	49	59.9 Å²	59.9	41%	0.405	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	143.8	-166.5	0	0	0	0	0	112.2	I116 V125 R126	A114-I116 PolarHBondContact O-N 3.36Å; A114-V125 CarbonylContact O-C 3.56Å; A114-V125 WeakPolarHBondContact O-CA 3.22Å; A114-V125 WeakPolarHBondContact O-CG1 3.28Å; A114-R126 PolarHBondContact N-O 2.61Å; A114-R126 PolarHBondContact O-N 3.36Å
115	L	91.3	Very high	90.8	Very high	59 Å²	59	55.3 Å²	55.3	31%	0.309	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	112.1	173.5	178.6	64.9	0	0	0	109.2	Y98 G117 R118 R123 V124 V125	Y98-L115 WeakPolarHBondContact OH-CD1 3.48Å; Y98-L115 WeakPolarHBondContact OH-CD2 3.2Å; L115-G117 WeakPolarHBondContact CD1-O 3.3Å; L115-R118 HydrophobicContact CD2-CG 4.14Å; L115-R118 VanDerWaalsContact CD2-NE 3.32Å; L115-R118 HydrophobicContact CG-CG 4.47Å; L115-R123 HydrophobicContact CD1-CB 4.1Å; L115-V124 WeakPolarHBondContact CD1-O 3.48Å; L115-V125 HydrophobicContact CD1-CG2 3.86Å
116	I	88.6	Confident	90.9	Very high	89 Å²	89	54.9 Å²	54.9	46%	0.456	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-16.2	-175.1	60.9	173.1	0	0	0	113.8	A114 V124 R126 A137 L186	A114-I116 PolarHBondContact O-N 3.36Å; I116-V124 HydrophobicContact CD1-CG1 3.92Å; I116-V124 HydrophobicContact CG1-CB 4.08Å; I116-V124 HydrophobicContact CG1-CG1 3.8Å; I116-V124 VanDerWaalsContact CG1-O 3.29Å; I116-V124 WeakPolarHBondContact CG1-O 3.45Å; I116-V124 PolarHBondContact N-O 3.17Å; I116-R126 HydrophobicContact CD1-CB 4.29Å; I116-R126 HydrophobicContact CG2-CB 3.86Å; I116-A137 HydrophobicContact CD1-CB 4.38Å; I116-L186 HydrophobicContact CD1-CD1 3.64Å
117	G	85.3	Confident	91	Very high	22 Å²	22	54.9 Å²	54.9	23%	0.227	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	155.5	177.4	0	0	0	0	0	114.3	L115 V124	L115-G117 WeakPolarHBondContact CD1-O 3.3Å; G117-V124 PolarHBondContact N-O 3.03Å; G117-V124 PolarHBondContact O-N 2.88Å
118	R	86.4	Confident	91.1	Very high	190 Å²	190	55 Å²	55	72%	0.717	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.4	115.4	174.8	-62.6	-175.4	-172.9	-161.3	4.2	110.5	L115	L115-R118 HydrophobicContact CD2-CG 4.14Å; L115-R118 VanDerWaalsContact CD2-NE 3.32Å; L115-R118 HydrophobicContact CG-CG 4.47Å
119	G	78.6	Confident	91.2	Very high	45 Å²	45	53.9 Å²	53.9	46%	0.464	28%	0.275	S	S	.	.			trans	-92.4	-166.8	163.8	0	0	0	0	0	111.8	S122	G119-S122 WeakPolarHBondContact CA-OG 3.2Å; G119-S122 PolarHBondContact N-O 2.88Å
120	S	77.6	Confident	91.2	Very high	76 Å²	76	54.4 Å²	54.4	53%	0.531	28%	0.278	S	S	.	.	S	Bend	trans	-74.1	-40	178	-60.9	0	0	0	0	113.1	S412	S120-S412 WeakPolarHBondContact CB-OG 3.38Å; S120-S412 VanDerWaalsContact OG-CB 3.27Å; S120-S412 WeakPolarHBondContact OG-CB 3.38Å; S120-S412 PolarHBondContact OG-OG 3.02Å
121	F	81.8	Confident	91.2	Very high	48 Å²	48	58.4 Å²	58.4	21%	0.211	31%	0.307	C	S	.	.	S	Bend	trans	-120.2	8.2	179.3	-51.6	-73.2	0	0	0	111.9	I141 E142 Y145 E147	F121-I141 WeakPolarHBondContact O-CA 3.42Å; F121-E142 PolarHBondContact O-N 3.22Å; F121-Y145 AromaticContact CD1-CD2 3.79Å; F121-Y145 HydrophobicContact CD1-CD2 3.79Å; F121-Y145 HydrophobicContact CD1-CG 4.23Å; F121-Y145 HydrophobicContact CE1-CD2 4.15Å; F121-Y145 HydrophobicContact CE1-CG 4.22Å; F121-E147 HydrophobicContact CD2-CB 4.43Å; F121-E147 HydrophobicContact CE2-CB 3.77Å; F121-E147 HydrophobicContact CZ-CB 4.04Å
122	S	87.1	Confident	91.3	Very high	24 Å²	24	60.3 Å²	60.3	17%	0.168	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	153.6	-168.3	62.7	0	0	0	0	113.2	G119 M140	G119-S122 WeakPolarHBondContact CA-OG 3.2Å; G119-S122 PolarHBondContact N-O 2.88Å; S122-M140 CarbonylContact C-O 3.5Å; S122-M140 WeakPolarHBondContact CA-O 3.44Å; S122-M140 WeakPolarHBondContact CB-O 3.47Å
123	R	90.8	Very high	91.4	Very high	76 Å²	76	65.5 Å²	65.5	29%	0.287	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	126.9	-178.9	-48	-178.5	94.3	-176.3	7	108.7	Y98 L115 M140	Y98-R123 PolarHBondContact OH-NE 2.89Å; Y98-R123 PolarHBondContact OH-NH1 3.34Å; Y98-R123 PolarHBondContact OH-NH2 3.16Å; L115-R123 HydrophobicContact CD1-CB 4.1Å; R123-M140 HydrophobicContact CB-CE 4.16Å; R123-M140 HydrophobicContact CG-CE 3.79Å; R123-M140 PolarHBondContact N-O 3.27Å; R123-M140 PolarHBondContact O-N 3.12Å
124	V	92.9	Very high	91.5	Very high	30 Å²	30	66 Å²	66	18%	0.182	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	120.1	-178.9	-167.5	0	0	0	0	109.1	L115 I116 G117 A137 I138 K139	L115-V124 WeakPolarHBondContact CD1-O 3.48Å; I116-V124 HydrophobicContact CD1-CG1 3.92Å; I116-V124 HydrophobicContact CG1-CB 4.08Å; I116-V124 HydrophobicContact CG1-CG1 3.8Å; I116-V124 VanDerWaalsContact CG1-O 3.29Å; I116-V124 WeakPolarHBondContact CG1-O 3.45Å; I116-V124 PolarHBondContact N-O 3.17Å; G117-V124 PolarHBondContact N-O 3.03Å; G117-V124 PolarHBondContact O-N 2.88Å; V124-A137 HydrophobicContact CG1-CB 4.06Å; V124-I138 CarbonylContact C-O 3.56Å; V124-I138 WeakPolarHBondContact CA-O 3.42Å; V124-K139 HydrophobicContact CG2-CB 4.41Å; V124-K139 HydrophobicContact CG2-CG 4.17Å
125	V	94.9	Very high	91.7	Very high	3 Å²	3	65.8 Å²	65.8	2%	0.018	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.3	-176.2	177.3	0	0	0	0	109.5	Y98 F102 L112 A114 L115 V127 I138	Y98-V125 HydrophobicContact CE1-CG2 4.13Å; F102-V125 HydrophobicContact CZ-CB 4.45Å; F102-V125 HydrophobicContact CZ-CG2 3.87Å; L112-V125 HydrophobicContact CD2-CG1 4.48Å; A114-V125 CarbonylContact O-C 3.56Å; A114-V125 WeakPolarHBondContact O-CA 3.22Å; A114-V125 WeakPolarHBondContact O-CG1 3.28Å; L115-V125 HydrophobicContact CD1-CG2 3.86Å; V125-V127 HydrophobicContact CG1-CG1 4.05Å; V125-V127 PolarHBondContact O-N 2.86Å; V125-I138 PolarHBondContact N-O 2.98Å; V125-I138 PolarHBondContact O-N 3.39Å
126	R	95.9	Very high	92	Very high	115 Å²	115	64.9 Å²	64.9	43%	0.434	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	127.2	165.9	178.7	174.4	178.1	-176.8	-0.7	108.7	K113 A114 I116 L186	K113-R126 WeakPolarHBondContact CB-O 3.38Å; K113-R126 PolarHBondContact N-O 2.82Å; A114-R126 PolarHBondContact N-O 2.61Å; A114-R126 PolarHBondContact O-N 3.36Å; I116-R126 HydrophobicContact CD1-CB 4.29Å; I116-R126 HydrophobicContact CG2-CB 3.86Å; R126-L186 HydrophobicContact CB-CD1 4.39Å; R126-L186 HydrophobicContact CG-CD1 4.29Å; R126-L186 HydrophobicContact CG-CD2 3.82Å
127	V	97	Very high	92.4	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	171	175.9	-51.7	0	0	0	0	110.3	Y110 E111 L112 V125 P135 Y136 I138	Y110-V127 HydrophobicContact CD1-CB 4.47Å; Y110-V127 HydrophobicContact CD1-CG2 3.63Å; Y110-V127 HydrophobicContact CE1-CG2 4.4Å; Y110-V127 HydrophobicContact CG-CG2 4.11Å; E111-V127 WeakPolarHBondContact O-CA 3.35Å; L112-V127 HydrophobicContact CD2-CG1 3.56Å; V125-V127 HydrophobicContact CG1-CG1 4.05Å; V125-V127 PolarHBondContact O-N 2.86Å; V127-P135 WeakPolarHBondContact O-CA 3.19Å; V127-Y136 PolarHBondContact N-O 2.83Å; V127-Y136 PolarHBondContact O-N 2.91Å; V127-I138 HydrophobicContact CB-CD1 4.44Å; V127-I138 HydrophobicContact CB-CG1 4.46Å; V127-I138 HydrophobicContact CG1-CB 4.34Å; V127-I138 HydrophobicContact CG1-CD1 3.78Å; V127-I138 HydrophobicContact CG1-CG1 3.8Å; V127-I138 HydrophobicContact CG2-CD1 3.95Å; V127-I138 HydrophobicContact CG2-CG1 3.77Å
128	E	97.6	Very high	93	Very high	42 Å²	42	59.9 Å²	59.9	20%	0.196	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.2	173	-158.8	-178.3	150.7	0	0	108	E111 K113 K130 R133	E111-E128 HydrophobicContact CB-CB 4.49Å; E111-E128 PolarHBondContact N-O 3.29Å; E111-E128 PolarHBondContact O-N 3.38Å; K113-E128 WeakPolarHBondContact CE-OE2 3.44Å; K113-E128 IonicContact NZ-OE2 2.75Å; K113-E128 PolarHBondContact NZ-OE2 2.96Å; E128-K130 PolarHBondContact O-N 3.37Å; E128-R133 WeakPolarHBondContact CG-O 3.44Å; E128-R133 WeakPolarHBondContact OE1-CB 3.27Å; E128-R133 IonicContact OE1-CZ 3.99Å; E128-R133 IonicContact OE1-NE 3.2Å; E128-R133 PolarHBondContact OE1-NE 2.83Å; E128-R133 IonicContact OE1-NH2 2.75Å; E128-R133 PolarHBondContact OE1-NH2 2.94Å; E128-R133 IonicContact OE2-CZ 2.84Å; E128-R133 IonicContact OE2-NH2 2.71Å; E128-R133 PolarHBondContact OE2-NH2 3.24Å
129	H	97.9	Very high	93.4	Very high	37 Å²	37	51.5 Å²	51.5	17%	0.171	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	127.9	178.6	-176.1	-119.3	0	0	0	109.8	K109 Y110 S131 T132 R133 Q134 Y136	K109-H129 PolarHBondContact O-CD2 3.37Å; Y110-H129 HydrophobicContact CD1-CB 4.03Å; Y110-H129 HydrophobicContact CE1-CB 3.8Å; Y110-H129 AromaticContact CE1-CD2 3.67Å; Y110-H129 AromaticContact CZ-CD2 3.89Å; H129-S131 PolarHBondContact CE1-OG 3.05Å; H129-S131 PolarHBondContact O-N 2.82Å; H129-T132 PolarHBondContact ND1-OG1 2.92Å; H129-R133 VanDerWaalsContact O-CA 3.22Å; H129-R133 WeakPolarHBondContact O-CA 3.32Å; H129-R133 PolarHBondContact O-N 3.09Å; H129-Q134 PolarHBondContact N-O 2.96Å; H129-Y136 HydrophobicContact CB-CD2 4.14Å; H129-Y136 HydrophobicContact CB-CE2 3.86Å
130	K	97.5	Very high	94.1	Very high	96 Å²	96	49.8 Å²	49.8	42%	0.417	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-40.8	-162.9	-75.1	-175.4	-166	166.1	0	114.5	T107 A108 K109 E111 E128 R133	T107-K130 VanDerWaalsContact O-CE 3.25Å; T107-K130 WeakPolarHBondContact O-CE 3.06Å; T107-K130 PolarHBondContact O-NZ 3.38Å; A108-K130 VanDerWaalsContact O-CD 3.31Å; A108-K130 WeakPolarHBondContact O-CD 3.48Å; A108-K130 WeakPolarHBondContact O-CE 3.3Å; A108-K130 PolarHBondContact O-NZ 2.79Å; K109-K130 WeakPolarHBondContact O-CB 3.48Å; K109-K130 WeakPolarHBondContact O-CG 3.43Å; K109-K130 PolarHBondContact O-N 3.18Å; E111-K130 HydrophobicContact CB-CG 4.27Å; E128-K130 PolarHBondContact O-N 3.37Å; K130-R133 WeakPolarHBondContact O-CD 3.3Å
131	S	96.8	Very high	94.8	Very high	97 Å²	97	46.3 Å²	46.3	68%	0.678	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-43.2	-176.6	53.5	0	0	0	0	112.9	H129	H129-S131 PolarHBondContact CE1-OG 3.05Å; H129-S131 PolarHBondContact O-N 2.82Å
132	T	97.2	Very high	95.2	Very high	88 Å²	88	46 Å²	46	54%	0.54	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-7	-176.6	62.6	0	0	0	0	114.2	H129 Q134	H129-T132 PolarHBondContact ND1-OG1 2.92Å; T132-Q134 PolarHBondContact O-N 3.31Å
133	R	96.9	Very high	95.3	Very high	117 Å²	117	45.3 Å²	45.3	44%	0.442	22%	0.22	S	C	.	.			trans	55.4	10.4	-172.6	-51.7	-50.1	-56.8	-176.3	5.2	115.1	E111 E128 H129 K130	E111-R133 IonicContact OE2-CZ 3.7Å; E111-R133 IonicContact OE2-NH1 2.89Å; E111-R133 PolarHBondContact OE2-NH1 2.84Å; E111-R133 IonicContact OE2-NH2 3.55Å; E111-R133 PolarHBondContact OE2-NH2 2.8Å; E128-R133 WeakPolarHBondContact CG-O 3.44Å; E128-R133 WeakPolarHBondContact OE1-CB 3.27Å; E128-R133 IonicContact OE1-CZ 3.99Å; E128-R133 IonicContact OE1-NE 3.2Å; E128-R133 PolarHBondContact OE1-NE 2.83Å; E128-R133 IonicContact OE1-NH2 2.75Å; E128-R133 PolarHBondContact OE1-NH2 2.94Å; E128-R133 IonicContact OE2-CZ 2.84Å; E128-R133 IonicContact OE2-NH2 2.71Å; E128-R133 PolarHBondContact OE2-NH2 3.24Å; H129-R133 VanDerWaalsContact O-CA 3.22Å; H129-R133 WeakPolarHBondContact O-CA 3.32Å; H129-R133 PolarHBondContact O-N 3.09Å; K130-R133 WeakPolarHBondContact O-CD 3.3Å
134	Q	96.6	Very high	95.1	Very high	82 Å²	82	47.3 Å²	47.3	38%	0.383	23%	0.228	S	C	.	.			trans	-68.7	129.7	-178.6	-173.6	65.7	10.9	0	0	111	H129 T132 Y136	H129-Q134 PolarHBondContact N-O 2.96Å; T132-Q134 PolarHBondContact O-N 3.31Å; Q134-Y136 HydrophobicContact CB-CE2 3.73Å; Q134-Y136 HydrophobicContact CG-CD2 4.4Å; Q134-Y136 HydrophobicContact CG-CE1 4.21Å; Q134-Y136 HydrophobicContact CG-CE2 3.64Å; Q134-Y136 VanDerWaalsContact O-CD2 3.31Å; Q134-Y136 WeakPolarHBondContact O-CD2 3.42Å
135	P	96.9	Very high	94.8	Very high	46 Å²	46	50.8 Å²	50.8	30%	0.299	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	141.5	178.8	32.1	-35.7	0	0	0	112.3	V127 L186	V127-P135 WeakPolarHBondContact O-CA 3.19Å; P135-L186 HydrophobicContact CB-CD2 3.87Å
136	Y	97.7	Very high	94.3	Very high	39 Å²	39	59.2 Å²	59.2	15%	0.153	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	165.3	179.7	-66.4	-75.3	0	0	0	111.8	Y110 V127 H129 Q134 M171 V183 M184	Y110-Y136 HydrophobicContact CD1-CD2 4.45Å; Y110-Y136 AromaticContact CE1-CD2 3.76Å; Y110-Y136 HydrophobicContact CE1-CD2 3.76Å; Y110-Y136 HydrophobicContact CE1-CE2 4.22Å; Y110-Y136 HydrophobicContact CE1-CG 4.49Å; V127-Y136 PolarHBondContact N-O 2.83Å; V127-Y136 PolarHBondContact O-N 2.91Å; H129-Y136 HydrophobicContact CB-CD2 4.14Å; H129-Y136 HydrophobicContact CB-CE2 3.86Å; Q134-Y136 HydrophobicContact CB-CE2 3.73Å; Q134-Y136 HydrophobicContact CG-CD2 4.4Å; Q134-Y136 HydrophobicContact CG-CE1 4.21Å; Q134-Y136 HydrophobicContact CG-CE2 3.64Å; Q134-Y136 VanDerWaalsContact O-CD2 3.31Å; Q134-Y136 WeakPolarHBondContact O-CD2 3.42Å; Y136-M171 HydrophobicContact CD1-CG 4.07Å; Y136-M171 HydrophobicContact CE1-CE 4.2Å; Y136-M171 HydrophobicContact CE1-CG 3.8Å; Y136-M171 HydrophobicContact CE1-SD 4.47Å; Y136-V183 HydrophobicContact CD1-CG1 4.31Å; Y136-V183 HydrophobicContact CG-CG1 4.04Å; Y136-M184 WeakPolarHBondContact CB-O 3.27Å; Y136-M184 WeakPolarHBondContact CD1-O 3.48Å
137	A	97.1	Very high	93.6	Very high	6 Å²	6	57.9 Å²	57.9	5%	0.05	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.4	166.6	0	0	0	0	0	110.1	I116 V124 M184 L186	I116-A137 HydrophobicContact CD1-CB 4.38Å; V124-A137 HydrophobicContact CG1-CB 4.06Å; A137-M184 PolarHBondContact N-O 3.13Å; A137-M184 PolarHBondContact O-N 3.05Å; A137-L186 HydrophobicContact CB-CD1 3.92Å
138	I	96.9	Very high	92.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	112.2	167.8	-59.9	-169.9	0	0	0	109.5	F102 V106 Y110 V124 V125 V127 M140 Y181 M182 V183	F102-I138 HydrophobicContact CE1-CG2 4.4Å; V106-I138 HydrophobicContact CG1-CD1 3.57Å; Y110-I138 HydrophobicContact CD2-CD1 4.27Å; Y110-I138 HydrophobicContact CG-CD1 4.24Å; V124-I138 CarbonylContact C-O 3.56Å; V124-I138 WeakPolarHBondContact CA-O 3.42Å; V125-I138 PolarHBondContact N-O 2.98Å; V125-I138 PolarHBondContact O-N 3.39Å; V127-I138 HydrophobicContact CB-CD1 4.44Å; V127-I138 HydrophobicContact CB-CG1 4.46Å; V127-I138 HydrophobicContact CG1-CB 4.34Å; V127-I138 HydrophobicContact CG1-CD1 3.78Å; V127-I138 HydrophobicContact CG1-CG1 3.8Å; V127-I138 HydrophobicContact CG2-CD1 3.95Å; V127-I138 HydrophobicContact CG2-CG1 3.77Å; I138-M140 PolarHBondContact O-N 3.25Å; I138-Y181 HydrophobicContact CG2-CD1 4.22Å; I138-M182 CarbonylContact C-O 3.52Å; I138-M182 VanDerWaalsContact CA-O 3.28Å; I138-M182 WeakPolarHBondContact CA-O 3.27Å; I138-V183 HydrophobicContact CD1-CG2 4.06Å; I138-V183 HydrophobicContact CG1-CG1 4.4Å; I138-V183 HydrophobicContact CG1-CG2 4.09Å
139	K	94.9	Very high	92.2	Very high	14 Å²	14	61.7 Å²	61.7	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	101.2	167.3	-170.1	-179	-156.1	-170.7	0	108	V124 I141 E155 M182 M184 D251	V124-K139 HydrophobicContact CG2-CB 4.41Å; V124-K139 HydrophobicContact CG2-CG 4.17Å; K139-I141 HydrophobicContact CD-CD1 4.31Å; K139-I141 HydrophobicContact CG-CD1 4.45Å; K139-I141 HydrophobicContact CG-CG1 4.21Å; K139-E155 WeakPolarHBondContact CE-OE2 3.47Å; K139-E155 IonicContact NZ-OE1 3.94Å; K139-E155 PolarHBondContact NZ-OE1 3.42Å; K139-E155 IonicContact NZ-OE2 3.56Å; K139-E155 PolarHBondContact NZ-OE2 3.38Å; K139-M182 HydrophobicContact CB-CB 4.38Å; K139-M182 PolarHBondContact N-O 3.27Å; K139-M182 PolarHBondContact O-N 2.89Å; K139-M184 HydrophobicContact CB-CE 3.69Å; K139-M184 HydrophobicContact CD-CE 4.39Å; K139-D251 IonicContact NZ-OD1 2.7Å; K139-D251 PolarHBondContact NZ-OD1 3.05Å
140	M	93.9	Very high	91.5	Very high	10 Å²	10	64 Å²	64	5%	0.049	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	132.7	169.6	-174.9	-78.6	-68.1	0	0	108.7	S122 R123 I138 E142 R179 V180 Y181	S122-M140 CarbonylContact C-O 3.5Å; S122-M140 WeakPolarHBondContact CA-O 3.44Å; S122-M140 WeakPolarHBondContact CB-O 3.47Å; R123-M140 HydrophobicContact CB-CE 4.16Å; R123-M140 HydrophobicContact CG-CE 3.79Å; R123-M140 PolarHBondContact N-O 3.27Å; R123-M140 PolarHBondContact O-N 3.12Å; I138-M140 PolarHBondContact O-N 3.25Å; M140-E142 HydrophobicContact CE-CG 4.26Å; M140-E142 HydrophobicContact SD-CG 3.95Å; M140-R179 HydrophobicContact SD-CB 4.43Å; M140-R179 HydrophobicContact SD-CG 4.18Å; M140-V180 CarbonylContact C-O 3.53Å; M140-V180 VanDerWaalsContact CA-O 3.3Å; M140-V180 WeakPolarHBondContact CA-O 3.4Å; M140-Y181 HydrophobicContact CB-CD1 3.82Å; M140-Y181 HydrophobicContact CB-CE1 4.14Å; M140-Y181 HydrophobicContact CG-CD1 3.56Å; M140-Y181 HydrophobicContact CG-CE1 3.44Å; M140-Y181 VanDerWaalsContact CG-CE1 3.44Å; M140-Y181 HydrophobicContact CG-CG 4.34Å
141	I	91.6	Very high	90.7	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	135.8	175.2	-49.1	-170.4	0	0	0	109.6	F121 K139 T143 G148 C152 R179 V180 M182	F121-I141 WeakPolarHBondContact O-CA 3.42Å; K139-I141 HydrophobicContact CD-CD1 4.31Å; K139-I141 HydrophobicContact CG-CD1 4.45Å; K139-I141 HydrophobicContact CG-CG1 4.21Å; I141-T143 PolarHBondContact O-N 2.7Å; I141-G148 WeakPolarHBondContact CG2-O 3.23Å; I141-C152 HydrophobicContact CD1-CB 4.18Å; I141-C152 HydrophobicContact CG2-CB 4.28Å; I141-R179 VanDerWaalsContact O-CA 3.26Å; I141-R179 WeakPolarHBondContact O-CA 3.38Å; I141-V180 PolarHBondContact N-O 2.65Å; I141-V180 PolarHBondContact O-N 2.67Å; I141-M182 HydrophobicContact CD1-CE 3.62Å; I141-M182 HydrophobicContact CG1-CE 4.36Å
142	E	90.5	Very high	90.3	Very high	41 Å²	41	57.2 Å²	57.2	19%	0.192	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	99.6	175.6	-63	-173.3	-166.9	0	0	111.1	F121 M140 R144 Y145 E178	F121-E142 PolarHBondContact O-N 3.22Å; M140-E142 HydrophobicContact CE-CG 4.26Å; M140-E142 HydrophobicContact SD-CG 3.95Å; E142-R144 VanDerWaalsContact C-N 3.33Å; E142-R144 HydrophobicContact CB-CG 4.32Å; E142-R144 IonicContact OE2-CZ 3.86Å; E142-R144 IonicContact OE2-NE 2.77Å; E142-R144 PolarHBondContact OE2-NE 3.09Å; E142-R144 IonicContact OE2-NH2 3.81Å; E142-R144 PolarHBondContact OE2-NH2 3.05Å; E142-Y145 HydrophobicContact CB-CD2 4.39Å; E142-E178 CarbonylContact C-O 3.48Å; E142-E178 WeakPolarHBondContact CA-O 3.48Å
143	T	90.5	Very high	89.8	Confident	11 Å²	11	58.6 Å²	58.6	7%	0.067	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	0	-177.4	56.4	0	0	0	0	114.3	I141 Y145 R149 C152 E178 R179 V180	I141-T143 PolarHBondContact O-N 2.7Å; T143-Y145 PolarHBondContact O-N 3Å; T143-R149 PolarHBondContact O-NE 2.79Å; T143-R149 PolarHBondContact O-NH2 3.19Å; T143-R149 VanDerWaalsContact O-NH2 3.16Å; T143-C152 HydrophobicContact CG2-CB 3.93Å; T143-E178 PolarHBondContact N-O 3.43Å; T143-E178 PolarHBondContact OG1-O 3.07Å; T143-R179 PolarHBondContact OG1-N 2.96Å; T143-V180 HydrophobicContact CG2-CB 4.35Å; T143-V180 HydrophobicContact CG2-CG2 3.88Å
144	R	86.9	Confident	89.2	Confident	117 Å²	117	55.3 Å²	55.3	44%	0.442	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-26.1	165.8	65.2	-175.5	179.6	140.8	2	113.4	E142 E178	E142-R144 VanDerWaalsContact C-N 3.33Å; E142-R144 HydrophobicContact CB-CG 4.32Å; E142-R144 IonicContact OE2-CZ 3.86Å; E142-R144 IonicContact OE2-NE 2.77Å; E142-R144 PolarHBondContact OE2-NE 3.09Å; E142-R144 IonicContact OE2-NH2 3.81Å; E142-R144 PolarHBondContact OE2-NH2 3.05Å; R144-E178 HydrophobicContact CB-CB 4.2Å; R144-E178 HydrophobicContact CB-CG 4.2Å; R144-E178 PolarHBondContact N-O 3.2Å
145	Y	86.3	Confident	88.9	Confident	103 Å²	103	51.5 Å²	51.5	40%	0.404	23%	0.232	S	C	.	.	S	Bend	trans	-95.6	140.4	171.8	-58.4	-66.9	0	0	0	110.4	F121 E142 T143 E147 G148 R149	F121-Y145 AromaticContact CD1-CD2 3.79Å; F121-Y145 HydrophobicContact CD1-CD2 3.79Å; F121-Y145 HydrophobicContact CD1-CG 4.23Å; F121-Y145 HydrophobicContact CE1-CD2 4.15Å; F121-Y145 HydrophobicContact CE1-CG 4.22Å; E142-Y145 HydrophobicContact CB-CD2 4.39Å; T143-Y145 PolarHBondContact O-N 3Å; Y145-E147 VanDerWaalsContact C-N 3.34Å; Y145-E147 PolarHBondContact O-N 2.86Å; Y145-G148 PolarHBondContact O-N 2.88Å; Y145-G148 VanDerWaalsContact O-N 3.14Å; Y145-R149 PolarHBondContact O-N 3.34Å
146	R	83.8	Confident	88.6	Confident	181 Å²	181	49.7 Å²	49.7	68%	0.683	22%	0.22	S	C	*	.	H	α-helix	trans	-57.5	-46.2	-178.5	178.5	179.2	167.1	155.3	6	111.7	G148 R149 E150	R146-G148 VanDerWaalsContact C-N 3.31Å; R146-G148 PolarHBondContact O-N 3.3Å; R146-R149 WeakPolarHBondContact O-CB 3.43Å; R146-R149 PolarHBondContact O-N 2.7Å; R146-R149 VanDerWaalsContact O-N 3.14Å; R146-E150 HydrophobicContact CG-CG 4.41Å; R146-E150 IonicContact CZ-OE1 3.2Å; R146-E150 IonicContact NE-OE1 2.73Å; R146-E150 PolarHBondContact NE-OE1 3.3Å; R146-E150 IonicContact NH2-OE1 2.77Å; R146-E150 PolarHBondContact NH2-OE1 3.17Å; R146-E150 WeakPolarHBondContact O-CG 3.41Å; R146-E150 PolarHBondContact O-N 2.99Å
147	E	80.3	Confident	88.3	Confident	87 Å²	87	50.9 Å²	50.9	41%	0.407	23%	0.233	S	C	.	.	H	α-helix	trans	-65.4	-34.5	179.2	-59.6	94.2	140.8	0	0	112.4	F121 Y145 R149 V151	F121-E147 HydrophobicContact CD2-CB 4.43Å; F121-E147 HydrophobicContact CE2-CB 3.77Å; F121-E147 HydrophobicContact CZ-CB 4.04Å; Y145-E147 VanDerWaalsContact C-N 3.34Å; Y145-E147 PolarHBondContact O-N 2.86Å; E147-R149 VanDerWaalsContact C-N 3.33Å; E147-V151 WeakPolarHBondContact O-CB 3.4Å; E147-V151 VanDerWaalsContact O-CG2 3.27Å; E147-V151 WeakPolarHBondContact O-CG2 3.25Å; E147-V151 PolarHBondContact O-N 3.14Å
148	G	80.4	Confident	88	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.6	-36.3	173.5	0	0	0	0	0	112.1	I141 Y145 R146 C152	I141-G148 WeakPolarHBondContact CG2-O 3.23Å; Y145-G148 PolarHBondContact O-N 2.88Å; Y145-G148 VanDerWaalsContact O-N 3.14Å; R146-G148 VanDerWaalsContact C-N 3.31Å; R146-G148 PolarHBondContact O-N 3.3Å; G148-C152 WeakPolarHBondContact O-CB 3.41Å; G148-C152 PolarHBondContact O-N 3.44Å
149	R	85.3	Confident	87.9	Confident	121 Å²	121	50.8 Å²	50.8	46%	0.457	23%	0.232	S	C	.	.	H	α-helix	trans	-70.3	-51	175.7	-166.6	-177.7	-54.4	174.7	3.1	112.6	T143 Y145 R146 E147 V151 C152 E153	T143-R149 PolarHBondContact O-NE 2.79Å; T143-R149 PolarHBondContact O-NH2 3.19Å; T143-R149 VanDerWaalsContact O-NH2 3.16Å; Y145-R149 PolarHBondContact O-N 3.34Å; R146-R149 WeakPolarHBondContact O-CB 3.43Å; R146-R149 PolarHBondContact O-N 2.7Å; R146-R149 VanDerWaalsContact O-N 3.14Å; E147-R149 VanDerWaalsContact C-N 3.33Å; R149-V151 VanDerWaalsContact C-N 3.27Å; R149-V151 PolarHBondContact O-N 2.89Å; R149-C152 WeakPolarHBondContact O-CB 3.4Å; R149-C152 PolarHBondContact O-N 3.02Å; R149-E153 WeakPolarHBondContact CD-OE1 3.4Å; R149-E153 HydrophobicContact CG-CG 4.33Å; R149-E153 VanDerWaalsContact CG-OE1 3.25Å; R149-E153 WeakPolarHBondContact CG-OE1 3.47Å; R149-E153 WeakPolarHBondContact O-CG 3.4Å; R149-E153 PolarHBondContact O-N 3.38Å
150	E	84.3	Confident	87.8	Confident	85 Å²	85	57.4 Å²	57.4	40%	0.397	26%	0.256	S	S	.	.	H	α-helix	trans	-57.7	-39	179	-71.8	176.7	172.8	0	0	112.1	R146 S154	R146-E150 HydrophobicContact CG-CG 4.41Å; R146-E150 IonicContact CZ-OE1 3.2Å; R146-E150 IonicContact NE-OE1 2.73Å; R146-E150 PolarHBondContact NE-OE1 3.3Å; R146-E150 IonicContact NH2-OE1 2.77Å; R146-E150 PolarHBondContact NH2-OE1 3.17Å; R146-E150 WeakPolarHBondContact O-CG 3.41Å; R146-E150 PolarHBondContact O-N 2.99Å; E150-S154 WeakPolarHBondContact O-CB 3.49Å; E150-S154 PolarHBondContact O-N 2.95Å; E150-S154 PolarHBondContact O-OG 2.94Å
151	V	80.6	Confident	87.8	Confident	48 Å²	48	62.3 Å²	62.3	29%	0.291	28%	0.275	S	S	.	.	H	α-helix	trans	-67.4	-45.2	173.1	168.7	0	0	0	0	111.7	E147 R149 S154 E155	E147-V151 WeakPolarHBondContact O-CB 3.4Å; E147-V151 VanDerWaalsContact O-CG2 3.27Å; E147-V151 WeakPolarHBondContact O-CG2 3.25Å; E147-V151 PolarHBondContact O-N 3.14Å; R149-V151 VanDerWaalsContact C-N 3.27Å; R149-V151 PolarHBondContact O-N 2.89Å; V151-S154 PolarHBondContact O-N 3.46Å; V151-E155 WeakPolarHBondContact O-CB 3.42Å; V151-E155 PolarHBondContact O-N 3.41Å
152	C	87.8	Confident	87.9	Confident	4 Å²	4	62.3 Å²	62.3	3%	0.027	27%	0.274	C	S	.	.	H	α-helix	trans	-64.4	-42.2	-179.4	-175.1	0	0	0	0	112.8	I141 T143 G148 R149 L156 V180 M182	I141-C152 HydrophobicContact CD1-CB 4.18Å; I141-C152 HydrophobicContact CG2-CB 4.28Å; T143-C152 HydrophobicContact CG2-CB 3.93Å; G148-C152 WeakPolarHBondContact O-CB 3.41Å; G148-C152 PolarHBondContact O-N 3.44Å; R149-C152 WeakPolarHBondContact O-CB 3.4Å; R149-C152 PolarHBondContact O-N 3.02Å; C152-L156 WeakPolarHBondContact O-CB 3.49Å; C152-L156 WeakPolarHBondContact O-CG 3.23Å; C152-L156 PolarHBondContact O-N 3.15Å; C152-V180 VanDerWaalsContact SG-CB 3.56Å; C152-M182 HydrophobicContact CB-CE 4.36Å; C152-M182 WeakPolarHBondContact SG-CE 3.42Å
153	E	87.1	Confident	88.1	Confident	117 Å²	117	69.9 Å²	69.9	55%	0.547	30%	0.301	S	S	.	.	H	α-helix	trans	-63.9	-44.8	175.9	-72.4	172.2	-171.7	0	0	111.2	R149 C157	R149-E153 WeakPolarHBondContact CD-OE1 3.4Å; R149-E153 HydrophobicContact CG-CG 4.33Å; R149-E153 VanDerWaalsContact CG-OE1 3.25Å; R149-E153 WeakPolarHBondContact CG-OE1 3.47Å; R149-E153 WeakPolarHBondContact O-CG 3.4Å; R149-E153 PolarHBondContact O-N 3.38Å; E153-C157 WeakPolarHBondContact O-CB 3.45Å; E153-C157 PolarHBondContact O-N 3.5Å
154	S	83.5	Confident	88.5	Confident	47 Å²	47	71.4 Å²	71.4	33%	0.329	31%	0.308	S	S	.	.	H	α-helix	trans	-61.1	-46.2	177.3	-59	0	0	0	0	111.9	E150 V151 V158	E150-S154 WeakPolarHBondContact O-CB 3.49Å; E150-S154 PolarHBondContact O-N 2.95Å; E150-S154 PolarHBondContact O-OG 2.94Å; V151-S154 PolarHBondContact O-N 3.46Å; S154-V158 PolarHBondContact O-N 2.97Å
155	E	90.3	Very high	88.9	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.009	31%	0.31	C	S	.	.	H	α-helix	trans	-68	-46.1	-179.8	-177.7	160.6	-145.1	0	0	112.2	K139 V151 C157 V158 L159 M182 F252	K139-E155 WeakPolarHBondContact CE-OE2 3.47Å; K139-E155 IonicContact NZ-OE1 3.94Å; K139-E155 PolarHBondContact NZ-OE1 3.42Å; K139-E155 IonicContact NZ-OE2 3.56Å; K139-E155 PolarHBondContact NZ-OE2 3.38Å; V151-E155 WeakPolarHBondContact O-CB 3.42Å; V151-E155 PolarHBondContact O-N 3.41Å; E155-C157 VanDerWaalsContact C-N 3.33Å; E155-C157 PolarHBondContact O-N 3.16Å; E155-V158 PolarHBondContact O-N 3.18Å; E155-L159 HydrophobicContact CG-CD1 3.59Å; E155-L159 HydrophobicContact CG-CG 4.06Å; E155-L159 VanDerWaalsContact O-CB 3.3Å; E155-L159 WeakPolarHBondContact O-CB 3.28Å; E155-L159 WeakPolarHBondContact O-CG 3.35Å; E155-L159 PolarHBondContact O-N 3.37Å; E155-M182 HydrophobicContact CB-CE 4.4Å; E155-M182 HydrophobicContact CG-CE 4.31Å; E155-M182 HydrophobicContact CG-SD 4.02Å; E155-F252 HydrophobicContact CG-CB 4.3Å
156	L	91.8	Very high	89.5	Confident	9 Å²	9	65.3 Å²	65.3	5%	0.047	29%	0.294	C	S	.	.	H	α-helix	trans	-63.8	-36.3	175.9	-76.1	179.7	0	0	0	113	C152 V158 R160 L170 V173 V180 M182	C152-L156 WeakPolarHBondContact O-CB 3.49Å; C152-L156 WeakPolarHBondContact O-CG 3.23Å; C152-L156 PolarHBondContact O-N 3.15Å; L156-V158 VanDerWaalsContact C-N 3.25Å; L156-V158 PolarHBondContact O-N 2.91Å; L156-R160 VanDerWaalsContact O-CB 3.29Å; L156-R160 WeakPolarHBondContact O-CB 3.43Å; L156-R160 VanDerWaalsContact O-CG 3.27Å; L156-R160 WeakPolarHBondContact O-CG 3.21Å; L156-R160 PolarHBondContact O-N 3.23Å; L156-L170 HydrophobicContact CD2-CD2 4.1Å; L156-V173 HydrophobicContact CD1-CG1 4.5Å; L156-V173 HydrophobicContact CD2-CG1 4.33Å; L156-V173 HydrophobicContact CD2-CG2 3.72Å; L156-V180 HydrophobicContact CD1-CG1 4.23Å; L156-M182 HydrophobicContact CD1-CE 4.48Å; L156-M182 HydrophobicContact CD2-CE 3.96Å; L156-M182 HydrophobicContact CD2-CG 4Å; L156-M182 HydrophobicContact CD2-SD 3.84Å; L156-M182 HydrophobicContact CG-CE 3.76Å; L156-M182 HydrophobicContact CG-SD 4.27Å
157	C	89.9	Confident	90.1	Very high	64 Å²	64	56.8 Å²	56.8	43%	0.432	26%	0.262	S	S	.	.	H	α-helix	trans	-60.2	-37.2	177.9	-176.7	0	0	0	0	111.8	E153 E155 R161	E153-C157 WeakPolarHBondContact O-CB 3.45Å; E153-C157 PolarHBondContact O-N 3.5Å; E155-C157 VanDerWaalsContact C-N 3.33Å; E155-C157 PolarHBondContact O-N 3.16Å; C157-R161 WeakPolarHBondContact O-CD 3.25Å
158	V	91.2	Very high	90.9	Very high	2 Å²	2	53 Å²	53	1%	0.012	24%	0.244	C	C	.	.	H	α-helix	trans	-80.6	-52.9	174.2	172.9	0	0	0	0	111.5	S154 E155 L156 R160 R161 V162 L221 I226 F252 A255	S154-V158 PolarHBondContact O-N 2.97Å; E155-V158 PolarHBondContact O-N 3.18Å; L156-V158 VanDerWaalsContact C-N 3.25Å; L156-V158 PolarHBondContact O-N 2.91Å; V158-R160 PolarHBondContact O-N 2.88Å; V158-R160 VanDerWaalsContact O-N 3.17Å; V158-R161 PolarHBondContact O-N 3.25Å; V158-V162 HydrophobicContact CG1-CG1 3.84Å; V158-V162 HydrophobicContact CG1-CG2 4.43Å; V158-V162 PolarHBondContact O-N 2.79Å; V158-V162 VanDerWaalsContact O-N 3.16Å; V158-L221 HydrophobicContact CG1-CD2 4.45Å; V158-I226 HydrophobicContact CG1-CD1 4.13Å; V158-I226 HydrophobicContact CG1-CG2 4.06Å; V158-I226 HydrophobicContact CG2-CD1 4.34Å; V158-I226 HydrophobicContact CG2-CG2 3.75Å; V158-F252 HydrophobicContact CB-CB 4.27Å; V158-F252 HydrophobicContact CB-CD1 4.33Å; V158-F252 HydrophobicContact CB-CG 4.41Å; V158-F252 HydrophobicContact CG1-CB 4.2Å; V158-F252 HydrophobicContact CG1-CD1 3.45Å; V158-F252 VanDerWaalsContact CG1-CD1 3.45Å; V158-F252 HydrophobicContact CG1-CE1 3.89Å; V158-F252 HydrophobicContact CG1-CG 3.8Å; V158-A255 HydrophobicContact CG2-CB 3.85Å
159	L	94.1	Very high	91.7	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-25.6	-173.1	-74.9	-174.3	0	0	0	114.3	E155 R161 V162 I168 L170 M182 M184 F252	E155-L159 HydrophobicContact CG-CD1 3.59Å; E155-L159 HydrophobicContact CG-CG 4.06Å; E155-L159 VanDerWaalsContact O-CB 3.3Å; E155-L159 WeakPolarHBondContact O-CB 3.28Å; E155-L159 WeakPolarHBondContact O-CG 3.35Å; E155-L159 PolarHBondContact O-N 3.37Å; L159-R161 VanDerWaalsContact C-N 3.3Å; L159-V162 HydrophobicContact CD2-CG2 4.27Å; L159-I168 HydrophobicContact CD2-CG2 3.94Å; L159-L170 HydrophobicContact CB-CB 3.94Å; L159-L170 HydrophobicContact CB-CD2 3.86Å; L159-L170 HydrophobicContact CB-CG 4.42Å; L159-M182 HydrophobicContact CD1-SD 4.2Å; L159-M184 HydrophobicContact CD1-SD 4.03Å; L159-F252 HydrophobicContact CD2-CD2 3.62Å; L159-F252 HydrophobicContact CD2-CE2 4.04Å; L159-F252 HydrophobicContact CD2-CG 4.46Å; L159-F252 HydrophobicContact CG-CD2 4.33Å
160	R	94.1	Very high	92.3	Very high	153 Å²	153	50.3 Å²	50.3	58%	0.577	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-15.8	172.5	-72.6	173.4	170.3	158.2	-2.1	113.9	L156 V158 L170	L156-R160 VanDerWaalsContact O-CB 3.29Å; L156-R160 WeakPolarHBondContact O-CB 3.43Å; L156-R160 VanDerWaalsContact O-CG 3.27Å; L156-R160 WeakPolarHBondContact O-CG 3.21Å; L156-R160 PolarHBondContact O-N 3.23Å; V158-R160 PolarHBondContact O-N 2.88Å; V158-R160 VanDerWaalsContact O-N 3.17Å; R160-L170 HydrophobicContact CG-CD2 3.97Å
161	R	92.8	Very high	92.8	Very high	114 Å²	114	50.7 Å²	50.7	43%	0.43	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-17.4	-173.6	-75.5	172.8	55.1	-151.4	-5.4	114.5	C157 V158 L159 L224 S257	C157-R161 WeakPolarHBondContact O-CD 3.25Å; V158-R161 PolarHBondContact O-N 3.25Å; L159-R161 VanDerWaalsContact C-N 3.3Å; R161-L224 PolarHBondContact NH2-O 3.02Å; R161-S257 PolarHBondContact NH1-OG 3.05Å
162	V	94.6	Very high	93.6	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	24%	0.239	C	C	.	.			trans	-95.1	138.7	-179.1	-62	0	0	0	0	111.9	V158 L159 I167 Q169 Y220 L221 L224 I226	V158-V162 HydrophobicContact CG1-CG1 3.84Å; V158-V162 HydrophobicContact CG1-CG2 4.43Å; V158-V162 PolarHBondContact O-N 2.79Å; V158-V162 VanDerWaalsContact O-N 3.16Å; L159-V162 HydrophobicContact CD2-CG2 4.27Å; V162-I167 HydrophobicContact CB-CG2 4.2Å; V162-I167 HydrophobicContact CG2-CG2 3.75Å; V162-Q169 PolarHBondContact O-OE1 3.39Å; V162-Y220 HydrophobicContact CB-CE1 3.97Å; V162-Y220 HydrophobicContact CG1-CE1 4.07Å; V162-L221 HydrophobicContact CG1-CD2 3.77Å; V162-L224 HydrophobicContact CG1-CD1 4.12Å; V162-I226 HydrophobicContact CG1-CD1 4.02Å
163	R	95.6	Very high	94	Very high	200 Å²	200	52.8 Å²	52.8	76%	0.755	25%	0.249	S	C	*	.			trans	-147.2	100.7	169.3	-62	-173	-179.9	173.5	0.1	108.2	Y220	R163-Y220 PolarHBondContact N-OH 3.14Å; R163-Y220 PolarHBondContact O-OH 2.88Å
164	H	97.5	Very high	94.5	Very high	44 Å²	44	47.8 Å²	47.8	20%	0.204	23%	0.226	C	C	.	.			trans	-152.9	146.9	-179.4	-174.5	-88.8	0	0	0	109.8	N166 I167 D216 G217 Y220	H164-N166 WeakPolarHBondContact CE1-CB 3.31Å; H164-N166 PolarHBondContact CE1-OD1 2.91Å; H164-N166 PolarHBondContact ND1-N 3.17Å; H164-N166 PolarHBondContact O-N 3.33Å; H164-I167 HydrophobicContact CB-CB 4.22Å; H164-I167 HydrophobicContact CB-CD1 3.83Å; H164-I167 HydrophobicContact CB-CG1 4.04Å; H164-I167 PolarHBondContact O-N 2.94Å; H164-I167 VanDerWaalsContact O-N 3.14Å; H164-D216 VanDerWaalsContact CE1-C 3.46Å; H164-D216 IonicContact CE1-OD2 3.8Å; H164-D216 PolarHBondContact CE1-OD2 3.14Å; H164-D216 IonicContact NE2-OD1 2.78Å; H164-D216 IonicContact NE2-OD2 2.78Å; H164-D216 PolarHBondContact NE2-OD2 3.37Å; H164-G217 PolarHBondContact CE1-N 3.28Å; H164-Y220 HydrophobicContact CB-CD1 3.81Å; H164-Y220 HydrophobicContact CB-CD2 4.26Å; H164-Y220 HydrophobicContact CB-CE1 3.98Å; H164-Y220 HydrophobicContact CB-CE2 4.4Å; H164-Y220 HydrophobicContact CB-CG 3.96Å; H164-Y220 AromaticContact CD2-CD2 3.82Å; H164-Y220 AromaticContact CD2-CG 3.78Å
165	T	96.6	Very high	95	Very high	81 Å²	81	50.9 Å²	50.9	50%	0.497	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-29.7	-173.5	-166.1	0	0	0	0	113	K246	T165-K246 WeakPolarHBondContact O-CD 3.47Å; T165-K246 WeakPolarHBondContact O-CE 3.43Å; T165-K246 PolarHBondContact O-NZ 3.22Å; T165-K246 WeakPolarHBondContact OG1-CD 3.15Å
166	N	97.8	Very high	95	Very high	10 Å²	10	52.9 Å²	52.9	5%	0.053	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	19.5	179.6	-56.1	112.3	0	0	0	113.7	H164 M213 I247 I249	H164-N166 WeakPolarHBondContact CE1-CB 3.31Å; H164-N166 PolarHBondContact CE1-OD1 2.91Å; H164-N166 PolarHBondContact ND1-N 3.17Å; H164-N166 PolarHBondContact O-N 3.33Å; N166-M213 VanDerWaalsContact CB-O 3.26Å; N166-M213 WeakPolarHBondContact CB-O 3.31Å; N166-M213 VanDerWaalsContact CG-O 3.24Å; N166-M213 WeakPolarHBondContact ND2-CB 3.47Å; N166-M213 PolarHBondContact OD1-O 3.25Å; N166-I247 WeakPolarHBondContact CA-O 3.46Å; N166-I247 PolarHBondContact ND2-O 3.19Å; N166-I249 WeakPolarHBondContact O-CB 3.39Å; N166-I249 WeakPolarHBondContact O-CG1 3.46Å; N166-I249 PolarHBondContact O-N 3.14Å
167	I	97.4	Very high	94.9	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.01	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-128.9	139.7	176.9	-62.4	177.6	0	0	0	109.1	V162 H164 Q169 Y220 L221 F252	V162-I167 HydrophobicContact CB-CG2 4.2Å; V162-I167 HydrophobicContact CG2-CG2 3.75Å; H164-I167 HydrophobicContact CB-CB 4.22Å; H164-I167 HydrophobicContact CB-CD1 3.83Å; H164-I167 HydrophobicContact CB-CG1 4.04Å; H164-I167 PolarHBondContact O-N 2.94Å; H164-I167 VanDerWaalsContact O-N 3.14Å; I167-Q169 PolarHBondContact O-N 3.2Å; I167-Y220 HydrophobicContact CD1-CD1 3.53Å; I167-Y220 HydrophobicContact CD1-CE1 4.05Å; I167-L221 HydrophobicContact CD1-CD1 4.15Å; I167-L221 HydrophobicContact CD1-CD2 3.89Å; I167-L221 HydrophobicContact CD1-CG 3.69Å; I167-F252 HydrophobicContact CG2-CE2 3.73Å; I167-F252 HydrophobicContact CG2-CZ 3.61Å
168	I	96.6	Very high	94.9	Very high	9 Å²	9	58.2 Å²	58.2	5%	0.046	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-64	120.2	-178.1	-164.1	75.8	0	0	0	111.3	L159 M184 E185 I248 I249 T250 F252	L159-I168 HydrophobicContact CD2-CG2 3.94Å; I168-M184 HydrophobicContact CG1-CB 4.18Å; I168-E185 HydrophobicContact CD1-CB 3.72Å; I168-E185 HydrophobicContact CG1-CB 4.41Å; I168-I248 HydrophobicContact CB-CG2 3.73Å; I168-I248 HydrophobicContact CD1-CD1 4.47Å; I168-I248 HydrophobicContact CD1-CG2 3.87Å; I168-I248 HydrophobicContact CG1-CG2 4.44Å; I168-I249 PolarHBondContact N-O 2.84Å; I168-I249 VanDerWaalsContact N-O 3.12Å; I168-T250 HydrophobicContact CB-CG2 4.19Å; I168-T250 HydrophobicContact CG2-CG2 4.49Å; I168-F252 HydrophobicContact CG2-CD2 4.49Å; I168-F252 HydrophobicContact CG2-CE2 4.2Å
169	Q	96.6	Very high	95	Very high	43 Å²	43	61.2 Å²	61.2	20%	0.201	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-79.7	127.9	179.8	-170.6	57.5	67.6	0	0	111.3	V162 I167 M171 M184 E185	V162-Q169 PolarHBondContact O-OE1 3.39Å; I167-Q169 PolarHBondContact O-N 3.2Å; Q169-M171 HydrophobicContact CB-SD 4.24Å; Q169-M171 HydrophobicContact CG-SD 3.78Å; Q169-M184 CarbonylContact O-C 3.3Å; Q169-M184 VanDerWaalsContact O-CA 3.25Å; Q169-M184 WeakPolarHBondContact O-CA 3.4Å; Q169-E185 HydrophobicContact CB-CG 3.97Å; Q169-E185 WeakPolarHBondContact CB-OE2 3.33Å; Q169-E185 PolarHBondContact N-OE2 3.29Å; Q169-E185 PolarHBondContact O-N 2.83Å
170	L	97.3	Very high	95	Very high	21 Å²	21	61.2 Å²	61.2	11%	0.11	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	132.1	165	179	72.6	0	0	0	109.7	L156 L159 R160 V173 M182 M184	L156-L170 HydrophobicContact CD2-CD2 4.1Å; L159-L170 HydrophobicContact CB-CB 3.94Å; L159-L170 HydrophobicContact CB-CD2 3.86Å; L159-L170 HydrophobicContact CB-CG 4.42Å; R160-L170 HydrophobicContact CG-CD2 3.97Å; L170-V173 HydrophobicContact CD1-CG2 3.98Å; L170-V173 HydrophobicContact CD2-CG2 3.86Å; L170-V173 HydrophobicContact CG-CG2 4.27Å; L170-M182 HydrophobicContact CD1-CB 3.78Å; L170-M182 HydrophobicContact CD1-CG 4.41Å; L170-M184 HydrophobicContact CD1-CG 4.13Å
171	M	96.5	Very high	95.1	Very high	93 Å²	93	54.1 Å²	54.1	46%	0.458	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-48.2	-172.8	-53.4	-58.3	-59.6	0	0	112.6	Y136 Q169 V183	Y136-M171 HydrophobicContact CD1-CG 4.07Å; Y136-M171 HydrophobicContact CE1-CE 4.2Å; Y136-M171 HydrophobicContact CE1-CG 3.8Å; Y136-M171 HydrophobicContact CE1-SD 4.47Å; Q169-M171 HydrophobicContact CB-SD 4.24Å; Q169-M171 HydrophobicContact CG-SD 3.78Å; M171-V183 HydrophobicContact CB-CB 4.46Å; M171-V183 HydrophobicContact CB-CG1 4.37Å; M171-V183 WeakPolarHBondContact CB-O 3.46Å; M171-V183 PolarHBondContact N-O 3.22Å
172	E	96.2	Very high	95.3	Very high	56 Å²	56	48.7 Å²	48.7	26%	0.262	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	154.8	180	-177.3	164.2	-145.8	0	0	110	K109 F174 V183	K109-E172 IonicContact NZ-OE1 3.28Å; K109-E172 PolarHBondContact NZ-OE1 2.91Å; K109-E172 IonicContact NZ-OE2 2.65Å; K109-E172 PolarHBondContact NZ-OE2 2.87Å; E172-F174 HydrophobicContact CB-CE2 4.39Å; E172-F174 HydrophobicContact CG-CD2 4.22Å; E172-F174 HydrophobicContact CG-CE2 3.66Å; E172-F174 HydrophobicContact CG-CZ 4.02Å; E172-F174 WeakPolarHBondContact OE2-CE2 3.43Å; E172-F174 WeakPolarHBondContact OE2-CZ 3.11Å; E172-V183 HydrophobicContact CB-CB 4.16Å; E172-V183 HydrophobicContact CB-CG2 4.07Å; E172-V183 PolarHBondContact N-O 2.91Å; E172-V183 PolarHBondContact O-N 2.82Å
173	V	97.1	Very high	95.5	Very high	39 Å²	39	48.7 Å²	48.7	24%	0.236	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131	174.7	-177.6	0	0	0	0	109.6	L156 L170 V180 Y181	L156-V173 HydrophobicContact CD1-CG1 4.5Å; L156-V173 HydrophobicContact CD2-CG1 4.33Å; L156-V173 HydrophobicContact CD2-CG2 3.72Å; L170-V173 HydrophobicContact CD1-CG2 3.98Å; L170-V173 HydrophobicContact CD2-CG2 3.86Å; L170-V173 HydrophobicContact CG-CG2 4.27Å; V173-V180 HydrophobicContact CG1-CG1 3.84Å; V173-Y181 WeakPolarHBondContact CA-O 3.22Å
174	F	96.3	Very high	95.6	Very high	13 Å²	13	40 Å²	40	6%	0.057	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	137.7	167.3	-55.9	-103.7	0	0	0	109.2	R105 V106 K109 Y110 E172 V180 Y181 V183	R105-F174 HydrophobicContact CB-CD1 3.78Å; R105-F174 HydrophobicContact CB-CE1 3.86Å; V106-F174 HydrophobicContact CG2-CB 3.7Å; V106-F174 HydrophobicContact CG2-CD1 3.89Å; V106-F174 HydrophobicContact CG2-CD2 3.61Å; V106-F174 HydrophobicContact CG2-CE1 4.4Å; V106-F174 HydrophobicContact CG2-CE2 4.16Å; V106-F174 HydrophobicContact CG2-CG 3.46Å; V106-F174 VanDerWaalsContact CG2-CG 3.46Å; K109-F174 HydrophobicContact CD-CZ 4.15Å; Y110-F174 HydrophobicContact CD2-CE2 4.43Å; Y110-F174 AromaticContact CE2-CE2 3.92Å; Y110-F174 HydrophobicContact CE2-CE2 3.92Å; Y110-F174 HydrophobicContact CE2-CZ 4.05Å; E172-F174 HydrophobicContact CB-CE2 4.39Å; E172-F174 HydrophobicContact CG-CD2 4.22Å; E172-F174 HydrophobicContact CG-CE2 3.66Å; E172-F174 HydrophobicContact CG-CZ 4.02Å; E172-F174 WeakPolarHBondContact OE2-CE2 3.43Å; E172-F174 WeakPolarHBondContact OE2-CZ 3.11Å; F174-V180 CarbonylContact O-C 3.59Å; F174-V180 WeakPolarHBondContact O-CA 3.38Å; F174-Y181 HydrophobicContact CB-CD2 4.2Å; F174-Y181 PolarHBondContact N-O 3.46Å; F174-Y181 PolarHBondContact O-N 2.77Å; F174-V183 HydrophobicContact CD2-CG2 4.18Å; F174-V183 HydrophobicContact CE2-CG2 3.81Å
175	E	94.3	Very high	95.5	Very high	111 Å²	111	39.6 Å²	39.6	52%	0.519	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	141.1	-173.6	-176.8	157	-163.1	0	0	111.4	R105 V180	R105-E175 PolarHBondContact NH2-O 2.73Å; E175-V180 HydrophobicContact CB-CG2 4.38Å; E175-V180 HydrophobicContact CG-CG2 3.93Å
176	T	91.7	Very high	95.5	Very high	44 Å²	44	36.3 Å²	36.3	27%	0.27	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	167.1	173.1	80.3	0	0	0	0	109.4	D103 E178 R179 Y181	D103-T176 WeakPolarHBondContact OD2-CG2 3.47Å; T176-E178 PolarHBondContact O-N 3.47Å; T176-E178 PolarHBondContact OG1-N 2.97Å; T176-R179 PolarHBondContact N-O 2.71Å; T176-R179 PolarHBondContact O-N 3.05Å; T176-R179 PolarHBondContact OG1-N 2.99Å; T176-R179 VanDerWaalsContact OG1-N 3.16Å; T176-R179 PolarHBondContact OG1-O 2.67Å; T176-Y181 HydrophobicContact CG2-CE2 4.3Å
177	A	89.6	Confident	95.3	Very high	102 Å²	102	37 Å²	37	84%	0.843	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-19.8	179.2	0	0	0	0	0	115.5
178	E	90.2	Very high	95.2	Very high	83 Å²	83	40.2 Å²	40.2	39%	0.388	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120	-14.5	178.7	-66.9	-165.1	160.5	0	0	115.2	E142 T143 R144 T176	E142-E178 CarbonylContact C-O 3.48Å; E142-E178 WeakPolarHBondContact CA-O 3.48Å; T143-E178 PolarHBondContact N-O 3.43Å; T143-E178 PolarHBondContact OG1-O 3.07Å; R144-E178 HydrophobicContact CB-CB 4.2Å; R144-E178 HydrophobicContact CB-CG 4.2Å; R144-E178 PolarHBondContact N-O 3.2Å; T176-E178 PolarHBondContact O-N 3.47Å; T176-E178 PolarHBondContact OG1-N 2.97Å
179	R	92.5	Very high	94.9	Very high	66 Å²	66	40.3 Å²	40.3	25%	0.249	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	142.7	-168.2	-59.4	-179.3	-160	128.3	31	112.9	K101 M140 I141 T143 T176 Y181	K101-R179 PolarHBondContact O-NH1 3.46Å; M140-R179 HydrophobicContact SD-CB 4.43Å; M140-R179 HydrophobicContact SD-CG 4.18Å; I141-R179 VanDerWaalsContact O-CA 3.26Å; I141-R179 WeakPolarHBondContact O-CA 3.38Å; T143-R179 PolarHBondContact OG1-N 2.96Å; T176-R179 PolarHBondContact N-O 2.71Å; T176-R179 PolarHBondContact O-N 3.05Å; T176-R179 PolarHBondContact OG1-N 2.99Å; T176-R179 VanDerWaalsContact OG1-N 3.16Å; T176-R179 PolarHBondContact OG1-O 2.67Å; R179-Y181 HydrophobicContact CB-CE2 3.96Å
180	V	95	Very high	94.7	Very high	1 Å²	1	40 Å²	40	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	140.6	166.5	172.5	0	0	0	0	109	M140 I141 T143 C152 L156 V173 F174 E175 M182	M140-V180 CarbonylContact C-O 3.53Å; M140-V180 VanDerWaalsContact CA-O 3.3Å; M140-V180 WeakPolarHBondContact CA-O 3.4Å; I141-V180 PolarHBondContact N-O 2.65Å; I141-V180 PolarHBondContact O-N 2.67Å; T143-V180 HydrophobicContact CG2-CB 4.35Å; T143-V180 HydrophobicContact CG2-CG2 3.88Å; C152-V180 VanDerWaalsContact SG-CB 3.56Å; L156-V180 HydrophobicContact CD1-CG1 4.23Å; V173-V180 HydrophobicContact CG1-CG1 3.84Å; F174-V180 CarbonylContact O-C 3.59Å; F174-V180 WeakPolarHBondContact O-CA 3.38Å; E175-V180 HydrophobicContact CB-CG2 4.38Å; E175-V180 HydrophobicContact CG-CG2 3.93Å; V180-M182 HydrophobicContact CG1-CE 4.16Å; V180-M182 HydrophobicContact CG1-CG 4.04Å
181	Y	96.2	Very high	94.4	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	107.7	175.7	-53	-101.7	0	0	0	108.4	F102 D103 V106 I138 M140 V173 F174 T176 R179	F102-Y181 HydrophobicContact CB-CE1 4.49Å; F102-Y181 AromaticContact CD1-CD1 3.84Å; F102-Y181 HydrophobicContact CD1-CD1 3.84Å; F102-Y181 AromaticContact CD1-CE1 3.56Å; F102-Y181 HydrophobicContact CD1-CE1 3.56Å; F102-Y181 AromaticContact CE1-CD1 3.84Å; F102-Y181 HydrophobicContact CE1-CD1 3.84Å; F102-Y181 AromaticContact CE1-CE1 3.83Å; F102-Y181 HydrophobicContact CE1-CE1 3.83Å; F102-Y181 HydrophobicContact CG-CE1 4.05Å; F102-Y181 HydrophobicContact CZ-CE1 4.49Å; D103-Y181 HydrophobicContact CB-CE2 3.82Å; D103-Y181 PolarHBondContact N-OH 2.88Å; V106-Y181 HydrophobicContact CG2-CD1 4.3Å; V106-Y181 HydrophobicContact CG2-CD2 4.16Å; V106-Y181 HydrophobicContact CG2-CG 3.97Å; I138-Y181 HydrophobicContact CG2-CD1 4.22Å; M140-Y181 HydrophobicContact CB-CD1 3.82Å; M140-Y181 HydrophobicContact CB-CE1 4.14Å; M140-Y181 HydrophobicContact CG-CD1 3.56Å; M140-Y181 HydrophobicContact CG-CE1 3.44Å; M140-Y181 VanDerWaalsContact CG-CE1 3.44Å; M140-Y181 HydrophobicContact CG-CG 4.34Å; V173-Y181 WeakPolarHBondContact CA-O 3.22Å; F174-Y181 HydrophobicContact CB-CD2 4.2Å; F174-Y181 PolarHBondContact N-O 3.46Å; F174-Y181 PolarHBondContact O-N 2.77Å; T176-Y181 HydrophobicContact CG2-CE2 4.3Å; R179-Y181 HydrophobicContact CB-CE2 3.96Å
182	M	96.6	Very high	94.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	114	176.7	-54.2	-177.5	-159.5	0	0	109.1	I138 K139 I141 C152 E155 L156 L159 L170 V180 M184	I138-M182 CarbonylContact C-O 3.52Å; I138-M182 VanDerWaalsContact CA-O 3.28Å; I138-M182 WeakPolarHBondContact CA-O 3.27Å; K139-M182 HydrophobicContact CB-CB 4.38Å; K139-M182 PolarHBondContact N-O 3.27Å; K139-M182 PolarHBondContact O-N 2.89Å; I141-M182 HydrophobicContact CD1-CE 3.62Å; I141-M182 HydrophobicContact CG1-CE 4.36Å; C152-M182 HydrophobicContact CB-CE 4.36Å; C152-M182 WeakPolarHBondContact SG-CE 3.42Å; E155-M182 HydrophobicContact CB-CE 4.4Å; E155-M182 HydrophobicContact CG-CE 4.31Å; E155-M182 HydrophobicContact CG-SD 4.02Å; L156-M182 HydrophobicContact CD1-CE 4.48Å; L156-M182 HydrophobicContact CD2-CE 3.96Å; L156-M182 HydrophobicContact CD2-CG 4Å; L156-M182 HydrophobicContact CD2-SD 3.84Å; L156-M182 HydrophobicContact CG-CE 3.76Å; L156-M182 HydrophobicContact CG-SD 4.27Å; L159-M182 HydrophobicContact CD1-SD 4.2Å; L170-M182 HydrophobicContact CD1-CB 3.78Å; L170-M182 HydrophobicContact CD1-CG 4.41Å; V180-M182 HydrophobicContact CG1-CE 4.16Å; V180-M182 HydrophobicContact CG1-CG 4.04Å; M182-M184 HydrophobicContact CB-CG 4.31Å; M182-M184 HydrophobicContact CB-SD 4.46Å
183	V	97.6	Very high	93.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	123.5	170.6	-168.8	0	0	0	0	108.3	Y110 Y136 I138 M171 E172 F174	Y110-V183 HydrophobicContact CE1-CG1 4.01Å; Y110-V183 HydrophobicContact CE2-CG1 4.5Å; Y110-V183 HydrophobicContact CE2-CG2 3.93Å; Y136-V183 HydrophobicContact CD1-CG1 4.31Å; Y136-V183 HydrophobicContact CG-CG1 4.04Å; I138-V183 HydrophobicContact CD1-CG2 4.06Å; I138-V183 HydrophobicContact CG1-CG1 4.4Å; I138-V183 HydrophobicContact CG1-CG2 4.09Å; M171-V183 HydrophobicContact CB-CB 4.46Å; M171-V183 HydrophobicContact CB-CG1 4.37Å; M171-V183 WeakPolarHBondContact CB-O 3.46Å; M171-V183 PolarHBondContact N-O 3.22Å; E172-V183 HydrophobicContact CB-CB 4.16Å; E172-V183 HydrophobicContact CB-CG2 4.07Å; E172-V183 PolarHBondContact N-O 2.91Å; E172-V183 PolarHBondContact O-N 2.82Å; F174-V183 HydrophobicContact CD2-CG2 4.18Å; F174-V183 HydrophobicContact CE2-CG2 3.81Å
184	M	97.6	Very high	93.3	Very high	17 Å²	17	39.3 Å²	39.3	8%	0.084	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	164.9	-175	-54.5	179	-54.7	0	0	110.3	Y136 A137 K139 L159 I168 Q169 L170 M182	Y136-M184 WeakPolarHBondContact CB-O 3.27Å; Y136-M184 WeakPolarHBondContact CD1-O 3.48Å; A137-M184 PolarHBondContact N-O 3.13Å; A137-M184 PolarHBondContact O-N 3.05Å; K139-M184 HydrophobicContact CB-CE 3.69Å; K139-M184 HydrophobicContact CD-CE 4.39Å; L159-M184 HydrophobicContact CD1-SD 4.03Å; I168-M184 HydrophobicContact CG1-CB 4.18Å; Q169-M184 CarbonylContact O-C 3.3Å; Q169-M184 VanDerWaalsContact O-CA 3.25Å; Q169-M184 WeakPolarHBondContact O-CA 3.4Å; L170-M184 HydrophobicContact CD1-CG 4.13Å; M182-M184 HydrophobicContact CB-CG 4.31Å; M182-M184 HydrophobicContact CB-SD 4.46Å
185	E	96.4	Very high	92.8	Very high	36 Å²	36	40 Å²	40	17%	0.168	23%	0.228	C	C	.	.			trans	-46	152.8	163	-81.4	176.3	129.8	0	0	112.2	I168 Q169 K246	I168-E185 HydrophobicContact CD1-CB 3.72Å; I168-E185 HydrophobicContact CG1-CB 4.41Å; Q169-E185 HydrophobicContact CB-CG 3.97Å; Q169-E185 WeakPolarHBondContact CB-OE2 3.33Å; Q169-E185 PolarHBondContact N-OE2 3.29Å; Q169-E185 PolarHBondContact O-N 2.83Å; E185-K246 IonicContact OE1-NZ 2.7Å
186	L	96	Very high	92.4	Very high	13 Å²	13	34.7 Å²	34.7	7%	0.068	20%	0.203	C	C	.	.			trans	-106.7	104.6	175.2	-176.1	71	0	0	0	110.6	I116 R126 P135 A137 T188	I116-L186 HydrophobicContact CD1-CD1 3.64Å; R126-L186 HydrophobicContact CB-CD1 4.39Å; R126-L186 HydrophobicContact CG-CD1 4.29Å; R126-L186 HydrophobicContact CG-CD2 3.82Å; P135-L186 HydrophobicContact CB-CD2 3.87Å; A137-L186 HydrophobicContact CB-CD1 3.92Å; L186-T188 HydrophobicContact CD2-CG2 3.61Å; L186-T188 HydrophobicContact CG-CG2 3.64Å
187	A	94.6	Very high	92.1	Very high	23 Å²	23	35 Å²	35	19%	0.19	20%	0.203	C	C	.	.			trans	-70.9	133.4	162.3	0	0	0	0	0	110.1	L237	A187-L237 HydrophobicContact CB-CB 3.76Å; A187-L237 HydrophobicContact CB-CD1 3.91Å
188	T	93.8	Very high	91.8	Very high	71 Å²	71	34.3 Å²	34.3	44%	0.436	20%	0.197	S	C	.	.			trans	-132.7	-5.2	-175.6	60.1	0	0	0	0	114	L186 G190 Y238 Y239 H240	L186-T188 HydrophobicContact CD2-CG2 3.61Å; L186-T188 HydrophobicContact CG-CG2 3.64Å; T188-G190 VanDerWaalsContact C-N 3.32Å; T188-G190 PolarHBondContact O-N 3.11Å; T188-Y238 PolarHBondContact N-O 3.44Å; T188-Y239 PolarHBondContact N-O 2.9Å; T188-Y239 PolarHBondContact OG1-O 2.81Å; T188-H240 WeakPolarHBondContact OG1-CA 3.48Å
189	G	91.2	Very high	91.2	Very high	10 Å²	10	33.8 Å²	33.8	10%	0.103	19%	0.191	C	C	.	.	S	Bend	trans	-83	-0.1	-179.6	0	0	0	0	0	115.6	Y238 H240	G189-Y238 VanDerWaalsContact CA-O 3.3Å; G189-Y238 WeakPolarHBondContact CA-O 3.39Å; G189-Y238 PolarHBondContact N-O 3.43Å; G189-H240 WeakPolarHBondContact CA-O 3.11Å
190	G	91.3	Very high	90.4	Very high	36 Å²	36	33.9 Å²	33.9	37%	0.371	21%	0.212	S	C	.	.			trans	84.2	179.7	-179	0	0	0	0	0	114.4	T188 L237 Y238	T188-G190 VanDerWaalsContact C-N 3.32Å; T188-G190 PolarHBondContact O-N 3.11Å; G190-L237 WeakPolarHBondContact O-CA 3.4Å; G190-Y238 PolarHBondContact O-N 3.33Å
191	E	91.9	Very high	89.8	Confident	77 Å²	77	36.7 Å²	36.7	36%	0.36	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-71	153.8	174.3	-65.4	-176.3	-151.4	0	0	111.3	F193 D194 R195 E234 L237	E191-F193 PolarHBondContact O-N 2.91Å; E191-D194 PolarHBondContact O-N 3.15Å; E191-R195 PolarHBondContact O-N 3.39Å; E191-E234 WeakPolarHBondContact OE2-CA 3.37Å; E191-L237 HydrophobicContact CB-CD2 4.38Å; E191-L237 HydrophobicContact CG-CD2 3.74Å
192	L	90.4	Very high	89.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-52.2	-48.7	-175.9	173	55.7	0	0	0	113.4	I196 V210 L236 Y238 I247 I298 L302	L192-I196 HydrophobicContact CD1-CD1 3.89Å; L192-I196 HydrophobicContact CG-CD1 4.32Å; L192-I196 WeakPolarHBondContact O-CG1 3.19Å; L192-I196 PolarHBondContact O-N 2.84Å; L192-V210 HydrophobicContact CD1-CG1 3.72Å; L192-V210 HydrophobicContact CD1-CG2 4.06Å; L192-V210 HydrophobicContact CD2-CG1 4Å; L192-L236 HydrophobicContact CB-CB 4.21Å; L192-L236 HydrophobicContact CD2-CB 4.28Å; L192-L236 HydrophobicContact CD2-CD1 3.85Å; L192-L236 PolarHBondContact N-O 3.28Å; L192-L236 VanDerWaalsContact N-O 3.07Å; L192-Y238 HydrophobicContact CD1-CE2 3.78Å; L192-I247 HydrophobicContact CD1-CD1 4.04Å; L192-I298 HydrophobicContact CD2-CG2 4.29Å; L192-L302 HydrophobicContact CD1-CD2 4.16Å; L192-L302 HydrophobicContact CD2-CD1 4.49Å; L192-L302 HydrophobicContact CD2-CD2 4.16Å; L192-L302 HydrophobicContact CG-CD2 4.27Å
193	F	87.8	Confident	89.1	Confident	21 Å²	21	37.6 Å²	37.6	9%	0.092	24%	0.238	C	C	.	.	H	α-helix	trans	-80.1	-33.9	-175.7	-72.5	-42.5	0	0	0	114.3	E191 R195 I196 I197 P233 I301 L302 L387	E191-F193 PolarHBondContact O-N 2.91Å; F193-R195 PolarHBondContact O-N 2.95Å; F193-I196 HydrophobicContact CD1-CD1 3.89Å; F193-I196 HydrophobicContact CE1-CD1 4.21Å; F193-I196 PolarHBondContact O-N 3.13Å; F193-I197 WeakPolarHBondContact O-CG1 3.19Å; F193-I197 PolarHBondContact O-N 3.25Å; F193-P233 HydrophobicContact CD2-CB 3.51Å; F193-P233 HydrophobicContact CD2-CG 3.65Å; F193-P233 HydrophobicContact CE2-CB 3.61Å; F193-P233 HydrophobicContact CE2-CG 3.23Å; F193-P233 HydrophobicContact CG-CB 4.5Å; F193-P233 HydrophobicContact CZ-CG 4.22Å; F193-I301 HydrophobicContact CD2-CG2 4.33Å; F193-I301 HydrophobicContact CE1-CB 4.43Å; F193-I301 HydrophobicContact CE1-CG2 3.93Å; F193-I301 HydrophobicContact CE2-CB 4.03Å; F193-I301 HydrophobicContact CE2-CD1 4.32Å; F193-I301 HydrophobicContact CE2-CG2 3.46Å; F193-I301 VanDerWaalsContact CE2-CG2 3.46Å; F193-I301 HydrophobicContact CZ-CB 3.6Å; F193-I301 HydrophobicContact CZ-CG2 3.29Å; F193-L302 HydrophobicContact CE1-CD2 3.74Å; F193-L302 HydrophobicContact CE1-CG 3.95Å; F193-L302 HydrophobicContact CZ-CD2 4.49Å; F193-L302 HydrophobicContact CZ-CG 4.28Å; F193-L387 HydrophobicContact CB-CD1 4.11Å; F193-L387 HydrophobicContact CD1-CD1 4.07Å; F193-L387 HydrophobicContact CD2-CD2 4.32Å; F193-L387 HydrophobicContact CG-CD1 4.19Å; F193-L387 HydrophobicContact CG-CD2 4.25Å
194	D	87.7	Confident	88.8	Confident	98 Å²	98	37.6 Å²	37.6	52%	0.524	24%	0.238	S	C	.	.	H	α-helix	trans	-57	-42.4	172.9	-76.1	-7	0	0	0	110.9	E191 I196 I197 A198	E191-D194 PolarHBondContact O-N 3.15Å; D194-I196 VanDerWaalsContact C-N 3.31Å; D194-I196 PolarHBondContact O-N 3.2Å; D194-I197 PolarHBondContact O-N 3.41Å; D194-A198 WeakPolarHBondContact O-CB 3.32Å; D194-A198 PolarHBondContact O-N 2.87Å
195	R	86.6	Confident	88.4	Confident	27 Å²	27	41.8 Å²	41.8	10%	0.102	25%	0.253	C	S	.	.	H	α-helix	trans	-69.1	-27.7	177.7	-159.2	-179.6	-176.9	-139.5	-4.4	113.2	E191 F193 R199 Y238 P241 G242	E191-R195 PolarHBondContact O-N 3.39Å; F193-R195 PolarHBondContact O-N 2.95Å; R195-R199 WeakPolarHBondContact O-CG 3.49Å; R195-R199 PolarHBondContact O-N 3.32Å; R195-Y238 HydrophobicContact CB-CD2 3.86Å; R195-Y238 HydrophobicContact CB-CE2 3.78Å; R195-Y238 VanDerWaalsContact CD-CE2 3.43Å; R195-Y238 HydrophobicContact CG-CD2 4.15Å; R195-Y238 HydrophobicContact CG-CE2 4.14Å; R195-P241 PolarHBondContact NH2-O 2.93Å; R195-G242 VanDerWaalsContact NH2-C 3.25Å; R195-G242 PolarHBondContact NH2-O 3.35Å
196	I	85.9	Confident	88.2	Confident	0 Å²	0	41 Å²	41	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-73.8	-41	175.1	-70	168.9	0	0	0	110.7	L192 F193 D194 A198 R199 F202 L302 I383	L192-I196 HydrophobicContact CD1-CD1 3.89Å; L192-I196 HydrophobicContact CG-CD1 4.32Å; L192-I196 WeakPolarHBondContact O-CG1 3.19Å; L192-I196 PolarHBondContact O-N 2.84Å; F193-I196 HydrophobicContact CD1-CD1 3.89Å; F193-I196 HydrophobicContact CE1-CD1 4.21Å; F193-I196 PolarHBondContact O-N 3.13Å; D194-I196 VanDerWaalsContact C-N 3.31Å; D194-I196 PolarHBondContact O-N 3.2Å; I196-A198 VanDerWaalsContact C-N 3.31Å; I196-A198 PolarHBondContact O-N 3.05Å; I196-R199 PolarHBondContact O-N 3.46Å; I196-F202 HydrophobicContact CB-CD2 4.46Å; I196-F202 HydrophobicContact CD1-CD2 4.18Å; I196-F202 HydrophobicContact CD1-CE1 4.26Å; I196-F202 HydrophobicContact CD1-CE2 3.57Å; I196-F202 HydrophobicContact CD1-CZ 3.62Å; I196-F202 HydrophobicContact CG1-CD2 3.75Å; I196-F202 HydrophobicContact CG1-CE2 3.58Å; I196-F202 HydrophobicContact CG1-CG 4.44Å; I196-F202 HydrophobicContact CG1-CZ 4.13Å; I196-F202 HydrophobicContact CG2-CB 4.29Å; I196-F202 HydrophobicContact CG2-CD1 4.28Å; I196-F202 HydrophobicContact CG2-CD2 4.1Å; I196-F202 HydrophobicContact CG2-CG 3.96Å; I196-L302 HydrophobicContact CD1-CD2 3.43Å; I196-L302 VanDerWaalsContact CD1-CD2 3.43Å; I196-I383 HydrophobicContact CG2-CG2 3.93Å
197	I	85.4	Confident	88	Confident	50 Å²	50	40.4 Å²	40.4	26%	0.256	25%	0.247	S	C	.	.	H	α-helix	trans	-62.4	-40	173.3	-64	164.1	0	0	0	110.7	F193 D194 Q380 L387 L388	F193-I197 WeakPolarHBondContact O-CG1 3.19Å; F193-I197 PolarHBondContact O-N 3.25Å; D194-I197 PolarHBondContact O-N 3.41Å; I197-Q380 PolarHBondContact O-NE2 3.23Å; I197-L387 HydrophobicContact CD1-CB 3.94Å; I197-L387 HydrophobicContact CD1-CD1 4.09Å; I197-L387 HydrophobicContact CG1-CB 4.3Å; I197-L387 HydrophobicContact CG1-CD1 3.88Å; I197-L388 HydrophobicContact CG2-CD1 4.34Å; I197-L388 HydrophobicContact CG2-CD2 4.38Å; I197-L388 HydrophobicContact CG2-CG 4.42Å
198	A	83.8	Confident	88	Confident	87 Å²	87	39.3 Å²	39.3	72%	0.719	24%	0.238	S	C	*	.	H	α-helix	trans	-76.5	-16.8	-178.2	0	0	0	0	0	115.4	D194 I196	D194-A198 WeakPolarHBondContact O-CB 3.32Å; D194-A198 PolarHBondContact O-N 2.87Å; I196-A198 VanDerWaalsContact C-N 3.31Å; I196-A198 PolarHBondContact O-N 3.05Å
199	R	77.9	Confident	87.9	Confident	73 Å²	73	40.5 Å²	40.5	28%	0.275	23%	0.234	S	C	.	.	S	Bend	trans	-82.6	144.8	174.4	-77.8	175.8	113.2	-149.8	7.1	110.4	R195 I196 S201 D206 Q380	R195-R199 WeakPolarHBondContact O-CG 3.49Å; R195-R199 PolarHBondContact O-N 3.32Å; I196-R199 PolarHBondContact O-N 3.46Å; R199-S201 VanDerWaalsContact C-N 3.28Å; R199-S201 PolarHBondContact O-N 2.83Å; R199-D206 IonicContact CZ-OD1 3.75Å; R199-D206 IonicContact NH1-OD1 2.8Å; R199-D206 PolarHBondContact NH1-OD1 2.91Å; R199-D206 IonicContact NH2-OD1 3.74Å; R199-Q380 VanDerWaalsContact O-CD 3.24Å; R199-Q380 VanDerWaalsContact O-CG 3.23Å; R199-Q380 WeakPolarHBondContact O-CG 3.39Å; R199-Q380 PolarHBondContact O-NE2 3.23Å
200	G	75	Confident	88.1	Confident	67 Å²	67	40.3 Å²	40.3	69%	0.691	23%	0.231	S	C	*	.	S	Bend	trans	-73.6	-16.1	171.8	0	0	0	0	0	114.4	N378	G200-N378 PolarHBondContact O-ND2 2.71Å
201	S	82.8	Confident	88.3	Confident	61 Å²	61	38.6 Å²	38.6	43%	0.427	21%	0.214	S	C	.	.			trans	-144.6	148.5	176.2	60.6	0	0	0	0	113.9	R199 N378	R199-S201 VanDerWaalsContact C-N 3.28Å; R199-S201 PolarHBondContact O-N 2.83Å; S201-N378 VanDerWaalsContact CA-OD1 3.25Å; S201-N378 WeakPolarHBondContact CA-OD1 3.3Å
202	F	86.7	Confident	88.5	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.206	C	C	.	.			trans	-155.8	131.4	176.8	-167.2	-96.6	0	0	0	109.2	I196 D206 A207 L302 N378 L379 Q380 I383	I196-F202 HydrophobicContact CB-CD2 4.46Å; I196-F202 HydrophobicContact CD1-CD2 4.18Å; I196-F202 HydrophobicContact CD1-CE1 4.26Å; I196-F202 HydrophobicContact CD1-CE2 3.57Å; I196-F202 HydrophobicContact CD1-CZ 3.62Å; I196-F202 HydrophobicContact CG1-CD2 3.75Å; I196-F202 HydrophobicContact CG1-CE2 3.58Å; I196-F202 HydrophobicContact CG1-CG 4.44Å; I196-F202 HydrophobicContact CG1-CZ 4.13Å; I196-F202 HydrophobicContact CG2-CB 4.29Å; I196-F202 HydrophobicContact CG2-CD1 4.28Å; I196-F202 HydrophobicContact CG2-CD2 4.1Å; I196-F202 HydrophobicContact CG2-CG 3.96Å; F202-D206 HydrophobicContact CD2-CB 3.53Å; F202-D206 HydrophobicContact CE2-CB 3.37Å; F202-D206 HydrophobicContact CG-CB 4.17Å; F202-D206 HydrophobicContact CZ-CB 3.91Å; F202-A207 HydrophobicContact CE1-CB 3.95Å; F202-A207 HydrophobicContact CZ-CB 4.04Å; F202-L302 HydrophobicContact CE1-CD2 4.44Å; F202-L302 WeakPolarHBondContact CE1-O 3.47Å; F202-L302 HydrophobicContact CZ-CD2 3.92Å; F202-N378 PolarHBondContact N-OD1 3.25Å; F202-N378 PolarHBondContact O-OD1 2.96Å; F202-L379 PolarHBondContact O-N 3.33Å; F202-Q380 HydrophobicContact CB-CB 3.94Å; F202-Q380 HydrophobicContact CB-CG 4.39Å; F202-I383 HydrophobicContact CD1-CD1 3.75Å; F202-I383 HydrophobicContact CE1-CD1 4.32Å
203	T	90.7	Very high	88.8	Confident	22 Å²	22	39.2 Å²	39.2	14%	0.135	22%	0.217	C	C	.	.			trans	-130.3	171.5	-172.8	63.7	0	0	0	0	111.3	R205 D206 A207	T203-R205 PolarHBondContact O-N 3.24Å; T203-R205 VanDerWaalsContact O-N 3.15Å; T203-R205 WeakPolarHBondContact OG1-CB 3.35Å; T203-R205 PolarHBondContact OG1-N 2.91Å; T203-D206 PolarHBondContact N-OD2 3.21Å; T203-D206 PolarHBondContact O-N 3.44Å; T203-D206 PolarHBondContact OG1-N 3.15Å; T203-D206 PolarHBondContact OG1-OD2 3.13Å; T203-A207 PolarHBondContact O-N 3.42Å
204	E	92.1	Very high	89.3	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-56	-27.7	168	-70.4	-174	-132.1	0	0	112.4	A207 T208 L303 S337 W366 L379	E204-A207 PolarHBondContact O-N 3.41Å; E204-T208 WeakPolarHBondContact O-CB 3.4Å; E204-T208 VanDerWaalsContact O-CG2 3.31Å; E204-T208 WeakPolarHBondContact O-CG2 3.5Å; E204-T208 PolarHBondContact O-N 2.93Å; E204-T208 PolarHBondContact O-OG1 2.93Å; E204-L303 HydrophobicContact CG-CD2 4.01Å; E204-S337 WeakPolarHBondContact OE1-CB 3Å; E204-S337 PolarHBondContact OE1-N 2.67Å; E204-S337 WeakPolarHBondContact OE2-CB 3.48Å; E204-S337 PolarHBondContact OE2-OG 2.79Å; E204-W366 HydrophobicContact CB-CZ2 4.46Å; E204-W366 PolarHBondContact OE2-NE1 2.9Å; E204-L379 HydrophobicContact CG-CD1 4.23Å
205	R	89.5	Confident	89.8	Confident	106 Å²	106	33.6 Å²	33.6	40%	0.4	19%	0.188	S	C	.	.	H	α-helix	trans	-68.7	-33.6	174.9	-164.4	167.4	-159	-158.6	-0.1	112.9	T203 T208 R209 M370 A371	T203-R205 PolarHBondContact O-N 3.24Å; T203-R205 VanDerWaalsContact O-N 3.15Å; T203-R205 WeakPolarHBondContact OG1-CB 3.35Å; T203-R205 PolarHBondContact OG1-N 2.91Å; R205-T208 WeakPolarHBondContact CA-OG1 3.41Å; R205-T208 PolarHBondContact O-OG1 3.47Å; R205-R209 VanDerWaalsContact O-CD 3.27Å; R205-R209 WeakPolarHBondContact O-CD 3.32Å; R205-R209 WeakPolarHBondContact O-CG 3.48Å; R205-R209 PolarHBondContact O-N 3.5Å; R205-M370 PolarHBondContact NE-O 3.29Å; R205-A371 HydrophobicContact CB-CB 3.55Å; R205-A371 HydrophobicContact CG-CB 3.63Å
206	D	90.6	Very high	90.4	Very high	19 Å²	19	34.3 Å²	34.3	10%	0.102	19%	0.194	C	C	.	.	H	α-helix	trans	-75.8	-40.2	174.2	-59.1	-80.6	0	0	0	110.9	R199 F202 T203 R209 V210	R199-D206 IonicContact CZ-OD1 3.75Å; R199-D206 IonicContact NH1-OD1 2.8Å; R199-D206 PolarHBondContact NH1-OD1 2.91Å; R199-D206 IonicContact NH2-OD1 3.74Å; F202-D206 HydrophobicContact CD2-CB 3.53Å; F202-D206 HydrophobicContact CE2-CB 3.37Å; F202-D206 HydrophobicContact CG-CB 4.17Å; F202-D206 HydrophobicContact CZ-CB 3.91Å; T203-D206 PolarHBondContact N-OD2 3.21Å; T203-D206 PolarHBondContact O-N 3.44Å; T203-D206 PolarHBondContact OG1-N 3.15Å; T203-D206 PolarHBondContact OG1-OD2 3.13Å; D206-R209 PolarHBondContact O-N 2.97Å; D206-R209 IonicContact OD1-NH1 3.6Å; D206-V210 WeakPolarHBondContact O-CG2 3.21Å; D206-V210 PolarHBondContact O-N 2.9Å
207	A	93.1	Very high	90.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61	-47.1	175.3	0	0	0	0	0	112.4	F202 T203 E204 V210 L211 L302 W366	F202-A207 HydrophobicContact CE1-CB 3.95Å; F202-A207 HydrophobicContact CZ-CB 4.04Å; T203-A207 PolarHBondContact O-N 3.42Å; E204-A207 PolarHBondContact O-N 3.41Å; A207-V210 PolarHBondContact O-N 3.46Å; A207-L211 WeakPolarHBondContact O-CB 3.2Å; A207-L211 VanDerWaalsContact O-CG 3.32Å; A207-L211 WeakPolarHBondContact O-CG 3.26Å; A207-L211 PolarHBondContact O-N 3.23Å; A207-L302 HydrophobicContact CB-CB 4.4Å; A207-W366 HydrophobicContact CB-CH2 4.23Å; A207-W366 HydrophobicContact CB-CZ2 4.35Å
208	T	93.8	Very high	91.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.4	-43.4	177.8	46.2	0	0	0	0	112.1	E204 R205 V210 L211 Q212 W366 I367	E204-T208 WeakPolarHBondContact O-CB 3.4Å; E204-T208 VanDerWaalsContact O-CG2 3.31Å; E204-T208 WeakPolarHBondContact O-CG2 3.5Å; E204-T208 PolarHBondContact O-N 2.93Å; E204-T208 PolarHBondContact O-OG1 2.93Å; R205-T208 WeakPolarHBondContact CA-OG1 3.41Å; R205-T208 PolarHBondContact O-OG1 3.47Å; T208-V210 PolarHBondContact O-N 3.38Å; T208-L211 PolarHBondContact O-N 3.35Å; T208-Q212 WeakPolarHBondContact O-CB 3.42Å; T208-Q212 VanDerWaalsContact O-CG 3.27Å; T208-Q212 WeakPolarHBondContact O-CG 3.28Å; T208-Q212 PolarHBondContact O-N 2.86Å; T208-W366 HydrophobicContact CG2-CD2 3.62Å; T208-W366 VanDerWaalsContact CG2-CE2 3.41Å; T208-W366 HydrophobicContact CG2-CE3 3.96Å; T208-W366 HydrophobicContact CG2-CG 4.19Å; T208-W366 HydrophobicContact CG2-CH2 3.93Å; T208-W366 HydrophobicContact CG2-CZ2 3.56Å; T208-W366 HydrophobicContact CG2-CZ3 4.12Å; T208-W366 WeakPolarHBondContact CG2-O 3.35Å; T208-I367 HydrophobicContact CG2-CD1 4.29Å
209	R	92.4	Very high	92.2	Very high	97 Å²	97	32.3 Å²	32.3	37%	0.366	17%	0.167	S	C	.	.	H	α-helix	trans	-57.4	-45	172.7	-75	166.4	176.8	154.5	-7	113.1	R205 D206 M213 M370	R205-R209 VanDerWaalsContact O-CD 3.27Å; R205-R209 WeakPolarHBondContact O-CD 3.32Å; R205-R209 WeakPolarHBondContact O-CG 3.48Å; R205-R209 PolarHBondContact O-N 3.5Å; D206-R209 PolarHBondContact O-N 2.97Å; D206-R209 IonicContact OD1-NH1 3.6Å; R209-M213 WeakPolarHBondContact O-CE 3.44Å; R209-M213 PolarHBondContact O-N 2.71Å; R209-M370 HydrophobicContact CG-CE 4.38Å
210	V	94.6	Very high	93.1	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.03	17%	0.165	C	C	.	.	H	α-helix	trans	-60.4	-48.5	175.3	164.1	0	0	0	0	110.4	L192 D206 A207 T208 M213 V214 Y238 I247 L302	L192-V210 HydrophobicContact CD1-CG1 3.72Å; L192-V210 HydrophobicContact CD1-CG2 4.06Å; L192-V210 HydrophobicContact CD2-CG1 4Å; D206-V210 WeakPolarHBondContact O-CG2 3.21Å; D206-V210 PolarHBondContact O-N 2.9Å; A207-V210 PolarHBondContact O-N 3.46Å; T208-V210 PolarHBondContact O-N 3.38Å; V210-M213 PolarHBondContact O-N 3.19Å; V210-V214 WeakPolarHBondContact O-CG2 3.44Å; V210-V214 PolarHBondContact O-N 3.38Å; V210-V214 VanDerWaalsContact O-N 3.15Å; V210-Y238 VanDerWaalsContact CG2-OH 3.29Å; V210-Y238 WeakPolarHBondContact CG2-OH 3.39Å; V210-I247 HydrophobicContact CG1-CG1 4.36Å; V210-I247 HydrophobicContact CG2-CG1 4.47Å; V210-L302 HydrophobicContact CG1-CD1 4.02Å; V210-L302 HydrophobicContact CG1-CD2 4.43Å
211	L	96.4	Very high	94.1	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-68.8	-36.4	-176.7	-71	169	0	0	0	112.5	A207 T208 M213 V214 L215 S299 L302 F343 W366 I367	A207-L211 WeakPolarHBondContact O-CB 3.2Å; A207-L211 VanDerWaalsContact O-CG 3.32Å; A207-L211 WeakPolarHBondContact O-CG 3.26Å; A207-L211 PolarHBondContact O-N 3.23Å; T208-L211 PolarHBondContact O-N 3.35Å; L211-M213 PolarHBondContact O-N 2.97Å; L211-V214 PolarHBondContact O-N 2.91Å; L211-L215 HydrophobicContact CB-CD1 4.43Å; L211-L215 WeakPolarHBondContact O-CB 3.33Å; L211-L215 WeakPolarHBondContact O-CD1 3.39Å; L211-L215 WeakPolarHBondContact O-CG 3.32Å; L211-L215 PolarHBondContact O-N 2.92Å; L211-S299 WeakPolarHBondContact CD1-OG 3.18Å; L211-S299 VanDerWaalsContact CD2-OG 3.31Å; L211-S299 WeakPolarHBondContact CD2-OG 3.38Å; L211-L302 HydrophobicContact CD1-CD1 4.2Å; L211-L302 HydrophobicContact CD2-CD1 3.8Å; L211-L302 HydrophobicContact CG-CD1 3.85Å; L211-F343 HydrophobicContact CD1-CE1 4.28Å; L211-W366 HydrophobicContact CD1-CH2 3.71Å; L211-W366 HydrophobicContact CD1-CZ3 3.53Å; L211-I367 HydrophobicContact CB-CD1 4.04Å
212	Q	96.2	Very high	94.7	Very high	44 Å²	44	26.6 Å²	26.6	21%	0.206	12%	0.116	C	C	.	.	H	α-helix	trans	-53.6	-50.9	171.8	-76.9	172.5	-21.3	0	0	111.6	T208 V214 L215 D216 I367	T208-Q212 WeakPolarHBondContact O-CB 3.42Å; T208-Q212 VanDerWaalsContact O-CG 3.27Å; T208-Q212 WeakPolarHBondContact O-CG 3.28Å; T208-Q212 PolarHBondContact O-N 2.86Å; Q212-V214 PolarHBondContact O-N 3.09Å; Q212-L215 PolarHBondContact O-N 3.23Å; Q212-D216 PolarHBondContact O-N 2.67Å; Q212-I367 HydrophobicContact CG-CG2 3.66Å; Q212-I367 PolarHBondContact NE2-O 2.87Å
213	M	96.8	Very high	95.1	Very high	45 Å²	45	30.9 Å²	30.9	22%	0.222	15%	0.152	C	C	.	.	H	α-helix	trans	-61.9	-43.7	179.5	-75.9	-172.1	-74.4	0	0	112.9	N166 R209 V210 L211 G217 K246 I247	N166-M213 VanDerWaalsContact CB-O 3.26Å; N166-M213 WeakPolarHBondContact CB-O 3.31Å; N166-M213 VanDerWaalsContact CG-O 3.24Å; N166-M213 WeakPolarHBondContact ND2-CB 3.47Å; N166-M213 PolarHBondContact OD1-O 3.25Å; R209-M213 WeakPolarHBondContact O-CE 3.44Å; R209-M213 PolarHBondContact O-N 2.71Å; V210-M213 PolarHBondContact O-N 3.19Å; L211-M213 PolarHBondContact O-N 2.97Å; M213-G217 PolarHBondContact O-N 3.15Å; M213-K246 HydrophobicContact SD-CB 4.04Å; M213-I247 HydrophobicContact CB-CB 4.29Å; M213-I247 HydrophobicContact CE-CB 4.28Å; M213-I247 HydrophobicContact CE-CG1 3.85Å; M213-I247 HydrophobicContact SD-CB 4.45Å; M213-I247 PolarHBondContact SD-N 2.68Å; M213-I247 VanDerWaalsContact SD-N 3.42Å
214	V	97.9	Very high	95.2	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-70.9	-42	179.2	-178	0	0	0	0	110.9	V210 L211 Q212 D216 G217 V218 L236 I247 I249 L295	V210-V214 WeakPolarHBondContact O-CG2 3.44Å; V210-V214 PolarHBondContact O-N 3.38Å; V210-V214 VanDerWaalsContact O-N 3.15Å; L211-V214 PolarHBondContact O-N 2.91Å; Q212-V214 PolarHBondContact O-N 3.09Å; V214-D216 VanDerWaalsContact C-N 3.35Å; V214-D216 PolarHBondContact O-N 3.39Å; V214-G217 PolarHBondContact O-N 1.93Å; V214-V218 HydrophobicContact CG1-CG2 4.27Å; V214-V218 WeakPolarHBondContact O-CB 3.44Å; V214-V218 VanDerWaalsContact O-CG2 3.32Å; V214-V218 WeakPolarHBondContact O-CG2 3.49Å; V214-V218 PolarHBondContact O-N 3.18Å; V214-L236 HydrophobicContact CG1-CD1 4.36Å; V214-L236 HydrophobicContact CG1-CD2 3.99Å; V214-L236 HydrophobicContact CG2-CD1 4.06Å; V214-L236 HydrophobicContact CG2-CD2 3.97Å; V214-I247 HydrophobicContact CG2-CB 4.37Å; V214-I247 HydrophobicContact CG2-CG2 3.57Å; V214-I249 HydrophobicContact CG1-CD1 4.24Å; V214-I249 HydrophobicContact CG1-CG1 4.35Å; V214-L295 HydrophobicContact CB-CD2 4.5Å; V214-L295 HydrophobicContact CG1-CD1 4.42Å; V214-L295 HydrophobicContact CG1-CD2 3.42Å; V214-L295 VanDerWaalsContact CG1-CD2 3.42Å
215	L	98.1	Very high	95.1	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-62.8	-38.2	178.4	-75.6	167.5	0	0	0	112.3	L211 Q212 V218 K219 M292 L295 F343 A358 A361 L362 I367	L211-L215 HydrophobicContact CB-CD1 4.43Å; L211-L215 WeakPolarHBondContact O-CB 3.33Å; L211-L215 WeakPolarHBondContact O-CD1 3.39Å; L211-L215 WeakPolarHBondContact O-CG 3.32Å; L211-L215 PolarHBondContact O-N 2.92Å; Q212-L215 PolarHBondContact O-N 3.23Å; L215-V218 PolarHBondContact O-N 3.11Å; L215-K219 WeakPolarHBondContact O-CB 3.42Å; L215-K219 PolarHBondContact O-N 2.67Å; L215-M292 HydrophobicContact CD2-CE 3.71Å; L215-L295 HydrophobicContact CD2-CD1 3.6Å; L215-L295 HydrophobicContact CG-CD1 4.31Å; L215-F343 HydrophobicContact CD1-CZ 4.27Å; L215-A358 HydrophobicContact CD2-CB 4.47Å; L215-A361 HydrophobicContact CD1-CB 4.03Å; L215-A361 HydrophobicContact CD2-CB 3.69Å; L215-L362 HydrophobicContact CB-CD1 4.33Å; L215-L362 HydrophobicContact CB-CD2 3.67Å; L215-L362 HydrophobicContact CB-CG 3.76Å; L215-L362 HydrophobicContact CD1-CD2 4.26Å; L215-L362 HydrophobicContact CD1-CG 4.42Å; L215-I367 HydrophobicContact CD1-CD1 4.27Å; L215-I367 HydrophobicContact CD1-CG1 4.45Å
216	D	98.1	Very high	95.2	Very high	42 Å²	42	28.1 Å²	28.1	23%	0.225	15%	0.146	C	C	.	.	H	α-helix	trans	-70.9	-39.3	177.8	-161.3	60.3	0	0	0	112.2	H164 Q212 V214 K219 Y220 L362	H164-D216 VanDerWaalsContact CE1-C 3.46Å; H164-D216 IonicContact CE1-OD2 3.8Å; H164-D216 PolarHBondContact CE1-OD2 3.14Å; H164-D216 IonicContact NE2-OD1 2.78Å; H164-D216 IonicContact NE2-OD2 2.78Å; H164-D216 PolarHBondContact NE2-OD2 3.37Å; Q212-D216 PolarHBondContact O-N 2.67Å; V214-D216 VanDerWaalsContact C-N 3.35Å; V214-D216 PolarHBondContact O-N 3.39Å; D216-K219 PolarHBondContact O-N 3.02Å; D216-K219 IonicContact OD1-NZ 2.7Å; D216-K219 PolarHBondContact OD1-NZ 2.8Å; D216-Y220 WeakPolarHBondContact O-CB 3.31Å; D216-Y220 PolarHBondContact O-N 3.44Å; D216-L362 HydrophobicContact CB-CD1 4.34Å
217	G	97.9	Very high	95.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.9	-41.2	170.3	0	0	0	0	0	113.1	H164 M213 V214 Y220 L221	H164-G217 PolarHBondContact CE1-N 3.28Å; M213-G217 PolarHBondContact O-N 3.15Å; V214-G217 PolarHBondContact O-N 1.93Å; G217-Y220 PolarHBondContact O-N 2.58Å; G217-L221 WeakPolarHBondContact O-CG 3.22Å; G217-L221 PolarHBondContact O-N 2.9Å
218	V	97.9	Very high	95.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-70	-40.7	176.6	171.5	0	0	0	0	111.8	V214 L215 Y220 L221 H222 L231 I249 D291 M292 L295 A358	V214-V218 HydrophobicContact CG1-CG2 4.27Å; V214-V218 WeakPolarHBondContact O-CB 3.44Å; V214-V218 VanDerWaalsContact O-CG2 3.32Å; V214-V218 WeakPolarHBondContact O-CG2 3.49Å; V214-V218 PolarHBondContact O-N 3.18Å; L215-V218 PolarHBondContact O-N 3.11Å; V218-Y220 VanDerWaalsContact C-N 3.32Å; V218-Y220 PolarHBondContact O-N 3.05Å; V218-L221 PolarHBondContact O-N 2.96Å; V218-H222 WeakPolarHBondContact CG1-CE1 3.4Å; V218-H222 WeakPolarHBondContact CG1-NE2 3.39Å; V218-H222 WeakPolarHBondContact O-CB 3.42Å; V218-H222 PolarHBondContact O-CD2 3.4Å; V218-H222 VanDerWaalsContact O-CD2 3.23Å; V218-H222 PolarHBondContact O-N 3.22Å; V218-L231 HydrophobicContact CG2-CD1 3.75Å; V218-L231 HydrophobicContact CG2-CD2 4.46Å; V218-I249 HydrophobicContact CG2-CD1 3.85Å; V218-D291 HydrophobicContact CG1-CB 4.24Å; V218-M292 HydrophobicContact CG1-SD 4.13Å; V218-L295 HydrophobicContact CB-CD1 4.3Å; V218-L295 HydrophobicContact CG1-CD1 4.28Å; V218-L295 HydrophobicContact CG2-CD1 4.13Å; V218-A358 HydrophobicContact CG1-CB 4.33Å
219	K	97.9	Very high	95.1	Very high	94 Å²	94	29.2 Å²	29.2	41%	0.409	15%	0.149	S	C	.	.	H	α-helix	trans	-56.2	-44.7	170.8	168	-174.5	143.9	-145.2	0	111.6	L215 D216 H222 A223 A358 L362	L215-K219 WeakPolarHBondContact O-CB 3.42Å; L215-K219 PolarHBondContact O-N 2.67Å; D216-K219 PolarHBondContact O-N 3.02Å; D216-K219 IonicContact OD1-NZ 2.7Å; D216-K219 PolarHBondContact OD1-NZ 2.8Å; K219-H222 PolarHBondContact O-N 3.43Å; K219-A223 WeakPolarHBondContact O-CB 3.38Å; K219-A223 PolarHBondContact O-N 3.23Å; K219-A358 HydrophobicContact CB-CB 3.75Å; K219-L362 HydrophobicContact CB-CD1 4.36Å; K219-L362 HydrophobicContact CD-CD1 3.49Å; K219-L362 VanDerWaalsContact CD-CD1 3.49Å
220	Y	97.8	Very high	94.9	Very high	60 Å²	60	25.3 Å²	25.3	24%	0.235	14%	0.135	C	C	.	.	H	α-helix	trans	-61.9	-46.5	176.1	173.9	-88.2	0	0	0	112.1	V162 R163 H164 I167 D216 G217 V218 H222 A223 L224	V162-Y220 HydrophobicContact CB-CE1 3.97Å; V162-Y220 HydrophobicContact CG1-CE1 4.07Å; R163-Y220 PolarHBondContact N-OH 3.14Å; R163-Y220 PolarHBondContact O-OH 2.88Å; H164-Y220 HydrophobicContact CB-CD1 3.81Å; H164-Y220 HydrophobicContact CB-CD2 4.26Å; H164-Y220 HydrophobicContact CB-CE1 3.98Å; H164-Y220 HydrophobicContact CB-CE2 4.4Å; H164-Y220 HydrophobicContact CB-CG 3.96Å; H164-Y220 AromaticContact CD2-CD2 3.82Å; H164-Y220 AromaticContact CD2-CG 3.78Å; I167-Y220 HydrophobicContact CD1-CD1 3.53Å; I167-Y220 HydrophobicContact CD1-CE1 4.05Å; D216-Y220 WeakPolarHBondContact O-CB 3.31Å; D216-Y220 PolarHBondContact O-N 3.44Å; G217-Y220 PolarHBondContact O-N 2.58Å; V218-Y220 VanDerWaalsContact C-N 3.32Å; V218-Y220 PolarHBondContact O-N 3.05Å; Y220-H222 PolarHBondContact O-N 3.21Å; Y220-A223 PolarHBondContact O-N 2.86Å; Y220-L224 HydrophobicContact CD1-CD1 4.15Å; Y220-L224 HydrophobicContact CE1-CD1 3.47Å; Y220-L224 VanDerWaalsContact CE1-CD1 3.47Å; Y220-L224 HydrophobicContact CE1-CG 4.42Å; Y220-L224 HydrophobicContact CE2-CD1 4.48Å; Y220-L224 PolarHBondContact O-N 3.33Å
221	L	95.9	Very high	94.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58.3	-46.8	174.4	-71.7	166	0	0	0	111.8	V158 V162 I167 G217 V218 A223 L224 G225 I226 F252	V158-L221 HydrophobicContact CG1-CD2 4.45Å; V162-L221 HydrophobicContact CG1-CD2 3.77Å; I167-L221 HydrophobicContact CD1-CD1 4.15Å; I167-L221 HydrophobicContact CD1-CD2 3.89Å; I167-L221 HydrophobicContact CD1-CG 3.69Å; G217-L221 WeakPolarHBondContact O-CG 3.22Å; G217-L221 PolarHBondContact O-N 2.9Å; V218-L221 PolarHBondContact O-N 2.96Å; L221-A223 VanDerWaalsContact C-N 3.34Å; L221-A223 PolarHBondContact O-N 2.87Å; L221-L224 PolarHBondContact O-N 3.39Å; L221-L224 VanDerWaalsContact O-N 3.12Å; L221-G225 PolarHBondContact O-N 2.83Å; L221-I226 CarbonylContact C-O 3.51Å; L221-I226 VanDerWaalsContact C-O 3.3Å; L221-I226 HydrophobicContact CB-CB 4.37Å; L221-I226 HydrophobicContact CD2-CB 4.19Å; L221-I226 HydrophobicContact CD2-CD1 4.47Å; L221-I226 HydrophobicContact CD2-CG2 3.95Å; L221-I226 WeakPolarHBondContact O-CA 3.42Å; L221-I226 WeakPolarHBondContact O-CB 3.45Å; L221-I226 PolarHBondContact O-N 2.87Å; L221-F252 HydrophobicContact CD1-CE1 3.71Å; L221-F252 HydrophobicContact CD1-CZ 4.1Å; L221-F252 HydrophobicContact CD2-CE1 3.58Å; L221-F252 HydrophobicContact CD2-CZ 4.12Å; L221-F252 HydrophobicContact CG-CE1 4.31Å
222	H	95.4	Very high	94.6	Very high	21 Å²	21	26.2 Å²	26.2	10%	0.097	14%	0.139	C	C	.	.	H	α-helix	trans	-64.6	-38.1	-178	-69.8	-168.6	0	0	0	111.9	V218 K219 Y220 L224 G225 I226 N288 D291	V218-H222 WeakPolarHBondContact CG1-CE1 3.4Å; V218-H222 WeakPolarHBondContact CG1-NE2 3.39Å; V218-H222 WeakPolarHBondContact O-CB 3.42Å; V218-H222 PolarHBondContact O-CD2 3.4Å; V218-H222 VanDerWaalsContact O-CD2 3.23Å; V218-H222 PolarHBondContact O-N 3.22Å; K219-H222 PolarHBondContact O-N 3.43Å; Y220-H222 PolarHBondContact O-N 3.21Å; H222-L224 VanDerWaalsContact C-N 3.31Å; H222-L224 PolarHBondContact O-N 3.2Å; H222-G225 PolarHBondContact O-N 3.48Å; H222-I226 PolarHBondContact CD2-O 2.89Å; H222-N288 PolarHBondContact CE1-O 2.83Å; H222-N288 PolarHBondContact ND1-ND2 2.79Å; H222-D291 IonicContact CD2-OD2 2.61Å; H222-D291 IonicContact CE1-OD2 2.82Å; H222-D291 IonicContact NE2-OD2 3.21Å; H222-D291 PolarHBondContact NE2-OD2 3.12Å
223	A	94.7	Very high	94.2	Very high	90 Å²	90	24.4 Å²	24.4	74%	0.744	13%	0.131	S	C	*	.	H	α-helix	trans	-63.5	-33.7	173.6	0	0	0	0	0	112.9	K219 Y220 L221 G225	K219-A223 WeakPolarHBondContact O-CB 3.38Å; K219-A223 PolarHBondContact O-N 3.23Å; Y220-A223 PolarHBondContact O-N 2.86Å; L221-A223 VanDerWaalsContact C-N 3.34Å; L221-A223 PolarHBondContact O-N 2.87Å; A223-G225 PolarHBondContact O-N 3.48Å
224	L	92.4	Very high	93.7	Very high	61 Å²	61	25.7 Å²	25.7	32%	0.319	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	2.2	172.2	-66.4	-179.8	0	0	0	114	R161 V162 Y220 L221 H222 I226	R161-L224 PolarHBondContact NH2-O 3.02Å; V162-L224 HydrophobicContact CG1-CD1 4.12Å; Y220-L224 HydrophobicContact CD1-CD1 4.15Å; Y220-L224 HydrophobicContact CE1-CD1 3.47Å; Y220-L224 VanDerWaalsContact CE1-CD1 3.47Å; Y220-L224 HydrophobicContact CE1-CG 4.42Å; Y220-L224 HydrophobicContact CE2-CD1 4.48Å; Y220-L224 PolarHBondContact O-N 3.33Å; L221-L224 PolarHBondContact O-N 3.39Å; L221-L224 VanDerWaalsContact O-N 3.12Å; H222-L224 VanDerWaalsContact C-N 3.31Å; H222-L224 PolarHBondContact O-N 3.2Å; L224-I226 VanDerWaalsContact C-N 3.31Å; L224-I226 HydrophobicContact CB-CD1 3.86Å; L224-I226 HydrophobicContact CB-CG1 4.01Å; L224-I226 HydrophobicContact CD1-CD1 4.2Å
225	G	90.6	Very high	93.5	Very high	10 Å²	10	26.1 Å²	26.1	10%	0.103	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	26.8	-174.8	0	0	0	0	0	113.4	L221 H222 A223 S257 R258	L221-G225 PolarHBondContact O-N 2.83Å; H222-G225 PolarHBondContact O-N 3.48Å; A223-G225 PolarHBondContact O-N 3.48Å; G225-S257 WeakPolarHBondContact O-CA 3.25Å; G225-R258 PolarHBondContact O-N 3.19Å
226	I	91.7	Very high	93.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.8	-179.2	-55.4	173	0	0	0	109.2	V158 V162 L221 H222 L224 A255 S256	V158-I226 HydrophobicContact CG1-CD1 4.13Å; V158-I226 HydrophobicContact CG1-CG2 4.06Å; V158-I226 HydrophobicContact CG2-CD1 4.34Å; V158-I226 HydrophobicContact CG2-CG2 3.75Å; V162-I226 HydrophobicContact CG1-CD1 4.02Å; L221-I226 CarbonylContact C-O 3.51Å; L221-I226 VanDerWaalsContact C-O 3.3Å; L221-I226 HydrophobicContact CB-CB 4.37Å; L221-I226 HydrophobicContact CD2-CB 4.19Å; L221-I226 HydrophobicContact CD2-CD1 4.47Å; L221-I226 HydrophobicContact CD2-CG2 3.95Å; L221-I226 WeakPolarHBondContact O-CA 3.42Å; L221-I226 WeakPolarHBondContact O-CB 3.45Å; L221-I226 PolarHBondContact O-N 2.87Å; H222-I226 PolarHBondContact CD2-O 2.89Å; L224-I226 VanDerWaalsContact C-N 3.31Å; L224-I226 HydrophobicContact CB-CD1 3.86Å; L224-I226 HydrophobicContact CB-CG1 4.01Å; L224-I226 HydrophobicContact CD1-CD1 4.2Å; I226-A255 HydrophobicContact CG2-CB 4.48Å; I226-S256 CarbonylContact C-O 3.56Å; I226-S256 WeakPolarHBondContact CA-O 3.43Å
227	T	92	Very high	93.3	Very high	1 Å²	1	26 Å²	26	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134.1	173.6	-51.6	0	0	0	0	109.1	R229 A255 S256 N288 V290 D291	T227-R229 HydrophobicContact CG2-CG 3.67Å; T227-A255 CarbonylContact O-C 3.6Å; T227-A255 VanDerWaalsContact O-CA 3.23Å; T227-A255 WeakPolarHBondContact O-CA 3.35Å; T227-S256 PolarHBondContact N-O 3.05Å; T227-S256 PolarHBondContact O-N 3.18Å; T227-N288 HydrophobicContact CG2-CB 4.35Å; T227-V290 HydrophobicContact CG2-CG2 3.63Å; T227-D291 WeakPolarHBondContact CA-OD2 3.26Å; T227-D291 WeakPolarHBondContact CG2-OD2 3.47Å
228	H	92.8	Very high	93.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.			trans	-77.8	-42.8	-173.7	-166.1	-86	0	0	0	112.6	D230 L231 T250 F252 D291	H228-D230 PolarHBondContact CE1-O 2.94Å; H228-D230 VanDerWaalsContact ND1-C 3.28Å; H228-D230 PolarHBondContact ND1-O 3.3Å; H228-D230 PolarHBondContact O-N 2.96Å; H228-L231 HydrophobicContact CB-CD1 4.43Å; H228-L231 HydrophobicContact CB-CD2 4.12Å; H228-L231 HydrophobicContact CB-CG 3.89Å; H228-L231 PolarHBondContact ND1-N 2.87Å; H228-T250 PolarHBondContact CE1-O 3.03Å; H228-T250 PolarHBondContact NE2-O 2.8Å; H228-F252 AromaticContact CD2-CD1 3.67Å; H228-F252 AromaticContact CD2-CE1 3.45Å; H228-F252 VanDerWaalsContact CD2-CE1 3.45Å; H228-F252 WeakPolarHBondContact CD2-CE1 3.25Å; H228-D291 WeakPolarHBondContact CB-OD1 3.46Å; H228-D291 PolarHBondContact N-OD1 3.43Å; H228-D291 PolarHBondContact N-OD2 3.49Å
229	R	89.4	Confident	93	Very high	40 Å²	40	29.9 Å²	29.9	15%	0.151	15%	0.153	C	C	.	.	S	Bend	trans	61.5	-2.9	177.4	-51.2	-170.3	-63.7	-177.5	-5.4	117.2	T227 L254 A255 Y286 V290 D291	T227-R229 HydrophobicContact CG2-CG 3.67Å; R229-L254 VanDerWaalsContact CZ-O 3.22Å; R229-L254 PolarHBondContact NE-O 2.83Å; R229-L254 PolarHBondContact NH2-O 2.9Å; R229-A255 PolarHBondContact NH2-O 3.47Å; R229-A255 VanDerWaalsContact NH2-O 3.09Å; R229-Y286 WeakPolarHBondContact CD-OH 3.46Å; R229-Y286 HydrophobicContact CG-CE2 4.36Å; R229-Y286 PolarHBondContact NH1-OH 3.19Å; R229-V290 HydrophobicContact CG-CG2 4.37Å; R229-D291 PolarHBondContact N-OD1 2.88Å
230	D	88.8	Confident	92.8	Very high	15 Å²	15	28.1 Å²	28.1	8%	0.08	15%	0.146	C	C	.	.			trans	-138.1	41	174.6	-152.1	47	0	0	0	111.8	H228 K232 N235 L254 G271	H228-D230 PolarHBondContact CE1-O 2.94Å; H228-D230 VanDerWaalsContact ND1-C 3.28Å; H228-D230 PolarHBondContact ND1-O 3.3Å; H228-D230 PolarHBondContact O-N 2.96Å; D230-K232 PolarHBondContact O-N 2.96Å; D230-K232 IonicContact OD2-NZ 2.79Å; D230-K232 PolarHBondContact OD2-NZ 2.99Å; D230-N235 PolarHBondContact O-ND2 2.93Å; D230-N235 PolarHBondContact OD2-ND2 2.92Å; D230-L254 HydrophobicContact CB-CB 4.19Å; D230-L254 HydrophobicContact CB-CD1 3.86Å; D230-L254 HydrophobicContact CB-CG 4.29Å; D230-G271 WeakPolarHBondContact OD1-CA 3.49Å
231	L	93.8	Very high	92.5	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	17%	0.165	C	C	.	.			trans	-69.1	120.8	171.2	-71.3	175.3	0	0	0	109	V218 H228 I249 D291 A294 L295 I298	V218-L231 HydrophobicContact CG2-CD1 3.75Å; V218-L231 HydrophobicContact CG2-CD2 4.46Å; H228-L231 HydrophobicContact CB-CD1 4.43Å; H228-L231 HydrophobicContact CB-CD2 4.12Å; H228-L231 HydrophobicContact CB-CG 3.89Å; H228-L231 PolarHBondContact ND1-N 2.87Å; L231-I249 HydrophobicContact CD2-CG2 3.97Å; L231-D291 HydrophobicContact CD1-CB 3.66Å; L231-A294 HydrophobicContact CB-CB 3.87Å; L231-L295 HydrophobicContact CD1-CD2 3.96Å; L231-L295 HydrophobicContact CD1-CG 4.02Å; L231-I298 HydrophobicContact CB-CD1 4.48Å
232	K	90	Very high	92.1	Very high	22 Å²	22	31.2 Å²	31.2	10%	0.096	18%	0.179	C	C	.	.			trans	-157.4	158.4	-179.4	64.6	178.9	-169.5	-80	0	108.7	D230 E234 N235 Y275	D230-K232 PolarHBondContact O-N 2.96Å; D230-K232 IonicContact OD2-NZ 2.79Å; D230-K232 PolarHBondContact OD2-NZ 2.99Å; K232-E234 WeakPolarHBondContact CB-OE2 3.41Å; K232-E234 HydrophobicContact CD-CB 4.47Å; K232-E234 WeakPolarHBondContact CD-OE2 3.38Å; K232-E234 HydrophobicContact CG-CB 4.45Å; K232-E234 VanDerWaalsContact CG-OE2 3.29Å; K232-E234 WeakPolarHBondContact CG-OE2 3.44Å; K232-E234 PolarHBondContact O-N 3.46Å; K232-N235 WeakPolarHBondContact CE-OD1 3.35Å; K232-N235 HydrophobicContact CG-CB 4.05Å; K232-N235 PolarHBondContact NZ-ND2 3.42Å; K232-N235 PolarHBondContact NZ-OD1 2.81Å; K232-N235 WeakPolarHBondContact O-CB 3.48Å; K232-N235 PolarHBondContact O-N 2.79Å; K232-Y275 HydrophobicContact CB-CD2 4.26Å; K232-Y275 HydrophobicContact CB-CE2 4.25Å
233	P	87.6	Confident	91.6	Very high	6 Å²	6	34 Å²	34	4%	0.039	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-55	-37.3	-177.7	-25.4	33.6	0	0	0	114.2	F193 N235 L236 Y275 I298	F193-P233 HydrophobicContact CD2-CB 3.51Å; F193-P233 HydrophobicContact CD2-CG 3.65Å; F193-P233 HydrophobicContact CE2-CB 3.61Å; F193-P233 HydrophobicContact CE2-CG 3.23Å; F193-P233 HydrophobicContact CG-CB 4.5Å; F193-P233 HydrophobicContact CZ-CG 4.22Å; P233-N235 PolarHBondContact O-N 3.03Å; P233-L236 PolarHBondContact O-N 3.46Å; P233-Y275 VanDerWaalsContact CD-CZ 3.42Å; P233-Y275 WeakPolarHBondContact CD-OH 3.48Å; P233-Y275 HydrophobicContact CG-CE1 4.21Å; P233-Y275 WeakPolarHBondContact CG-OH 3.35Å; P233-I298 HydrophobicContact CG-CG1 4.43Å
234	E	87.9	Confident	91.3	Very high	73 Å²	73	36.1 Å²	36.1	34%	0.341	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-66.1	-18.2	-179.8	-46.4	95	119.5	0	0	112.5	E191 K232	E191-E234 WeakPolarHBondContact OE2-CA 3.37Å; K232-E234 WeakPolarHBondContact CB-OE2 3.41Å; K232-E234 HydrophobicContact CD-CB 4.47Å; K232-E234 WeakPolarHBondContact CD-OE2 3.38Å; K232-E234 HydrophobicContact CG-CB 4.45Å; K232-E234 VanDerWaalsContact CG-OE2 3.29Å; K232-E234 WeakPolarHBondContact CG-OE2 3.44Å; K232-E234 PolarHBondContact O-N 3.46Å
235	N	92.9	Very high	91.4	Very high	9 Å²	9	33.4 Å²	33.4	5%	0.048	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-97.5	1.3	176.2	-75.8	4	0	0	0	112.9	D230 K232 P233 T250	D230-N235 PolarHBondContact O-ND2 2.93Å; D230-N235 PolarHBondContact OD2-ND2 2.92Å; K232-N235 WeakPolarHBondContact CE-OD1 3.35Å; K232-N235 HydrophobicContact CG-CB 4.05Å; K232-N235 PolarHBondContact NZ-ND2 3.42Å; K232-N235 PolarHBondContact NZ-OD1 2.81Å; K232-N235 WeakPolarHBondContact O-CB 3.48Å; K232-N235 PolarHBondContact O-N 2.79Å; P233-N235 PolarHBondContact O-N 3.03Å; N235-T250 WeakPolarHBondContact CA-OG1 3.22Å; N235-T250 WeakPolarHBondContact CB-O 3.41Å; N235-T250 PolarHBondContact O-N 3.36Å; N235-T250 PolarHBondContact O-OG1 3.43Å
236	L	95.9	Very high	91.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	101.3	178.2	-65	-177.9	0	0	0	110.2	L192 V214 P233 I247 I249 I298	L192-L236 HydrophobicContact CB-CB 4.21Å; L192-L236 HydrophobicContact CD2-CB 4.28Å; L192-L236 HydrophobicContact CD2-CD1 3.85Å; L192-L236 PolarHBondContact N-O 3.28Å; L192-L236 VanDerWaalsContact N-O 3.07Å; V214-L236 HydrophobicContact CG1-CD1 4.36Å; V214-L236 HydrophobicContact CG1-CD2 3.99Å; V214-L236 HydrophobicContact CG2-CD1 4.06Å; V214-L236 HydrophobicContact CG2-CD2 3.97Å; P233-L236 PolarHBondContact O-N 3.46Å; L236-I247 HydrophobicContact CB-CG2 4.41Å; L236-I247 HydrophobicContact CD2-CG2 4.32Å; L236-I249 HydrophobicContact CD2-CB 4.45Å; L236-I249 HydrophobicContact CD2-CG1 3.81Å; L236-I298 HydrophobicContact CD1-CD1 4.05Å; L236-I298 HydrophobicContact CD1-CG2 4.26Å
237	L	95.1	Very high	91.8	Very high	42 Å²	42	34.8 Å²	34.8	22%	0.22	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	144.4	-173.8	-53.8	-174.7	0	0	0	111.8	A187 G190 E191 I247 I248 T250	A187-L237 HydrophobicContact CB-CB 3.76Å; A187-L237 HydrophobicContact CB-CD1 3.91Å; G190-L237 WeakPolarHBondContact O-CA 3.4Å; E191-L237 HydrophobicContact CB-CD2 4.38Å; E191-L237 HydrophobicContact CG-CD2 3.74Å; L237-I247 CarbonylContact O-C 3.59Å; L237-I247 WeakPolarHBondContact O-CA 3.47Å; L237-I248 PolarHBondContact N-O 3.05Å; L237-I248 PolarHBondContact O-N 3.15Å; L237-T250 HydrophobicContact CD1-CG2 4.02Å; L237-T250 HydrophobicContact CG-CG2 4.12Å
238	Y	95.8	Very high	92	Very high	10 Å²	10	34.8 Å²	34.8	4%	0.039	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	138.2	167.8	-77.4	-80.2	0	0	0	111	T188 G189 G190 L192 R195 V210 S245 I247	T188-Y238 PolarHBondContact N-O 3.44Å; G189-Y238 VanDerWaalsContact CA-O 3.3Å; G189-Y238 WeakPolarHBondContact CA-O 3.39Å; G189-Y238 PolarHBondContact N-O 3.43Å; G190-Y238 PolarHBondContact O-N 3.33Å; L192-Y238 HydrophobicContact CD1-CE2 3.78Å; R195-Y238 HydrophobicContact CB-CD2 3.86Å; R195-Y238 HydrophobicContact CB-CE2 3.78Å; R195-Y238 VanDerWaalsContact CD-CE2 3.43Å; R195-Y238 HydrophobicContact CG-CD2 4.15Å; R195-Y238 HydrophobicContact CG-CE2 4.14Å; V210-Y238 VanDerWaalsContact CG2-OH 3.29Å; V210-Y238 WeakPolarHBondContact CG2-OH 3.39Å; Y238-S245 WeakPolarHBondContact CD1-O 3.28Å; Y238-I247 HydrophobicContact CD1-CD1 3.56Å; Y238-I247 HydrophobicContact CD1-CG1 4.17Å; Y238-I247 HydrophobicContact CD2-CD1 3.8Å; Y238-I247 HydrophobicContact CE1-CD1 3.43Å; Y238-I247 VanDerWaalsContact CE1-CD1 3.43Å; Y238-I247 HydrophobicContact CE1-CG1 3.91Å; Y238-I247 HydrophobicContact CE2-CD1 3.67Å; Y238-I247 HydrophobicContact CG-CD1 3.78Å
239	Y	94.9	Very high	92.3	Very high	71 Å²	71	34.8 Å²	34.8	28%	0.278	19%	0.194	S	C	.	.	S	Bend	trans	-66.4	-46.8	-175.6	-175.4	-136.9	0	0	0	113	T188 S245 K246 I248	T188-Y239 PolarHBondContact N-O 2.9Å; T188-Y239 PolarHBondContact OG1-O 2.81Å; Y239-S245 PolarHBondContact N-OG 2.83Å; Y239-S245 VanDerWaalsContact N-OG 3.13Å; Y239-K246 HydrophobicContact CD1-CD 4.46Å; Y239-K246 HydrophobicContact CD1-CG 4.26Å; Y239-K246 HydrophobicContact CG-CG 4.26Å; Y239-K246 PolarHBondContact N-O 3.27Å; Y239-I248 HydrophobicContact CD2-CD1 3.56Å; Y239-I248 HydrophobicContact CE2-CD1 4.44Å; Y239-I248 HydrophobicContact CG-CD1 3.91Å
240	H	93.8	Very high	92.5	Very high	56 Å²	56	33.7 Å²	33.7	26%	0.259	19%	0.192	S	C	.	.	S	Bend	trans	-133.7	167.3	172.3	47.1	97.5	0	0	0	112.4	T188 G189 G242 D244 S245	T188-H240 WeakPolarHBondContact OG1-CA 3.48Å; G189-H240 WeakPolarHBondContact CA-O 3.11Å; H240-G242 VanDerWaalsContact C-N 3.32Å; H240-D244 IonicContact CE1-OD1 2.68Å; H240-D244 PolarHBondContact CE1-OD1 2.89Å; H240-D244 IonicContact CE1-OD2 2.97Å; H240-D244 PolarHBondContact CE1-OD2 3.46Å; H240-D244 IonicContact ND1-OD1 3.42Å; H240-S245 VanDerWaalsContact CE1-CA 3.45Å; H240-S245 WeakPolarHBondContact CE1-CA 3.21Å; H240-S245 PolarHBondContact N-OG 3.27Å; H240-S245 WeakPolarHBondContact O-CB 3.23Å; H240-S245 PolarHBondContact O-OG 3.02Å
241	P	90.4	Very high	92.3	Very high	96 Å²	96	35.6 Å²	35.6	62%	0.623	20%	0.202	S	C	*	.	S	Bend	trans	-72.5	-17	174.8	26.2	-35.2	0	0	0	114.8	R195	R195-P241 PolarHBondContact NH2-O 2.93Å
242	G	88.7	Confident	92	Very high	29 Å²	29	35.5 Å²	35.5	30%	0.299	20%	0.201	S	C	.	.	S	Bend	trans	-59.7	144.7	178.8	0	0	0	0	0	114.1	R195 H240 D244 S245	R195-G242 VanDerWaalsContact NH2-C 3.25Å; R195-G242 PolarHBondContact NH2-O 3.35Å; H240-G242 VanDerWaalsContact C-N 3.32Å; G242-D244 PolarHBondContact O-N 3.47Å; G242-D244 VanDerWaalsContact O-N 3.13Å; G242-S245 WeakPolarHBondContact O-CB 3.5Å; G242-S245 PolarHBondContact O-N 3.31Å
243	A	85.2	Confident	91.4	Very high	81 Å²	81	34.7 Å²	34.7	67%	0.669	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.7	-165.3	0	0	0	0	0	115	S245	A243-S245 VanDerWaalsContact C-N 3.34Å
244	D	87.5	Confident	90.9	Very high	134 Å²	134	35.5 Å²	35.5	72%	0.717	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-9.5	177.4	59.6	-44.2	0	0	0	115	H240 G242 K246	H240-D244 IonicContact CE1-OD1 2.68Å; H240-D244 PolarHBondContact CE1-OD1 2.89Å; H240-D244 IonicContact CE1-OD2 2.97Å; H240-D244 PolarHBondContact CE1-OD2 3.46Å; H240-D244 IonicContact ND1-OD1 3.42Å; G242-D244 PolarHBondContact O-N 3.47Å; G242-D244 VanDerWaalsContact O-N 3.13Å; D244-K246 PolarHBondContact O-N 2.77Å
245	S	94	Very high	90.4	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.028	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-53.2	126.9	-174.4	177.1	0	0	0	0	115.5	Y238 Y239 H240 G242 A243	Y238-S245 WeakPolarHBondContact CD1-O 3.28Å; Y239-S245 PolarHBondContact N-OG 2.83Å; Y239-S245 VanDerWaalsContact N-OG 3.13Å; H240-S245 VanDerWaalsContact CE1-CA 3.45Å; H240-S245 WeakPolarHBondContact CE1-CA 3.21Å; H240-S245 PolarHBondContact N-OG 3.27Å; H240-S245 WeakPolarHBondContact O-CB 3.23Å; H240-S245 PolarHBondContact O-OG 3.02Å; G242-S245 WeakPolarHBondContact O-CB 3.5Å; G242-S245 PolarHBondContact O-N 3.31Å; A243-S245 VanDerWaalsContact C-N 3.34Å
246	K	94.9	Very high	89.8	Confident	39 Å²	39	33.3 Å²	33.3	17%	0.17	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-66.7	149.3	173.3	67.3	176.1	-173.4	162	0	112.9	T165 E185 M213 Y239 D244 I248	T165-K246 WeakPolarHBondContact O-CD 3.47Å; T165-K246 WeakPolarHBondContact O-CE 3.43Å; T165-K246 PolarHBondContact O-NZ 3.22Å; T165-K246 WeakPolarHBondContact OG1-CD 3.15Å; E185-K246 IonicContact OE1-NZ 2.7Å; M213-K246 HydrophobicContact SD-CB 4.04Å; Y239-K246 HydrophobicContact CD1-CD 4.46Å; Y239-K246 HydrophobicContact CD1-CG 4.26Å; Y239-K246 HydrophobicContact CG-CG 4.26Å; Y239-K246 PolarHBondContact N-O 3.27Å; D244-K246 PolarHBondContact O-N 2.77Å; K246-I248 HydrophobicContact CG-CG1 4.36Å
247	I	96.6	Very high	88.7	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	143.6	163.9	-66.5	-73.1	0	0	0	109.9	N166 L192 V210 M213 V214 L236 L237 Y238	N166-I247 WeakPolarHBondContact CA-O 3.46Å; N166-I247 PolarHBondContact ND2-O 3.19Å; L192-I247 HydrophobicContact CD1-CD1 4.04Å; V210-I247 HydrophobicContact CG1-CG1 4.36Å; V210-I247 HydrophobicContact CG2-CG1 4.47Å; M213-I247 HydrophobicContact CB-CB 4.29Å; M213-I247 HydrophobicContact CE-CB 4.28Å; M213-I247 HydrophobicContact CE-CG1 3.85Å; M213-I247 HydrophobicContact SD-CB 4.45Å; M213-I247 PolarHBondContact SD-N 2.68Å; M213-I247 VanDerWaalsContact SD-N 3.42Å; V214-I247 HydrophobicContact CG2-CB 4.37Å; V214-I247 HydrophobicContact CG2-CG2 3.57Å; L236-I247 HydrophobicContact CB-CG2 4.41Å; L236-I247 HydrophobicContact CD2-CG2 4.32Å; L237-I247 CarbonylContact O-C 3.59Å; L237-I247 WeakPolarHBondContact O-CA 3.47Å; Y238-I247 HydrophobicContact CD1-CD1 3.56Å; Y238-I247 HydrophobicContact CD1-CG1 4.17Å; Y238-I247 HydrophobicContact CD2-CD1 3.8Å; Y238-I247 HydrophobicContact CE1-CD1 3.43Å; Y238-I247 VanDerWaalsContact CE1-CD1 3.43Å; Y238-I247 HydrophobicContact CE1-CG1 3.91Å; Y238-I247 HydrophobicContact CE2-CD1 3.67Å; Y238-I247 HydrophobicContact CG-CD1 3.78Å
248	I	96.8	Very high	87.3	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129.9	174	-57.6	-176.3	0	0	0	109.4	I168 L237 Y239 K246 T250	I168-I248 HydrophobicContact CB-CG2 3.73Å; I168-I248 HydrophobicContact CD1-CD1 4.47Å; I168-I248 HydrophobicContact CD1-CG2 3.87Å; I168-I248 HydrophobicContact CG1-CG2 4.44Å; L237-I248 PolarHBondContact N-O 3.05Å; L237-I248 PolarHBondContact O-N 3.15Å; Y239-I248 HydrophobicContact CD2-CD1 3.56Å; Y239-I248 HydrophobicContact CE2-CD1 4.44Å; Y239-I248 HydrophobicContact CG-CD1 3.91Å; K246-I248 HydrophobicContact CG-CG1 4.36Å; I248-T250 HydrophobicContact CG2-CG2 4.12Å
249	I	97.4	Very high	85.4	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	134.6	171.4	-58.4	163.8	0	0	0	109.7	N166 I168 V214 V218 L231 L236 F252	N166-I249 WeakPolarHBondContact O-CB 3.39Å; N166-I249 WeakPolarHBondContact O-CG1 3.46Å; N166-I249 PolarHBondContact O-N 3.14Å; I168-I249 PolarHBondContact N-O 2.84Å; I168-I249 VanDerWaalsContact N-O 3.12Å; V214-I249 HydrophobicContact CG1-CD1 4.24Å; V214-I249 HydrophobicContact CG1-CG1 4.35Å; V218-I249 HydrophobicContact CG2-CD1 3.85Å; L231-I249 HydrophobicContact CD2-CG2 3.97Å; L236-I249 HydrophobicContact CD2-CB 4.45Å; L236-I249 HydrophobicContact CD2-CG1 3.81Å; I249-F252 HydrophobicContact CG2-CZ 4.14Å
250	T	93.4	Very high	83	Confident	17 Å²	17	52.5 Å²	52.5	10%	0.104	28%	0.281	C	S	.	.			trans	-138.4	166.2	-171	68.5	0	0	0	0	113.7	I168 H228 N235 L237 I248	I168-T250 HydrophobicContact CB-CG2 4.19Å; I168-T250 HydrophobicContact CG2-CG2 4.49Å; H228-T250 PolarHBondContact CE1-O 3.03Å; H228-T250 PolarHBondContact NE2-O 2.8Å; N235-T250 WeakPolarHBondContact CA-OG1 3.22Å; N235-T250 WeakPolarHBondContact CB-O 3.41Å; N235-T250 PolarHBondContact O-N 3.36Å; N235-T250 PolarHBondContact O-OG1 3.43Å; L237-T250 HydrophobicContact CD1-CG2 4.02Å; L237-T250 HydrophobicContact CG-CG2 4.12Å; I248-T250 HydrophobicContact CG2-CG2 4.12Å
251	D	86.3	Confident	80.8	Confident	56 Å²	56	54.1 Å²	54.1	30%	0.299	31%	0.313	S	S	.	.			trans	64.5	64.5	176.5	-159.4	32.9	0	0	0	115.9	K139 G253	K139-D251 IonicContact NZ-OD1 2.7Å; K139-D251 PolarHBondContact NZ-OD1 3.05Å; D251-G253 PolarHBondContact O-N 2.65Å
252	F	86.3	Confident	78.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-71.3	12	175.3	-67	-86.2	0	0	0	114.3	E155 V158 L159 I167 I168 L221 H228 I249 L254 A255	E155-F252 HydrophobicContact CG-CB 4.3Å; V158-F252 HydrophobicContact CB-CB 4.27Å; V158-F252 HydrophobicContact CB-CD1 4.33Å; V158-F252 HydrophobicContact CB-CG 4.41Å; V158-F252 HydrophobicContact CG1-CB 4.2Å; V158-F252 HydrophobicContact CG1-CD1 3.45Å; V158-F252 VanDerWaalsContact CG1-CD1 3.45Å; V158-F252 HydrophobicContact CG1-CE1 3.89Å; V158-F252 HydrophobicContact CG1-CG 3.8Å; L159-F252 HydrophobicContact CD2-CD2 3.62Å; L159-F252 HydrophobicContact CD2-CE2 4.04Å; L159-F252 HydrophobicContact CD2-CG 4.46Å; L159-F252 HydrophobicContact CG-CD2 4.33Å; I167-F252 HydrophobicContact CG2-CE2 3.73Å; I167-F252 HydrophobicContact CG2-CZ 3.61Å; I168-F252 HydrophobicContact CG2-CD2 4.49Å; I168-F252 HydrophobicContact CG2-CE2 4.2Å; L221-F252 HydrophobicContact CD1-CE1 3.71Å; L221-F252 HydrophobicContact CD1-CZ 4.1Å; L221-F252 HydrophobicContact CD2-CE1 3.58Å; L221-F252 HydrophobicContact CD2-CZ 4.12Å; L221-F252 HydrophobicContact CG-CE1 4.31Å; H228-F252 AromaticContact CD2-CD1 3.67Å; H228-F252 AromaticContact CD2-CE1 3.45Å; H228-F252 VanDerWaalsContact CD2-CE1 3.45Å; H228-F252 WeakPolarHBondContact CD2-CE1 3.25Å; I249-F252 HydrophobicContact CG2-CZ 4.14Å; F252-L254 PolarHBondContact O-N 3.01Å; F252-A255 HydrophobicContact CB-CB 4.06Å; F252-A255 HydrophobicContact CD1-CB 4Å; F252-A255 VanDerWaalsContact O-CB 3.28Å; F252-A255 WeakPolarHBondContact O-CB 3.44Å; F252-A255 PolarHBondContact O-N 3Å
253	G	77.8	Confident	76.9	Confident	6 Å²	6	61 Å²	61	6%	0.062	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-59.3	-19.3	-178.7	0	0	0	0	0	114.9	D251	D251-G253 PolarHBondContact O-N 2.65Å
254	L	76.3	Confident	75.4	Confident	22 Å²	22	59.4 Å²	59.4	12%	0.115	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-111.3	5	174.5	-51.6	-168.4	0	0	0	114.2	R229 D230 F252 C270	R229-L254 VanDerWaalsContact CZ-O 3.22Å; R229-L254 PolarHBondContact NE-O 2.83Å; R229-L254 PolarHBondContact NH2-O 2.9Å; D230-L254 HydrophobicContact CB-CB 4.19Å; D230-L254 HydrophobicContact CB-CD1 3.86Å; D230-L254 HydrophobicContact CB-CG 4.29Å; F252-L254 PolarHBondContact O-N 3.01Å; L254-C270 HydrophobicContact CD1-CB 4.46Å
255	A	79.2	Confident	73.9	Confident	5 Å²	5	56.5 Å²	56.5	4%	0.041	30%	0.301	C	S	.	.			trans	-63.2	166.6	-178	0	0	0	0	0	112.2	V158 I226 T227 R229 F252	V158-A255 HydrophobicContact CG2-CB 3.85Å; I226-A255 HydrophobicContact CG2-CB 4.48Å; T227-A255 CarbonylContact O-C 3.6Å; T227-A255 VanDerWaalsContact O-CA 3.23Å; T227-A255 WeakPolarHBondContact O-CA 3.35Å; R229-A255 PolarHBondContact NH2-O 3.47Å; R229-A255 VanDerWaalsContact NH2-O 3.09Å; F252-A255 HydrophobicContact CB-CB 4.06Å; F252-A255 HydrophobicContact CD1-CB 4Å; F252-A255 VanDerWaalsContact O-CB 3.28Å; F252-A255 WeakPolarHBondContact O-CB 3.44Å; F252-A255 PolarHBondContact O-N 3Å
256	S	80.1	Confident	72.3	Confident	31 Å²	31	57.6 Å²	57.6	22%	0.217	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	131	170.2	-178.3	0	0	0	0	109.5	I226 T227	I226-S256 CarbonylContact C-O 3.56Å; I226-S256 WeakPolarHBondContact CA-O 3.43Å; T227-S256 PolarHBondContact N-O 3.05Å; T227-S256 PolarHBondContact O-N 3.18Å
257	S	72.1	Confident	70.2	Confident	29 Å²	29	63 Å²	63	20%	0.203	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	135.6	164.7	179.4	0	0	0	0	109	R161 G225	R161-S257 PolarHBondContact NH1-OG 3.05Å; G225-S257 WeakPolarHBondContact O-CA 3.25Å
258	R	65.4	Low	68.4	Low	113 Å²	113	66.9 Å²	66.9	43%	0.426	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-53.7	141.5	162.1	-65.3	178	-174.6	163.1	3.5	109.7	G225 C264 N288	G225-R258 PolarHBondContact O-N 3.19Å; R258-C264 VanDerWaalsContact CZ-SG 3.5Å; R258-C264 PolarHBondContact NE-SG 3.35Å; R258-C264 VanDerWaalsContact NE-SG 3.36Å; R258-C264 PolarHBondContact NH2-SG 3.49Å; R258-N288 PolarHBondContact NH2-OD1 3.31Å
259	K	56.8	Low	66.6	Low	160 Å²	160	68.8 Å²	68.8	70%	0.696	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-89.6	148.6	158.2	-69.8	-179.9	177.4	-179.9	0	108.1	G261 D262	K259-G261 PolarHBondContact O-N 2.85Å; K259-D262 HydrophobicContact CB-CB 4.37Å; K259-D262 PolarHBondContact O-N 3.28Å
260	K	43.9	Very low	64.8	Low	224 Å²	224	69.1 Å²	69.1	97%	0.974	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	127.5	172.3	-107.7	-173.8	172.8	-173.7	0	108.7
261	G	48.1	Very low	63.2	Low	91 Å²	91	69.1 Å²	69.1	94%	0.938	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.7	-5	177.8	0	0	0	0	0	116.4	K259	K259-G261 PolarHBondContact O-N 2.85Å
262	D	48.7	Very low	62.4	Low	117 Å²	117	68 Å²	68	63%	0.626	37%	0.366	S	S	*	.	S	Bend	trans	-84.8	139.3	173.7	-129.1	-27.3	0	0	0	110	K259	K259-D262 HydrophobicContact CB-CB 4.37Å; K259-D262 PolarHBondContact O-N 3.28Å
263	E	48.9	Very low	61.9	Low	152 Å²	152	69.8 Å²	69.8	71%	0.71	38%	0.377	S	S	*	.			trans	-60.5	146.8	172.4	-72.6	-167.2	134	0	0	110.7	L265	E263-L265 HydrophobicContact CB-CB 4.29Å; E263-L265 HydrophobicContact CB-CD1 4.1Å; E263-L265 HydrophobicContact CB-CG 4.13Å; E263-L265 PolarHBondContact O-N 3.45Å
264	C	52.4	Low	62.2	Low	47 Å²	47	71 Å²	71	32%	0.318	38%	0.382	S	S	.	.	S	Bend	trans	-76.7	43.3	-170.2	-170.5	0	0	0	0	114.1	R258	R258-C264 VanDerWaalsContact CZ-SG 3.5Å; R258-C264 PolarHBondContact NE-SG 3.35Å; R258-C264 VanDerWaalsContact NE-SG 3.36Å; R258-C264 PolarHBondContact NH2-SG 3.49Å
265	L	56.1	Low	62.8	Low	74 Å²	74	71 Å²	71	39%	0.387	38%	0.38	S	S	.	.			trans	-132.7	74.9	-152.4	-70.4	-169.7	0	0	0	111.4	E263 P285	E263-L265 HydrophobicContact CB-CB 4.29Å; E263-L265 HydrophobicContact CB-CD1 4.1Å; E263-L265 HydrophobicContact CB-CG 4.13Å; E263-L265 PolarHBondContact O-N 3.45Å; L265-P285 HydrophobicContact CB-CB 3.42Å; L265-P285 VanDerWaalsContact CB-CB 3.42Å; L265-P285 HydrophobicContact CB-CG 4.37Å; L265-P285 HydrophobicContact CD1-CB 4.44Å; L265-P285 HydrophobicContact CD2-CB 3.97Å; L265-P285 HydrophobicContact CG-CB 4.1Å
266	M	60.7	Low	63.2	Low	26 Å²	26	71.2 Å²	71.2	13%	0.128	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-73.7	136.5	-177.5	-58.6	-172.7	-169.5	0	0	112.4	P285 Y286	M266-P285 CarbonylContact O-C 3.45Å; M266-P285 VanDerWaalsContact O-CA 3.22Å; M266-P285 WeakPolarHBondContact O-CA 3.15Å; M266-Y286 HydrophobicContact CB-CD1 4.27Å; M266-Y286 HydrophobicContact CB-CD2 3.76Å; M266-Y286 HydrophobicContact CB-CE1 4.01Å; M266-Y286 HydrophobicContact CB-CE2 3.46Å; M266-Y286 VanDerWaalsContact CB-CE2 3.46Å; M266-Y286 HydrophobicContact CB-CG 4.15Å; M266-Y286 WeakPolarHBondContact CB-O 3.43Å; M266-Y286 HydrophobicContact CG-CD2 4.41Å; M266-Y286 HydrophobicContact CG-CE2 4.12Å; M266-Y286 PolarHBondContact N-O 3.33Å; M266-Y286 WeakPolarHBondContact O-CD1 3.37Å; M266-Y286 VanDerWaalsContact O-CE1 3.3Å; M266-Y286 WeakPolarHBondContact O-CE1 3.36Å; M266-Y286 PolarHBondContact O-N 3.14Å; M266-Y286 HydrophobicContact SD-CD2 4.29Å; M266-Y286 HydrophobicContact SD-CE2 3.71Å
267	K	51.7	Low	63.7	Low	152 Å²	152	69.8 Å²	69.8	66%	0.661	37%	0.371	S	S	*	.			trans	-116.1	0.8	-171.4	-64.3	170.5	-172.7	170.1	0	115.3	P285	K267-P285 HydrophobicContact CG-CB 4.08Å; K267-P285 HydrophobicContact CG-CG 4.24Å
268	T	57.9	Low	64.6	Low	83 Å²	83	68.7 Å²	68.7	51%	0.509	36%	0.362	S	S	.	.			trans	-87.1	127.1	-174.3	-46.8	0	0	0	0	112.4	C270 Y286	T268-C270 PolarHBondContact O-N 3.28Å; T268-Y286 VanDerWaalsContact O-CE1 3.32Å; T268-Y286 WeakPolarHBondContact O-CE1 3.48Å; T268-Y286 PolarHBondContact O-OH 3.15Å
269	T	58.4	Low	65.6	Low	40 Å²	40	63.7 Å²	63.7	25%	0.245	34%	0.344	C	S	.	.			trans	-78.3	113.7	169.9	57.2	0	0	0	0	111	I280 R283 L423	T269-I280 HydrophobicContact CG2-CG2 4.3Å; T269-R283 HydrophobicContact CG2-CG 4.39Å; T269-L423 HydrophobicContact CG2-CD2 4.18Å
270	C	60.8	Low	67	Low	6 Å²	6	56.4 Å²	56.4	4%	0.041	31%	0.313	C	S	.	.			trans	-147.6	175.5	177.1	55.6	0	0	0	0	110.8	L254 T268	L254-C270 HydrophobicContact CD1-CB 4.46Å; T268-C270 PolarHBondContact O-N 3.28Å
271	G	59.9	Low	68.8	Low	18 Å²	18	45.8 Å²	45.8	19%	0.186	27%	0.267	C	S	.	.	S	Bend	trans	100.9	165.2	-176.5	0	0	0	0	0	114.3	D230	D230-G271 WeakPolarHBondContact OD1-CA 3.49Å
272	T	69.6	Low	70.4	Confident	33 Å²	33	42.1 Å²	42.1	20%	0.202	23%	0.226	C	C	.	.			trans	-71.5	130.5	168.5	-67.5	0	0	0	0	110.2	E274 Y275 I276	T272-E274 VanDerWaalsContact CG2-OE2 3.26Å; T272-E274 WeakPolarHBondContact CG2-OE2 3.26Å; T272-E274 PolarHBondContact O-N 2.77Å; T272-Y275 HydrophobicContact CG2-CD2 3.7Å; T272-Y275 HydrophobicContact CG2-CE2 4.03Å; T272-Y275 PolarHBondContact O-N 2.95Å; T272-I276 PolarHBondContact O-N 2.69Å
273	P	75.4	Confident	71.4	Confident	37 Å²	37	40 Å²	40	24%	0.24	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-28.5	-173.3	-28.6	35.3	0	0	0	116.2	I276 Y318	P273-I276 VanDerWaalsContact O-CG2 3.23Å; P273-I276 WeakPolarHBondContact O-CG2 3.38Å; P273-Y318 HydrophobicContact CB-CE1 4.33Å
274	E	83.5	Confident	72.4	Confident	32 Å²	32	39 Å²	39	15%	0.15	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-12	-178.6	-57.7	96.8	117.2	0	0	114.1	T272 M307 R394	T272-E274 VanDerWaalsContact CG2-OE2 3.26Å; T272-E274 WeakPolarHBondContact CG2-OE2 3.26Å; T272-E274 PolarHBondContact O-N 2.77Å; E274-M307 HydrophobicContact CB-CE 3.71Å; E274-M307 WeakPolarHBondContact O-CE 3.46Å; E274-R394 IonicContact OE1-CZ 3.7Å; E274-R394 IonicContact OE1-NH2 3.39Å; E274-R394 PolarHBondContact OE1-NH2 3.43Å
275	Y	89.1	Confident	73.2	Confident	21 Å²	21	39.2 Å²	39.2	8%	0.082	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	4.6	179	-56.9	-92.5	0	0	0	112.7	K232 P233 T272 V297 I298 I301	K232-Y275 HydrophobicContact CB-CD2 4.26Å; K232-Y275 HydrophobicContact CB-CE2 4.25Å; P233-Y275 VanDerWaalsContact CD-CZ 3.42Å; P233-Y275 WeakPolarHBondContact CD-OH 3.48Å; P233-Y275 HydrophobicContact CG-CE1 4.21Å; P233-Y275 WeakPolarHBondContact CG-OH 3.35Å; T272-Y275 HydrophobicContact CG2-CD2 3.7Å; T272-Y275 HydrophobicContact CG2-CE2 4.03Å; T272-Y275 PolarHBondContact O-N 2.95Å; Y275-V297 HydrophobicContact CD1-CB 3.92Å; Y275-V297 HydrophobicContact CD1-CG1 3.43Å; Y275-V297 VanDerWaalsContact CD1-CG1 3.43Å; Y275-V297 HydrophobicContact CE1-CB 4.46Å; Y275-V297 HydrophobicContact CE1-CG1 3.65Å; Y275-V297 HydrophobicContact CG-CG1 4.3Å; Y275-I298 HydrophobicContact CD1-CG1 4.29Å; Y275-I298 HydrophobicContact CE1-CG1 4.09Å; Y275-I301 HydrophobicContact CE1-CD1 3.77Å
276	I	87.7	Confident	73.9	Confident	10 Å²	10	35.9 Å²	35.9	5%	0.051	19%	0.186	C	C	.	.			trans	-76.3	136.1	-173	-157.7	171.2	0	0	0	111.5	T272 P273 I280 L281 W293 I321	T272-I276 PolarHBondContact O-N 2.69Å; P273-I276 VanDerWaalsContact O-CG2 3.23Å; P273-I276 WeakPolarHBondContact O-CG2 3.38Å; I276-I280 HydrophobicContact CD1-CB 4.27Å; I276-I280 HydrophobicContact CD1-CG2 3.83Å; I276-I280 HydrophobicContact CG1-CB 3.98Å; I276-I280 HydrophobicContact CG1-CD1 3.92Å; I276-I280 HydrophobicContact CG1-CG2 4.02Å; I276-L281 HydrophobicContact CD1-CD2 4.14Å; I276-L281 HydrophobicContact CG2-CD1 4.12Å; I276-L281 HydrophobicContact CG2-CD2 3.89Å; I276-L281 HydrophobicContact CG2-CG 3.99Å; I276-W293 PolarHBondContact O-NE1 3.26Å; I276-I321 HydrophobicContact CG2-CD1 4.23Å
277	A	89.9	Confident	74.9	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.008	19%	0.193	C	C	.	.			trans	-76.5	149.5	-179	0	0	0	0	0	112.6	E279 I280 V290 W293	A277-E279 VanDerWaalsContact C-N 3.31Å; A277-E279 HydrophobicContact CB-CG 4.45Å; A277-E279 WeakPolarHBondContact CB-OE2 3.32Å; A277-E279 PolarHBondContact O-N 3.1Å; A277-I280 HydrophobicContact CB-CD1 4.21Å; A277-I280 HydrophobicContact CB-CG1 4.31Å; A277-I280 PolarHBondContact O-N 3.04Å; A277-I280 VanDerWaalsContact O-N 3.13Å; A277-V290 HydrophobicContact CB-CB 4.05Å; A277-V290 HydrophobicContact CB-CG1 3.97Å; A277-W293 HydrophobicContact CB-CB 3.84Å; A277-W293 HydrophobicContact CB-CD2 4.48Å; A277-W293 HydrophobicContact CB-CG 3.81Å
278	P	91.1	Very high	76.7	Confident	5 Å²	5	31 Å²	31	3%	0.032	17%	0.169	C	C	.	.	H	α-helix	trans	-55.1	-41.5	-177.5	-26.8	35.2	0	0	0	113.6	I280 L281 V282 W293 I321 L322 V350	P278-I280 VanDerWaalsContact C-N 3.27Å; P278-I280 PolarHBondContact O-N 2.98Å; P278-L281 WeakPolarHBondContact O-CB 3.49Å; P278-L281 PolarHBondContact O-N 3.45Å; P278-V282 PolarHBondContact O-N 2.95Å; P278-V282 VanDerWaalsContact O-N 3.15Å; P278-W293 HydrophobicContact CG-CD2 4.37Å; P278-W293 HydrophobicContact CG-CE3 4.07Å; P278-W293 HydrophobicContact CG-CH2 3.54Å; P278-W293 HydrophobicContact CG-CZ2 3.86Å; P278-W293 HydrophobicContact CG-CZ3 3.65Å; P278-I321 HydrophobicContact CG-CG2 4.05Å; P278-L322 HydrophobicContact CB-CD2 4.36Å; P278-V350 HydrophobicContact CB-CG1 4.1Å; P278-V350 HydrophobicContact CG-CG1 4.16Å
279	E	87.6	Confident	78.4	Confident	8 Å²	8	27.5 Å²	27.5	4%	0.037	15%	0.148	C	C	.	.	H	α-helix	trans	-60.9	-33	-179.2	61.1	-87.5	-154.4	0	0	113.1	A277 V282 R283 K284 V290 R355	A277-E279 VanDerWaalsContact C-N 3.31Å; A277-E279 HydrophobicContact CB-CG 4.45Å; A277-E279 WeakPolarHBondContact CB-OE2 3.32Å; A277-E279 PolarHBondContact O-N 3.1Å; E279-V282 WeakPolarHBondContact O-CG2 3.12Å; E279-R283 PolarHBondContact O-N 2.86Å; E279-R283 VanDerWaalsContact O-N 3.11Å; E279-K284 HydrophobicContact CB-CB 4.4Å; E279-K284 PolarHBondContact O-N 2.84Å; E279-V290 HydrophobicContact CG-CG1 4.02Å; E279-V290 VanDerWaalsContact OE1-CG1 3.31Å; E279-V290 WeakPolarHBondContact OE1-CG1 3.47Å; E279-R355 IonicContact OE1-CZ 2.69Å; E279-R355 IonicContact OE1-NH1 3.1Å; E279-R355 PolarHBondContact OE1-NH1 3.17Å; E279-R355 IonicContact OE1-NH2 2.79Å; E279-R355 PolarHBondContact OE1-NH2 3.41Å; E279-R355 IonicContact OE2-CZ 3.75Å; E279-R355 IonicContact OE2-NH1 3.85Å; E279-R355 PolarHBondContact OE2-NH1 2.7Å; E279-R355 IonicContact OE2-NH2 3.02Å; E279-R355 PolarHBondContact OE2-NH2 3.06Å
280	I	84.8	Confident	80.1	Confident	7 Å²	7	25.9 Å²	25.9	4%	0.036	14%	0.138	C	C	.	.	H	α-helix	trans	-69.4	-36.6	175.9	-52.2	175.1	0	0	0	110.5	T269 I276 A277 P278 R283 Y286 V290	T269-I280 HydrophobicContact CG2-CG2 4.3Å; I276-I280 HydrophobicContact CD1-CB 4.27Å; I276-I280 HydrophobicContact CD1-CG2 3.83Å; I276-I280 HydrophobicContact CG1-CB 3.98Å; I276-I280 HydrophobicContact CG1-CD1 3.92Å; I276-I280 HydrophobicContact CG1-CG2 4.02Å; A277-I280 HydrophobicContact CB-CD1 4.21Å; A277-I280 HydrophobicContact CB-CG1 4.31Å; A277-I280 PolarHBondContact O-N 3.04Å; A277-I280 VanDerWaalsContact O-N 3.13Å; P278-I280 VanDerWaalsContact C-N 3.27Å; P278-I280 PolarHBondContact O-N 2.98Å; I280-R283 PolarHBondContact O-N 3.49Å; I280-Y286 HydrophobicContact CG1-CD1 3.81Å; I280-Y286 HydrophobicContact CG1-CE1 3.99Å; I280-Y286 HydrophobicContact CG1-CG 4.13Å; I280-Y286 HydrophobicContact CG2-CE1 4.32Å; I280-V290 HydrophobicContact CD1-CB 4.01Å; I280-V290 HydrophobicContact CD1-CG1 3.77Å; I280-V290 HydrophobicContact CG1-CG1 3.81Å
281	L	83	Confident	81.8	Confident	2 Å²	2	25.6 Å²	25.6	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-68.6	-43.1	178.6	-66.6	176.6	0	0	0	111.9	I276 P278 R283 Y318 I321 L322 L423	I276-L281 HydrophobicContact CD1-CD2 4.14Å; I276-L281 HydrophobicContact CG2-CD1 4.12Å; I276-L281 HydrophobicContact CG2-CD2 3.89Å; I276-L281 HydrophobicContact CG2-CG 3.99Å; P278-L281 WeakPolarHBondContact O-CB 3.49Å; P278-L281 PolarHBondContact O-N 3.45Å; L281-R283 PolarHBondContact O-N 3.29Å; L281-Y318 HydrophobicContact CD1-CD1 3.78Å; L281-Y318 HydrophobicContact CD1-CG 4.19Å; L281-Y318 HydrophobicContact CD2-CD1 3.71Å; L281-Y318 HydrophobicContact CD2-CE1 3.77Å; L281-Y318 HydrophobicContact CD2-CG 4.16Å; L281-Y318 HydrophobicContact CG-CD1 4.43Å; L281-I321 HydrophobicContact CD1-CB 4.06Å; L281-I321 HydrophobicContact CD1-CD1 4.48Å; L281-I321 HydrophobicContact CD1-CG2 3.61Å; L281-L322 HydrophobicContact CB-CD2 3.91Å; L281-L322 HydrophobicContact CB-CG 4.42Å; L281-L322 HydrophobicContact CD1-CD2 4.35Å; L281-L322 HydrophobicContact CD1-CG 4.18Å; L281-L423 HydrophobicContact CB-CD1 4.36Å; L281-L423 HydrophobicContact CD2-CD1 4.08Å; L281-L423 WeakPolarHBondContact O-CD1 3.42Å
282	V	80.1	Confident	83.6	Confident	13 Å²	13	24.8 Å²	24.8	8%	0.079	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-1.3	173	-64.4	0	0	0	0	113.7	P278 E279 K284 L322 N427 Y430	P278-V282 PolarHBondContact O-N 2.95Å; P278-V282 VanDerWaalsContact O-N 3.15Å; E279-V282 WeakPolarHBondContact O-CG2 3.12Å; V282-K284 HydrophobicContact CG2-CB 3.97Å; V282-K284 HydrophobicContact CG2-CD 4.02Å; V282-K284 HydrophobicContact CG2-CG 3.71Å; V282-K284 PolarHBondContact O-N 2.78Å; V282-K284 VanDerWaalsContact O-N 3.09Å; V282-L322 HydrophobicContact CG1-CD2 3.6Å; V282-N427 VanDerWaalsContact CA-OD1 3.27Å; V282-N427 WeakPolarHBondContact CA-OD1 3.25Å; V282-N427 VanDerWaalsContact CB-OD1 3.22Å; V282-N427 WeakPolarHBondContact CB-OD1 3.23Å; V282-N427 WeakPolarHBondContact CG1-OD1 3.44Å; V282-N427 PolarHBondContact O-ND2 3.16Å; V282-N427 PolarHBondContact O-OD1 3.42Å; V282-Y430 HydrophobicContact CG1-CD1 3.99Å; V282-Y430 HydrophobicContact CG1-CE1 4.21Å
283	R	70.6	Confident	84.9	Confident	72 Å²	72	23.3 Å²	23.3	27%	0.272	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	26.3	-175.1	-48.3	-175.3	-170.2	-161.6	1.2	113.6	T269 E279 I280 L281 E420	T269-R283 HydrophobicContact CG2-CG 4.39Å; E279-R283 PolarHBondContact O-N 2.86Å; E279-R283 VanDerWaalsContact O-N 3.11Å; I280-R283 PolarHBondContact O-N 3.49Å; L281-R283 PolarHBondContact O-N 3.29Å; R283-E420 IonicContact CZ-OE1 2.95Å; R283-E420 IonicContact NH1-OE1 3.98Å; R283-E420 PolarHBondContact NH1-OE1 3.26Å; R283-E420 PolarHBondContact NH2-O 2.9Å; R283-E420 IonicContact NH2-OE1 2.99Å
284	K	69.6	Low	85.9	Confident	131 Å²	131	21.8 Å²	21.8	57%	0.57	11%	0.109	S	C	*	.			trans	-61.9	138.1	163.9	-80.2	-175.8	177.3	-175.2	0	106.4	E279 V282 Y286	E279-K284 HydrophobicContact CB-CB 4.4Å; E279-K284 PolarHBondContact O-N 2.84Å; V282-K284 HydrophobicContact CG2-CB 3.97Å; V282-K284 HydrophobicContact CG2-CD 4.02Å; V282-K284 HydrophobicContact CG2-CG 3.71Å; V282-K284 PolarHBondContact O-N 2.78Å; V282-K284 VanDerWaalsContact O-N 3.09Å; K284-Y286 PolarHBondContact O-N 2.79Å
285	P	69.5	Low	86.6	Confident	53 Å²	53	20.3 Å²	20.3	34%	0.344	10%	0.102	S	C	.	.			trans	-65.2	129.7	178.5	-16.4	30.1	0	0	0	109.5	L265 M266 K267	L265-P285 HydrophobicContact CB-CB 3.42Å; L265-P285 VanDerWaalsContact CB-CB 3.42Å; L265-P285 HydrophobicContact CB-CG 4.37Å; L265-P285 HydrophobicContact CD1-CB 4.44Å; L265-P285 HydrophobicContact CD2-CB 3.97Å; L265-P285 HydrophobicContact CG-CB 4.1Å; M266-P285 CarbonylContact O-C 3.45Å; M266-P285 VanDerWaalsContact O-CA 3.22Å; M266-P285 WeakPolarHBondContact O-CA 3.15Å; K267-P285 HydrophobicContact CG-CB 4.08Å; K267-P285 HydrophobicContact CG-CG 4.24Å
286	Y	72.1	Confident	87	Confident	4 Å²	4	19.3 Å²	19.3	2%	0.016	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-113.5	156.5	-164.5	61.2	-98.6	0	0	0	114	R229 M266 T268 I280 K284 V290	R229-Y286 WeakPolarHBondContact CD-OH 3.46Å; R229-Y286 HydrophobicContact CG-CE2 4.36Å; R229-Y286 PolarHBondContact NH1-OH 3.19Å; M266-Y286 HydrophobicContact CB-CD1 4.27Å; M266-Y286 HydrophobicContact CB-CD2 3.76Å; M266-Y286 HydrophobicContact CB-CE1 4.01Å; M266-Y286 HydrophobicContact CB-CE2 3.46Å; M266-Y286 VanDerWaalsContact CB-CE2 3.46Å; M266-Y286 HydrophobicContact CB-CG 4.15Å; M266-Y286 WeakPolarHBondContact CB-O 3.43Å; M266-Y286 HydrophobicContact CG-CD2 4.41Å; M266-Y286 HydrophobicContact CG-CE2 4.12Å; M266-Y286 PolarHBondContact N-O 3.33Å; M266-Y286 WeakPolarHBondContact O-CD1 3.37Å; M266-Y286 VanDerWaalsContact O-CE1 3.3Å; M266-Y286 WeakPolarHBondContact O-CE1 3.36Å; M266-Y286 PolarHBondContact O-N 3.14Å; M266-Y286 HydrophobicContact SD-CD2 4.29Å; M266-Y286 HydrophobicContact SD-CE2 3.71Å; T268-Y286 VanDerWaalsContact O-CE1 3.32Å; T268-Y286 WeakPolarHBondContact O-CE1 3.48Å; T268-Y286 PolarHBondContact O-OH 3.15Å; I280-Y286 HydrophobicContact CG1-CD1 3.81Å; I280-Y286 HydrophobicContact CG1-CE1 3.99Å; I280-Y286 HydrophobicContact CG1-CG 4.13Å; I280-Y286 HydrophobicContact CG2-CE1 4.32Å; K284-Y286 PolarHBondContact O-N 2.79Å; Y286-V290 HydrophobicContact CD2-CB 4.45Å; Y286-V290 HydrophobicContact CD2-CG1 3.51Å; Y286-V290 HydrophobicContact CD2-CG2 4.07Å; Y286-V290 HydrophobicContact CE2-CG1 4.29Å; Y286-V290 HydrophobicContact CE2-CG2 4.27Å; Y286-V290 HydrophobicContact CG-CG1 3.78Å
287	T	81.5	Confident	87.5	Confident	45 Å²	45	18.8 Å²	18.8	28%	0.276	10%	0.096	S	C	.	.			trans	-102.5	-167.6	-179.8	69.9	0	0	0	0	111.1	A289	T287-A289 PolarHBondContact O-N 2.7Å; T287-A289 WeakPolarHBondContact OG1-CB 3.15Å; T287-A289 PolarHBondContact OG1-N 2.83Å
288	N	89.4	Confident	87.8	Confident	30 Å²	30	18.9 Å²	18.9	16%	0.16	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-7.9	171.2	58.2	-66.5	0	0	0	114.4	H222 T227 R258 V290 D291	H222-N288 PolarHBondContact CE1-O 2.83Å; H222-N288 PolarHBondContact ND1-ND2 2.79Å; T227-N288 HydrophobicContact CG2-CB 4.35Å; R258-N288 PolarHBondContact NH2-OD1 3.31Å; N288-V290 PolarHBondContact O-N 3.14Å; N288-V290 VanDerWaalsContact O-N 3.14Å; N288-D291 PolarHBondContact O-N 2.78Å
289	A	93.3	Very high	88.1	Confident	9 Å²	9	18.6 Å²	18.6	7%	0.074	9%	0.094	C	C	.	.	H	α-helix	trans	-61.2	-18.8	175.7	0	0	0	0	0	114	T287 D291 M292 W293 P352 R355	T287-A289 PolarHBondContact O-N 2.7Å; T287-A289 WeakPolarHBondContact OG1-CB 3.15Å; T287-A289 PolarHBondContact OG1-N 2.83Å; A289-D291 VanDerWaalsContact C-N 3.29Å; A289-D291 PolarHBondContact O-N 2.97Å; A289-M292 WeakPolarHBondContact O-CB 3.47Å; A289-M292 PolarHBondContact O-N 3.37Å; A289-W293 PolarHBondContact O-N 3.16Å; A289-P352 HydrophobicContact CB-CB 3.75Å; A289-R355 PolarHBondContact O-NH1 2.9Å
290	V	93.3	Very high	88.5	Confident	6 Å²	6	18.7 Å²	18.7	4%	0.036	9%	0.094	C	C	.	.	H	α-helix	trans	-63.9	-33.5	175.7	-58.8	0	0	0	0	112.9	T227 R229 A277 E279 I280 Y286 N288 M292 A294	T227-V290 HydrophobicContact CG2-CG2 3.63Å; R229-V290 HydrophobicContact CG-CG2 4.37Å; A277-V290 HydrophobicContact CB-CB 4.05Å; A277-V290 HydrophobicContact CB-CG1 3.97Å; E279-V290 HydrophobicContact CG-CG1 4.02Å; E279-V290 VanDerWaalsContact OE1-CG1 3.31Å; E279-V290 WeakPolarHBondContact OE1-CG1 3.47Å; I280-V290 HydrophobicContact CD1-CB 4.01Å; I280-V290 HydrophobicContact CD1-CG1 3.77Å; I280-V290 HydrophobicContact CG1-CG1 3.81Å; Y286-V290 HydrophobicContact CD2-CB 4.45Å; Y286-V290 HydrophobicContact CD2-CG1 3.51Å; Y286-V290 HydrophobicContact CD2-CG2 4.07Å; Y286-V290 HydrophobicContact CE2-CG1 4.29Å; Y286-V290 HydrophobicContact CE2-CG2 4.27Å; Y286-V290 HydrophobicContact CG-CG1 3.78Å; N288-V290 PolarHBondContact O-N 3.14Å; N288-V290 VanDerWaalsContact O-N 3.14Å; V290-M292 VanDerWaalsContact C-N 3.31Å; V290-A294 PolarHBondContact O-N 3.4Å
291	D	96	Very high	89	Confident	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-68	-36.6	175.8	-71.7	-17.3	0	0	0	110.3	V218 H222 T227 H228 R229 L231 N288 A289 A294 L295	V218-D291 HydrophobicContact CG1-CB 4.24Å; H222-D291 IonicContact CD2-OD2 2.61Å; H222-D291 IonicContact CE1-OD2 2.82Å; H222-D291 IonicContact NE2-OD2 3.21Å; H222-D291 PolarHBondContact NE2-OD2 3.12Å; T227-D291 WeakPolarHBondContact CA-OD2 3.26Å; T227-D291 WeakPolarHBondContact CG2-OD2 3.47Å; H228-D291 WeakPolarHBondContact CB-OD1 3.46Å; H228-D291 PolarHBondContact N-OD1 3.43Å; H228-D291 PolarHBondContact N-OD2 3.49Å; R229-D291 PolarHBondContact N-OD1 2.88Å; L231-D291 HydrophobicContact CD1-CB 3.66Å; N288-D291 PolarHBondContact O-N 2.78Å; A289-D291 VanDerWaalsContact C-N 3.29Å; A289-D291 PolarHBondContact O-N 2.97Å; D291-A294 PolarHBondContact O-N 2.91Å; D291-L295 WeakPolarHBondContact O-CG 3.49Å; D291-L295 PolarHBondContact O-N 3.49Å
292	M	98.1	Very high	89.5	Confident	1 Å²	1	18.3 Å²	18.3	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-65.9	-42.7	178.6	-57.9	-52.1	-54.5	0	0	111.5	L215 V218 A289 V290 A294 L295 G296 I347 L356 A358 A361	L215-M292 HydrophobicContact CD2-CE 3.71Å; V218-M292 HydrophobicContact CG1-SD 4.13Å; A289-M292 WeakPolarHBondContact O-CB 3.47Å; A289-M292 PolarHBondContact O-N 3.37Å; V290-M292 VanDerWaalsContact C-N 3.31Å; M292-A294 VanDerWaalsContact C-N 3.33Å; M292-A294 PolarHBondContact O-N 3.02Å; M292-L295 HydrophobicContact CE-CD1 4.28Å; M292-L295 CarbonylContact O-C 3.53Å; M292-L295 WeakPolarHBondContact O-CB 3.31Å; M292-L295 PolarHBondContact O-N 3.01Å; M292-L295 VanDerWaalsContact O-N 3.16Å; M292-L295 HydrophobicContact SD-CD1 4.32Å; M292-G296 PolarHBondContact O-N 3.47Å; M292-I347 HydrophobicContact CB-CG1 4.4Å; M292-I347 HydrophobicContact CE-CD1 3.9Å; M292-I347 HydrophobicContact CE-CG1 4.35Å; M292-I347 VanDerWaalsContact O-CG1 3.26Å; M292-I347 WeakPolarHBondContact O-CG1 3.19Å; M292-L356 WeakPolarHBondContact CB-O 3.46Å; M292-L356 WeakPolarHBondContact CE-O 3.43Å; M292-L356 VanDerWaalsContact CG-O 3.28Å; M292-L356 WeakPolarHBondContact CG-O 3.2Å; M292-A358 HydrophobicContact CE-CB 4.13Å; M292-A358 HydrophobicContact SD-CB 3.75Å; M292-A358 PolarHBondContact SD-N 3.47Å; M292-A358 VanDerWaalsContact SD-N 3.4Å; M292-A361 HydrophobicContact CE-CB 4.04Å
293	W	97.3	Very high	90.1	Very high	1 Å²	1	17.7 Å²	17.7	0%	0.004	9%	0.089	C	C	.	.	H	α-helix	trans	-57	-45.8	172.9	176.8	-87.1	0	0	0	112.1	I276 A277 P278 A289 L295 G296 V297 F309 I321 L348 V350	I276-W293 PolarHBondContact O-NE1 3.26Å; A277-W293 HydrophobicContact CB-CB 3.84Å; A277-W293 HydrophobicContact CB-CD2 4.48Å; A277-W293 HydrophobicContact CB-CG 3.81Å; P278-W293 HydrophobicContact CG-CD2 4.37Å; P278-W293 HydrophobicContact CG-CE3 4.07Å; P278-W293 HydrophobicContact CG-CH2 3.54Å; P278-W293 HydrophobicContact CG-CZ2 3.86Å; P278-W293 HydrophobicContact CG-CZ3 3.65Å; A289-W293 PolarHBondContact O-N 3.16Å; W293-L295 VanDerWaalsContact C-N 3.33Å; W293-L295 PolarHBondContact O-N 2.69Å; W293-G296 WeakPolarHBondContact O-CA 3.23Å; W293-G296 PolarHBondContact O-N 2.96Å; W293-V297 PolarHBondContact O-N 3.43Å; W293-F309 AromaticContact CH2-CE2 3.93Å; W293-F309 HydrophobicContact CH2-CE2 3.93Å; W293-F309 AromaticContact CH2-CZ 3.69Å; W293-F309 HydrophobicContact CH2-CZ 3.69Å; W293-F309 HydrophobicContact CZ2-CD2 4.2Å; W293-F309 AromaticContact CZ2-CE2 3.28Å; W293-F309 HydrophobicContact CZ2-CE2 3.28Å; W293-F309 AromaticContact CZ2-CZ 3.53Å; W293-F309 HydrophobicContact CZ2-CZ 3.53Å; W293-I321 HydrophobicContact CZ2-CG2 3.89Å; W293-L348 HydrophobicContact CD2-CD2 3.92Å; W293-L348 HydrophobicContact CE3-CD2 4.05Å; W293-L348 HydrophobicContact CG-CD2 4.4Å; W293-L348 HydrophobicContact CZ2-CD2 4.4Å; W293-L348 HydrophobicContact CZ3-CB 4.38Å; W293-L348 HydrophobicContact CZ3-CD2 4.36Å; W293-L348 VanDerWaalsContact CZ3-O 3.23Å; W293-L348 WeakPolarHBondContact CZ3-O 3.17Å; W293-L348 WeakPolarHBondContact O-CD2 3.48Å; W293-V350 HydrophobicContact CZ3-CG2 4.47Å
294	A	96.8	Very high	91.2	Very high	5 Å²	5	14.3 Å²	14.3	4%	0.041	8%	0.076	C	C	.	.	H	α-helix	trans	-62.7	-38.2	177.1	0	0	0	0	0	112.3	L231 V290 D291 M292 G296 V297 I298	L231-A294 HydrophobicContact CB-CB 3.87Å; V290-A294 PolarHBondContact O-N 3.4Å; D291-A294 PolarHBondContact O-N 2.91Å; M292-A294 VanDerWaalsContact C-N 3.33Å; M292-A294 PolarHBondContact O-N 3.02Å; A294-G296 VanDerWaalsContact C-N 3.32Å; A294-G296 PolarHBondContact O-N 3.32Å; A294-V297 PolarHBondContact O-N 3.41Å; A294-I298 WeakPolarHBondContact O-CD1 2.83Å; A294-I298 VanDerWaalsContact O-CG1 3.29Å; A294-I298 WeakPolarHBondContact O-CG1 3.48Å; A294-I298 PolarHBondContact O-N 2.82Å
295	L	97.8	Very high	92.2	Very high	1 Å²	1	8 Å²	8	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-64.3	-33.7	170.1	-67.5	-173.9	0	0	0	112.9	V214 L215 V218 L231 D291 M292 W293 I298 S299 I347	V214-L295 HydrophobicContact CB-CD2 4.5Å; V214-L295 HydrophobicContact CG1-CD1 4.42Å; V214-L295 HydrophobicContact CG1-CD2 3.42Å; V214-L295 VanDerWaalsContact CG1-CD2 3.42Å; L215-L295 HydrophobicContact CD2-CD1 3.6Å; L215-L295 HydrophobicContact CG-CD1 4.31Å; V218-L295 HydrophobicContact CB-CD1 4.3Å; V218-L295 HydrophobicContact CG1-CD1 4.28Å; V218-L295 HydrophobicContact CG2-CD1 4.13Å; L231-L295 HydrophobicContact CD1-CD2 3.96Å; L231-L295 HydrophobicContact CD1-CG 4.02Å; D291-L295 WeakPolarHBondContact O-CG 3.49Å; D291-L295 PolarHBondContact O-N 3.49Å; M292-L295 HydrophobicContact CE-CD1 4.28Å; M292-L295 CarbonylContact O-C 3.53Å; M292-L295 WeakPolarHBondContact O-CB 3.31Å; M292-L295 PolarHBondContact O-N 3.01Å; M292-L295 VanDerWaalsContact O-N 3.16Å; M292-L295 HydrophobicContact SD-CD1 4.32Å; W293-L295 VanDerWaalsContact C-N 3.33Å; W293-L295 PolarHBondContact O-N 2.69Å; L295-I298 HydrophobicContact CD2-CD1 4.32Å; L295-I298 PolarHBondContact O-N 2.78Å; L295-S299 WeakPolarHBondContact O-CB 3.46Å; L295-S299 PolarHBondContact O-N 3.15Å; L295-S299 PolarHBondContact O-OG 3.41Å; L295-I347 HydrophobicContact CB-CD1 3.98Å
296	G	97.9	Very high	93.3	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-62.2	-45	171.8	0	0	0	0	0	112.8	M292 W293 A294 I298 S299 Y300 I347	M292-G296 PolarHBondContact O-N 3.47Å; W293-G296 WeakPolarHBondContact O-CA 3.23Å; W293-G296 PolarHBondContact O-N 2.96Å; A294-G296 VanDerWaalsContact C-N 3.32Å; A294-G296 PolarHBondContact O-N 3.32Å; G296-I298 PolarHBondContact O-N 3.18Å; G296-S299 WeakPolarHBondContact O-CB 3.35Å; G296-S299 PolarHBondContact O-N 3.01Å; G296-Y300 PolarHBondContact O-N 2.99Å; G296-I347 VanDerWaalsContact CA-CG2 3.46Å
297	V	97.3	Very high	94.2	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-61.8	-45	174.6	177.1	0	0	0	0	110.5	Y275 W293 A294 S299 Y300 I301 M307 P308 F309 L348	Y275-V297 HydrophobicContact CD1-CB 3.92Å; Y275-V297 HydrophobicContact CD1-CG1 3.43Å; Y275-V297 VanDerWaalsContact CD1-CG1 3.43Å; Y275-V297 HydrophobicContact CE1-CB 4.46Å; Y275-V297 HydrophobicContact CE1-CG1 3.65Å; Y275-V297 HydrophobicContact CG-CG1 4.3Å; W293-V297 PolarHBondContact O-N 3.43Å; A294-V297 PolarHBondContact O-N 3.41Å; V297-S299 VanDerWaalsContact C-N 3.33Å; V297-S299 PolarHBondContact O-N 3.05Å; V297-Y300 PolarHBondContact O-N 3Å; V297-I301 HydrophobicContact CG1-CD1 3.95Å; V297-I301 WeakPolarHBondContact O-CD1 3.29Å; V297-I301 VanDerWaalsContact O-CG1 3.24Å; V297-I301 WeakPolarHBondContact O-CG1 3.49Å; V297-I301 PolarHBondContact O-N 2.99Å; V297-I301 VanDerWaalsContact O-N 3.12Å; V297-M307 HydrophobicContact CG1-CE 3.72Å; V297-P308 HydrophobicContact CB-CG 4.3Å; V297-P308 HydrophobicContact CG1-CG 3.96Å; V297-P308 HydrophobicContact CG2-CG 4.09Å; V297-F309 HydrophobicContact CG2-CD2 4.4Å; V297-F309 HydrophobicContact CG2-CE2 4.28Å; V297-L348 HydrophobicContact CG2-CD2 3.88Å
298	I	96.4	Very high	94.8	Very high	2 Å²	2	6.5 Å²	6.5	1%	0.01	4%	0.038	C	C	.	.	H	α-helix	trans	-62.1	-39.1	175.9	-68.1	162.2	0	0	0	111.5	L192 L231 P233 L236 Y275 A294 L295 G296 I301 L302	L192-I298 HydrophobicContact CD2-CG2 4.29Å; L231-I298 HydrophobicContact CB-CD1 4.48Å; P233-I298 HydrophobicContact CG-CG1 4.43Å; L236-I298 HydrophobicContact CD1-CD1 4.05Å; L236-I298 HydrophobicContact CD1-CG2 4.26Å; Y275-I298 HydrophobicContact CD1-CG1 4.29Å; Y275-I298 HydrophobicContact CE1-CG1 4.09Å; A294-I298 WeakPolarHBondContact O-CD1 2.83Å; A294-I298 VanDerWaalsContact O-CG1 3.29Å; A294-I298 WeakPolarHBondContact O-CG1 3.48Å; A294-I298 PolarHBondContact O-N 2.82Å; L295-I298 HydrophobicContact CD2-CD1 4.32Å; L295-I298 PolarHBondContact O-N 2.78Å; G296-I298 PolarHBondContact O-N 3.18Å; I298-I301 PolarHBondContact O-N 3.23Å; I298-L302 HydrophobicContact CG2-CD1 3.88Å; I298-L302 HydrophobicContact CG2-CG 4.35Å; I298-L302 WeakPolarHBondContact O-CB 3.5Å; I298-L302 VanDerWaalsContact O-CG 3.3Å; I298-L302 WeakPolarHBondContact O-CG 3.34Å; I298-L302 PolarHBondContact O-N 3.44Å
299	S	97.1	Very high	95	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-65.2	-43.1	177.9	-57.5	0	0	0	0	112.3	L211 L295 G296 V297 I301 L302 L303	L211-S299 WeakPolarHBondContact CD1-OG 3.18Å; L211-S299 VanDerWaalsContact CD2-OG 3.31Å; L211-S299 WeakPolarHBondContact CD2-OG 3.38Å; L295-S299 WeakPolarHBondContact O-CB 3.46Å; L295-S299 PolarHBondContact O-N 3.15Å; L295-S299 PolarHBondContact O-OG 3.41Å; G296-S299 WeakPolarHBondContact O-CB 3.35Å; G296-S299 PolarHBondContact O-N 3.01Å; V297-S299 VanDerWaalsContact C-N 3.33Å; V297-S299 PolarHBondContact O-N 3.05Å; S299-I301 PolarHBondContact O-N 3.09Å; S299-L302 PolarHBondContact O-N 3.15Å; S299-L303 WeakPolarHBondContact O-CG 3.39Å; S299-L303 PolarHBondContact O-N 3.22Å; S299-L303 VanDerWaalsContact O-N 3.16Å
300	Y	97.1	Very high	94.8	Very high	10 Å²	10	9.2 Å²	9.2	4%	0.039	5%	0.048	C	C	.	.	H	α-helix	trans	-60	-45.3	174.2	-178.1	-74.7	0	0	0	111.3	G296 V297 L303 S304 T306 M307 P308 Y326 S327 F328 W333 V344	G296-Y300 PolarHBondContact O-N 2.99Å; V297-Y300 PolarHBondContact O-N 3Å; Y300-L303 PolarHBondContact O-N 2.95Å; Y300-S304 PolarHBondContact O-N 2.97Å; Y300-S304 PolarHBondContact O-OG 3.5Å; Y300-T306 VanDerWaalsContact CD1-O 3.3Å; Y300-T306 WeakPolarHBondContact CD1-O 3.5Å; Y300-T306 WeakPolarHBondContact CE1-O 3.4Å; Y300-M307 VanDerWaalsContact CE1-O 3.31Å; Y300-M307 WeakPolarHBondContact CE1-O 3.29Å; Y300-P308 HydrophobicContact CD1-CB 3.97Å; Y300-P308 VanDerWaalsContact CD1-CD 3.44Å; Y300-P308 HydrophobicContact CD1-CG 4.14Å; Y300-P308 HydrophobicContact CD2-CB 3.83Å; Y300-P308 HydrophobicContact CE1-CB 4.19Å; Y300-P308 VanDerWaalsContact CE1-N 3.32Å; Y300-P308 HydrophobicContact CE2-CB 4.06Å; Y300-P308 HydrophobicContact CG-CB 3.79Å; Y300-P308 HydrophobicContact CG-CG 4.06Å; Y300-Y326 HydrophobicContact CD2-CD2 4.13Å; Y300-Y326 AromaticContact CE2-CD2 3.9Å; Y300-Y326 HydrophobicContact CE2-CD2 3.9Å; Y300-S327 PolarHBondContact OH-O 3.28Å; Y300-F328 HydrophobicContact CD2-CD1 4.44Å; Y300-F328 HydrophobicContact CD2-CE1 4.1Å; Y300-F328 HydrophobicContact CE2-CD1 4.12Å; Y300-F328 HydrophobicContact CE2-CE1 4.19Å; Y300-W333 AromaticContact CD1-CZ2 3.96Å; Y300-W333 HydrophobicContact CD1-CZ2 3.96Å; Y300-W333 AromaticContact CD2-CH2 3.8Å; Y300-W333 HydrophobicContact CD2-CH2 3.8Å; Y300-W333 AromaticContact CD2-CZ2 3.49Å; Y300-W333 HydrophobicContact CD2-CZ2 3.49Å; Y300-W333 VanDerWaalsContact CD2-CZ2 3.49Å; Y300-W333 AromaticContact CE1-CZ2 3.81Å; Y300-W333 HydrophobicContact CE1-CZ2 3.81Å; Y300-W333 AromaticContact CE2-CE2 3.95Å; Y300-W333 HydrophobicContact CE2-CH2 4.04Å; Y300-W333 AromaticContact CE2-CZ2 3.33Å; Y300-W333 HydrophobicContact CE2-CZ2 3.33Å; Y300-W333 HydrophobicContact CG-CH2 4.14Å; Y300-W333 AromaticContact CG-CZ2 3.81Å; Y300-W333 HydrophobicContact CG-CZ2 3.81Å; Y300-W333 AromaticContact CZ-CE2 3.92Å; Y300-W333 AromaticContact CZ-CZ2 3.51Å; Y300-W333 AromaticContact CZ-NE1 3.82Å; Y300-V344 HydrophobicContact CD2-CG1 4.17Å
301	I	94.6	Very high	94.5	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-68.5	-37.7	178.9	-53.1	153.3	0	0	0	111	F193 Y275 V297 I298 S299 L303 S304 G305 T306 M307 L387	F193-I301 HydrophobicContact CD2-CG2 4.33Å; F193-I301 HydrophobicContact CE1-CB 4.43Å; F193-I301 HydrophobicContact CE1-CG2 3.93Å; F193-I301 HydrophobicContact CE2-CB 4.03Å; F193-I301 HydrophobicContact CE2-CD1 4.32Å; F193-I301 HydrophobicContact CE2-CG2 3.46Å; F193-I301 VanDerWaalsContact CE2-CG2 3.46Å; F193-I301 HydrophobicContact CZ-CB 3.6Å; F193-I301 HydrophobicContact CZ-CG2 3.29Å; Y275-I301 HydrophobicContact CE1-CD1 3.77Å; V297-I301 HydrophobicContact CG1-CD1 3.95Å; V297-I301 WeakPolarHBondContact O-CD1 3.29Å; V297-I301 VanDerWaalsContact O-CG1 3.24Å; V297-I301 WeakPolarHBondContact O-CG1 3.49Å; V297-I301 PolarHBondContact O-N 2.99Å; V297-I301 VanDerWaalsContact O-N 3.12Å; I298-I301 PolarHBondContact O-N 3.23Å; S299-I301 PolarHBondContact O-N 3.09Å; I301-L303 PolarHBondContact O-N 3.05Å; I301-S304 PolarHBondContact O-N 3.45Å; I301-G305 WeakPolarHBondContact O-CA 3.39Å; I301-G305 PolarHBondContact O-N 2.9Å; I301-T306 WeakPolarHBondContact CA-O 3.48Å; I301-T306 VanDerWaalsContact CG1-O 3.22Å; I301-T306 WeakPolarHBondContact CG1-O 3.29Å; I301-M307 HydrophobicContact CD1-CE 4.3Å; I301-M307 HydrophobicContact CD1-SD 3.53Å; I301-M307 VanDerWaalsContact CD1-SD 3.53Å; I301-M307 HydrophobicContact CG1-SD 3.87Å; I301-L387 HydrophobicContact CG2-CD2 3.98Å
302	L	93.4	Very high	94	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.3	-31.4	174.6	-80.9	165.9	0	0	0	113	L192 F193 I196 F202 A207 V210 L211 I298 S299 I383	L192-L302 HydrophobicContact CD1-CD2 4.16Å; L192-L302 HydrophobicContact CD2-CD1 4.49Å; L192-L302 HydrophobicContact CD2-CD2 4.16Å; L192-L302 HydrophobicContact CG-CD2 4.27Å; F193-L302 HydrophobicContact CE1-CD2 3.74Å; F193-L302 HydrophobicContact CE1-CG 3.95Å; F193-L302 HydrophobicContact CZ-CD2 4.49Å; F193-L302 HydrophobicContact CZ-CG 4.28Å; I196-L302 HydrophobicContact CD1-CD2 3.43Å; I196-L302 VanDerWaalsContact CD1-CD2 3.43Å; F202-L302 HydrophobicContact CE1-CD2 4.44Å; F202-L302 WeakPolarHBondContact CE1-O 3.47Å; F202-L302 HydrophobicContact CZ-CD2 3.92Å; A207-L302 HydrophobicContact CB-CB 4.4Å; V210-L302 HydrophobicContact CG1-CD1 4.02Å; V210-L302 HydrophobicContact CG1-CD2 4.43Å; L211-L302 HydrophobicContact CD1-CD1 4.2Å; L211-L302 HydrophobicContact CD2-CD1 3.8Å; L211-L302 HydrophobicContact CG-CD1 3.85Å; I298-L302 HydrophobicContact CG2-CD1 3.88Å; I298-L302 HydrophobicContact CG2-CG 4.35Å; I298-L302 WeakPolarHBondContact O-CB 3.5Å; I298-L302 VanDerWaalsContact O-CG 3.3Å; I298-L302 WeakPolarHBondContact O-CG 3.34Å; I298-L302 PolarHBondContact O-N 3.44Å; S299-L302 PolarHBondContact O-N 3.15Å; L302-I383 WeakPolarHBondContact O-CD1 3.46Å
303	L	93.6	Very high	93.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-84.8	-24.2	179.4	-72.1	167.5	0	0	0	113.8	E204 S299 Y300 I301 P332 W333 V336 A340 V344 W366	E204-L303 HydrophobicContact CG-CD2 4.01Å; S299-L303 WeakPolarHBondContact O-CG 3.39Å; S299-L303 PolarHBondContact O-N 3.22Å; S299-L303 VanDerWaalsContact O-N 3.16Å; Y300-L303 PolarHBondContact O-N 2.95Å; I301-L303 PolarHBondContact O-N 3.05Å; L303-P332 WeakPolarHBondContact O-CG 3.34Å; L303-W333 HydrophobicContact CB-CH2 3.72Å; L303-W333 HydrophobicContact CB-CZ3 3.94Å; L303-W333 HydrophobicContact CD1-CH2 4.07Å; L303-W333 HydrophobicContact CD1-CZ3 4Å; L303-V336 HydrophobicContact CD1-CG1 4.33Å; L303-V336 HydrophobicContact CD2-CG1 4.02Å; L303-A340 HydrophobicContact CD1-CB 3.91Å; L303-A340 HydrophobicContact CD2-CB 4.2Å; L303-V344 HydrophobicContact CD1-CG2 3.93Å; L303-W366 HydrophobicContact CD1-CH2 4.29Å; L303-W366 HydrophobicContact CD1-CZ2 4.43Å; L303-W366 HydrophobicContact CD2-CH2 4.23Å; L303-W366 HydrophobicContact CD2-CZ2 3.83Å; L303-W366 HydrophobicContact CG-CH2 4.43Å; L303-W366 HydrophobicContact CG-CZ2 4.49Å
304	S	93.2	Very high	92.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-132.5	-22.4	-164.6	65.3	0	0	0	0	116.7	Y300 I301 T306 W333 N386	Y300-S304 PolarHBondContact O-N 2.97Å; Y300-S304 PolarHBondContact O-OG 3.5Å; I301-S304 PolarHBondContact O-N 3.45Å; S304-T306 PolarHBondContact O-N 3.32Å; S304-T306 PolarHBondContact OG-N 2.91Å; S304-T306 VanDerWaalsContact OG-N 3.15Å; S304-T306 PolarHBondContact OG-O 3.05Å; S304-T306 PolarHBondContact OG-OG1 2.92Å; S304-W333 VanDerWaalsContact CB-CZ2 3.49Å; S304-N386 PolarHBondContact O-ND2 3.1Å
305	G	91.2	Very high	92	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	68.8	4.8	-167.7	0	0	0	0	0	115	I301 N386 L387	I301-G305 WeakPolarHBondContact O-CA 3.39Å; I301-G305 PolarHBondContact O-N 2.9Å; G305-N386 CarbonylContact O-C 3.51Å; G305-N386 WeakPolarHBondContact O-CB 3.3Å; G305-L387 PolarHBondContact O-N 3.32Å
306	T	91.1	Very high	91.5	Very high	47 Å²	47	35.4 Å²	35.4	29%	0.288	17%	0.17	S	C	.	.	S	Bend	trans	-113	166.7	176.7	60.7	0	0	0	0	111.2	Y300 I301 S304 N386	Y300-T306 VanDerWaalsContact CD1-O 3.3Å; Y300-T306 WeakPolarHBondContact CD1-O 3.5Å; Y300-T306 WeakPolarHBondContact CE1-O 3.4Å; I301-T306 WeakPolarHBondContact CA-O 3.48Å; I301-T306 VanDerWaalsContact CG1-O 3.22Å; I301-T306 WeakPolarHBondContact CG1-O 3.29Å; S304-T306 PolarHBondContact O-N 3.32Å; S304-T306 PolarHBondContact OG-N 2.91Å; S304-T306 VanDerWaalsContact OG-N 3.15Å; S304-T306 PolarHBondContact OG-O 3.05Å; S304-T306 PolarHBondContact OG-OG1 2.92Å; T306-N386 HydrophobicContact CG2-CB 3.79Å
307	M	91.7	Very high	91	Very high	13 Å²	13	35.9 Å²	35.9	6%	0.064	17%	0.172	C	C	.	.			trans	-86.1	148.6	173.6	-68	-63.3	-59.8	0	0	111.5	E274 V297 Y300 I301 F309 E310 R390	E274-M307 HydrophobicContact CB-CE 3.71Å; E274-M307 WeakPolarHBondContact O-CE 3.46Å; V297-M307 HydrophobicContact CG1-CE 3.72Å; Y300-M307 VanDerWaalsContact CE1-O 3.31Å; Y300-M307 WeakPolarHBondContact CE1-O 3.29Å; I301-M307 HydrophobicContact CD1-CE 4.3Å; I301-M307 HydrophobicContact CD1-SD 3.53Å; I301-M307 VanDerWaalsContact CD1-SD 3.53Å; I301-M307 HydrophobicContact CG1-SD 3.87Å; M307-F309 VanDerWaalsContact C-N 3.35Å; M307-E310 HydrophobicContact CB-CB 3.96Å; M307-E310 HydrophobicContact CG-CB 4.38Å; M307-R390 PolarHBondContact SD-NH1 3.1Å; M307-R390 PolarHBondContact SD-NH2 3.01Å
308	P	94.8	Very high	90.6	Very high	10 Å²	10	36.1 Å²	36.1	7%	0.065	17%	0.173	C	C	.	.	S	Bend	trans	-71.8	-31.5	165.4	27.6	-31	0	0	0	111.9	V297 Y300 Y326 L348	V297-P308 HydrophobicContact CB-CG 4.3Å; V297-P308 HydrophobicContact CG1-CG 3.96Å; V297-P308 HydrophobicContact CG2-CG 4.09Å; Y300-P308 HydrophobicContact CD1-CB 3.97Å; Y300-P308 VanDerWaalsContact CD1-CD 3.44Å; Y300-P308 HydrophobicContact CD1-CG 4.14Å; Y300-P308 HydrophobicContact CD2-CB 3.83Å; Y300-P308 HydrophobicContact CE1-CB 4.19Å; Y300-P308 VanDerWaalsContact CE1-N 3.32Å; Y300-P308 HydrophobicContact CE2-CB 4.06Å; Y300-P308 HydrophobicContact CG-CB 3.79Å; Y300-P308 HydrophobicContact CG-CG 4.06Å; P308-Y326 HydrophobicContact CB-CD2 4.46Å; P308-Y326 HydrophobicContact CB-CG 4Å; P308-Y326 WeakPolarHBondContact O-CB 3.44Å; P308-L348 HydrophobicContact CB-CD1 4.23Å; P308-L348 HydrophobicContact CG-CD1 4.36Å
309	F	93.6	Very high	90.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-131	116.3	-178.8	-44.5	-69.6	0	0	0	110	W293 V297 M307 L317 Q320 I321 Y326 L348	W293-F309 AromaticContact CH2-CE2 3.93Å; W293-F309 HydrophobicContact CH2-CE2 3.93Å; W293-F309 AromaticContact CH2-CZ 3.69Å; W293-F309 HydrophobicContact CH2-CZ 3.69Å; W293-F309 HydrophobicContact CZ2-CD2 4.2Å; W293-F309 AromaticContact CZ2-CE2 3.28Å; W293-F309 HydrophobicContact CZ2-CE2 3.28Å; W293-F309 AromaticContact CZ2-CZ 3.53Å; W293-F309 HydrophobicContact CZ2-CZ 3.53Å; V297-F309 HydrophobicContact CG2-CD2 4.4Å; V297-F309 HydrophobicContact CG2-CE2 4.28Å; M307-F309 VanDerWaalsContact C-N 3.35Å; F309-L317 HydrophobicContact CB-CD1 3.73Å; F309-Q320 HydrophobicContact CD1-CB 3.95Å; F309-I321 HydrophobicContact CB-CD1 4.44Å; F309-I321 HydrophobicContact CB-CG1 3.84Å; F309-I321 HydrophobicContact CD1-CG1 4.2Å; F309-I321 HydrophobicContact CD2-CG1 3.88Å; F309-I321 HydrophobicContact CG-CG1 3.7Å; F309-Y326 AromaticContact CE1-CD1 3.7Å; F309-Y326 HydrophobicContact CE1-CD1 3.7Å; F309-Y326 HydrophobicContact CE1-CG 4.35Å; F309-Y326 AromaticContact CZ-CD1 3.62Å; F309-Y326 HydrophobicContact CZ-CD1 3.62Å; F309-Y326 HydrophobicContact CZ-CE1 4.29Å; F309-Y326 HydrophobicContact CZ-CG 4.46Å; F309-L348 HydrophobicContact CE2-CD2 4.43Å
310	E	87.9	Confident	90	Very high	96 Å²	96	44.7 Å²	44.7	45%	0.449	21%	0.207	S	C	.	.			trans	-153.5	131.4	178.1	-161.8	147.9	-122.8	0	0	109.8	M307 Q320 R390	M307-E310 HydrophobicContact CB-CB 3.96Å; M307-E310 HydrophobicContact CG-CB 4.38Å; E310-Q320 VanDerWaalsContact N-OE1 3.12Å; E310-Q320 PolarHBondContact O-NE2 3.36Å; E310-R390 IonicContact OE1-CZ 2.93Å; E310-R390 IonicContact OE1-NE 3.71Å; E310-R390 PolarHBondContact OE1-NE 3.28Å; E310-R390 IonicContact OE1-NH2 2.81Å; E310-R390 PolarHBondContact OE1-NH2 3.33Å; E310-R390 IonicContact OE2-NE 2.79Å; E310-R390 PolarHBondContact OE2-NE 3.33Å
311	D	87.6	Confident	89.8	Confident	39 Å²	39	44.2 Å²	44.2	21%	0.209	21%	0.205	C	C	.	.			trans	-165.1	133	175.7	-164.8	-51.3	0	0	0	109.1	N313 R316 L317	D311-N313 PolarHBondContact O-N 3.15Å; D311-N313 WeakPolarHBondContact OD1-CB 3.45Å; D311-N313 PolarHBondContact OD1-N 3.12Å; D311-R316 HydrophobicContact CB-CB 4.23Å; D311-R316 VanDerWaalsContact CG-NE 3.29Å; D311-R316 IonicContact OD1-CZ 2.69Å; D311-R316 VanDerWaalsContact OD1-CZ 3.26Å; D311-R316 IonicContact OD1-NE 3.89Å; D311-R316 PolarHBondContact OD1-NE 3.4Å; D311-R316 IonicContact OD1-NH2 3Å; D311-R316 PolarHBondContact OD1-NH2 2.93Å; D311-R316 WeakPolarHBondContact OD2-CB 3.36Å; D311-R316 WeakPolarHBondContact OD2-CD 3.48Å; D311-R316 IonicContact OD2-CZ 3.69Å; D311-R316 IonicContact OD2-NE 3.26Å; D311-R316 PolarHBondContact OD2-NE 2.99Å; D311-R316 IonicContact OD2-NH2 2.79Å; D311-L317 HydrophobicContact CB-CB 4.14Å
312	D	85.4	Confident	89.7	Confident	169 Å²	169	44.4 Å²	44.4	90%	0.904	21%	0.206	S	C	*	.	S	Bend	trans	-57.4	-30.7	175.7	-64.8	-57	0	0	0	112.6	R314	D312-R314 PolarHBondContact O-N 2.84Å
313	N	86.3	Confident	89.6	Confident	72 Å²	72	50 Å²	50	39%	0.385	23%	0.23	S	C	.	.	S	Bend	trans	-89.2	105.7	174.7	-169.8	-45.1	0	0	0	110.3	D311 M315 R316 L317	D311-N313 PolarHBondContact O-N 3.15Å; D311-N313 WeakPolarHBondContact OD1-CB 3.45Å; D311-N313 PolarHBondContact OD1-N 3.12Å; N313-M315 PolarHBondContact O-N 3.02Å; N313-M315 WeakPolarHBondContact OD1-CB 3.26Å; N313-M315 PolarHBondContact OD1-N 2.94Å; N313-R316 HydrophobicContact CB-CB 4.31Å; N313-R316 HydrophobicContact CB-CG 4.14Å; N313-R316 WeakPolarHBondContact O-CA 3.38Å; N313-R316 WeakPolarHBondContact O-CB 3.42Å; N313-R316 PolarHBondContact O-N 3.47Å; N313-L317 PolarHBondContact O-N 2.89Å
314	R	81.6	Confident	89.6	Confident	107 Å²	107	50.7 Å²	50.7	40%	0.404	24%	0.238	S	C	.	.	H	α-helix	trans	-49.6	-32.2	177.4	-67.4	177.4	64.5	152.8	-1	114.5	D312 Y318	D312-R314 PolarHBondContact O-N 2.84Å; R314-Y318 HydrophobicContact CB-CE2 4.28Å; R314-Y318 PolarHBondContact NE-OH 2.78Å; R314-Y318 PolarHBondContact NH2-OH 2.7Å; R314-Y318 WeakPolarHBondContact O-CB 3.42Å; R314-Y318 WeakPolarHBondContact O-CD2 3.44Å; R314-Y318 PolarHBondContact O-N 2.85Å
315	M	81.8	Confident	89.5	Confident	58 Å²	58	58.2 Å²	58.2	29%	0.286	27%	0.271	S	S	.	.	H	α-helix	trans	-75.4	-27	178.1	-63	-69.6	-78.9	0	0	112.5	N313 R319 L426	N313-M315 PolarHBondContact O-N 3.02Å; N313-M315 WeakPolarHBondContact OD1-CB 3.26Å; N313-M315 PolarHBondContact OD1-N 2.94Å; M315-R319 WeakPolarHBondContact O-CD 3.48Å; M315-R319 WeakPolarHBondContact O-CG 3.5Å; M315-R319 PolarHBondContact O-N 3.27Å; M315-L426 HydrophobicContact CE-CB 4Å; M315-L426 HydrophobicContact CE-CD1 4.2Å; M315-L426 HydrophobicContact CE-CG 4.46Å; M315-L426 HydrophobicContact SD-CD2 4.41Å
316	R	87.8	Confident	89.7	Confident	120 Å²	120	60.4 Å²	60.4	45%	0.453	28%	0.279	S	S	.	.	H	α-helix	trans	-78	-43.2	170.3	-64.4	-168.3	-57.4	-127	-1.2	110.9	D311 N313 Y318 R319 Q320	D311-R316 HydrophobicContact CB-CB 4.23Å; D311-R316 VanDerWaalsContact CG-NE 3.29Å; D311-R316 IonicContact OD1-CZ 2.69Å; D311-R316 VanDerWaalsContact OD1-CZ 3.26Å; D311-R316 IonicContact OD1-NE 3.89Å; D311-R316 PolarHBondContact OD1-NE 3.4Å; D311-R316 IonicContact OD1-NH2 3Å; D311-R316 PolarHBondContact OD1-NH2 2.93Å; D311-R316 WeakPolarHBondContact OD2-CB 3.36Å; D311-R316 WeakPolarHBondContact OD2-CD 3.48Å; D311-R316 IonicContact OD2-CZ 3.69Å; D311-R316 IonicContact OD2-NE 3.26Å; D311-R316 PolarHBondContact OD2-NE 2.99Å; D311-R316 IonicContact OD2-NH2 2.79Å; N313-R316 HydrophobicContact CB-CB 4.31Å; N313-R316 HydrophobicContact CB-CG 4.14Å; N313-R316 WeakPolarHBondContact O-CA 3.38Å; N313-R316 WeakPolarHBondContact O-CB 3.42Å; N313-R316 PolarHBondContact O-N 3.47Å; R316-Y318 PolarHBondContact O-N 3.45Å; R316-R319 CarbonylContact O-C 3.48Å; R316-R319 WeakPolarHBondContact O-CA 3.47Å; R316-R319 WeakPolarHBondContact O-CB 3.38Å; R316-R319 PolarHBondContact O-N 3.44Å; R316-Q320 WeakPolarHBondContact O-CG 3.49Å; R316-Q320 PolarHBondContact O-N 2.86Å
317	L	88	Confident	89.8	Confident	9 Å²	9	61.4 Å²	61.4	5%	0.047	29%	0.288	C	S	.	.	H	α-helix	trans	-52.3	-50.9	170.7	176.3	63.1	0	0	0	111.7	F309 D311 N313 R319 Q320 I321	F309-L317 HydrophobicContact CB-CD1 3.73Å; D311-L317 HydrophobicContact CB-CB 4.14Å; N313-L317 PolarHBondContact O-N 2.89Å; L317-R319 VanDerWaalsContact C-N 3.28Å; L317-R319 PolarHBondContact O-N 3.24Å; L317-Q320 WeakPolarHBondContact O-CB 3.2Å; L317-Q320 PolarHBondContact O-N 3.1Å; L317-Q320 VanDerWaalsContact O-N 3.1Å; L317-I321 HydrophobicContact CD1-CD1 4.09Å; L317-I321 HydrophobicContact CG-CD1 4.04Å; L317-I321 WeakPolarHBondContact O-CG1 3.27Å; L317-I321 PolarHBondContact O-N 2.82Å
318	Y	88.6	Confident	90	Very high	6 Å²	6	63 Å²	63	2%	0.024	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-32	177.1	-63	-28.3	0	0	0	112.8	P273 L281 R314 R316 I321 L322 V418 L426	P273-Y318 HydrophobicContact CB-CE1 4.33Å; L281-Y318 HydrophobicContact CD1-CD1 3.78Å; L281-Y318 HydrophobicContact CD1-CG 4.19Å; L281-Y318 HydrophobicContact CD2-CD1 3.71Å; L281-Y318 HydrophobicContact CD2-CE1 3.77Å; L281-Y318 HydrophobicContact CD2-CG 4.16Å; L281-Y318 HydrophobicContact CG-CD1 4.43Å; R314-Y318 HydrophobicContact CB-CE2 4.28Å; R314-Y318 PolarHBondContact NE-OH 2.78Å; R314-Y318 PolarHBondContact NH2-OH 2.7Å; R314-Y318 WeakPolarHBondContact O-CB 3.42Å; R314-Y318 WeakPolarHBondContact O-CD2 3.44Å; R314-Y318 PolarHBondContact O-N 2.85Å; R316-Y318 PolarHBondContact O-N 3.45Å; Y318-I321 HydrophobicContact CD1-CD1 4.46Å; Y318-L322 WeakPolarHBondContact O-CB 3.48Å; Y318-L322 WeakPolarHBondContact O-CD1 3.45Å; Y318-L322 WeakPolarHBondContact O-CG 3.45Å; Y318-L322 PolarHBondContact O-N 3.45Å; Y318-V418 HydrophobicContact CE2-CG1 4.13Å; Y318-L426 HydrophobicContact CD2-CD2 4.14Å; Y318-L426 HydrophobicContact CG-CD2 4.32Å
319	R	89.4	Confident	89.8	Confident	134 Å²	134	66.3 Å²	66.3	51%	0.506	32%	0.318	S	S	.	.	H	α-helix	trans	-71	-30.5	172.5	-74.1	166.8	-179.2	175.6	0.3	113.4	M315 R316 L317 K323 L426	M315-R319 WeakPolarHBondContact O-CD 3.48Å; M315-R319 WeakPolarHBondContact O-CG 3.5Å; M315-R319 PolarHBondContact O-N 3.27Å; R316-R319 CarbonylContact O-C 3.48Å; R316-R319 WeakPolarHBondContact O-CA 3.47Å; R316-R319 WeakPolarHBondContact O-CB 3.38Å; R316-R319 PolarHBondContact O-N 3.44Å; L317-R319 VanDerWaalsContact C-N 3.28Å; L317-R319 PolarHBondContact O-N 3.24Å; R319-K323 WeakPolarHBondContact O-CB 3.32Å; R319-K323 WeakPolarHBondContact O-CG 3.17Å; R319-K323 PolarHBondContact O-N 3.23Å; R319-L426 HydrophobicContact CG-CD1 4.32Å
320	Q	91.8	Very high	89.6	Confident	47 Å²	47	68.7 Å²	68.7	22%	0.22	34%	0.342	C	S	.	.	H	α-helix	trans	-65.8	-52.4	171.7	-64	170.9	4.1	0	0	109.8	F309 E310 R316 L317 L322 K323 G324 K325	F309-Q320 HydrophobicContact CD1-CB 3.95Å; E310-Q320 VanDerWaalsContact N-OE1 3.12Å; E310-Q320 PolarHBondContact O-NE2 3.36Å; R316-Q320 WeakPolarHBondContact O-CG 3.49Å; R316-Q320 PolarHBondContact O-N 2.86Å; L317-Q320 WeakPolarHBondContact O-CB 3.2Å; L317-Q320 PolarHBondContact O-N 3.1Å; L317-Q320 VanDerWaalsContact O-N 3.1Å; Q320-L322 PolarHBondContact O-N 3.38Å; Q320-K323 CarbonylContact O-C 3.57Å; Q320-K323 PolarHBondContact O-N 3.42Å; Q320-K323 VanDerWaalsContact O-N 3.15Å; Q320-G324 PolarHBondContact O-N 3.43Å; Q320-K325 PolarHBondContact O-N 3.43Å
321	I	92.6	Very high	89.6	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-57.7	-51.2	179.1	-66.6	168	0	0	0	111.2	I276 P278 L281 W293 F309 L317 Y318 K323 G324	I276-I321 HydrophobicContact CG2-CD1 4.23Å; P278-I321 HydrophobicContact CG-CG2 4.05Å; L281-I321 HydrophobicContact CD1-CB 4.06Å; L281-I321 HydrophobicContact CD1-CD1 4.48Å; L281-I321 HydrophobicContact CD1-CG2 3.61Å; W293-I321 HydrophobicContact CZ2-CG2 3.89Å; F309-I321 HydrophobicContact CB-CD1 4.44Å; F309-I321 HydrophobicContact CB-CG1 3.84Å; F309-I321 HydrophobicContact CD1-CG1 4.2Å; F309-I321 HydrophobicContact CD2-CG1 3.88Å; F309-I321 HydrophobicContact CG-CG1 3.7Å; L317-I321 HydrophobicContact CD1-CD1 4.09Å; L317-I321 HydrophobicContact CG-CD1 4.04Å; L317-I321 WeakPolarHBondContact O-CG1 3.27Å; L317-I321 PolarHBondContact O-N 2.82Å; Y318-I321 HydrophobicContact CD1-CD1 4.46Å; I321-K323 PolarHBondContact O-N 3.42Å; I321-K323 VanDerWaalsContact O-N 3.09Å; I321-G324 PolarHBondContact O-N 2.74Å
322	L	91.3	Very high	89.7	Confident	5 Å²	5	67.5 Å²	67.5	3%	0.026	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.7	179.8	-72.7	173.5	0	0	0	114.8	P278 L281 V282 Y318 Q320 L426 Y430	P278-L322 HydrophobicContact CB-CD2 4.36Å; L281-L322 HydrophobicContact CB-CD2 3.91Å; L281-L322 HydrophobicContact CB-CG 4.42Å; L281-L322 HydrophobicContact CD1-CD2 4.35Å; L281-L322 HydrophobicContact CD1-CG 4.18Å; V282-L322 HydrophobicContact CG1-CD2 3.6Å; Y318-L322 WeakPolarHBondContact O-CB 3.48Å; Y318-L322 WeakPolarHBondContact O-CD1 3.45Å; Y318-L322 WeakPolarHBondContact O-CG 3.45Å; Y318-L322 PolarHBondContact O-N 3.45Å; Q320-L322 PolarHBondContact O-N 3.38Å; L322-L426 HydrophobicContact CD1-CD2 3.97Å; L322-L426 HydrophobicContact CD1-CG 4.17Å; L322-Y430 HydrophobicContact CB-CD2 4.27Å; L322-Y430 HydrophobicContact CB-CE2 3.89Å; L322-Y430 HydrophobicContact CD1-CD2 4.2Å; L322-Y430 PolarHBondContact O-OH 3.13Å
323	K	92.5	Very high	90.1	Very high	117 Å²	117	59.6 Å²	59.6	51%	0.509	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110	1.4	175.1	-68	-166.3	173.7	-153.8	0	113.2	R319 Q320 I321 K325 Y434	R319-K323 WeakPolarHBondContact O-CB 3.32Å; R319-K323 WeakPolarHBondContact O-CG 3.17Å; R319-K323 PolarHBondContact O-N 3.23Å; Q320-K323 CarbonylContact O-C 3.57Å; Q320-K323 PolarHBondContact O-N 3.42Å; Q320-K323 VanDerWaalsContact O-N 3.15Å; I321-K323 PolarHBondContact O-N 3.42Å; I321-K323 VanDerWaalsContact O-N 3.09Å; K323-K325 HydrophobicContact CB-CB 4.35Å; K323-K325 PolarHBondContact O-N 3.46Å; K323-K325 VanDerWaalsContact O-N 3.15Å; K323-Y434 WeakPolarHBondContact CE-OH 3.37Å; K323-Y434 PolarHBondContact NZ-OH 2.9Å; K323-Y434 VanDerWaalsContact NZ-OH 3.1Å
324	G	92.9	Very high	90.3	Very high	16 Å²	16	60.4 Å²	60.4	17%	0.165	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	23.1	-172	0	0	0	0	0	113.8	Q320 I321 Y326 V350	Q320-G324 PolarHBondContact O-N 3.43Å; I321-G324 PolarHBondContact O-N 2.74Å; G324-Y326 WeakPolarHBondContact O-CD1 3.43Å; G324-Y326 WeakPolarHBondContact O-CE1 3.38Å; G324-Y326 PolarHBondContact O-N 3.4Å; G324-V350 VanDerWaalsContact CA-CG2 3.49Å
325	K	91.7	Very high	90.6	Very high	157 Å²	157	56.8 Å²	56.8	68%	0.683	29%	0.294	S	S	*	.			trans	-86.5	100.7	-170.3	-171.4	177.9	-180	177.2	0	112	Q320 K323	Q320-K325 PolarHBondContact O-N 3.43Å; K323-K325 HydrophobicContact CB-CB 4.35Å; K323-K325 PolarHBondContact O-N 3.46Å; K323-K325 VanDerWaalsContact O-N 3.15Å
326	Y	94.6	Very high	91.1	Very high	47 Å²	47	54.2 Å²	54.2	18%	0.184	28%	0.281	C	S	.	.			trans	-132.8	179	166.8	59.8	-85.3	0	0	0	109.4	Y300 P308 F309 G324 F328 V344 E345 L348	Y300-Y326 HydrophobicContact CD2-CD2 4.13Å; Y300-Y326 AromaticContact CE2-CD2 3.9Å; Y300-Y326 HydrophobicContact CE2-CD2 3.9Å; P308-Y326 HydrophobicContact CB-CD2 4.46Å; P308-Y326 HydrophobicContact CB-CG 4Å; P308-Y326 WeakPolarHBondContact O-CB 3.44Å; F309-Y326 AromaticContact CE1-CD1 3.7Å; F309-Y326 HydrophobicContact CE1-CD1 3.7Å; F309-Y326 HydrophobicContact CE1-CG 4.35Å; F309-Y326 AromaticContact CZ-CD1 3.62Å; F309-Y326 HydrophobicContact CZ-CD1 3.62Å; F309-Y326 HydrophobicContact CZ-CE1 4.29Å; F309-Y326 HydrophobicContact CZ-CG 4.46Å; G324-Y326 WeakPolarHBondContact O-CD1 3.43Å; G324-Y326 WeakPolarHBondContact O-CE1 3.38Å; G324-Y326 PolarHBondContact O-N 3.4Å; Y326-F328 HydrophobicContact CD2-CE1 4.48Å; Y326-F328 HydrophobicContact CE2-CE1 4.02Å; Y326-F328 HydrophobicContact CE2-CE2 4.32Å; Y326-F328 AromaticContact CE2-CZ 3.76Å; Y326-F328 HydrophobicContact CE2-CZ 3.76Å; Y326-V344 HydrophobicContact CE2-CG1 4.13Å; Y326-E345 WeakPolarHBondContact OH-CA 3.13Å; Y326-L348 HydrophobicContact CD1-CD1 4.21Å; Y326-L348 HydrophobicContact CE1-CB 3.78Å; Y326-L348 HydrophobicContact CE1-CD1 3.8Å; Y326-L348 HydrophobicContact CE1-CG 4.46Å; Y326-L348 HydrophobicContact CE2-CD1 4.27Å
327	S	93.9	Very high	91.4	Very high	67 Å²	67	50 Å²	50	47%	0.469	27%	0.27	S	S	.	.			trans	-152.8	138.3	179.8	54.1	0	0	0	0	113.7	Y300 S329	Y300-S327 PolarHBondContact OH-O 3.28Å; S327-S329 PolarHBondContact O-N 3.13Å; S327-S329 PolarHBondContact O-OG 3.44Å; S327-S329 PolarHBondContact OG-OG 3.46Å
328	F	95.7	Very high	91.6	Very high	47 Å²	47	55.5 Å²	55.5	21%	0.206	30%	0.299	C	S	.	.			trans	-78.9	55.9	174.5	-55.9	-58.2	0	0	0	112.1	Y300 Y326 W333 K341 V344 E345	Y300-F328 HydrophobicContact CD2-CD1 4.44Å; Y300-F328 HydrophobicContact CD2-CE1 4.1Å; Y300-F328 HydrophobicContact CE2-CD1 4.12Å; Y300-F328 HydrophobicContact CE2-CE1 4.19Å; Y326-F328 HydrophobicContact CD2-CE1 4.48Å; Y326-F328 HydrophobicContact CE2-CE1 4.02Å; Y326-F328 HydrophobicContact CE2-CE2 4.32Å; Y326-F328 AromaticContact CE2-CZ 3.76Å; Y326-F328 HydrophobicContact CE2-CZ 3.76Å; F328-W333 HydrophobicContact CB-CB 4.14Å; F328-W333 HydrophobicContact CB-CD2 3.97Å; F328-W333 HydrophobicContact CB-CE3 4.1Å; F328-W333 HydrophobicContact CB-CG 3.99Å; F328-W333 AromaticContact CD1-CD2 3.76Å; F328-W333 HydrophobicContact CD1-CD2 3.76Å; F328-W333 AromaticContact CD1-CE2 3.91Å; F328-W333 AromaticContact CD1-CE3 3.5Å; F328-W333 HydrophobicContact CD1-CE3 3.5Å; F328-W333 VanDerWaalsContact CD1-CE3 3.5Å; F328-W333 AromaticContact CD1-CH2 3.65Å; F328-W333 HydrophobicContact CD1-CH2 3.65Å; F328-W333 AromaticContact CD1-CZ2 3.89Å; F328-W333 HydrophobicContact CD1-CZ2 3.89Å; F328-W333 AromaticContact CD1-CZ3 3.43Å; F328-W333 HydrophobicContact CD1-CZ3 3.43Å; F328-W333 VanDerWaalsContact CD1-CZ3 3.43Å; F328-W333 HydrophobicContact CE1-CE3 4.28Å; F328-W333 AromaticContact CE1-CH2 3.79Å; F328-W333 HydrophobicContact CE1-CH2 3.79Å; F328-W333 HydrophobicContact CE1-CZ2 4.33Å; F328-W333 AromaticContact CE1-CZ3 3.75Å; F328-W333 HydrophobicContact CE1-CZ3 3.75Å; F328-W333 HydrophobicContact CG-CD2 4.34Å; F328-W333 HydrophobicContact CG-CE3 4.14Å; F328-W333 HydrophobicContact CG-CZ3 4.43Å; F328-W333 VanDerWaalsContact O-CB 3.24Å; F328-W333 WeakPolarHBondContact O-CB 3.31Å; F328-K341 HydrophobicContact CD1-CG 4.17Å; F328-K341 HydrophobicContact CD2-CB 4.05Å; F328-K341 HydrophobicContact CD2-CD 4.28Å; F328-K341 HydrophobicContact CD2-CG 3.87Å; F328-K341 HydrophobicContact CE1-CG 4.26Å; F328-K341 HydrophobicContact CE2-CB 3.7Å; F328-K341 HydrophobicContact CE2-CG 3.97Å; F328-K341 HydrophobicContact CG-CD 4.39Å; F328-K341 HydrophobicContact CG-CG 3.96Å; F328-K341 HydrophobicContact CZ-CB 3.94Å; F328-K341 HydrophobicContact CZ-CG 4.16Å; F328-V344 HydrophobicContact CE1-CB 4.15Å; F328-V344 HydrophobicContact CE1-CG1 3.85Å; F328-V344 HydrophobicContact CZ-CB 4.01Å; F328-V344 HydrophobicContact CZ-CG1 3.9Å; F328-E345 HydrophobicContact CE2-CG 3.8Å; F328-E345 HydrophobicContact CZ-CG 4Å
329	S	90.9	Very high	91.9	Very high	80 Å²	80	58.9 Å²	58.9	56%	0.559	32%	0.318	S	S	*	.			trans	-112.3	133.2	-169.7	52	0	0	0	0	112.4	S327	S327-S329 PolarHBondContact O-N 3.13Å; S327-S329 PolarHBondContact O-OG 3.44Å; S327-S329 PolarHBondContact OG-OG 3.46Å
330	G	89.1	Confident	92.2	Very high	49 Å²	49	52.5 Å²	52.5	51%	0.505	29%	0.294	S	S	.	.	S	Bend	trans	81.5	170.2	-179.3	0	0	0	0	0	113.8	W333 P334	G330-W333 WeakPolarHBondContact O-CB 3.32Å; G330-W333 PolarHBondContact O-N 3.47Å; G330-P334 WeakPolarHBondContact O-CD 3.47Å
331	E	87.3	Confident	92.4	Very high	109 Å²	109	51.8 Å²	51.8	51%	0.509	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	134.9	-175.6	-75.9	-59	116.4	0	0	112.9	P334 N386	E331-P334 WeakPolarHBondContact OE1-CD 3.45Å; E331-P334 WeakPolarHBondContact OE1-CG 3.44Å; E331-N386 PolarHBondContact O-ND2 3.15Å
332	P	90.6	Very high	92.6	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.013	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	cis	-98.6	12.6	10.6	38.8	-36.3	0	0	0	115.5	L303 P334 S335 V336 L379 C382	L303-P332 WeakPolarHBondContact O-CG 3.34Å; P332-P334 VanDerWaalsContact C-CD 3.4Å; P332-S335 WeakPolarHBondContact O-CA 3.02Å; P332-S335 PolarHBondContact O-N 3.15Å; P332-V336 HydrophobicContact CG-CG2 4.34Å; P332-V336 PolarHBondContact O-N 2.93Å; P332-L379 HydrophobicContact CB-CD2 4.19Å; P332-C382 HydrophobicContact CB-CB 3.98Å; P332-C382 HydrophobicContact CG-CB 4.25Å
333	W	93.3	Very high	92.9	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.008	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-56.4	-31.3	-169.1	-67.8	114.6	0	0	0	116.9	Y300 L303 S304 F328 G330 S335 V336 K341	Y300-W333 AromaticContact CD1-CZ2 3.96Å; Y300-W333 HydrophobicContact CD1-CZ2 3.96Å; Y300-W333 AromaticContact CD2-CH2 3.8Å; Y300-W333 HydrophobicContact CD2-CH2 3.8Å; Y300-W333 AromaticContact CD2-CZ2 3.49Å; Y300-W333 HydrophobicContact CD2-CZ2 3.49Å; Y300-W333 VanDerWaalsContact CD2-CZ2 3.49Å; Y300-W333 AromaticContact CE1-CZ2 3.81Å; Y300-W333 HydrophobicContact CE1-CZ2 3.81Å; Y300-W333 AromaticContact CE2-CE2 3.95Å; Y300-W333 HydrophobicContact CE2-CH2 4.04Å; Y300-W333 AromaticContact CE2-CZ2 3.33Å; Y300-W333 HydrophobicContact CE2-CZ2 3.33Å; Y300-W333 HydrophobicContact CG-CH2 4.14Å; Y300-W333 AromaticContact CG-CZ2 3.81Å; Y300-W333 HydrophobicContact CG-CZ2 3.81Å; Y300-W333 AromaticContact CZ-CE2 3.92Å; Y300-W333 AromaticContact CZ-CZ2 3.51Å; Y300-W333 AromaticContact CZ-NE1 3.82Å; L303-W333 HydrophobicContact CB-CH2 3.72Å; L303-W333 HydrophobicContact CB-CZ3 3.94Å; L303-W333 HydrophobicContact CD1-CH2 4.07Å; L303-W333 HydrophobicContact CD1-CZ3 4Å; S304-W333 VanDerWaalsContact CB-CZ2 3.49Å; F328-W333 HydrophobicContact CB-CB 4.14Å; F328-W333 HydrophobicContact CB-CD2 3.97Å; F328-W333 HydrophobicContact CB-CE3 4.1Å; F328-W333 HydrophobicContact CB-CG 3.99Å; F328-W333 AromaticContact CD1-CD2 3.76Å; F328-W333 HydrophobicContact CD1-CD2 3.76Å; F328-W333 AromaticContact CD1-CE2 3.91Å; F328-W333 AromaticContact CD1-CE3 3.5Å; F328-W333 HydrophobicContact CD1-CE3 3.5Å; F328-W333 VanDerWaalsContact CD1-CE3 3.5Å; F328-W333 AromaticContact CD1-CH2 3.65Å; F328-W333 HydrophobicContact CD1-CH2 3.65Å; F328-W333 AromaticContact CD1-CZ2 3.89Å; F328-W333 HydrophobicContact CD1-CZ2 3.89Å; F328-W333 AromaticContact CD1-CZ3 3.43Å; F328-W333 HydrophobicContact CD1-CZ3 3.43Å; F328-W333 VanDerWaalsContact CD1-CZ3 3.43Å; F328-W333 HydrophobicContact CE1-CE3 4.28Å; F328-W333 AromaticContact CE1-CH2 3.79Å; F328-W333 HydrophobicContact CE1-CH2 3.79Å; F328-W333 HydrophobicContact CE1-CZ2 4.33Å; F328-W333 AromaticContact CE1-CZ3 3.75Å; F328-W333 HydrophobicContact CE1-CZ3 3.75Å; F328-W333 HydrophobicContact CG-CD2 4.34Å; F328-W333 HydrophobicContact CG-CE3 4.14Å; F328-W333 HydrophobicContact CG-CZ3 4.43Å; F328-W333 VanDerWaalsContact O-CB 3.24Å; F328-W333 WeakPolarHBondContact O-CB 3.31Å; G330-W333 WeakPolarHBondContact O-CB 3.32Å; G330-W333 PolarHBondContact O-N 3.47Å; W333-S335 PolarHBondContact O-N 2.92Å; W333-V336 HydrophobicContact CE3-CB 3.97Å; W333-V336 HydrophobicContact CE3-CG1 3.94Å; W333-V336 HydrophobicContact CE3-CG2 4.13Å; W333-V336 HydrophobicContact CZ3-CB 4.39Å; W333-V336 HydrophobicContact CZ3-CG1 3.89Å; W333-V336 PolarHBondContact O-N 3.13Å; W333-K341 HydrophobicContact CE3-CG 4.48Å; W333-K341 VanDerWaalsContact O-CE 3.3Å; W333-K341 WeakPolarHBondContact O-CE 3.4Å; W333-K341 PolarHBondContact O-NZ 3.43Å
334	P	91.3	Very high	93.2	Very high	90 Å²	90	47.8 Å²	47.8	58%	0.584	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-61.3	-24	170.7	-26.1	36.8	0	0	0	114.1	G330 E331 P332	G330-P334 WeakPolarHBondContact O-CD 3.47Å; E331-P334 WeakPolarHBondContact OE1-CD 3.45Å; E331-P334 WeakPolarHBondContact OE1-CG 3.44Å; P332-P334 VanDerWaalsContact C-CD 3.4Å
335	S	88.4	Confident	93.4	Very high	30 Å²	30	51.5 Å²	51.5	21%	0.21	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-99.6	-4.7	179.3	-78.1	0	0	0	0	115	P332 W333 S375 K377	P332-S335 WeakPolarHBondContact O-CA 3.02Å; P332-S335 PolarHBondContact O-N 3.15Å; W333-S335 PolarHBondContact O-N 2.92Å; S335-S375 PolarHBondContact O-OG 2.93Å; S335-K377 WeakPolarHBondContact OG-CD 3.42Å; S335-K377 PolarHBondContact OG-NZ 3.22Å
336	V	92.1	Very high	93.8	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.024	28%	0.276	C	S	.	.	S	Bend	trans	-88.1	135.6	177	172.6	0	0	0	0	110.5	L303 P332 W333 A340 K341 L379	L303-V336 HydrophobicContact CD1-CG1 4.33Å; L303-V336 HydrophobicContact CD2-CG1 4.02Å; P332-V336 HydrophobicContact CG-CG2 4.34Å; P332-V336 PolarHBondContact O-N 2.93Å; W333-V336 HydrophobicContact CE3-CB 3.97Å; W333-V336 HydrophobicContact CE3-CG1 3.94Å; W333-V336 HydrophobicContact CE3-CG2 4.13Å; W333-V336 HydrophobicContact CZ3-CB 4.39Å; W333-V336 HydrophobicContact CZ3-CG1 3.89Å; W333-V336 PolarHBondContact O-N 3.13Å; V336-A340 HydrophobicContact CG1-CB 3.64Å; V336-K341 WeakPolarHBondContact O-CE 3.28Å; V336-K341 PolarHBondContact O-NZ 3.23Å; V336-L379 HydrophobicContact CG2-CD1 4.17Å
337	S	93	Very high	93.9	Very high	31 Å²	31	47.4 Å²	47.4	22%	0.217	27%	0.267	C	S	.	.			trans	-63	153.5	-175.7	77.3	0	0	0	0	114.1	E204 L339 A340 K341	E204-S337 WeakPolarHBondContact OE1-CB 3Å; E204-S337 PolarHBondContact OE1-N 2.67Å; E204-S337 WeakPolarHBondContact OE2-CB 3.48Å; E204-S337 PolarHBondContact OE2-OG 2.79Å; S337-L339 VanDerWaalsContact C-N 3.26Å; S337-L339 PolarHBondContact O-N 3.08Å; S337-A340 WeakPolarHBondContact O-CB 3.36Å; S337-A340 PolarHBondContact O-N 3.01Å; S337-A340 PolarHBondContact OG-N 2.66Å; S337-K341 PolarHBondContact O-N 2.81Å
338	N	93.4	Very high	94.1	Very high	125 Å²	125	44.4 Å²	44.4	67%	0.668	25%	0.246	S	C	*	.	H	α-helix	trans	-67.1	-28.7	175.8	-67.3	-5.6	0	0	0	112	A340 K341 D342	N338-A340 VanDerWaalsContact C-N 3.32Å; N338-A340 PolarHBondContact O-N 2.9Å; N338-K341 PolarHBondContact O-N 2.84Å; N338-D342 VanDerWaalsContact O-CB 3.25Å; N338-D342 WeakPolarHBondContact O-CB 3.47Å; N338-D342 PolarHBondContact O-N 3.39Å
339	L	94.6	Very high	94.2	Very high	78 Å²	78	44.2 Å²	44.2	41%	0.408	25%	0.248	S	C	.	.	H	α-helix	trans	-66.3	-33	173.6	-64.6	179.6	0	0	0	112.5	S337 F343 P365 W366	S337-L339 VanDerWaalsContact C-N 3.26Å; S337-L339 PolarHBondContact O-N 3.08Å; L339-F343 WeakPolarHBondContact O-CB 3.33Å; L339-F343 PolarHBondContact O-N 2.85Å; L339-P365 HydrophobicContact CD2-CB 4.41Å; L339-W366 HydrophobicContact CB-CB 3.97Å; L339-W366 HydrophobicContact CB-CG 4.31Å; L339-W366 WeakPolarHBondContact O-CB 3.41Å
340	A	95.4	Very high	94.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-70.1	-39.3	173.7	0	0	0	0	0	112	L303 V336 S337 N338 F343 V344 W366	L303-A340 HydrophobicContact CD1-CB 3.91Å; L303-A340 HydrophobicContact CD2-CB 4.2Å; V336-A340 HydrophobicContact CG1-CB 3.64Å; S337-A340 WeakPolarHBondContact O-CB 3.36Å; S337-A340 PolarHBondContact O-N 3.01Å; S337-A340 PolarHBondContact OG-N 2.66Å; N338-A340 VanDerWaalsContact C-N 3.32Å; N338-A340 PolarHBondContact O-N 2.9Å; A340-F343 PolarHBondContact O-N 3.47Å; A340-V344 WeakPolarHBondContact O-CG2 3.35Å; A340-V344 PolarHBondContact O-N 2.97Å; A340-V344 VanDerWaalsContact O-N 3.08Å; A340-W366 HydrophobicContact CB-CD2 4.1Å; A340-W366 HydrophobicContact CB-CG 4.35Å; A340-W366 HydrophobicContact CB-CZ2 3.91Å
341	K	96.4	Very high	94.5	Very high	32 Å²	32	44.3 Å²	44.3	14%	0.139	23%	0.232	C	C	.	.	H	α-helix	trans	-65.5	-50.3	176.2	-68.4	162.3	179	150.4	0	110.9	F328 W333 V336 S337 N338 F343 V344 E345	F328-K341 HydrophobicContact CD1-CG 4.17Å; F328-K341 HydrophobicContact CD2-CB 4.05Å; F328-K341 HydrophobicContact CD2-CD 4.28Å; F328-K341 HydrophobicContact CD2-CG 3.87Å; F328-K341 HydrophobicContact CE1-CG 4.26Å; F328-K341 HydrophobicContact CE2-CB 3.7Å; F328-K341 HydrophobicContact CE2-CG 3.97Å; F328-K341 HydrophobicContact CG-CD 4.39Å; F328-K341 HydrophobicContact CG-CG 3.96Å; F328-K341 HydrophobicContact CZ-CB 3.94Å; F328-K341 HydrophobicContact CZ-CG 4.16Å; W333-K341 HydrophobicContact CE3-CG 4.48Å; W333-K341 VanDerWaalsContact O-CE 3.3Å; W333-K341 WeakPolarHBondContact O-CE 3.4Å; W333-K341 PolarHBondContact O-NZ 3.43Å; V336-K341 WeakPolarHBondContact O-CE 3.28Å; V336-K341 PolarHBondContact O-NZ 3.23Å; S337-K341 PolarHBondContact O-N 2.81Å; N338-K341 PolarHBondContact O-N 2.84Å; K341-F343 VanDerWaalsContact C-N 3.3Å; K341-F343 PolarHBondContact O-N 3.48Å; K341-V344 CarbonylContact O-C 3.57Å; K341-V344 WeakPolarHBondContact O-CA 3.4Å; K341-V344 PolarHBondContact O-N 2.86Å; K341-E345 WeakPolarHBondContact O-CG 3.24Å; K341-E345 PolarHBondContact O-N 3.35Å
342	D	97.1	Very high	94.8	Very high	37 Å²	37	41.4 Å²	41.4	20%	0.198	22%	0.223	C	C	.	.	H	α-helix	trans	-55	-41.7	174	178.8	52.3	0	0	0	112.4	N338 E345 R346 H364	N338-D342 VanDerWaalsContact O-CB 3.25Å; N338-D342 WeakPolarHBondContact O-CB 3.47Å; N338-D342 PolarHBondContact O-N 3.39Å; D342-E345 PolarHBondContact O-N 2.95Å; D342-R346 VanDerWaalsContact CG-NE 3.35Å; D342-R346 WeakPolarHBondContact O-CG 3.36Å; D342-R346 PolarHBondContact O-N 3.07Å; D342-R346 VanDerWaalsContact O-N 3.13Å; D342-R346 IonicContact OD1-CZ 2.67Å; D342-R346 IonicContact OD1-NE 3.18Å; D342-R346 PolarHBondContact OD1-NE 3.26Å; D342-R346 IonicContact OD1-NH2 2.67Å; D342-R346 PolarHBondContact OD1-NH2 3.26Å; D342-R346 IonicContact OD2-CZ 1.93Å; D342-R346 IonicContact OD2-NE 3.8Å; D342-R346 PolarHBondContact OD2-NE 3.3Å; D342-R346 IonicContact OD2-NH2 2.67Å; D342-R346 PolarHBondContact OD2-NH2 3.21Å; D342-H364 IonicContact OD2-CE1 3.25Å; D342-H364 PolarHBondContact OD2-CE1 2.88Å; D342-H364 VanDerWaalsContact OD2-CE1 3.24Å; D342-H364 IonicContact OD2-NE2 2.65Å; D342-H364 PolarHBondContact OD2-NE2 3.05Å
343	F	97.7	Very high	94.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.7	-49	172.7	178.6	-101.5	0	0	0	112	L211 L215 L339 A340 K341 E345 R346 I347 L356 A361 H364 W366 I367	L211-F343 HydrophobicContact CD1-CE1 4.28Å; L215-F343 HydrophobicContact CD1-CZ 4.27Å; L339-F343 WeakPolarHBondContact O-CB 3.33Å; L339-F343 PolarHBondContact O-N 2.85Å; A340-F343 PolarHBondContact O-N 3.47Å; K341-F343 VanDerWaalsContact C-N 3.3Å; K341-F343 PolarHBondContact O-N 3.48Å; F343-E345 VanDerWaalsContact C-N 3.32Å; F343-E345 PolarHBondContact O-N 3.5Å; F343-R346 PolarHBondContact O-N 3.12Å; F343-I347 HydrophobicContact CD1-CG2 4.46Å; F343-I347 HydrophobicContact CE1-CD1 4.22Å; F343-I347 HydrophobicContact CE1-CG2 4.31Å; F343-I347 HydrophobicContact CZ-CD1 3.92Å; F343-I347 WeakPolarHBondContact O-CG2 3.49Å; F343-I347 PolarHBondContact O-N 3.37Å; F343-I347 VanDerWaalsContact O-N 3.15Å; F343-L356 HydrophobicContact CD2-CD1 4.35Å; F343-L356 HydrophobicContact CE2-CD1 4.42Å; F343-A361 HydrophobicContact CE2-CB 3.91Å; F343-A361 HydrophobicContact CZ-CB 4.33Å; F343-H364 VanDerWaalsContact CA-CE1 3.48Å; F343-H364 WeakPolarHBondContact CA-CE1 3.36Å; F343-H364 HydrophobicContact CD2-CB 3.78Å; F343-H364 AromaticContact CD2-CG 3.61Å; F343-H364 AromaticContact CD2-ND1 3.64Å; F343-H364 HydrophobicContact CE2-CB 4.19Å; F343-H364 PolarHBondContact N-CE1 3.33Å; F343-W366 HydrophobicContact CB-CB 4.35Å; F343-W366 HydrophobicContact CB-CD2 4.36Å; F343-W366 HydrophobicContact CB-CE3 3.77Å; F343-W366 HydrophobicContact CB-CZ3 4.49Å; F343-W366 AromaticContact CD1-CE3 3.53Å; F343-W366 HydrophobicContact CD1-CE3 3.53Å; F343-W366 AromaticContact CD1-CZ3 3.48Å; F343-W366 HydrophobicContact CD1-CZ3 3.48Å; F343-W366 VanDerWaalsContact CD1-CZ3 3.48Å; F343-W366 HydrophobicContact CD2-CE3 4.25Å; F343-W366 HydrophobicContact CE1-CE3 4.17Å; F343-W366 AromaticContact CE1-CZ3 3.87Å; F343-W366 HydrophobicContact CE1-CZ3 3.87Å; F343-W366 AromaticContact CG-CE3 3.57Å; F343-W366 HydrophobicContact CG-CE3 3.57Å; F343-W366 HydrophobicContact CG-CZ3 4.05Å; F343-I367 HydrophobicContact CD2-CG1 3.98Å; F343-I367 HydrophobicContact CE1-CD1 4.46Å; F343-I367 HydrophobicContact CE2-CD1 4.13Å; F343-I367 HydrophobicContact CE2-CG1 3.63Å; F343-I367 HydrophobicContact CZ-CD1 4.06Å; F343-I367 HydrophobicContact CZ-CG1 4.09Å
344	V	98.1	Very high	94.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.6	-37	179.9	172.2	0	0	0	0	111.6	Y300 L303 Y326 F328 A340 K341 I347 L348	Y300-V344 HydrophobicContact CD2-CG1 4.17Å; L303-V344 HydrophobicContact CD1-CG2 3.93Å; Y326-V344 HydrophobicContact CE2-CG1 4.13Å; F328-V344 HydrophobicContact CE1-CB 4.15Å; F328-V344 HydrophobicContact CE1-CG1 3.85Å; F328-V344 HydrophobicContact CZ-CB 4.01Å; F328-V344 HydrophobicContact CZ-CG1 3.9Å; A340-V344 WeakPolarHBondContact O-CG2 3.35Å; A340-V344 PolarHBondContact O-N 2.97Å; A340-V344 VanDerWaalsContact O-N 3.08Å; K341-V344 CarbonylContact O-C 3.57Å; K341-V344 WeakPolarHBondContact O-CA 3.4Å; K341-V344 PolarHBondContact O-N 2.86Å; V344-I347 WeakPolarHBondContact O-CG2 3.36Å; V344-L348 HydrophobicContact CG1-CD1 3.78Å; V344-L348 HydrophobicContact CG1-CG 4.37Å; V344-L348 VanDerWaalsContact O-CB 3.28Å; V344-L348 WeakPolarHBondContact O-CB 3.3Å; V344-L348 PolarHBondContact O-N 2.75Å
345	E	97.9	Very high	95.2	Very high	94 Å²	94	47.6 Å²	47.6	44%	0.439	25%	0.253	S	S	.	.	H	α-helix	trans	-63.7	-49	176.9	-73.6	168.8	147.8	0	0	112.2	Y326 F328 K341 D342 F343 I347 L348 T349	Y326-E345 WeakPolarHBondContact OH-CA 3.13Å; F328-E345 HydrophobicContact CE2-CG 3.8Å; F328-E345 HydrophobicContact CZ-CG 4Å; K341-E345 WeakPolarHBondContact O-CG 3.24Å; K341-E345 PolarHBondContact O-N 3.35Å; D342-E345 PolarHBondContact O-N 2.95Å; F343-E345 VanDerWaalsContact C-N 3.32Å; F343-E345 PolarHBondContact O-N 3.5Å; E345-I347 VanDerWaalsContact C-N 3.33Å; E345-I347 PolarHBondContact O-N 2.75Å; E345-L348 CarbonylContact O-C 3.58Å; E345-L348 PolarHBondContact O-N 2.81Å; E345-T349 PolarHBondContact O-N 3.18Å; E345-T349 VanDerWaalsContact O-N 3.14Å; E345-T349 PolarHBondContact O-OG1 2.93Å
346	R	98.1	Very high	95.6	Very high	119 Å²	119	47.1 Å²	47.1	45%	0.449	25%	0.248	S	C	.	.	H	α-helix	trans	-71.8	-23	-178.9	-61.5	178.2	-159.7	-152	14.3	114.1	D342 F343 T349 L356	D342-R346 VanDerWaalsContact CG-NE 3.35Å; D342-R346 WeakPolarHBondContact O-CG 3.36Å; D342-R346 PolarHBondContact O-N 3.07Å; D342-R346 VanDerWaalsContact O-N 3.13Å; D342-R346 IonicContact OD1-CZ 2.67Å; D342-R346 IonicContact OD1-NE 3.18Å; D342-R346 PolarHBondContact OD1-NE 3.26Å; D342-R346 IonicContact OD1-NH2 2.67Å; D342-R346 PolarHBondContact OD1-NH2 3.26Å; D342-R346 IonicContact OD2-CZ 1.93Å; D342-R346 IonicContact OD2-NE 3.8Å; D342-R346 PolarHBondContact OD2-NE 3.3Å; D342-R346 IonicContact OD2-NH2 2.67Å; D342-R346 PolarHBondContact OD2-NH2 3.21Å; F343-R346 PolarHBondContact O-N 3.12Å; R346-T349 WeakPolarHBondContact CA-OG1 3.38Å; R346-T349 PolarHBondContact O-OG1 2.78Å; R346-L356 HydrophobicContact CB-CD1 3.55Å; R346-L356 HydrophobicContact CB-CD2 4.31Å; R346-L356 HydrophobicContact CB-CG 3.68Å; R346-L356 PolarHBondContact O-N 3.3Å; R346-L356 VanDerWaalsContact O-N 3.14Å
347	I	98.1	Very high	95.9	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-93.3	-25.3	176.6	-162.8	172.3	0	0	0	113.1	M292 L295 G296 F343 V344 E345 T349 R355 L356	M292-I347 HydrophobicContact CB-CG1 4.4Å; M292-I347 HydrophobicContact CE-CD1 3.9Å; M292-I347 HydrophobicContact CE-CG1 4.35Å; M292-I347 VanDerWaalsContact O-CG1 3.26Å; M292-I347 WeakPolarHBondContact O-CG1 3.19Å; L295-I347 HydrophobicContact CB-CD1 3.98Å; G296-I347 VanDerWaalsContact CA-CG2 3.46Å; F343-I347 HydrophobicContact CD1-CG2 4.46Å; F343-I347 HydrophobicContact CE1-CD1 4.22Å; F343-I347 HydrophobicContact CE1-CG2 4.31Å; F343-I347 HydrophobicContact CZ-CD1 3.92Å; F343-I347 WeakPolarHBondContact O-CG2 3.49Å; F343-I347 PolarHBondContact O-N 3.37Å; F343-I347 VanDerWaalsContact O-N 3.15Å; V344-I347 WeakPolarHBondContact O-CG2 3.36Å; E345-I347 VanDerWaalsContact C-N 3.33Å; E345-I347 PolarHBondContact O-N 2.75Å; I347-T349 VanDerWaalsContact C-N 3.32Å; I347-R355 WeakPolarHBondContact O-CD 3.48Å; I347-R355 VanDerWaalsContact O-CG 3.25Å; I347-R355 WeakPolarHBondContact O-CG 3.03Å; I347-L356 HydrophobicContact CB-CD1 4.42Å
348	L	97.5	Very high	96.2	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	26%	0.256	C	S	.	.	S	Bend	trans	-94.6	23.4	168.3	-68.1	-179.8	0	0	0	112.8	W293 V297 P308 F309 Y326 V344 E345 V350	W293-L348 HydrophobicContact CD2-CD2 3.92Å; W293-L348 HydrophobicContact CE3-CD2 4.05Å; W293-L348 HydrophobicContact CG-CD2 4.4Å; W293-L348 HydrophobicContact CZ2-CD2 4.4Å; W293-L348 HydrophobicContact CZ3-CB 4.38Å; W293-L348 HydrophobicContact CZ3-CD2 4.36Å; W293-L348 VanDerWaalsContact CZ3-O 3.23Å; W293-L348 WeakPolarHBondContact CZ3-O 3.17Å; W293-L348 WeakPolarHBondContact O-CD2 3.48Å; V297-L348 HydrophobicContact CG2-CD2 3.88Å; P308-L348 HydrophobicContact CB-CD1 4.23Å; P308-L348 HydrophobicContact CG-CD1 4.36Å; F309-L348 HydrophobicContact CE2-CD2 4.43Å; Y326-L348 HydrophobicContact CD1-CD1 4.21Å; Y326-L348 HydrophobicContact CE1-CB 3.78Å; Y326-L348 HydrophobicContact CE1-CD1 3.8Å; Y326-L348 HydrophobicContact CE1-CG 4.46Å; Y326-L348 HydrophobicContact CE2-CD1 4.27Å; V344-L348 HydrophobicContact CG1-CD1 3.78Å; V344-L348 HydrophobicContact CG1-CG 4.37Å; V344-L348 VanDerWaalsContact O-CB 3.28Å; V344-L348 WeakPolarHBondContact O-CB 3.3Å; V344-L348 PolarHBondContact O-N 2.75Å; E345-L348 CarbonylContact O-C 3.58Å; E345-L348 PolarHBondContact O-N 2.81Å; L348-V350 PolarHBondContact O-N 2.83Å
349	T	97.2	Very high	96.3	Very high	42 Å²	42	44.2 Å²	44.2	26%	0.258	24%	0.24	S	C	.	.			trans	-65.6	130.8	171.5	-67.7	0	0	0	0	110	E345 R346 I347 E354 R355	E345-T349 PolarHBondContact O-N 3.18Å; E345-T349 VanDerWaalsContact O-N 3.14Å; E345-T349 PolarHBondContact O-OG1 2.93Å; R346-T349 WeakPolarHBondContact CA-OG1 3.38Å; R346-T349 PolarHBondContact O-OG1 2.78Å; I347-T349 VanDerWaalsContact C-N 3.32Å; T349-E354 HydrophobicContact CG2-CB 3.89Å; T349-R355 PolarHBondContact O-NE 3.2Å; T349-R355 PolarHBondContact O-NH2 3.03Å
350	V	94.7	Very high	96.5	Very high	48 Å²	48	45.4 Å²	45.4	29%	0.291	24%	0.244	S	C	.	.	S	Bend	trans	-66.9	-42.6	-172.3	175.8	0	0	0	0	111.5	P278 W293 G324 L348 P352 R355	P278-V350 HydrophobicContact CB-CG1 4.1Å; P278-V350 HydrophobicContact CG-CG1 4.16Å; W293-V350 HydrophobicContact CZ3-CG2 4.47Å; G324-V350 VanDerWaalsContact CA-CG2 3.49Å; L348-V350 PolarHBondContact O-N 2.83Å; V350-P352 WeakPolarHBondContact O-CD 3.5Å; V350-R355 PolarHBondContact O-NH2 3.47Å
351	D	92.9	Very high	96.6	Very high	83 Å²	83	45.4 Å²	45.4	44%	0.444	24%	0.244	S	C	.	.	S	Bend	trans	-72.3	123.8	176.2	-157.1	-53.9	0	0	0	111	S353 R355	D351-S353 PolarHBondContact O-N 2.79Å; D351-S353 PolarHBondContact OD1-N 2.82Å; D351-S353 PolarHBondContact OD1-OG 2.69Å; D351-R355 WeakPolarHBondContact O-CB 3.31Å; D351-R355 PolarHBondContact O-N 3Å
352	P	92.1	Very high	96.6	Very high	48 Å²	48	45.6 Å²	45.6	31%	0.312	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-7.3	177.6	30.2	-36.8	0	0	0	115.2	A289 V350	A289-P352 HydrophobicContact CB-CB 3.75Å; V350-P352 WeakPolarHBondContact O-CD 3.5Å
353	S	91.8	Very high	96.6	Very high	82 Å²	82	52 Å²	52	57%	0.573	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-44.4	170.4	69.8	0	0	0	0	112.4	D351	D351-S353 PolarHBondContact O-N 2.79Å; D351-S353 PolarHBondContact OD1-N 2.82Å; D351-S353 PolarHBondContact OD1-OG 2.69Å
354	E	95.1	Very high	96.6	Very high	139 Å²	139	52.3 Å²	52.3	65%	0.65	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-19.3	-176.8	-55.6	-45	110.5	0	0	112.7	T349 L356	T349-E354 HydrophobicContact CG2-CB 3.89Å; E354-L356 PolarHBondContact O-N 2.82Å
355	R	97.4	Very high	96.3	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.015	30%	0.296	C	S	.	.	S	Bend	trans	-63.9	130.6	179	-165.8	-173.9	-55	149.9	5.4	111.5	E279 A289 I347 T349 V350 D351 T357	E279-R355 IonicContact OE1-CZ 2.69Å; E279-R355 IonicContact OE1-NH1 3.1Å; E279-R355 PolarHBondContact OE1-NH1 3.17Å; E279-R355 IonicContact OE1-NH2 2.79Å; E279-R355 PolarHBondContact OE1-NH2 3.41Å; E279-R355 IonicContact OE2-CZ 3.75Å; E279-R355 IonicContact OE2-NH1 3.85Å; E279-R355 PolarHBondContact OE2-NH1 2.7Å; E279-R355 IonicContact OE2-NH2 3.02Å; E279-R355 PolarHBondContact OE2-NH2 3.06Å; A289-R355 PolarHBondContact O-NH1 2.9Å; I347-R355 WeakPolarHBondContact O-CD 3.48Å; I347-R355 VanDerWaalsContact O-CG 3.25Å; I347-R355 WeakPolarHBondContact O-CG 3.03Å; T349-R355 PolarHBondContact O-NE 3.2Å; T349-R355 PolarHBondContact O-NH2 3.03Å; V350-R355 PolarHBondContact O-NH2 3.47Å; D351-R355 WeakPolarHBondContact O-CB 3.31Å; D351-R355 PolarHBondContact O-N 3Å; R355-T357 PolarHBondContact O-N 3.2Å
356	L	97.9	Very high	96.2	Very high	19 Å²	19	51.2 Å²	51.2	10%	0.099	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-50.5	124.1	179.6	-68.4	174.9	0	0	0	112.8	M292 F343 R346 I347 E354 Q360 A361	M292-L356 WeakPolarHBondContact CB-O 3.46Å; M292-L356 WeakPolarHBondContact CE-O 3.43Å; M292-L356 VanDerWaalsContact CG-O 3.28Å; M292-L356 WeakPolarHBondContact CG-O 3.2Å; F343-L356 HydrophobicContact CD2-CD1 4.35Å; F343-L356 HydrophobicContact CE2-CD1 4.42Å; R346-L356 HydrophobicContact CB-CD1 3.55Å; R346-L356 HydrophobicContact CB-CD2 4.31Å; R346-L356 HydrophobicContact CB-CG 3.68Å; R346-L356 PolarHBondContact O-N 3.3Å; R346-L356 VanDerWaalsContact O-N 3.14Å; I347-L356 HydrophobicContact CB-CD1 4.42Å; E354-L356 PolarHBondContact O-N 2.82Å; L356-Q360 HydrophobicContact CD2-CB 3.8Å; L356-A361 HydrophobicContact CB-CB 4.33Å; L356-A361 HydrophobicContact CD1-CB 4.49Å
357	T	98.1	Very high	96	Very high	64 Å²	64	45.6 Å²	45.6	39%	0.393	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-70	159.2	162.8	65.7	0	0	0	0	110.8	R355 G359 Q360 A361	R355-T357 PolarHBondContact O-N 3.2Å; T357-G359 PolarHBondContact O-N 3.15Å; T357-G359 VanDerWaalsContact O-N 3.14Å; T357-Q360 PolarHBondContact O-N 2.77Å; T357-Q360 PolarHBondContact OG1-N 2.98Å; T357-Q360 PolarHBondContact OG1-OE1 3.49Å; T357-A361 WeakPolarHBondContact O-CB 3.34Å; T357-A361 PolarHBondContact O-N 3.05Å
358	A	97.6	Very high	95.5	Very high	2 Å²	2	49.7 Å²	49.7	2%	0.017	28%	0.279	C	S	.	.	H	α-helix	trans	-55.8	-33.8	177.7	0	0	0	0	0	113.2	L215 V218 K219 M292 L362	L215-A358 HydrophobicContact CD2-CB 4.47Å; V218-A358 HydrophobicContact CG1-CB 4.33Å; K219-A358 HydrophobicContact CB-CB 3.75Å; M292-A358 HydrophobicContact CE-CB 4.13Å; M292-A358 HydrophobicContact SD-CB 3.75Å; M292-A358 PolarHBondContact SD-N 3.47Å; M292-A358 VanDerWaalsContact SD-N 3.4Å; A358-L362 WeakPolarHBondContact O-CB 3.18Å; A358-L362 WeakPolarHBondContact O-CG 3.27Å; A358-L362 PolarHBondContact O-N 3.3Å
359	G	97.4	Very high	94.3	Very high	33 Å²	33	51.9 Å²	51.9	34%	0.34	29%	0.294	S	S	.	.	H	α-helix	trans	-71.8	-29.5	176.5	0	0	0	0	0	114.7	T357 K363	T357-G359 PolarHBondContact O-N 3.15Å; T357-G359 VanDerWaalsContact O-N 3.14Å; G359-K363 WeakPolarHBondContact O-CG 3.4Å
360	Q	97.9	Very high	92.7	Very high	103 Å²	103	53.7 Å²	53.7	48%	0.481	30%	0.3	S	S	.	.	H	α-helix	trans	-80.6	-41	171.7	-68.5	156.2	-55.6	0	0	110.9	L356 T357 L362 K363 H364	L356-Q360 HydrophobicContact CD2-CB 3.8Å; T357-Q360 PolarHBondContact O-N 2.77Å; T357-Q360 PolarHBondContact OG1-N 2.98Å; T357-Q360 PolarHBondContact OG1-OE1 3.49Å; Q360-L362 VanDerWaalsContact C-N 3.34Å; Q360-L362 PolarHBondContact O-N 3.13Å; Q360-K363 CarbonylContact O-C 3.51Å; Q360-K363 WeakPolarHBondContact O-CA 3.25Å; Q360-K363 WeakPolarHBondContact O-CB 3.43Å; Q360-K363 PolarHBondContact O-N 3.48Å; Q360-H364 PolarHBondContact O-N 3.33Å; Q360-H364 VanDerWaalsContact O-N 3.17Å
361	A	97.8	Very high	90.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59.1	-41.3	177.3	0	0	0	0	0	112.4	L215 M292 F343 L356 T357 K363 H364 I367	L215-A361 HydrophobicContact CD1-CB 4.03Å; L215-A361 HydrophobicContact CD2-CB 3.69Å; M292-A361 HydrophobicContact CE-CB 4.04Å; F343-A361 HydrophobicContact CE2-CB 3.91Å; F343-A361 HydrophobicContact CZ-CB 4.33Å; L356-A361 HydrophobicContact CB-CB 4.33Å; L356-A361 HydrophobicContact CD1-CB 4.49Å; T357-A361 WeakPolarHBondContact O-CB 3.34Å; T357-A361 PolarHBondContact O-N 3.05Å; A361-K363 PolarHBondContact O-N 3.24Å; A361-H364 VanDerWaalsContact O-CB 3.25Å; A361-H364 WeakPolarHBondContact O-CB 3.31Å; A361-H364 PolarHBondContact O-N 2.89Å; A361-H364 VanDerWaalsContact O-N 3.1Å; A361-I367 WeakPolarHBondContact O-CG1 3.43Å
362	L	96.8	Very high	88.3	Confident	37 Å²	37	52.7 Å²	52.7	19%	0.194	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-22	172.4	-77.4	167	0	0	0	114.2	L215 D216 K219 A358 Q360 I367 V368	L215-L362 HydrophobicContact CB-CD1 4.33Å; L215-L362 HydrophobicContact CB-CD2 3.67Å; L215-L362 HydrophobicContact CB-CG 3.76Å; L215-L362 HydrophobicContact CD1-CD2 4.26Å; L215-L362 HydrophobicContact CD1-CG 4.42Å; D216-L362 HydrophobicContact CB-CD1 4.34Å; K219-L362 HydrophobicContact CB-CD1 4.36Å; K219-L362 HydrophobicContact CD-CD1 3.49Å; K219-L362 VanDerWaalsContact CD-CD1 3.49Å; A358-L362 WeakPolarHBondContact O-CB 3.18Å; A358-L362 WeakPolarHBondContact O-CG 3.27Å; A358-L362 PolarHBondContact O-N 3.3Å; Q360-L362 VanDerWaalsContact C-N 3.34Å; Q360-L362 PolarHBondContact O-N 3.13Å; L362-I367 HydrophobicContact CD2-CG2 4.49Å; L362-V368 VanDerWaalsContact O-CG2 3.22Å; L362-V368 WeakPolarHBondContact O-CG2 3.39Å
363	K	96.6	Very high	86.2	Confident	170 Å²	170	55.2 Å²	55.2	74%	0.739	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-0.5	176.1	-67.6	179.4	177.6	-173.4	0	113.1	G359 Q360 A361 V368	G359-K363 WeakPolarHBondContact O-CG 3.4Å; Q360-K363 CarbonylContact O-C 3.51Å; Q360-K363 WeakPolarHBondContact O-CA 3.25Å; Q360-K363 WeakPolarHBondContact O-CB 3.43Å; Q360-K363 PolarHBondContact O-N 3.48Å; A361-K363 PolarHBondContact O-N 3.24Å; K363-V368 VanDerWaalsContact C-CG2 3.47Å
364	H	96.5	Very high	84.5	Confident	7 Å²	7	52 Å²	52	3%	0.032	31%	0.311	C	S	.	.	S	Bend	trans	-66	139	-177.5	-160.5	-99.3	0	0	0	111.1	D342 F343 Q360 A361 W366 I367 V368	D342-H364 IonicContact OD2-CE1 3.25Å; D342-H364 PolarHBondContact OD2-CE1 2.88Å; D342-H364 VanDerWaalsContact OD2-CE1 3.24Å; D342-H364 IonicContact OD2-NE2 2.65Å; D342-H364 PolarHBondContact OD2-NE2 3.05Å; F343-H364 VanDerWaalsContact CA-CE1 3.48Å; F343-H364 WeakPolarHBondContact CA-CE1 3.36Å; F343-H364 HydrophobicContact CD2-CB 3.78Å; F343-H364 AromaticContact CD2-CG 3.61Å; F343-H364 AromaticContact CD2-ND1 3.64Å; F343-H364 HydrophobicContact CE2-CB 4.19Å; F343-H364 PolarHBondContact N-CE1 3.33Å; Q360-H364 PolarHBondContact O-N 3.33Å; Q360-H364 VanDerWaalsContact O-N 3.17Å; A361-H364 VanDerWaalsContact O-CB 3.25Å; A361-H364 WeakPolarHBondContact O-CB 3.31Å; A361-H364 PolarHBondContact O-N 2.89Å; A361-H364 VanDerWaalsContact O-N 3.1Å; H364-W366 PolarHBondContact O-N 3.21Å; H364-W366 VanDerWaalsContact O-N 3.1Å; H364-I367 HydrophobicContact CB-CB 4.39Å; H364-I367 HydrophobicContact CB-CG1 4.24Å; H364-I367 WeakPolarHBondContact O-CA 3.29Å; H364-I367 PolarHBondContact O-N 3.21Å; H364-V368 WeakPolarHBondContact O-CG2 3.42Å; H364-V368 PolarHBondContact O-N 3.45Å
365	P	93.7	Very high	82.8	Confident	71 Å²	71	46.7 Å²	46.7	46%	0.461	29%	0.29	S	S	.	.	H	α-helix	trans	-53.2	-38.1	-176.8	-29.9	36.2	0	0	0	114.2	L339 I367 S369	L339-P365 HydrophobicContact CD2-CB 4.41Å; P365-I367 PolarHBondContact O-N 3.04Å; P365-S369 WeakPolarHBondContact O-CB 3.3Å; P365-S369 PolarHBondContact O-N 2.68Å; P365-S369 PolarHBondContact O-OG 2.75Å
366	W	94	Very high	81.3	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60.8	-40.2	174.2	-171.7	59.3	0	0	0	113.6	E204 A207 T208 L211 L303 L339 A340 F343 H364	E204-W366 HydrophobicContact CB-CZ2 4.46Å; E204-W366 PolarHBondContact OE2-NE1 2.9Å; A207-W366 HydrophobicContact CB-CH2 4.23Å; A207-W366 HydrophobicContact CB-CZ2 4.35Å; T208-W366 HydrophobicContact CG2-CD2 3.62Å; T208-W366 VanDerWaalsContact CG2-CE2 3.41Å; T208-W366 HydrophobicContact CG2-CE3 3.96Å; T208-W366 HydrophobicContact CG2-CG 4.19Å; T208-W366 HydrophobicContact CG2-CH2 3.93Å; T208-W366 HydrophobicContact CG2-CZ2 3.56Å; T208-W366 HydrophobicContact CG2-CZ3 4.12Å; T208-W366 WeakPolarHBondContact CG2-O 3.35Å; L211-W366 HydrophobicContact CD1-CH2 3.71Å; L211-W366 HydrophobicContact CD1-CZ3 3.53Å; L303-W366 HydrophobicContact CD1-CH2 4.29Å; L303-W366 HydrophobicContact CD1-CZ2 4.43Å; L303-W366 HydrophobicContact CD2-CH2 4.23Å; L303-W366 HydrophobicContact CD2-CZ2 3.83Å; L303-W366 HydrophobicContact CG-CH2 4.43Å; L303-W366 HydrophobicContact CG-CZ2 4.49Å; L339-W366 HydrophobicContact CB-CB 3.97Å; L339-W366 HydrophobicContact CB-CG 4.31Å; L339-W366 WeakPolarHBondContact O-CB 3.41Å; A340-W366 HydrophobicContact CB-CD2 4.1Å; A340-W366 HydrophobicContact CB-CG 4.35Å; A340-W366 HydrophobicContact CB-CZ2 3.91Å; F343-W366 HydrophobicContact CB-CB 4.35Å; F343-W366 HydrophobicContact CB-CD2 4.36Å; F343-W366 HydrophobicContact CB-CE3 3.77Å; F343-W366 HydrophobicContact CB-CZ3 4.49Å; F343-W366 AromaticContact CD1-CE3 3.53Å; F343-W366 HydrophobicContact CD1-CE3 3.53Å; F343-W366 AromaticContact CD1-CZ3 3.48Å; F343-W366 HydrophobicContact CD1-CZ3 3.48Å; F343-W366 VanDerWaalsContact CD1-CZ3 3.48Å; F343-W366 HydrophobicContact CD2-CE3 4.25Å; F343-W366 HydrophobicContact CE1-CE3 4.17Å; F343-W366 AromaticContact CE1-CZ3 3.87Å; F343-W366 HydrophobicContact CE1-CZ3 3.87Å; F343-W366 AromaticContact CG-CE3 3.57Å; F343-W366 HydrophobicContact CG-CE3 3.57Å; F343-W366 HydrophobicContact CG-CZ3 4.05Å; H364-W366 PolarHBondContact O-N 3.21Å; H364-W366 VanDerWaalsContact O-N 3.1Å
367	I	93.9	Very high	80.3	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-80.6	-38.2	-177.9	-62.9	-67.7	0	0	0	111.3	T208 L211 Q212 L215 F343 A361 L362 H364 P365	T208-I367 HydrophobicContact CG2-CD1 4.29Å; L211-I367 HydrophobicContact CB-CD1 4.04Å; Q212-I367 HydrophobicContact CG-CG2 3.66Å; Q212-I367 PolarHBondContact NE2-O 2.87Å; L215-I367 HydrophobicContact CD1-CD1 4.27Å; L215-I367 HydrophobicContact CD1-CG1 4.45Å; F343-I367 HydrophobicContact CD2-CG1 3.98Å; F343-I367 HydrophobicContact CE1-CD1 4.46Å; F343-I367 HydrophobicContact CE2-CD1 4.13Å; F343-I367 HydrophobicContact CE2-CG1 3.63Å; F343-I367 HydrophobicContact CZ-CD1 4.06Å; F343-I367 HydrophobicContact CZ-CG1 4.09Å; A361-I367 WeakPolarHBondContact O-CG1 3.43Å; L362-I367 HydrophobicContact CD2-CG2 4.49Å; H364-I367 HydrophobicContact CB-CB 4.39Å; H364-I367 HydrophobicContact CB-CG1 4.24Å; H364-I367 WeakPolarHBondContact O-CA 3.29Å; H364-I367 PolarHBondContact O-N 3.21Å; P365-I367 PolarHBondContact O-N 3.04Å
368	V	88	Confident	79.5	Confident	87 Å²	87	60 Å²	60	53%	0.527	35%	0.35	S	S	.	.	H	α-helix	trans	-76.1	-39.1	-177.4	176.7	0	0	0	0	112.3	L362 K363 H364 M370	L362-V368 VanDerWaalsContact O-CG2 3.22Å; L362-V368 WeakPolarHBondContact O-CG2 3.39Å; K363-V368 VanDerWaalsContact C-CG2 3.47Å; H364-V368 WeakPolarHBondContact O-CG2 3.42Å; H364-V368 PolarHBondContact O-N 3.45Å; V368-M370 PolarHBondContact O-N 3.16Å
369	S	73.7	Confident	78.9	Confident	49 Å²	49	60.2 Å²	60.2	34%	0.343	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-4.9	-174.2	59.6	0	0	0	0	115.2	P365 A371 A372	P365-S369 WeakPolarHBondContact O-CB 3.3Å; P365-S369 PolarHBondContact O-N 2.68Å; P365-S369 PolarHBondContact O-OG 2.75Å; S369-A371 PolarHBondContact O-N 3.28Å; S369-A372 PolarHBondContact O-N 3.49Å
370	M	63	Low	78.4	Confident	80 Å²	80	60.1 Å²	60.1	39%	0.394	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.5	26.8	173.7	-69.6	-153.1	73	0	0	115.9	R205 R209 V368	R205-M370 PolarHBondContact NE-O 3.29Å; R209-M370 HydrophobicContact CG-CE 4.38Å; V368-M370 PolarHBondContact O-N 3.16Å
371	A	51.2	Low	77.8	Confident	11 Å²	11	63.8 Å²	63.8	9%	0.091	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	49	54.5	-170.1	0	0	0	0	0	114.4	R205 S369 S374	R205-A371 HydrophobicContact CB-CB 3.55Å; R205-A371 HydrophobicContact CG-CB 3.63Å; S369-A371 PolarHBondContact O-N 3.28Å; A371-S374 VanDerWaalsContact CA-OG 3.31Å; A371-S374 WeakPolarHBondContact CA-OG 3.42Å; A371-S374 VanDerWaalsContact CB-CB 3.41Å; A371-S374 WeakPolarHBondContact CB-OG 3.36Å
372	A	44.2	Very low	77.2	Confident	100 Å²	100	65.3 Å²	65.3	83%	0.826	36%	0.362	S	S	*	.	S	Bend	trans	-65.5	-28.4	153.7	0	0	0	0	0	111.6	S369	S369-A372 PolarHBondContact O-N 3.49Å
373	A	48.6	Very low	76.7	Confident	101 Å²	101	63.6 Å²	63.6	84%	0.835	35%	0.352	S	S	*	.	S	Bend	trans	-131.6	-0.9	179.9	0	0	0	0	0	115
374	S	54.8	Low	76.1	Confident	13 Å²	13	55.8 Å²	55.8	9%	0.091	32%	0.319	C	S	.	.	S	Bend	trans	-74.1	152.1	179.3	-38.7	0	0	0	0	111.7	A371 M376	A371-S374 VanDerWaalsContact CA-OG 3.31Å; A371-S374 WeakPolarHBondContact CA-OG 3.42Å; A371-S374 VanDerWaalsContact CB-CB 3.41Å; A371-S374 WeakPolarHBondContact CB-OG 3.36Å; S374-M376 PolarHBondContact O-N 3.34Å; S374-M376 VanDerWaalsContact O-N 3.09Å
375	S	59.4	Low	75.6	Confident	29 Å²	29	59.6 Å²	59.6	20%	0.203	34%	0.337	C	S	.	.			trans	-47.4	110.6	-176.9	-165.3	0	0	0	0	113.2	S335 K377	S335-S375 PolarHBondContact O-OG 2.93Å; S375-K377 PolarHBondContact O-N 3.39Å; S375-K377 WeakPolarHBondContact OG-CB 3.31Å; S375-K377 WeakPolarHBondContact OG-CD 3.22Å; S375-K377 WeakPolarHBondContact OG-CG 3.43Å
376	M	65.6	Low	75.3	Confident	173 Å²	173	57.4 Å²	57.4	85%	0.852	32%	0.322	S	S	*	.			trans	-74.9	4.3	169.2	-66.2	-157	-63.8	0	0	112.9	S374 N378	S374-M376 PolarHBondContact O-N 3.34Å; S374-M376 VanDerWaalsContact O-N 3.09Å; M376-N378 PolarHBondContact O-N 2.8Å
377	K	77.3	Confident	74.9	Confident	113 Å²	113	58.2 Å²	58.2	49%	0.491	33%	0.326	S	S	.	.			trans	-57.4	130.2	173.3	-67.7	178.9	176.5	177.2	0	109.5	S335 S375 L379	S335-K377 WeakPolarHBondContact OG-CD 3.42Å; S335-K377 PolarHBondContact OG-NZ 3.22Å; S375-K377 PolarHBondContact O-N 3.39Å; S375-K377 WeakPolarHBondContact OG-CB 3.31Å; S375-K377 WeakPolarHBondContact OG-CD 3.22Å; S375-K377 WeakPolarHBondContact OG-CG 3.43Å; K377-L379 HydrophobicContact CB-CD2 4.49Å; K377-L379 PolarHBondContact O-N 2.71Å; K377-L379 VanDerWaalsContact O-N 3.15Å
378	N	82.2	Confident	74.4	Confident	81 Å²	81	62.5 Å²	62.5	43%	0.433	35%	0.348	S	S	.	.			trans	-74.6	104.7	177.4	-173.8	8.5	0	0	0	110.4	G200 S201 F202 M376 Q380	G200-N378 PolarHBondContact O-ND2 2.71Å; S201-N378 VanDerWaalsContact CA-OD1 3.25Å; S201-N378 WeakPolarHBondContact CA-OD1 3.3Å; F202-N378 PolarHBondContact N-OD1 3.25Å; F202-N378 PolarHBondContact O-OD1 2.96Å; M376-N378 PolarHBondContact O-N 2.8Å; N378-Q380 VanDerWaalsContact C-N 3.31Å; N378-Q380 WeakPolarHBondContact OD1-CB 3.42Å; N378-Q380 PolarHBondContact OD1-N 3.31Å; N378-Q380 VanDerWaalsContact OD1-N 3.16Å
379	L	83.8	Confident	74.2	Confident	6 Å²	6	64 Å²	64	3%	0.031	35%	0.348	C	S	.	.			trans	-80.5	-13.3	-179.9	-52.5	-178.1	0	0	0	112.5	F202 E204 P332 V336 K377 R381 C382 I383	F202-L379 PolarHBondContact O-N 3.33Å; E204-L379 HydrophobicContact CG-CD1 4.23Å; P332-L379 HydrophobicContact CB-CD2 4.19Å; V336-L379 HydrophobicContact CG2-CD1 4.17Å; K377-L379 HydrophobicContact CB-CD2 4.49Å; K377-L379 PolarHBondContact O-N 2.71Å; K377-L379 VanDerWaalsContact O-N 3.15Å; L379-R381 VanDerWaalsContact C-N 3.27Å; L379-R381 PolarHBondContact O-N 3.44Å; L379-R381 VanDerWaalsContact O-N 3.14Å; L379-C382 PolarHBondContact O-N 3.42Å; L379-C382 VanDerWaalsContact O-N 3.15Å; L379-I383 HydrophobicContact CB-CD1 3.49Å; L379-I383 VanDerWaalsContact CB-CD1 3.49Å; L379-I383 HydrophobicContact CB-CG1 4.22Å; L379-I383 WeakPolarHBondContact O-CG1 3.48Å; L379-I383 PolarHBondContact O-N 3.47Å
380	Q	87.3	Confident	74.3	Confident	31 Å²	31	63.6 Å²	63.6	15%	0.145	34%	0.339	C	S	.	.	H	α-helix	trans	-52.7	-40.1	-171	-173	-83.9	-3.9	0	0	113.6	I197 R199 F202 N378 C382 S384	I197-Q380 PolarHBondContact O-NE2 3.23Å; R199-Q380 VanDerWaalsContact O-CD 3.24Å; R199-Q380 VanDerWaalsContact O-CG 3.23Å; R199-Q380 WeakPolarHBondContact O-CG 3.39Å; R199-Q380 PolarHBondContact O-NE2 3.23Å; F202-Q380 HydrophobicContact CB-CB 3.94Å; F202-Q380 HydrophobicContact CB-CG 4.39Å; N378-Q380 VanDerWaalsContact C-N 3.31Å; N378-Q380 WeakPolarHBondContact OD1-CB 3.42Å; N378-Q380 PolarHBondContact OD1-N 3.31Å; N378-Q380 VanDerWaalsContact OD1-N 3.16Å; Q380-C382 PolarHBondContact O-N 2.79Å; Q380-S384 PolarHBondContact NE2-OG 3.24Å; Q380-S384 VanDerWaalsContact NE2-OG 3.13Å; Q380-S384 WeakPolarHBondContact O-CB 3.31Å; Q380-S384 PolarHBondContact O-N 3.11Å; Q380-S384 PolarHBondContact O-OG 3.19Å
381	R	85.3	Confident	74.8	Confident	179 Å²	179	62.4 Å²	62.4	68%	0.675	34%	0.342	S	S	*	.	H	α-helix	trans	-62.8	-45.4	-176.9	-176.4	177.4	175.2	119.4	-5.3	111.2	L379 Q385	L379-R381 VanDerWaalsContact C-N 3.27Å; L379-R381 PolarHBondContact O-N 3.44Å; L379-R381 VanDerWaalsContact O-N 3.14Å; R381-Q385 WeakPolarHBondContact O-CB 3.26Å; R381-Q385 WeakPolarHBondContact O-CG 3.42Å; R381-Q385 PolarHBondContact O-N 3.16Å; R381-Q385 VanDerWaalsContact O-N 3.16Å
382	C	85	Confident	75.5	Confident	33 Å²	33	64.9 Å²	64.9	22%	0.223	36%	0.358	C	S	.	.	H	α-helix	trans	-71.6	-48.2	179	-61.3	0	0	0	0	110.9	P332 L379 Q380 S384 Q385 N386	P332-C382 HydrophobicContact CB-CB 3.98Å; P332-C382 HydrophobicContact CG-CB 4.25Å; L379-C382 PolarHBondContact O-N 3.42Å; L379-C382 VanDerWaalsContact O-N 3.15Å; Q380-C382 PolarHBondContact O-N 2.79Å; C382-S384 PolarHBondContact O-N 3.31Å; C382-Q385 PolarHBondContact O-N 3Å; C382-N386 WeakPolarHBondContact O-CB 3.43Å; C382-N386 PolarHBondContact O-N 3.39Å; C382-N386 PolarHBondContact O-ND2 2.93Å
383	I	86.3	Confident	76.3	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-55.5	-52	178.4	-67.2	165.7	0	0	0	110.7	I196 F202 L302 L379 N386 L387	I196-I383 HydrophobicContact CG2-CG2 3.93Å; F202-I383 HydrophobicContact CD1-CD1 3.75Å; F202-I383 HydrophobicContact CE1-CD1 4.32Å; L302-I383 WeakPolarHBondContact O-CD1 3.46Å; L379-I383 HydrophobicContact CB-CD1 3.49Å; L379-I383 VanDerWaalsContact CB-CD1 3.49Å; L379-I383 HydrophobicContact CB-CG1 4.22Å; L379-I383 WeakPolarHBondContact O-CG1 3.48Å; L379-I383 PolarHBondContact O-N 3.47Å; I383-N386 PolarHBondContact O-N 3.49Å; I383-L387 HydrophobicContact CG2-CD1 3.73Å; I383-L387 HydrophobicContact CG2-CG 4.35Å; I383-L387 WeakPolarHBondContact O-CG 3.5Å; I383-L387 PolarHBondContact O-N 3.16Å
384	S	84.6	Confident	76.8	Confident	7 Å²	7	65 Å²	65	5%	0.049	33%	0.326	C	S	.	.	H	α-helix	trans	-68.7	-38.5	-175.6	-52.6	0	0	0	0	112.2	Q380 C382 N386 L388	Q380-S384 PolarHBondContact NE2-OG 3.24Å; Q380-S384 VanDerWaalsContact NE2-OG 3.13Å; Q380-S384 WeakPolarHBondContact O-CB 3.31Å; Q380-S384 PolarHBondContact O-N 3.11Å; Q380-S384 PolarHBondContact O-OG 3.19Å; C382-S384 PolarHBondContact O-N 3.31Å; S384-N386 VanDerWaalsContact C-N 3.32Å; S384-N386 PolarHBondContact O-N 3.1Å; S384-L388 VanDerWaalsContact O-CB 3.26Å; S384-L388 WeakPolarHBondContact O-CB 3.32Å; S384-L388 WeakPolarHBondContact O-CD1 3.37Å; S384-L388 WeakPolarHBondContact O-CG 3.34Å; S384-L388 PolarHBondContact O-N 2.97Å
385	Q	86.7	Confident	76.1	Confident	86 Å²	86	68.1 Å²	68.1	40%	0.402	35%	0.346	S	S	.	.	H	α-helix	trans	-61.5	-41.1	171.9	-77.5	-177.3	12.3	0	0	111.9	R381 C382 K389	R381-Q385 WeakPolarHBondContact O-CB 3.26Å; R381-Q385 WeakPolarHBondContact O-CG 3.42Å; R381-Q385 PolarHBondContact O-N 3.16Å; R381-Q385 VanDerWaalsContact O-N 3.16Å; C382-Q385 PolarHBondContact O-N 3Å; Q385-K389 WeakPolarHBondContact O-CB 3.35Å; Q385-K389 WeakPolarHBondContact O-CD 3.4Å; Q385-K389 WeakPolarHBondContact O-CG 3.36Å; Q385-K389 PolarHBondContact O-N 3.16Å
386	N	86.9	Confident	75	Confident	26 Å²	26	73 Å²	73	14%	0.139	37%	0.366	C	S	.	.	H	α-helix	trans	-69.4	-42.9	-179.6	-69.2	-15.9	0	0	0	111.7	S304 G305 T306 E331 C382 I383 S384 K389 R390	S304-N386 PolarHBondContact O-ND2 3.1Å; G305-N386 CarbonylContact O-C 3.51Å; G305-N386 WeakPolarHBondContact O-CB 3.3Å; T306-N386 HydrophobicContact CG2-CB 3.79Å; E331-N386 PolarHBondContact O-ND2 3.15Å; C382-N386 WeakPolarHBondContact O-CB 3.43Å; C382-N386 PolarHBondContact O-N 3.39Å; C382-N386 PolarHBondContact O-ND2 2.93Å; I383-N386 PolarHBondContact O-N 3.49Å; S384-N386 VanDerWaalsContact C-N 3.32Å; S384-N386 PolarHBondContact O-N 3.1Å; N386-K389 PolarHBondContact O-N 3.39Å; N386-K389 PolarHBondContact OD1-NZ 2.74Å; N386-R390 WeakPolarHBondContact O-CB 3.16Å; N386-R390 PolarHBondContact O-N 3.05Å
387	L	85.4	Confident	73.7	Confident	17 Å²	17	68.7 Å²	68.7	9%	0.089	35%	0.353	C	S	.	.	H	α-helix	trans	-61.5	-44.5	172.9	-67.3	170.1	0	0	0	112.3	F193 I197 I301 G305 I383 R390 A391	F193-L387 HydrophobicContact CB-CD1 4.11Å; F193-L387 HydrophobicContact CD1-CD1 4.07Å; F193-L387 HydrophobicContact CD2-CD2 4.32Å; F193-L387 HydrophobicContact CG-CD1 4.19Å; F193-L387 HydrophobicContact CG-CD2 4.25Å; I197-L387 HydrophobicContact CD1-CB 3.94Å; I197-L387 HydrophobicContact CD1-CD1 4.09Å; I197-L387 HydrophobicContact CG1-CB 4.3Å; I197-L387 HydrophobicContact CG1-CD1 3.88Å; I301-L387 HydrophobicContact CG2-CD2 3.98Å; G305-L387 PolarHBondContact O-N 3.32Å; I383-L387 HydrophobicContact CG2-CD1 3.73Å; I383-L387 HydrophobicContact CG2-CG 4.35Å; I383-L387 WeakPolarHBondContact O-CG 3.5Å; I383-L387 PolarHBondContact O-N 3.16Å; L387-R390 PolarHBondContact O-N 3.02Å; L387-A391 PolarHBondContact O-N 3.05Å
388	L	83.6	Confident	71.8	Confident	90 Å²	90	66.2 Å²	66.2	47%	0.471	35%	0.347	S	S	.	.	H	α-helix	trans	-68.8	-37.8	179.4	-71.9	169.1	0	0	0	112.8	I197 S384 R390 A391 S392	I197-L388 HydrophobicContact CG2-CD1 4.34Å; I197-L388 HydrophobicContact CG2-CD2 4.38Å; I197-L388 HydrophobicContact CG2-CG 4.42Å; S384-L388 VanDerWaalsContact O-CB 3.26Å; S384-L388 WeakPolarHBondContact O-CB 3.32Å; S384-L388 WeakPolarHBondContact O-CD1 3.37Å; S384-L388 WeakPolarHBondContact O-CG 3.34Å; S384-L388 PolarHBondContact O-N 2.97Å; L388-R390 VanDerWaalsContact C-N 3.31Å; L388-R390 PolarHBondContact O-N 3.15Å; L388-A391 PolarHBondContact O-N 2.99Å; L388-S392 WeakPolarHBondContact O-CB 3.39Å; L388-S392 PolarHBondContact O-N 2.93Å; L388-S392 PolarHBondContact O-OG 2.83Å
389	K	83.2	Confident	69.5	Low	120 Å²	120	69.1 Å²	69.1	52%	0.522	36%	0.356	S	S	.	.	H	α-helix	trans	-58.8	-44.5	170.6	-74.4	163.5	-165.7	165.6	0	110.5	Q385 N386 S392 S393	Q385-K389 WeakPolarHBondContact O-CB 3.35Å; Q385-K389 WeakPolarHBondContact O-CD 3.4Å; Q385-K389 WeakPolarHBondContact O-CG 3.36Å; Q385-K389 PolarHBondContact O-N 3.16Å; N386-K389 PolarHBondContact O-N 3.39Å; N386-K389 PolarHBondContact OD1-NZ 2.74Å; K389-S392 WeakPolarHBondContact O-CB 3.24Å; K389-S392 PolarHBondContact O-N 2.87Å; K389-S393 PolarHBondContact O-N 2.9Å; K389-S393 PolarHBondContact O-OG 3.22Å
390	R	76.2	Confident	67	Low	40 Å²	40	74.3 Å²	74.3	15%	0.151	39%	0.393	C	S	.	.	H	α-helix	trans	-67.4	-40.1	-179.9	-169.4	174.8	-177.9	-127.6	-4.5	113.1	M307 E310 N386 L387 L388 S392 S393 R394	M307-R390 PolarHBondContact SD-NH1 3.1Å; M307-R390 PolarHBondContact SD-NH2 3.01Å; E310-R390 IonicContact OE1-CZ 2.93Å; E310-R390 IonicContact OE1-NE 3.71Å; E310-R390 PolarHBondContact OE1-NE 3.28Å; E310-R390 IonicContact OE1-NH2 2.81Å; E310-R390 PolarHBondContact OE1-NH2 3.33Å; E310-R390 IonicContact OE2-NE 2.79Å; E310-R390 PolarHBondContact OE2-NE 3.33Å; N386-R390 WeakPolarHBondContact O-CB 3.16Å; N386-R390 PolarHBondContact O-N 3.05Å; L387-R390 PolarHBondContact O-N 3.02Å; L388-R390 VanDerWaalsContact C-N 3.31Å; L388-R390 PolarHBondContact O-N 3.15Å; R390-S392 VanDerWaalsContact C-N 3.31Å; R390-S392 PolarHBondContact O-N 3.41Å; R390-S393 PolarHBondContact O-OG 2.62Å; R390-S393 VanDerWaalsContact O-OG 3.11Å; R390-R394 PolarHBondContact O-N 2.81Å; R390-R394 VanDerWaalsContact O-N 3.16Å
391	A	72.9	Confident	64.6	Low	55 Å²	55	74.8 Å²	74.8	46%	0.455	40%	0.402	S	S	.	.	H	α-helix	trans	-61.1	-41.4	170.1	0	0	0	0	0	111.5	L387 L388 C395	L387-A391 PolarHBondContact O-N 3.05Å; L388-A391 PolarHBondContact O-N 2.99Å; A391-C395 PolarHBondContact O-N 3.05Å; A391-C395 VanDerWaalsContact O-N 3.1Å; A391-C395 PolarHBondContact O-SG 2.69Å; A391-C395 VanDerWaalsContact O-SG 3.39Å
392	S	66.6	Low	62	Low	63 Å²	63	72.7 Å²	72.7	44%	0.441	40%	0.4	S	S	.	.	H	α-helix	trans	-67.2	-42.7	179.8	-58.6	0	0	0	0	113.1	L388 K389 R390 C395 Q396	L388-S392 WeakPolarHBondContact O-CB 3.39Å; L388-S392 PolarHBondContact O-N 2.93Å; L388-S392 PolarHBondContact O-OG 2.83Å; K389-S392 WeakPolarHBondContact O-CB 3.24Å; K389-S392 PolarHBondContact O-N 2.87Å; R390-S392 VanDerWaalsContact C-N 3.31Å; R390-S392 PolarHBondContact O-N 3.41Å; S392-C395 WeakPolarHBondContact O-CB 3.41Å; S392-C395 PolarHBondContact O-N 2.9Å; S392-Q396 WeakPolarHBondContact O-CG 3.33Å; S392-Q396 PolarHBondContact O-N 2.8Å
393	S	60.3	Low	59.3	Low	65 Å²	65	76.6 Å²	76.6	46%	0.455	43%	0.428	S	S	.	.	H	α-helix	trans	-67.5	-40.9	177.7	61.7	0	0	0	0	112.2	K389 R390 C395 Q396 S397	K389-S393 PolarHBondContact O-N 2.9Å; K389-S393 PolarHBondContact O-OG 3.22Å; R390-S393 PolarHBondContact O-OG 2.62Å; R390-S393 VanDerWaalsContact O-OG 3.11Å; S393-C395 PolarHBondContact O-N 3.18Å; S393-Q396 PolarHBondContact O-N 2.77Å; S393-Q396 VanDerWaalsContact O-N 3.16Å; S393-S397 PolarHBondContact O-N 3.48Å; S393-S397 PolarHBondContact O-OG 3.44Å
394	R	58.6	Low	56.6	Low	138 Å²	138	81.6 Å²	81.6	52%	0.521	46%	0.458	S	S	.	.	H	α-helix	trans	-58.7	-33.2	170.4	-112.5	-178.5	-174.4	-170.2	3.2	112.4	E274 R390 S397	E274-R394 IonicContact OE1-CZ 3.7Å; E274-R394 IonicContact OE1-NH2 3.39Å; E274-R394 PolarHBondContact OE1-NH2 3.43Å; R390-R394 PolarHBondContact O-N 2.81Å; R390-R394 VanDerWaalsContact O-N 3.16Å; R394-S397 PolarHBondContact O-OG 3.21Å
395	C	40.1	Very low	54	Low	78 Å²	78	92.4 Å²	92.4	53%	0.527	50%	0.498	S	S	.	.	H	α-helix	trans	-73.5	-43.7	172.8	-75.6	0	0	0	0	112.5	A391 S392 S393 T398	A391-C395 PolarHBondContact O-N 3.05Å; A391-C395 VanDerWaalsContact O-N 3.1Å; A391-C395 PolarHBondContact O-SG 2.69Å; A391-C395 VanDerWaalsContact O-SG 3.39Å; S392-C395 WeakPolarHBondContact O-CB 3.41Å; S392-C395 PolarHBondContact O-N 2.9Å; S393-C395 PolarHBondContact O-N 3.18Å; C395-T398 PolarHBondContact O-N 2.92Å; C395-T398 VanDerWaalsContact O-N 3.15Å; C395-T398 PolarHBondContact O-OG1 3.15Å
396	Q	36.4	Very low	51.5	Low	133 Å²	133	94.4 Å²	94.4	62%	0.621	52%	0.521	S	S	*	.	H	α-helix	trans	-64.3	-40.1	-178.9	-73.7	178.6	4.6	0	0	112.8	S392 S393 T398 K399	S392-Q396 WeakPolarHBondContact O-CG 3.33Å; S392-Q396 PolarHBondContact O-N 2.8Å; S393-Q396 PolarHBondContact O-N 2.77Å; S393-Q396 VanDerWaalsContact O-N 3.16Å; Q396-T398 PolarHBondContact O-N 3.32Å; Q396-K399 WeakPolarHBondContact O-CB 3.32Å; Q396-K399 PolarHBondContact O-N 3.4Å
397	S	38.8	Very low	48.8	Very low	81 Å²	81	96.7 Å²	96.7	57%	0.566	54%	0.539	S	S	*	.	H	α-helix	trans	-64.6	-9.8	175.7	66.3	0	0	0	0	114.1	S393 R394	S393-S397 PolarHBondContact O-N 3.48Å; S393-S397 PolarHBondContact O-OG 3.44Å; R394-S397 PolarHBondContact O-OG 3.21Å
398	T	37.6	Very low	46.2	Very low	61 Å²	61	105.2 Å²	105.2	37%	0.374	57%	0.571	S	S	.	*	H	α-helix	trans	-91.5	-18.6	169.7	71.9	0	0	0	0	114.1	C395 Q396 A401 Q402	C395-T398 PolarHBondContact O-N 2.92Å; C395-T398 VanDerWaalsContact O-N 3.15Å; C395-T398 PolarHBondContact O-OG1 3.15Å; Q396-T398 PolarHBondContact O-N 3.32Å; T398-A401 PolarHBondContact O-N 3.42Å; T398-Q402 WeakPolarHBondContact O-CG 3.35Å
399	K	32.8	Very low	43.9	Very low	142 Å²	142	106 Å²	106	62%	0.617	58%	0.584	S	S	*	*	H	α-helix	trans	-73.6	-36	-177.4	-70.4	-169.7	174.1	-174.4	0	113.1	Q396 A401 Q402	Q396-K399 WeakPolarHBondContact O-CB 3.32Å; Q396-K399 PolarHBondContact O-N 3.4Å; K399-A401 PolarHBondContact O-N 2.83Å; K399-Q402 WeakPolarHBondContact O-CB 3.42Å; K399-Q402 PolarHBondContact O-N 2.9Å
400	S	32.3	Very low	41.3	Very low	115 Å²	115	106.2 Å²	106.2	80%	0.804	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-1.6	172.4	51.2	0	0	0	0	114.2
401	A	36.9	Very low	39.1	Very low	42 Å²	42	113 Å²	113	35%	0.347	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-116.5	15.1	173.1	0	0	0	0	0	113.5	T398 K399 S403	T398-A401 PolarHBondContact O-N 3.42Å; K399-A401 PolarHBondContact O-N 2.83Å; A401-S403 PolarHBondContact O-N 3.19Å
402	Q	30.6	Very low	37.5	Very low	135 Å²	135	112.3 Å²	112.3	63%	0.631	62%	0.618	S	S	*	*			trans	-90.9	60.7	-175.2	-78	178	-4.7	0	0	114.5	T398 K399	T398-Q402 WeakPolarHBondContact O-CG 3.35Å; K399-Q402 WeakPolarHBondContact O-CB 3.42Å; K399-Q402 PolarHBondContact O-N 2.9Å
403	S	29.3	Very low	36.2	Very low	115 Å²	115	112.5 Å²	112.5	80%	0.804	61%	0.613	S	S	*	*	S	Bend	trans	-115.7	66.2	145.8	-166.1	0	0	0	0	109.8	A401	A401-S403 PolarHBondContact O-N 3.19Å
404	T	29.3	Very low	34.9	Very low	104 Å²	104	119.1 Å²	119.1	64%	0.638	63%	0.634	S	S	*	*	S	Bend	trans	178.5	114.7	160.3	16.6	0	0	0	0	108.3
405	R	30.3	Very low	33.6	Very low	235 Å²	235	115.4 Å²	115.4	89%	0.887	63%	0.633	S	S	*	*			trans	-80.8	138.7	-179.2	-70.3	170.6	76.4	169	2.3	111.2	S407	R405-S407 PolarHBondContact O-N 3.36Å
406	S	32.4	Very low	33.6	Very low	127 Å²	127	116.8 Å²	116.8	89%	0.888	63%	0.627	S	S	*	*	S	Bend	trans	53.2	52.5	158.5	54.3	0	0	0	0	118.4
407	S	30.6	Very low	33.9	Very low	74 Å²	74	120 Å²	120	52%	0.517	63%	0.634	S	S	.	*			trans	-140.7	41.1	176.2	58.7	0	0	0	0	115.3	R405	R405-S407 PolarHBondContact O-N 3.36Å
408	R	31.4	Very low	34.4	Very low	197 Å²	197	117.1 Å²	117.1	74%	0.743	61%	0.613	S	S	*	*			trans	-123.4	79.6	179.7	-71.5	-170.2	179.6	-177.7	3.9	115.3
409	S	34.3	Very low	35.2	Very low	107 Å²	107	122.4 Å²	122.4	75%	0.748	63%	0.626	S	S	*	*			trans	-134.4	7.5	146.9	67.6	0	0	0	0	113.2	K411	S409-K411 VanDerWaalsContact C-N 3.3Å; S409-K411 PolarHBondContact O-N 2.96Å
410	T	28.8	Very low	36.1	Very low	124 Å²	124	119.3 Å²	119.3	76%	0.761	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	17.1	-174.2	43.6	0	0	0	0	114.8
411	K	31.2	Very low	37.1	Very low	182 Å²	182	122.2 Å²	122.2	79%	0.791	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.5	31.6	170.3	-70.6	-168.4	176.3	-177.1	0	113	S409	S409-K411 VanDerWaalsContact C-N 3.3Å; S409-K411 PolarHBondContact O-N 2.96Å
412	S	39.7	Very low	38.1	Very low	41 Å²	41	123.5 Å²	123.5	29%	0.287	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.8	140.8	166.4	-172.1	0	0	0	0	111.4	S120 K414	S120-S412 WeakPolarHBondContact CB-OG 3.38Å; S120-S412 VanDerWaalsContact OG-CB 3.27Å; S120-S412 WeakPolarHBondContact OG-CB 3.38Å; S120-S412 PolarHBondContact OG-OG 3.02Å; S412-K414 PolarHBondContact O-N 3.42Å
413	N	39.3	Very low	39.4	Very low	66 Å²	66	117.4 Å²	117.4	35%	0.353	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	52.6	-36.6	173.2	-70.6	-10.8	0	0	0	119.8	A415 R416	N413-A415 PolarHBondContact O-N 2.87Å; N413-R416 WeakPolarHBondContact O-CA 3.48Å; N413-R416 WeakPolarHBondContact O-CB 3.39Å; N413-R416 PolarHBondContact O-N 3.49Å
414	K	31.7	Very low	40.9	Very low	204 Å²	204	118.9 Å²	118.9	89%	0.887	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-21.2	180	-153.3	170.2	-171.6	175	0	113.1	S412	S412-K414 PolarHBondContact O-N 3.42Å
415	A	32.6	Very low	42.7	Very low	61 Å²	61	117.1 Å²	117.1	50%	0.504	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.6	-7.9	170.2	0	0	0	0	0	114.2	N413	N413-A415 PolarHBondContact O-N 2.87Å
416	R	40.1	Very low	44.3	Very low	106 Å²	106	106.4 Å²	106.4	40%	0.4	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-17.1	-174.2	-144	-175.9	83.1	158.9	4.4	114	N413 V418	N413-R416 WeakPolarHBondContact O-CA 3.48Å; N413-R416 WeakPolarHBondContact O-CB 3.39Å; N413-R416 PolarHBondContact O-N 3.49Å; R416-V418 VanDerWaalsContact C-N 3.31Å; R416-V418 PolarHBondContact O-N 3.49Å; R416-V418 VanDerWaalsContact O-N 3.09Å
417	R	42.6	Very low	45.6	Very low	200 Å²	200	101.3 Å²	101.3	76%	0.755	48%	0.478	S	S	*	.	S	Bend	trans	-68	97.6	147.7	-71	-172	-178.6	-170	1.3	106.9	R419	R417-R419 PolarHBondContact O-N 3.32Å
418	V	49.6	Very low	47.4	Very low	22 Å²	22	104.3 Å²	104.3	13%	0.133	48%	0.478	C	S	.	.			trans	-48.1	127.2	161	-179.9	0	0	0	0	106.4	Y318 R416 E420 L423	Y318-V418 HydrophobicContact CE2-CG1 4.13Å; R416-V418 VanDerWaalsContact C-N 3.31Å; R416-V418 PolarHBondContact O-N 3.49Å; R416-V418 VanDerWaalsContact O-N 3.09Å; V418-E420 WeakPolarHBondContact O-CA 3.18Å; V418-E420 PolarHBondContact O-N 3.05Å; V418-L423 HydrophobicContact CB-CD2 4.39Å; V418-L423 HydrophobicContact CG1-CB 4.04Å; V418-L423 HydrophobicContact CG1-CD2 4.18Å
419	R	53.6	Low	49	Very low	171 Å²	171	101.4 Å²	101.4	65%	0.645	47%	0.467	S	S	*	.			trans	-47.8	108	-169.9	-88.6	-172.6	-74.2	-172.2	-30.6	109.7	R417 K421 E422 L423	R417-R419 PolarHBondContact O-N 3.32Å; R419-K421 VanDerWaalsContact C-N 3.25Å; R419-K421 PolarHBondContact O-N 3.47Å; R419-K421 VanDerWaalsContact O-N 3.14Å; R419-E422 HydrophobicContact CB-CB 4.22Å; R419-E422 HydrophobicContact CB-CG 4.05Å; R419-E422 VanDerWaalsContact CB-OE2 3.26Å; R419-E422 WeakPolarHBondContact CB-OE2 3.26Å; R419-E422 WeakPolarHBondContact CD-OE1 3.46Å; R419-E422 WeakPolarHBondContact CD-OE2 3.44Å; R419-E422 IonicContact CZ-OE1 3.37Å; R419-E422 IonicContact CZ-OE2 3.24Å; R419-E422 VanDerWaalsContact CZ-OE2 3.28Å; R419-E422 IonicContact NE-OE1 3.88Å; R419-E422 PolarHBondContact NE-OE1 3.47Å; R419-E422 IonicContact NE-OE2 3.13Å; R419-E422 PolarHBondContact NE-OE2 2.89Å; R419-E422 IonicContact NH1-OE1 3.4Å; R419-E422 PolarHBondContact NH1-OE1 3.41Å; R419-E422 IonicContact NH1-OE2 3.43Å; R419-E422 IonicContact NH2-OE1 2.74Å; R419-E422 IonicContact NH2-OE2 3.46Å; R419-E422 WeakPolarHBondContact O-CB 3.43Å; R419-E422 PolarHBondContact O-N 3.49Å; R419-L423 PolarHBondContact O-N 3.2Å
420	E	52.3	Low	50.4	Low	78 Å²	78	99.1 Å²	99.1	36%	0.364	44%	0.442	S	S	.	.	H	α-helix	trans	-67.7	-34.5	-150.6	-159	-168.8	152.5	0	0	112.1	R283 V418 R424	R283-E420 IonicContact CZ-OE1 2.95Å; R283-E420 IonicContact NH1-OE1 3.98Å; R283-E420 PolarHBondContact NH1-OE1 3.26Å; R283-E420 PolarHBondContact NH2-O 2.9Å; R283-E420 IonicContact NH2-OE1 2.99Å; V418-E420 WeakPolarHBondContact O-CA 3.18Å; V418-E420 PolarHBondContact O-N 3.05Å; E420-R424 WeakPolarHBondContact O-CB 3.37Å; E420-R424 VanDerWaalsContact O-CG 3.23Å; E420-R424 WeakPolarHBondContact O-CG 3.41Å; E420-R424 PolarHBondContact O-N 2.91Å; E420-R424 IonicContact OE1-CZ 2.9Å; E420-R424 VanDerWaalsContact OE1-CZ 3.28Å; E420-R424 IonicContact OE1-NE 3.7Å; E420-R424 PolarHBondContact OE1-NE 2.97Å; E420-R424 IonicContact OE1-NH2 3.28Å; E420-R424 PolarHBondContact OE1-NH2 2.89Å; E420-R424 IonicContact OE2-NH2 2.71Å
421	K	51.8	Low	51.9	Low	176 Å²	176	97.7 Å²	97.7	77%	0.765	43%	0.427	S	S	*	.	H	α-helix	trans	-60.8	-41.3	173.3	-164.8	176.5	-177.8	-178.6	0	112.7	R419 R424 E425	R419-K421 VanDerWaalsContact C-N 3.25Å; R419-K421 PolarHBondContact O-N 3.47Å; R419-K421 VanDerWaalsContact O-N 3.14Å; K421-R424 PolarHBondContact O-N 2.77Å; K421-E425 WeakPolarHBondContact O-CB 3.45Å; K421-E425 PolarHBondContact O-N 3.09Å
422	E	58.7	Low	53.5	Low	69 Å²	69	95.6 Å²	95.6	32%	0.322	42%	0.42	S	S	.	.	H	α-helix	trans	-69.6	-41.7	-178.5	-65.6	169.4	-174	0	0	111.5	R419 E425 L426	R419-E422 HydrophobicContact CB-CB 4.22Å; R419-E422 HydrophobicContact CB-CG 4.05Å; R419-E422 VanDerWaalsContact CB-OE2 3.26Å; R419-E422 WeakPolarHBondContact CB-OE2 3.26Å; R419-E422 WeakPolarHBondContact CD-OE1 3.46Å; R419-E422 WeakPolarHBondContact CD-OE2 3.44Å; R419-E422 IonicContact CZ-OE1 3.37Å; R419-E422 IonicContact CZ-OE2 3.24Å; R419-E422 VanDerWaalsContact CZ-OE2 3.28Å; R419-E422 IonicContact NE-OE1 3.88Å; R419-E422 PolarHBondContact NE-OE1 3.47Å; R419-E422 IonicContact NE-OE2 3.13Å; R419-E422 PolarHBondContact NE-OE2 2.89Å; R419-E422 IonicContact NH1-OE1 3.4Å; R419-E422 PolarHBondContact NH1-OE1 3.41Å; R419-E422 IonicContact NH1-OE2 3.43Å; R419-E422 IonicContact NH2-OE1 2.74Å; R419-E422 IonicContact NH2-OE2 3.46Å; R419-E422 WeakPolarHBondContact O-CB 3.43Å; R419-E422 PolarHBondContact O-N 3.49Å; E422-E425 PolarHBondContact O-N 3.36Å; E422-L426 WeakPolarHBondContact O-CB 3.48Å; E422-L426 PolarHBondContact O-N 3.38Å
423	L	57.8	Low	54.1	Low	6 Å²	6	100 Å²	100	3%	0.031	44%	0.436	C	S	.	.	H	α-helix	trans	-71.7	-36.7	175.7	-171.1	66.2	0	0	0	111.9	T269 L281 V418 R419 E425 N427	T269-L423 HydrophobicContact CG2-CD2 4.18Å; L281-L423 HydrophobicContact CB-CD1 4.36Å; L281-L423 HydrophobicContact CD2-CD1 4.08Å; L281-L423 WeakPolarHBondContact O-CD1 3.42Å; V418-L423 HydrophobicContact CB-CD2 4.39Å; V418-L423 HydrophobicContact CG1-CB 4.04Å; V418-L423 HydrophobicContact CG1-CD2 4.18Å; R419-L423 PolarHBondContact O-N 3.2Å; L423-E425 VanDerWaalsContact C-N 3.32Å; L423-N427 VanDerWaalsContact O-CB 3.32Å; L423-N427 WeakPolarHBondContact O-CB 3.12Å; L423-N427 PolarHBondContact O-N 3.27Å
424	R	61.2	Low	54.6	Low	146 Å²	146	102.5 Å²	102.5	55%	0.551	44%	0.441	S	S	*	.	H	α-helix	trans	-59.9	-42.7	170.6	-75.6	174	-171.3	-160.6	5.4	111.1	E420 K421 N427 R428	E420-R424 WeakPolarHBondContact O-CB 3.37Å; E420-R424 VanDerWaalsContact O-CG 3.23Å; E420-R424 WeakPolarHBondContact O-CG 3.41Å; E420-R424 PolarHBondContact O-N 2.91Å; E420-R424 IonicContact OE1-CZ 2.9Å; E420-R424 VanDerWaalsContact OE1-CZ 3.28Å; E420-R424 IonicContact OE1-NE 3.7Å; E420-R424 PolarHBondContact OE1-NE 2.97Å; E420-R424 IonicContact OE1-NH2 3.28Å; E420-R424 PolarHBondContact OE1-NH2 2.89Å; E420-R424 IonicContact OE2-NH2 2.71Å; K421-R424 PolarHBondContact O-N 2.77Å; R424-N427 PolarHBondContact O-N 2.86Å; R424-R428 WeakPolarHBondContact O-CB 3.49Å; R424-R428 PolarHBondContact O-N 2.87Å
425	E	66.4	Low	55.3	Low	67 Å²	67	99.5 Å²	99.5	31%	0.313	44%	0.435	S	S	.	.	H	α-helix	trans	-70.8	-41.2	179.2	-172	177.8	169.5	0	0	112.8	K421 E422 L423 N427 R428 R429	K421-E425 WeakPolarHBondContact O-CB 3.45Å; K421-E425 PolarHBondContact O-N 3.09Å; E422-E425 PolarHBondContact O-N 3.36Å; L423-E425 VanDerWaalsContact C-N 3.32Å; E425-N427 VanDerWaalsContact C-N 3.31Å; E425-N427 PolarHBondContact O-N 3.27Å; E425-R428 PolarHBondContact O-N 3.33Å; E425-R429 HydrophobicContact CG-CG 4.48Å; E425-R429 WeakPolarHBondContact O-CB 3.33Å; E425-R429 WeakPolarHBondContact O-CG 3.39Å; E425-R429 PolarHBondContact O-N 3.47Å; E425-R429 IonicContact OE1-CZ 2.83Å; E425-R429 VanDerWaalsContact OE1-CZ 3.25Å; E425-R429 IonicContact OE1-NE 2.97Å; E425-R429 PolarHBondContact OE1-NE 3.15Å; E425-R429 IonicContact OE1-NH2 2.69Å; E425-R429 PolarHBondContact OE1-NH2 3.31Å
426	L	64.3	Low	55.5	Low	11 Å²	11	102.9 Å²	102.9	6%	0.058	48%	0.476	C	S	.	.	H	α-helix	trans	-59.5	-44.4	173.5	-177.6	62.7	0	0	0	110.9	M315 Y318 R319 L322 E422 R429 Y430	M315-L426 HydrophobicContact CE-CB 4Å; M315-L426 HydrophobicContact CE-CD1 4.2Å; M315-L426 HydrophobicContact CE-CG 4.46Å; M315-L426 HydrophobicContact SD-CD2 4.41Å; Y318-L426 HydrophobicContact CD2-CD2 4.14Å; Y318-L426 HydrophobicContact CG-CD2 4.32Å; R319-L426 HydrophobicContact CG-CD1 4.32Å; L322-L426 HydrophobicContact CD1-CD2 3.97Å; L322-L426 HydrophobicContact CD1-CG 4.17Å; E422-L426 WeakPolarHBondContact O-CB 3.48Å; E422-L426 PolarHBondContact O-N 3.38Å; L426-R429 PolarHBondContact O-N 3Å; L426-Y430 WeakPolarHBondContact O-CB 3.47Å; L426-Y430 PolarHBondContact O-N 2.92Å
427	N	60.1	Low	56.3	Low	20 Å²	20	102.8 Å²	102.8	11%	0.107	48%	0.48	C	S	.	.	H	α-helix	trans	-63.7	-45.5	177.1	-168.5	33.6	0	0	0	112.1	V282 L423 R424 E425 R429 Y430 Q431	V282-N427 VanDerWaalsContact CA-OD1 3.27Å; V282-N427 WeakPolarHBondContact CA-OD1 3.25Å; V282-N427 VanDerWaalsContact CB-OD1 3.22Å; V282-N427 WeakPolarHBondContact CB-OD1 3.23Å; V282-N427 WeakPolarHBondContact CG1-OD1 3.44Å; V282-N427 PolarHBondContact O-ND2 3.16Å; V282-N427 PolarHBondContact O-OD1 3.42Å; L423-N427 VanDerWaalsContact O-CB 3.32Å; L423-N427 WeakPolarHBondContact O-CB 3.12Å; L423-N427 PolarHBondContact O-N 3.27Å; R424-N427 PolarHBondContact O-N 2.86Å; E425-N427 VanDerWaalsContact C-N 3.31Å; E425-N427 PolarHBondContact O-N 3.27Å; N427-R429 PolarHBondContact O-N 2.85Å; N427-Y430 PolarHBondContact O-N 3.05Å; N427-Y430 VanDerWaalsContact O-N 3.15Å; N427-Q431 WeakPolarHBondContact O-CG 3.34Å; N427-Q431 PolarHBondContact O-N 2.76Å
428	R	67.1	Low	57	Low	136 Å²	136	97.6 Å²	97.6	51%	0.513	47%	0.466	S	S	.	.	H	α-helix	trans	-56.8	-48.2	175.2	-173.6	-173.4	65.9	-179.7	-2.8	111.2	R424 E425 Y430 Q431 Q432	R424-R428 WeakPolarHBondContact O-CB 3.49Å; R424-R428 PolarHBondContact O-N 2.87Å; E425-R428 PolarHBondContact O-N 3.33Å; R428-Y430 VanDerWaalsContact C-N 3.32Å; R428-Y430 PolarHBondContact O-N 3.15Å; R428-Q431 PolarHBondContact O-N 3.29Å; R428-Q432 HydrophobicContact CG-CG 4.46Å; R428-Q432 WeakPolarHBondContact O-CB 3.17Å; R428-Q432 WeakPolarHBondContact O-CG 3.37Å; R428-Q432 PolarHBondContact O-N 2.93Å; R428-Q432 PolarHBondContact O-OE1 3.02Å
429	R	66.8	Low	57.4	Low	136 Å²	136	101.8 Å²	101.8	51%	0.513	48%	0.484	S	S	.	.	H	α-helix	trans	-63.7	-35.4	177.4	-70.3	175.6	-176	-121.8	10.9	112.3	E425 L426 N427 Q433	E425-R429 HydrophobicContact CG-CG 4.48Å; E425-R429 WeakPolarHBondContact O-CB 3.33Å; E425-R429 WeakPolarHBondContact O-CG 3.39Å; E425-R429 PolarHBondContact O-N 3.47Å; E425-R429 IonicContact OE1-CZ 2.83Å; E425-R429 VanDerWaalsContact OE1-CZ 3.25Å; E425-R429 IonicContact OE1-NE 2.97Å; E425-R429 PolarHBondContact OE1-NE 3.15Å; E425-R429 IonicContact OE1-NH2 2.69Å; E425-R429 PolarHBondContact OE1-NH2 3.31Å; L426-R429 PolarHBondContact O-N 3Å; N427-R429 PolarHBondContact O-N 2.85Å; R429-Q433 VanDerWaalsContact O-CB 3.28Å; R429-Q433 WeakPolarHBondContact O-CB 3.13Å; R429-Q433 PolarHBondContact O-N 3.39Å
430	Y	63	Low	57.6	Low	60 Å²	60	97.8 Å²	97.8	24%	0.235	48%	0.475	C	S	.	.	H	α-helix	trans	-68.3	-48	176.1	-174.1	-88.5	0	0	0	111.4	V282 L322 L426 N427 R428 Q432 Q433 Y434	V282-Y430 HydrophobicContact CG1-CD1 3.99Å; V282-Y430 HydrophobicContact CG1-CE1 4.21Å; L322-Y430 HydrophobicContact CB-CD2 4.27Å; L322-Y430 HydrophobicContact CB-CE2 3.89Å; L322-Y430 HydrophobicContact CD1-CD2 4.2Å; L322-Y430 PolarHBondContact O-OH 3.13Å; L426-Y430 WeakPolarHBondContact O-CB 3.47Å; L426-Y430 PolarHBondContact O-N 2.92Å; N427-Y430 PolarHBondContact O-N 3.05Å; N427-Y430 VanDerWaalsContact O-N 3.15Å; R428-Y430 VanDerWaalsContact C-N 3.32Å; R428-Y430 PolarHBondContact O-N 3.15Å; Y430-Q432 VanDerWaalsContact C-N 3.35Å; Y430-Q432 PolarHBondContact O-N 3.48Å; Y430-Q433 PolarHBondContact O-N 3.16Å; Y430-Y434 HydrophobicContact CD2-CD2 4.1Å; Y430-Y434 HydrophobicContact CD2-CE2 4.21Å; Y430-Y434 HydrophobicContact CE1-CD2 4.42Å; Y430-Y434 HydrophobicContact CE2-CD2 4.03Å; Y430-Y434 HydrophobicContact CE2-CE2 4.04Å; Y430-Y434 HydrophobicContact CG-CD2 4.35Å; Y430-Y434 WeakPolarHBondContact O-CD2 3.2Å; Y430-Y434 PolarHBondContact O-N 3.14Å
431	Q	59.4	Low	58	Low	94 Å²	94	99 Å²	99	44%	0.439	48%	0.481	S	S	.	.	H	α-helix	trans	-59.5	-44.7	174.9	-70	173	-30.8	0	0	111.3	N427 R428 Q433 Y434 N435	N427-Q431 WeakPolarHBondContact O-CG 3.34Å; N427-Q431 PolarHBondContact O-N 2.76Å; R428-Q431 PolarHBondContact O-N 3.29Å; Q431-Q433 PolarHBondContact O-N 3.29Å; Q431-Q433 VanDerWaalsContact O-N 3.13Å; Q431-Y434 PolarHBondContact O-N 2.96Å; Q431-N435 WeakPolarHBondContact O-CB 3.47Å; Q431-N435 PolarHBondContact O-N 3.34Å
432	Q	66.3	Low	58.4	Low	137 Å²	137	93.9 Å²	93.9	64%	0.64	46%	0.463	S	S	*	.	H	α-helix	trans	-64.6	-12	175	-72.5	174.5	-46.9	0	0	114.8	R428 Y430	R428-Q432 HydrophobicContact CG-CG 4.46Å; R428-Q432 WeakPolarHBondContact O-CB 3.17Å; R428-Q432 WeakPolarHBondContact O-CG 3.37Å; R428-Q432 PolarHBondContact O-N 2.93Å; R428-Q432 PolarHBondContact O-OE1 3.02Å; Y430-Q432 VanDerWaalsContact C-N 3.35Å; Y430-Q432 PolarHBondContact O-N 3.48Å
433	Q	51.8	Low	58.4	Low	135 Å²	135	95.6 Å²	95.6	63%	0.631	47%	0.473	S	S	*	.	H	α-helix	trans	-109.6	-7.1	-177.8	-173.6	163.1	42.3	0	0	113.3	R429 Y430 Q431	R429-Q433 VanDerWaalsContact O-CB 3.28Å; R429-Q433 WeakPolarHBondContact O-CB 3.13Å; R429-Q433 PolarHBondContact O-N 3.39Å; Y430-Q433 PolarHBondContact O-N 3.16Å; Q431-Q433 PolarHBondContact O-N 3.29Å; Q431-Q433 VanDerWaalsContact O-N 3.13Å
434	Y	49.9	Very low	58.4	Low	117 Å²	117	102.5 Å²	102.5	46%	0.459	51%	0.507	S	S	.	.	H	α-helix	trans	-141.3	-4.8	-174.4	-70.8	-78	0	0	0	114.9	K323 Y430 Q431	K323-Y434 WeakPolarHBondContact CE-OH 3.37Å; K323-Y434 PolarHBondContact NZ-OH 2.9Å; K323-Y434 VanDerWaalsContact NZ-OH 3.1Å; Y430-Y434 HydrophobicContact CD2-CD2 4.1Å; Y430-Y434 HydrophobicContact CD2-CE2 4.21Å; Y430-Y434 HydrophobicContact CE1-CD2 4.42Å; Y430-Y434 HydrophobicContact CE2-CD2 4.03Å; Y430-Y434 HydrophobicContact CE2-CE2 4.04Å; Y430-Y434 HydrophobicContact CG-CD2 4.35Å; Y430-Y434 WeakPolarHBondContact O-CD2 3.2Å; Y430-Y434 PolarHBondContact O-N 3.14Å; Q431-Y434 PolarHBondContact O-N 2.96Å
435	N	44.9	Very low	58.2	Low	141 Å²	141	98.9 Å²	98.9	75%	0.754	50%	0.503	S	S	*	.			trans	-119.4	30.6	172.4	-76.7	64.8	0	0	0	111.5	Q431	Q431-N435 WeakPolarHBondContact O-CB 3.47Å; Q431-N435 PolarHBondContact O-N 3.34Å
436	G	37.9	Very low	57.4	Low	133 Å²	133	101.8 Å²	101.8	100%	1.371	52%	0.52	S	S	*	.			trans	-139.7	0	177.3	0	0	0	0	0	110.4

Retrieved 436 of 436 residues in 351.6 ms (Link to these results)

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