A0A087XTT0_POEFO Loading...

Mitochondrial disaggregase

Functions as a regulatory ATPase and participates in secretion/protein trafficking process. Has ATP-dependent protein disaggregase activity and is required to maintain the solubility of key mitochondrial proteins. Involved in mitochondrial-mediated antiviral innate immunity, activates RIG-I-mediated signal transduction and production of IFNB1 and pro-inflammatory cytokine IL6. Plays a role in granulocyte differentiation.

AlphaFold DB , UniProt , Accession A0A087XTT0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 678 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.9	Very low	31.7	Very low	238 Å²	238	145.5 Å²	145.5	100%	1.172	80%	0.801	S	S	*	*				0	112.2	0	-61.5	-179	179.5	0	0	106.1
2	L	29.5	Very low	31.2	Very low	175 Å²	175	150.4 Å²	150.4	92%	0.916	80%	0.799	S	S	*	*				63.8	97	74.3	-79	176.8	0	0	0	114.2
3	S	27.9	Very low	30.8	Very low	108 Å²	108	156.8 Å²	156.8	76%	0.755	81%	0.805	S	S	*	*			trans	177.7	111.2	133	33.8	0	0	0	0	107.6
4	S	34	Very low	30.4	Very low	108 Å²	108	153.6 Å²	153.6	76%	0.755	80%	0.804	S	S	*	*				60.2	128.3	79.3	67.4	0	0	0	0	112.6
5	V	32	Very low	30.2	Very low	136 Å²	136	159.1 Å²	159.1	82%	0.824	81%	0.809	S	S	*	*				-166	161.1	74.2	149.7	0	0	0	0	111
6	P	41.6	Very low	29.9	Very low	98 Å²	98	155.1 Å²	155.1	64%	0.636	80%	0.801	S	S	*	*			trans	-139	-174.4	-148.1	40.8	-21	0	0	0	118.9
7	T	34.8	Very low	29.7	Very low	116 Å²	116	156.1 Å²	156.1	71%	0.712	81%	0.807	S	S	*	*			trans	81.6	148.8	141.1	42.2	0	0	0	0	125.8
8	R	31.6	Very low	29.6	Very low	216 Å²	216	153.3 Å²	153.3	82%	0.815	80%	0.803	S	S	*	*			trans	89.2	145.7	155.3	-74	156.3	-172	-153.4	3.4	116.7
9	L	27	Very low	30	Very low	143 Å²	143	151.1 Å²	151.1	75%	0.749	80%	0.798	S	S	*	*			cis	-133.5	138.8	29.8	-67	156.8	0	0	0	113.2
10	L	29.3	Very low	29.7	Very low	142 Å²	142	149.9 Å²	149.9	74%	0.743	80%	0.801	S	S	*	*				63	142.9	109.2	-54.2	178.7	0	0	0	116.4
11	T	28.1	Very low	29.5	Very low	120 Å²	120	146.3 Å²	146.3	74%	0.736	80%	0.8	S	S	*	*			cis	-165.7	172.2	-2.4	22.7	0	0	0	0	107
12	R	25.5	Very low	29.2	Very low	205 Å²	205	146.9 Å²	146.9	77%	0.774	79%	0.789	S	S	*	*			cis	-171.1	132.9	38.2	-149.2	177	-165.1	-166.8	6.6	112.8
13	R	26.2	Very low	29	Very low	234 Å²	234	144.3 Å²	144.3	88%	0.883	78%	0.781	S	S	*	*			trans	59.5	150.1	147	-76.1	-177.5	176.2	-178.5	-1.6	123.3
14	S	25.9	Very low	28.9	Very low	112 Å²	112	147.6 Å²	147.6	78%	0.783	79%	0.788	S	S	*	*			trans	-128.8	166.8	-172.2	51.6	0	0	0	0	112.3
15	R	26.5	Very low	28.6	Very low	235 Å²	235	150.6 Å²	150.6	89%	0.887	79%	0.791	S	S	*	*			trans	179.8	107	148.9	-98.4	168.4	-175.3	-153.4	-0.8	107
16	S	25.3	Very low	28.3	Very low	96 Å²	96	150.4 Å²	150.4	67%	0.671	79%	0.79	S	S	*	*				70.4	115.4	77	74	0	0	0	0	114.5
17	L	27.1	Very low	27.6	Very low	172 Å²	172	150.7 Å²	150.7	90%	0.901	80%	0.795	S	S	*	*				171.8	125.1	125.5	-91.9	161.5	0	0	0	110.9
18	S	27.6	Very low	27.1	Very low	106 Å²	106	149.6 Å²	149.6	74%	0.741	80%	0.797	S	S	*	*			trans	-108.4	158.4	150.2	55.5	0	0	0	0	107.3
19	P	36.6	Very low	26.8	Very low	110 Å²	110	145.5 Å²	145.5	71%	0.714	80%	0.801	S	S	*	*				-154.1	176.1	103.3	41	-24.1	0	0	0	116.2
20	C	25.6	Very low	26.8	Very low	127 Å²	127	142.5 Å²	142.5	86%	0.858	81%	0.805	S	S	*	*			trans	68	117.5	156.7	-66.3	0	0	0	0	119.4
21	G	24.4	Very low	26.5	Very low	75 Å²	75	139.7 Å²	139.7	77%	0.773	80%	0.802	S	S	*	*			trans	-90.2	175.8	159.3	0	0	0	0	0	112.6
22	R	25.9	Very low	26.4	Very low	251 Å²	251	140.7 Å²	140.7	95%	0.947	81%	0.809	S	S	*	*			trans	-141.1	127.9	159	-113.6	-178.3	-174.1	-179.6	2.3	110.2
23	V	27	Very low	26.3	Very low	121 Å²	121	134.3 Å²	134.3	73%	0.733	81%	0.806	S	S	*	*			trans	-79.1	140.3	169.1	172.1	0	0	0	0	108.7	Q25	V23-Q25 HydrophobicContact CG1-CG 4.44Å
24	L	25.9	Very low	26.3	Very low	176 Å²	176	132.4 Å²	132.4	92%	0.921	81%	0.807	S	S	*	*			trans	-142.7	120	148	-94.6	175.6	0	0	0	109.1
25	Q	26.1	Very low	26.1	Very low	171 Å²	171	132.1 Å²	132.1	80%	0.799	80%	0.804	S	S	*	*			trans	-95	142.1	165.8	-64.4	169.5	-61.1	0	0	109	V23	V23-Q25 HydrophobicContact CG1-CG 4.44Å
26	T	27	Very low	25.9	Very low	133 Å²	133	129.1 Å²	129.1	82%	0.816	80%	0.798	S	S	*	*			trans	-165.5	107.6	142.6	37.1	0	0	0	0	106.3
27	S	25.6	Very low	25.8	Very low	104 Å²	104	132.9 Å²	132.9	73%	0.727	80%	0.798	S	S	*	*				74.5	93.9	72.7	74.7	0	0	0	0	115.2
28	A	25.7	Very low	25.6	Very low	92 Å²	92	131.3 Å²	131.3	76%	0.76	79%	0.786	S	S	*	*				63.7	147.5	128.7	0	0	0	0	0	123.2
29	S	25.6	Very low	25.4	Very low	130 Å²	130	133.5 Å²	133.5	91%	0.909	79%	0.794	S	S	*	*			trans	76.3	144.3	158.2	77.8	0	0	0	0	118.3
30	G	25.1	Very low	24.8	Very low	80 Å²	80	137.5 Å²	137.5	83%	0.825	80%	0.804	S	S	*	*			trans	148.4	69.2	177.7	0	0	0	0	0	114.1
31	A	24.8	Very low	24.8	Very low	83 Å²	83	136.5 Å²	136.5	69%	0.686	81%	0.805	S	S	*	*			trans	-56.6	153.6	-174.6	0	0	0	0	0	117.2
32	T	25.3	Very low	24.7	Very low	142 Å²	142	141.2 Å²	141.2	87%	0.871	81%	0.807	S	S	*	*			trans	54.6	136.3	137.7	55	0	0	0	0	122.1
33	G	24	Very low	24.7	Very low	70 Å²	70	134.7 Å²	134.7	72%	0.722	80%	0.795	S	S	*	*				135	102.2	124.5	0	0	0	0	0	117.6
34	Q	24.9	Very low	24.6	Very low	194 Å²	194	135.8 Å²	135.8	91%	0.907	80%	0.796	S	S	*	*			trans	26.6	120.6	134.8	-70	175.9	-13.6	0	0	119
35	C	22.6	Very low	24.6	Very low	107 Å²	107	139.1 Å²	139.1	72%	0.723	80%	0.797	S	S	*	*				108.5	165.6	68.3	-165.5	0	0	0	0	110.1
36	F	22.4	Very low	24.5	Very low	171 Å²	171	138.8 Å²	138.8	75%	0.75	80%	0.8	S	S	*	*			trans	70.2	153.4	-176.6	-70.7	-104.4	0	0	0	116.9
37	R	22.5	Very low	24.7	Very low	176 Å²	176	138.4 Å²	138.4	66%	0.664	80%	0.8	S	S	*	*			cis	-170.2	154.7	-38	-151.9	175	167.5	168.9	-10.4	107.4
38	E	23.8	Very low	24.7	Very low	139 Å²	139	141.2 Å²	141.2	65%	0.65	81%	0.805	S	S	*	*			trans	30.8	126.7	153	-75.2	151	-159	0	0	120.5
39	T	23.2	Very low	24.7	Very low	151 Å²	151	142.8 Å²	142.8	93%	0.926	81%	0.805	S	S	*	*				-162.9	156.1	111.5	12.8	0	0	0	0	112.4
40	Q	23	Very low	24.6	Very low	194 Å²	194	142 Å²	142	91%	0.907	80%	0.8	S	S	*	*			trans	-94.1	153.6	-176.8	-60.4	172.5	-19.2	0	0	111.4
41	A	25.1	Very low	24.6	Very low	107 Å²	107	144.3 Å²	144.3	88%	0.884	80%	0.798	S	S	*	*			trans	-153.3	136	156	0	0	0	0	0	112.9
42	E	23.6	Very low	24.6	Very low	174 Å²	174	145.7 Å²	145.7	81%	0.813	80%	0.803	S	S	*	*			trans	-72.4	146.4	-165.4	-71.7	174.7	136.5	0	0	119
43	T	25	Very low	24.6	Very low	113 Å²	113	150.8 Å²	150.8	69%	0.693	81%	0.806	S	S	*	*			trans	71.5	139.7	131.3	66.3	0	0	0	0	124.4
44	N	24.7	Very low	24.8	Very low	144 Å²	144	154.2 Å²	154.2	77%	0.77	81%	0.812	S	S	*	*			trans	61.7	101.3	140.2	-67.9	-21.1	0	0	0	120.7
45	R	26	Very low	24.8	Very low	247 Å²	247	150.1 Å²	150.1	93%	0.932	81%	0.805	S	S	*	*			trans	-160.5	123.3	132.5	-104.5	155.7	-163.6	-154.5	4.4	111.1
46	N	24.2	Very low	25.1	Very low	163 Å²	163	156.5 Å²	156.5	87%	0.872	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-74	131.9	168.5	-72.1	-24.1	0	0	0	109.8
47	P	31.3	Very low	25.1	Very low	125 Å²	125	160.2 Å²	160.2	81%	0.812	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-82.8	143.8	174	32.1	-32.5	0	0	0	112.1
48	I	25.9	Very low	25.2	Very low	163 Å²	163	155.1 Å²	155.1	84%	0.836	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-72.9	149.1	175.6	-70.9	163.7	0	0	0	110.3	S50	I48-S50 PolarHBondContact O-N 3.38Å
49	V	25.9	Very low	25.3	Very low	126 Å²	126	156.8 Å²	156.8	76%	0.764	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-56	128.8	174.5	176	0	0	0	0	111.3	T51	V49-T51 HydrophobicContact CG1-CG2 4.1Å
50	S	23.9	Very low	25.3	Very low	113 Å²	113	157.3 Å²	157.3	79%	0.79	83%	0.833	S	S	*	*			trans	-132.8	125.9	156.9	-173.1	0	0	0	0	109.9	I48	I48-S50 PolarHBondContact O-N 3.38Å
51	T	24.9	Very low	25.5	Very low	129 Å²	129	153.3 Å²	153.3	79%	0.791	83%	0.827	S	S	*	*			trans	-106.7	118.4	-179.7	49.3	0	0	0	0	109.4	V49	V49-T51 HydrophobicContact CG1-CG2 4.1Å
52	S	24.8	Very low	25.4	Very low	112 Å²	112	157.5 Å²	157.5	78%	0.783	83%	0.828	S	S	*	*			trans	-149.7	137	162.4	59.4	0	0	0	0	111.5
53	R	26	Very low	25.6	Very low	249 Å²	249	158.5 Å²	158.5	94%	0.94	83%	0.833	S	S	*	*			trans	-81	135.3	-177.8	-60.3	164.9	172.1	163.8	-5	109.9
54	V	27.6	Very low	25.6	Very low	141 Å²	141	159.6 Å²	159.6	86%	0.855	84%	0.84	S	S	*	*			trans	-136.9	136.8	151.9	-178.1	0	0	0	0	111.7
55	S	25.5	Very low	25.5	Very low	108 Å²	108	156.8 Å²	156.8	76%	0.755	84%	0.837	S	S	*	*			trans	-19.8	145.6	171.1	-157.4	0	0	0	0	120.8
56	R	26.9	Very low	25.6	Very low	242 Å²	242	152 Å²	152	91%	0.913	83%	0.834	S	S	*	*			trans	-76.5	122	157.8	-76.1	178.4	168.9	-177.8	-4.6	110.5
57	R	24.1	Very low	25.5	Very low	248 Å²	248	149.9 Å²	149.9	94%	0.936	83%	0.827	S	S	*	*			trans	-164.3	129.6	137.9	-113.1	175.4	-173.3	-171	1.9	111.7
58	G	24.2	Very low	25.3	Very low	70 Å²	70	149.3 Å²	149.3	72%	0.722	83%	0.827	S	S	*	*			trans	12.4	127.6	167.9	0	0	0	0	0	121.4
59	I	24.6	Very low	25.2	Very low	174 Å²	174	147.5 Å²	147.5	89%	0.892	82%	0.823	S	S	*	*				-158.5	141.8	119.4	-94.4	145.8	0	0	0	107
60	L	25.1	Very low	25.2	Very low	161 Å²	161	148 Å²	148	84%	0.843	82%	0.821	S	S	*	*			trans	-98.9	166.5	173.1	-98.6	164.3	0	0	0	109.7
61	S	25.3	Very low	25.5	Very low	110 Å²	110	147.8 Å²	147.8	77%	0.769	82%	0.817	S	S	*	*			trans	60.5	103.2	169.7	57.5	0	0	0	0	118
62	E	24.8	Very low	25.6	Very low	196 Å²	196	146.1 Å²	146.1	92%	0.916	81%	0.811	S	S	*	*				-144.4	136.4	123.1	-119.3	172.3	-170.9	0	0	109
63	E	26.9	Very low	26	Very low	194 Å²	194	145.1 Å²	145.1	91%	0.907	80%	0.8	S	S	*	*			trans	-87.3	126	-179	-65.7	177.1	133.4	0	0	110.2
64	T	24.2	Very low	26.2	Very low	136 Å²	136	140.6 Å²	140.6	83%	0.834	79%	0.79	S	S	*	*			trans	-142.3	131.6	159.5	46.4	0	0	0	0	113.2
65	A	22.8	Very low	26.9	Very low	86 Å²	86	142.2 Å²	142.2	71%	0.711	78%	0.781	S	S	*	*			trans	51	113.7	147.1	0	0	0	0	0	120.1	T67	A65-T67 PolarHBondContact O-N 2.92Å
66	V	28.4	Very low	27.3	Very low	145 Å²	145	144.2 Å²	144.2	88%	0.879	78%	0.778	S	S	*	*			trans	-46.5	110.4	155.9	176.8	0	0	0	0	110.8
67	T	22.3	Very low	27.6	Very low	119 Å²	119	139.6 Å²	139.6	73%	0.73	77%	0.767	S	S	*	*			trans	-133.5	111.6	155.6	27.6	0	0	0	0	108.5	A65 V69	A65-T67 PolarHBondContact O-N 2.92Å; T67-V69 VanDerWaalsContact C-N 3.3Å; T67-V69 PolarHBondContact O-N 3.36Å
68	S	27	Very low	28.2	Very low	114 Å²	114	134.5 Å²	134.5	80%	0.797	76%	0.758	S	S	*	*			trans	-73	81.4	179.4	51.9	0	0	0	0	110.8	N70	S68-N70 PolarHBondContact O-N 3.07Å; S68-N70 VanDerWaalsContact O-N 3.16Å
69	V	24.7	Very low	29	Very low	125 Å²	125	133.5 Å²	133.5	76%	0.758	74%	0.742	S	S	*	*			trans	-76.3	97.7	167.1	-177.9	0	0	0	0	107.9	T67 P71	T67-V69 VanDerWaalsContact C-N 3.3Å; T67-V69 PolarHBondContact O-N 3.36Å; V69-P71 WeakPolarHBondContact O-CD 3.2Å
70	N	25.7	Very low	29.7	Very low	135 Å²	135	129.6 Å²	129.6	72%	0.722	73%	0.729	S	S	*	*			trans	-57	115.4	169.6	-102.3	-19.4	0	0	0	109.5	S68 S72	S68-N70 PolarHBondContact O-N 3.07Å; S68-N70 VanDerWaalsContact O-N 3.16Å; N70-S72 PolarHBondContact O-N 3.09Å
71	P	29.1	Very low	30.1	Very low	110 Å²	110	131.6 Å²	131.6	71%	0.714	73%	0.725	S	S	*	*			trans	-84.8	55.3	170.8	37	-31.1	0	0	0	108.7	V69 V73	V69-P71 WeakPolarHBondContact O-CD 3.2Å; P71-V73 PolarHBondContact O-N 3.14Å
72	S	26.9	Very low	30.7	Very low	94 Å²	94	132.8 Å²	132.8	66%	0.657	71%	0.713	S	S	*	*			trans	-72.7	63.9	168.2	48.5	0	0	0	0	109.4	N70 Q74	N70-S72 PolarHBondContact O-N 3.09Å; S72-Q74 PolarHBondContact O-N 3.15Å
73	V	35.1	Very low	31.3	Very low	91 Å²	91	128.2 Å²	128.2	55%	0.552	69%	0.694	S	S	*	*			trans	-59.1	104.6	169.5	177.7	0	0	0	0	106.6	P71 Y75	P71-V73 PolarHBondContact O-N 3.14Å; V73-Y75 VanDerWaalsContact C-N 3.31Å; V73-Y75 HydrophobicContact CB-CD2 4.37Å; V73-Y75 HydrophobicContact CB-CE2 4.06Å; V73-Y75 HydrophobicContact CG1-CD2 4.35Å; V73-Y75 HydrophobicContact CG1-CE2 4.18Å; V73-Y75 WeakPolarHBondContact O-CD2 3.49Å; V73-Y75 PolarHBondContact O-N 3.47Å
74	Q	29.9	Very low	31.8	Very low	154 Å²	154	121.2 Å²	121.2	72%	0.72	67%	0.666	S	S	*	*			trans	-68	91	177.8	-72.6	179.2	-22.7	0	0	109.3	S72 H76	S72-Q74 PolarHBondContact O-N 3.15Å; Q74-H76 PolarHBondContact O-N 3.22Å
75	Y	40.8	Very low	32.5	Very low	174 Å²	174	118.9 Å²	118.9	68%	0.682	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	2.8	-174.5	-85.8	-81.9	0	0	0	115.7	V73	V73-Y75 VanDerWaalsContact C-N 3.31Å; V73-Y75 HydrophobicContact CB-CD2 4.37Å; V73-Y75 HydrophobicContact CB-CE2 4.06Å; V73-Y75 HydrophobicContact CG1-CD2 4.35Å; V73-Y75 HydrophobicContact CG1-CE2 4.18Å; V73-Y75 WeakPolarHBondContact O-CD2 3.49Å; V73-Y75 PolarHBondContact O-N 3.47Å
76	H	34.7	Very low	33.4	Very low	150 Å²	150	117.5 Å²	117.5	69%	0.694	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	-7.4	-168.3	-72	-52.7	0	0	0	116.7	Q74	Q74-H76 PolarHBondContact O-N 3.22Å
77	H	33.7	Very low	34.1	Very low	146 Å²	146	116.8 Å²	116.8	68%	0.676	62%	0.616	S	S	*	*	S	Bend	trans	-98.1	-1.8	-173.6	-71.3	-63.3	0	0	0	116.7
78	L	36.6	Very low	35	Very low	140 Å²	140	115.7 Å²	115.7	73%	0.733	61%	0.606	S	S	*	*	S	Bend	trans	-108.6	-17.3	-178.8	-66.3	176.3	0	0	0	115.1	R81 W82	L78-R81 PolarHBondContact O-N 3.35Å; L78-W82 PolarHBondContact O-N 3.06Å
79	A	40	Very low	35.8	Very low	49 Å²	49	118.3 Å²	118.3	41%	0.405	60%	0.598	S	S	.	*	H	α-helix	trans	-56.2	-45	-175.5	0	0	0	0	0	114.9	R81 W82 L83	A79-R81 PolarHBondContact O-N 2.93Å; A79-W82 PolarHBondContact O-N 3.38Å; A79-W82 VanDerWaalsContact O-N 3.17Å; A79-L83 WeakPolarHBondContact O-CB 3.45Å; A79-L83 PolarHBondContact O-N 2.73Å
80	P	39	Very low	36.6	Very low	93 Å²	93	119.8 Å²	119.8	60%	0.604	59%	0.59	S	S	*	*	H	α-helix	trans	-67.7	-35.1	-174.6	-20.6	33.5	0	0	0	113.9	W82 S84	P80-W82 VanDerWaalsContact C-N 3.31Å; P80-S84 PolarHBondContact O-N 3.43Å; P80-S84 PolarHBondContact O-OG 3.45Å
81	R	34.3	Very low	37.4	Very low	203 Å²	203	116.2 Å²	116.2	77%	0.766	58%	0.576	S	S	*	*	H	α-helix	trans	-76.6	-18.9	176.7	-82.3	-174.1	169.8	-176.7	-2	112.9	L78 A79 S84 N85	L78-R81 PolarHBondContact O-N 3.35Å; A79-R81 PolarHBondContact O-N 2.93Å; R81-S84 PolarHBondContact O-OG 3.06Å; R81-N85 PolarHBondContact O-ND2 2.93Å
82	W	37.7	Very low	38	Very low	134 Å²	134	114 Å²	114	51%	0.508	56%	0.563	S	S	.	*	H	α-helix	trans	-91.1	-42.4	179.4	-149	73.6	0	0	0	111.5	L78 A79 P80 S84 N85 L86 E239	L78-W82 PolarHBondContact O-N 3.06Å; A79-W82 PolarHBondContact O-N 3.38Å; A79-W82 VanDerWaalsContact O-N 3.17Å; P80-W82 VanDerWaalsContact C-N 3.31Å; W82-S84 PolarHBondContact O-N 2.88Å; W82-N85 WeakPolarHBondContact O-CB 3.33Å; W82-N85 PolarHBondContact O-N 2.9Å; W82-N85 VanDerWaalsContact O-N 3.15Å; W82-L86 HydrophobicContact CD2-CD1 4.38Å; W82-L86 HydrophobicContact CE3-CD1 3.6Å; W82-L86 HydrophobicContact CH2-CD1 3.91Å; W82-L86 HydrophobicContact CZ3-CD1 3.33Å; W82-L86 PolarHBondContact O-N 3.01Å; W82-E239 WeakPolarHBondContact CH2-OE1 3.34Å
83	L	38.6	Very low	38.5	Very low	100 Å²	100	118.9 Å²	118.9	52%	0.524	57%	0.567	S	S	.	*	H	α-helix	trans	-54.5	-50.7	169.6	-94.5	151.9	0	0	0	112.3	A79 N85 L86 E87	A79-L83 WeakPolarHBondContact O-CB 3.45Å; A79-L83 PolarHBondContact O-N 2.73Å; L83-N85 VanDerWaalsContact C-N 3.28Å; L83-N85 PolarHBondContact O-N 3.11Å; L83-L86 WeakPolarHBondContact O-CA 3.33Å; L83-L86 WeakPolarHBondContact O-CB 3.38Å; L83-L86 PolarHBondContact O-N 2.88Å; L83-E87 PolarHBondContact O-N 3.33Å
84	S	36.8	Very low	38.8	Very low	47 Å²	47	117.5 Å²	117.5	33%	0.329	57%	0.565	S	S	.	*	H	α-helix	trans	-63.4	-31.1	177.5	51.4	0	0	0	0	113.2	P80 R81 W82 N88	P80-S84 PolarHBondContact O-N 3.43Å; P80-S84 PolarHBondContact O-OG 3.45Å; R81-S84 PolarHBondContact O-OG 3.06Å; W82-S84 PolarHBondContact O-N 2.88Å; S84-N88 WeakPolarHBondContact O-CB 3.36Å; S84-N88 PolarHBondContact O-N 3.32Å; S84-N88 PolarHBondContact O-ND2 2.82Å
85	N	39.2	Very low	39.2	Very low	88 Å²	88	112.2 Å²	112.2	47%	0.471	55%	0.548	S	S	.	.	H	α-helix	trans	-71.4	-29.8	171.5	-92.3	-69.1	0	0	0	113.1	R81 W82 L83 R89	R81-N85 PolarHBondContact O-ND2 2.93Å; W82-N85 WeakPolarHBondContact O-CB 3.33Å; W82-N85 PolarHBondContact O-N 2.9Å; W82-N85 VanDerWaalsContact O-N 3.15Å; L83-N85 VanDerWaalsContact C-N 3.28Å; L83-N85 PolarHBondContact O-N 3.11Å; N85-R89 WeakPolarHBondContact O-CB 3.24Å; N85-R89 WeakPolarHBondContact O-CD 3.37Å; N85-R89 WeakPolarHBondContact O-CG 3.35Å; N85-R89 PolarHBondContact O-N 2.86Å; N85-R89 VanDerWaalsContact O-N 3.07Å
86	L	41.7	Very low	39.1	Very low	57 Å²	57	109.3 Å²	109.3	30%	0.298	54%	0.544	S	S	.	.	H	α-helix	trans	-77.6	-41.5	175.9	-99.2	165.3	0	0	0	112.3	W82 L83 R89 R90	W82-L86 HydrophobicContact CD2-CD1 4.38Å; W82-L86 HydrophobicContact CE3-CD1 3.6Å; W82-L86 HydrophobicContact CH2-CD1 3.91Å; W82-L86 HydrophobicContact CZ3-CD1 3.33Å; W82-L86 PolarHBondContact O-N 3.01Å; L83-L86 WeakPolarHBondContact O-CA 3.33Å; L83-L86 WeakPolarHBondContact O-CB 3.38Å; L83-L86 PolarHBondContact O-N 2.88Å; L86-R89 CarbonylContact O-C 3.58Å; L86-R89 PolarHBondContact O-N 3.48Å; L86-R89 VanDerWaalsContact O-N 3.1Å; L86-R90 PolarHBondContact O-N 3.27Å
87	E	41.8	Very low	39.2	Very low	130 Å²	130	105.8 Å²	105.8	61%	0.607	54%	0.54	S	S	*	.	H	α-helix	trans	-62.1	-43.6	171.3	-71	177.2	144.2	0	0	110.9	L83 R89 R90 S91	L83-E87 PolarHBondContact O-N 3.33Å; E87-R89 PolarHBondContact O-N 3.46Å; E87-R90 PolarHBondContact O-N 3Å; E87-S91 WeakPolarHBondContact O-CB 3.43Å; E87-S91 PolarHBondContact O-N 3.36Å; E87-S91 PolarHBondContact O-OG 3.21Å; E87-S91 VanDerWaalsContact O-OG 3.12Å
88	N	42.3	Very low	39.4	Very low	96 Å²	96	102.1 Å²	102.1	51%	0.513	53%	0.531	S	S	.	.	H	α-helix	trans	-63.6	-25.9	172.6	-75.4	-27.9	0	0	0	113.4	S84 S91 S92	S84-N88 WeakPolarHBondContact O-CB 3.36Å; S84-N88 PolarHBondContact O-N 3.32Å; S84-N88 PolarHBondContact O-ND2 2.82Å; N88-S91 WeakPolarHBondContact CA-OG 3.29Å; N88-S91 PolarHBondContact O-OG 3.45Å; N88-S92 WeakPolarHBondContact O-CB 3.22Å; N88-S92 PolarHBondContact O-N 3.03Å; N88-S92 PolarHBondContact O-OG 3.36Å
89	R	42.2	Very low	39.3	Very low	168 Å²	168	104.4 Å²	104.4	63%	0.634	53%	0.53	S	S	*	.	H	α-helix	trans	-79.9	-43.9	172.7	-79.1	170.3	-178.7	-150	-0.8	112	N85 L86 E87 S91 S92 W93	N85-R89 WeakPolarHBondContact O-CB 3.24Å; N85-R89 WeakPolarHBondContact O-CD 3.37Å; N85-R89 WeakPolarHBondContact O-CG 3.35Å; N85-R89 PolarHBondContact O-N 2.86Å; N85-R89 VanDerWaalsContact O-N 3.07Å; L86-R89 CarbonylContact O-C 3.58Å; L86-R89 PolarHBondContact O-N 3.48Å; L86-R89 VanDerWaalsContact O-N 3.1Å; E87-R89 PolarHBondContact O-N 3.46Å; R89-S91 VanDerWaalsContact C-N 3.32Å; R89-S91 PolarHBondContact O-N 3.39Å; R89-S92 PolarHBondContact O-N 3.46Å; R89-W93 VanDerWaalsContact O-CD1 3.31Å; R89-W93 PolarHBondContact O-N 2.86Å
90	R	41.6	Very low	39.1	Very low	156 Å²	156	104.9 Å²	104.9	59%	0.589	54%	0.54	S	S	*	.	H	α-helix	trans	-59.8	-42.3	173.4	-81.6	-172.8	168.5	171.9	0.8	111.2	L86 E87 W93 A94 D240	L86-R90 PolarHBondContact O-N 3.27Å; E87-R90 PolarHBondContact O-N 3Å; R90-W93 PolarHBondContact O-N 2.94Å; R90-A94 PolarHBondContact O-N 3.1Å; R90-D240 IonicContact CZ-OD1 3.74Å; R90-D240 IonicContact NH2-OD1 3.23Å; R90-D240 PolarHBondContact NH2-OD1 2.73Å; R90-D240 IonicContact NH2-OD2 3.98Å; R90-D240 PolarHBondContact NH2-OD2 2.86Å
91	S	42.9	Very low	39.1	Very low	61 Å²	61	111.1 Å²	111.1	43%	0.427	55%	0.551	S	S	.	*	H	α-helix	trans	-68.5	-37.6	173.9	68.6	0	0	0	0	112.8	E87 N88 R89 W93 A94 A95	E87-S91 WeakPolarHBondContact O-CB 3.43Å; E87-S91 PolarHBondContact O-N 3.36Å; E87-S91 PolarHBondContact O-OG 3.21Å; E87-S91 VanDerWaalsContact O-OG 3.12Å; N88-S91 WeakPolarHBondContact CA-OG 3.29Å; N88-S91 PolarHBondContact O-OG 3.45Å; R89-S91 VanDerWaalsContact C-N 3.32Å; R89-S91 PolarHBondContact O-N 3.39Å; S91-W93 PolarHBondContact O-N 2.87Å; S91-A94 PolarHBondContact O-N 3.07Å; S91-A95 VanDerWaalsContact O-CB 3.29Å; S91-A95 WeakPolarHBondContact O-CB 3.4Å; S91-A95 PolarHBondContact O-N 3.3Å
92	S	42.4	Very low	39	Very low	62 Å²	62	109.4 Å²	109.4	43%	0.434	55%	0.552	S	S	.	*	H	α-helix	trans	-63.4	-37.3	172.4	-66.7	0	0	0	0	113	N88 R89 A95 L96	N88-S92 WeakPolarHBondContact O-CB 3.22Å; N88-S92 PolarHBondContact O-N 3.03Å; N88-S92 PolarHBondContact O-OG 3.36Å; R89-S92 PolarHBondContact O-N 3.46Å; S92-A95 PolarHBondContact O-N 2.66Å; S92-L96 WeakPolarHBondContact O-CB 3.42Å; S92-L96 WeakPolarHBondContact O-CG 3.19Å; S92-L96 PolarHBondContact O-N 3.14Å
93	W	37.1	Very low	38.7	Very low	197 Å²	197	109.9 Å²	109.9	75%	0.746	56%	0.564	S	S	*	*	H	α-helix	trans	-68.8	-41	174.2	-88.3	88.6	0	0	0	111.9	R89 R90 S91 A95 L96 A97	R89-W93 VanDerWaalsContact O-CD1 3.31Å; R89-W93 PolarHBondContact O-N 2.86Å; R90-W93 PolarHBondContact O-N 2.94Å; S91-W93 PolarHBondContact O-N 2.87Å; W93-A95 VanDerWaalsContact C-N 3.31Å; W93-A95 PolarHBondContact O-N 2.82Å; W93-L96 PolarHBondContact O-N 3.3Å; W93-A97 WeakPolarHBondContact O-CB 3.42Å; W93-A97 PolarHBondContact O-N 3.12Å
94	A	40.9	Very low	38.5	Very low	62 Å²	62	112.7 Å²	112.7	51%	0.512	58%	0.58	S	S	.	*	H	α-helix	trans	-62.9	-36.1	171.1	0	0	0	0	0	112.4	R90 S91 S98	R90-A94 PolarHBondContact O-N 3.1Å; S91-A94 PolarHBondContact O-N 3.07Å; A94-S98 WeakPolarHBondContact O-CB 3.19Å; A94-S98 PolarHBondContact O-N 3.01Å; A94-S98 PolarHBondContact O-OG 2.87Å
95	A	38.6	Very low	38.3	Very low	44 Å²	44	118.7 Å²	118.7	36%	0.364	60%	0.603	S	S	.	*	H	α-helix	trans	-71	-35.4	175.6	0	0	0	0	0	112.8	S91 S92 W93 S98 R99	S91-A95 VanDerWaalsContact O-CB 3.29Å; S91-A95 WeakPolarHBondContact O-CB 3.4Å; S91-A95 PolarHBondContact O-N 3.3Å; S92-A95 PolarHBondContact O-N 2.66Å; W93-A95 VanDerWaalsContact C-N 3.31Å; W93-A95 PolarHBondContact O-N 2.82Å; A95-S98 WeakPolarHBondContact CA-OG 3.49Å; A95-S98 PolarHBondContact O-OG 2.89Å; A95-S98 VanDerWaalsContact O-OG 3.11Å; A95-R99 WeakPolarHBondContact O-CB 3.49Å; A95-R99 WeakPolarHBondContact O-CG 3.36Å; A95-R99 PolarHBondContact O-N 2.87Å
96	L	38.3	Very low	37.7	Very low	113 Å²	113	125.1 Å²	125.1	59%	0.592	62%	0.622	S	S	*	*	H	α-helix	trans	-72.3	-42.1	174.3	-78.1	165	0	0	0	111.6	S92 W93 S98 R99 G100	S92-L96 WeakPolarHBondContact O-CB 3.42Å; S92-L96 WeakPolarHBondContact O-CG 3.19Å; S92-L96 PolarHBondContact O-N 3.14Å; W93-L96 PolarHBondContact O-N 3.3Å; L96-S98 VanDerWaalsContact C-N 3.27Å; L96-S98 PolarHBondContact O-N 3.03Å; L96-R99 PolarHBondContact O-N 3.3Å; L96-G100 PolarHBondContact O-N 2.99Å
97	A	37.8	Very low	37	Very low	75 Å²	75	134 Å²	134	62%	0.62	65%	0.652	S	S	*	*	H	α-helix	trans	-62.7	-32.5	174.6	0	0	0	0	0	112.8	W93	W93-A97 WeakPolarHBondContact O-CB 3.42Å; W93-A97 PolarHBondContact O-N 3.12Å
98	S	37.7	Very low	36.4	Very low	69 Å²	69	137 Å²	137	48%	0.483	67%	0.666	S	S	.	*	H	α-helix	trans	-81.5	-35.9	174.7	48.3	0	0	0	0	113.4	A94 A95 L96 R101	A94-S98 WeakPolarHBondContact O-CB 3.19Å; A94-S98 PolarHBondContact O-N 3.01Å; A94-S98 PolarHBondContact O-OG 2.87Å; A95-S98 WeakPolarHBondContact CA-OG 3.49Å; A95-S98 PolarHBondContact O-OG 2.89Å; A95-S98 VanDerWaalsContact O-OG 3.11Å; L96-S98 VanDerWaalsContact C-N 3.27Å; L96-S98 PolarHBondContact O-N 3.03Å; S98-R101 WeakPolarHBondContact O-CB 3.47Å; S98-R101 PolarHBondContact O-N 3.35Å; S98-R101 VanDerWaalsContact O-N 3.14Å
99	R	35.3	Very low	35.8	Very low	189 Å²	189	139.5 Å²	139.5	71%	0.713	68%	0.679	S	S	*	*	H	α-helix	trans	-67.5	-34.7	173.3	-81.8	-178.5	168.2	-177.5	-3	113.6	A95 L96 R101 Q102 N103	A95-R99 WeakPolarHBondContact O-CB 3.49Å; A95-R99 WeakPolarHBondContact O-CG 3.36Å; A95-R99 PolarHBondContact O-N 2.87Å; L96-R99 PolarHBondContact O-N 3.3Å; R99-R101 PolarHBondContact O-N 2.95Å; R99-R101 VanDerWaalsContact O-N 3.09Å; R99-Q102 PolarHBondContact O-N 3.15Å; R99-N103 PolarHBondContact O-N 3.49Å
100	G	35.2	Very low	35.1	Very low	59 Å²	59	136.9 Å²	136.9	61%	0.608	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-13.3	170.9	0	0	0	0	0	114	L96	L96-G100 PolarHBondContact O-N 2.99Å
101	R	37.8	Very low	34.3	Very low	224 Å²	224	141.2 Å²	141.2	85%	0.845	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-9.6	175.7	-129.6	-177.8	-163.8	-169.2	5.8	114.2	S98 R99	S98-R101 WeakPolarHBondContact O-CB 3.47Å; S98-R101 PolarHBondContact O-N 3.35Å; S98-R101 VanDerWaalsContact O-N 3.14Å; R99-R101 PolarHBondContact O-N 2.95Å; R99-R101 VanDerWaalsContact O-N 3.09Å
102	Q	33.6	Very low	33.6	Very low	167 Å²	167	147.7 Å²	147.7	78%	0.78	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	-33.2	-176.9	-75.7	-175.1	-27.4	0	0	114.1	R99 N104	R99-Q102 PolarHBondContact O-N 3.15Å; Q102-N104 PolarHBondContact O-N 3.29Å
103	N	30.9	Very low	32.9	Very low	143 Å²	143	151.1 Å²	151.1	77%	0.765	75%	0.75	S	S	*	*			trans	-94.7	84.8	175.7	-83.3	13.4	0	0	0	111.3	R99	R99-N103 PolarHBondContact O-N 3.49Å
104	N	33.8	Very low	32.4	Very low	160 Å²	160	145.5 Å²	145.5	86%	0.856	75%	0.754	S	S	*	*			trans	-128.6	48.3	164.4	-150.7	33.9	0	0	0	111.6	Q102	Q102-N104 PolarHBondContact O-N 3.29Å
105	Q	32.3	Very low	31.7	Very low	173 Å²	173	145.7 Å²	145.7	81%	0.808	76%	0.762	S	S	*	*			trans	-133.6	150.9	160.9	-74.9	-178.3	-21.6	0	0	106.4
106	Y	27.4	Very low	31.1	Very low	222 Å²	222	149.4 Å²	149.4	87%	0.871	79%	0.786	S	S	*	*			trans	72.1	80.4	-163.3	-67.6	-95.4	0	0	0	115.3
107	W	26.3	Very low	30.6	Very low	245 Å²	245	152.6 Å²	152.6	93%	0.928	80%	0.797	S	S	*	*				-165.3	46.6	129	-90.3	113.8	0	0	0	110.6
108	E	29.7	Very low	30	Very low	192 Å²	192	152.8 Å²	152.8	90%	0.897	79%	0.794	S	S	*	*			trans	-118.2	72.2	162.9	-81	-167.6	147.6	0	0	109
109	D	29.2	Very low	29.5	Very low	149 Å²	149	161 Å²	161	80%	0.797	82%	0.815	S	S	*	*			trans	-169.4	132.3	147.9	-117	-26.2	0	0	0	110.8
110	S	27.7	Very low	29.1	Very low	113 Å²	113	155.7 Å²	155.7	79%	0.79	82%	0.818	S	S	*	*			trans	127.7	62.9	172.3	-60.4	0	0	0	0	114.8
111	R	26	Very low	28.7	Very low	247 Å²	247	160 Å²	160	93%	0.932	83%	0.833	S	S	*	*			trans	-140.7	96.6	154.3	-84.8	-168.5	173.8	179.9	-0.8	111
112	Q	28.3	Very low	28.1	Very low	196 Å²	196	153.1 Å²	153.1	92%	0.916	83%	0.832	S	S	*	*			trans	-156.2	150.5	158.2	-113.7	177.7	34.4	0	0	112.2
113	S	27.8	Very low	27.8	Very low	134 Å²	134	149 Å²	149	94%	0.937	83%	0.834	S	S	*	*			trans	69.1	125	-174.7	-154.6	0	0	0	0	115.1
114	G	26.9	Very low	27.6	Very low	80 Å²	80	150.1 Å²	150.1	83%	0.825	84%	0.84	S	S	*	*			cis	163.6	153.2	-2.7	0	0	0	0	0	107.9
115	G	25.4	Very low	27.3	Very low	66 Å²	66	146.1 Å²	146.1	68%	0.68	83%	0.829	S	S	*	*			cis	-173.5	-173.2	-3	0	0	0	0	0	110.1
116	S	26	Very low	27	Very low	122 Å²	122	142.9 Å²	142.9	85%	0.853	83%	0.826	S	S	*	*			trans	62.8	144.1	-178.6	69.2	0	0	0	0	116.3
117	E	27.3	Very low	27	Very low	179 Å²	179	143.3 Å²	143.3	84%	0.836	83%	0.826	S	S	*	*			cis	-166.1	164.8	-11.5	-111.9	-154.7	-116.7	0	0	107
118	S	26.5	Very low	27	Very low	79 Å²	79	136.7 Å²	136.7	55%	0.552	82%	0.823	S	S	*	*			cis	-166	-173.9	-12.6	61.2	0	0	0	0	111.7
119	R	26.4	Very low	26.8	Very low	243 Å²	243	131 Å²	131	92%	0.917	82%	0.816	S	S	*	*			trans	53.2	118.5	163	-75	-178.5	165.1	171.8	-3.1	120.2
120	G	26.6	Very low	26.9	Very low	76 Å²	76	132.7 Å²	132.7	78%	0.784	82%	0.824	S	S	*	*			trans	160.2	84.3	154	0	0	0	0	0	116.6
121	T	26.7	Very low	26.9	Very low	149 Å²	149	131.8 Å²	131.8	91%	0.914	82%	0.823	S	S	*	*			trans	-31.3	145.6	162.9	49.8	0	0	0	0	116.2
122	G	26.3	Very low	27.1	Very low	81 Å²	81	124.7 Å²	124.7	84%	0.835	81%	0.811	S	S	*	*			cis	163.5	174.2	1.5	0	0	0	0	0	110.5
123	G	26.8	Very low	27.3	Very low	79 Å²	79	120.6 Å²	120.6	81%	0.814	81%	0.811	S	S	*	*			trans	120.7	98.1	166.7	0	0	0	0	0	117.6
124	D	25.9	Very low	27.8	Very low	168 Å²	168	117.2 Å²	117.2	90%	0.898	80%	0.797	S	S	*	*			trans	1.1	154.7	138.6	-67.2	-22.5	0	0	0	121
125	A	27.2	Very low	28.2	Very low	76 Å²	76	118.5 Å²	118.5	63%	0.628	79%	0.789	S	S	*	*			cis	-171	159.1	-13.1	0	0	0	0	0	109.8
126	S	26.5	Very low	28.8	Very low	105 Å²	105	122.1 Å²	122.1	73%	0.734	79%	0.792	S	S	*	*			trans	37.3	134.4	151	71.6	0	0	0	0	119.8
127	R	28	Very low	29.8	Very low	231 Å²	231	120.5 Å²	120.5	87%	0.872	78%	0.78	S	S	*	*				172.1	139.8	59.5	-160.2	169.5	172.6	163.5	-4	110
128	A	26.5	Very low	30.4	Very low	106 Å²	106	115.3 Å²	115.3	88%	0.876	77%	0.768	S	S	*	*			trans	51.3	147.4	157.8	0	0	0	0	0	120.2
129	G	25.4	Very low	31	Very low	72 Å²	72	114.2 Å²	114.2	74%	0.742	76%	0.764	S	S	*	*			cis	178.2	143.1	-3.2	0	0	0	0	0	110.9
130	L	30.9	Very low	31.6	Very low	185 Å²	185	105.3 Å²	105.3	97%	0.969	74%	0.743	S	S	*	*			trans	-2.8	116.6	168.5	-71.7	150.8	0	0	0	119.5
131	A	27.8	Very low	32.3	Very low	93 Å²	93	105.7 Å²	105.7	77%	0.769	73%	0.729	S	S	*	*			trans	-159.5	130.1	137.6	0	0	0	0	0	113.7
132	S	31	Very low	32.7	Very low	98 Å²	98	101.3 Å²	101.3	69%	0.685	71%	0.709	S	S	*	*			trans	63.3	70.7	157.7	64.7	0	0	0	0	120.7	G134	S132-G134 PolarHBondContact O-N 2.85Å
133	A	32.3	Very low	33.3	Very low	110 Å²	110	104.9 Å²	104.9	91%	0.909	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	30.9	157.8	0	0	0	0	0	113.9
134	G	37	Very low	34.2	Very low	63 Å²	63	106.6 Å²	106.6	65%	0.649	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-14.7	-176.1	0	0	0	0	0	115.2	S132	S132-G134 PolarHBondContact O-N 2.85Å
135	V	36.7	Very low	34.7	Very low	107 Å²	107	105.3 Å²	105.3	65%	0.648	69%	0.692	S	S	*	*	S	Bend	trans	-94.1	-27.2	-169.6	-175.3	0	0	0	0	113	S137	V135-S137 PolarHBondContact O-N 3.45Å
136	L	36.6	Very low	35	Very low	143 Å²	143	110.3 Å²	110.3	75%	0.749	70%	0.695	S	S	*	*	H	α-helix	trans	-75	-25.2	-171.4	-73.1	167.3	0	0	0	114.8	A140	L136-A140 WeakPolarHBondContact O-CB 3.5Å; L136-A140 PolarHBondContact O-N 3.18Å; L136-A140 VanDerWaalsContact O-N 3.15Å
137	S	47.3	Very low	35.7	Very low	87 Å²	87	113.4 Å²	113.4	61%	0.608	70%	0.695	S	S	*	*	H	α-helix	trans	-74.7	-32.7	179.9	-174.6	0	0	0	0	113	V135 V141	V135-S137 PolarHBondContact O-N 3.45Å; S137-V141 WeakPolarHBondContact O-CG2 3.42Å; S137-V141 PolarHBondContact O-N 3.29Å
138	A	40.7	Very low	36.2	Very low	70 Å²	70	108 Å²	108	58%	0.579	68%	0.683	S	S	*	*	H	α-helix	trans	-70.8	-42.3	175.2	0	0	0	0	0	111.5	V141 A142	A138-V141 PolarHBondContact O-N 2.83Å; A138-A142 VanDerWaalsContact O-CB 3.24Å; A138-A142 WeakPolarHBondContact O-CB 3.41Å; A138-A142 PolarHBondContact O-N 2.67Å
139	A	39	Very low	36.9	Very low	57 Å²	57	107 Å²	107	47%	0.471	67%	0.67	S	S	.	*	H	α-helix	trans	-63.5	-42.1	177.6	0	0	0	0	0	112.6	A142 F143	A139-A142 PolarHBondContact O-N 2.75Å; A139-F143 WeakPolarHBondContact O-CB 3.38Å; A139-F143 PolarHBondContact O-N 2.82Å
140	A	38.9	Very low	38.1	Very low	56 Å²	56	110.2 Å²	110.2	46%	0.463	67%	0.67	S	S	.	*	H	α-helix	trans	-67	-40.6	177.6	0	0	0	0	0	112.8	L136 F143 C144	L136-A140 WeakPolarHBondContact O-CB 3.5Å; L136-A140 PolarHBondContact O-N 3.18Å; L136-A140 VanDerWaalsContact O-N 3.15Å; A140-F143 PolarHBondContact O-N 2.88Å; A140-C144 PolarHBondContact O-N 2.86Å
141	V	41.7	Very low	40	Very low	83 Å²	83	105.6 Å²	105.6	50%	0.503	65%	0.646	S	S	.	*	H	α-helix	trans	-69.4	-37.4	175.4	173.5	0	0	0	0	111.3	S137 A138 F143 C144 L145	S137-V141 WeakPolarHBondContact O-CG2 3.42Å; S137-V141 PolarHBondContact O-N 3.29Å; A138-V141 PolarHBondContact O-N 2.83Å; V141-F143 VanDerWaalsContact C-N 3.29Å; V141-F143 PolarHBondContact O-N 2.91Å; V141-C144 PolarHBondContact O-N 3.25Å; V141-L145 HydrophobicContact CG1-CD1 4.04Å; V141-L145 WeakPolarHBondContact O-CB 3.5Å; V141-L145 PolarHBondContact O-N 2.97Å
142	A	35.2	Very low	42.4	Very low	58 Å²	58	105.7 Å²	105.7	48%	0.479	63%	0.629	S	S	.	*	H	α-helix	trans	-67.3	-27.4	172.3	0	0	0	0	0	113	A138 A139 L145 R146	A138-A142 VanDerWaalsContact O-CB 3.24Å; A138-A142 WeakPolarHBondContact O-CB 3.41Å; A138-A142 PolarHBondContact O-N 2.67Å; A139-A142 PolarHBondContact O-N 2.75Å; A142-L145 CarbonylContact O-C 3.56Å; A142-R146 PolarHBondContact O-N 3.12Å
143	F	38.1	Very low	44.7	Very low	156 Å²	156	103.4 Å²	103.4	68%	0.684	61%	0.609	S	S	*	*	H	α-helix	trans	-74	-37.9	173.6	-165.5	-97.7	0	0	0	111.9	A139 A140 V141	A139-F143 WeakPolarHBondContact O-CB 3.38Å; A139-F143 PolarHBondContact O-N 2.82Å; A140-F143 PolarHBondContact O-N 2.88Å; V141-F143 VanDerWaalsContact C-N 3.29Å; V141-F143 PolarHBondContact O-N 2.91Å
144	C	44.8	Very low	47.1	Very low	114 Å²	114	100.9 Å²	100.9	77%	0.77	58%	0.581	S	S	*	*	H	α-helix	trans	-79	-15.1	173.5	-63.4	0	0	0	0	114.3	A140 V141	A140-C144 PolarHBondContact O-N 2.86Å; V141-C144 PolarHBondContact O-N 3.25Å
145	L	37.9	Very low	49.4	Very low	141 Å²	141	100 Å²	100	74%	0.738	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	12.5	172.2	-73	172.9	0	0	0	113.3	V141 A142 K147	V141-L145 HydrophobicContact CG1-CD1 4.04Å; V141-L145 WeakPolarHBondContact O-CB 3.5Å; V141-L145 PolarHBondContact O-N 2.97Å; A142-L145 CarbonylContact O-C 3.56Å; L145-K147 PolarHBondContact O-N 3.34Å
146	R	33.1	Very low	51.8	Low	182 Å²	182	95 Å²	95	69%	0.687	53%	0.534	S	S	*	.			trans	-73.4	76.8	161.7	-109.3	-174.8	173.8	168.6	-4.2	109.1	A142 D148	A142-R146 PolarHBondContact O-N 3.12Å; R146-D148 PolarHBondContact O-N 3.2Å
147	K	40.9	Very low	54.2	Low	170 Å²	170	88.9 Å²	88.9	74%	0.739	50%	0.502	S	S	*	.			trans	-68	105.8	143.8	-175	176.4	-175	179.2	0	104.3	L145 S149	L145-K147 PolarHBondContact O-N 3.34Å; K147-S149 VanDerWaalsContact C-N 3.33Å; K147-S149 PolarHBondContact O-N 3.49Å
148	D	37.8	Very low	56.1	Low	117 Å²	117	88 Å²	88	63%	0.626	49%	0.488	S	S	*	.			trans	-62.1	99.8	175	-71.1	-38.5	0	0	0	107.6	R146 D150	R146-D148 PolarHBondContact O-N 3.2Å; D148-D150 PolarHBondContact O-N 3.42Å
149	S	41.8	Very low	58.3	Low	86 Å²	86	84.9 Å²	84.9	60%	0.601	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-0.3	-170.7	47.2	0	0	0	0	113.9	K147	K147-S149 VanDerWaalsContact C-N 3.33Å; K147-S149 PolarHBondContact O-N 3.49Å
150	D	51.3	Low	60.7	Low	138 Å²	138	82.2 Å²	82.2	74%	0.738	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	2.3	-157	-62.8	8.3	0	0	0	112.4	D148 K152	D148-D150 PolarHBondContact O-N 3.42Å; D150-K152 PolarHBondContact O-N 3.15Å
151	N	70.8	Confident	63	Low	88 Å²	88	83.5 Å²	83.5	47%	0.471	43%	0.433	S	S	.	.			trans	-75	106.5	162.3	-81.9	-5.9	0	0	0	109.6	D153 D154 S155	N151-D153 PolarHBondContact O-N 2.61Å; N151-D154 HydrophobicContact CB-CB 4.04Å; N151-D154 WeakPolarHBondContact CB-OD2 3.24Å; N151-D154 PolarHBondContact ND2-OD2 3.41Å; N151-D154 PolarHBondContact O-N 3.47Å; N151-S155 PolarHBondContact O-N 3.17Å; N151-S155 VanDerWaalsContact O-N 3.14Å; N151-S155 PolarHBondContact O-OG 3.42Å; N151-S155 VanDerWaalsContact O-OG 3.05Å
152	K	76.8	Confident	65.1	Low	96 Å²	96	82.9 Å²	82.9	42%	0.417	43%	0.43	S	S	.	.	H	α-helix	trans	-59	-29.8	173.2	-60.4	-165.9	177.2	-159.5	0	112.6	D150 S155 L156 E174 V176	D150-K152 PolarHBondContact O-N 3.15Å; K152-S155 WeakPolarHBondContact O-CB 3.44Å; K152-S155 PolarHBondContact O-N 3.07Å; K152-L156 PolarHBondContact O-N 2.94Å; K152-E174 IonicContact NZ-OE2 2.66Å; K152-E174 PolarHBondContact NZ-OE2 3.47Å; K152-V176 HydrophobicContact CB-CG2 3.57Å; K152-V176 HydrophobicContact CD-CG2 4.31Å
153	D	80.4	Confident	67.1	Low	49 Å²	49	83 Å²	83	26%	0.262	42%	0.422	S	S	.	.	H	α-helix	trans	-67.2	-47.2	179	-56.3	-22.9	0	0	0	111.9	N151 S155 L156 L157 V176 H180	N151-D153 PolarHBondContact O-N 2.61Å; D153-S155 VanDerWaalsContact C-N 3.25Å; D153-S155 PolarHBondContact O-N 3.4Å; D153-L156 WeakPolarHBondContact O-CB 3.41Å; D153-L156 PolarHBondContact O-N 3.27Å; D153-L156 VanDerWaalsContact O-N 3.1Å; D153-L157 PolarHBondContact O-N 3.25Å; D153-V176 WeakPolarHBondContact OD1-CG1 3.49Å; D153-H180 VanDerWaalsContact CB-CE1 3.5Å; D153-H180 WeakPolarHBondContact CB-CE1 3.45Å; D153-H180 VanDerWaalsContact CG-CE1 3.46Å; D153-H180 VanDerWaalsContact CG-ND1 3.26Å; D153-H180 IonicContact OD1-ND1 3.86Å; D153-H180 IonicContact OD2-CE1 2.82Å; D153-H180 PolarHBondContact OD2-CE1 3.31Å; D153-H180 IonicContact OD2-CG 2.72Å; D153-H180 IonicContact OD2-ND1 2.71Å; D153-H180 PolarHBondContact OD2-ND1 3.17Å; D153-H180 IonicContact OD2-NE2 3.6Å
154	D	82.9	Confident	69.4	Low	58 Å²	58	78.4 Å²	78.4	31%	0.31	41%	0.405	S	S	.	.	H	α-helix	trans	-66.7	-30.6	175	-65.9	-47	0	0	0	111.5	N151 L156 L157 E158 H182	N151-D154 HydrophobicContact CB-CB 4.04Å; N151-D154 WeakPolarHBondContact CB-OD2 3.24Å; N151-D154 PolarHBondContact ND2-OD2 3.41Å; N151-D154 PolarHBondContact O-N 3.47Å; D154-L156 VanDerWaalsContact C-N 3.33Å; D154-L157 PolarHBondContact O-N 3.14Å; D154-E158 PolarHBondContact O-N 2.82Å; D154-E158 VanDerWaalsContact O-N 3.1Å; D154-H182 IonicContact OD1-CD2 2.74Å
155	S	85.7	Confident	71.3	Confident	44 Å²	44	74 Å²	74	31%	0.308	38%	0.377	S	S	.	.	H	α-helix	trans	-65.9	-33.6	171.9	-57	0	0	0	0	112.4	N151 K152 D153 A159	N151-S155 PolarHBondContact O-N 3.17Å; N151-S155 VanDerWaalsContact O-N 3.14Å; N151-S155 PolarHBondContact O-OG 3.42Å; N151-S155 VanDerWaalsContact O-OG 3.05Å; K152-S155 WeakPolarHBondContact O-CB 3.44Å; K152-S155 PolarHBondContact O-N 3.07Å; D153-S155 VanDerWaalsContact C-N 3.25Å; D153-S155 PolarHBondContact O-N 3.4Å; S155-A159 WeakPolarHBondContact O-CB 3.32Å; S155-A159 PolarHBondContact O-N 3.46Å
156	L	86.7	Confident	73.7	Confident	3 Å²	3	75 Å²	75	2%	0.016	38%	0.378	C	S	.	.	H	α-helix	trans	-69.5	-40.8	174.6	-179.4	66	0	0	0	111.5	K152 D153 D154 E158 A159 A160 V168 L171 I172 V176 A188 L204	K152-L156 PolarHBondContact O-N 2.94Å; D153-L156 WeakPolarHBondContact O-CB 3.41Å; D153-L156 PolarHBondContact O-N 3.27Å; D153-L156 VanDerWaalsContact O-N 3.1Å; D154-L156 VanDerWaalsContact C-N 3.33Å; L156-E158 VanDerWaalsContact C-N 3.33Å; L156-E158 PolarHBondContact O-N 3.05Å; L156-A159 PolarHBondContact O-N 2.87Å; L156-A160 VanDerWaalsContact O-CB 3.3Å; L156-A160 WeakPolarHBondContact O-CB 3.23Å; L156-A160 PolarHBondContact O-N 3.32Å; L156-V168 HydrophobicContact CD1-CB 4.3Å; L156-V168 HydrophobicContact CD1-CG1 4.05Å; L156-V168 HydrophobicContact CD1-CG2 4.27Å; L156-L171 HydrophobicContact CB-CD1 4.21Å; L156-L171 HydrophobicContact CD1-CB 4.26Å; L156-L171 HydrophobicContact CD1-CD1 4.38Å; L156-I172 HydrophobicContact CD1-CD1 4.41Å; L156-I172 HydrophobicContact CD1-CG1 4.22Å; L156-V176 HydrophobicContact CB-CG1 4.04Å; L156-V176 HydrophobicContact CD2-CB 4.47Å; L156-V176 HydrophobicContact CD2-CG1 3.55Å; L156-V176 HydrophobicContact CG-CG1 4.37Å; L156-A188 HydrophobicContact CD2-CB 4.4Å; L156-A188 HydrophobicContact CG-CB 4.21Å; L156-L204 HydrophobicContact CD1-CD2 4.31Å; L156-L204 HydrophobicContact CD2-CD2 4.45Å
157	L	86.8	Confident	76.3	Confident	13 Å²	13	68.5 Å²	68.5	7%	0.068	36%	0.357	C	S	.	.	H	α-helix	trans	-59	-44.1	174.2	-65.8	171.9	0	0	0	111.4	D153 D154 A160 R161 H182 A188 V191	D153-L157 PolarHBondContact O-N 3.25Å; D154-L157 PolarHBondContact O-N 3.14Å; L157-A160 PolarHBondContact O-N 3.16Å; L157-R161 PolarHBondContact O-N 3.25Å; L157-H182 HydrophobicContact CD1-CB 3.66Å; L157-A188 HydrophobicContact CD2-CB 4.01Å; L157-V191 HydrophobicContact CD2-CG2 4.43Å
158	E	86.6	Confident	78.5	Confident	68 Å²	68	60.4 Å²	60.4	32%	0.318	32%	0.322	S	S	.	.	H	α-helix	trans	-69.6	-38.9	178.3	-178.7	61.3	-170.4	0	0	112.9	D154 L156 A160 R161 T162	D154-E158 PolarHBondContact O-N 2.82Å; D154-E158 VanDerWaalsContact O-N 3.1Å; L156-E158 VanDerWaalsContact C-N 3.33Å; L156-E158 PolarHBondContact O-N 3.05Å; E158-A160 VanDerWaalsContact C-N 3.33Å; E158-A160 PolarHBondContact O-N 3.39Å; E158-R161 WeakPolarHBondContact O-CB 3.49Å; E158-R161 PolarHBondContact O-N 2.75Å; E158-R161 IonicContact OE1-CZ 2.87Å; E158-R161 IonicContact OE1-NE 2.75Å; E158-R161 IonicContact OE1-NH2 3.85Å; E158-R161 PolarHBondContact OE1-NH2 3.34Å; E158-R161 IonicContact OE2-CZ 3.21Å; E158-R161 IonicContact OE2-NE 2.83Å; E158-R161 PolarHBondContact OE2-NE 3.1Å; E158-R161 IonicContact OE2-NH2 2.71Å; E158-R161 PolarHBondContact OE2-NH2 2.9Å; E158-T162 WeakPolarHBondContact O-CG2 3.18Å; E158-T162 PolarHBondContact O-N 3.36Å; E158-T162 VanDerWaalsContact O-N 3.16Å; E158-T162 PolarHBondContact O-OG1 2.7Å
159	A	87.9	Confident	80.9	Confident	6 Å²	6	57.2 Å²	57.2	5%	0.05	31%	0.308	C	S	.	.	H	α-helix	trans	-63.9	-39.1	173.8	0	0	0	0	0	111.8	S155 L156 R161 T162 N163 N164 D167 V168 L171	S155-A159 WeakPolarHBondContact O-CB 3.32Å; S155-A159 PolarHBondContact O-N 3.46Å; L156-A159 PolarHBondContact O-N 2.87Å; A159-R161 VanDerWaalsContact C-N 3.31Å; A159-R161 PolarHBondContact O-N 3.21Å; A159-T162 PolarHBondContact O-N 2.6Å; A159-T162 PolarHBondContact O-OG1 3.4Å; A159-N163 PolarHBondContact O-N 2.9Å; A159-N164 PolarHBondContact O-N 2.85Å; A159-D167 HydrophobicContact CB-CB 4.05Å; A159-V168 HydrophobicContact CB-CG2 3.77Å; A159-L171 HydrophobicContact CB-CD1 4.28Å
160	A	88	Confident	83.1	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-65.3	-32.5	174	0	0	0	0	0	112.8	L156 L157 E158 A188 A192 L204	L156-A160 VanDerWaalsContact O-CB 3.3Å; L156-A160 WeakPolarHBondContact O-CB 3.23Å; L156-A160 PolarHBondContact O-N 3.32Å; L157-A160 PolarHBondContact O-N 3.16Å; E158-A160 VanDerWaalsContact C-N 3.33Å; E158-A160 PolarHBondContact O-N 3.39Å; A160-A188 HydrophobicContact CB-CB 3.97Å; A160-A192 HydrophobicContact CB-CB 4.25Å; A160-L204 HydrophobicContact CB-CD1 4.1Å
161	R	88.1	Confident	84.8	Confident	83 Å²	83	53.3 Å²	53.3	31%	0.313	27%	0.271	S	S	.	.	H	α-helix	trans	-71	-32	176.1	-161.3	-177.9	69.2	83.8	6.6	113.3	L157 E158 A159 V191 Q197 E241	L157-R161 PolarHBondContact O-N 3.25Å; E158-R161 WeakPolarHBondContact O-CB 3.49Å; E158-R161 PolarHBondContact O-N 2.75Å; E158-R161 IonicContact OE1-CZ 2.87Å; E158-R161 IonicContact OE1-NE 2.75Å; E158-R161 IonicContact OE1-NH2 3.85Å; E158-R161 PolarHBondContact OE1-NH2 3.34Å; E158-R161 IonicContact OE2-CZ 3.21Å; E158-R161 IonicContact OE2-NE 2.83Å; E158-R161 PolarHBondContact OE2-NE 3.1Å; E158-R161 IonicContact OE2-NH2 2.71Å; E158-R161 PolarHBondContact OE2-NH2 2.9Å; A159-R161 VanDerWaalsContact C-N 3.31Å; A159-R161 PolarHBondContact O-N 3.21Å; R161-V191 HydrophobicContact CB-CG1 3.71Å; R161-V191 HydrophobicContact CG-CG1 3.95Å; R161-Q197 PolarHBondContact O-NE2 2.95Å; R161-E241 WeakPolarHBondContact CD-O 3.36Å
162	T	85	Confident	85.6	Confident	70 Å²	70	50.8 Å²	50.8	43%	0.429	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	5.6	-169.2	52.8	0	0	0	0	115.3	E158 A159 N164	E158-T162 WeakPolarHBondContact O-CG2 3.18Å; E158-T162 PolarHBondContact O-N 3.36Å; E158-T162 VanDerWaalsContact O-N 3.16Å; E158-T162 PolarHBondContact O-OG1 2.7Å; A159-T162 PolarHBondContact O-N 2.6Å; A159-T162 PolarHBondContact O-OG1 3.4Å; T162-N164 VanDerWaalsContact C-N 3.29Å; T162-N164 PolarHBondContact O-N 2.98Å
163	N	78.1	Confident	86.2	Confident	60 Å²	60	55 Å²	55	32%	0.321	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	12.4	-175.2	-145.4	14.3	0	0	0	116.1	A159 A165 Q197	A159-N163 PolarHBondContact O-N 2.9Å; N163-A165 VanDerWaalsContact C-N 3.26Å; N163-A165 PolarHBondContact O-N 2.91Å; N163-Q197 HydrophobicContact CB-CB 4.29Å; N163-Q197 VanDerWaalsContact CB-CD 3.46Å; N163-Q197 HydrophobicContact CB-CG 4.27Å
164	N	85.4	Confident	86.5	Confident	60 Å²	60	56.9 Å²	56.9	32%	0.321	28%	0.283	S	S	.	.			trans	-80.1	76.1	-176.5	-161.4	-9	0	0	0	111.9	A159 T162 Q166 D167 V168	A159-N164 PolarHBondContact O-N 2.85Å; T162-N164 VanDerWaalsContact C-N 3.29Å; T162-N164 PolarHBondContact O-N 2.98Å; N164-Q166 PolarHBondContact O-N 2.82Å; N164-Q166 VanDerWaalsContact O-N 3.13Å; N164-Q166 PolarHBondContact OD1-N 3.48Å; N164-D167 HydrophobicContact CB-CB 4.05Å; N164-D167 PolarHBondContact ND2-OD2 3.15Å; N164-D167 PolarHBondContact O-N 3.15Å; N164-D167 PolarHBondContact OD1-N 2.98Å; N164-V168 WeakPolarHBondContact O-CG2 3.48Å; N164-V168 PolarHBondContact O-N 3.15Å
165	A	85.4	Confident	86.6	Confident	23 Å²	23	57.3 Å²	57.3	19%	0.19	30%	0.301	C	S	.	.	H	α-helix	trans	-58.5	-25.3	-179.5	0	0	0	0	0	113.3	N163 S169 A203	N163-A165 VanDerWaalsContact C-N 3.26Å; N163-A165 PolarHBondContact O-N 2.91Å; A165-S169 VanDerWaalsContact O-CB 3.29Å; A165-S169 WeakPolarHBondContact O-CB 3.5Å; A165-S169 PolarHBondContact O-N 3.45Å; A165-S169 PolarHBondContact O-OG 3.39Å; A165-A203 HydrophobicContact CB-CB 4.44Å
166	Q	88.8	Confident	86.6	Confident	160 Å²	160	55.6 Å²	55.6	75%	0.748	29%	0.289	S	S	*	.	H	α-helix	trans	-72.6	-43.4	174.5	-64.7	-172.2	0.5	0	0	111.5	N164 S169 R170	N164-Q166 PolarHBondContact O-N 2.82Å; N164-Q166 VanDerWaalsContact O-N 3.13Å; N164-Q166 PolarHBondContact OD1-N 3.48Å; Q166-S169 PolarHBondContact O-N 3.41Å; Q166-R170 WeakPolarHBondContact O-CB 3.42Å; Q166-R170 PolarHBondContact O-N 2.7Å
167	D	86.5	Confident	86.7	Confident	47 Å²	47	59.5 Å²	59.5	25%	0.251	31%	0.31	S	S	.	.	H	α-helix	trans	-65.9	-42.8	174.6	-78.8	-14.1	0	0	0	111.3	A159 N164 S169 R170 L171	A159-D167 HydrophobicContact CB-CB 4.05Å; N164-D167 HydrophobicContact CB-CB 4.05Å; N164-D167 PolarHBondContact ND2-OD2 3.15Å; N164-D167 PolarHBondContact O-N 3.15Å; N164-D167 PolarHBondContact OD1-N 2.98Å; D167-S169 VanDerWaalsContact C-N 3.34Å; D167-S169 PolarHBondContact O-N 3.03Å; D167-R170 PolarHBondContact O-N 2.81Å; D167-R170 VanDerWaalsContact O-N 3.14Å; D167-R170 IonicContact OD1-CZ 2.67Å; D167-R170 IonicContact OD1-NH1 2.75Å; D167-R170 PolarHBondContact OD1-NH1 3.41Å; D167-R170 IonicContact OD1-NH2 3.71Å; D167-R170 PolarHBondContact OD1-NH2 3.39Å; D167-L171 WeakPolarHBondContact O-CB 3.48Å; D167-L171 VanDerWaalsContact O-CG 3.3Å; D167-L171 WeakPolarHBondContact O-CG 3.37Å; D167-L171 PolarHBondContact O-N 3.03Å
168	V	86.8	Confident	86.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-53.8	-51	171.4	170.4	0	0	0	0	110.3	L156 A159 N164 R170 L171 I172 A200 A203 L204	L156-V168 HydrophobicContact CD1-CB 4.3Å; L156-V168 HydrophobicContact CD1-CG1 4.05Å; L156-V168 HydrophobicContact CD1-CG2 4.27Å; A159-V168 HydrophobicContact CB-CG2 3.77Å; N164-V168 WeakPolarHBondContact O-CG2 3.48Å; N164-V168 PolarHBondContact O-N 3.15Å; V168-R170 VanDerWaalsContact C-N 3.3Å; V168-R170 PolarHBondContact O-N 2.71Å; V168-L171 PolarHBondContact O-N 2.98Å; V168-I172 HydrophobicContact CG1-CD1 3.71Å; V168-I172 WeakPolarHBondContact O-CB 3.37Å; V168-I172 WeakPolarHBondContact O-CD1 3.29Å; V168-I172 VanDerWaalsContact O-CG1 3.23Å; V168-I172 WeakPolarHBondContact O-CG1 3.13Å; V168-I172 PolarHBondContact O-N 3.03Å; V168-I172 VanDerWaalsContact O-N 3.1Å; V168-A200 HydrophobicContact CG2-CB 4.43Å; V168-A203 HydrophobicContact CG1-CB 3.92Å; V168-L204 HydrophobicContact CG1-CD2 3.92Å; V168-L204 HydrophobicContact CG1-CG 3.91Å
169	S	88.3	Confident	87	Confident	49 Å²	49	58.8 Å²	58.8	34%	0.343	31%	0.309	S	S	.	.	H	α-helix	trans	-64.4	-31.4	178.7	-58.9	0	0	0	0	113.4	A165 Q166 D167 K173	A165-S169 VanDerWaalsContact O-CB 3.29Å; A165-S169 WeakPolarHBondContact O-CB 3.5Å; A165-S169 PolarHBondContact O-N 3.45Å; A165-S169 PolarHBondContact O-OG 3.39Å; Q166-S169 PolarHBondContact O-N 3.41Å; D167-S169 VanDerWaalsContact C-N 3.34Å; D167-S169 PolarHBondContact O-N 3.03Å; S169-K173 WeakPolarHBondContact O-CD 3.29Å; S169-K173 VanDerWaalsContact O-CG 3.27Å; S169-K173 WeakPolarHBondContact O-CG 3.21Å; S169-K173 PolarHBondContact O-N 3.37Å
170	R	89.3	Confident	87.1	Confident	128 Å²	128	61.3 Å²	61.3	48%	0.483	32%	0.32	S	S	.	.	H	α-helix	trans	-72.1	-50.5	176.5	-174.7	-177.4	66	-122	-10.4	110.6	Q166 D167 V168 I172 K173 E174	Q166-R170 WeakPolarHBondContact O-CB 3.42Å; Q166-R170 PolarHBondContact O-N 2.7Å; D167-R170 PolarHBondContact O-N 2.81Å; D167-R170 VanDerWaalsContact O-N 3.14Å; D167-R170 IonicContact OD1-CZ 2.67Å; D167-R170 IonicContact OD1-NH1 2.75Å; D167-R170 PolarHBondContact OD1-NH1 3.41Å; D167-R170 IonicContact OD1-NH2 3.71Å; D167-R170 PolarHBondContact OD1-NH2 3.39Å; V168-R170 VanDerWaalsContact C-N 3.3Å; V168-R170 PolarHBondContact O-N 2.71Å; R170-I172 VanDerWaalsContact C-N 3.31Å; R170-I172 PolarHBondContact O-N 2.73Å; R170-K173 CarbonylContact O-C 3.57Å; R170-K173 WeakPolarHBondContact O-CB 3.43Å; R170-K173 PolarHBondContact O-N 3.39Å; R170-K173 VanDerWaalsContact O-N 3.09Å; R170-E174 WeakPolarHBondContact CG-OE1 3.42Å; R170-E174 IonicContact NE-OE1 3.51Å; R170-E174 WeakPolarHBondContact O-CG 3.45Å; R170-E174 PolarHBondContact O-N 3.18Å
171	L	87.1	Confident	87.1	Confident	14 Å²	14	65.7 Å²	65.7	7%	0.073	34%	0.336	C	S	.	.	H	α-helix	trans	-60.9	-39.4	-178.1	-70.6	169.1	0	0	0	112	L156 A159 D167 V168 E174 G175 V176	L156-L171 HydrophobicContact CB-CD1 4.21Å; L156-L171 HydrophobicContact CD1-CB 4.26Å; L156-L171 HydrophobicContact CD1-CD1 4.38Å; A159-L171 HydrophobicContact CB-CD1 4.28Å; D167-L171 WeakPolarHBondContact O-CB 3.48Å; D167-L171 VanDerWaalsContact O-CG 3.3Å; D167-L171 WeakPolarHBondContact O-CG 3.37Å; D167-L171 PolarHBondContact O-N 3.03Å; V168-L171 PolarHBondContact O-N 2.98Å; L171-E174 WeakPolarHBondContact O-CB 3.03Å; L171-E174 PolarHBondContact O-N 2.93Å; L171-E174 VanDerWaalsContact O-N 3.16Å; L171-G175 PolarHBondContact O-N 3.1Å; L171-V176 HydrophobicContact CB-CG2 4.3Å; L171-V176 WeakPolarHBondContact O-CB 3.22Å; L171-V176 WeakPolarHBondContact O-CG2 3.49Å; L171-V176 PolarHBondContact O-N 3.1Å
172	I	87.3	Confident	87.2	Confident	35 Å²	35	62.2 Å²	62.2	18%	0.179	32%	0.323	C	S	.	.	H	α-helix	trans	-65.8	-40.8	175.2	-66.8	167.7	0	0	0	111.1	L156 V168 R170 E174 G175 P178 L204 A207	L156-I172 HydrophobicContact CD1-CD1 4.41Å; L156-I172 HydrophobicContact CD1-CG1 4.22Å; V168-I172 HydrophobicContact CG1-CD1 3.71Å; V168-I172 WeakPolarHBondContact O-CB 3.37Å; V168-I172 WeakPolarHBondContact O-CD1 3.29Å; V168-I172 VanDerWaalsContact O-CG1 3.23Å; V168-I172 WeakPolarHBondContact O-CG1 3.13Å; V168-I172 PolarHBondContact O-N 3.03Å; V168-I172 VanDerWaalsContact O-N 3.1Å; R170-I172 VanDerWaalsContact C-N 3.31Å; R170-I172 PolarHBondContact O-N 2.73Å; I172-E174 PolarHBondContact O-N 3.39Å; I172-G175 PolarHBondContact O-N 2.97Å; I172-P178 HydrophobicContact CD1-CG 4.28Å; I172-P178 HydrophobicContact CG1-CG 4.28Å; I172-P178 HydrophobicContact CG2-CG 4.35Å; I172-L204 HydrophobicContact CD1-CD2 4.09Å; I172-A207 HydrophobicContact CD1-CB 3.58Å; I172-A207 HydrophobicContact CG1-CB 4.44Å; I172-A207 HydrophobicContact CG2-CB 3.69Å
173	K	88.2	Confident	87.3	Confident	184 Å²	184	63.8 Å²	63.8	80%	0.8	32%	0.322	S	S	*	.	H	α-helix	trans	-65.2	-25.8	172.7	-75	173.6	-178.1	179.7	0	113.4	S169 R170 G175	S169-K173 WeakPolarHBondContact O-CD 3.29Å; S169-K173 VanDerWaalsContact O-CG 3.27Å; S169-K173 WeakPolarHBondContact O-CG 3.21Å; S169-K173 PolarHBondContact O-N 3.37Å; R170-K173 CarbonylContact O-C 3.57Å; R170-K173 WeakPolarHBondContact O-CB 3.43Å; R170-K173 PolarHBondContact O-N 3.39Å; R170-K173 VanDerWaalsContact O-N 3.09Å; K173-G175 PolarHBondContact O-N 3.39Å
174	E	87.6	Confident	87.7	Confident	89 Å²	89	61 Å²	61	42%	0.416	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	1.1	171.8	-70.1	-179.2	-139.3	0	0	113.6	K152 R170 L171 I172	K152-E174 IonicContact NZ-OE2 2.66Å; K152-E174 PolarHBondContact NZ-OE2 3.47Å; R170-E174 WeakPolarHBondContact CG-OE1 3.42Å; R170-E174 IonicContact NE-OE1 3.51Å; R170-E174 WeakPolarHBondContact O-CG 3.45Å; R170-E174 PolarHBondContact O-N 3.18Å; L171-E174 WeakPolarHBondContact O-CB 3.03Å; L171-E174 PolarHBondContact O-N 2.93Å; L171-E174 VanDerWaalsContact O-N 3.16Å; I172-E174 PolarHBondContact O-N 3.39Å
175	G	84.8	Confident	87.8	Confident	68 Å²	68	58.2 Å²	58.2	70%	0.701	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.6	13.8	173.7	0	0	0	0	0	115.6	L171 I172 K173	L171-G175 PolarHBondContact O-N 3.1Å; I172-G175 PolarHBondContact O-N 2.97Å; K173-G175 PolarHBondContact O-N 3.39Å
176	V	86.8	Confident	88.1	Confident	8 Å²	8	57.1 Å²	57.1	5%	0.048	28%	0.283	C	S	.	.			trans	-71.8	131	173.4	179.9	0	0	0	0	110.4	K152 D153 L156 L171 P178	K152-V176 HydrophobicContact CB-CG2 3.57Å; K152-V176 HydrophobicContact CD-CG2 4.31Å; D153-V176 WeakPolarHBondContact OD1-CG1 3.49Å; L156-V176 HydrophobicContact CB-CG1 4.04Å; L156-V176 HydrophobicContact CD2-CB 4.47Å; L156-V176 HydrophobicContact CD2-CG1 3.55Å; L156-V176 HydrophobicContact CG-CG1 4.37Å; L171-V176 HydrophobicContact CB-CG2 4.3Å; L171-V176 WeakPolarHBondContact O-CB 3.22Å; L171-V176 WeakPolarHBondContact O-CG2 3.49Å; L171-V176 PolarHBondContact O-N 3.1Å; V176-P178 WeakPolarHBondContact O-CD 3.34Å
177	D	88.3	Confident	88.3	Confident	85 Å²	85	49.7 Å²	49.7	46%	0.455	25%	0.248	S	C	.	.			trans	-69.9	119	176.1	-179.7	5	0	0	0	111	N179 H180	D177-N179 PolarHBondContact O-N 3.5Å; D177-N179 VanDerWaalsContact O-N 3.1Å; D177-N179 WeakPolarHBondContact OD1-CB 3.3Å; D177-N179 PolarHBondContact OD1-N 3.47Å; D177-H180 WeakPolarHBondContact O-CB 3.48Å; D177-H180 PolarHBondContact O-N 3.43Å
178	P	87.9	Confident	88.6	Confident	15 Å²	15	47.5 Å²	47.5	10%	0.097	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.9	175.4	-22.3	33.7	0	0	0	114.3	I172 V176 L204 A207 A209	I172-P178 HydrophobicContact CD1-CG 4.28Å; I172-P178 HydrophobicContact CG1-CG 4.28Å; I172-P178 HydrophobicContact CG2-CG 4.35Å; V176-P178 WeakPolarHBondContact O-CD 3.34Å; P178-L204 HydrophobicContact CB-CD2 4.44Å; P178-A207 HydrophobicContact CB-CB 4.47Å; P178-A207 HydrophobicContact CG-CB 3.8Å; P178-A209 HydrophobicContact CB-CB 3.85Å
179	N	90.9	Very high	89	Confident	51 Å²	51	47.5 Å²	47.5	27%	0.273	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	5.3	-179.8	-62.8	-65.4	0	0	0	113.8	D177 R181 G208 A209 D210	D177-N179 PolarHBondContact O-N 3.5Å; D177-N179 VanDerWaalsContact O-N 3.1Å; D177-N179 WeakPolarHBondContact OD1-CB 3.3Å; D177-N179 PolarHBondContact OD1-N 3.47Å; N179-R181 PolarHBondContact O-N 3.45Å; N179-G208 PolarHBondContact ND2-O 3.36Å; N179-G208 VanDerWaalsContact ND2-O 3.16Å; N179-A209 WeakPolarHBondContact OD1-CA 3.47Å; N179-D210 PolarHBondContact OD1-N 3.24Å
180	H	89.8	Confident	89.2	Confident	58 Å²	58	45.2 Å²	45.2	27%	0.269	22%	0.221	S	C	.	.			trans	-51.5	135.7	174.7	-176.9	102.9	0	0	0	111.1	D153 D177	D153-H180 VanDerWaalsContact CB-CE1 3.5Å; D153-H180 WeakPolarHBondContact CB-CE1 3.45Å; D153-H180 VanDerWaalsContact CG-CE1 3.46Å; D153-H180 VanDerWaalsContact CG-ND1 3.26Å; D153-H180 IonicContact OD1-ND1 3.86Å; D153-H180 IonicContact OD2-CE1 2.82Å; D153-H180 PolarHBondContact OD2-CE1 3.31Å; D153-H180 IonicContact OD2-CG 2.72Å; D153-H180 IonicContact OD2-ND1 2.71Å; D153-H180 PolarHBondContact OD2-ND1 3.17Å; D153-H180 IonicContact OD2-NE2 3.6Å; D177-H180 WeakPolarHBondContact O-CB 3.48Å; D177-H180 PolarHBondContact O-N 3.43Å
181	R	89.1	Confident	89.4	Confident	93 Å²	93	39.1 Å²	39.1	35%	0.351	20%	0.198	S	C	.	.	B	Isolated β-bridge	trans	-104.7	123.9	180	-72.2	-175.5	170.9	-127.4	-14.8	111.2	N179 W186 T187 G214 D216	N179-R181 PolarHBondContact O-N 3.45Å; R181-W186 WeakPolarHBondContact CA-O 3.5Å; R181-T187 HydrophobicContact CG-CG2 4.06Å; R181-G214 PolarHBondContact NH1-O 3.37Å; R181-G214 PolarHBondContact NH2-O 2.9Å; R181-D216 IonicContact CZ-OD2 2.81Å; R181-D216 IonicContact NH1-OD1 3.03Å; R181-D216 PolarHBondContact NH1-OD1 3.22Å; R181-D216 IonicContact NH1-OD2 2.71Å; R181-D216 PolarHBondContact NH1-OD2 3.16Å
182	H	90.4	Very high	89.7	Confident	9 Å²	9	38.4 Å²	38.4	4%	0.042	19%	0.194	C	C	.	.			trans	-55.5	156.6	171	-174.5	-123.4	0	0	0	111.7	D154 L157 L184 G185 W186 E241	D154-H182 IonicContact OD1-CD2 2.74Å; L157-H182 HydrophobicContact CD1-CB 3.66Å; H182-L184 PolarHBondContact O-N 2.87Å; H182-G185 PolarHBondContact O-N 2.89Å; H182-W186 HydrophobicContact CB-CD2 3.98Å; H182-W186 HydrophobicContact CB-CG 4.08Å; H182-W186 HydrophobicContact CB-CZ2 4.38Å; H182-W186 AromaticContact CE1-CH2 3.77Å; H182-W186 AromaticContact CE1-CZ2 3.53Å; H182-W186 AromaticContact CG-CE2 3.68Å; H182-W186 AromaticContact CG-CZ2 3.82Å; H182-W186 AromaticContact CG-NE1 3.78Å; H182-W186 PolarHBondContact N-O 3.45Å; H182-W186 AromaticContact ND1-CD2 3.82Å; H182-W186 AromaticContact ND1-CE2 3.24Å; H182-W186 AromaticContact ND1-CH2 3.33Å; H182-W186 VanDerWaalsContact ND1-CH2 3.33Å; H182-W186 WeakPolarHBondContact ND1-CH2 3.3Å; H182-W186 AromaticContact ND1-CZ2 2.97Å; H182-W186 WeakPolarHBondContact ND1-CZ2 3.4Å; H182-W186 AromaticContact ND1-CZ3 3.82Å; H182-W186 AromaticContact ND1-NE1 3.82Å; H182-E241 IonicContact CE1-OE2 2.86Å; H182-E241 PolarHBondContact CE1-OE2 3.06Å; H182-E241 IonicContact ND1-OE2 2.7Å; H182-E241 IonicContact NE2-OE2 3.28Å; H182-E241 PolarHBondContact NE2-OE2 2.83Å
183	R	87.3	Confident	90	Very high	104 Å²	104	36.8 Å²	36.8	39%	0.392	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49	-28.2	-178.7	75.6	-150.4	-175.2	109.8	2	114.4	K227 E233 S237	R183-K227 WeakPolarHBondContact O-CE 3.37Å; R183-K227 PolarHBondContact O-NZ 2.89Å; R183-E233 IonicContact CZ-OE1 3.33Å; R183-E233 VanDerWaalsContact CZ-OE1 3.28Å; R183-E233 IonicContact NH1-OE1 2.91Å; R183-E233 PolarHBondContact NH1-OE1 3.42Å; R183-E233 IonicContact NH2-OE1 3.54Å; R183-E233 PolarHBondContact NH2-OE1 3.33Å; R183-S237 PolarHBondContact NH2-OG 2.84Å
184	L	86.7	Confident	90.2	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-5.6	-179.6	-65.9	177.5	0	0	0	115.8	H182 W186 F217 I229 V234	H182-L184 PolarHBondContact O-N 2.87Å; L184-W186 HydrophobicContact CB-CE3 3.75Å; L184-W186 HydrophobicContact CB-CH2 3.96Å; L184-W186 HydrophobicContact CB-CZ3 3.29Å; L184-W186 HydrophobicContact CD1-CH2 3.71Å; L184-W186 HydrophobicContact CD1-CZ3 3.71Å; L184-W186 HydrophobicContact CG-CH2 4.39Å; L184-W186 HydrophobicContact CG-CZ3 4.12Å; L184-F217 HydrophobicContact CB-CD2 4.46Å; L184-I229 HydrophobicContact CD2-CD1 4.06Å; L184-V234 HydrophobicContact CD1-CG1 4.28Å; L184-V234 HydrophobicContact CD2-CG1 4.16Å; L184-V234 HydrophobicContact CD2-CG2 4.19Å
185	G	87.1	Confident	90.4	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.01	14%	0.137	C	C	.	.	S	Bend	trans	124.7	-9.6	165.4	0	0	0	0	0	119	H182 D216	H182-G185 PolarHBondContact O-N 2.89Å; G185-D216 PolarHBondContact O-N 3.02Å
186	W	91.3	Very high	90.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.123	C	C	.	.			trans	-99.6	159.4	-171.3	62.7	79	0	0	0	114.1	R181 H182 L184 M190 D215 F217 R238 E241 F242	R181-W186 WeakPolarHBondContact CA-O 3.5Å; H182-W186 HydrophobicContact CB-CD2 3.98Å; H182-W186 HydrophobicContact CB-CG 4.08Å; H182-W186 HydrophobicContact CB-CZ2 4.38Å; H182-W186 AromaticContact CE1-CH2 3.77Å; H182-W186 AromaticContact CE1-CZ2 3.53Å; H182-W186 AromaticContact CG-CE2 3.68Å; H182-W186 AromaticContact CG-CZ2 3.82Å; H182-W186 AromaticContact CG-NE1 3.78Å; H182-W186 PolarHBondContact N-O 3.45Å; H182-W186 AromaticContact ND1-CD2 3.82Å; H182-W186 AromaticContact ND1-CE2 3.24Å; H182-W186 AromaticContact ND1-CH2 3.33Å; H182-W186 VanDerWaalsContact ND1-CH2 3.33Å; H182-W186 WeakPolarHBondContact ND1-CH2 3.3Å; H182-W186 AromaticContact ND1-CZ2 2.97Å; H182-W186 WeakPolarHBondContact ND1-CZ2 3.4Å; H182-W186 AromaticContact ND1-CZ3 3.82Å; H182-W186 AromaticContact ND1-NE1 3.82Å; L184-W186 HydrophobicContact CB-CE3 3.75Å; L184-W186 HydrophobicContact CB-CH2 3.96Å; L184-W186 HydrophobicContact CB-CZ3 3.29Å; L184-W186 HydrophobicContact CD1-CH2 3.71Å; L184-W186 HydrophobicContact CD1-CZ3 3.71Å; L184-W186 HydrophobicContact CG-CH2 4.39Å; L184-W186 HydrophobicContact CG-CZ3 4.12Å; W186-M190 HydrophobicContact CB-SD 3.87Å; W186-D215 PolarHBondContact N-OD1 2.83Å; W186-F217 HydrophobicContact CZ3-CD2 4.44Å; W186-R238 HydrophobicContact CH2-CB 4.38Å; W186-E241 HydrophobicContact CZ2-CB 4.11Å; W186-F242 HydrophobicContact CB-CD2 3.98Å; W186-F242 HydrophobicContact CB-CE2 3.81Å; W186-F242 AromaticContact CD1-CD2 3.7Å; W186-F242 HydrophobicContact CD2-CB 4.46Å; W186-F242 AromaticContact CD2-CD2 3.68Å; W186-F242 HydrophobicContact CD2-CD2 3.68Å; W186-F242 HydrophobicContact CD2-CE2 4.42Å; W186-F242 HydrophobicContact CD2-CG 4.46Å; W186-F242 AromaticContact CE2-CD2 3.82Å; W186-F242 HydrophobicContact CE3-CD2 4.36Å; W186-F242 AromaticContact CG-CD2 3.53Å; W186-F242 HydrophobicContact CG-CD2 3.53Å; W186-F242 AromaticContact CG-CE2 3.9Å; W186-F242 HydrophobicContact CG-CE2 3.9Å; W186-F242 HydrophobicContact CH2-CB 4.16Å; W186-F242 HydrophobicContact CZ2-CB 3.85Å; W186-F242 AromaticContact NE1-CD2 3.88Å
187	T	93.6	Very high	91	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.018	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-104.1	163.2	175.7	65.2	0	0	0	0	112.5	R181 L189 M190 V191	R181-T187 HydrophobicContact CG-CG2 4.06Å; T187-L189 PolarHBondContact O-N 3.16Å; T187-M190 HydrophobicContact CG2-CE 4.44Å; T187-M190 PolarHBondContact O-N 3.47Å; T187-V191 PolarHBondContact O-N 3.23Å
188	A	92.3	Very high	91.1	Very high	2 Å²	2	27.4 Å²	27.4	2%	0.017	12%	0.12	C	C	.	.	H	α-helix	trans	-57	-35.3	176	0	0	0	0	0	113	L156 L157 A160 M190 V191 A192 L204	L156-A188 HydrophobicContact CD2-CB 4.4Å; L156-A188 HydrophobicContact CG-CB 4.21Å; L157-A188 HydrophobicContact CD2-CB 4.01Å; A160-A188 HydrophobicContact CB-CB 3.97Å; A188-M190 PolarHBondContact O-N 2.84Å; A188-V191 PolarHBondContact O-N 2.8Å; A188-A192 PolarHBondContact O-N 2.94Å; A188-L204 HydrophobicContact CB-CD1 3.98Å; A188-L204 HydrophobicContact CB-CD2 3.99Å
189	L	94.3	Very high	91.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65	-37	179.1	-173.5	65	0	0	0	112.5	T187 A193 V201 L204 L205 A209 P211 A257 L273	T187-L189 PolarHBondContact O-N 3.16Å; L189-A193 VanDerWaalsContact O-CB 3.28Å; L189-A193 WeakPolarHBondContact O-CB 3.41Å; L189-A193 PolarHBondContact O-N 2.67Å; L189-V201 HydrophobicContact CD1-CB 4.49Å; L189-V201 HydrophobicContact CD1-CG1 4.11Å; L189-L204 HydrophobicContact CB-CD1 4.43Å; L189-L204 HydrophobicContact CD1-CB 4.04Å; L189-L204 HydrophobicContact CD1-CD1 4.42Å; L189-L205 HydrophobicContact CD1-CD2 3.98Å; L189-L205 HydrophobicContact CD1-CG 3.94Å; L189-L205 HydrophobicContact CD2-CD2 3.73Å; L189-A209 HydrophobicContact CB-CB 4.34Å; L189-A209 HydrophobicContact CD2-CB 4.1Å; L189-P211 HydrophobicContact CD2-CB 4.17Å; L189-A257 HydrophobicContact CD2-CB 4Å; L189-A257 HydrophobicContact CG-CB 3.81Å; L189-L273 HydrophobicContact CD1-CD2 4.11Å; L189-L273 HydrophobicContact CD2-CD2 4.01Å; L189-L273 HydrophobicContact CG-CD2 4.15Å
190	M	94.2	Very high	91.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.7	-40.7	174.4	-62.5	167.5	-175	0	0	111.9	W186 T187 A188 A193 M194 A213 G214 D215 F242 A257 Y260	W186-M190 HydrophobicContact CB-SD 3.87Å; T187-M190 HydrophobicContact CG2-CE 4.44Å; T187-M190 PolarHBondContact O-N 3.47Å; A188-M190 PolarHBondContact O-N 2.84Å; M190-A193 PolarHBondContact O-N 2.96Å; M190-M194 WeakPolarHBondContact O-CB 3.42Å; M190-M194 PolarHBondContact O-N 3.37Å; M190-A213 HydrophobicContact CE-CB 4.37Å; M190-A213 WeakPolarHBondContact CE-O 3.41Å; M190-G214 VanDerWaalsContact CE-C 3.46Å; M190-D215 HydrophobicContact CE-CB 4.15Å; M190-D215 VanDerWaalsContact CE-N 3.31Å; M190-D215 HydrophobicContact SD-CB 3.83Å; M190-F242 HydrophobicContact CB-CE2 3.81Å; M190-F242 HydrophobicContact CB-CZ 4.07Å; M190-A257 HydrophobicContact CG-CB 4.43Å; M190-Y260 HydrophobicContact CB-CD2 3.81Å; M190-Y260 HydrophobicContact CB-CE2 4.04Å; M190-Y260 HydrophobicContact CG-CD2 3.96Å; M190-Y260 HydrophobicContact CG-CE2 4.04Å; M190-Y260 HydrophobicContact SD-CE2 4.12Å
191	V	92.6	Very high	91.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.8	-46.7	177.2	178.5	0	0	0	0	110.5	L157 R161 T187 A188 N195 F242	L157-V191 HydrophobicContact CD2-CG2 4.43Å; R161-V191 HydrophobicContact CB-CG1 3.71Å; R161-V191 HydrophobicContact CG-CG1 3.95Å; T187-V191 PolarHBondContact O-N 3.23Å; A188-V191 PolarHBondContact O-N 2.8Å; V191-N195 WeakPolarHBondContact O-CB 2.97Å; V191-N195 PolarHBondContact O-N 3.18Å; V191-N195 VanDerWaalsContact O-N 3.15Å; V191-N195 PolarHBondContact O-ND2 3.08Å; V191-F242 HydrophobicContact CG2-CD2 3.56Å; V191-F242 HydrophobicContact CG2-CE2 3.89Å; V191-F242 HydrophobicContact CG2-CG 4.39Å
192	A	93.4	Very high	91.6	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.4	-43.8	177.4	0	0	0	0	0	111.9	A160 A188 N195 R196 Q197 A200 V201 L204	A160-A192 HydrophobicContact CB-CB 4.25Å; A188-A192 PolarHBondContact O-N 2.94Å; A192-N195 PolarHBondContact O-N 3.19Å; A192-R196 PolarHBondContact O-N 3Å; A192-Q197 HydrophobicContact CB-CB 4.31Å; A192-Q197 PolarHBondContact O-N 3.16Å; A192-A200 HydrophobicContact CB-CB 4.03Å; A192-V201 HydrophobicContact CB-CG2 3.63Å; A192-L204 HydrophobicContact CB-CD1 4.11Å
193	A	93.7	Very high	91.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.7	-48.1	177.8	0	0	0	0	0	112.7	L189 M190 N195 R196 A257 A261 L273	L189-A193 VanDerWaalsContact O-CB 3.28Å; L189-A193 WeakPolarHBondContact O-CB 3.41Å; L189-A193 PolarHBondContact O-N 2.67Å; M190-A193 PolarHBondContact O-N 2.96Å; A193-N195 VanDerWaalsContact C-N 3.26Å; A193-N195 PolarHBondContact O-N 2.74Å; A193-R196 PolarHBondContact O-N 2.84Å; A193-A257 HydrophobicContact CB-CB 4.39Å; A193-A257 WeakPolarHBondContact CB-O 3.44Å; A193-A261 HydrophobicContact CB-CB 4.24Å; A193-L273 HydrophobicContact CB-CD1 4.37Å
194	M	92.1	Very high	91.9	Very high	8 Å²	8	20.1 Å²	20.1	4%	0.039	10%	0.098	C	C	.	.	H	α-helix	trans	-64.4	-31.6	179.6	-172.5	62.6	-152	0	0	112.7	M190 F242 R245 L246 Y260 L263 A264	M190-M194 WeakPolarHBondContact O-CB 3.42Å; M190-M194 PolarHBondContact O-N 3.37Å; M194-F242 HydrophobicContact CB-CE1 3.83Å; M194-F242 HydrophobicContact CB-CZ 4.17Å; M194-F242 HydrophobicContact CG-CD1 4.46Å; M194-F242 HydrophobicContact CG-CE1 3.8Å; M194-R245 HydrophobicContact CE-CB 3.87Å; M194-L246 HydrophobicContact CE-CD2 3.65Å; M194-L246 HydrophobicContact CE-CG 4.27Å; M194-L246 HydrophobicContact SD-CD2 3.88Å; M194-L246 HydrophobicContact SD-CG 4.5Å; M194-Y260 HydrophobicContact CB-CD1 4.47Å; M194-Y260 HydrophobicContact CB-CG 4.5Å; M194-Y260 HydrophobicContact SD-CD1 3.96Å; M194-L263 HydrophobicContact SD-CB 4.49Å; M194-A264 HydrophobicContact SD-CB 4.36Å
195	N	91.8	Very high	92.2	Very high	27 Å²	27	21.2 Å²	21.2	14%	0.144	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	4.6	-178.1	-66.9	-61.6	0	0	0	114.1	V191 A192 A193 Q197 F242 S243	V191-N195 WeakPolarHBondContact O-CB 2.97Å; V191-N195 PolarHBondContact O-N 3.18Å; V191-N195 VanDerWaalsContact O-N 3.15Å; V191-N195 PolarHBondContact O-ND2 3.08Å; A192-N195 PolarHBondContact O-N 3.19Å; A193-N195 VanDerWaalsContact C-N 3.26Å; A193-N195 PolarHBondContact O-N 2.74Å; N195-Q197 HydrophobicContact CB-CG 3.96Å; N195-F242 PolarHBondContact ND2-O 2.8Å; N195-S243 PolarHBondContact OD1-OG 2.99Å
196	R	92.5	Very high	92.4	Very high	111 Å²	111	28 Å²	28	42%	0.419	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	37.3	179.6	-52.8	-176.1	174.2	-174.3	-9.9	114.5	A192 A193 H198 A264 D265 D266	A192-R196 PolarHBondContact O-N 3Å; A193-R196 PolarHBondContact O-N 2.84Å; R196-H198 PolarHBondContact O-CE1 3.01Å; R196-H198 VanDerWaalsContact O-CE1 3.25Å; R196-H198 PolarHBondContact O-N 2.88Å; R196-H198 PolarHBondContact O-ND1 3.43Å; R196-A264 HydrophobicContact CG-CB 4.18Å; R196-A264 PolarHBondContact NE-O 3.41Å; R196-A264 PolarHBondContact NH2-O 3.38Å; R196-D265 PolarHBondContact NH2-O 3.35Å; R196-D266 VanDerWaalsContact CA-OD2 3.29Å; R196-D266 WeakPolarHBondContact CA-OD2 3.33Å; R196-D266 VanDerWaalsContact CB-OD2 3.32Å; R196-D266 WeakPolarHBondContact CB-OD2 3.35Å; R196-D266 HydrophobicContact CG-CB 4.14Å
197	Q	92.3	Very high	92.3	Very high	37 Å²	37	29.8 Å²	29.8	17%	0.173	15%	0.15	C	C	.	.			trans	-96.2	75	-174.4	-54.4	-63	27.3	0	0	111.5	R161 N163 A192 N195 S199 A200 V201	R161-Q197 PolarHBondContact O-NE2 2.95Å; N163-Q197 HydrophobicContact CB-CB 4.29Å; N163-Q197 VanDerWaalsContact CB-CD 3.46Å; N163-Q197 HydrophobicContact CB-CG 4.27Å; A192-Q197 HydrophobicContact CB-CB 4.31Å; A192-Q197 PolarHBondContact O-N 3.16Å; N195-Q197 HydrophobicContact CB-CG 3.96Å; Q197-S199 VanDerWaalsContact C-N 3.28Å; Q197-S199 PolarHBondContact O-N 2.88Å; Q197-A200 HydrophobicContact CB-CB 3.97Å; Q197-A200 PolarHBondContact O-N 3.14Å; Q197-A200 VanDerWaalsContact O-N 3.12Å; Q197-V201 WeakPolarHBondContact O-CG2 3.36Å; Q197-V201 PolarHBondContact O-N 3.35Å
198	H	90.3	Very high	92.1	Very high	55 Å²	55	32 Å²	32	26%	0.255	17%	0.173	S	C	.	.	H	α-helix	trans	-54.5	-40.9	-173.4	-46.3	99.3	0	0	0	113.9	R196 V201 K202 D266 L268 L272	R196-H198 PolarHBondContact O-CE1 3.01Å; R196-H198 VanDerWaalsContact O-CE1 3.25Å; R196-H198 PolarHBondContact O-N 2.88Å; R196-H198 PolarHBondContact O-ND1 3.43Å; H198-V201 PolarHBondContact O-N 3.23Å; H198-K202 WeakPolarHBondContact O-CB 3.42Å; H198-K202 PolarHBondContact O-N 3.41Å; H198-D266 IonicContact CD2-OD1 3.1Å; H198-D266 IonicContact CD2-OD2 3.71Å; H198-D266 PolarHBondContact CD2-OD2 3.09Å; H198-D266 IonicContact CE1-OD1 2.7Å; H198-D266 IonicContact CE1-OD2 3.85Å; H198-D266 IonicContact NE2-OD1 2.9Å; H198-D266 PolarHBondContact NE2-OD1 3.33Å; H198-D266 IonicContact NE2-OD2 3.34Å; H198-D266 PolarHBondContact NE2-OD2 3.37Å; H198-L268 WeakPolarHBondContact CD2-CB 3.4Å; H198-L272 HydrophobicContact CB-CD1 4.37Å
199	S	92	Very high	92.1	Very high	62 Å²	62	32.1 Å²	32.1	43%	0.434	17%	0.174	S	C	.	.	H	α-helix	trans	-69.4	-38.2	-178.1	-52.9	0	0	0	0	111.4	Q197 A203	Q197-S199 VanDerWaalsContact C-N 3.28Å; Q197-S199 PolarHBondContact O-N 2.88Å; S199-A203 WeakPolarHBondContact O-CB 3.46Å; S199-A203 PolarHBondContact O-N 2.87Å; S199-A203 VanDerWaalsContact O-N 3.07Å
200	A	90.8	Very high	92	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-69.8	-42.8	172.8	0	0	0	0	0	112	V168 A192 Q197 K202 A203 L204	V168-A200 HydrophobicContact CG2-CB 4.43Å; A192-A200 HydrophobicContact CB-CB 4.03Å; Q197-A200 HydrophobicContact CB-CB 3.97Å; Q197-A200 PolarHBondContact O-N 3.14Å; Q197-A200 VanDerWaalsContact O-N 3.12Å; A200-K202 VanDerWaalsContact C-N 3.34Å; A200-K202 PolarHBondContact O-N 3.35Å; A200-A203 PolarHBondContact O-N 3.43Å; A200-L204 WeakPolarHBondContact O-CB 3.46Å; A200-L204 WeakPolarHBondContact O-CD1 3.26Å; A200-L204 VanDerWaalsContact O-CG 3.28Å; A200-L204 WeakPolarHBondContact O-CG 3.4Å; A200-L204 PolarHBondContact O-N 2.95Å
201	V	92.6	Very high	91.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-55.4	-49.7	173.5	169.3	0	0	0	0	110.3	L189 A192 Q197 H198 L204 L205 L272 L273	L189-V201 HydrophobicContact CD1-CB 4.49Å; L189-V201 HydrophobicContact CD1-CG1 4.11Å; A192-V201 HydrophobicContact CB-CG2 3.63Å; Q197-V201 WeakPolarHBondContact O-CG2 3.36Å; Q197-V201 PolarHBondContact O-N 3.35Å; H198-V201 PolarHBondContact O-N 3.23Å; V201-L204 PolarHBondContact O-N 3.04Å; V201-L205 HydrophobicContact CG1-CD1 3.67Å; V201-L205 HydrophobicContact CG1-CG 4.42Å; V201-L205 VanDerWaalsContact O-CG 3.24Å; V201-L205 WeakPolarHBondContact O-CG 3.2Å; V201-L205 PolarHBondContact O-N 3.1Å; V201-L272 HydrophobicContact CG1-CB 4.21Å; V201-L272 HydrophobicContact CG1-CD1 4.37Å; V201-L273 HydrophobicContact CG1-CD2 4.38Å; V201-L273 HydrophobicContact CG1-CG 4.31Å
202	K	93.1	Very high	92	Very high	104 Å²	104	38 Å²	38	45%	0.452	21%	0.206	S	C	.	.	H	α-helix	trans	-60.1	-48.5	178.6	-177.3	172.1	172.8	174.3	0	112.3	H198 A200 L204 L205 E206 L272	H198-K202 WeakPolarHBondContact O-CB 3.42Å; H198-K202 PolarHBondContact O-N 3.41Å; A200-K202 VanDerWaalsContact C-N 3.34Å; A200-K202 PolarHBondContact O-N 3.35Å; K202-L204 VanDerWaalsContact C-N 3.33Å; K202-L204 PolarHBondContact O-N 2.7Å; K202-L205 PolarHBondContact O-N 3.1Å; K202-E206 WeakPolarHBondContact CE-OE1 3.43Å; K202-E206 HydrophobicContact CG-CG 4.43Å; K202-E206 IonicContact NZ-OE1 3.46Å; K202-E206 WeakPolarHBondContact O-CG 3.37Å; K202-E206 PolarHBondContact O-N 3.07Å; K202-L272 HydrophobicContact CB-CD1 4.27Å
203	A	91.6	Very high	91.9	Very high	10 Å²	10	38.8 Å²	38.8	8%	0.083	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-37.2	179.8	0	0	0	0	0	113	A165 V168 S199 A200 A207	A165-A203 HydrophobicContact CB-CB 4.44Å; V168-A203 HydrophobicContact CG1-CB 3.92Å; S199-A203 WeakPolarHBondContact O-CB 3.46Å; S199-A203 PolarHBondContact O-N 2.87Å; S199-A203 VanDerWaalsContact O-N 3.07Å; A200-A203 PolarHBondContact O-N 3.43Å; A203-A207 WeakPolarHBondContact O-CB 3.43Å; A203-A207 PolarHBondContact O-N 2.98Å
204	L	92	Very high	91.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-68.5	-40	175.7	-72.8	165.3	0	0	0	112.2	L156 A160 V168 I172 P178 A188 L189 A192 A200 V201 K202 A207 G208 A209	L156-L204 HydrophobicContact CD1-CD2 4.31Å; L156-L204 HydrophobicContact CD2-CD2 4.45Å; A160-L204 HydrophobicContact CB-CD1 4.1Å; V168-L204 HydrophobicContact CG1-CD2 3.92Å; V168-L204 HydrophobicContact CG1-CG 3.91Å; I172-L204 HydrophobicContact CD1-CD2 4.09Å; P178-L204 HydrophobicContact CB-CD2 4.44Å; A188-L204 HydrophobicContact CB-CD1 3.98Å; A188-L204 HydrophobicContact CB-CD2 3.99Å; L189-L204 HydrophobicContact CB-CD1 4.43Å; L189-L204 HydrophobicContact CD1-CB 4.04Å; L189-L204 HydrophobicContact CD1-CD1 4.42Å; A192-L204 HydrophobicContact CB-CD1 4.11Å; A200-L204 WeakPolarHBondContact O-CB 3.46Å; A200-L204 WeakPolarHBondContact O-CD1 3.26Å; A200-L204 VanDerWaalsContact O-CG 3.28Å; A200-L204 WeakPolarHBondContact O-CG 3.4Å; A200-L204 PolarHBondContact O-N 2.95Å; V201-L204 PolarHBondContact O-N 3.04Å; K202-L204 VanDerWaalsContact C-N 3.33Å; K202-L204 PolarHBondContact O-N 2.7Å; L204-A207 WeakPolarHBondContact O-CB 3.49Å; L204-A207 PolarHBondContact O-N 3.39Å; L204-G208 PolarHBondContact O-N 3.13Å; L204-A209 HydrophobicContact CB-CB 4.06Å; L204-A209 WeakPolarHBondContact O-CB 3.39Å; L204-A209 PolarHBondContact O-N 2.83Å
205	L	92.9	Very high	91.8	Very high	26 Å²	26	39.1 Å²	39.1	14%	0.136	22%	0.218	C	C	.	.	H	α-helix	trans	-69.6	-41.7	177.5	-67.4	169.4	0	0	0	112	L189 V201 K202 A207 G208 P211 L272 L273 A276	L189-L205 HydrophobicContact CD1-CD2 3.98Å; L189-L205 HydrophobicContact CD1-CG 3.94Å; L189-L205 HydrophobicContact CD2-CD2 3.73Å; V201-L205 HydrophobicContact CG1-CD1 3.67Å; V201-L205 HydrophobicContact CG1-CG 4.42Å; V201-L205 VanDerWaalsContact O-CG 3.24Å; V201-L205 WeakPolarHBondContact O-CG 3.2Å; V201-L205 PolarHBondContact O-N 3.1Å; K202-L205 PolarHBondContact O-N 3.1Å; L205-A207 PolarHBondContact O-N 3.27Å; L205-G208 PolarHBondContact O-N 2.95Å; L205-P211 HydrophobicContact CD2-CB 4.24Å; L205-P211 HydrophobicContact CD2-CG 4.48Å; L205-L272 HydrophobicContact CD1-CB 4.28Å; L205-L273 HydrophobicContact CD1-CD2 4.17Å; L205-L273 HydrophobicContact CD2-CD2 4.24Å; L205-A276 HydrophobicContact CB-CB 4.13Å; L205-A276 HydrophobicContact CD1-CB 3.8Å; L205-A276 HydrophobicContact CD2-CB 3.73Å; L205-A276 HydrophobicContact CG-CB 4.09Å
206	E	91.1	Very high	91.7	Very high	142 Å²	142	41.1 Å²	41.1	66%	0.664	23%	0.229	S	C	*	.	H	α-helix	trans	-61.2	-26.2	172.9	-74.1	177.2	172.4	0	0	112.5	K202	K202-E206 WeakPolarHBondContact CE-OE1 3.43Å; K202-E206 HydrophobicContact CG-CG 4.43Å; K202-E206 IonicContact NZ-OE1 3.46Å; K202-E206 WeakPolarHBondContact O-CG 3.37Å; K202-E206 PolarHBondContact O-N 3.07Å
207	A	89.8	Confident	91.5	Very high	38 Å²	38	36 Å²	36	31%	0.314	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-3.8	174.3	0	0	0	0	0	115.1	I172 P178 A203 L204 L205	I172-A207 HydrophobicContact CD1-CB 3.58Å; I172-A207 HydrophobicContact CG1-CB 4.44Å; I172-A207 HydrophobicContact CG2-CB 3.69Å; P178-A207 HydrophobicContact CB-CB 4.47Å; P178-A207 HydrophobicContact CG-CB 3.8Å; A203-A207 WeakPolarHBondContact O-CB 3.43Å; A203-A207 PolarHBondContact O-N 2.98Å; L204-A207 WeakPolarHBondContact O-CB 3.49Å; L204-A207 PolarHBondContact O-N 3.39Å; L205-A207 PolarHBondContact O-N 3.27Å
208	G	89.5	Confident	91.3	Very high	49 Å²	49	35.8 Å²	35.8	51%	0.505	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	25.9	-179.2	0	0	0	0	0	115.5	N179 L204 L205	N179-G208 PolarHBondContact ND2-O 3.36Å; N179-G208 VanDerWaalsContact ND2-O 3.16Å; L204-G208 PolarHBondContact O-N 3.13Å; L205-G208 PolarHBondContact O-N 2.95Å
209	A	91.8	Very high	91.1	Very high	5 Å²	5	34.4 Å²	34.4	4%	0.041	20%	0.204	C	C	.	.			trans	-63.7	131.8	164.9	0	0	0	0	0	110.7	P178 N179 L189 L204 P211	P178-A209 HydrophobicContact CB-CB 3.85Å; N179-A209 WeakPolarHBondContact OD1-CA 3.47Å; L189-A209 HydrophobicContact CB-CB 4.34Å; L189-A209 HydrophobicContact CD2-CB 4.1Å; L204-A209 HydrophobicContact CB-CB 4.06Å; L204-A209 WeakPolarHBondContact O-CB 3.39Å; L204-A209 PolarHBondContact O-N 2.83Å; A209-P211 VanDerWaalsContact O-CD 3.3Å; A209-P211 WeakPolarHBondContact O-CD 3.27Å
210	D	92.5	Very high	90.9	Very high	71 Å²	71	31.8 Å²	31.8	38%	0.38	19%	0.185	S	C	.	.			trans	-77.7	114.6	179.7	176.8	18.2	0	0	0	111.1	N179 N212 A213	N179-D210 PolarHBondContact OD1-N 3.24Å; D210-N212 PolarHBondContact O-N 3.46Å; D210-N212 WeakPolarHBondContact OD1-CB 3.43Å; D210-N212 PolarHBondContact OD1-N 3.19Å; D210-N212 PolarHBondContact OD1-ND2 3.25Å; D210-A213 HydrophobicContact CB-CB 4.45Å; D210-A213 PolarHBondContact OD2-N 2.94Å
211	P	92.3	Very high	90.8	Very high	8 Å²	8	38.6 Å²	38.6	5%	0.052	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.4	177.2	30.9	-35.7	0	0	0	113.9	L189 L205 A209 L273 A278	L189-P211 HydrophobicContact CD2-CB 4.17Å; L205-P211 HydrophobicContact CD2-CB 4.24Å; L205-P211 HydrophobicContact CD2-CG 4.48Å; A209-P211 VanDerWaalsContact O-CD 3.3Å; A209-P211 WeakPolarHBondContact O-CD 3.27Å; P211-L273 HydrophobicContact CB-CD2 3.95Å; P211-A278 HydrophobicContact CB-CB 3.88Å; P211-A278 HydrophobicContact CG-CB 4.26Å
212	N	93.6	Very high	90.5	Very high	46 Å²	46	41.1 Å²	41.1	25%	0.246	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-5.3	-177.4	-57.1	-67.1	0	0	0	113.5	D210 G214 G277 A278 N279 Q282	D210-N212 PolarHBondContact O-N 3.46Å; D210-N212 WeakPolarHBondContact OD1-CB 3.43Å; D210-N212 PolarHBondContact OD1-N 3.19Å; D210-N212 PolarHBondContact OD1-ND2 3.25Å; N212-G214 PolarHBondContact O-N 3.42Å; N212-G277 PolarHBondContact ND2-O 3.24Å; N212-A278 WeakPolarHBondContact OD1-CA 3.32Å; N212-N279 VanDerWaalsContact OD1-CB 3.29Å; N212-N279 WeakPolarHBondContact OD1-CB 3.35Å; N212-N279 PolarHBondContact OD1-N 3.03Å; N212-Q282 PolarHBondContact O-NE2 3.25Å; N212-Q282 PolarHBondContact O-OE1 3.49Å
213	A	92.1	Very high	90.3	Very high	15 Å²	15	36.3 Å²	36.3	12%	0.124	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-57.5	126.1	169.6	0	0	0	0	0	110.1	M190 D210 T256	M190-A213 HydrophobicContact CE-CB 4.37Å; M190-A213 WeakPolarHBondContact CE-O 3.41Å; D210-A213 HydrophobicContact CB-CB 4.45Å; D210-A213 PolarHBondContact OD2-N 2.94Å; A213-T256 WeakPolarHBondContact O-CA 3.45Å
214	G	91	Very high	90.2	Very high	14 Å²	14	36.8 Å²	36.8	14%	0.144	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-96.1	143.9	175	0	0	0	0	0	112.3	R181 M190 N212	R181-G214 PolarHBondContact NH1-O 3.37Å; R181-G214 PolarHBondContact NH2-O 2.9Å; M190-G214 VanDerWaalsContact CE-C 3.46Å; N212-G214 PolarHBondContact O-N 3.42Å
215	D	92.1	Very high	90	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-65.9	134.8	177.9	-164.7	-12.4	0	0	0	110.9	W186 M190 F217 R238 R253 G254 C255 Y260	W186-D215 PolarHBondContact N-OD1 2.83Å; M190-D215 HydrophobicContact CE-CB 4.15Å; M190-D215 VanDerWaalsContact CE-N 3.31Å; M190-D215 HydrophobicContact SD-CB 3.83Å; D215-F217 VanDerWaalsContact C-N 3.28Å; D215-F217 WeakPolarHBondContact OD1-CB 3.23Å; D215-F217 PolarHBondContact OD1-N 3.36Å; D215-R238 IonicContact OD1-NH1 3.36Å; D215-R238 IonicContact OD2-CZ 3.58Å; D215-R238 IonicContact OD2-NH1 3.46Å; D215-R238 PolarHBondContact OD2-NH1 2.84Å; D215-R238 IonicContact OD2-NH2 3.55Å; D215-R238 PolarHBondContact OD2-NH2 3.48Å; D215-R253 CarbonylContact O-C 3.49Å; D215-R253 WeakPolarHBondContact O-CA 3.4Å; D215-G254 PolarHBondContact O-N 3.49Å; D215-C255 PolarHBondContact N-O 3.36Å; D215-Y260 HydrophobicContact CB-CE2 4.25Å; D215-Y260 PolarHBondContact OD2-OH 3.02Å
216	D	90.4	Very high	89.9	Confident	70 Å²	70	50.1 Å²	50.1	37%	0.374	26%	0.261	S	S	.	.			trans	-77.8	-17.7	172.2	-60.1	-35.9	0	0	0	112.2	R181 G185 N218	R181-D216 IonicContact CZ-OD2 2.81Å; R181-D216 IonicContact NH1-OD1 3.03Å; R181-D216 PolarHBondContact NH1-OD1 3.22Å; R181-D216 IonicContact NH1-OD2 2.71Å; R181-D216 PolarHBondContact NH1-OD2 3.16Å; G185-D216 PolarHBondContact O-N 3.02Å; D216-N218 PolarHBondContact O-N 3.17Å
217	F	88.3	Confident	89.7	Confident	3 Å²	3	48.4 Å²	48.4	1%	0.013	25%	0.251	C	S	.	.			trans	-62.6	108.6	-177.9	-174.2	-88.8	0	0	0	111.3	L184 W186 D215 V220 T223 V234 R238 F252 R253	L184-F217 HydrophobicContact CB-CD2 4.46Å; W186-F217 HydrophobicContact CZ3-CD2 4.44Å; D215-F217 VanDerWaalsContact C-N 3.28Å; D215-F217 WeakPolarHBondContact OD1-CB 3.23Å; D215-F217 PolarHBondContact OD1-N 3.36Å; F217-V220 HydrophobicContact CZ-CG2 3.93Å; F217-T223 HydrophobicContact CD2-CG2 3.82Å; F217-T223 HydrophobicContact CE2-CG2 4.13Å; F217-T223 HydrophobicContact CG-CG2 4.25Å; F217-V234 HydrophobicContact CE2-CG1 3.85Å; F217-R238 HydrophobicContact CE2-CG 4.41Å; F217-R238 HydrophobicContact CZ-CG 4.18Å; F217-F252 HydrophobicContact CD1-CB 4.36Å; F217-F252 HydrophobicContact CD1-CD2 4.06Å; F217-F252 HydrophobicContact CE1-CD2 4.11Å; F217-F252 CarbonylContact O-C 3.57Å; F217-F252 WeakPolarHBondContact O-CA 3.3Å; F217-F252 PolarHBondContact O-N 3.4Å; F217-R253 WeakPolarHBondContact O-CA 3.32Å; F217-R253 PolarHBondContact O-N 3.49Å
218	N	87.3	Confident	89.6	Confident	33 Å²	33	50.1 Å²	50.1	18%	0.176	27%	0.272	C	S	.	.			trans	-75.7	-96.9	170.1	-179.7	6.4	0	0	0	110.2	D216 D222 T223 G251 F252 R253	D216-N218 PolarHBondContact O-N 3.17Å; N218-D222 PolarHBondContact ND2-OD2 2.76Å; N218-D222 VanDerWaalsContact ND2-OD2 3.08Å; N218-T223 HydrophobicContact CB-CG2 4.29Å; N218-G251 CarbonylContact O-C 3.57Å; N218-G251 VanDerWaalsContact O-CA 3.26Å; N218-G251 WeakPolarHBondContact O-CA 3.49Å; N218-F252 PolarHBondContact O-N 3.34Å; N218-R253 HydrophobicContact CB-CB 4.24Å
219	N	86.8	Confident	89.6	Confident	25 Å²	25	49.3 Å²	49.3	13%	0.134	26%	0.256	C	S	.	.			trans	-132.8	167.5	173.1	65.5	69.9	0	0	0	109.3	Y221 D222 T223	N219-Y221 VanDerWaalsContact C-N 3.26Å; N219-Y221 PolarHBondContact O-N 3.15Å; N219-Y221 PolarHBondContact OD1-N 3.28Å; N219-D222 PolarHBondContact ND2-OD2 2.91Å; N219-D222 PolarHBondContact O-N 2.96Å; N219-D222 PolarHBondContact OD1-N 3.33Å; N219-T223 WeakPolarHBondContact O-CB 3.4Å; N219-T223 WeakPolarHBondContact O-CG2 3.45Å; N219-T223 PolarHBondContact O-N 2.88Å; N219-T223 PolarHBondContact O-OG1 2.71Å
220	V	86.9	Confident	89.6	Confident	8 Å²	8	54.7 Å²	54.7	5%	0.048	28%	0.28	C	S	.	.	H	α-helix	trans	-56.7	-34.9	-174.5	175.6	0	0	0	0	113.5	F217 T223 S224 S231 V234 L235 S248	F217-V220 HydrophobicContact CZ-CG2 3.93Å; V220-T223 PolarHBondContact O-OG1 3.47Å; V220-S224 WeakPolarHBondContact O-CB 3.32Å; V220-S224 PolarHBondContact O-N 3Å; V220-S224 VanDerWaalsContact O-N 3.15Å; V220-S231 VanDerWaalsContact CG1-O 3.23Å; V220-S231 WeakPolarHBondContact CG1-O 3.38Å; V220-V234 HydrophobicContact CG1-CB 4.3Å; V220-V234 HydrophobicContact CG1-CG1 4.21Å; V220-L235 HydrophobicContact CG1-CB 4.17Å; V220-L235 HydrophobicContact CG2-CD1 4.09Å; V220-S248 WeakPolarHBondContact CG2-O 3.47Å
221	Y	88.5	Confident	89.4	Confident	142 Å²	142	53 Å²	53	56%	0.557	27%	0.274	S	S	*	.	H	α-helix	trans	-81.1	-42	-176.4	-60.6	-79.2	0	0	0	112.7	N219 R225	N219-Y221 VanDerWaalsContact C-N 3.26Å; N219-Y221 PolarHBondContact O-N 3.15Å; N219-Y221 PolarHBondContact OD1-N 3.28Å; Y221-R225 WeakPolarHBondContact O-CG 3.29Å; Y221-R225 PolarHBondContact O-N 3.4Å; Y221-R225 VanDerWaalsContact O-N 3.15Å
222	D	87.7	Confident	89.2	Confident	53 Å²	53	57.7 Å²	57.7	28%	0.283	30%	0.298	S	S	.	.	H	α-helix	trans	-72.6	-41.3	179.3	-68.2	-26.3	0	0	0	110.8	N218 N219 R225 E226	N218-D222 PolarHBondContact ND2-OD2 2.76Å; N218-D222 VanDerWaalsContact ND2-OD2 3.08Å; N219-D222 PolarHBondContact ND2-OD2 2.91Å; N219-D222 PolarHBondContact O-N 2.96Å; N219-D222 PolarHBondContact OD1-N 3.33Å; D222-R225 WeakPolarHBondContact O-CB 3.35Å; D222-R225 PolarHBondContact O-N 3.39Å; D222-R225 VanDerWaalsContact O-N 3.15Å; D222-E226 WeakPolarHBondContact O-CB 3.39Å; D222-E226 WeakPolarHBondContact O-CG 3.14Å; D222-E226 PolarHBondContact O-N 2.99Å
223	T	87.5	Confident	88.9	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.018	31%	0.305	C	S	.	.	H	α-helix	trans	-66.6	-37.4	175.3	53.9	0	0	0	0	112.5	F217 N218 N219 V220 R225 E226 K227 V234	F217-T223 HydrophobicContact CD2-CG2 3.82Å; F217-T223 HydrophobicContact CE2-CG2 4.13Å; F217-T223 HydrophobicContact CG-CG2 4.25Å; N218-T223 HydrophobicContact CB-CG2 4.29Å; N219-T223 WeakPolarHBondContact O-CB 3.4Å; N219-T223 WeakPolarHBondContact O-CG2 3.45Å; N219-T223 PolarHBondContact O-N 2.88Å; N219-T223 PolarHBondContact O-OG1 2.71Å; V220-T223 PolarHBondContact O-OG1 3.47Å; T223-R225 VanDerWaalsContact C-N 3.3Å; T223-R225 PolarHBondContact O-N 3.15Å; T223-E226 PolarHBondContact O-N 3.39Å; T223-K227 VanDerWaalsContact O-CB 3.29Å; T223-K227 WeakPolarHBondContact O-CB 3.49Å; T223-K227 WeakPolarHBondContact O-CG 3.19Å; T223-K227 PolarHBondContact O-N 2.97Å; T223-V234 WeakPolarHBondContact OG1-CG1 3.16Å
224	S	89.9	Confident	88.6	Confident	20 Å²	20	58.8 Å²	58.8	14%	0.14	30%	0.299	C	S	.	.	H	α-helix	trans	-56.4	-41.8	169.6	168.7	0	0	0	0	112.1	V220 G228 I229 S231	V220-S224 WeakPolarHBondContact O-CB 3.32Å; V220-S224 PolarHBondContact O-N 3Å; V220-S224 VanDerWaalsContact O-N 3.15Å; S224-G228 CarbonylContact O-C 3.58Å; S224-G228 WeakPolarHBondContact O-CA 3.47Å; S224-G228 PolarHBondContact O-N 3.46Å; S224-I229 WeakPolarHBondContact CA-O 3.05Å; S224-I229 WeakPolarHBondContact CB-O 3.29Å; S224-I229 PolarHBondContact O-N 2.79Å; S224-I229 PolarHBondContact OG-O 2.92Å; S224-S231 PolarHBondContact OG-N 2.71Å
225	R	89.2	Confident	88.4	Confident	198 Å²	198	60.1 Å²	60.1	75%	0.747	30%	0.303	S	S	*	.	H	α-helix	trans	-72	-45	176.1	-72.4	167.6	169.1	-177.2	-5.3	113.2	Y221 D222 T223 K227	Y221-R225 WeakPolarHBondContact O-CG 3.29Å; Y221-R225 PolarHBondContact O-N 3.4Å; Y221-R225 VanDerWaalsContact O-N 3.15Å; D222-R225 WeakPolarHBondContact O-CB 3.35Å; D222-R225 PolarHBondContact O-N 3.39Å; D222-R225 VanDerWaalsContact O-N 3.15Å; T223-R225 VanDerWaalsContact C-N 3.3Å; T223-R225 PolarHBondContact O-N 3.15Å; R225-K227 VanDerWaalsContact C-N 3.33Å; R225-K227 PolarHBondContact O-N 3.03Å
226	E	88.9	Confident	88.2	Confident	108 Å²	108	63.7 Å²	63.7	51%	0.505	32%	0.324	S	S	.	.	H	α-helix	trans	-64.7	-35.6	-179.9	-74.2	175.9	160.4	0	0	112	D222 T223 R253	D222-E226 WeakPolarHBondContact O-CB 3.39Å; D222-E226 WeakPolarHBondContact O-CG 3.14Å; D222-E226 PolarHBondContact O-N 2.99Å; T223-E226 PolarHBondContact O-N 3.39Å; E226-R253 IonicContact OE1-NH1 2.7Å; E226-R253 PolarHBondContact OE1-NH1 3.02Å; E226-R253 VanDerWaalsContact OE1-NH1 3.15Å
227	K	87.9	Confident	88.1	Confident	107 Å²	107	60.7 Å²	60.7	47%	0.465	31%	0.309	S	S	.	.	H	α-helix	trans	-99.2	-10.4	-177.1	-60.6	-75.1	-179.9	154.4	0	114.3	R183 T223 R225 I229	R183-K227 WeakPolarHBondContact O-CE 3.37Å; R183-K227 PolarHBondContact O-NZ 2.89Å; T223-K227 VanDerWaalsContact O-CB 3.29Å; T223-K227 WeakPolarHBondContact O-CB 3.49Å; T223-K227 WeakPolarHBondContact O-CG 3.19Å; T223-K227 PolarHBondContact O-N 2.97Å; R225-K227 VanDerWaalsContact C-N 3.33Å; R225-K227 PolarHBondContact O-N 3.03Å; K227-I229 HydrophobicContact CB-CD1 3.75Å; K227-I229 HydrophobicContact CB-CG1 3.88Å; K227-I229 PolarHBondContact O-N 3.32Å
228	G	88.1	Confident	88.1	Confident	74 Å²	74	61.1 Å²	61.1	76%	0.763	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	15.4	-175.6	0	0	0	0	0	114.8	S224	S224-G228 CarbonylContact O-C 3.58Å; S224-G228 WeakPolarHBondContact O-CA 3.47Å; S224-G228 PolarHBondContact O-N 3.46Å
229	I	89.2	Confident	88.1	Confident	31 Å²	31	61 Å²	61	16%	0.159	31%	0.308	C	S	.	.			trans	-92.7	145.5	-176.1	-58.7	172	0	0	0	109.5	L184 S224 K227 S231 E233 V234	L184-I229 HydrophobicContact CD2-CD1 4.06Å; S224-I229 WeakPolarHBondContact CA-O 3.05Å; S224-I229 WeakPolarHBondContact CB-O 3.29Å; S224-I229 PolarHBondContact O-N 2.79Å; S224-I229 PolarHBondContact OG-O 2.92Å; K227-I229 HydrophobicContact CB-CD1 3.75Å; K227-I229 HydrophobicContact CB-CG1 3.88Å; K227-I229 PolarHBondContact O-N 3.32Å; I229-S231 PolarHBondContact O-N 3.19Å; I229-E233 HydrophobicContact CG2-CB 3.93Å; I229-E233 HydrophobicContact CG2-CG 4.11Å; I229-E233 WeakPolarHBondContact CG2-OE2 3.48Å; I229-V234 HydrophobicContact CB-CG2 3.77Å; I229-V234 HydrophobicContact CG2-CG2 3.63Å
230	H	90.6	Very high	88	Confident	119 Å²	119	63.1 Å²	63.1	55%	0.551	32%	0.32	S	S	*	.			trans	-63.1	135.8	177.7	-170.7	-95.8	0	0	0	111.6	L232 E233 V234	H230-L232 VanDerWaalsContact C-N 3.26Å; H230-L232 PolarHBondContact ND1-N 3.16Å; H230-L232 PolarHBondContact O-N 2.97Å; H230-L232 VanDerWaalsContact O-N 3.15Å; H230-E233 WeakPolarHBondContact O-CA 3.43Å; H230-E233 WeakPolarHBondContact O-CB 3.41Å; H230-E233 PolarHBondContact O-N 3.37Å; H230-V234 PolarHBondContact O-N 3.07Å; H230-V234 VanDerWaalsContact O-N 3.12Å
231	S	89	Confident	88	Confident	34 Å²	34	65.7 Å²	65.7	24%	0.238	33%	0.331	C	S	.	.	H	α-helix	trans	-59.1	-32.9	-172	59.4	0	0	0	0	114.2	V220 S224 I229 L235	V220-S231 VanDerWaalsContact CG1-O 3.23Å; V220-S231 WeakPolarHBondContact CG1-O 3.38Å; S224-S231 PolarHBondContact OG-N 2.71Å; I229-S231 PolarHBondContact O-N 3.19Å; S231-L235 WeakPolarHBondContact O-CB 3.49Å; S231-L235 PolarHBondContact O-N 2.86Å
232	L	87.9	Confident	87.9	Confident	108 Å²	108	59 Å²	59	57%	0.565	31%	0.305	S	S	*	.	H	α-helix	trans	-69.6	-32.1	173.4	-64.2	178	0	0	0	113.1	H230 L235 V236	H230-L232 VanDerWaalsContact C-N 3.26Å; H230-L232 PolarHBondContact ND1-N 3.16Å; H230-L232 PolarHBondContact O-N 2.97Å; H230-L232 VanDerWaalsContact O-N 3.15Å; L232-L235 HydrophobicContact CD2-CD2 4.5Å; L232-L235 PolarHBondContact O-N 3.36Å; L232-V236 WeakPolarHBondContact O-CB 3.41Å; L232-V236 VanDerWaalsContact O-CG2 3.24Å; L232-V236 WeakPolarHBondContact O-CG2 3.24Å; L232-V236 PolarHBondContact O-N 3.44Å
233	E	86.8	Confident	87.8	Confident	84 Å²	84	56.8 Å²	56.8	39%	0.393	29%	0.294	S	S	.	.	H	α-helix	trans	-71.5	-44.3	177.1	-171.1	-163.7	146.7	0	0	110.2	R183 I229 H230 L235 V236 S237	R183-E233 IonicContact CZ-OE1 3.33Å; R183-E233 VanDerWaalsContact CZ-OE1 3.28Å; R183-E233 IonicContact NH1-OE1 2.91Å; R183-E233 PolarHBondContact NH1-OE1 3.42Å; R183-E233 IonicContact NH2-OE1 3.54Å; R183-E233 PolarHBondContact NH2-OE1 3.33Å; I229-E233 HydrophobicContact CG2-CB 3.93Å; I229-E233 HydrophobicContact CG2-CG 4.11Å; I229-E233 WeakPolarHBondContact CG2-OE2 3.48Å; H230-E233 WeakPolarHBondContact O-CA 3.43Å; H230-E233 WeakPolarHBondContact O-CB 3.41Å; H230-E233 PolarHBondContact O-N 3.37Å; E233-L235 VanDerWaalsContact C-N 3.26Å; E233-L235 PolarHBondContact O-N 2.94Å; E233-V236 PolarHBondContact O-N 2.9Å; E233-S237 PolarHBondContact O-N 3.12Å
234	V	86.9	Confident	87.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-56.2	-42.2	172.8	177.6	0	0	0	0	111.4	L184 F217 V220 T223 I229 H230 R238	L184-V234 HydrophobicContact CD1-CG1 4.28Å; L184-V234 HydrophobicContact CD2-CG1 4.16Å; L184-V234 HydrophobicContact CD2-CG2 4.19Å; F217-V234 HydrophobicContact CE2-CG1 3.85Å; V220-V234 HydrophobicContact CG1-CB 4.3Å; V220-V234 HydrophobicContact CG1-CG1 4.21Å; T223-V234 WeakPolarHBondContact OG1-CG1 3.16Å; I229-V234 HydrophobicContact CB-CG2 3.77Å; I229-V234 HydrophobicContact CG2-CG2 3.63Å; H230-V234 PolarHBondContact O-N 3.07Å; H230-V234 VanDerWaalsContact O-N 3.12Å; V234-R238 WeakPolarHBondContact O-CB 3.4Å; V234-R238 PolarHBondContact O-N 3Å; V234-R238 VanDerWaalsContact O-N 3.1Å
235	L	87.2	Confident	87.3	Confident	42 Å²	42	66.9 Å²	66.9	22%	0.22	34%	0.341	C	S	.	.	H	α-helix	trans	-62.5	-52.7	176.1	-178.3	67.2	0	0	0	111.8	V220 S231 L232 E233 R238 E239 S248	V220-L235 HydrophobicContact CG1-CB 4.17Å; V220-L235 HydrophobicContact CG2-CD1 4.09Å; S231-L235 WeakPolarHBondContact O-CB 3.49Å; S231-L235 PolarHBondContact O-N 2.86Å; L232-L235 HydrophobicContact CD2-CD2 4.5Å; L232-L235 PolarHBondContact O-N 3.36Å; E233-L235 VanDerWaalsContact C-N 3.26Å; E233-L235 PolarHBondContact O-N 2.94Å; L235-R238 PolarHBondContact O-N 2.75Å; L235-E239 HydrophobicContact CD1-CG 4.46Å; L235-E239 WeakPolarHBondContact CD1-OE1 3.43Å; L235-E239 WeakPolarHBondContact O-CG 3.28Å; L235-E239 PolarHBondContact O-N 3.01Å; L235-S248 VanDerWaalsContact CD1-CB 3.43Å; L235-S248 WeakPolarHBondContact CD1-OG 3.39Å
236	V	87	Confident	87	Confident	76 Å²	76	58.6 Å²	58.6	46%	0.461	31%	0.311	S	S	.	.	H	α-helix	trans	-60.6	-48	-178	167.5	0	0	0	0	110.9	L232 E233 R238 E239 D240	L232-V236 WeakPolarHBondContact O-CB 3.41Å; L232-V236 VanDerWaalsContact O-CG2 3.24Å; L232-V236 WeakPolarHBondContact O-CG2 3.24Å; L232-V236 PolarHBondContact O-N 3.44Å; E233-V236 PolarHBondContact O-N 2.9Å; V236-R238 PolarHBondContact O-N 3.44Å; V236-E239 PolarHBondContact O-N 2.88Å; V236-D240 WeakPolarHBondContact O-CB 3.28Å; V236-D240 PolarHBondContact O-N 3.32Å
237	S	87.9	Confident	86.7	Confident	7 Å²	7	56 Å²	56	5%	0.049	31%	0.305	C	S	.	.	H	α-helix	trans	-59.6	-43.2	175.7	-85	0	0	0	0	112.6	R183 E233 E239 E241	R183-S237 PolarHBondContact NH2-OG 2.84Å; E233-S237 PolarHBondContact O-N 3.12Å; S237-E239 VanDerWaalsContact C-N 3.32Å; S237-E239 PolarHBondContact O-N 3.22Å; S237-E241 WeakPolarHBondContact CA-OE1 3.4Å; S237-E241 VanDerWaalsContact CB-CD 3.46Å; S237-E241 VanDerWaalsContact CB-OE1 3.29Å; S237-E241 WeakPolarHBondContact CB-OE1 3.02Å; S237-E241 WeakPolarHBondContact CB-OE2 3.43Å; S237-E241 WeakPolarHBondContact O-CB 3.45Å; S237-E241 PolarHBondContact O-N 2.78Å; S237-E241 VanDerWaalsContact OG-CD 3.23Å; S237-E241 PolarHBondContact OG-OE1 3.27Å; S237-E241 PolarHBondContact OG-OE2 2.93Å
238	R	89.2	Confident	86.1	Confident	11 Å²	11	53 Å²	53	4%	0.042	30%	0.297	C	S	.	.	I	π-helix	trans	-66.2	-33.2	177.7	-170.2	68	-179.1	-159.7	-8.5	112.6	W186 D215 F217 V234 L235 V236 F242 S243 Y260	W186-R238 HydrophobicContact CH2-CB 4.38Å; D215-R238 IonicContact OD1-NH1 3.36Å; D215-R238 IonicContact OD2-CZ 3.58Å; D215-R238 IonicContact OD2-NH1 3.46Å; D215-R238 PolarHBondContact OD2-NH1 2.84Å; D215-R238 IonicContact OD2-NH2 3.55Å; D215-R238 PolarHBondContact OD2-NH2 3.48Å; F217-R238 HydrophobicContact CE2-CG 4.41Å; F217-R238 HydrophobicContact CZ-CG 4.18Å; V234-R238 WeakPolarHBondContact O-CB 3.4Å; V234-R238 PolarHBondContact O-N 3Å; V234-R238 VanDerWaalsContact O-N 3.1Å; L235-R238 PolarHBondContact O-N 2.75Å; V236-R238 PolarHBondContact O-N 3.44Å; R238-F242 WeakPolarHBondContact O-CB 3.48Å; R238-F242 PolarHBondContact O-N 3.12Å; R238-S243 PolarHBondContact O-N 2.93Å; R238-Y260 PolarHBondContact NH2-OH 3.05Å
239	E	87	Confident	85.5	Confident	30 Å²	30	60 Å²	60	14%	0.14	30%	0.301	C	S	.	.	I	π-helix	trans	-78.3	-42.1	178.4	-72.3	179.1	-171.3	0	0	113	W82 L235 V236 S237 S243 S244	W82-E239 WeakPolarHBondContact CH2-OE1 3.34Å; L235-E239 HydrophobicContact CD1-CG 4.46Å; L235-E239 WeakPolarHBondContact CD1-OE1 3.43Å; L235-E239 WeakPolarHBondContact O-CG 3.28Å; L235-E239 PolarHBondContact O-N 3.01Å; V236-E239 PolarHBondContact O-N 2.88Å; S237-E239 VanDerWaalsContact C-N 3.32Å; S237-E239 PolarHBondContact O-N 3.22Å; E239-S243 CarbonylContact O-C 3.58Å; E239-S244 PolarHBondContact O-N 2.8Å; E239-S244 VanDerWaalsContact O-N 3.16Å
240	D	85.8	Confident	85.2	Confident	70 Å²	70	60.1 Å²	60.1	37%	0.374	31%	0.306	S	S	.	.	I	π-helix	trans	-82.6	-41.9	-177.1	-82.9	-37.8	0	0	0	113.3	R90 V236	R90-D240 IonicContact CZ-OD1 3.74Å; R90-D240 IonicContact NH2-OD1 3.23Å; R90-D240 PolarHBondContact NH2-OD1 2.73Å; R90-D240 IonicContact NH2-OD2 3.98Å; R90-D240 PolarHBondContact NH2-OD2 2.86Å; V236-D240 WeakPolarHBondContact O-CB 3.28Å; V236-D240 PolarHBondContact O-N 3.32Å
241	E	84.8	Confident	84.9	Confident	62 Å²	62	55.4 Å²	55.4	29%	0.29	29%	0.29	S	S	.	.	I	π-helix	trans	-94.5	-29.8	-172.9	-56.7	148.3	-163.5	0	0	113.1	R161 H182 W186 S237	R161-E241 WeakPolarHBondContact CD-O 3.36Å; H182-E241 IonicContact CE1-OE2 2.86Å; H182-E241 PolarHBondContact CE1-OE2 3.06Å; H182-E241 IonicContact ND1-OE2 2.7Å; H182-E241 IonicContact NE2-OE2 3.28Å; H182-E241 PolarHBondContact NE2-OE2 2.83Å; W186-E241 HydrophobicContact CZ2-CB 4.11Å; S237-E241 WeakPolarHBondContact CA-OE1 3.4Å; S237-E241 VanDerWaalsContact CB-CD 3.46Å; S237-E241 VanDerWaalsContact CB-OE1 3.29Å; S237-E241 WeakPolarHBondContact CB-OE1 3.02Å; S237-E241 WeakPolarHBondContact CB-OE2 3.43Å; S237-E241 WeakPolarHBondContact O-CB 3.45Å; S237-E241 PolarHBondContact O-N 2.78Å; S237-E241 VanDerWaalsContact OG-CD 3.23Å; S237-E241 PolarHBondContact OG-OE1 3.27Å; S237-E241 PolarHBondContact OG-OE2 2.93Å
242	F	87.1	Confident	84.8	Confident	1 Å²	1	54.6 Å²	54.6	0%	0.004	28%	0.282	C	S	.	.	I	π-helix	trans	-101.2	-74.6	179.1	-169.3	-84.1	0	0	0	111.9	W186 M190 V191 M194 N195 R238 L246 Y260	W186-F242 HydrophobicContact CB-CD2 3.98Å; W186-F242 HydrophobicContact CB-CE2 3.81Å; W186-F242 AromaticContact CD1-CD2 3.7Å; W186-F242 HydrophobicContact CD2-CB 4.46Å; W186-F242 AromaticContact CD2-CD2 3.68Å; W186-F242 HydrophobicContact CD2-CD2 3.68Å; W186-F242 HydrophobicContact CD2-CE2 4.42Å; W186-F242 HydrophobicContact CD2-CG 4.46Å; W186-F242 AromaticContact CE2-CD2 3.82Å; W186-F242 HydrophobicContact CE3-CD2 4.36Å; W186-F242 AromaticContact CG-CD2 3.53Å; W186-F242 HydrophobicContact CG-CD2 3.53Å; W186-F242 AromaticContact CG-CE2 3.9Å; W186-F242 HydrophobicContact CG-CE2 3.9Å; W186-F242 HydrophobicContact CH2-CB 4.16Å; W186-F242 HydrophobicContact CZ2-CB 3.85Å; W186-F242 AromaticContact NE1-CD2 3.88Å; M190-F242 HydrophobicContact CB-CE2 3.81Å; M190-F242 HydrophobicContact CB-CZ 4.07Å; V191-F242 HydrophobicContact CG2-CD2 3.56Å; V191-F242 HydrophobicContact CG2-CE2 3.89Å; V191-F242 HydrophobicContact CG2-CG 4.39Å; M194-F242 HydrophobicContact CB-CE1 3.83Å; M194-F242 HydrophobicContact CB-CZ 4.17Å; M194-F242 HydrophobicContact CG-CD1 4.46Å; M194-F242 HydrophobicContact CG-CE1 3.8Å; N195-F242 PolarHBondContact ND2-O 2.8Å; R238-F242 WeakPolarHBondContact O-CB 3.48Å; R238-F242 PolarHBondContact O-N 3.12Å; F242-L246 HydrophobicContact CD1-CD1 3.77Å; F242-L246 HydrophobicContact CE1-CD1 3.57Å; F242-Y260 HydrophobicContact CE1-CD1 4.13Å; F242-Y260 AromaticContact CE1-CE1 3.98Å; F242-Y260 HydrophobicContact CE1-CE1 3.98Å; F242-Y260 HydrophobicContact CZ-CD1 4Å; F242-Y260 HydrophobicContact CZ-CD2 4.14Å; F242-Y260 AromaticContact CZ-CE1 3.85Å; F242-Y260 HydrophobicContact CZ-CE1 3.85Å; F242-Y260 AromaticContact CZ-CE2 3.96Å; F242-Y260 HydrophobicContact CZ-CE2 3.96Å; F242-Y260 HydrophobicContact CZ-CG 4.15Å; F242-Y260 AromaticContact CZ-CZ 3.81Å
243	S	86.1	Confident	84.8	Confident	7 Å²	7	54.5 Å²	54.5	5%	0.049	27%	0.274	C	S	.	.	I	π-helix	trans	-171.3	129.2	176	-159.1	0	0	0	0	112.4	N195 R238 E239 R245	N195-S243 PolarHBondContact OD1-OG 2.99Å; R238-S243 PolarHBondContact O-N 2.93Å; E239-S243 CarbonylContact O-C 3.58Å; S243-R245 PolarHBondContact O-N 3.34Å; S243-R245 VanDerWaalsContact O-N 3.16Å
244	S	84.9	Confident	85	Confident	79 Å²	79	51.5 Å²	51.5	55%	0.552	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-2	172	59.7	0	0	0	0	114.7	E239	E239-S244 PolarHBondContact O-N 2.8Å; E239-S244 VanDerWaalsContact O-N 3.16Å
245	R	81.6	Confident	85.2	Confident	157 Å²	157	51.6 Å²	51.6	59%	0.592	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-14.9	178.8	-64.1	179.2	-179.1	134.4	2.7	113.9	M194 S243	M194-R245 HydrophobicContact CE-CB 3.87Å; S243-R245 PolarHBondContact O-N 3.34Å; S243-R245 VanDerWaalsContact O-N 3.16Å
246	L	83.5	Confident	85.5	Confident	24 Å²	24	49.6 Å²	49.6	13%	0.126	26%	0.256	C	S	.	.	S	Bend	trans	-88	141.9	-176	-66.3	-173.8	0	0	0	112.2	M194 F242 F252 Y260	M194-L246 HydrophobicContact CE-CD2 3.65Å; M194-L246 HydrophobicContact CE-CG 4.27Å; M194-L246 HydrophobicContact SD-CD2 3.88Å; M194-L246 HydrophobicContact SD-CG 4.5Å; F242-L246 HydrophobicContact CD1-CD1 3.77Å; F242-L246 HydrophobicContact CE1-CD1 3.57Å; L246-F252 HydrophobicContact CB-CE2 4.27Å; L246-F252 HydrophobicContact CB-CZ 3.94Å; L246-F252 HydrophobicContact CD1-CE1 4.19Å; L246-F252 HydrophobicContact CD1-CE2 4.21Å; L246-F252 HydrophobicContact CD1-CZ 3.99Å; L246-F252 HydrophobicContact CD2-CE1 3.85Å; L246-F252 HydrophobicContact CD2-CZ 3.82Å; L246-F252 HydrophobicContact CG-CZ 4.14Å; L246-Y260 HydrophobicContact CD1-CE1 4.08Å
247	S	81.5	Confident	85.8	Confident	53 Å²	53	46.1 Å²	46.1	37%	0.371	24%	0.235	S	C	.	.			trans	-77.2	127.2	175.6	81.6	0	0	0	0	111.3	R249 A250	S247-R249 PolarHBondContact O-N 3.33Å; S247-A250 PolarHBondContact O-N 3.22Å; S247-A250 WeakPolarHBondContact OG-CB 3.42Å
248	S	75.8	Confident	86.2	Confident	43 Å²	43	45.8 Å²	45.8	30%	0.301	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-9.5	-176.3	-14.3	0	0	0	0	115.2	V220 L235	V220-S248 WeakPolarHBondContact CG2-O 3.47Å; L235-S248 VanDerWaalsContact CD1-CB 3.43Å; L235-S248 WeakPolarHBondContact CD1-OG 3.39Å
249	R	76.6	Confident	86.4	Confident	223 Å²	223	45.3 Å²	45.3	84%	0.842	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-13.4	-179	-67	-176.9	178.8	175.3	-0.3	113.9	S247	S247-R249 PolarHBondContact O-N 3.33Å
250	A	81.8	Confident	86.6	Confident	32 Å²	32	43.9 Å²	43.9	26%	0.264	22%	0.224	S	C	.	.	S	Bend	trans	-77.4	148.4	179.8	0	0	0	0	0	111.1	S247 F252	S247-A250 PolarHBondContact O-N 3.22Å; S247-A250 WeakPolarHBondContact OG-CB 3.42Å; A250-F252 HydrophobicContact CB-CD2 4.4Å; A250-F252 HydrophobicContact CB-CE1 4.34Å; A250-F252 HydrophobicContact CB-CE2 3.67Å; A250-F252 HydrophobicContact CB-CZ 3.63Å
251	G	84.2	Confident	86.9	Confident	21 Å²	21	40.5 Å²	40.5	22%	0.216	21%	0.207	C	C	.	.			trans	-87.9	126.9	168.6	0	0	0	0	0	110.3	N218	N218-G251 CarbonylContact O-C 3.57Å; N218-G251 VanDerWaalsContact O-CA 3.26Å; N218-G251 WeakPolarHBondContact O-CA 3.49Å
252	F	86.4	Confident	87.3	Confident	17 Å²	17	37.7 Å²	37.7	8%	0.075	19%	0.193	C	C	.	.			trans	-115.3	10.4	179.5	-61.6	-82.5	0	0	0	114.3	F217 N218 L246 A250 G254 C255 Y260 L263	F217-F252 HydrophobicContact CD1-CB 4.36Å; F217-F252 HydrophobicContact CD1-CD2 4.06Å; F217-F252 HydrophobicContact CE1-CD2 4.11Å; F217-F252 CarbonylContact O-C 3.57Å; F217-F252 WeakPolarHBondContact O-CA 3.3Å; F217-F252 PolarHBondContact O-N 3.4Å; N218-F252 PolarHBondContact O-N 3.34Å; L246-F252 HydrophobicContact CB-CE2 4.27Å; L246-F252 HydrophobicContact CB-CZ 3.94Å; L246-F252 HydrophobicContact CD1-CE1 4.19Å; L246-F252 HydrophobicContact CD1-CE2 4.21Å; L246-F252 HydrophobicContact CD1-CZ 3.99Å; L246-F252 HydrophobicContact CD2-CE1 3.85Å; L246-F252 HydrophobicContact CD2-CZ 3.82Å; L246-F252 HydrophobicContact CG-CZ 4.14Å; A250-F252 HydrophobicContact CB-CD2 4.4Å; A250-F252 HydrophobicContact CB-CE1 4.34Å; A250-F252 HydrophobicContact CB-CE2 3.67Å; A250-F252 HydrophobicContact CB-CZ 3.63Å; F252-G254 PolarHBondContact O-N 3Å; F252-C255 WeakPolarHBondContact O-CB 3.42Å; F252-C255 PolarHBondContact O-N 2.83Å; F252-C255 PolarHBondContact O-SG 3.43Å; F252-C255 VanDerWaalsContact O-SG 3.39Å; F252-Y260 WeakPolarHBondContact CB-OH 3.47Å; F252-Y260 HydrophobicContact CD1-CE1 4.04Å; F252-L263 HydrophobicContact CE1-CD1 4.31Å
253	R	89.1	Confident	87.5	Confident	105 Å²	105	40.3 Å²	40.3	40%	0.396	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	128.2	-174.1	-168.5	173.9	-174.1	152.5	4.6	110.8	D215 F217 N218 E226 C255 S285	D215-R253 CarbonylContact O-C 3.49Å; D215-R253 WeakPolarHBondContact O-CA 3.4Å; F217-R253 WeakPolarHBondContact O-CA 3.32Å; F217-R253 PolarHBondContact O-N 3.49Å; N218-R253 HydrophobicContact CB-CB 4.24Å; E226-R253 IonicContact OE1-NH1 2.7Å; E226-R253 PolarHBondContact OE1-NH1 3.02Å; E226-R253 VanDerWaalsContact OE1-NH1 3.15Å; R253-C255 VanDerWaalsContact C-N 3.28Å; R253-C255 PolarHBondContact O-N 3.19Å; R253-S285 WeakPolarHBondContact O-CB 3.38Å; R253-S285 PolarHBondContact O-N 3.03Å; R253-S285 PolarHBondContact O-OG 3.48Å
254	G	89.8	Confident	87.7	Confident	22 Å²	22	40.4 Å²	40.4	23%	0.227	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	3.8	-175.1	0	0	0	0	0	115	D215 F252 T256	D215-G254 PolarHBondContact O-N 3.49Å; F252-G254 PolarHBondContact O-N 3Å; G254-T256 PolarHBondContact O-N 3.13Å
255	C	91.6	Very high	88	Confident	1 Å²	1	39 Å²	39	1%	0.007	20%	0.195	C	C	.	.			trans	-67.2	123.3	169.7	-72.5	0	0	0	0	109.9	D215 F252 R253 H259 Y260 N284	D215-C255 PolarHBondContact N-O 3.36Å; F252-C255 WeakPolarHBondContact O-CB 3.42Å; F252-C255 PolarHBondContact O-N 2.83Å; F252-C255 PolarHBondContact O-SG 3.43Å; F252-C255 VanDerWaalsContact O-SG 3.39Å; R253-C255 VanDerWaalsContact C-N 3.28Å; R253-C255 PolarHBondContact O-N 3.19Å; C255-H259 HydrophobicContact CB-CB 4.03Å; C255-Y260 HydrophobicContact CB-CE1 4.49Å; C255-Y260 HydrophobicContact CB-CE2 3.89Å; C255-N284 PolarHBondContact SG-ND2 3.14Å
256	T	94.5	Very high	88.4	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.006	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-85.8	171.3	176	63.9	0	0	0	0	111.8	A213 G254 L258 H259 Y260 Q282	A213-T256 WeakPolarHBondContact O-CA 3.45Å; G254-T256 PolarHBondContact O-N 3.13Å; T256-L258 PolarHBondContact O-N 2.91Å; T256-L258 VanDerWaalsContact O-N 3.16Å; T256-H259 PolarHBondContact N-ND1 3.28Å; T256-H259 WeakPolarHBondContact O-CB 3.41Å; T256-H259 PolarHBondContact O-N 3.12Å; T256-H259 PolarHBondContact OG1-ND1 3Å; T256-Y260 VanDerWaalsContact O-CD2 3.3Å; T256-Y260 WeakPolarHBondContact O-CD2 3.4Å; T256-Y260 PolarHBondContact O-N 2.91Å; T256-Q282 HydrophobicContact CG2-CG 4.26Å
257	A	93.8	Very high	88.8	Confident	2 Å²	2	32.3 Å²	32.3	2%	0.017	17%	0.173	C	C	.	.	H	α-helix	trans	-53.5	-34.4	172.9	0	0	0	0	0	112.6	L189 M190 A193 Y260 A261 L273	L189-A257 HydrophobicContact CD2-CB 4Å; L189-A257 HydrophobicContact CG-CB 3.81Å; M190-A257 HydrophobicContact CG-CB 4.43Å; A193-A257 HydrophobicContact CB-CB 4.39Å; A193-A257 WeakPolarHBondContact CB-O 3.44Å; A257-Y260 PolarHBondContact O-N 2.7Å; A257-A261 PolarHBondContact O-N 3.47Å; A257-L273 HydrophobicContact CB-CD1 4.19Å; A257-L273 HydrophobicContact CB-CD2 3.82Å
258	L	94.8	Very high	89.3	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.8	-41.7	175.3	-171.5	66.3	0	0	0	112.3	T256 Y260 A261 T262 V270 L273 L274 A278 P280 A290 L303	T256-L258 PolarHBondContact O-N 2.91Å; T256-L258 VanDerWaalsContact O-N 3.16Å; L258-Y260 VanDerWaalsContact C-N 3.28Å; L258-Y260 PolarHBondContact O-N 3.17Å; L258-A261 PolarHBondContact O-N 3.08Å; L258-T262 WeakPolarHBondContact O-CG2 3.42Å; L258-T262 PolarHBondContact O-N 3Å; L258-T262 PolarHBondContact O-OG1 2.9Å; L258-V270 HydrophobicContact CD1-CB 4.47Å; L258-V270 HydrophobicContact CD1-CG1 4.13Å; L258-V270 HydrophobicContact CD1-CG2 4.33Å; L258-L273 HydrophobicContact CD1-CB 4.23Å; L258-L273 HydrophobicContact CD1-CD1 4.49Å; L258-L274 HydrophobicContact CD1-CD1 4.48Å; L258-L274 HydrophobicContact CD1-CD2 4.18Å; L258-L274 HydrophobicContact CD1-CG 4.03Å; L258-L274 HydrophobicContact CD2-CD2 3.92Å; L258-A278 HydrophobicContact CB-CB 4.35Å; L258-A278 HydrophobicContact CD2-CB 4.22Å; L258-P280 HydrophobicContact CD2-CB 4.29Å; L258-A290 HydrophobicContact CB-CB 4.46Å; L258-A290 HydrophobicContact CD2-CB 3.94Å; L258-A290 HydrophobicContact CG-CB 3.82Å; L258-L303 HydrophobicContact CD1-CD2 4.33Å; L258-L303 HydrophobicContact CD2-CD2 4.39Å
259	H	93.3	Very high	90.1	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-62.7	-36.3	175.4	-68.5	78.5	0	0	0	112	C255 T256 T262 L263 Q282 H288 A290 Y293	C255-H259 HydrophobicContact CB-CB 4.03Å; T256-H259 PolarHBondContact N-ND1 3.28Å; T256-H259 WeakPolarHBondContact O-CB 3.41Å; T256-H259 PolarHBondContact O-N 3.12Å; T256-H259 PolarHBondContact OG1-ND1 3Å; H259-T262 PolarHBondContact O-OG1 3.48Å; H259-T262 VanDerWaalsContact O-OG1 3.12Å; H259-L263 WeakPolarHBondContact O-CB 3.32Å; H259-L263 VanDerWaalsContact O-CG 3.32Å; H259-L263 WeakPolarHBondContact O-CG 3.45Å; H259-L263 PolarHBondContact O-N 3.31Å; H259-Q282 PolarHBondContact CE1-O 3.17Å; H259-Q282 VanDerWaalsContact CE1-O 3.23Å; H259-H288 PolarHBondContact NE2-O 3.35Å; H259-A290 PolarHBondContact NE2-N 3.23Å; H259-Y293 AromaticContact CD2-CD2 3.93Å; H259-Y293 AromaticContact CD2-CE2 3.9Å
260	Y	92.4	Very high	90.9	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-72.4	-37.7	175.7	-69.9	-61.8	0	0	0	112.7	M190 M194 D215 R238 F242 L246 F252 C255 T256 A257 L258 T262 L263 A264	M190-Y260 HydrophobicContact CB-CD2 3.81Å; M190-Y260 HydrophobicContact CB-CE2 4.04Å; M190-Y260 HydrophobicContact CG-CD2 3.96Å; M190-Y260 HydrophobicContact CG-CE2 4.04Å; M190-Y260 HydrophobicContact SD-CE2 4.12Å; M194-Y260 HydrophobicContact CB-CD1 4.47Å; M194-Y260 HydrophobicContact CB-CG 4.5Å; M194-Y260 HydrophobicContact SD-CD1 3.96Å; D215-Y260 HydrophobicContact CB-CE2 4.25Å; D215-Y260 PolarHBondContact OD2-OH 3.02Å; R238-Y260 PolarHBondContact NH2-OH 3.05Å; F242-Y260 HydrophobicContact CE1-CD1 4.13Å; F242-Y260 AromaticContact CE1-CE1 3.98Å; F242-Y260 HydrophobicContact CE1-CE1 3.98Å; F242-Y260 HydrophobicContact CZ-CD1 4Å; F242-Y260 HydrophobicContact CZ-CD2 4.14Å; F242-Y260 AromaticContact CZ-CE1 3.85Å; F242-Y260 HydrophobicContact CZ-CE1 3.85Å; F242-Y260 AromaticContact CZ-CE2 3.96Å; F242-Y260 HydrophobicContact CZ-CE2 3.96Å; F242-Y260 HydrophobicContact CZ-CG 4.15Å; F242-Y260 AromaticContact CZ-CZ 3.81Å; L246-Y260 HydrophobicContact CD1-CE1 4.08Å; F252-Y260 WeakPolarHBondContact CB-OH 3.47Å; F252-Y260 HydrophobicContact CD1-CE1 4.04Å; C255-Y260 HydrophobicContact CB-CE1 4.49Å; C255-Y260 HydrophobicContact CB-CE2 3.89Å; T256-Y260 VanDerWaalsContact O-CD2 3.3Å; T256-Y260 WeakPolarHBondContact O-CD2 3.4Å; T256-Y260 PolarHBondContact O-N 2.91Å; A257-Y260 PolarHBondContact O-N 2.7Å; L258-Y260 VanDerWaalsContact C-N 3.28Å; L258-Y260 PolarHBondContact O-N 3.17Å; Y260-T262 VanDerWaalsContact C-N 3.33Å; Y260-T262 PolarHBondContact O-N 3.16Å; Y260-L263 HydrophobicContact CD1-CD1 4.29Å; Y260-L263 PolarHBondContact O-N 3.02Å; Y260-A264 WeakPolarHBondContact O-CB 2.78Å; Y260-A264 PolarHBondContact O-N 3.27Å
261	A	92.5	Very high	91.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.5	-35.5	174.2	0	0	0	0	0	112.5	A193 A257 L258 D265 D266 A269 V270 L273	A193-A261 HydrophobicContact CB-CB 4.24Å; A257-A261 PolarHBondContact O-N 3.47Å; L258-A261 PolarHBondContact O-N 3.08Å; A261-D265 PolarHBondContact O-N 3.32Å; A261-D265 VanDerWaalsContact O-N 3.13Å; A261-D266 PolarHBondContact O-N 3.28Å; A261-A269 HydrophobicContact CB-CB 4.06Å; A261-V270 HydrophobicContact CB-CG2 3.68Å; A261-L273 HydrophobicContact CB-CD1 3.73Å
262	T	92.6	Very high	91.9	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.012	13%	0.132	C	C	.	.	H	α-helix	trans	-75.4	-40.5	176	63.6	0	0	0	0	112.6	L258 H259 Y260 A264 D265 V270 A290 V299 L303	L258-T262 WeakPolarHBondContact O-CG2 3.42Å; L258-T262 PolarHBondContact O-N 3Å; L258-T262 PolarHBondContact O-OG1 2.9Å; H259-T262 PolarHBondContact O-OG1 3.48Å; H259-T262 VanDerWaalsContact O-OG1 3.12Å; Y260-T262 VanDerWaalsContact C-N 3.33Å; Y260-T262 PolarHBondContact O-N 3.16Å; T262-A264 VanDerWaalsContact C-N 3.28Å; T262-A264 PolarHBondContact O-N 3.3Å; T262-D265 PolarHBondContact O-N 3.44Å; T262-V270 HydrophobicContact CG2-CG2 3.85Å; T262-A290 WeakPolarHBondContact CB-O 3.2Å; T262-A290 HydrophobicContact CG2-CB 4.1Å; T262-A290 PolarHBondContact OG1-O 3.25Å; T262-V299 HydrophobicContact CG2-CG1 3.86Å; T262-L303 HydrophobicContact CG2-CD1 3.54Å; T262-L303 HydrophobicContact CG2-CD2 4.16Å; T262-L303 HydrophobicContact CG2-CG 4.33Å
263	L	91.1	Very high	92.3	Very high	57 Å²	57	25.4 Å²	25.4	30%	0.298	13%	0.128	S	C	.	.	H	α-helix	trans	-59.4	-38.6	169	-80.1	169.4	0	0	0	112.5	M194 F252 H259 Y260 D265 Y293	M194-L263 HydrophobicContact SD-CB 4.49Å; F252-L263 HydrophobicContact CE1-CD1 4.31Å; H259-L263 WeakPolarHBondContact O-CB 3.32Å; H259-L263 VanDerWaalsContact O-CG 3.32Å; H259-L263 WeakPolarHBondContact O-CG 3.45Å; H259-L263 PolarHBondContact O-N 3.31Å; Y260-L263 HydrophobicContact CD1-CD1 4.29Å; Y260-L263 PolarHBondContact O-N 3.02Å; L263-D265 PolarHBondContact O-N 2.93Å; L263-Y293 HydrophobicContact CD2-CD1 3.57Å; L263-Y293 HydrophobicContact CD2-CE1 4.36Å; L263-Y293 HydrophobicContact CD2-CG 4.06Å; L263-Y293 HydrophobicContact CG-CD1 4.12Å; L263-Y293 HydrophobicContact CG-CG 4.18Å
264	A	90.2	Very high	92.5	Very high	8 Å²	8	20.8 Å²	20.8	7%	0.066	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-8	174.8	0	0	0	0	0	112.9	M194 R196 Y260 T262	M194-A264 HydrophobicContact SD-CB 4.36Å; R196-A264 HydrophobicContact CG-CB 4.18Å; R196-A264 PolarHBondContact NE-O 3.41Å; R196-A264 PolarHBondContact NH2-O 3.38Å; Y260-A264 WeakPolarHBondContact O-CB 2.78Å; Y260-A264 PolarHBondContact O-N 3.27Å; T262-A264 VanDerWaalsContact C-N 3.28Å; T262-A264 PolarHBondContact O-N 3.3Å
265	D	91	Very high	92.6	Very high	50 Å²	50	25.7 Å²	25.7	27%	0.267	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	53.6	176.2	-159.6	19.5	0	0	0	111.6	R196 A261 T262 L263 K295	R196-D265 PolarHBondContact NH2-O 3.35Å; A261-D265 PolarHBondContact O-N 3.32Å; A261-D265 VanDerWaalsContact O-N 3.13Å; T262-D265 PolarHBondContact O-N 3.44Å; L263-D265 PolarHBondContact O-N 2.93Å; D265-K295 WeakPolarHBondContact OD2-CD 3.3Å; D265-K295 WeakPolarHBondContact OD2-CE 3.42Å; D265-K295 IonicContact OD2-NZ 3.27Å; D265-K295 PolarHBondContact OD2-NZ 3Å
266	D	90.9	Very high	92.6	Very high	6 Å²	6	28 Å²	28	3%	0.032	15%	0.147	C	C	.	.			trans	-126.6	100.5	-170.9	-174.7	-12.5	0	0	0	112.6	R196 H198 A261 L268 A269 V270	R196-D266 VanDerWaalsContact CA-OD2 3.29Å; R196-D266 WeakPolarHBondContact CA-OD2 3.33Å; R196-D266 VanDerWaalsContact CB-OD2 3.32Å; R196-D266 WeakPolarHBondContact CB-OD2 3.35Å; R196-D266 HydrophobicContact CG-CB 4.14Å; H198-D266 IonicContact CD2-OD1 3.1Å; H198-D266 IonicContact CD2-OD2 3.71Å; H198-D266 PolarHBondContact CD2-OD2 3.09Å; H198-D266 IonicContact CE1-OD1 2.7Å; H198-D266 IonicContact CE1-OD2 3.85Å; H198-D266 IonicContact NE2-OD1 2.9Å; H198-D266 PolarHBondContact NE2-OD1 3.33Å; H198-D266 IonicContact NE2-OD2 3.34Å; H198-D266 PolarHBondContact NE2-OD2 3.37Å; A261-D266 PolarHBondContact O-N 3.28Å; D266-L268 VanDerWaalsContact C-N 3.32Å; D266-L268 PolarHBondContact O-N 3.06Å; D266-L268 PolarHBondContact OD1-N 3.43Å; D266-L268 VanDerWaalsContact OD1-N 3.12Å; D266-A269 HydrophobicContact CB-CB 4.18Å; D266-A269 PolarHBondContact OD1-N 3.49Å; D266-A269 WeakPolarHBondContact OD2-CB 3.43Å; D266-V270 WeakPolarHBondContact O-CB 3.24Å; D266-V270 VanDerWaalsContact O-CG2 3.24Å; D266-V270 WeakPolarHBondContact O-CG2 3.21Å; D266-V270 PolarHBondContact O-N 2.92Å
267	P	91.2	Very high	92.3	Very high	35 Å²	35	29.8 Å²	29.8	23%	0.227	17%	0.166	C	C	.	.	H	α-helix	trans	-70.8	-24.9	-175.5	28.9	-34.9	0	0	0	113.5	R271 V299	P267-R271 VanDerWaalsContact O-CG 3.26Å; P267-R271 WeakPolarHBondContact O-CG 3.34Å; P267-R271 PolarHBondContact O-N 3.44Å; P267-R271 VanDerWaalsContact O-N 3.13Å; P267-V299 HydrophobicContact CB-CG2 4.17Å
268	L	92.6	Very high	92.2	Very high	101 Å²	101	29.8 Å²	29.8	53%	0.529	17%	0.166	S	C	.	.	H	α-helix	trans	-78	-44.5	-179.2	-69.2	177.8	0	0	0	110.9	H198 D266 V270 R271 L272	H198-L268 WeakPolarHBondContact CD2-CB 3.4Å; D266-L268 VanDerWaalsContact C-N 3.32Å; D266-L268 PolarHBondContact O-N 3.06Å; D266-L268 PolarHBondContact OD1-N 3.43Å; D266-L268 VanDerWaalsContact OD1-N 3.12Å; L268-V270 VanDerWaalsContact C-N 3.33Å; L268-V270 PolarHBondContact O-N 3.17Å; L268-R271 PolarHBondContact O-N 3.33Å; L268-L272 WeakPolarHBondContact O-CG 3.46Å; L268-L272 PolarHBondContact O-N 2.86Å
269	A	91.9	Very high	92.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.5	-40.4	174.8	0	0	0	0	0	111.4	A261 D266 L272 L273	A261-A269 HydrophobicContact CB-CB 4.06Å; D266-A269 HydrophobicContact CB-CB 4.18Å; D266-A269 PolarHBondContact OD1-N 3.49Å; D266-A269 WeakPolarHBondContact OD2-CB 3.43Å; A269-L272 PolarHBondContact O-N 3.4Å; A269-L273 WeakPolarHBondContact O-CB 3.47Å; A269-L273 WeakPolarHBondContact O-CD1 3.37Å; A269-L273 VanDerWaalsContact O-CG 3.24Å; A269-L273 WeakPolarHBondContact O-CG 3.46Å; A269-L273 PolarHBondContact O-N 3.16Å
270	V	93.5	Very high	91.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.2	-46.7	174.6	167.1	0	0	0	0	111.6	L258 A261 T262 D266 L268 L273 L274 V299 V302 L303	L258-V270 HydrophobicContact CD1-CB 4.47Å; L258-V270 HydrophobicContact CD1-CG1 4.13Å; L258-V270 HydrophobicContact CD1-CG2 4.33Å; A261-V270 HydrophobicContact CB-CG2 3.68Å; T262-V270 HydrophobicContact CG2-CG2 3.85Å; D266-V270 WeakPolarHBondContact O-CB 3.24Å; D266-V270 VanDerWaalsContact O-CG2 3.24Å; D266-V270 WeakPolarHBondContact O-CG2 3.21Å; D266-V270 PolarHBondContact O-N 2.92Å; L268-V270 VanDerWaalsContact C-N 3.33Å; L268-V270 PolarHBondContact O-N 3.17Å; V270-L273 PolarHBondContact O-N 3.13Å; V270-L274 HydrophobicContact CG1-CD1 3.57Å; V270-L274 HydrophobicContact CG1-CG 4.46Å; V270-L274 WeakPolarHBondContact O-CB 3.42Å; V270-L274 WeakPolarHBondContact O-CD1 3.38Å; V270-L274 WeakPolarHBondContact O-CG 3.24Å; V270-L274 PolarHBondContact O-N 3.3Å; V270-V299 HydrophobicContact CG2-CG1 4.21Å; V270-V302 HydrophobicContact CG1-CG1 4.06Å; V270-L303 HydrophobicContact CG1-CD2 4.07Å; V270-L303 HydrophobicContact CG1-CG 4.38Å
271	R	93.9	Very high	91.8	Very high	103 Å²	103	34.9 Å²	34.9	39%	0.389	19%	0.193	S	C	.	.	H	α-helix	trans	-60.8	-49.1	176.9	-74.5	170.4	-173.1	-90.1	1.9	112.2	P267 L268 L273 L274 E275 V302	P267-R271 VanDerWaalsContact O-CG 3.26Å; P267-R271 WeakPolarHBondContact O-CG 3.34Å; P267-R271 PolarHBondContact O-N 3.44Å; P267-R271 VanDerWaalsContact O-N 3.13Å; L268-R271 PolarHBondContact O-N 3.33Å; R271-L273 VanDerWaalsContact C-N 3.33Å; R271-L273 PolarHBondContact O-N 3.04Å; R271-L274 PolarHBondContact O-N 3.3Å; R271-E275 WeakPolarHBondContact O-CB 3.43Å; R271-E275 WeakPolarHBondContact O-CG 3.29Å; R271-E275 PolarHBondContact O-N 3.38Å; R271-V302 HydrophobicContact CG-CG1 4.09Å; R271-V302 VanDerWaalsContact NH2-CG2 3.32Å
272	L	93.8	Very high	91.7	Very high	40 Å²	40	37.4 Å²	37.4	21%	0.209	21%	0.205	C	C	.	.	H	α-helix	trans	-58.5	-43.1	178.8	-71.3	170.2	0	0	0	112.5	H198 V201 K202 L205 L268 A269 A276	H198-L272 HydrophobicContact CB-CD1 4.37Å; V201-L272 HydrophobicContact CG1-CB 4.21Å; V201-L272 HydrophobicContact CG1-CD1 4.37Å; K202-L272 HydrophobicContact CB-CD1 4.27Å; L205-L272 HydrophobicContact CD1-CB 4.28Å; L268-L272 WeakPolarHBondContact O-CG 3.46Å; L268-L272 PolarHBondContact O-N 2.86Å; A269-L272 PolarHBondContact O-N 3.4Å; L272-A276 WeakPolarHBondContact O-CB 3.41Å; L272-A276 PolarHBondContact O-N 2.89Å
273	L	94	Very high	91.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65	-43.2	177.8	-72.5	165.7	0	0	0	111.8	L189 A193 V201 L205 P211 A257 L258 A261 A269 V270 R271 A276 G277 A278	L189-L273 HydrophobicContact CD1-CD2 4.11Å; L189-L273 HydrophobicContact CD2-CD2 4.01Å; L189-L273 HydrophobicContact CG-CD2 4.15Å; A193-L273 HydrophobicContact CB-CD1 4.37Å; V201-L273 HydrophobicContact CG1-CD2 4.38Å; V201-L273 HydrophobicContact CG1-CG 4.31Å; L205-L273 HydrophobicContact CD1-CD2 4.17Å; L205-L273 HydrophobicContact CD2-CD2 4.24Å; P211-L273 HydrophobicContact CB-CD2 3.95Å; A257-L273 HydrophobicContact CB-CD1 4.19Å; A257-L273 HydrophobicContact CB-CD2 3.82Å; L258-L273 HydrophobicContact CD1-CB 4.23Å; L258-L273 HydrophobicContact CD1-CD1 4.49Å; A261-L273 HydrophobicContact CB-CD1 3.73Å; A269-L273 WeakPolarHBondContact O-CB 3.47Å; A269-L273 WeakPolarHBondContact O-CD1 3.37Å; A269-L273 VanDerWaalsContact O-CG 3.24Å; A269-L273 WeakPolarHBondContact O-CG 3.46Å; A269-L273 PolarHBondContact O-N 3.16Å; V270-L273 PolarHBondContact O-N 3.13Å; R271-L273 VanDerWaalsContact C-N 3.33Å; R271-L273 PolarHBondContact O-N 3.04Å; L273-A276 CarbonylContact O-C 3.58Å; L273-A276 PolarHBondContact O-N 3.47Å; L273-G277 PolarHBondContact O-N 3.21Å; L273-A278 HydrophobicContact CB-CB 4.07Å; L273-A278 WeakPolarHBondContact O-CB 3.26Å; L273-A278 PolarHBondContact O-N 3.17Å
274	L	93	Very high	91.6	Very high	7 Å²	7	38.6 Å²	38.6	4%	0.037	21%	0.214	C	C	.	.	H	α-helix	trans	-68.1	-40.3	178.8	-68.6	164.7	0	0	0	112	L258 V270 R271 A276 G277 A278 P280 V302 L303 W306	L258-L274 HydrophobicContact CD1-CD1 4.48Å; L258-L274 HydrophobicContact CD1-CD2 4.18Å; L258-L274 HydrophobicContact CD1-CG 4.03Å; L258-L274 HydrophobicContact CD2-CD2 3.92Å; V270-L274 HydrophobicContact CG1-CD1 3.57Å; V270-L274 HydrophobicContact CG1-CG 4.46Å; V270-L274 WeakPolarHBondContact O-CB 3.42Å; V270-L274 WeakPolarHBondContact O-CD1 3.38Å; V270-L274 WeakPolarHBondContact O-CG 3.24Å; V270-L274 PolarHBondContact O-N 3.3Å; R271-L274 PolarHBondContact O-N 3.3Å; L274-A276 VanDerWaalsContact C-N 3.3Å; L274-A276 PolarHBondContact O-N 2.87Å; L274-G277 PolarHBondContact O-N 3Å; L274-A278 HydrophobicContact CD2-CB 4.48Å; L274-P280 HydrophobicContact CD2-CB 4.2Å; L274-P280 HydrophobicContact CD2-CG 4.4Å; L274-V302 HydrophobicContact CD1-CG1 4.17Å; L274-L303 HydrophobicContact CD1-CD2 4.37Å; L274-W306 HydrophobicContact CB-CD2 3.82Å; L274-W306 HydrophobicContact CB-CE3 3.93Å; L274-W306 HydrophobicContact CB-CG 4.21Å; L274-W306 HydrophobicContact CB-CH2 4.5Å; L274-W306 HydrophobicContact CB-CZ2 4.41Å; L274-W306 HydrophobicContact CB-CZ3 4.27Å; L274-W306 HydrophobicContact CD1-CB 3.85Å; L274-W306 HydrophobicContact CD1-CD2 4.2Å; L274-W306 HydrophobicContact CD1-CG 3.68Å; L274-W306 HydrophobicContact CD2-CB 4.19Å; L274-W306 HydrophobicContact CG-CB 4.48Å; L274-W306 HydrophobicContact CG-CD2 4.48Å; L274-W306 HydrophobicContact CG-CG 4.36Å
275	E	91.7	Very high	91.6	Very high	125 Å²	125	41.7 Å²	41.7	58%	0.584	24%	0.235	S	C	*	.	H	α-helix	trans	-62.3	-36.3	173.3	-74.4	168.7	-165.3	0	0	112.1	R271 G277 W306	R271-E275 WeakPolarHBondContact O-CB 3.43Å; R271-E275 WeakPolarHBondContact O-CG 3.29Å; R271-E275 PolarHBondContact O-N 3.38Å; E275-G277 PolarHBondContact O-N 3.23Å; E275-W306 HydrophobicContact CG-CH2 3.74Å; E275-W306 HydrophobicContact CG-CZ2 3.82Å
276	A	91.5	Very high	91.3	Very high	50 Å²	50	44 Å²	44	41%	0.413	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	5.9	173.2	0	0	0	0	0	114.6	L205 L272 L273 L274	L205-A276 HydrophobicContact CB-CB 4.13Å; L205-A276 HydrophobicContact CD1-CB 3.8Å; L205-A276 HydrophobicContact CD2-CB 3.73Å; L205-A276 HydrophobicContact CG-CB 4.09Å; L272-A276 WeakPolarHBondContact O-CB 3.41Å; L272-A276 PolarHBondContact O-N 2.89Å; L273-A276 CarbonylContact O-C 3.58Å; L273-A276 PolarHBondContact O-N 3.47Å; L274-A276 VanDerWaalsContact C-N 3.3Å; L274-A276 PolarHBondContact O-N 2.87Å
277	G	88.6	Confident	91.1	Very high	39 Å²	39	46 Å²	46	40%	0.402	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	90	24.9	173.6	0	0	0	0	0	115.8	N212 L273 L274 E275	N212-G277 PolarHBondContact ND2-O 3.24Å; L273-G277 PolarHBondContact O-N 3.21Å; L274-G277 PolarHBondContact O-N 3Å; E275-G277 PolarHBondContact O-N 3.23Å
278	A	91.4	Very high	91	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.017	28%	0.278	C	S	.	.			trans	-59.2	137.3	165.8	0	0	0	0	0	111.3	P211 N212 L258 L273 L274 P280	P211-A278 HydrophobicContact CB-CB 3.88Å; P211-A278 HydrophobicContact CG-CB 4.26Å; N212-A278 WeakPolarHBondContact OD1-CA 3.32Å; L258-A278 HydrophobicContact CB-CB 4.35Å; L258-A278 HydrophobicContact CD2-CB 4.22Å; L273-A278 HydrophobicContact CB-CB 4.07Å; L273-A278 WeakPolarHBondContact O-CB 3.26Å; L273-A278 PolarHBondContact O-N 3.17Å; L274-A278 HydrophobicContact CD2-CB 4.48Å; A278-P280 VanDerWaalsContact O-CD 3.29Å; A278-P280 WeakPolarHBondContact O-CD 3.45Å
279	N	91.9	Very high	91	Very high	43 Å²	43	45.5 Å²	45.5	23%	0.23	26%	0.264	C	S	.	.			trans	-87.5	109.5	178.1	-179.4	-0.4	0	0	0	110.8	N212 L281 Q282 F310	N212-N279 VanDerWaalsContact OD1-CB 3.29Å; N212-N279 WeakPolarHBondContact OD1-CB 3.35Å; N212-N279 PolarHBondContact OD1-N 3.03Å; N279-L281 PolarHBondContact O-N 3.07Å; N279-L281 WeakPolarHBondContact OD1-CA 3.43Å; N279-L281 WeakPolarHBondContact OD1-CB 3.4Å; N279-L281 PolarHBondContact OD1-N 3.31Å; N279-Q282 HydrophobicContact CB-CB 4.1Å; N279-Q282 PolarHBondContact O-N 3.14Å; N279-Q282 PolarHBondContact OD1-N 3.39Å; N279-F310 HydrophobicContact CB-CE1 4.48Å; N279-F310 HydrophobicContact CB-CE2 4.22Å; N279-F310 HydrophobicContact CB-CZ 3.79Å; N279-F310 VanDerWaalsContact CG-CZ 3.44Å; N279-F310 WeakPolarHBondContact OD1-CE1 3.37Å; N279-F310 VanDerWaalsContact OD1-CZ 3.29Å; N279-F310 WeakPolarHBondContact OD1-CZ 3.11Å
280	P	90.5	Very high	90.9	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.013	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-18.2	178.8	30.4	-35.3	0	0	0	113.4	L258 L274 A278 E307 F310	L258-P280 HydrophobicContact CD2-CB 4.29Å; L274-P280 HydrophobicContact CD2-CB 4.2Å; L274-P280 HydrophobicContact CD2-CG 4.4Å; A278-P280 VanDerWaalsContact O-CD 3.29Å; A278-P280 WeakPolarHBondContact O-CD 3.45Å; P280-E307 HydrophobicContact CB-CG 3.94Å; P280-E307 HydrophobicContact CG-CG 4.22Å; P280-F310 HydrophobicContact CG-CB 3.88Å; P280-F310 HydrophobicContact CG-CD1 4.33Å; P280-F310 HydrophobicContact CG-CD2 4.48Å; P280-F310 HydrophobicContact CG-CG 4.01Å
281	L	90.5	Very high	90.7	Very high	63 Å²	63	49.3 Å²	49.3	33%	0.33	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-6.2	-179.6	-52.4	178.5	0	0	0	113.2	N279 T283 E307 F310 K311	N279-L281 PolarHBondContact O-N 3.07Å; N279-L281 WeakPolarHBondContact OD1-CA 3.43Å; N279-L281 WeakPolarHBondContact OD1-CB 3.4Å; N279-L281 PolarHBondContact OD1-N 3.31Å; L281-T283 PolarHBondContact O-N 3.34Å; L281-E307 HydrophobicContact CD2-CG 4.14Å; L281-F310 HydrophobicContact CD1-CD1 3.92Å; L281-F310 HydrophobicContact CD1-CE1 4.2Å; L281-F310 HydrophobicContact CG-CD1 4.17Å; L281-F310 HydrophobicContact CG-CE1 4.46Å; L281-K311 HydrophobicContact CD1-CG 3.9Å
282	Q	90.7	Very high	90.5	Very high	52 Å²	52	47.6 Å²	47.6	24%	0.243	29%	0.287	C	S	.	.			trans	-67	129.9	177.5	-173.2	170.4	-7.4	0	0	109.7	N212 T256 H259 N279	N212-Q282 PolarHBondContact O-NE2 3.25Å; N212-Q282 PolarHBondContact O-OE1 3.49Å; T256-Q282 HydrophobicContact CG2-CG 4.26Å; H259-Q282 PolarHBondContact CE1-O 3.17Å; H259-Q282 VanDerWaalsContact CE1-O 3.23Å; N279-Q282 HydrophobicContact CB-CB 4.1Å; N279-Q282 PolarHBondContact O-N 3.14Å; N279-Q282 PolarHBondContact OD1-N 3.39Å
283	T	91.4	Very high	90.2	Very high	74 Å²	74	48.4 Å²	48.4	45%	0.454	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-101.2	147.9	178.5	48.7	0	0	0	0	111.5	L281 G287 H288 T289	L281-T283 PolarHBondContact O-N 3.34Å; T283-G287 WeakPolarHBondContact CG2-O 3.5Å; T283-H288 VanDerWaalsContact CA-O 3.29Å; T283-H288 WeakPolarHBondContact CA-O 3.33Å; T283-T289 HydrophobicContact CG2-CG2 3.66Å
284	N	89.8	Confident	90	Very high	10 Å²	10	49.4 Å²	49.4	5%	0.053	30%	0.296	C	S	.	.			trans	-80.9	-176.6	170.4	69.1	9.3	0	0	0	112	C255 L286 G287 H288 Y293	C255-N284 PolarHBondContact SG-ND2 3.14Å; N284-L286 PolarHBondContact O-N 3.05Å; N284-L286 WeakPolarHBondContact OD1-CA 3.41Å; N284-L286 WeakPolarHBondContact OD1-CB 3.29Å; N284-L286 PolarHBondContact OD1-N 3.3Å; N284-G287 PolarHBondContact O-N 3.45Å; N284-G287 PolarHBondContact OD1-N 3.05Å; N284-H288 PolarHBondContact N-O 3.13Å; N284-H288 PolarHBondContact OD1-N 3.35Å; N284-H288 VanDerWaalsContact OD1-N 3.08Å; N284-H288 PolarHBondContact OD1-O 3.02Å; N284-Y293 PolarHBondContact ND2-OH 2.93Å
285	S	88.9	Confident	89.6	Confident	73 Å²	73	53.9 Å²	53.9	51%	0.51	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-12	-179.9	72	0	0	0	0	114.9	R253	R253-S285 WeakPolarHBondContact O-CB 3.38Å; R253-S285 PolarHBondContact O-N 3.03Å; R253-S285 PolarHBondContact O-OG 3.48Å
286	L	84.8	Confident	89.1	Confident	98 Å²	98	57.1 Å²	57.1	51%	0.513	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-3.2	174.7	-59.1	171.8	0	0	0	112.2	N284 H288	N284-L286 PolarHBondContact O-N 3.05Å; N284-L286 WeakPolarHBondContact OD1-CA 3.41Å; N284-L286 WeakPolarHBondContact OD1-CB 3.29Å; N284-L286 PolarHBondContact OD1-N 3.3Å; L286-H288 VanDerWaalsContact C-N 3.3Å
287	G	86.8	Confident	88.9	Confident	50 Å²	50	56.8 Å²	56.8	52%	0.515	33%	0.331	S	S	.	.	S	Bend	trans	79.1	9.3	-175.4	0	0	0	0	0	114.3	T283 N284	T283-G287 WeakPolarHBondContact CG2-O 3.5Å; N284-G287 PolarHBondContact O-N 3.45Å; N284-G287 PolarHBondContact OD1-N 3.05Å
288	H	89.6	Confident	89	Confident	86 Å²	86	61.3 Å²	61.3	40%	0.398	34%	0.342	S	S	.	.			trans	-88.8	140.1	179.2	-63	176.5	0	0	0	110.8	H259 T283 N284 L286 A292 Y293	H259-H288 PolarHBondContact NE2-O 3.35Å; T283-H288 VanDerWaalsContact CA-O 3.29Å; T283-H288 WeakPolarHBondContact CA-O 3.33Å; N284-H288 PolarHBondContact N-O 3.13Å; N284-H288 PolarHBondContact OD1-N 3.35Å; N284-H288 VanDerWaalsContact OD1-N 3.08Å; N284-H288 PolarHBondContact OD1-O 3.02Å; L286-H288 VanDerWaalsContact C-N 3.3Å; H288-A292 HydrophobicContact CB-CB 4.14Å; H288-Y293 HydrophobicContact CB-CE2 3.65Å; H288-Y293 AromaticContact ND1-CZ 3.76Å; H288-Y293 PolarHBondContact ND1-OH 2.93Å
289	T	92	Very high	88.9	Confident	38 Å²	38	61.4 Å²	61.4	23%	0.233	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-89	167.8	169.9	59.9	0	0	0	0	111.3	T283 R291 A292 Y293	T283-T289 HydrophobicContact CG2-CG2 3.66Å; T289-R291 PolarHBondContact O-N 2.9Å; T289-R291 VanDerWaalsContact O-N 3.14Å; T289-A292 WeakPolarHBondContact O-CB 3.29Å; T289-A292 PolarHBondContact O-N 2.88Å; T289-Y293 WeakPolarHBondContact O-CD2 3.4Å
290	A	89.7	Confident	88.9	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.008	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-57.2	-30.3	177.8	0	0	0	0	0	113.4	L258 H259 T262 Y293	L258-A290 HydrophobicContact CB-CB 4.46Å; L258-A290 HydrophobicContact CD2-CB 3.94Å; L258-A290 HydrophobicContact CG-CB 3.82Å; H259-A290 PolarHBondContact NE2-N 3.23Å; T262-A290 WeakPolarHBondContact CB-O 3.2Å; T262-A290 HydrophobicContact CG2-CB 4.1Å; T262-A290 PolarHBondContact OG1-O 3.25Å; A290-Y293 PolarHBondContact O-N 3.17Å
291	R	90.4	Very high	88.9	Confident	80 Å²	80	64.9 Å²	64.9	30%	0.302	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-69.3	-30.4	176.5	-173.8	174.7	175.5	-159.1	-5.9	113.8	T289 Y293 A294 N300 L303 E307	T289-R291 PolarHBondContact O-N 2.9Å; T289-R291 VanDerWaalsContact O-N 3.14Å; R291-Y293 PolarHBondContact O-N 3.4Å; R291-Y293 VanDerWaalsContact O-N 3.17Å; R291-A294 WeakPolarHBondContact O-CB 3.25Å; R291-A294 PolarHBondContact O-N 3.31Å; R291-A294 VanDerWaalsContact O-N 3.07Å; R291-N300 WeakPolarHBondContact CG-OD1 3.29Å; R291-N300 PolarHBondContact NE-OD1 2.77Å; R291-L303 HydrophobicContact CB-CB 4.43Å; R291-L303 HydrophobicContact CB-CD1 4.11Å; R291-L303 HydrophobicContact CG-CB 4.46Å; R291-L303 HydrophobicContact CG-CD1 4.47Å; R291-E307 WeakPolarHBondContact CB-OE1 3.32Å; R291-E307 WeakPolarHBondContact CD-OE1 3.4Å; R291-E307 WeakPolarHBondContact CD-OE2 3.14Å; R291-E307 IonicContact CZ-OE2 3.56Å; R291-E307 IonicContact NE-OE2 2.98Å; R291-E307 IonicContact NH1-OE2 3.82Å; R291-E307 PolarHBondContact NH1-OE2 2.88Å
292	A	89.8	Confident	89	Confident	67 Å²	67	62 Å²	62	55%	0.554	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-65.6	-15.9	175.3	0	0	0	0	0	113.3	H288 T289	H288-A292 HydrophobicContact CB-CB 4.14Å; T289-A292 WeakPolarHBondContact O-CB 3.29Å; T289-A292 PolarHBondContact O-N 2.88Å
293	Y	87.2	Confident	89.1	Confident	57 Å²	57	59.6 Å²	59.6	22%	0.224	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-99.6	-8.3	174.7	-64.8	-77	0	0	0	113.7	H259 L263 N284 H288 T289 A290 R291	H259-Y293 AromaticContact CD2-CD2 3.93Å; H259-Y293 AromaticContact CD2-CE2 3.9Å; L263-Y293 HydrophobicContact CD2-CD1 3.57Å; L263-Y293 HydrophobicContact CD2-CE1 4.36Å; L263-Y293 HydrophobicContact CD2-CG 4.06Å; L263-Y293 HydrophobicContact CG-CD1 4.12Å; L263-Y293 HydrophobicContact CG-CG 4.18Å; N284-Y293 PolarHBondContact ND2-OH 2.93Å; H288-Y293 HydrophobicContact CB-CE2 3.65Å; H288-Y293 AromaticContact ND1-CZ 3.76Å; H288-Y293 PolarHBondContact ND1-OH 2.93Å; T289-Y293 WeakPolarHBondContact O-CD2 3.4Å; A290-Y293 PolarHBondContact O-N 3.17Å; R291-Y293 PolarHBondContact O-N 3.4Å; R291-Y293 VanDerWaalsContact O-N 3.17Å
294	A	89.4	Confident	89.1	Confident	21 Å²	21	61.1 Å²	61.1	17%	0.174	34%	0.339	C	S	.	.			trans	-75.4	139.9	179.2	0	0	0	0	0	110.9	R291 V299 N300 L303	R291-A294 WeakPolarHBondContact O-CB 3.25Å; R291-A294 PolarHBondContact O-N 3.31Å; R291-A294 VanDerWaalsContact O-N 3.07Å; A294-V299 HydrophobicContact CB-CG1 4.03Å; A294-N300 HydrophobicContact CB-CB 4.12Å; A294-L303 HydrophobicContact CB-CD1 3.81Å
295	K	85.7	Confident	89.1	Confident	100 Å²	100	65.7 Å²	65.7	44%	0.435	36%	0.361	S	S	.	.			trans	-77.8	163.8	169.2	-58.8	176.7	-161.1	159	0	110.3	D265 G297 N300	D265-K295 WeakPolarHBondContact OD2-CD 3.3Å; D265-K295 WeakPolarHBondContact OD2-CE 3.42Å; D265-K295 IonicContact OD2-NZ 3.27Å; D265-K295 PolarHBondContact OD2-NZ 3Å; K295-G297 PolarHBondContact O-N 3.37Å; K295-G297 VanDerWaalsContact O-N 3.14Å; K295-N300 WeakPolarHBondContact O-CB 3.48Å
296	E	81.4	Confident	89.3	Confident	194 Å²	194	65 Å²	65	91%	0.907	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	113.9	165.8	-66.1	177.1	-174	0	0	109.4
297	G	86.5	Confident	89.6	Confident	43 Å²	43	61.3 Å²	61.3	44%	0.443	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	158.5	-170.5	-172.5	0	0	0	0	0	112.9	K295 V299 N300 T301	K295-G297 PolarHBondContact O-N 3.37Å; K295-G297 VanDerWaalsContact O-N 3.14Å; G297-V299 VanDerWaalsContact C-N 3.26Å; G297-V299 PolarHBondContact O-N 3.46Å; G297-N300 PolarHBondContact O-N 3.29Å; G297-N300 VanDerWaalsContact O-N 3.13Å; G297-T301 PolarHBondContact O-N 2.98Å
298	E	90.3	Very high	89.8	Confident	134 Å²	134	60.8 Å²	60.8	63%	0.626	32%	0.321	S	S	*	.	H	α-helix	trans	-57.3	-33.5	-174.5	-61.8	-178.2	-174.5	0	0	114.1	N300 T301 V302	E298-N300 PolarHBondContact O-N 2.96Å; E298-T301 PolarHBondContact O-N 3.49Å; E298-T301 PolarHBondContact O-OG1 2.98Å; E298-V302 WeakPolarHBondContact O-CB 3.45Å; E298-V302 VanDerWaalsContact O-CG2 3.25Å; E298-V302 WeakPolarHBondContact O-CG2 3.44Å; E298-V302 PolarHBondContact O-N 3.48Å
299	V	90.3	Very high	89.8	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.024	32%	0.323	C	S	.	.	H	α-helix	trans	-64.5	-41.4	179.3	174.7	0	0	0	0	111	T262 P267 V270 A294 G297 L303	T262-V299 HydrophobicContact CG2-CG1 3.86Å; P267-V299 HydrophobicContact CB-CG2 4.17Å; V270-V299 HydrophobicContact CG2-CG1 4.21Å; A294-V299 HydrophobicContact CB-CG1 4.03Å; G297-V299 VanDerWaalsContact C-N 3.26Å; G297-V299 PolarHBondContact O-N 3.46Å; V299-L303 HydrophobicContact CG1-CD1 3.9Å; V299-L303 HydrophobicContact CG1-CG 4.45Å; V299-L303 WeakPolarHBondContact O-CB 3.07Å; V299-L303 WeakPolarHBondContact O-CD1 3.39Å; V299-L303 WeakPolarHBondContact O-CG 3.45Å; V299-L303 PolarHBondContact O-N 3.39Å
300	N	91.3	Very high	89.7	Confident	42 Å²	42	61.1 Å²	61.1	23%	0.225	32%	0.319	C	S	.	.	H	α-helix	trans	-69.7	-38.4	179.7	-174.3	22.9	0	0	0	112	R291 A294 K295 G297 E298 L303 Q304	R291-N300 WeakPolarHBondContact CG-OD1 3.29Å; R291-N300 PolarHBondContact NE-OD1 2.77Å; A294-N300 HydrophobicContact CB-CB 4.12Å; K295-N300 WeakPolarHBondContact O-CB 3.48Å; G297-N300 PolarHBondContact O-N 3.29Å; G297-N300 VanDerWaalsContact O-N 3.13Å; E298-N300 PolarHBondContact O-N 2.96Å; N300-L303 PolarHBondContact O-N 2.95Å; N300-Q304 WeakPolarHBondContact O-CB 3.19Å; N300-Q304 PolarHBondContact O-N 3.36Å
301	T	91.6	Very high	89.7	Confident	76 Å²	76	66.8 Å²	66.8	47%	0.466	34%	0.343	S	S	.	.	H	α-helix	trans	-66.9	-44.6	176.6	58	0	0	0	0	111.4	G297 E298 L303 Q304 E305	G297-T301 PolarHBondContact O-N 2.98Å; E298-T301 PolarHBondContact O-N 3.49Å; E298-T301 PolarHBondContact O-OG1 2.98Å; T301-L303 PolarHBondContact O-N 3.49Å; T301-Q304 PolarHBondContact O-N 3.04Å; T301-E305 PolarHBondContact O-N 3.32Å
302	V	92.4	Very high	89.7	Confident	3 Å²	3	69.7 Å²	69.7	2%	0.018	36%	0.36	C	S	.	.	H	α-helix	trans	-58.1	-49.7	173.7	171.1	0	0	0	0	110.7	V270 R271 L274 E298 Q304 E305 W306	V270-V302 HydrophobicContact CG1-CG1 4.06Å; R271-V302 HydrophobicContact CG-CG1 4.09Å; R271-V302 VanDerWaalsContact NH2-CG2 3.32Å; L274-V302 HydrophobicContact CD1-CG1 4.17Å; E298-V302 WeakPolarHBondContact O-CB 3.45Å; E298-V302 VanDerWaalsContact O-CG2 3.25Å; E298-V302 WeakPolarHBondContact O-CG2 3.44Å; E298-V302 PolarHBondContact O-N 3.48Å; V302-Q304 VanDerWaalsContact C-N 3.31Å; V302-Q304 PolarHBondContact O-N 3.5Å; V302-E305 PolarHBondContact O-N 3.42Å; V302-W306 VanDerWaalsContact O-CD1 3.22Å; V302-W306 PolarHBondContact O-N 2.95Å
303	L	92	Very high	89.6	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-59.2	-41.6	177.7	-70.8	166.1	0	0	0	112.1	L258 T262 V270 L274 R291 A294 V299 N300 T301 W306 E307	L258-L303 HydrophobicContact CD1-CD2 4.33Å; L258-L303 HydrophobicContact CD2-CD2 4.39Å; T262-L303 HydrophobicContact CG2-CD1 3.54Å; T262-L303 HydrophobicContact CG2-CD2 4.16Å; T262-L303 HydrophobicContact CG2-CG 4.33Å; V270-L303 HydrophobicContact CG1-CD2 4.07Å; V270-L303 HydrophobicContact CG1-CG 4.38Å; L274-L303 HydrophobicContact CD1-CD2 4.37Å; R291-L303 HydrophobicContact CB-CB 4.43Å; R291-L303 HydrophobicContact CB-CD1 4.11Å; R291-L303 HydrophobicContact CG-CB 4.46Å; R291-L303 HydrophobicContact CG-CD1 4.47Å; A294-L303 HydrophobicContact CB-CD1 3.81Å; V299-L303 HydrophobicContact CG1-CD1 3.9Å; V299-L303 HydrophobicContact CG1-CG 4.45Å; V299-L303 WeakPolarHBondContact O-CB 3.07Å; V299-L303 WeakPolarHBondContact O-CD1 3.39Å; V299-L303 WeakPolarHBondContact O-CG 3.45Å; V299-L303 PolarHBondContact O-N 3.39Å; N300-L303 PolarHBondContact O-N 2.95Å; T301-L303 PolarHBondContact O-N 3.49Å; L303-W306 PolarHBondContact O-N 3.09Å; L303-E307 VanDerWaalsContact O-CB 3.31Å; L303-E307 WeakPolarHBondContact O-CB 3.35Å; L303-E307 VanDerWaalsContact O-CG 3.24Å; L303-E307 WeakPolarHBondContact O-CG 3.38Å; L303-E307 PolarHBondContact O-N 3.38Å
304	Q	90.8	Very high	89.6	Confident	107 Å²	107	70.4 Å²	70.4	50%	0.5	36%	0.356	S	S	.	.	H	α-helix	trans	-65.3	-41.2	178.8	-178	171.5	-17.1	0	0	112.7	N300 T301 V302 G308	N300-Q304 WeakPolarHBondContact O-CB 3.19Å; N300-Q304 PolarHBondContact O-N 3.36Å; T301-Q304 PolarHBondContact O-N 3.04Å; V302-Q304 VanDerWaalsContact C-N 3.31Å; V302-Q304 PolarHBondContact O-N 3.5Å; Q304-G308 PolarHBondContact O-N 3.36Å
305	E	91.4	Very high	89.4	Confident	106 Å²	106	71.9 Å²	71.9	50%	0.495	37%	0.368	S	S	.	.	H	α-helix	trans	-62.4	-44.2	173.6	-73.6	-180	-158.4	0	0	112	T301 V302 G308 K309	T301-E305 PolarHBondContact O-N 3.32Å; V302-E305 PolarHBondContact O-N 3.42Å; E305-G308 PolarHBondContact O-N 3.47Å; E305-K309 WeakPolarHBondContact O-CG 3.25Å; E305-K309 PolarHBondContact O-N 3.04Å; E305-K309 IonicContact OE2-NZ 3.46Å
306	W	92	Very high	89.6	Confident	58 Å²	58	74.7 Å²	74.7	22%	0.22	38%	0.376	C	S	.	.	H	α-helix	trans	-75.3	-30	-179.6	-79.2	94.2	0	0	0	113	L274 E275 V302 L303 G308 K309 F310	L274-W306 HydrophobicContact CB-CD2 3.82Å; L274-W306 HydrophobicContact CB-CE3 3.93Å; L274-W306 HydrophobicContact CB-CG 4.21Å; L274-W306 HydrophobicContact CB-CH2 4.5Å; L274-W306 HydrophobicContact CB-CZ2 4.41Å; L274-W306 HydrophobicContact CB-CZ3 4.27Å; L274-W306 HydrophobicContact CD1-CB 3.85Å; L274-W306 HydrophobicContact CD1-CD2 4.2Å; L274-W306 HydrophobicContact CD1-CG 3.68Å; L274-W306 HydrophobicContact CD2-CB 4.19Å; L274-W306 HydrophobicContact CG-CB 4.48Å; L274-W306 HydrophobicContact CG-CD2 4.48Å; L274-W306 HydrophobicContact CG-CG 4.36Å; E275-W306 HydrophobicContact CG-CH2 3.74Å; E275-W306 HydrophobicContact CG-CZ2 3.82Å; V302-W306 VanDerWaalsContact O-CD1 3.22Å; V302-W306 PolarHBondContact O-N 2.95Å; L303-W306 PolarHBondContact O-N 3.09Å; W306-G308 VanDerWaalsContact C-N 3.28Å; W306-G308 PolarHBondContact O-N 3.41Å; W306-K309 PolarHBondContact O-N 3.42Å; W306-F310 WeakPolarHBondContact O-CB 3.1Å; W306-F310 PolarHBondContact O-N 3.26Å
307	E	91.2	Very high	89.9	Confident	20 Å²	20	72.1 Å²	72.1	9%	0.093	36%	0.358	C	S	.	.	H	α-helix	trans	-57.9	-42.6	167.1	-82.3	174.5	-179.8	0	0	110.6	P280 L281 R291 L303 K311	P280-E307 HydrophobicContact CB-CG 3.94Å; P280-E307 HydrophobicContact CG-CG 4.22Å; L281-E307 HydrophobicContact CD2-CG 4.14Å; R291-E307 WeakPolarHBondContact CB-OE1 3.32Å; R291-E307 WeakPolarHBondContact CD-OE1 3.4Å; R291-E307 WeakPolarHBondContact CD-OE2 3.14Å; R291-E307 IonicContact CZ-OE2 3.56Å; R291-E307 IonicContact NE-OE2 2.98Å; R291-E307 IonicContact NH1-OE2 3.82Å; R291-E307 PolarHBondContact NH1-OE2 2.88Å; L303-E307 VanDerWaalsContact O-CB 3.31Å; L303-E307 WeakPolarHBondContact O-CB 3.35Å; L303-E307 VanDerWaalsContact O-CG 3.24Å; L303-E307 WeakPolarHBondContact O-CG 3.38Å; L303-E307 PolarHBondContact O-N 3.38Å; E307-K311 WeakPolarHBondContact O-CB 3.07Å; E307-K311 VanDerWaalsContact O-CG 3.24Å; E307-K311 WeakPolarHBondContact O-CG 3.25Å; E307-K311 PolarHBondContact O-N 3.18Å
308	G	90.1	Very high	89.8	Confident	39 Å²	39	73.4 Å²	73.4	40%	0.402	35%	0.352	S	S	.	.	H	α-helix	trans	-62.3	-57.7	173.7	0	0	0	0	0	112.2	Q304 E305 W306 F310 K311 E312	Q304-G308 PolarHBondContact O-N 3.36Å; E305-G308 PolarHBondContact O-N 3.47Å; W306-G308 VanDerWaalsContact C-N 3.28Å; W306-G308 PolarHBondContact O-N 3.41Å; G308-F310 VanDerWaalsContact C-N 3.28Å; G308-F310 PolarHBondContact O-N 3.16Å; G308-K311 PolarHBondContact O-N 2.99Å; G308-E312 PolarHBondContact O-N 3.46Å
309	K	90.4	Very high	89.5	Confident	101 Å²	101	68.5 Å²	68.5	44%	0.439	33%	0.334	S	S	.	.	H	α-helix	trans	-57.2	-38.9	179.1	-69.6	166.4	-178.5	162.7	0	112.7	E305 W306 L313	E305-K309 WeakPolarHBondContact O-CG 3.25Å; E305-K309 PolarHBondContact O-N 3.04Å; E305-K309 IonicContact OE2-NZ 3.46Å; W306-K309 PolarHBondContact O-N 3.42Å; K309-L313 WeakPolarHBondContact O-CB 3.44Å; K309-L313 PolarHBondContact O-N 3.33Å
310	F	90.6	Very high	89.4	Confident	31 Å²	31	72.6 Å²	72.6	14%	0.136	35%	0.353	C	S	.	.	H	α-helix	trans	-69.6	-42.6	178.7	-172.5	-90.1	0	0	0	111.6	N279 P280 L281 W306 G308 L313 Q314	N279-F310 HydrophobicContact CB-CE1 4.48Å; N279-F310 HydrophobicContact CB-CE2 4.22Å; N279-F310 HydrophobicContact CB-CZ 3.79Å; N279-F310 VanDerWaalsContact CG-CZ 3.44Å; N279-F310 WeakPolarHBondContact OD1-CE1 3.37Å; N279-F310 VanDerWaalsContact OD1-CZ 3.29Å; N279-F310 WeakPolarHBondContact OD1-CZ 3.11Å; P280-F310 HydrophobicContact CG-CB 3.88Å; P280-F310 HydrophobicContact CG-CD1 4.33Å; P280-F310 HydrophobicContact CG-CD2 4.48Å; P280-F310 HydrophobicContact CG-CG 4.01Å; L281-F310 HydrophobicContact CD1-CD1 3.92Å; L281-F310 HydrophobicContact CD1-CE1 4.2Å; L281-F310 HydrophobicContact CG-CD1 4.17Å; L281-F310 HydrophobicContact CG-CE1 4.46Å; W306-F310 WeakPolarHBondContact O-CB 3.1Å; W306-F310 PolarHBondContact O-N 3.26Å; G308-F310 VanDerWaalsContact C-N 3.28Å; G308-F310 PolarHBondContact O-N 3.16Å; F310-L313 PolarHBondContact O-N 3.2Å; F310-Q314 HydrophobicContact CD1-CG 3.83Å; F310-Q314 HydrophobicContact CE1-CG 3.57Å; F310-Q314 HydrophobicContact CZ-CG 4.08Å; F310-Q314 WeakPolarHBondContact O-CB 3.24Å; F310-Q314 VanDerWaalsContact O-CG 3.24Å; F310-Q314 WeakPolarHBondContact O-CG 3.31Å; F310-Q314 PolarHBondContact O-N 3.46Å
311	K	89.1	Confident	89.1	Confident	119 Å²	119	75.1 Å²	75.1	52%	0.517	36%	0.364	S	S	.	.	H	α-helix	trans	-60	-45.5	173.2	-75.8	173.4	-178.3	178.5	0	111.6	L281 E307 G308 Q314 A315	L281-K311 HydrophobicContact CD1-CG 3.9Å; E307-K311 WeakPolarHBondContact O-CB 3.07Å; E307-K311 VanDerWaalsContact O-CG 3.24Å; E307-K311 WeakPolarHBondContact O-CG 3.25Å; E307-K311 PolarHBondContact O-N 3.18Å; G308-K311 PolarHBondContact O-N 2.99Å; K311-Q314 PolarHBondContact O-N 2.79Å; K311-A315 WeakPolarHBondContact O-CB 3.24Å; K311-A315 PolarHBondContact O-N 3.07Å
312	E	89.5	Confident	88.7	Confident	141 Å²	141	75.2 Å²	75.2	66%	0.659	36%	0.356	S	S	*	.	H	α-helix	trans	-60.6	-46.1	176.3	-172.6	-175.7	175.3	0	0	111.5	G308 A315 R316	G308-E312 PolarHBondContact O-N 3.46Å; E312-A315 PolarHBondContact O-N 3.35Å; E312-R316 WeakPolarHBondContact O-CB 3.26Å; E312-R316 PolarHBondContact O-N 3.01Å
313	L	89.1	Confident	88.2	Confident	74 Å²	74	85 Å²	85	39%	0.387	39%	0.392	S	S	.	.	H	α-helix	trans	-68	-35.8	180	-172.1	145.9	0	0	0	112.7	K309 F310 R317	K309-L313 WeakPolarHBondContact O-CB 3.44Å; K309-L313 PolarHBondContact O-N 3.33Å; F310-L313 PolarHBondContact O-N 3.2Å; L313-R317 HydrophobicContact CD2-CG 4.42Å; L313-R317 VanDerWaalsContact CD2-CZ 3.45Å; L313-R317 WeakPolarHBondContact O-CG 2.91Å; L313-R317 PolarHBondContact O-N 2.74Å
314	Q	85.7	Confident	87.8	Confident	65 Å²	65	94 Å²	94	30%	0.304	43%	0.426	S	S	.	.	H	α-helix	trans	-65.6	-49.7	170.8	-70.3	-66.7	-9.2	0	0	111	F310 K311 R316 R317 E318	F310-Q314 HydrophobicContact CD1-CG 3.83Å; F310-Q314 HydrophobicContact CE1-CG 3.57Å; F310-Q314 HydrophobicContact CZ-CG 4.08Å; F310-Q314 WeakPolarHBondContact O-CB 3.24Å; F310-Q314 VanDerWaalsContact O-CG 3.24Å; F310-Q314 WeakPolarHBondContact O-CG 3.31Å; F310-Q314 PolarHBondContact O-N 3.46Å; K311-Q314 PolarHBondContact O-N 2.79Å; Q314-R316 PolarHBondContact O-N 2.99Å; Q314-R317 PolarHBondContact O-N 3.14Å; Q314-R317 VanDerWaalsContact O-N 3.12Å; Q314-E318 WeakPolarHBondContact O-CG 3.34Å; Q314-E318 PolarHBondContact O-N 2.79Å
315	A	86.6	Confident	87.5	Confident	52 Å²	52	93.8 Å²	93.8	43%	0.43	42%	0.424	S	S	.	.	H	α-helix	trans	-57.5	-38.4	176.5	0	0	0	0	0	111.9	K311 E312 A319	K311-A315 WeakPolarHBondContact O-CB 3.24Å; K311-A315 PolarHBondContact O-N 3.07Å; E312-A315 PolarHBondContact O-N 3.35Å; A315-A319 WeakPolarHBondContact O-CB 3.27Å; A315-A319 PolarHBondContact O-N 3.32Å
316	R	88.9	Confident	87.3	Confident	159 Å²	159	90.2 Å²	90.2	60%	0.6	41%	0.41	S	S	*	.	H	α-helix	trans	-66.2	-45.4	174.9	-155.8	-171.3	98.7	-170.7	4.9	112.4	E312 Q314 A319 E320	E312-R316 WeakPolarHBondContact O-CB 3.26Å; E312-R316 PolarHBondContact O-N 3.01Å; Q314-R316 PolarHBondContact O-N 2.99Å; R316-A319 PolarHBondContact O-N 3.24Å; R316-E320 IonicContact CZ-OE1 2.66Å; R316-E320 IonicContact NE-OE1 3.37Å; R316-E320 PolarHBondContact NE-OE1 2.69Å; R316-E320 IonicContact NH2-OE1 2.66Å; R316-E320 PolarHBondContact NH2-OE1 3.11Å; R316-E320 WeakPolarHBondContact O-CG 3.44Å; R316-E320 PolarHBondContact O-N 3.4Å
317	R	87.3	Confident	87.2	Confident	141 Å²	141	87.8 Å²	87.8	53%	0.532	40%	0.401	S	S	.	.	H	α-helix	trans	-59.3	-45.7	174.6	-78.4	175.5	175.6	172.6	0.5	111.6	L313 Q314 A319 E320 E321	L313-R317 HydrophobicContact CD2-CG 4.42Å; L313-R317 VanDerWaalsContact CD2-CZ 3.45Å; L313-R317 WeakPolarHBondContact O-CG 2.91Å; L313-R317 PolarHBondContact O-N 2.74Å; Q314-R317 PolarHBondContact O-N 3.14Å; Q314-R317 VanDerWaalsContact O-N 3.12Å; R317-A319 VanDerWaalsContact C-N 3.34Å; R317-A319 PolarHBondContact O-N 3.42Å; R317-E320 PolarHBondContact O-N 3.44Å; R317-E321 PolarHBondContact O-N 3.21Å
318	E	85	Confident	87.2	Confident	70 Å²	70	88.3 Å²	88.3	33%	0.327	40%	0.403	S	S	.	.	H	α-helix	trans	-63.3	-39.9	175.3	-66	-170.5	158.5	0	0	111.6	Q314 E321 R322	Q314-E318 WeakPolarHBondContact O-CG 3.34Å; Q314-E318 PolarHBondContact O-N 2.79Å; E318-E321 PolarHBondContact O-N 2.99Å; E318-R322 VanDerWaalsContact C-NH1 3.32Å; E318-R322 VanDerWaalsContact O-CG 3.29Å; E318-R322 WeakPolarHBondContact O-CG 3.34Å; E318-R322 PolarHBondContact O-N 2.97Å; E318-R322 IonicContact OE2-CZ 3.17Å; E318-R322 IonicContact OE2-NH1 2.75Å; E318-R322 IonicContact OE2-NH2 3.63Å; E318-R322 PolarHBondContact OE2-NH2 2.99Å
319	A	84.9	Confident	87.2	Confident	30 Å²	30	94.3 Å²	94.3	25%	0.248	41%	0.414	C	S	.	.	H	α-helix	trans	-65.7	-37.7	175.9	0	0	0	0	0	112.6	A315 R316 R317 R323	A315-A319 WeakPolarHBondContact O-CB 3.27Å; A315-A319 PolarHBondContact O-N 3.32Å; R316-A319 PolarHBondContact O-N 3.24Å; R317-A319 VanDerWaalsContact C-N 3.34Å; R317-A319 PolarHBondContact O-N 3.42Å; A319-R323 VanDerWaalsContact O-CG 3.25Å; A319-R323 WeakPolarHBondContact O-CG 3.33Å; A319-R323 PolarHBondContact O-N 3.35Å
320	E	87.8	Confident	87.2	Confident	90 Å²	90	92.8 Å²	92.8	42%	0.421	41%	0.405	S	S	.	.	H	α-helix	trans	-63.2	-41.1	171	-72.4	171	-159.6	0	0	111.1	R316 R317 R323 R324	R316-E320 IonicContact CZ-OE1 2.66Å; R316-E320 IonicContact NE-OE1 3.37Å; R316-E320 PolarHBondContact NE-OE1 2.69Å; R316-E320 IonicContact NH2-OE1 2.66Å; R316-E320 PolarHBondContact NH2-OE1 3.11Å; R316-E320 WeakPolarHBondContact O-CG 3.44Å; R316-E320 PolarHBondContact O-N 3.4Å; R317-E320 PolarHBondContact O-N 3.44Å; E320-R323 PolarHBondContact O-N 3.05Å; E320-R324 WeakPolarHBondContact O-CB 3.34Å; E320-R324 PolarHBondContact O-N 3.05Å
321	E	84.4	Confident	87.3	Confident	95 Å²	95	91.4 Å²	91.4	44%	0.444	40%	0.4	S	S	.	.	H	α-helix	trans	-64.4	-46	175	-162.9	-156	128.6	0	0	112.3	R317 E318 R323 R324 F325 R330	R317-E321 PolarHBondContact O-N 3.21Å; E318-E321 PolarHBondContact O-N 2.99Å; E321-R323 VanDerWaalsContact C-N 3.29Å; E321-R323 PolarHBondContact O-N 2.95Å; E321-R324 PolarHBondContact O-N 2.98Å; E321-F325 PolarHBondContact O-N 3.4Å; E321-R330 IonicContact OE1-CZ 2.69Å; E321-R330 IonicContact OE1-NH1 3.27Å; E321-R330 PolarHBondContact OE1-NH1 3.25Å; E321-R330 IonicContact OE1-NH2 3.98Å; E321-R330 PolarHBondContact OE1-NH2 2.97Å
322	R	83.3	Confident	87.4	Confident	79 Å²	79	89.4 Å²	89.4	30%	0.298	39%	0.391	S	S	.	.	H	α-helix	trans	-58.2	-39.2	175.2	-71.3	176.7	-165.5	98.5	7.7	111.6	E318 F325 E353	E318-R322 VanDerWaalsContact C-NH1 3.32Å; E318-R322 VanDerWaalsContact O-CG 3.29Å; E318-R322 WeakPolarHBondContact O-CG 3.34Å; E318-R322 PolarHBondContact O-N 2.97Å; E318-R322 IonicContact OE2-CZ 3.17Å; E318-R322 IonicContact OE2-NH1 2.75Å; E318-R322 IonicContact OE2-NH2 3.63Å; E318-R322 PolarHBondContact OE2-NH2 2.99Å; R322-F325 CarbonylContact O-C 3.57Å; R322-E353 IonicContact NE-OE1 3.15Å; R322-E353 PolarHBondContact NE-OE1 2.9Å
323	R	83.1	Confident	87.5	Confident	209 Å²	209	89.5 Å²	89.5	79%	0.789	39%	0.391	S	S	*	.	H	α-helix	trans	-68.4	-40.5	175.3	-73.5	170.4	-175.6	-172.2	2.4	112.4	A319 E320 E321	A319-R323 VanDerWaalsContact O-CG 3.25Å; A319-R323 WeakPolarHBondContact O-CG 3.33Å; A319-R323 PolarHBondContact O-N 3.35Å; E320-R323 PolarHBondContact O-N 3.05Å; E321-R323 VanDerWaalsContact C-N 3.29Å; E321-R323 PolarHBondContact O-N 2.95Å
324	R	83.4	Confident	87.5	Confident	188 Å²	188	90 Å²	90	71%	0.709	39%	0.392	S	S	*	.	H	α-helix	trans	-69.2	-38.7	179.9	-173.3	176.6	177.9	177.9	0.9	112.4	E320 E321	E320-R324 WeakPolarHBondContact O-CB 3.34Å; E320-R324 PolarHBondContact O-N 3.05Å; E321-R324 PolarHBondContact O-N 2.98Å
325	F	83.5	Confident	87.9	Confident	102 Å²	102	87.7 Å²	87.7	45%	0.447	38%	0.381	S	S	.	.	S	Bend	trans	-128.2	79.5	-176.5	-62.9	-71.3	0	0	0	110.7	E321 R322 R330	E321-F325 PolarHBondContact O-N 3.4Å; R322-F325 CarbonylContact O-C 3.57Å; F325-R330 PolarHBondContact O-NE 2.8Å
326	P	87.8	Confident	88.1	Confident	31 Å²	31	86.6 Å²	86.6	20%	0.201	37%	0.368	C	S	.	.			trans	-60.2	144.7	-177.2	24.1	-34.5	0	0	0	112.1	E328 R329 R330	P326-E328 PolarHBondContact O-N 3.45Å; P326-R329 HydrophobicContact CG-CG 4.09Å; P326-R329 PolarHBondContact O-N 3.16Å; P326-R330 PolarHBondContact O-N 3.42Å
327	L	89.3	Confident	88.1	Confident	8 Å²	8	79.7 Å²	79.7	4%	0.042	35%	0.346	C	S	.	.	H	α-helix	trans	-51	-40.9	-176.7	175	55.7	0	0	0	113	R329 R330 L331 A346 I349 Y385	L327-R329 VanDerWaalsContact C-N 3.26Å; L327-R329 PolarHBondContact O-N 3.1Å; L327-R330 PolarHBondContact O-N 2.86Å; L327-L331 HydrophobicContact CD1-CD1 3.85Å; L327-L331 HydrophobicContact CD1-CD2 4.36Å; L327-L331 HydrophobicContact CD1-CG 3.86Å; L327-L331 HydrophobicContact CG-CD1 3.86Å; L327-L331 HydrophobicContact CG-CG 4.32Å; L327-L331 WeakPolarHBondContact O-CG 3.22Å; L327-L331 PolarHBondContact O-N 2.9Å; L327-A346 HydrophobicContact CB-CB 4.36Å; L327-A346 HydrophobicContact CD2-CB 3.99Å; L327-A346 HydrophobicContact CG-CB 4.05Å; L327-I349 HydrophobicContact CD2-CB 3.92Å; L327-I349 HydrophobicContact CD2-CD1 4.01Å; L327-I349 HydrophobicContact CD2-CG2 3.75Å; L327-Y385 HydrophobicContact CD1-CD1 3.66Å; L327-Y385 HydrophobicContact CD1-CD2 3.62Å; L327-Y385 HydrophobicContact CD1-CE1 3.94Å; L327-Y385 HydrophobicContact CD1-CE2 3.88Å; L327-Y385 HydrophobicContact CD1-CG 3.5Å; L327-Y385 HydrophobicContact CD2-CD1 4.43Å; L327-Y385 HydrophobicContact CD2-CE1 4.21Å
328	E	91.9	Very high	88.3	Confident	30 Å²	30	73.5 Å²	73.5	14%	0.14	32%	0.323	C	S	.	.	H	α-helix	trans	-54.3	-41	177.8	-64.1	88.8	152.3	0	0	112.3	P326 K332 I342 A346 R350	P326-E328 PolarHBondContact O-N 3.45Å; E328-K332 WeakPolarHBondContact O-CB 3.48Å; E328-K332 VanDerWaalsContact O-CG 3.29Å; E328-K332 WeakPolarHBondContact O-CG 3.37Å; E328-K332 PolarHBondContact O-N 3.06Å; E328-I342 HydrophobicContact CB-CG2 4.27Å; E328-I342 HydrophobicContact CG-CG2 4.42Å; E328-A346 HydrophobicContact CG-CB 3.61Å; E328-R350 IonicContact OE1-CZ 3.69Å; E328-R350 IonicContact OE1-NH1 3.71Å; E328-R350 PolarHBondContact OE1-NH1 3.25Å; E328-R350 IonicContact OE1-NH2 3.94Å; E328-R350 PolarHBondContact OE1-NH2 3.49Å; E328-R350 IonicContact OE2-NH2 3.41Å; E328-R350 PolarHBondContact OE2-NH2 3.21Å
329	R	90.4	Very high	88.6	Confident	165 Å²	165	74 Å²	74	62%	0.623	33%	0.325	S	S	*	.	H	α-helix	trans	-69.4	-45.6	178.7	-70	-177.9	179.3	172	-2.3	111.4	P326 L327 L331 K332 E333	P326-R329 HydrophobicContact CG-CG 4.09Å; P326-R329 PolarHBondContact O-N 3.16Å; L327-R329 VanDerWaalsContact C-N 3.26Å; L327-R329 PolarHBondContact O-N 3.1Å; R329-L331 PolarHBondContact O-N 3.18Å; R329-K332 PolarHBondContact O-N 3.43Å; R329-K332 VanDerWaalsContact O-N 3.17Å; R329-E333 WeakPolarHBondContact O-CG 3.45Å; R329-E333 PolarHBondContact O-N 3.49Å
330	R	89.8	Confident	88.9	Confident	69 Å²	69	74 Å²	74	26%	0.26	33%	0.328	S	S	.	.	H	α-helix	trans	-59	-36.1	177.4	-57.6	-175.9	-171.7	-147.1	-2.9	112	E321 F325 P326 L327 H334	E321-R330 IonicContact OE1-CZ 2.69Å; E321-R330 IonicContact OE1-NH1 3.27Å; E321-R330 PolarHBondContact OE1-NH1 3.25Å; E321-R330 IonicContact OE1-NH2 3.98Å; E321-R330 PolarHBondContact OE1-NH2 2.97Å; F325-R330 PolarHBondContact O-NE 2.8Å; P326-R330 PolarHBondContact O-N 3.42Å; L327-R330 PolarHBondContact O-N 2.86Å; R330-H334 PolarHBondContact O-ND1 3.34Å
331	L	92.6	Very high	89.1	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-73.1	-44.5	175.3	-66.6	174.7	0	0	0	112	L327 R329 E333 H334 I335 I342 L378 Q381 V382	L327-L331 HydrophobicContact CD1-CD1 3.85Å; L327-L331 HydrophobicContact CD1-CD2 4.36Å; L327-L331 HydrophobicContact CD1-CG 3.86Å; L327-L331 HydrophobicContact CG-CD1 3.86Å; L327-L331 HydrophobicContact CG-CG 4.32Å; L327-L331 WeakPolarHBondContact O-CG 3.22Å; L327-L331 PolarHBondContact O-N 2.9Å; R329-L331 PolarHBondContact O-N 3.18Å; L331-E333 VanDerWaalsContact C-N 3.28Å; L331-E333 PolarHBondContact O-N 3.16Å; L331-H334 PolarHBondContact O-N 3.01Å; L331-I335 HydrophobicContact CB-CD1 4.46Å; L331-I335 WeakPolarHBondContact O-CB 3.43Å; L331-I335 PolarHBondContact O-N 3.29Å; L331-I342 HydrophobicContact CB-CG2 3.92Å; L331-I342 HydrophobicContact CD1-CG2 4Å; L331-L378 HydrophobicContact CD1-CD1 4.09Å; L331-L378 HydrophobicContact CD2-CD1 4.28Å; L331-Q381 HydrophobicContact CD2-CB 3.58Å; L331-V382 HydrophobicContact CD2-CG2 4.38Å
332	K	91.6	Very high	89.6	Confident	77 Å²	77	65.3 Å²	65.3	34%	0.335	29%	0.288	S	S	.	.	H	α-helix	trans	-62.3	-27.1	176.9	-76.5	-177.1	-179	-162.3	0	114.1	E328 R329 H334 I335 E339 I342	E328-K332 WeakPolarHBondContact O-CB 3.48Å; E328-K332 VanDerWaalsContact O-CG 3.29Å; E328-K332 WeakPolarHBondContact O-CG 3.37Å; E328-K332 PolarHBondContact O-N 3.06Å; R329-K332 PolarHBondContact O-N 3.43Å; R329-K332 VanDerWaalsContact O-N 3.17Å; K332-H334 PolarHBondContact O-N 3.45Å; K332-I335 VanDerWaalsContact O-O 3.11Å; K332-E339 VanDerWaalsContact CE-CD 3.5Å; K332-E339 VanDerWaalsContact CE-OE1 3.29Å; K332-E339 WeakPolarHBondContact CE-OE1 3.32Å; K332-E339 IonicContact NZ-OE1 3.09Å; K332-E339 PolarHBondContact NZ-OE1 3.23Å; K332-E339 IonicContact NZ-OE2 2.7Å; K332-E339 PolarHBondContact NZ-OE2 2.92Å; K332-I342 HydrophobicContact CG-CD1 3.92Å
333	E	90.3	Very high	90.1	Very high	143 Å²	143	64.1 Å²	64.1	67%	0.668	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-31	171.8	-74.1	165.7	-162.3	0	0	112.8	R329 L331	R329-E333 WeakPolarHBondContact O-CG 3.45Å; R329-E333 PolarHBondContact O-N 3.49Å; L331-E333 VanDerWaalsContact C-N 3.28Å; L331-E333 PolarHBondContact O-N 3.16Å
334	H	90.1	Very high	90.6	Very high	85 Å²	85	56.2 Å²	56.2	39%	0.394	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-27	-174.1	-68.2	85	0	0	0	113.3	R330 L331 K332 Q381 K570	R330-H334 PolarHBondContact O-ND1 3.34Å; L331-H334 PolarHBondContact O-N 3.01Å; K332-H334 PolarHBondContact O-N 3.45Å; H334-Q381 HydrophobicContact CB-CG 3.94Å; H334-K570 PolarHBondContact O-NZ 3.49Å
335	I	92.9	Very high	91.2	Very high	16 Å²	16	47.2 Å²	47.2	8%	0.082	23%	0.229	C	C	.	.	S	Bend	trans	-114.4	122.8	-173.4	-57	171.3	0	0	0	108.5	L331 K332 I342 L378 Q381	L331-I335 HydrophobicContact CB-CD1 4.46Å; L331-I335 WeakPolarHBondContact O-CB 3.43Å; L331-I335 PolarHBondContact O-N 3.29Å; K332-I335 VanDerWaalsContact O-O 3.11Å; I335-I342 HydrophobicContact CB-CD1 4.18Å; I335-I342 HydrophobicContact CG2-CD1 4.1Å; I335-L378 HydrophobicContact CD1-CB 3.96Å; I335-L378 HydrophobicContact CD1-CD1 3.38Å; I335-L378 HydrophobicContact CD1-CG 4.27Å; I335-Q381 HydrophobicContact CD1-CB 4.28Å; I335-Q381 HydrophobicContact CD1-CG 4.08Å; I335-Q381 HydrophobicContact CG1-CG 4.1Å
336	I	91.6	Very high	91.7	Very high	29 Å²	29	42.4 Å²	42.4	15%	0.149	21%	0.207	C	C	.	.			trans	-83.9	128	176	-67.3	167	0	0	0	108	E563 Q566 L567 K570	I336-E563 HydrophobicContact CG2-CB 4.06Å; I336-E563 HydrophobicContact CG2-CG 4.28Å; I336-Q566 HydrophobicContact CD1-CB 4.05Å; I336-Q566 HydrophobicContact CG1-CB 4.48Å; I336-Q566 HydrophobicContact CG2-CB 3.97Å; I336-L567 HydrophobicContact CD1-CB 4.25Å; I336-K570 HydrophobicContact CD1-CB 4.11Å; I336-K570 HydrophobicContact CD1-CD 3.65Å; I336-K570 HydrophobicContact CG1-CD 4.49Å
337	G	89.3	Confident	92	Very high	14 Å²	14	43 Å²	43	14%	0.144	21%	0.212	C	C	.	.	S	Bend	trans	70.7	-151.6	176.7	0	0	0	0	0	114.5	E339 I342 E563	G337-E339 VanDerWaalsContact C-N 3.26Å; G337-E339 PolarHBondContact O-N 3.26Å; G337-I342 WeakPolarHBondContact O-CD1 3.24Å; G337-E563 WeakPolarHBondContact CA-OE1 3.33Å
338	Q	91.9	Very high	92.2	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.047	21%	0.211	C	C	.	.			trans	57.9	34	174.4	-50.7	-58.8	-37.3	0	0	114	G340 A341 I342 F556 L557 F559 E563	Q338-G340 VanDerWaalsContact C-N 3.32Å; Q338-G340 PolarHBondContact O-N 3.22Å; Q338-A341 HydrophobicContact CB-CB 4.34Å; Q338-A341 WeakPolarHBondContact O-CB 3.43Å; Q338-A341 PolarHBondContact O-N 2.93Å; Q338-I342 PolarHBondContact O-N 3.48Å; Q338-F556 HydrophobicContact CB-CD1 4.46Å; Q338-F556 HydrophobicContact CG-CD1 4.15Å; Q338-L557 PolarHBondContact NE2-O 3.03Å; Q338-L557 PolarHBondContact OE1-O 2.92Å; Q338-F559 HydrophobicContact CG-CE1 4.39Å; Q338-E563 PolarHBondContact N-OE1 3.42Å
339	E	90.4	Very high	92.2	Very high	81 Å²	81	41.3 Å²	41.3	38%	0.379	21%	0.205	S	C	.	.	H	α-helix	trans	-56.9	-42.2	-171.9	-56.6	-140.1	153.2	0	0	113.3	K332 G337 A341 I342 N343	K332-E339 VanDerWaalsContact CE-CD 3.5Å; K332-E339 VanDerWaalsContact CE-OE1 3.29Å; K332-E339 WeakPolarHBondContact CE-OE1 3.32Å; K332-E339 IonicContact NZ-OE1 3.09Å; K332-E339 PolarHBondContact NZ-OE1 3.23Å; K332-E339 IonicContact NZ-OE2 2.7Å; K332-E339 PolarHBondContact NZ-OE2 2.92Å; G337-E339 VanDerWaalsContact C-N 3.26Å; G337-E339 PolarHBondContact O-N 3.26Å; E339-A341 VanDerWaalsContact C-N 3.31Å; E339-A341 PolarHBondContact O-N 3Å; E339-I342 PolarHBondContact O-N 3.26Å; E339-N343 WeakPolarHBondContact O-CB 3.36Å; E339-N343 PolarHBondContact O-N 2.99Å; E339-N343 PolarHBondContact O-ND2 3.43Å
340	G	90.4	Very high	92.2	Very high	30 Å²	30	38.6 Å²	38.6	31%	0.309	19%	0.194	S	C	.	.	H	α-helix	trans	-57.5	-42.1	175.8	0	0	0	0	0	112.8	Q338 N343 T344	Q338-G340 VanDerWaalsContact C-N 3.32Å; Q338-G340 PolarHBondContact O-N 3.22Å; G340-N343 PolarHBondContact O-N 3.24Å; G340-T344 PolarHBondContact O-N 3.45Å; G340-T344 PolarHBondContact O-OG1 2.87Å
341	A	93.5	Very high	92.3	Very high	2 Å²	2	40.1 Å²	40.1	2%	0.017	20%	0.2	C	C	.	.	H	α-helix	trans	-68.1	-43.9	178.3	0	0	0	0	0	112	Q338 E339 T344 V345 L378 V554 F556	Q338-A341 HydrophobicContact CB-CB 4.34Å; Q338-A341 WeakPolarHBondContact O-CB 3.43Å; Q338-A341 PolarHBondContact O-N 2.93Å; E339-A341 VanDerWaalsContact C-N 3.31Å; E339-A341 PolarHBondContact O-N 3Å; A341-T344 PolarHBondContact O-N 3.23Å; A341-V345 WeakPolarHBondContact O-CG2 3.5Å; A341-V345 PolarHBondContact O-N 3.36Å; A341-V345 VanDerWaalsContact O-N 3.1Å; A341-L378 HydrophobicContact CB-CD2 4.44Å; A341-V554 HydrophobicContact CB-CG1 3.51Å; A341-F556 HydrophobicContact CB-CD1 4.37Å; A341-F556 HydrophobicContact CB-CD2 4.39Å; A341-F556 HydrophobicContact CB-CE1 4.18Å; A341-F556 HydrophobicContact CB-CE2 4.18Å; A341-F556 HydrophobicContact CB-CG 4.49Å; A341-F556 HydrophobicContact CB-CZ 4.08Å
342	I	95	Very high	92.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.6	-46.9	175.8	-66.2	172	0	0	0	110.3	E328 L331 K332 I335 G337 Q338 E339 V345 A346 L378	E328-I342 HydrophobicContact CB-CG2 4.27Å; E328-I342 HydrophobicContact CG-CG2 4.42Å; L331-I342 HydrophobicContact CB-CG2 3.92Å; L331-I342 HydrophobicContact CD1-CG2 4Å; K332-I342 HydrophobicContact CG-CD1 3.92Å; I335-I342 HydrophobicContact CB-CD1 4.18Å; I335-I342 HydrophobicContact CG2-CD1 4.1Å; G337-I342 WeakPolarHBondContact O-CD1 3.24Å; Q338-I342 PolarHBondContact O-N 3.48Å; E339-I342 PolarHBondContact O-N 3.26Å; I342-V345 PolarHBondContact O-N 3.21Å; I342-A346 WeakPolarHBondContact O-CB 3.45Å; I342-A346 PolarHBondContact O-N 2.9Å; I342-L378 HydrophobicContact CG1-CD1 4.24Å
343	N	93.4	Very high	92	Very high	54 Å²	54	40.5 Å²	40.5	29%	0.289	20%	0.203	S	C	.	.	H	α-helix	trans	-64.9	-43.7	-178.2	-68.8	-20.8	0	0	0	112	E339 G340 S347	E339-N343 WeakPolarHBondContact O-CB 3.36Å; E339-N343 PolarHBondContact O-N 2.99Å; E339-N343 PolarHBondContact O-ND2 3.43Å; G340-N343 PolarHBondContact O-N 3.24Å; N343-S347 VanDerWaalsContact O-CB 3.28Å; N343-S347 WeakPolarHBondContact O-CB 3.48Å; N343-S347 PolarHBondContact O-N 3.04Å; N343-S347 PolarHBondContact O-OG 3.43Å
344	T	93.9	Very high	91.8	Very high	43 Å²	43	38.2 Å²	38.2	26%	0.264	20%	0.195	S	C	.	.	H	α-helix	trans	-60.1	-51.1	175.4	-64.6	0	0	0	0	111.2	G340 A341 S347 A348 E552 V554	G340-T344 PolarHBondContact O-N 3.45Å; G340-T344 PolarHBondContact O-OG1 2.87Å; A341-T344 PolarHBondContact O-N 3.23Å; T344-S347 PolarHBondContact O-N 3.13Å; T344-S347 PolarHBondContact O-OG 3.4Å; T344-A348 PolarHBondContact O-N 3.01Å; T344-A348 VanDerWaalsContact O-N 3.16Å; T344-E552 HydrophobicContact CG2-CB 4.12Å; T344-E552 HydrophobicContact CG2-CG 4.3Å; T344-V554 HydrophobicContact CG2-CG2 4Å
345	V	95.6	Very high	91.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.5	-45.3	-179	172.9	0	0	0	0	111.5	A341 I342 S347 A348 I349 F365 F367 L378 V382 V554	A341-V345 WeakPolarHBondContact O-CG2 3.5Å; A341-V345 PolarHBondContact O-N 3.36Å; A341-V345 VanDerWaalsContact O-N 3.1Å; I342-V345 PolarHBondContact O-N 3.21Å; V345-S347 VanDerWaalsContact C-N 3.34Å; V345-S347 PolarHBondContact O-N 2.74Å; V345-A348 PolarHBondContact O-N 2.61Å; V345-I349 HydrophobicContact CG1-CD1 3.66Å; V345-I349 HydrophobicContact CG1-CG1 4.43Å; V345-I349 WeakPolarHBondContact O-CG1 3.16Å; V345-I349 PolarHBondContact O-N 2.92Å; V345-F365 HydrophobicContact CB-CE1 4.46Å; V345-F365 HydrophobicContact CG1-CZ 4.26Å; V345-F365 HydrophobicContact CG2-CD1 4.25Å; V345-F365 HydrophobicContact CG2-CE1 4.12Å; V345-F367 HydrophobicContact CG2-CE1 3.73Å; V345-F367 HydrophobicContact CG2-CZ 3.79Å; V345-L378 HydrophobicContact CB-CD2 4.41Å; V345-L378 HydrophobicContact CG2-CD2 3.91Å; V345-V382 HydrophobicContact CG1-CG2 3.79Å; V345-V554 HydrophobicContact CG2-CG1 4.15Å; V345-V554 HydrophobicContact CG2-CG2 3.88Å
346	A	94.4	Very high	91.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.3	-36.5	178	0	0	0	0	0	112.6	L327 E328 I342 A348 R350	L327-A346 HydrophobicContact CB-CB 4.36Å; L327-A346 HydrophobicContact CD2-CB 3.99Å; L327-A346 HydrophobicContact CG-CB 4.05Å; E328-A346 HydrophobicContact CG-CB 3.61Å; I342-A346 WeakPolarHBondContact O-CB 3.45Å; I342-A346 PolarHBondContact O-N 2.9Å; A346-A348 PolarHBondContact O-N 2.97Å; A346-R350 WeakPolarHBondContact O-CB 3.34Å; A346-R350 PolarHBondContact O-N 3.49Å
347	S	92.8	Very high	91.4	Very high	43 Å²	43	47.1 Å²	47.1	30%	0.301	24%	0.237	S	C	.	.	H	α-helix	trans	-65.7	-36.5	176.1	78.3	0	0	0	0	113	N343 T344 V345 R351	N343-S347 VanDerWaalsContact O-CB 3.28Å; N343-S347 WeakPolarHBondContact O-CB 3.48Å; N343-S347 PolarHBondContact O-N 3.04Å; N343-S347 PolarHBondContact O-OG 3.43Å; T344-S347 PolarHBondContact O-N 3.13Å; T344-S347 PolarHBondContact O-OG 3.4Å; V345-S347 VanDerWaalsContact C-N 3.34Å; V345-S347 PolarHBondContact O-N 2.74Å; S347-R351 PolarHBondContact O-N 3.18Å
348	A	93.6	Very high	91.3	Very high	2 Å²	2	50.4 Å²	50.4	2%	0.017	25%	0.251	C	S	.	.	H	α-helix	trans	-75.6	-40.8	178	0	0	0	0	0	111.9	T344 V345 A346 R351 K352 L363 F365 E552	T344-A348 PolarHBondContact O-N 3.01Å; T344-A348 VanDerWaalsContact O-N 3.16Å; V345-A348 PolarHBondContact O-N 2.61Å; A346-A348 PolarHBondContact O-N 2.97Å; A348-R351 WeakPolarHBondContact O-CB 3.25Å; A348-R351 PolarHBondContact O-N 3.49Å; A348-K352 PolarHBondContact O-N 3.02Å; A348-L363 HydrophobicContact CB-CD1 4.4Å; A348-L363 HydrophobicContact CB-CD2 4.41Å; A348-F365 HydrophobicContact CB-CE1 3.63Å; A348-F365 HydrophobicContact CB-CZ 3.56Å; A348-E552 HydrophobicContact CB-CG 4.3Å
349	I	92.8	Very high	91.1	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-42.8	172	-66.5	167.7	0	0	0	110.5	L327 V345 R351 K352 E353 V382 M386 I478	L327-I349 HydrophobicContact CD2-CB 3.92Å; L327-I349 HydrophobicContact CD2-CD1 4.01Å; L327-I349 HydrophobicContact CD2-CG2 3.75Å; V345-I349 HydrophobicContact CG1-CD1 3.66Å; V345-I349 HydrophobicContact CG1-CG1 4.43Å; V345-I349 WeakPolarHBondContact O-CG1 3.16Å; V345-I349 PolarHBondContact O-N 2.92Å; I349-R351 VanDerWaalsContact C-N 3.32Å; I349-R351 PolarHBondContact O-N 3.48Å; I349-K352 PolarHBondContact O-N 3.18Å; I349-K352 VanDerWaalsContact O-N 3.1Å; I349-E353 HydrophobicContact CG2-CG 4.18Å; I349-E353 PolarHBondContact O-N 3.17Å; I349-V382 HydrophobicContact CD1-CB 4.43Å; I349-V382 HydrophobicContact CD1-CG1 3.58Å; I349-V382 HydrophobicContact CD1-CG2 3.97Å; I349-M386 HydrophobicContact CG2-SD 4.08Å; I349-I478 HydrophobicContact CG1-CD1 4.34Å
350	R	90.8	Very high	90.9	Very high	108 Å²	108	57.5 Å²	57.5	41%	0.408	28%	0.284	S	S	.	.	H	α-helix	trans	-60.1	-39.7	174.9	-178.5	-175.1	-66.2	138.2	6.3	112	E328 A346 N354	E328-R350 IonicContact OE1-CZ 3.69Å; E328-R350 IonicContact OE1-NH1 3.71Å; E328-R350 PolarHBondContact OE1-NH1 3.25Å; E328-R350 IonicContact OE1-NH2 3.94Å; E328-R350 PolarHBondContact OE1-NH2 3.49Å; E328-R350 IonicContact OE2-NH2 3.41Å; E328-R350 PolarHBondContact OE2-NH2 3.21Å; A346-R350 WeakPolarHBondContact O-CB 3.34Å; A346-R350 PolarHBondContact O-N 3.49Å; R350-N354 WeakPolarHBondContact O-CB 3.35Å; R350-N354 PolarHBondContact O-N 3.03Å; R350-N354 PolarHBondContact O-ND2 3.19Å
351	R	91.5	Very high	90.9	Very high	101 Å²	101	58.7 Å²	58.7	38%	0.381	28%	0.282	S	S	.	.	H	α-helix	trans	-58.4	-49.8	171.8	-85.7	-177.8	-75.6	165.9	-6.8	110.7	S347 A348 I349 N354 G355 W356 E552	S347-R351 PolarHBondContact O-N 3.18Å; A348-R351 WeakPolarHBondContact O-CB 3.25Å; A348-R351 PolarHBondContact O-N 3.49Å; I349-R351 VanDerWaalsContact C-N 3.32Å; I349-R351 PolarHBondContact O-N 3.48Å; R351-N354 PolarHBondContact O-N 3.46Å; R351-G355 PolarHBondContact O-N 3Å; R351-W356 HydrophobicContact CB-CB 4.4Å; R351-W356 WeakPolarHBondContact CB-O 3.16Å; R351-W356 HydrophobicContact CG-CB 4.33Å; R351-W356 PolarHBondContact O-N 2.8Å; R351-E552 IonicContact CZ-OE1 3.78Å; R351-E552 IonicContact NH1-OE1 3.73Å; R351-E552 IonicContact NH2-OE1 3.35Å; R351-E552 PolarHBondContact NH2-OE1 3.44Å
352	K	90.2	Very high	90.9	Very high	24 Å²	24	58.7 Å²	58.7	10%	0.104	28%	0.282	C	S	.	.	H	α-helix	trans	-60.9	-51.3	178.6	-177.1	157.8	-180	161.1	0	113.4	A348 I349 N354 G355 Y357 L363 K475 D476 A477	A348-K352 PolarHBondContact O-N 3.02Å; I349-K352 PolarHBondContact O-N 3.18Å; I349-K352 VanDerWaalsContact O-N 3.1Å; K352-N354 PolarHBondContact O-N 2.81Å; K352-N354 VanDerWaalsContact O-N 3.14Å; K352-G355 PolarHBondContact O-N 3.47Å; K352-G355 VanDerWaalsContact O-N 3.11Å; K352-Y357 HydrophobicContact CB-CD1 4.19Å; K352-Y357 HydrophobicContact CB-CG 4.17Å; K352-Y357 HydrophobicContact CD-CD2 4.21Å; K352-Y357 HydrophobicContact CD-CE2 4.01Å; K352-Y357 HydrophobicContact CG-CD1 4.05Å; K352-Y357 HydrophobicContact CG-CD2 4.11Å; K352-Y357 HydrophobicContact CG-CE1 3.93Å; K352-Y357 HydrophobicContact CG-CE2 3.99Å; K352-Y357 HydrophobicContact CG-CG 4.14Å; K352-Y357 WeakPolarHBondContact O-CE1 3.3Å; K352-L363 HydrophobicContact CB-CD2 4.34Å; K352-L363 HydrophobicContact CD-CB 4.02Å; K352-L363 HydrophobicContact CD-CD2 4.09Å; K352-K475 PolarHBondContact NZ-O 3.05Å; K352-D476 PolarHBondContact NZ-O 3.12Å; K352-A477 PolarHBondContact NZ-O 2.85Å
353	E	87.4	Confident	90.8	Very high	65 Å²	65	59.4 Å²	59.4	30%	0.304	29%	0.285	S	S	.	.	H	α-helix	trans	-59.3	-25.8	178.9	-74.9	-172.5	131.3	0	0	113.9	R322 I349 Y385	R322-E353 IonicContact NE-OE1 3.15Å; R322-E353 PolarHBondContact NE-OE1 2.9Å; I349-E353 HydrophobicContact CG2-CG 4.18Å; I349-E353 PolarHBondContact O-N 3.17Å; E353-Y385 WeakPolarHBondContact OE1-CE1 3.3Å; E353-Y385 PolarHBondContact OE1-OH 2.96Å; E353-Y385 PolarHBondContact OE2-OH 3.48Å
354	N	87.4	Confident	90.9	Very high	95 Å²	95	56.9 Å²	56.9	51%	0.508	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	9.3	-179.5	-68.5	-79.9	0	0	0	113.4	R350 R351 K352 W356	R350-N354 WeakPolarHBondContact O-CB 3.35Å; R350-N354 PolarHBondContact O-N 3.03Å; R350-N354 PolarHBondContact O-ND2 3.19Å; R351-N354 PolarHBondContact O-N 3.46Å; K352-N354 PolarHBondContact O-N 2.81Å; K352-N354 VanDerWaalsContact O-N 3.14Å; N354-W356 VanDerWaalsContact C-N 3.31Å; N354-W356 VanDerWaalsContact O-CD1 3.28Å; N354-W356 PolarHBondContact O-N 3.37Å; N354-W356 PolarHBondContact O-NE1 3.39Å
355	G	87.6	Confident	91.1	Very high	45 Å²	45	54.8 Å²	54.8	46%	0.464	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	12.3	178.7	0	0	0	0	0	115.6	R351 K352 Y357	R351-G355 PolarHBondContact O-N 3Å; K352-G355 PolarHBondContact O-N 3.47Å; K352-G355 VanDerWaalsContact O-N 3.11Å; G355-Y357 PolarHBondContact O-N 2.95Å
356	W	90.2	Very high	91.1	Very high	205 Å²	205	54.8 Å²	54.8	78%	0.777	26%	0.259	S	S	*	.			trans	-92.1	49.1	176.1	-58.1	93.7	0	0	0	111.3	R351 N354	R351-W356 HydrophobicContact CB-CB 4.4Å; R351-W356 WeakPolarHBondContact CB-O 3.16Å; R351-W356 HydrophobicContact CG-CB 4.33Å; R351-W356 PolarHBondContact O-N 2.8Å; N354-W356 VanDerWaalsContact C-N 3.31Å; N354-W356 VanDerWaalsContact O-CD1 3.28Å; N354-W356 PolarHBondContact O-N 3.37Å; N354-W356 PolarHBondContact O-NE1 3.39Å
357	Y	88.2	Confident	91.3	Very high	66 Å²	66	54.8 Å²	54.8	26%	0.259	26%	0.259	S	S	.	.	S	Bend	trans	-143.6	171.5	179.8	80.6	-69	0	0	0	110.3	K352 G355 E359	K352-Y357 HydrophobicContact CB-CD1 4.19Å; K352-Y357 HydrophobicContact CB-CG 4.17Å; K352-Y357 HydrophobicContact CD-CD2 4.21Å; K352-Y357 HydrophobicContact CD-CE2 4.01Å; K352-Y357 HydrophobicContact CG-CD1 4.05Å; K352-Y357 HydrophobicContact CG-CD2 4.11Å; K352-Y357 HydrophobicContact CG-CE1 3.93Å; K352-Y357 HydrophobicContact CG-CE2 3.99Å; K352-Y357 HydrophobicContact CG-CG 4.14Å; K352-Y357 WeakPolarHBondContact O-CE1 3.3Å; G355-Y357 PolarHBondContact O-N 2.95Å; Y357-E359 HydrophobicContact CE1-CG 4.42Å
358	D	86.6	Confident	91.4	Very high	84 Å²	84	52.8 Å²	52.8	45%	0.449	25%	0.245	S	C	.	.			trans	-82.7	116.7	174.6	-172.7	-19.2	0	0	0	109.8	E360 H361	D358-E360 VanDerWaalsContact C-N 3.28Å; D358-E360 PolarHBondContact O-N 2.85Å; D358-E360 WeakPolarHBondContact OD1-CB 3.38Å; D358-E360 PolarHBondContact OD1-N 2.88Å; D358-H361 VanDerWaalsContact CG-ND1 3.3Å; D358-H361 VanDerWaalsContact O-O 3.05Å; D358-H361 IonicContact OD1-ND1 2.72Å; D358-H361 IonicContact OD2-CE1 3.03Å; D358-H361 PolarHBondContact OD2-CE1 2.87Å; D358-H361 IonicContact OD2-CG 3.5Å; D358-H361 IonicContact OD2-ND1 2.77Å; D358-H361 PolarHBondContact OD2-ND1 2.86Å
359	E	87.1	Confident	91.4	Very high	131 Å²	131	52.7 Å²	52.7	61%	0.612	24%	0.244	S	C	*	.	S	Bend	trans	-72.6	-17.8	-179.5	-62.7	-174.7	169.1	0	0	113.1	Y357 K475	Y357-E359 HydrophobicContact CE1-CG 4.42Å; E359-K475 WeakPolarHBondContact O-CD 3.45Å
360	E	87.4	Confident	91.3	Very high	108 Å²	108	53 Å²	53	51%	0.505	25%	0.246	S	C	.	.	S	Bend	trans	-80.8	-28.2	179.2	-68.5	-58.5	113.6	0	0	112.9	D358 K475	D358-E360 VanDerWaalsContact C-N 3.28Å; D358-E360 PolarHBondContact O-N 2.85Å; D358-E360 WeakPolarHBondContact OD1-CB 3.38Å; D358-E360 PolarHBondContact OD1-N 2.88Å; E360-K475 WeakPolarHBondContact O-CE 3.33Å; E360-K475 IonicContact OE1-NZ 3.67Å; E360-K475 PolarHBondContact OE1-NZ 3.12Å; E360-K475 WeakPolarHBondContact OE2-CE 3.28Å; E360-K475 IonicContact OE2-NZ 2.84Å; E360-K475 PolarHBondContact OE2-NZ 3.27Å
361	H	89.6	Confident	91.3	Very high	56 Å²	56	48.9 Å²	48.9	26%	0.259	23%	0.234	S	C	.	.	S	Bend	trans	-114.7	137.6	-172.9	-57.8	93.2	0	0	0	111.7	D358 F459 D460	D358-H361 VanDerWaalsContact CG-ND1 3.3Å; D358-H361 VanDerWaalsContact O-O 3.05Å; D358-H361 IonicContact OD1-ND1 2.72Å; D358-H361 IonicContact OD2-CE1 3.03Å; D358-H361 PolarHBondContact OD2-CE1 2.87Å; D358-H361 IonicContact OD2-CG 3.5Å; D358-H361 IonicContact OD2-ND1 2.77Å; D358-H361 PolarHBondContact OD2-ND1 2.86Å; H361-F459 PolarHBondContact CD2-O 3.03Å; H361-D460 PolarHBondContact CD2-O 2.77Å; H361-D460 PolarHBondContact NE2-O 3.43Å
362	P	93	Very high	91.1	Very high	2 Å²	2	45 Å²	45	1%	0.013	23%	0.226	C	C	.	.			trans	-73.1	160.9	-179.9	33.1	-35.8	0	0	0	111.8	V364 F459 K475 F479 N551	P362-V364 HydrophobicContact CG-CG2 4.41Å; P362-V364 PolarHBondContact O-N 2.86Å; P362-F459 HydrophobicContact CG-CD1 4.49Å; P362-K475 WeakPolarHBondContact CA-O 3.48Å; P362-F479 HydrophobicContact CB-CD2 3.73Å; P362-F479 HydrophobicContact CB-CE2 3.56Å; P362-F479 HydrophobicContact CG-CD2 3.93Å; P362-F479 HydrophobicContact CG-CE2 3.77Å; P362-N551 PolarHBondContact O-OD1 3.26Å
363	L	94.1	Very high	91.2	Very high	14 Å²	14	44 Å²	44	7%	0.073	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	113.9	-180	-176.3	63.8	0	0	0	110.4	A348 K352 F365 I478 F479 N551	A348-L363 HydrophobicContact CB-CD1 4.4Å; A348-L363 HydrophobicContact CB-CD2 4.41Å; K352-L363 HydrophobicContact CB-CD2 4.34Å; K352-L363 HydrophobicContact CD-CB 4.02Å; K352-L363 HydrophobicContact CD-CD2 4.09Å; L363-F365 HydrophobicContact CD1-CZ 4.39Å; L363-F365 HydrophobicContact CD2-CE2 3.67Å; L363-F365 HydrophobicContact CD2-CZ 3.76Å; L363-F365 HydrophobicContact CG-CD2 4.43Å; L363-F365 HydrophobicContact CG-CE2 3.73Å; L363-F365 HydrophobicContact CG-CZ 3.99Å; L363-I478 HydrophobicContact CB-CG1 4.49Å; L363-I478 CarbonylContact O-C 3.57Å; L363-I478 WeakPolarHBondContact O-CA 3.43Å; L363-F479 PolarHBondContact O-N 2.81Å; L363-N551 HydrophobicContact CD1-CB 4.04Å
364	V	95.5	Very high	91.5	Very high	1 Å²	1	42 Å²	42	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.7	-173.6	-174	0	0	0	0	111.3	P362 F459 F479 M481 I550 N551 E552	P362-V364 HydrophobicContact CG-CG2 4.41Å; P362-V364 PolarHBondContact O-N 2.86Å; V364-F459 HydrophobicContact CG1-CD1 4.46Å; V364-F459 HydrophobicContact CG1-CD2 4.1Å; V364-F459 HydrophobicContact CG1-CE1 4.24Å; V364-F459 HydrophobicContact CG1-CE2 3.85Å; V364-F459 HydrophobicContact CG1-CG 4.41Å; V364-F459 HydrophobicContact CG1-CZ 3.94Å; V364-F459 HydrophobicContact CG2-CB 4.13Å; V364-F459 HydrophobicContact CG2-CD1 3.5Å; V364-F459 VanDerWaalsContact CG2-CD1 3.5Å; V364-F459 HydrophobicContact CG2-CD2 4.19Å; V364-F459 HydrophobicContact CG2-CE1 3.91Å; V364-F459 HydrophobicContact CG2-CG 3.68Å; V364-F459 HydrophobicContact CG2-CZ 4.41Å; V364-F479 CarbonylContact C-O 3.11Å; V364-F479 WeakPolarHBondContact CA-O 3.29Å; V364-F479 HydrophobicContact CG2-CB 4.31Å; V364-F479 HydrophobicContact CG2-CD2 4.42Å; V364-M481 HydrophobicContact CG1-CE 3.69Å; V364-I550 HydrophobicContact CG1-CG1 4.23Å; V364-N551 PolarHBondContact N-OD1 2.79Å; V364-N551 PolarHBondContact O-N 2.72Å; V364-E552 PolarHBondContact O-N 3.32Å
365	F	97.1	Very high	91.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	144.8	174.3	-62.8	-82.5	0	0	0	112	V345 A348 L363 F367 I478 F479 I480 M481 E552 V554	V345-F365 HydrophobicContact CB-CE1 4.46Å; V345-F365 HydrophobicContact CG1-CZ 4.26Å; V345-F365 HydrophobicContact CG2-CD1 4.25Å; V345-F365 HydrophobicContact CG2-CE1 4.12Å; A348-F365 HydrophobicContact CB-CE1 3.63Å; A348-F365 HydrophobicContact CB-CZ 3.56Å; L363-F365 HydrophobicContact CD1-CZ 4.39Å; L363-F365 HydrophobicContact CD2-CE2 3.67Å; L363-F365 HydrophobicContact CD2-CZ 3.76Å; L363-F365 HydrophobicContact CG-CD2 4.43Å; L363-F365 HydrophobicContact CG-CE2 3.73Å; L363-F365 HydrophobicContact CG-CZ 3.99Å; F365-F367 HydrophobicContact CB-CD1 4Å; F365-F367 HydrophobicContact CB-CE1 3.66Å; F365-F367 HydrophobicContact CD1-CE1 4.4Å; F365-F367 HydrophobicContact CG-CE1 4.1Å; F365-I478 HydrophobicContact CD2-CG2 3.86Å; F365-I478 HydrophobicContact CE2-CG2 3.66Å; F365-F479 PolarHBondContact N-O 2.94Å; F365-I480 HydrophobicContact CB-CG1 4.39Å; F365-I480 HydrophobicContact CD2-CG1 4.02Å; F365-M481 PolarHBondContact O-N 3.33Å; F365-E552 WeakPolarHBondContact CA-O 3.43Å; F365-E552 HydrophobicContact CD1-CB 3.83Å; F365-E552 HydrophobicContact CE1-CB 4.03Å; F365-E552 HydrophobicContact CE1-CG 4.34Å; F365-V554 HydrophobicContact CD1-CG2 3.88Å
366	L	96.5	Very high	92.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	114.4	166	177.8	63.1	0	0	0	110.5	L368 V444 M481 L537 F541 I550 E552 I553 V554	L366-L368 HydrophobicContact CD1-CD2 4.19Å; L366-L368 HydrophobicContact CD2-CD2 4.05Å; L366-L368 HydrophobicContact CD2-CG 4.45Å; L366-L368 HydrophobicContact CG-CD2 3.89Å; L366-L368 HydrophobicContact CG-CG 4.2Å; L366-V444 HydrophobicContact CD1-CG1 4.34Å; L366-M481 HydrophobicContact CB-CE 4.44Å; L366-M481 HydrophobicContact CD1-CB 3.88Å; L366-L537 HydrophobicContact CD2-CD1 4.45Å; L366-L537 HydrophobicContact CD2-CD2 4.31Å; L366-F541 HydrophobicContact CD2-CE2 4.44Å; L366-I550 HydrophobicContact CB-CD1 4.04Å; L366-I550 HydrophobicContact CB-CG2 3.92Å; L366-I550 HydrophobicContact CD2-CD1 3.91Å; L366-E552 PolarHBondContact N-O 3.29Å; L366-E552 VanDerWaalsContact N-O 3.11Å; L366-I553 HydrophobicContact CB-CG1 4.43Å; L366-V554 PolarHBondContact O-N 2.92Å
367	F	97.6	Very high	92.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	112.5	-179.7	-70.9	8.7	0	0	0	110.2	V345 F365 K375 L378 A379 I480 M481 T482 S483 V554 F556	V345-F367 HydrophobicContact CG2-CE1 3.73Å; V345-F367 HydrophobicContact CG2-CZ 3.79Å; F365-F367 HydrophobicContact CB-CD1 4Å; F365-F367 HydrophobicContact CB-CE1 3.66Å; F365-F367 HydrophobicContact CD1-CE1 4.4Å; F365-F367 HydrophobicContact CG-CE1 4.1Å; F367-K375 HydrophobicContact CB-CB 4.23Å; F367-K375 HydrophobicContact CB-CD 4.18Å; F367-K375 HydrophobicContact CB-CG 4.13Å; F367-K375 HydrophobicContact CD2-CB 4.11Å; F367-K375 WeakPolarHBondContact CD2-O 3.36Å; F367-L378 HydrophobicContact CE2-CB 4.11Å; F367-L378 HydrophobicContact CE2-CD2 3.94Å; F367-L378 HydrophobicContact CE2-CG 4.13Å; F367-L378 HydrophobicContact CZ-CD2 3.86Å; F367-L378 HydrophobicContact CZ-CG 4.24Å; F367-A379 HydrophobicContact CE2-CB 4.49Å; F367-I480 HydrophobicContact CD1-CG2 3.95Å; F367-I480 HydrophobicContact CD2-CG2 3.56Å; F367-I480 HydrophobicContact CE1-CG2 3.84Å; F367-I480 HydrophobicContact CE2-CD1 4.44Å; F367-I480 HydrophobicContact CE2-CG2 3.44Å; F367-I480 VanDerWaalsContact CE2-CG2 3.44Å; F367-I480 HydrophobicContact CG-CG2 3.84Å; F367-I480 HydrophobicContact CZ-CD1 4.1Å; F367-I480 HydrophobicContact CZ-CG1 4.38Å; F367-I480 HydrophobicContact CZ-CG2 3.58Å; F367-M481 WeakPolarHBondContact CB-O 3.41Å; F367-M481 PolarHBondContact N-O 3.25Å; F367-T482 HydrophobicContact CB-CG2 4.48Å; F367-S483 PolarHBondContact O-N 2.99Å; F367-V554 WeakPolarHBondContact CA-O 3.45Å; F367-V554 HydrophobicContact CD1-CB 3.63Å; F367-V554 HydrophobicContact CD1-CG1 4.26Å; F367-V554 HydrophobicContact CD1-CG2 3.82Å; F367-V554 HydrophobicContact CE1-CB 3.94Å; F367-V554 HydrophobicContact CE1-CG1 4.3Å; F367-V554 HydrophobicContact CE1-CG2 3.73Å; F367-F556 HydrophobicContact CB-CD2 4.3Å; F367-F556 HydrophobicContact CB-CE2 3.69Å; F367-F556 HydrophobicContact CD1-CE2 4.13Å; F367-F556 AromaticContact CD2-CE2 3.63Å; F367-F556 HydrophobicContact CD2-CE2 3.63Å; F367-F556 AromaticContact CD2-CZ 3.66Å; F367-F556 HydrophobicContact CD2-CZ 3.66Å; F367-F556 HydrophobicContact CE2-CE2 4.25Å; F367-F556 AromaticContact CE2-CZ 3.94Å; F367-F556 HydrophobicContact CE2-CZ 3.94Å; F367-F556 AromaticContact CG-CE2 3.55Å; F367-F556 HydrophobicContact CG-CE2 3.55Å; F367-F556 HydrophobicContact CG-CZ 4.08Å
368	L	95.4	Very high	92.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	146.1	179.7	-58.9	-179.6	0	0	0	111.6	L366 I490 I533 L537 I553 V554 Y555 F556	L366-L368 HydrophobicContact CD1-CD2 4.19Å; L366-L368 HydrophobicContact CD2-CD2 4.05Å; L366-L368 HydrophobicContact CD2-CG 4.45Å; L366-L368 HydrophobicContact CG-CD2 3.89Å; L366-L368 HydrophobicContact CG-CG 4.2Å; L368-I490 HydrophobicContact CB-CD1 3.82Å; L368-I533 HydrophobicContact CD1-CG2 3.96Å; L368-L537 HydrophobicContact CD1-CD1 4.12Å; L368-L537 HydrophobicContact CD1-CD2 4.04Å; L368-L537 HydrophobicContact CD2-CD2 4.09Å; L368-I553 HydrophobicContact CD1-CG2 3.55Å; L368-I553 HydrophobicContact CG-CG2 4.02Å; L368-V554 PolarHBondContact N-O 2.9Å; L368-Y555 HydrophobicContact CD1-CE1 4.08Å; L368-F556 WeakPolarHBondContact O-CB 3.46Å; L368-F556 PolarHBondContact O-N 3.07Å
369	G	93.4	Very high	93.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	144.7	178.7	176.7	0	0	0	0	0	112.6	K375 S487	G369-K375 PolarHBondContact O-NZ 3.31Å; G369-S487 VanDerWaalsContact C-CB 3.5Å
370	S	91.4	Very high	93.5	Very high	7 Å²	7	20.5 Å²	20.5	5%	0.049	11%	0.112	C	C	.	.			trans	-60.2	163.2	-178.2	-55.7	0	0	0	0	114.2	I373 L603	S370-I373 VanDerWaalsContact O-CG2 3.25Å; S370-I373 WeakPolarHBondContact O-CG2 3.32Å; S370-L603 WeakPolarHBondContact CB-O 3.21Å; S370-L603 PolarHBondContact OG-O 3.4Å; S370-L603 VanDerWaalsContact OG-O 3.08Å
371	S	90.1	Very high	93.9	Very high	23 Å²	23	15.9 Å²	15.9	16%	0.161	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	148.1	169.1	-163	0	0	0	0	110.2	I373 H604 Y605 G606 R608	S371-I373 PolarHBondContact O-N 2.85Å; S371-I373 VanDerWaalsContact O-N 3.14Å; S371-H604 PolarHBondContact N-O 3.4Å; S371-Y605 CarbonylContact O-C 3.58Å; S371-G606 WeakPolarHBondContact O-CA 3.41Å; S371-G606 PolarHBondContact O-N 3.34Å; S371-R608 PolarHBondContact OG-NH1 2.92Å
372	G	88.4	Confident	94.1	Very high	20 Å²	20	13.3 Å²	13.3	21%	0.206	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	6.3	177.2	0	0	0	0	0	116.7	G374 A607	G372-G374 VanDerWaalsContact C-N 3.34Å; G372-G374 PolarHBondContact O-N 3.48Å; G372-A607 VanDerWaalsContact O-CB 3.23Å; G372-A607 WeakPolarHBondContact O-CB 3.39Å; G372-A607 PolarHBondContact O-N 3.12Å
373	I	92.4	Very high	94.2	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.01	8%	0.08	C	C	.	.	S	Bend	trans	-79.5	-9.9	-178.5	-155.2	73.5	0	0	0	114.7	S370 S371 K375 F556 L557 F559	S370-I373 VanDerWaalsContact O-CG2 3.25Å; S370-I373 WeakPolarHBondContact O-CG2 3.32Å; S371-I373 PolarHBondContact O-N 2.85Å; S371-I373 VanDerWaalsContact O-N 3.14Å; I373-K375 HydrophobicContact CG2-CD 4.36Å; I373-K375 HydrophobicContact CG2-CG 3.88Å; I373-F556 HydrophobicContact CG1-CB 4.27Å; I373-F556 HydrophobicContact CG2-CB 3.51Å; I373-F556 HydrophobicContact CG2-CD1 4.08Å; I373-F556 HydrophobicContact CG2-CG 4.02Å; I373-L557 VanDerWaalsContact CD1-O 3.24Å; I373-L557 WeakPolarHBondContact CD1-O 3.31Å; I373-L557 VanDerWaalsContact CG1-O 3.24Å; I373-L557 WeakPolarHBondContact CG1-O 3.48Å; I373-F559 HydrophobicContact CD1-CD2 3.61Å; I373-F559 HydrophobicContact CD1-CE2 3.52Å; I373-F559 HydrophobicContact CD1-CG 4.25Å; I373-F559 HydrophobicContact CD1-CZ 4.11Å; I373-F559 HydrophobicContact CG1-CE2 4.22Å; I373-F559 HydrophobicContact CG1-CZ 4.39Å; I373-F559 VanDerWaalsContact O-CZ 3.31Å; I373-F559 WeakPolarHBondContact O-CZ 3.48Å
374	G	92.8	Very high	94.1	Very high	23 Å²	23	17.9 Å²	17.9	24%	0.237	10%	0.096	C	C	.	.	S	Bend	trans	116.2	0.7	175.8	0	0	0	0	0	116.6	G372 T376 E377 L378	G372-G374 VanDerWaalsContact C-N 3.34Å; G372-G374 PolarHBondContact O-N 3.48Å; G374-T376 PolarHBondContact O-N 3.2Å; G374-E377 WeakPolarHBondContact O-CA 3.25Å; G374-E377 WeakPolarHBondContact O-CB 3.08Å; G374-E377 PolarHBondContact O-N 2.8Å; G374-L378 PolarHBondContact O-N 3.01Å
375	K	94.9	Very high	93.8	Very high	9 Å²	9	20 Å²	20	4%	0.039	10%	0.104	C	C	.	.	H	α-helix	trans	-44.7	-58.3	177.4	-62.6	-178.8	-63.5	-168.4	0	113.4	F367 G369 I373 E377 L378 A379 T482 S483 N484 F556	F367-K375 HydrophobicContact CB-CB 4.23Å; F367-K375 HydrophobicContact CB-CD 4.18Å; F367-K375 HydrophobicContact CB-CG 4.13Å; F367-K375 HydrophobicContact CD2-CB 4.11Å; F367-K375 WeakPolarHBondContact CD2-O 3.36Å; G369-K375 PolarHBondContact O-NZ 3.31Å; I373-K375 HydrophobicContact CG2-CD 4.36Å; I373-K375 HydrophobicContact CG2-CG 3.88Å; K375-E377 PolarHBondContact O-N 3.27Å; K375-L378 PolarHBondContact O-N 3.04Å; K375-A379 PolarHBondContact O-N 2.9Å; K375-T482 HydrophobicContact CB-CG2 4.04Å; K375-S483 PolarHBondContact NZ-O 3.19Å; K375-N484 PolarHBondContact NZ-OD1 2.72Å; K375-F556 HydrophobicContact CB-CE2 4.46Å; K375-F556 HydrophobicContact CB-CZ 4.37Å; K375-F556 HydrophobicContact CD-CD2 4.37Å; K375-F556 HydrophobicContact CG-CB 4.44Å; K375-F556 HydrophobicContact CG-CD1 4.09Å; K375-F556 HydrophobicContact CG-CD2 3.69Å; K375-F556 HydrophobicContact CG-CE1 4.23Å; K375-F556 HydrophobicContact CG-CE2 3.87Å; K375-F556 HydrophobicContact CG-CG 3.81Å; K375-F556 HydrophobicContact CG-CZ 4.11Å
376	T	94.5	Very high	93.4	Very high	32 Å²	32	23 Å²	23	20%	0.196	12%	0.119	C	C	.	.	H	α-helix	trans	-61.4	-28.7	177.4	-41.8	0	0	0	0	112.7	G374 K380 L440 D442	G374-T376 PolarHBondContact O-N 3.2Å; T376-K380 WeakPolarHBondContact O-CG 2.79Å; T376-K380 PolarHBondContact O-N 3.26Å; T376-L440 HydrophobicContact CG2-CD2 3.61Å; T376-D442 PolarHBondContact OG1-OD1 3.12Å
377	E	93.8	Very high	93.1	Very high	65 Å²	65	24 Å²	24	30%	0.304	12%	0.123	S	C	.	.	H	α-helix	trans	-80.6	-40.1	-178	-162.8	58.6	-152.1	0	0	111.4	G374 K375 A379 K380 Q381	G374-E377 WeakPolarHBondContact O-CA 3.25Å; G374-E377 WeakPolarHBondContact O-CB 3.08Å; G374-E377 PolarHBondContact O-N 2.8Å; K375-E377 PolarHBondContact O-N 3.27Å; E377-A379 VanDerWaalsContact C-N 3.29Å; E377-A379 PolarHBondContact O-N 3.03Å; E377-K380 PolarHBondContact O-N 2.84Å; E377-K380 VanDerWaalsContact O-N 3.15Å; E377-K380 WeakPolarHBondContact OE2-CD 3.21Å; E377-K380 IonicContact OE2-NZ 3.01Å; E377-K380 PolarHBondContact OE2-NZ 3.42Å; E377-Q381 WeakPolarHBondContact O-CG 3.1Å; E377-Q381 PolarHBondContact O-N 2.97Å; E377-Q381 PolarHBondContact OE1-NE2 3.44Å
378	L	95.9	Very high	92.5	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-56.5	-44.9	171.2	-179	60.9	0	0	0	111.2	L331 I335 A341 I342 V345 F367 G374 K375 K380 Q381 V382 F556	L331-L378 HydrophobicContact CD1-CD1 4.09Å; L331-L378 HydrophobicContact CD2-CD1 4.28Å; I335-L378 HydrophobicContact CD1-CB 3.96Å; I335-L378 HydrophobicContact CD1-CD1 3.38Å; I335-L378 HydrophobicContact CD1-CG 4.27Å; A341-L378 HydrophobicContact CB-CD2 4.44Å; I342-L378 HydrophobicContact CG1-CD1 4.24Å; V345-L378 HydrophobicContact CB-CD2 4.41Å; V345-L378 HydrophobicContact CG2-CD2 3.91Å; F367-L378 HydrophobicContact CE2-CB 4.11Å; F367-L378 HydrophobicContact CE2-CD2 3.94Å; F367-L378 HydrophobicContact CE2-CG 4.13Å; F367-L378 HydrophobicContact CZ-CD2 3.86Å; F367-L378 HydrophobicContact CZ-CG 4.24Å; G374-L378 PolarHBondContact O-N 3.01Å; K375-L378 PolarHBondContact O-N 3.04Å; L378-K380 VanDerWaalsContact C-N 3.34Å; L378-K380 PolarHBondContact O-N 3.34Å; L378-Q381 PolarHBondContact O-N 3.45Å; L378-V382 HydrophobicContact CD1-CG2 4.34Å; L378-V382 WeakPolarHBondContact O-CG2 3.12Å; L378-V382 PolarHBondContact O-N 3.09Å; L378-F556 HydrophobicContact CB-CE1 4.34Å; L378-F556 HydrophobicContact CB-CZ 4.18Å; L378-F556 HydrophobicContact CD2-CE1 4.17Å; L378-F556 HydrophobicContact CD2-CZ 3.61Å
379	A	95.8	Very high	91.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.4	-41.9	176.2	0	0	0	0	0	113.1	F367 K375 E377 A383 F394 L440 I480	F367-A379 HydrophobicContact CE2-CB 4.49Å; K375-A379 PolarHBondContact O-N 2.9Å; E377-A379 VanDerWaalsContact C-N 3.29Å; E377-A379 PolarHBondContact O-N 3.03Å; A379-A383 PolarHBondContact O-N 2.79Å; A379-A383 VanDerWaalsContact O-N 3.08Å; A379-F394 HydrophobicContact CB-CE2 4.3Å; A379-L440 HydrophobicContact CB-CD1 3.68Å; A379-L440 HydrophobicContact CB-CD2 4.12Å; A379-L440 HydrophobicContact CB-CG 4.35Å; A379-I480 HydrophobicContact CB-CD1 3.69Å; A379-I480 HydrophobicContact CB-CG2 4.22Å
380	K	94.9	Very high	91.5	Very high	66 Å²	66	42.2 Å²	42.2	29%	0.287	21%	0.212	S	C	.	.	H	α-helix	trans	-64.5	-45.5	174.9	-69.9	175.3	-150	156.6	0	112.1	T376 E377 L378 V382 A383 R384 F394	T376-K380 WeakPolarHBondContact O-CG 2.79Å; T376-K380 PolarHBondContact O-N 3.26Å; E377-K380 PolarHBondContact O-N 2.84Å; E377-K380 VanDerWaalsContact O-N 3.15Å; E377-K380 WeakPolarHBondContact OE2-CD 3.21Å; E377-K380 IonicContact OE2-NZ 3.01Å; E377-K380 PolarHBondContact OE2-NZ 3.42Å; L378-K380 VanDerWaalsContact C-N 3.34Å; L378-K380 PolarHBondContact O-N 3.34Å; K380-V382 VanDerWaalsContact C-N 3.33Å; K380-V382 PolarHBondContact O-N 2.82Å; K380-A383 PolarHBondContact O-N 2.9Å; K380-R384 WeakPolarHBondContact O-CG 3.15Å; K380-R384 PolarHBondContact O-N 3.37Å; K380-F394 HydrophobicContact CG-CD1 4.44Å; K380-F394 HydrophobicContact CG-CE1 3.81Å; K380-F394 HydrophobicContact CG-CE2 4.1Å; K380-F394 HydrophobicContact CG-CZ 3.61Å
381	Q	94.8	Very high	91.1	Very high	12 Å²	12	51.3 Å²	51.3	6%	0.056	25%	0.251	C	S	.	.	H	α-helix	trans	-66.9	-36.1	-178.5	-57.6	-47.7	-34.4	0	0	111.7	L331 H334 I335 E377 L378 R384 Y385	L331-Q381 HydrophobicContact CD2-CB 3.58Å; H334-Q381 HydrophobicContact CB-CG 3.94Å; I335-Q381 HydrophobicContact CD1-CB 4.28Å; I335-Q381 HydrophobicContact CD1-CG 4.08Å; I335-Q381 HydrophobicContact CG1-CG 4.1Å; E377-Q381 WeakPolarHBondContact O-CG 3.1Å; E377-Q381 PolarHBondContact O-N 2.97Å; E377-Q381 PolarHBondContact OE1-NE2 3.44Å; L378-Q381 PolarHBondContact O-N 3.45Å; Q381-R384 PolarHBondContact O-N 2.87Å; Q381-Y385 PolarHBondContact O-N 3.29Å
382	V	94.1	Very high	90.9	Very high	1 Å²	1	57 Å²	57	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-58.5	-47.3	169.6	167.3	0	0	0	0	111.2	L331 V345 I349 L378 K380 R384 Y385 M386 V438	L331-V382 HydrophobicContact CD2-CG2 4.38Å; V345-V382 HydrophobicContact CG1-CG2 3.79Å; I349-V382 HydrophobicContact CD1-CB 4.43Å; I349-V382 HydrophobicContact CD1-CG1 3.58Å; I349-V382 HydrophobicContact CD1-CG2 3.97Å; L378-V382 HydrophobicContact CD1-CG2 4.34Å; L378-V382 WeakPolarHBondContact O-CG2 3.12Å; L378-V382 PolarHBondContact O-N 3.09Å; K380-V382 VanDerWaalsContact C-N 3.33Å; K380-V382 PolarHBondContact O-N 2.82Å; V382-R384 PolarHBondContact O-N 3.49Å; V382-Y385 PolarHBondContact O-N 3.47Å; V382-M386 HydrophobicContact CG1-CG 4.44Å; V382-M386 WeakPolarHBondContact O-CG 3.35Å; V382-M386 PolarHBondContact O-N 3Å; V382-V438 HydrophobicContact CG1-CG1 4.49Å; V382-V438 HydrophobicContact CG1-CG2 4.23Å
383	A	94.3	Very high	91	Very high	5 Å²	5	56.1 Å²	56.1	4%	0.041	26%	0.263	C	S	.	.	H	α-helix	trans	-64.5	-38.3	178.5	0	0	0	0	0	113.3	A379 K380 M386 H387 F394 V438	A379-A383 PolarHBondContact O-N 2.79Å; A379-A383 VanDerWaalsContact O-N 3.08Å; K380-A383 PolarHBondContact O-N 2.9Å; A383-M386 PolarHBondContact O-N 3.3Å; A383-H387 WeakPolarHBondContact O-CB 3.38Å; A383-H387 PolarHBondContact O-CD2 2.94Å; A383-H387 PolarHBondContact O-N 3.35Å; A383-F394 HydrophobicContact CB-CB 3.74Å; A383-F394 HydrophobicContact CB-CD2 3.6Å; A383-F394 HydrophobicContact CB-CG 4.05Å; A383-V438 HydrophobicContact CB-CB 3.73Å; A383-V438 HydrophobicContact CB-CG1 4.21Å; A383-V438 HydrophobicContact CB-CG2 3.88Å
384	R	92.2	Very high	91.1	Very high	108 Å²	108	58.7 Å²	58.7	41%	0.408	28%	0.275	S	S	.	.	H	α-helix	trans	-63.3	-42.5	174.4	-70.2	-177.7	-178.3	168.8	-5.3	112.2	K380 Q381 V382 K388 D389	K380-R384 WeakPolarHBondContact O-CG 3.15Å; K380-R384 PolarHBondContact O-N 3.37Å; Q381-R384 PolarHBondContact O-N 2.87Å; V382-R384 PolarHBondContact O-N 3.49Å; R384-K388 WeakPolarHBondContact O-CA 3.35Å; R384-K388 PolarHBondContact O-N 3.45Å; R384-D389 VanDerWaalsContact CD-OD1 3.25Å; R384-D389 WeakPolarHBondContact CD-OD1 3.41Å; R384-D389 WeakPolarHBondContact CG-OD1 3.4Å; R384-D389 IonicContact NE-OD1 3.59Å; R384-D389 PolarHBondContact O-N 3.2Å
385	Y	90.2	Very high	91.3	Very high	44 Å²	44	58 Å²	58	17%	0.173	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-53	174.2	169.9	-94.1	0	0	0	111.4	L327 E353 Q381 V382 H387	L327-Y385 HydrophobicContact CD1-CD1 3.66Å; L327-Y385 HydrophobicContact CD1-CD2 3.62Å; L327-Y385 HydrophobicContact CD1-CE1 3.94Å; L327-Y385 HydrophobicContact CD1-CE2 3.88Å; L327-Y385 HydrophobicContact CD1-CG 3.5Å; L327-Y385 HydrophobicContact CD2-CD1 4.43Å; L327-Y385 HydrophobicContact CD2-CE1 4.21Å; E353-Y385 WeakPolarHBondContact OE1-CE1 3.3Å; E353-Y385 PolarHBondContact OE1-OH 2.96Å; E353-Y385 PolarHBondContact OE2-OH 3.48Å; Q381-Y385 PolarHBondContact O-N 3.29Å; V382-Y385 PolarHBondContact O-N 3.47Å; Y385-H387 VanDerWaalsContact C-N 3.33Å; Y385-H387 PolarHBondContact O-N 2.84Å
386	M	88.7	Confident	91.3	Very high	65 Å²	65	63.6 Å²	63.6	32%	0.32	29%	0.286	S	S	.	.	H	α-helix	trans	-62.7	-37	-177	-70.6	-59.2	-60.2	0	0	113.2	I349 V382 A383 V438 I478	I349-M386 HydrophobicContact CG2-SD 4.08Å; V382-M386 HydrophobicContact CG1-CG 4.44Å; V382-M386 WeakPolarHBondContact O-CG 3.35Å; V382-M386 PolarHBondContact O-N 3Å; A383-M386 PolarHBondContact O-N 3.3Å; M386-V438 HydrophobicContact CG-CG2 4.4Å; M386-I478 HydrophobicContact CG-CD1 4.39Å
387	H	88.9	Confident	91.3	Very high	19 Å²	19	62.2 Å²	62.2	9%	0.088	28%	0.278	C	S	.	.	H	α-helix	trans	-117.1	13.3	-169.9	-56.5	-65.6	0	0	0	114.9	A383 Y385 D389 I390 G393 N436	A383-H387 WeakPolarHBondContact O-CB 3.38Å; A383-H387 PolarHBondContact O-CD2 2.94Å; A383-H387 PolarHBondContact O-N 3.35Å; Y385-H387 VanDerWaalsContact C-N 3.33Å; Y385-H387 PolarHBondContact O-N 2.84Å; H387-D389 VanDerWaalsContact C-N 3.32Å; H387-D389 PolarHBondContact O-N 3.48Å; H387-I390 HydrophobicContact CB-CB 4.24Å; H387-I390 VanDerWaalsContact O-CB 3.3Å; H387-I390 WeakPolarHBondContact O-CB 3.37Å; H387-I390 WeakPolarHBondContact O-CD1 3.49Å; H387-I390 WeakPolarHBondContact O-CG1 3.35Å; H387-I390 PolarHBondContact O-N 3.46Å; H387-G393 VanDerWaalsContact CD2-CA 3.48Å; H387-G393 WeakPolarHBondContact CD2-CA 3.27Å; H387-G393 PolarHBondContact CD2-O 3.37Å; H387-G393 PolarHBondContact NE2-O 3.19Å; H387-N436 PolarHBondContact CE1-O 3.4Å; H387-N436 PolarHBondContact NE2-O 3.18Å
388	K	86.5	Confident	91.4	Very high	163 Å²	163	61.1 Å²	61.1	71%	0.709	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	52.6	176.8	-57.5	178.5	-176.5	176.1	0	112	R384 I390	R384-K388 WeakPolarHBondContact O-CA 3.35Å; R384-K388 PolarHBondContact O-N 3.45Å; K388-I390 VanDerWaalsContact C-N 3.27Å; K388-I390 PolarHBondContact O-N 3Å
389	D	81.2	Confident	91.3	Very high	114 Å²	114	61 Å²	61	61%	0.61	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	13	-177.1	-68.5	-56.8	0	0	0	117.7	R384 H387 K391	R384-D389 VanDerWaalsContact CD-OD1 3.25Å; R384-D389 WeakPolarHBondContact CD-OD1 3.41Å; R384-D389 WeakPolarHBondContact CG-OD1 3.4Å; R384-D389 IonicContact NE-OD1 3.59Å; R384-D389 PolarHBondContact O-N 3.2Å; H387-D389 VanDerWaalsContact C-N 3.32Å; H387-D389 PolarHBondContact O-N 3.48Å; D389-K391 PolarHBondContact O-N 2.93Å
390	I	85.6	Confident	91.2	Very high	106 Å²	106	62.7 Å²	62.7	54%	0.544	29%	0.285	S	S	.	.			trans	-65.1	108.9	172.3	-63.7	165.7	0	0	0	110.1	H387 K388 K392 G393	H387-I390 HydrophobicContact CB-CB 4.24Å; H387-I390 VanDerWaalsContact O-CB 3.3Å; H387-I390 WeakPolarHBondContact O-CB 3.37Å; H387-I390 WeakPolarHBondContact O-CD1 3.49Å; H387-I390 WeakPolarHBondContact O-CG1 3.35Å; H387-I390 PolarHBondContact O-N 3.46Å; K388-I390 VanDerWaalsContact C-N 3.27Å; K388-I390 PolarHBondContact O-N 3Å; I390-K392 HydrophobicContact CG2-CB 4.21Å; I390-K392 PolarHBondContact O-N 3.4Å; I390-G393 PolarHBondContact O-N 2.99Å
391	K	83.4	Confident	91	Very high	198 Å²	198	64.6 Å²	64.6	86%	0.861	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-51.7	-29.6	-178.2	-66.6	-175.7	179.9	179.4	0	115.1	D389 G393	D389-K391 PolarHBondContact O-N 2.93Å; K391-G393 VanDerWaalsContact C-N 3.3Å
392	K	85.8	Confident	91	Very high	143 Å²	143	64 Å²	64	62%	0.622	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-73.1	-19.5	179.1	-63	-176.1	178.4	-180	0	113.7	I390 F394 C434	I390-K392 HydrophobicContact CG2-CB 4.21Å; I390-K392 PolarHBondContact O-N 3.4Å; K392-F394 VanDerWaalsContact C-N 3.28Å; K392-F394 PolarHBondContact O-N 3.13Å; K392-C434 VanDerWaalsContact CB-SG 3.53Å
393	G	89.9	Confident	91	Very high	1 Å²	1	69 Å²	69	1%	0.01	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-79.8	-5	178.6	0	0	0	0	0	114.5	H387 I390 K391 V438	H387-G393 VanDerWaalsContact CD2-CA 3.48Å; H387-G393 WeakPolarHBondContact CD2-CA 3.27Å; H387-G393 PolarHBondContact CD2-O 3.37Å; H387-G393 PolarHBondContact NE2-O 3.19Å; I390-G393 PolarHBondContact O-N 2.99Å; K391-G393 VanDerWaalsContact C-N 3.3Å; G393-V438 PolarHBondContact O-N 3.3Å
394	F	95.9	Very high	90.8	Very high	56 Å²	56	74 Å²	74	25%	0.246	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.3	171.4	-178.3	-112	0	0	0	110.1	A379 K380 A383 K392 R396 L440	A379-F394 HydrophobicContact CB-CE2 4.3Å; K380-F394 HydrophobicContact CG-CD1 4.44Å; K380-F394 HydrophobicContact CG-CE1 3.81Å; K380-F394 HydrophobicContact CG-CE2 4.1Å; K380-F394 HydrophobicContact CG-CZ 3.61Å; A383-F394 HydrophobicContact CB-CB 3.74Å; A383-F394 HydrophobicContact CB-CD2 3.6Å; A383-F394 HydrophobicContact CB-CG 4.05Å; K392-F394 VanDerWaalsContact C-N 3.28Å; K392-F394 PolarHBondContact O-N 3.13Å; F394-R396 HydrophobicContact CE1-CB 3.91Å; F394-R396 HydrophobicContact CZ-CB 4.13Å; F394-L440 HydrophobicContact CE2-CB 3.96Å; F394-L440 HydrophobicContact CE2-CD2 4.32Å; F394-L440 HydrophobicContact CZ-CB 4.09Å; F394-L440 HydrophobicContact CZ-CD2 3.86Å
395	I	95.8	Very high	90.6	Very high	8 Å²	8	75.4 Å²	75.4	4%	0.041	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.4	175.7	-65.8	166.8	0	0	0	107	M397 L427 L430 L431 A437 V438 V439 L440	I395-M397 HydrophobicContact CG2-CG 4.14Å; I395-L427 HydrophobicContact CG2-CD1 4.4Å; I395-L430 HydrophobicContact CD1-CB 3.62Å; I395-L430 HydrophobicContact CG1-CB 4Å; I395-L430 HydrophobicContact CG2-CB 4.41Å; I395-L430 HydrophobicContact CG2-CD1 3.87Å; I395-L431 HydrophobicContact CD1-CD2 4.04Å; I395-L431 HydrophobicContact CD1-CG 4.26Å; I395-A437 HydrophobicContact CD1-CB 3.72Å; I395-A437 HydrophobicContact CG1-CB 4.25Å; I395-V438 PolarHBondContact N-O 3.39Å; I395-V439 HydrophobicContact CB-CG1 4.49Å; I395-V439 HydrophobicContact CB-CG2 4.2Å; I395-V439 HydrophobicContact CD1-CG2 4.11Å; I395-V439 HydrophobicContact CG2-CG1 4.16Å; I395-V439 CarbonylContact O-C 3.56Å; I395-V439 WeakPolarHBondContact O-CA 3.31Å; I395-L440 PolarHBondContact O-N 2.92Å
396	R	95.6	Very high	90.4	Very high	127 Å²	127	79.7 Å²	79.7	48%	0.479	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.9	171.2	-178.6	174.1	-179.6	-113.9	-5.8	109.1	F394 D398 L440 D442	F394-R396 HydrophobicContact CE1-CB 3.91Å; F394-R396 HydrophobicContact CZ-CB 4.13Å; R396-D398 IonicContact NH2-OD2 2.75Å; R396-L440 HydrophobicContact CG-CD2 4.23Å; R396-D442 IonicContact CZ-OD2 3.19Å; R396-D442 IonicContact NE-OD2 3.41Å; R396-D442 PolarHBondContact NE-OD2 2.93Å; R396-D442 IonicContact NH2-OD2 2.81Å; R396-D442 PolarHBondContact NH2-OD2 3.48Å
397	M	94.9	Very high	90.4	Very high	3 Å²	3	78.4 Å²	78.4	2%	0.015	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124.8	175.1	-62.4	-70.5	-69.1	0	0	107.1	I395 M399 F402 F411 Q426 L430 L440 F441 D442	I395-M397 HydrophobicContact CG2-CG 4.14Å; M397-M399 HydrophobicContact CB-CE 3.48Å; M397-M399 VanDerWaalsContact CB-CE 3.48Å; M397-F402 HydrophobicContact CE-CE2 3.93Å; M397-F402 HydrophobicContact CE-CZ 3.63Å; M397-F411 HydrophobicContact CE-CD2 3.89Å; M397-F411 HydrophobicContact CE-CE2 4.12Å; M397-Q426 HydrophobicContact CE-CB 4.11Å; M397-Q426 HydrophobicContact CE-CG 3.86Å; M397-Q426 HydrophobicContact SD-CG 3.93Å; M397-L430 HydrophobicContact SD-CD1 4.49Å; M397-L440 PolarHBondContact N-O 3.33Å; M397-F441 HydrophobicContact CB-CD1 3.95Å; M397-F441 HydrophobicContact CB-CE1 4.33Å; M397-F441 HydrophobicContact CG-CD1 4.38Å; M397-F441 HydrophobicContact CG-CE1 4.29Å; M397-D442 PolarHBondContact O-N 3.16Å
398	D	95	Very high	90.3	Very high	42 Å²	42	78.1 Å²	78.1	23%	0.225	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	116.8	177.2	-160.9	-43.5	0	0	0	108.8	R396 S400 E401 F402	R396-D398 IonicContact NH2-OD2 2.75Å; D398-S400 PolarHBondContact O-N 2.9Å; D398-S400 WeakPolarHBondContact OD1-CB 3.43Å; D398-S400 PolarHBondContact OD1-N 3.21Å; D398-S400 VanDerWaalsContact OD1-N 3.1Å; D398-E401 HydrophobicContact CB-CG 4.29Å; D398-E401 WeakPolarHBondContact O-CB 3.46Å; D398-E401 PolarHBondContact O-N 3.34Å; D398-F402 VanDerWaalsContact O-CD2 3.3Å; D398-F402 WeakPolarHBondContact O-CD2 3.29Å; D398-F402 WeakPolarHBondContact O-CE2 3.33Å
399	M	94.8	Very high	90.4	Very high	0 Å²	0	72 Å²	72	0%	0	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-75.6	-13.3	-175.8	-61	-65.5	90.5	0	0	112.9	M397 E401 F402 F411 F441 D442 V444 A447 V451 M455	M397-M399 HydrophobicContact CB-CE 3.48Å; M397-M399 VanDerWaalsContact CB-CE 3.48Å; M399-E401 PolarHBondContact O-N 2.77Å; M399-F402 HydrophobicContact CE-CD2 3.77Å; M399-F402 HydrophobicContact CE-CE2 3.92Å; M399-F402 PolarHBondContact O-N 2.94Å; M399-F402 VanDerWaalsContact O-N 3.12Å; M399-F411 HydrophobicContact CE-CE2 4.21Å; M399-F441 HydrophobicContact CE-CD1 3.79Å; M399-F441 HydrophobicContact CG-CB 4.02Å; M399-F441 HydrophobicContact SD-CB 4.12Å; M399-F441 HydrophobicContact SD-CD1 3.96Å; M399-F441 HydrophobicContact SD-CG 4.36Å; M399-D442 WeakPolarHBondContact CB-O 3.38Å; M399-D442 VanDerWaalsContact CG-O 3.29Å; M399-D442 WeakPolarHBondContact CG-O 3.2Å; M399-D442 PolarHBondContact N-O 3.28Å; M399-V444 HydrophobicContact CG-CB 4.27Å; M399-V444 HydrophobicContact CG-CG2 4.34Å; M399-A447 HydrophobicContact CB-CB 4.13Å; M399-V451 HydrophobicContact SD-CG1 4.38Å; M399-M455 HydrophobicContact SD-CE 3.58Å; M399-M455 VanDerWaalsContact SD-CE 3.58Å
400	S	92.2	Very high	90.6	Very high	35 Å²	35	71.8 Å²	71.8	25%	0.245	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-67.8	-16.6	169.3	-66	0	0	0	0	112.8	D398 F402 Q403 E443	D398-S400 PolarHBondContact O-N 2.9Å; D398-S400 WeakPolarHBondContact OD1-CB 3.43Å; D398-S400 PolarHBondContact OD1-N 3.21Å; D398-S400 VanDerWaalsContact OD1-N 3.1Å; S400-F402 VanDerWaalsContact C-N 3.29Å; S400-Q403 PolarHBondContact O-NE2 3.28Å; S400-E443 PolarHBondContact OG-OE2 3.37Å
401	E	92.4	Very high	90.7	Very high	106 Å²	106	66.7 Å²	66.7	50%	0.495	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-82.1	0.3	170.9	-63.2	-177	-178.7	0	0	113.9	D398 M399 E407	D398-E401 HydrophobicContact CB-CG 4.29Å; D398-E401 WeakPolarHBondContact O-CB 3.46Å; D398-E401 PolarHBondContact O-N 3.34Å; M399-E401 PolarHBondContact O-N 2.77Å; E401-E407 VanDerWaalsContact O-CD 3.3Å
402	F	93.6	Very high	90.7	Very high	1 Å²	1	58.9 Å²	58.9	0%	0.004	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-128.8	36.9	-177.3	-56.7	-90.7	0	0	0	111.7	M397 D398 M399 S400 E407 K410 F411 H448 V451	M397-F402 HydrophobicContact CE-CE2 3.93Å; M397-F402 HydrophobicContact CE-CZ 3.63Å; D398-F402 VanDerWaalsContact O-CD2 3.3Å; D398-F402 WeakPolarHBondContact O-CD2 3.29Å; D398-F402 WeakPolarHBondContact O-CE2 3.33Å; M399-F402 HydrophobicContact CE-CD2 3.77Å; M399-F402 HydrophobicContact CE-CE2 3.92Å; M399-F402 PolarHBondContact O-N 2.94Å; M399-F402 VanDerWaalsContact O-N 3.12Å; S400-F402 VanDerWaalsContact C-N 3.29Å; F402-E407 WeakPolarHBondContact CD1-O 3.35Å; F402-K410 HydrophobicContact CE1-CB 4.13Å; F402-F411 HydrophobicContact CD1-CB 4.1Å; F402-F411 HydrophobicContact CD1-CD2 4.33Å; F402-F411 HydrophobicContact CE1-CB 3.75Å; F402-F411 AromaticContact CE1-CD2 3.98Å; F402-F411 HydrophobicContact CE1-CD2 3.98Å; F402-F411 HydrophobicContact CE1-CG 4.38Å; F402-F411 HydrophobicContact CE2-CD2 4.47Å; F402-F411 HydrophobicContact CZ-CD2 4.06Å; F402-H448 VanDerWaalsContact O-CB 3.3Å; F402-H448 WeakPolarHBondContact O-CB 3.36Å; F402-H448 PolarHBondContact O-N 2.81Å; F402-V451 HydrophobicContact CB-CG2 3.88Å
403	Q	93.3	Very high	90.8	Very high	106 Å²	106	52.5 Å²	52.5	50%	0.495	25%	0.25	S	S	.	.			trans	-72.2	-35.2	176.3	-79.2	174.6	75	0	0	111.7	S400 K446 H448	S400-Q403 PolarHBondContact O-NE2 3.28Å; Q403-K446 HydrophobicContact CG-CB 4.46Å; Q403-K446 VanDerWaalsContact CG-O 3.22Å; Q403-K446 WeakPolarHBondContact CG-O 3.48Å; Q403-H448 WeakPolarHBondContact O-CB 3.39Å
404	E	91.8	Very high	90.5	Very high	110 Å²	110	53.6 Å²	53.6	51%	0.514	26%	0.258	S	S	.	.	S	Bend	trans	-100	145.4	-174	-71.9	-66.1	164.6	0	0	113.2	H406 E407 V408	E404-H406 VanDerWaalsContact CB-CE1 3.45Å; E404-H406 WeakPolarHBondContact CB-CE1 3.4Å; E404-H406 PolarHBondContact O-N 2.68Å; E404-H406 VanDerWaalsContact O-N 3.1Å; E404-E407 HydrophobicContact CB-CG 4.02Å; E404-E407 PolarHBondContact N-OE2 3.3Å; E404-E407 WeakPolarHBondContact O-CB 3.37Å; E404-E407 PolarHBondContact O-N 2.79Å; E404-V408 PolarHBondContact O-N 2.97Å
405	K	87.8	Confident	89.8	Confident	136 Å²	136	54.1 Å²	54.1	59%	0.591	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-32.7	-175.9	-176.9	165.9	-175.3	157.8	0	114	E407 V408 D450	K405-E407 VanDerWaalsContact C-N 3.29Å; K405-V408 WeakPolarHBondContact O-CB 3.44Å; K405-D450 VanDerWaalsContact CE-OD2 3.25Å; K405-D450 WeakPolarHBondContact CE-OD2 3.41Å; K405-D450 IonicContact NZ-OD2 3.54Å; K405-D450 PolarHBondContact NZ-OD2 3.23Å
406	H	84.9	Confident	89.1	Confident	135 Å²	135	58 Å²	58	63%	0.625	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-16.7	179.3	66.7	-86.9	0	0	0	113	E404	E404-H406 VanDerWaalsContact CB-CE1 3.45Å; E404-H406 WeakPolarHBondContact CB-CE1 3.4Å; E404-H406 PolarHBondContact O-N 2.68Å; E404-H406 VanDerWaalsContact O-N 3.1Å
407	E	88.5	Confident	88.2	Confident	37 Å²	37	55.9 Å²	55.9	17%	0.173	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-26.6	177.5	-56	-170.7	111.4	0	0	112.2	E401 F402 E404 K405 A409 K410	E401-E407 VanDerWaalsContact O-CD 3.3Å; F402-E407 WeakPolarHBondContact CD1-O 3.35Å; E404-E407 HydrophobicContact CB-CG 4.02Å; E404-E407 PolarHBondContact N-OE2 3.3Å; E404-E407 WeakPolarHBondContact O-CB 3.37Å; E404-E407 PolarHBondContact O-N 2.79Å; K405-E407 VanDerWaalsContact C-N 3.29Å; E407-A409 PolarHBondContact O-N 3.31Å; E407-A409 VanDerWaalsContact O-N 3.11Å; E407-K410 HydrophobicContact CB-CD 4.37Å; E407-K410 VanDerWaalsContact O-CB 3.24Å; E407-K410 WeakPolarHBondContact O-CB 2.99Å; E407-K410 WeakPolarHBondContact O-CG 3.47Å; E407-K410 PolarHBondContact O-N 2.91Å; E407-K410 IonicContact OE1-NZ 3.95Å; E407-K410 PolarHBondContact OE1-NZ 2.84Å
408	V	88.2	Confident	87.6	Confident	14 Å²	14	63.6 Å²	63.6	9%	0.085	34%	0.341	C	S	.	.	H	α-helix	trans	-51.9	-33.5	171.5	-171.4	0	0	0	0	111.8	E404 K405 K410 F411 H448 D450 V451 I454	E404-V408 PolarHBondContact O-N 2.97Å; K405-V408 WeakPolarHBondContact O-CB 3.44Å; V408-K410 PolarHBondContact O-N 2.9Å; V408-F411 VanDerWaalsContact O-CB 3.24Å; V408-F411 WeakPolarHBondContact O-CB 3.37Å; V408-F411 PolarHBondContact O-N 3.46Å; V408-H448 HydrophobicContact CG2-CB 4.08Å; V408-D450 HydrophobicContact CG1-CB 4.18Å; V408-D450 HydrophobicContact CG2-CB 4.34Å; V408-V451 HydrophobicContact CB-CG2 4.39Å; V408-V451 HydrophobicContact CG1-CG2 4.08Å; V408-V451 HydrophobicContact CG2-CG2 3.77Å; V408-I454 HydrophobicContact CG1-CD1 3.63Å
409	A	87.1	Confident	86.8	Confident	35 Å²	35	68.5 Å²	68.5	29%	0.289	37%	0.372	S	S	.	.	H	α-helix	trans	-62.2	-26.6	174.8	0	0	0	0	0	113.5	E407 F411 G413 S414	E407-A409 PolarHBondContact O-N 3.31Å; E407-A409 VanDerWaalsContact O-N 3.11Å; A409-F411 VanDerWaalsContact C-N 3.28Å; A409-F411 PolarHBondContact O-N 3.06Å; A409-G413 CarbonylContact O-C 3.45Å; A409-G413 WeakPolarHBondContact O-CA 3.24Å; A409-G413 PolarHBondContact O-N 3.28Å; A409-S414 PolarHBondContact O-N 2.85Å
410	K	86.8	Confident	85.7	Confident	108 Å²	108	69.9 Å²	69.9	47%	0.47	39%	0.386	S	S	.	.	H	α-helix	trans	-69	-27.7	174.4	-54.3	168.3	-172.5	163.4	0	111.8	F402 E407 V408 Q426	F402-K410 HydrophobicContact CE1-CB 4.13Å; E407-K410 HydrophobicContact CB-CD 4.37Å; E407-K410 VanDerWaalsContact O-CB 3.24Å; E407-K410 WeakPolarHBondContact O-CB 2.99Å; E407-K410 WeakPolarHBondContact O-CG 3.47Å; E407-K410 PolarHBondContact O-N 2.91Å; E407-K410 IonicContact OE1-NZ 3.95Å; E407-K410 PolarHBondContact OE1-NZ 2.84Å; V408-K410 PolarHBondContact O-N 2.9Å; K410-Q426 WeakPolarHBondContact O-CB 3.27Å; K410-Q426 PolarHBondContact O-N 3.17Å
411	F	87.1	Confident	84.8	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-69.1	-53.2	-174.9	-166.9	-98.6	0	0	0	112	M397 M399 F402 V408 A409 G425 Q426 L427 F441 V451 I454 M455	M397-F411 HydrophobicContact CE-CD2 3.89Å; M397-F411 HydrophobicContact CE-CE2 4.12Å; M399-F411 HydrophobicContact CE-CE2 4.21Å; F402-F411 HydrophobicContact CD1-CB 4.1Å; F402-F411 HydrophobicContact CD1-CD2 4.33Å; F402-F411 HydrophobicContact CE1-CB 3.75Å; F402-F411 AromaticContact CE1-CD2 3.98Å; F402-F411 HydrophobicContact CE1-CD2 3.98Å; F402-F411 HydrophobicContact CE1-CG 4.38Å; F402-F411 HydrophobicContact CE2-CD2 4.47Å; F402-F411 HydrophobicContact CZ-CD2 4.06Å; V408-F411 VanDerWaalsContact O-CB 3.24Å; V408-F411 WeakPolarHBondContact O-CB 3.37Å; V408-F411 PolarHBondContact O-N 3.46Å; A409-F411 VanDerWaalsContact C-N 3.28Å; A409-F411 PolarHBondContact O-N 3.06Å; F411-G425 WeakPolarHBondContact O-CA 3.11Å; F411-Q426 PolarHBondContact O-N 2.98Å; F411-L427 HydrophobicContact CE1-CD2 3.66Å; F411-L427 HydrophobicContact CE2-CD2 4.14Å; F411-L427 HydrophobicContact CZ-CB 4.49Å; F411-L427 HydrophobicContact CZ-CD2 3.43Å; F411-L427 VanDerWaalsContact CZ-CD2 3.43Å; F411-L427 PolarHBondContact O-N 3.38Å; F411-F441 HydrophobicContact CE2-CD1 4.39Å; F411-F441 AromaticContact CE2-CE1 3.8Å; F411-F441 HydrophobicContact CE2-CE1 3.8Å; F411-F441 AromaticContact CZ-CE1 3.69Å; F411-F441 HydrophobicContact CZ-CE1 3.69Å; F411-F441 HydrophobicContact CZ-CZ 4.07Å; F411-V451 HydrophobicContact CD2-CG1 4.49Å; F411-V451 HydrophobicContact CE2-CG1 4.31Å; F411-V451 HydrophobicContact CZ-CG1 4.33Å; F411-I454 HydrophobicContact CD1-CG2 3.94Å; F411-I454 HydrophobicContact CE1-CG2 3.73Å; F411-M455 HydrophobicContact CE2-CE 4.37Å; F411-M455 HydrophobicContact CZ-CE 3.99Å
412	I	83.8	Confident	83.6	Confident	34 Å²	34	73.6 Å²	73.6	17%	0.174	40%	0.399	C	S	.	.	H	α-helix	trans	-92.1	-29.2	177.5	-76.2	-173.8	0	0	0	113.4	G425 I454 L464 T465 D466 G467	I412-G425 WeakPolarHBondContact O-CA 3.38Å; I412-G425 PolarHBondContact O-N 3.05Å; I412-I454 HydrophobicContact CD1-CB 4.19Å; I412-I454 HydrophobicContact CD1-CD1 3.56Å; I412-I454 HydrophobicContact CD1-CG1 3.6Å; I412-I454 HydrophobicContact CD1-CG2 3.57Å; I412-I454 HydrophobicContact CG1-CD1 4.03Å; I412-I454 HydrophobicContact CG1-CG1 4.46Å; I412-I454 HydrophobicContact CG1-CG2 3.91Å; I412-L464 HydrophobicContact CD1-CD1 4.36Å; I412-L464 HydrophobicContact CG1-CD1 4.33Å; I412-T465 WeakPolarHBondContact CG2-O 3.48Å; I412-D466 VanDerWaalsContact O-CG 3.3Å; I412-G467 PolarHBondContact O-N 3.14Å
413	G	86.6	Confident	82.5	Confident	8 Å²	8	80.2 Å²	80.2	8%	0.082	43%	0.43	C	S	.	.			trans	110.7	144.2	-167.2	0	0	0	0	0	111.4	A409 G425	A409-G413 CarbonylContact O-C 3.45Å; A409-G413 WeakPolarHBondContact O-CA 3.24Å; A409-G413 PolarHBondContact O-N 3.28Å; G413-G425 VanDerWaalsContact N-CA 3.34Å
414	S	85.1	Confident	81.8	Confident	24 Å²	24	75.5 Å²	75.5	17%	0.168	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-59.8	142.4	174.4	-56.1	0	0	0	0	110.9	A409 V419 H421	A409-S414 PolarHBondContact O-N 2.85Å; S414-V419 WeakPolarHBondContact CB-O 3.28Å; S414-V419 PolarHBondContact OG-O 3.2Å; S414-H421 PolarHBondContact O-CD2 3.06Å
415	P	81.1	Confident	81.6	Confident	67 Å²	67	70.2 Å²	70.2	44%	0.435	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-66.3	162.9	175.9	27.1	-33.4	0	0	0	112.2	G417 Y418	P415-G417 PolarHBondContact O-N 2.83Å; P415-Y418 HydrophobicContact CG-CD2 3.78Å; P415-Y418 HydrophobicContact CG-CE2 4.2Å; P415-Y418 HydrophobicContact CG-CG 4.4Å; P415-Y418 PolarHBondContact O-N 3.36Å
416	P	80.1	Confident	81.6	Confident	91 Å²	91	67.3 Å²	67.3	59%	0.591	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	133.8	-179.2	-24.1	33.6	0	0	0	112.4	H421 G467	P416-H421 VanDerWaalsContact CA-CD2 3.49Å; P416-H421 WeakPolarHBondContact CA-CD2 3.46Å; P416-G467 WeakPolarHBondContact CD-O 3.47Å
417	G	78.2	Confident	81.9	Confident	82 Å²	82	60.9 Å²	60.9	85%	0.845	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.6	-5.9	-177.8	0	0	0	0	0	115.5	P415	P415-G417 PolarHBondContact O-N 2.83Å
418	Y	81.5	Confident	82	Confident	165 Å²	165	59.2 Å²	59.2	65%	0.647	34%	0.336	S	S	*	.	S	Bend	trans	-103.2	153.1	174.5	-72.3	-100.1	0	0	0	112.4	P415 G420 H421	P415-Y418 HydrophobicContact CG-CD2 3.78Å; P415-Y418 HydrophobicContact CG-CE2 4.2Å; P415-Y418 HydrophobicContact CG-CG 4.4Å; P415-Y418 PolarHBondContact O-N 3.36Å; Y418-G420 PolarHBondContact O-N 2.74Å; Y418-H421 VanDerWaalsContact O-CB 3.27Å; Y418-H421 WeakPolarHBondContact O-CB 3.47Å; Y418-H421 PolarHBondContact O-N 2.9Å; Y418-H421 VanDerWaalsContact O-N 3.17Å
419	V	78.1	Confident	82.1	Confident	144 Å²	144	62.9 Å²	62.9	87%	0.873	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	136.2	175.4	-176.5	0	0	0	0	109.7	S414	S414-V419 WeakPolarHBondContact CB-O 3.28Å; S414-V419 PolarHBondContact OG-O 3.2Å
420	G	72.2	Confident	82.3	Confident	29 Å²	29	64.7 Å²	64.7	30%	0.299	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	-6.2	-175.4	0	0	0	0	0	115.5	Y418 E422 E423 G424	Y418-G420 PolarHBondContact O-N 2.74Å; G420-E422 PolarHBondContact O-N 2.91Å; G420-E423 PolarHBondContact O-N 2.84Å; G420-G424 PolarHBondContact O-N 2.66Å
421	H	71.7	Confident	82.5	Confident	48 Å²	48	59.6 Å²	59.6	22%	0.222	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-37.4	175.6	170.2	-104.9	0	0	0	112.7	S414 P416 Y418 E423 G424 K468	S414-H421 PolarHBondContact O-CD2 3.06Å; P416-H421 VanDerWaalsContact CA-CD2 3.49Å; P416-H421 WeakPolarHBondContact CA-CD2 3.46Å; Y418-H421 VanDerWaalsContact O-CB 3.27Å; Y418-H421 WeakPolarHBondContact O-CB 3.47Å; Y418-H421 PolarHBondContact O-N 2.9Å; Y418-H421 VanDerWaalsContact O-N 3.17Å; H421-E423 PolarHBondContact O-N 3.46Å; H421-G424 PolarHBondContact O-N 2.8Å; H421-K468 WeakPolarHBondContact O-CE 3.36Å
422	E	68.1	Low	82.6	Confident	171 Å²	171	66 Å²	66	80%	0.799	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-15.9	177.3	-68.6	-152	166.5	0	0	114.4	G420 K468	G420-E422 PolarHBondContact O-N 2.91Å; E422-K468 VanDerWaalsContact C-CE 3.49Å; E422-K468 VanDerWaalsContact O-CE 3.26Å; E422-K468 WeakPolarHBondContact O-CE 3.31Å; E422-K468 PolarHBondContact O-NZ 3.34Å
423	E	70.4	Confident	82.8	Confident	141 Å²	141	67.3 Å²	67.3	66%	0.659	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-44	176.1	-58.7	-166.7	-179.8	0	0	110.7	G420 H421 K429	G420-E423 PolarHBondContact O-N 2.84Å; H421-E423 PolarHBondContact O-N 3.46Å; E423-K429 VanDerWaalsContact C-CE 3.46Å; E423-K429 WeakPolarHBondContact O-CE 3.47Å; E423-K429 PolarHBondContact O-NZ 3.4Å
424	G	79.7	Confident	82.9	Confident	6 Å²	6	68 Å²	68	6%	0.062	38%	0.38	C	S	.	.			trans	78.8	176.2	-170.3	0	0	0	0	0	112.8	G420 H421 K429 D466	G420-G424 PolarHBondContact O-N 2.66Å; H421-G424 PolarHBondContact O-N 2.8Å; G424-K429 WeakPolarHBondContact O-CE 3.27Å; G424-K429 PolarHBondContact O-NZ 3.5Å; G424-D466 VanDerWaalsContact CA-OD1 3.3Å; G424-D466 WeakPolarHBondContact CA-OD1 3.48Å
425	G	85.7	Confident	83.2	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	39%	0.391	C	S	.	.			trans	-68.7	151.8	-170.4	0	0	0	0	0	115.9	F411 I412 G413 T428 K429 D466	F411-G425 WeakPolarHBondContact O-CA 3.11Å; I412-G425 WeakPolarHBondContact O-CA 3.38Å; I412-G425 PolarHBondContact O-N 3.05Å; G413-G425 VanDerWaalsContact N-CA 3.34Å; G425-T428 VanDerWaalsContact C-OG1 3.3Å; G425-T428 WeakPolarHBondContact CA-OG1 3.24Å; G425-T428 PolarHBondContact N-OG1 3.38Å; G425-T428 PolarHBondContact O-OG1 2.92Å; G425-K429 WeakPolarHBondContact O-CB 3.06Å; G425-K429 WeakPolarHBondContact O-CD 3.5Å; G425-K429 WeakPolarHBondContact O-CG 3.33Å; G425-K429 PolarHBondContact O-N 3.03Å; G425-K429 VanDerWaalsContact O-N 3.13Å; G425-D466 PolarHBondContact N-OD2 3.38Å
426	Q	89.2	Confident	83.6	Confident	75 Å²	75	70.2 Å²	70.2	35%	0.35	39%	0.39	S	S	.	.	H	α-helix	trans	-66.3	-46.3	174.5	-173.5	175.7	-0.6	0	0	111.5	M397 K410 F411 L430	M397-Q426 HydrophobicContact CE-CB 4.11Å; M397-Q426 HydrophobicContact CE-CG 3.86Å; M397-Q426 HydrophobicContact SD-CG 3.93Å; K410-Q426 WeakPolarHBondContact O-CB 3.27Å; K410-Q426 PolarHBondContact O-N 3.17Å; F411-Q426 PolarHBondContact O-N 2.98Å; Q426-L430 VanDerWaalsContact O-CG 3.31Å; Q426-L430 WeakPolarHBondContact O-CG 3.46Å; Q426-L430 PolarHBondContact O-N 2.92Å
427	L	91.1	Very high	84.3	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-70.8	-42.8	-179.9	-179.2	60.7	0	0	0	111.6	I395 F411 K429 L430 L431 V439 F441 L458 L464	I395-L427 HydrophobicContact CG2-CD1 4.4Å; F411-L427 HydrophobicContact CE1-CD2 3.66Å; F411-L427 HydrophobicContact CE2-CD2 4.14Å; F411-L427 HydrophobicContact CZ-CB 4.49Å; F411-L427 HydrophobicContact CZ-CD2 3.43Å; F411-L427 VanDerWaalsContact CZ-CD2 3.43Å; F411-L427 PolarHBondContact O-N 3.38Å; L427-K429 PolarHBondContact O-N 2.86Å; L427-L430 PolarHBondContact O-N 2.87Å; L427-L431 HydrophobicContact CD1-CD1 3.74Å; L427-L431 HydrophobicContact CD1-CG 4.06Å; L427-L431 HydrophobicContact CD2-CD1 4.31Å; L427-L431 HydrophobicContact CG-CD1 3.76Å; L427-L431 HydrophobicContact CG-CG 4.44Å; L427-L431 PolarHBondContact O-N 2.91Å; L427-V439 HydrophobicContact CD1-CG1 3.96Å; L427-F441 HydrophobicContact CD1-CE1 4.47Å; L427-F441 HydrophobicContact CD2-CE1 4.07Å; L427-F441 HydrophobicContact CD2-CZ 3.87Å; L427-L458 HydrophobicContact CD2-CD2 4.18Å; L427-L464 HydrophobicContact CB-CD2 4.39Å; L427-L464 HydrophobicContact CD2-CD2 3.79Å; L427-L464 HydrophobicContact CG-CD2 4.02Å
428	T	90.3	Very high	85.2	Confident	1 Å²	1	62 Å²	62	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-61.4	-44.5	179.6	53.2	0	0	0	0	111.8	G425 L430 K432 L464 D466 I472	G425-T428 VanDerWaalsContact C-OG1 3.3Å; G425-T428 WeakPolarHBondContact CA-OG1 3.24Å; G425-T428 PolarHBondContact N-OG1 3.38Å; G425-T428 PolarHBondContact O-OG1 2.92Å; T428-L430 VanDerWaalsContact C-N 3.31Å; T428-L430 PolarHBondContact O-N 3.02Å; T428-K432 VanDerWaalsContact O-CB 3.25Å; T428-K432 WeakPolarHBondContact O-CB 3.33Å; T428-K432 PolarHBondContact O-N 3.26Å; T428-L464 HydrophobicContact CG2-CD2 3.58Å; T428-L464 HydrophobicContact CG2-CG 3.85Å; T428-D466 WeakPolarHBondContact CB-OD2 3.3Å; T428-D466 HydrophobicContact CG2-CB 4.01Å; T428-D466 PolarHBondContact OG1-OD2 3.21Å; T428-I472 HydrophobicContact CG2-CD1 4.18Å; T428-I472 WeakPolarHBondContact O-CD1 3.44Å
429	K	89.7	Confident	85.9	Confident	91 Å²	91	54.1 Å²	54.1	40%	0.396	29%	0.291	S	S	.	.	H	α-helix	trans	-55.4	-44.5	174.2	-77.2	165	-167.5	157.1	0	112.8	E423 G424 G425 L427 A433	E423-K429 VanDerWaalsContact C-CE 3.46Å; E423-K429 WeakPolarHBondContact O-CE 3.47Å; E423-K429 PolarHBondContact O-NZ 3.4Å; G424-K429 WeakPolarHBondContact O-CE 3.27Å; G424-K429 PolarHBondContact O-NZ 3.5Å; G425-K429 WeakPolarHBondContact O-CB 3.06Å; G425-K429 WeakPolarHBondContact O-CD 3.5Å; G425-K429 WeakPolarHBondContact O-CG 3.33Å; G425-K429 PolarHBondContact O-N 3.03Å; G425-K429 VanDerWaalsContact O-N 3.13Å; L427-K429 PolarHBondContact O-N 2.86Å; K429-A433 PolarHBondContact O-N 3.34Å
430	L	91.1	Very high	86.9	Confident	73 Å²	73	47.3 Å²	47.3	38%	0.382	25%	0.249	S	C	.	.	H	α-helix	trans	-73.9	-44.9	-174.8	-65.2	172.5	0	0	0	111.2	I395 M397 Q426 L427 T428 K432 A433 C434	I395-L430 HydrophobicContact CD1-CB 3.62Å; I395-L430 HydrophobicContact CG1-CB 4Å; I395-L430 HydrophobicContact CG2-CB 4.41Å; I395-L430 HydrophobicContact CG2-CD1 3.87Å; M397-L430 HydrophobicContact SD-CD1 4.49Å; Q426-L430 VanDerWaalsContact O-CG 3.31Å; Q426-L430 WeakPolarHBondContact O-CG 3.46Å; Q426-L430 PolarHBondContact O-N 2.92Å; L427-L430 PolarHBondContact O-N 2.87Å; T428-L430 VanDerWaalsContact C-N 3.31Å; T428-L430 PolarHBondContact O-N 3.02Å; L430-K432 VanDerWaalsContact C-N 3.32Å; L430-K432 PolarHBondContact O-N 3.19Å; L430-A433 WeakPolarHBondContact O-CB 3.47Å; L430-A433 PolarHBondContact O-N 3.31Å; L430-C434 PolarHBondContact O-N 3.19Å
431	L	90.9	Very high	88.1	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-65	-33.2	174.4	-73.9	171.8	0	0	0	112.7	I395 L427 A433 C434 P435 V439 I472 A477 F479	I395-L431 HydrophobicContact CD1-CD2 4.04Å; I395-L431 HydrophobicContact CD1-CG 4.26Å; L427-L431 HydrophobicContact CD1-CD1 3.74Å; L427-L431 HydrophobicContact CD1-CG 4.06Å; L427-L431 HydrophobicContact CD2-CD1 4.31Å; L427-L431 HydrophobicContact CG-CD1 3.76Å; L427-L431 HydrophobicContact CG-CG 4.44Å; L427-L431 PolarHBondContact O-N 2.91Å; L431-A433 PolarHBondContact O-N 3.05Å; L431-C434 CarbonylContact O-C 3.53Å; L431-C434 PolarHBondContact O-N 3.29Å; L431-P435 WeakPolarHBondContact O-CA 3.37Å; L431-P435 WeakPolarHBondContact O-CD 3.48Å; L431-V439 HydrophobicContact CD2-CG2 3.78Å; L431-V439 HydrophobicContact CG-CG2 4.49Å; L431-I472 HydrophobicContact CB-CG2 4.39Å; L431-A477 HydrophobicContact CD2-CB 4.46Å; L431-F479 HydrophobicContact CD1-CE1 4.47Å; L431-F479 HydrophobicContact CD1-CZ 4.45Å
432	K	89.8	Confident	89.2	Confident	136 Å²	136	44 Å²	44	59%	0.591	23%	0.226	S	C	*	.	H	α-helix	trans	-60.3	-28.5	171.1	-172.9	-177.4	172.5	-166.4	0	112.7	T428 L430 I472	T428-K432 VanDerWaalsContact O-CB 3.25Å; T428-K432 WeakPolarHBondContact O-CB 3.33Å; T428-K432 PolarHBondContact O-N 3.26Å; L430-K432 VanDerWaalsContact C-N 3.32Å; L430-K432 PolarHBondContact O-N 3.19Å; K432-I472 HydrophobicContact CB-CD1 3.99Å
433	A	88.6	Confident	90.4	Very high	61 Å²	61	38.2 Å²	38.2	50%	0.504	20%	0.199	S	C	.	.	H	α-helix	trans	-82.8	-33.7	177.9	0	0	0	0	0	112.8	K429 L430 L431	K429-A433 PolarHBondContact O-N 3.34Å; L430-A433 WeakPolarHBondContact O-CB 3.47Å; L430-A433 PolarHBondContact O-N 3.31Å; L431-A433 PolarHBondContact O-N 3.05Å
434	C	89.3	Confident	91.6	Very high	21 Å²	21	31.6 Å²	31.6	14%	0.142	17%	0.169	C	C	.	.			trans	-144.4	92.7	175.8	-69.9	0	0	0	0	110.2	K392 L430 L431 N436 A437	K392-C434 VanDerWaalsContact CB-SG 3.53Å; L430-C434 PolarHBondContact O-N 3.19Å; L431-C434 CarbonylContact O-C 3.53Å; L431-C434 PolarHBondContact O-N 3.29Å; C434-N436 PolarHBondContact O-N 2.98Å; C434-A437 HydrophobicContact CB-CB 4.03Å; C434-A437 VanDerWaalsContact O-CB 3.24Å; C434-A437 WeakPolarHBondContact O-CB 3.39Å; C434-A437 PolarHBondContact O-N 3.47Å
435	P	89.6	Confident	92.1	Very high	61 Å²	61	32.1 Å²	32.1	40%	0.396	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.7	-176.5	-25.5	35.7	0	0	0	114.7	L431	L431-P435 WeakPolarHBondContact O-CA 3.37Å; L431-P435 WeakPolarHBondContact O-CD 3.48Å
436	N	91.1	Very high	92.5	Very high	78 Å²	78	36.6 Å²	36.6	42%	0.417	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	15.6	179	66.3	-18.6	0	0	0	113.6	H387 C434 D476	H387-N436 PolarHBondContact CE1-O 3.4Å; H387-N436 PolarHBondContact NE2-O 3.18Å; C434-N436 PolarHBondContact O-N 2.98Å; N436-D476 HydrophobicContact CB-CB 3.8Å
437	A	94.7	Very high	92.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.178	C	C	.	.			trans	-65.4	156	-176.2	0	0	0	0	0	113.5	I395 C434 A477 I478	I395-A437 HydrophobicContact CD1-CB 3.72Å; I395-A437 HydrophobicContact CG1-CB 4.25Å; C434-A437 HydrophobicContact CB-CB 4.03Å; C434-A437 VanDerWaalsContact O-CB 3.24Å; C434-A437 WeakPolarHBondContact O-CB 3.39Å; C434-A437 PolarHBondContact O-N 3.47Å; A437-A477 WeakPolarHBondContact O-CA 3.37Å; A437-A477 WeakPolarHBondContact O-CB 3.48Å; A437-I478 PolarHBondContact O-N 3.47Å; A437-I478 VanDerWaalsContact O-N 3.14Å
438	V	96.8	Very high	92.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	115.3	165.5	-177	0	0	0	0	108.7	V382 A383 M386 G393 I395 I478 I480	V382-V438 HydrophobicContact CG1-CG1 4.49Å; V382-V438 HydrophobicContact CG1-CG2 4.23Å; A383-V438 HydrophobicContact CB-CB 3.73Å; A383-V438 HydrophobicContact CB-CG1 4.21Å; A383-V438 HydrophobicContact CB-CG2 3.88Å; M386-V438 HydrophobicContact CG-CG2 4.4Å; G393-V438 PolarHBondContact O-N 3.3Å; I395-V438 PolarHBondContact N-O 3.39Å; V438-I478 CarbonylContact C-O 3.55Å; V438-I478 WeakPolarHBondContact CA-O 3.25Å; V438-I478 HydrophobicContact CG2-CB 4.34Å; V438-I480 HydrophobicContact CG1-CD1 3.78Å; V438-I480 HydrophobicContact CG1-CG1 4.44Å
439	V	97	Very high	92.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	117.9	-178.5	-177	0	0	0	0	109.7	I395 L427 L431 F441 I478 F479 I480	I395-V439 HydrophobicContact CB-CG1 4.49Å; I395-V439 HydrophobicContact CB-CG2 4.2Å; I395-V439 HydrophobicContact CD1-CG2 4.11Å; I395-V439 HydrophobicContact CG2-CG1 4.16Å; I395-V439 CarbonylContact O-C 3.56Å; I395-V439 WeakPolarHBondContact O-CA 3.31Å; L427-V439 HydrophobicContact CD1-CG1 3.96Å; L431-V439 HydrophobicContact CD2-CG2 3.78Å; L431-V439 HydrophobicContact CG-CG2 4.49Å; V439-F441 HydrophobicContact CG1-CD1 4.3Å; V439-F441 HydrophobicContact CG1-CE1 3.75Å; V439-F441 HydrophobicContact CG1-CE2 4.02Å; V439-F441 HydrophobicContact CG1-CZ 3.6Å; V439-I478 PolarHBondContact N-O 3.08Å; V439-F479 HydrophobicContact CB-CD1 3.61Å; V439-F479 HydrophobicContact CB-CE1 3.83Å; V439-F479 HydrophobicContact CG1-CD1 3.95Å; V439-F479 HydrophobicContact CG1-CE1 4.11Å; V439-F479 HydrophobicContact CG2-CD1 4.04Å; V439-F479 HydrophobicContact CG2-CE1 3.74Å; V439-I480 PolarHBondContact O-N 2.92Å
440	L	97.6	Very high	92.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	114.6	174.6	-175.5	66.5	0	0	0	110.5	T376 A379 F394 I395 R396 M397 I480 T482	T376-L440 HydrophobicContact CG2-CD2 3.61Å; A379-L440 HydrophobicContact CB-CD1 3.68Å; A379-L440 HydrophobicContact CB-CD2 4.12Å; A379-L440 HydrophobicContact CB-CG 4.35Å; F394-L440 HydrophobicContact CE2-CB 3.96Å; F394-L440 HydrophobicContact CE2-CD2 4.32Å; F394-L440 HydrophobicContact CZ-CB 4.09Å; F394-L440 HydrophobicContact CZ-CD2 3.86Å; I395-L440 PolarHBondContact O-N 2.92Å; R396-L440 HydrophobicContact CG-CD2 4.23Å; M397-L440 PolarHBondContact N-O 3.33Å; L440-I480 CarbonylContact C-O 3.55Å; L440-I480 VanDerWaalsContact CA-O 3.32Å; L440-I480 WeakPolarHBondContact CA-O 3.43Å; L440-I480 HydrophobicContact CD1-CB 3.93Å; L440-I480 HydrophobicContact CD1-CG2 3.64Å; L440-I480 WeakPolarHBondContact CD1-O 3.3Å; L440-T482 HydrophobicContact CD1-CG2 3.57Å; L440-T482 HydrophobicContact CG-CG2 4.49Å
441	F	96.9	Very high	92.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	100	165.2	-58.4	-59.8	0	0	0	108.2	M397 M399 F411 L427 V439 M455 F459 F479 I480 M481 T482	M397-F441 HydrophobicContact CB-CD1 3.95Å; M397-F441 HydrophobicContact CB-CE1 4.33Å; M397-F441 HydrophobicContact CG-CD1 4.38Å; M397-F441 HydrophobicContact CG-CE1 4.29Å; M399-F441 HydrophobicContact CE-CD1 3.79Å; M399-F441 HydrophobicContact CG-CB 4.02Å; M399-F441 HydrophobicContact SD-CB 4.12Å; M399-F441 HydrophobicContact SD-CD1 3.96Å; M399-F441 HydrophobicContact SD-CG 4.36Å; F411-F441 HydrophobicContact CE2-CD1 4.39Å; F411-F441 AromaticContact CE2-CE1 3.8Å; F411-F441 HydrophobicContact CE2-CE1 3.8Å; F411-F441 AromaticContact CZ-CE1 3.69Å; F411-F441 HydrophobicContact CZ-CE1 3.69Å; F411-F441 HydrophobicContact CZ-CZ 4.07Å; L427-F441 HydrophobicContact CD1-CE1 4.47Å; L427-F441 HydrophobicContact CD2-CE1 4.07Å; L427-F441 HydrophobicContact CD2-CZ 3.87Å; V439-F441 HydrophobicContact CG1-CD1 4.3Å; V439-F441 HydrophobicContact CG1-CE1 3.75Å; V439-F441 HydrophobicContact CG1-CE2 4.02Å; V439-F441 HydrophobicContact CG1-CZ 3.6Å; F441-M455 HydrophobicContact CB-CE 4.1Å; F441-M455 HydrophobicContact CD1-CE 3.49Å; F441-M455 VanDerWaalsContact CD1-CE 3.49Å; F441-M455 HydrophobicContact CD2-CE 3.64Å; F441-M455 HydrophobicContact CD2-SD 4.43Å; F441-M455 HydrophobicContact CE1-CE 3.71Å; F441-M455 HydrophobicContact CE2-CE 3.81Å; F441-M455 HydrophobicContact CG-CE 3.47Å; F441-M455 VanDerWaalsContact CG-CE 3.47Å; F441-M455 HydrophobicContact CZ-CE 3.86Å; F441-F459 HydrophobicContact CE2-CE1 4.49Å; F441-F459 HydrophobicContact CE2-CZ 4.36Å; F441-F479 HydrophobicContact CE2-CB 4.45Å; F441-F479 AromaticContact CE2-CD1 3.54Å; F441-F479 HydrophobicContact CE2-CD1 3.54Å; F441-F479 HydrophobicContact CE2-CE1 4.25Å; F441-F479 HydrophobicContact CE2-CG 4.36Å; F441-F479 AromaticContact CZ-CD1 3.97Å; F441-F479 HydrophobicContact CZ-CD1 3.97Å; F441-F479 HydrophobicContact CZ-CE1 4.26Å; F441-I480 PolarHBondContact N-O 3.44Å; F441-M481 HydrophobicContact CB-CG 4.17Å; F441-M481 HydrophobicContact CD2-CG 3.93Å; F441-M481 CarbonylContact O-C 3.13Å; F441-M481 WeakPolarHBondContact O-CA 3.43Å; F441-T482 PolarHBondContact O-N 3.04Å
442	D	95.6	Very high	92.7	Very high	8 Å²	8	34 Å²	34	4%	0.043	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	138.1	-177.9	-127.5	-7.5	0	0	0	110.3	T376 R396 M397 M399 V444 T482	T376-D442 PolarHBondContact OG1-OD1 3.12Å; R396-D442 IonicContact CZ-OD2 3.19Å; R396-D442 IonicContact NE-OD2 3.41Å; R396-D442 PolarHBondContact NE-OD2 2.93Å; R396-D442 IonicContact NH2-OD2 2.81Å; R396-D442 PolarHBondContact NH2-OD2 3.48Å; M397-D442 PolarHBondContact O-N 3.16Å; M399-D442 WeakPolarHBondContact CB-O 3.38Å; M399-D442 VanDerWaalsContact CG-O 3.29Å; M399-D442 WeakPolarHBondContact CG-O 3.2Å; M399-D442 PolarHBondContact N-O 3.28Å; D442-V444 PolarHBondContact O-N 3.3Å; D442-T482 WeakPolarHBondContact CA-OG1 3.38Å; D442-T482 WeakPolarHBondContact OD1-CG2 3.31Å; D442-T482 PolarHBondContact OD1-OG1 2.92Å
443	E	94.1	Very high	92.7	Very high	50 Å²	50	30.6 Å²	30.6	23%	0.234	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	45.7	176.9	-52.6	-163.6	153.2	0	0	114.4	S400 D445 K446 T482	S400-E443 PolarHBondContact OG-OE2 3.37Å; E443-D445 PolarHBondContact O-N 2.72Å; E443-K446 HydrophobicContact CB-CG 4.36Å; E443-K446 WeakPolarHBondContact O-CB 3.45Å; E443-K446 PolarHBondContact O-N 2.78Å; E443-T482 CarbonylContact C-O 3.56Å; E443-T482 WeakPolarHBondContact CA-O 3.45Å; E443-T482 PolarHBondContact N-O 3.17Å; E443-T482 PolarHBondContact N-OG1 3.26Å
444	V	94.4	Very high	92.8	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.012	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-58.2	-17.6	-177.5	77.4	0	0	0	0	114.2	L366 M399 D442 K446 A447 L452 M455 M481 T482 F541	L366-V444 HydrophobicContact CD1-CG1 4.34Å; M399-V444 HydrophobicContact CG-CB 4.27Å; M399-V444 HydrophobicContact CG-CG2 4.34Å; D442-V444 PolarHBondContact O-N 3.3Å; V444-K446 PolarHBondContact O-N 3.31Å; V444-A447 WeakPolarHBondContact O-CB 3.42Å; V444-A447 PolarHBondContact O-N 2.86Å; V444-L452 HydrophobicContact CG2-CD2 3.92Å; V444-M455 HydrophobicContact CG2-SD 4.29Å; V444-M481 HydrophobicContact CB-CB 4.46Å; V444-M481 HydrophobicContact CG1-CB 4.1Å; V444-M481 HydrophobicContact CG2-SD 4.35Å; V444-T482 PolarHBondContact N-O 2.98Å; V444-F541 HydrophobicContact CG1-CE1 4.06Å; V444-F541 HydrophobicContact CG1-CZ 3.96Å
445	D	91.7	Very high	92.9	Very high	16 Å²	16	27.9 Å²	27.9	9%	0.086	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-68.1	-9.1	170.6	54.8	-88.7	0	0	0	114.9	E443 S483 N484 V485 H540	E443-D445 PolarHBondContact O-N 2.72Å; D445-S483 WeakPolarHBondContact CB-OG 3.19Å; D445-S483 WeakPolarHBondContact OD1-CA 3.43Å; D445-S483 WeakPolarHBondContact OD1-CB 3.34Å; D445-S483 PolarHBondContact OD1-OG 2.82Å; D445-N484 PolarHBondContact OD1-N 2.78Å; D445-V485 HydrophobicContact CB-CG2 3.55Å; D445-H540 VanDerWaalsContact CA-CE1 3.47Å; D445-H540 WeakPolarHBondContact CA-CE1 3.48Å; D445-H540 VanDerWaalsContact CB-CE1 3.41Å; D445-H540 WeakPolarHBondContact CB-CE1 3.43Å; D445-H540 PolarHBondContact O-CE1 3.39Å; D445-H540 VanDerWaalsContact O-CE1 3.25Å
446	K	92.4	Very high	92.9	Very high	95 Å²	95	25.8 Å²	25.8	41%	0.413	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-98.5	-7	173.7	-54.7	-57.7	178.2	-116.3	0	113.7	Q403 E443 V444	Q403-K446 HydrophobicContact CG-CB 4.46Å; Q403-K446 VanDerWaalsContact CG-O 3.22Å; Q403-K446 WeakPolarHBondContact CG-O 3.48Å; E443-K446 HydrophobicContact CB-CG 4.36Å; E443-K446 WeakPolarHBondContact O-CB 3.45Å; E443-K446 PolarHBondContact O-N 2.78Å; V444-K446 PolarHBondContact O-N 3.31Å
447	A	93.5	Very high	92.7	Very high	14 Å²	14	25.9 Å²	25.9	12%	0.116	14%	0.136	C	C	.	.	S	Bend	trans	-67.8	143.8	-177.8	0	0	0	0	0	113	M399 V444 V451 L452	M399-A447 HydrophobicContact CB-CB 4.13Å; V444-A447 WeakPolarHBondContact O-CB 3.42Å; V444-A447 PolarHBondContact O-N 2.86Å; A447-V451 HydrophobicContact CB-CB 4.3Å; A447-L452 HydrophobicContact CB-CD2 4.43Å
448	H	92.6	Very high	92.5	Very high	46 Å²	46	25.9 Å²	25.9	21%	0.213	14%	0.136	C	C	.	.			trans	-62	141.3	167.1	-170.9	-100.7	0	0	0	111.1	F402 Q403 V408 D450 V451	F402-H448 VanDerWaalsContact O-CB 3.3Å; F402-H448 WeakPolarHBondContact O-CB 3.36Å; F402-H448 PolarHBondContact O-N 2.81Å; Q403-H448 WeakPolarHBondContact O-CB 3.39Å; V408-H448 HydrophobicContact CG2-CB 4.08Å; H448-D450 VanDerWaalsContact CE1-CG 3.42Å; H448-D450 IonicContact CE1-OD1 2.73Å; H448-D450 IonicContact CE1-OD2 2.86Å; H448-D450 PolarHBondContact CE1-OD2 2.74Å; H448-D450 VanDerWaalsContact CE1-OD2 3.27Å; H448-D450 WeakPolarHBondContact ND1-CB 3.43Å; H448-D450 PolarHBondContact ND1-N 3.46Å; H448-D450 IonicContact ND1-OD2 3.9Å; H448-D450 PolarHBondContact O-N 2.94Å; H448-V451 HydrophobicContact CB-CG2 4.29Å; H448-V451 WeakPolarHBondContact O-CB 3.34Å; H448-V451 PolarHBondContact O-N 3.23Å
449	P	90.5	Very high	92.3	Very high	64 Å²	64	26.1 Å²	26.1	42%	0.416	14%	0.137	S	C	.	.	H	α-helix	trans	-56.5	-25.2	-179.6	-29	36.5	0	0	0	115.6	V451 L452 T453 R543	P449-V451 VanDerWaalsContact C-N 3.31Å; P449-L452 PolarHBondContact O-N 3.32Å; P449-T453 PolarHBondContact O-N 3.08Å; P449-T453 PolarHBondContact O-OG1 2.9Å; P449-T453 VanDerWaalsContact O-OG1 3.07Å; P449-R543 PolarHBondContact O-NH1 3.4Å; P449-R543 VanDerWaalsContact O-NH1 3.1Å; P449-R543 PolarHBondContact O-NH2 3.25Å; P449-R543 VanDerWaalsContact O-NH2 3.07Å
450	D	89.9	Confident	91.9	Very high	51 Å²	51	28.4 Å²	28.4	27%	0.273	15%	0.149	S	C	.	.	H	α-helix	trans	-67.7	-30.2	175	-66.2	-12.8	0	0	0	112	K405 V408 H448 T453 I454	K405-D450 VanDerWaalsContact CE-OD2 3.25Å; K405-D450 WeakPolarHBondContact CE-OD2 3.41Å; K405-D450 IonicContact NZ-OD2 3.54Å; K405-D450 PolarHBondContact NZ-OD2 3.23Å; V408-D450 HydrophobicContact CG1-CB 4.18Å; V408-D450 HydrophobicContact CG2-CB 4.34Å; H448-D450 VanDerWaalsContact CE1-CG 3.42Å; H448-D450 IonicContact CE1-OD1 2.73Å; H448-D450 IonicContact CE1-OD2 2.86Å; H448-D450 PolarHBondContact CE1-OD2 2.74Å; H448-D450 VanDerWaalsContact CE1-OD2 3.27Å; H448-D450 WeakPolarHBondContact ND1-CB 3.43Å; H448-D450 PolarHBondContact ND1-N 3.46Å; H448-D450 IonicContact ND1-OD2 3.9Å; H448-D450 PolarHBondContact O-N 2.94Å; D450-T453 WeakPolarHBondContact O-CB 3.43Å; D450-T453 PolarHBondContact O-N 2.95Å; D450-T453 PolarHBondContact O-OG1 3.29Å; D450-I454 PolarHBondContact O-N 2.82Å
451	V	91.8	Very high	91.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.2	-42.1	172.4	-173.8	0	0	0	0	110.3	M399 F402 V408 F411 A447 H448 P449 T453 I454 M455	M399-V451 HydrophobicContact SD-CG1 4.38Å; F402-V451 HydrophobicContact CB-CG2 3.88Å; V408-V451 HydrophobicContact CB-CG2 4.39Å; V408-V451 HydrophobicContact CG1-CG2 4.08Å; V408-V451 HydrophobicContact CG2-CG2 3.77Å; F411-V451 HydrophobicContact CD2-CG1 4.49Å; F411-V451 HydrophobicContact CE2-CG1 4.31Å; F411-V451 HydrophobicContact CZ-CG1 4.33Å; A447-V451 HydrophobicContact CB-CB 4.3Å; H448-V451 HydrophobicContact CB-CG2 4.29Å; H448-V451 WeakPolarHBondContact O-CB 3.34Å; H448-V451 PolarHBondContact O-N 3.23Å; P449-V451 VanDerWaalsContact C-N 3.31Å; V451-T453 PolarHBondContact O-N 2.99Å; V451-I454 WeakPolarHBondContact O-CB 3.37Å; V451-I454 PolarHBondContact O-N 3.39Å; V451-I454 VanDerWaalsContact O-N 3.11Å; V451-M455 HydrophobicContact CG1-CE 3.95Å; V451-M455 HydrophobicContact CG1-SD 4.45Å; V451-M455 WeakPolarHBondContact O-CG 3.48Å; V451-M455 PolarHBondContact O-N 3.15Å
452	L	89.8	Confident	91	Very high	10 Å²	10	33 Å²	33	5%	0.052	17%	0.17	C	C	.	.	H	α-helix	trans	-64.2	-29.2	176.9	-55.8	177.3	0	0	0	111.8	V444 A447 P449 I454 M455 L456 F541 F546	V444-L452 HydrophobicContact CG2-CD2 3.92Å; A447-L452 HydrophobicContact CB-CD2 4.43Å; P449-L452 PolarHBondContact O-N 3.32Å; L452-I454 VanDerWaalsContact C-N 3.33Å; L452-M455 HydrophobicContact CD2-SD 4.24Å; L452-M455 PolarHBondContact O-N 3.36Å; L452-L456 WeakPolarHBondContact O-CG 3.46Å; L452-L456 PolarHBondContact O-N 3.28Å; L452-F541 HydrophobicContact CD1-CD1 3.88Å; L452-F541 HydrophobicContact CD2-CD1 4.48Å; L452-F546 HydrophobicContact CD2-CE1 4.47Å; L452-F546 HydrophobicContact CD2-CE2 4.15Å; L452-F546 HydrophobicContact CD2-CZ 3.9Å
453	T	88.9	Confident	90.8	Very high	65 Å²	65	36.4 Å²	36.4	40%	0.399	18%	0.183	S	C	.	.	H	α-helix	trans	-65.1	-40	173.8	-40.2	0	0	0	0	111.3	P449 D450 V451 L456 Q457 R543	P449-T453 PolarHBondContact O-N 3.08Å; P449-T453 PolarHBondContact O-OG1 2.9Å; P449-T453 VanDerWaalsContact O-OG1 3.07Å; D450-T453 WeakPolarHBondContact O-CB 3.43Å; D450-T453 PolarHBondContact O-N 2.95Å; D450-T453 PolarHBondContact O-OG1 3.29Å; V451-T453 PolarHBondContact O-N 2.99Å; T453-L456 WeakPolarHBondContact O-CB 3.4Å; T453-Q457 PolarHBondContact O-N 3.39Å; T453-R543 VanDerWaalsContact CA-NH1 3.27Å; T453-R543 PolarHBondContact OG1-NH1 3Å; T453-R543 PolarHBondContact OG1-NH2 2.91Å
454	I	89.9	Confident	90.6	Very high	26 Å²	26	34.1 Å²	34.1	13%	0.133	17%	0.172	C	C	.	.	H	α-helix	trans	-69.3	-41.2	177.9	-66.2	162.1	0	0	0	110.5	V408 F411 I412 D450 V451 L452 L456 Q457 L458 L464	V408-I454 HydrophobicContact CG1-CD1 3.63Å; F411-I454 HydrophobicContact CD1-CG2 3.94Å; F411-I454 HydrophobicContact CE1-CG2 3.73Å; I412-I454 HydrophobicContact CD1-CB 4.19Å; I412-I454 HydrophobicContact CD1-CD1 3.56Å; I412-I454 HydrophobicContact CD1-CG1 3.6Å; I412-I454 HydrophobicContact CD1-CG2 3.57Å; I412-I454 HydrophobicContact CG1-CD1 4.03Å; I412-I454 HydrophobicContact CG1-CG1 4.46Å; I412-I454 HydrophobicContact CG1-CG2 3.91Å; D450-I454 PolarHBondContact O-N 2.82Å; V451-I454 WeakPolarHBondContact O-CB 3.37Å; V451-I454 PolarHBondContact O-N 3.39Å; V451-I454 VanDerWaalsContact O-N 3.11Å; L452-I454 VanDerWaalsContact C-N 3.33Å; I454-L456 VanDerWaalsContact C-N 3.34Å; I454-Q457 PolarHBondContact O-N 3.14Å; I454-L458 PolarHBondContact O-N 2.92Å; I454-L458 VanDerWaalsContact O-N 3.08Å; I454-L464 HydrophobicContact CG2-CD1 3.83Å
455	M	91.6	Very high	90.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-37.6	176.6	-70.9	179.8	171.9	0	0	112.4	M399 F411 F441 V444 V451 L452 L458 F459 M481 F546	M399-M455 HydrophobicContact SD-CE 3.58Å; M399-M455 VanDerWaalsContact SD-CE 3.58Å; F411-M455 HydrophobicContact CE2-CE 4.37Å; F411-M455 HydrophobicContact CZ-CE 3.99Å; F441-M455 HydrophobicContact CB-CE 4.1Å; F441-M455 HydrophobicContact CD1-CE 3.49Å; F441-M455 VanDerWaalsContact CD1-CE 3.49Å; F441-M455 HydrophobicContact CD2-CE 3.64Å; F441-M455 HydrophobicContact CD2-SD 4.43Å; F441-M455 HydrophobicContact CE1-CE 3.71Å; F441-M455 HydrophobicContact CE2-CE 3.81Å; F441-M455 HydrophobicContact CG-CE 3.47Å; F441-M455 VanDerWaalsContact CG-CE 3.47Å; F441-M455 HydrophobicContact CZ-CE 3.86Å; V444-M455 HydrophobicContact CG2-SD 4.29Å; V451-M455 HydrophobicContact CG1-CE 3.95Å; V451-M455 HydrophobicContact CG1-SD 4.45Å; V451-M455 WeakPolarHBondContact O-CG 3.48Å; V451-M455 PolarHBondContact O-N 3.15Å; L452-M455 HydrophobicContact CD2-SD 4.24Å; L452-M455 PolarHBondContact O-N 3.36Å; M455-L458 PolarHBondContact O-N 2.99Å; M455-F459 HydrophobicContact CB-CD2 4.47Å; M455-F459 HydrophobicContact CB-CE2 3.92Å; M455-F459 HydrophobicContact CB-CZ 4.04Å; M455-F459 HydrophobicContact CG-CZ 4.41Å; M455-F459 WeakPolarHBondContact O-CB 3.44Å; M455-F459 VanDerWaalsContact O-CD2 3.29Å; M455-F459 WeakPolarHBondContact O-CD2 3.43Å; M455-F459 WeakPolarHBondContact O-CG 3.45Å; M455-F459 PolarHBondContact O-N 2.96Å; M455-M481 HydrophobicContact SD-SD 4.45Å; M455-F546 HydrophobicContact CB-CE2 4.07Å
456	L	89.6	Confident	90	Very high	16 Å²	16	36.4 Å²	36.4	8%	0.084	19%	0.186	C	C	.	.	H	α-helix	trans	-53.7	-57.2	170.9	-78.8	166.7	0	0	0	110.8	L452 T453 I454 L458 F459 D460 E545 F546 R549	L452-L456 WeakPolarHBondContact O-CG 3.46Å; L452-L456 PolarHBondContact O-N 3.28Å; T453-L456 WeakPolarHBondContact O-CB 3.4Å; I454-L456 VanDerWaalsContact C-N 3.34Å; L456-L458 PolarHBondContact O-N 2.71Å; L456-F459 PolarHBondContact O-N 2.83Å; L456-F459 VanDerWaalsContact O-N 3.09Å; L456-D460 VanDerWaalsContact O-CB 3.29Å; L456-D460 WeakPolarHBondContact O-CB 3.49Å; L456-D460 PolarHBondContact O-N 2.86Å; L456-E545 HydrophobicContact CD2-CB 4.29Å; L456-F546 HydrophobicContact CD2-CB 4.03Å; L456-F546 HydrophobicContact CD2-CD2 4.06Å; L456-F546 HydrophobicContact CG-CD2 4.09Å; L456-R549 HydrophobicContact CD2-CG 4.29Å
457	Q	87.2	Confident	89.4	Confident	81 Å²	81	32.6 Å²	32.6	38%	0.379	17%	0.174	S	C	.	.	H	α-helix	trans	-56.1	-40.3	179.4	-173	179.1	3.3	0	0	112.5	T453 I454 D460 E461	T453-Q457 PolarHBondContact O-N 3.39Å; I454-Q457 PolarHBondContact O-N 3.14Å; Q457-D460 PolarHBondContact O-N 2.81Å; Q457-E461 HydrophobicContact CG-CG 4.18Å; Q457-E461 WeakPolarHBondContact CG-OE2 3.17Å; Q457-E461 PolarHBondContact NE2-OE2 3.03Å; Q457-E461 WeakPolarHBondContact O-CB 3.32Å; Q457-E461 PolarHBondContact O-N 2.7Å
458	L	91.6	Very high	88.8	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.6	-40.6	178.1	176.8	55	0	0	0	113.2	L427 I454 M455 L456 D460 G462 L464 C474 F479	L427-L458 HydrophobicContact CD2-CD2 4.18Å; I454-L458 PolarHBondContact O-N 2.92Å; I454-L458 VanDerWaalsContact O-N 3.08Å; M455-L458 PolarHBondContact O-N 2.99Å; L456-L458 PolarHBondContact O-N 2.71Å; L458-D460 VanDerWaalsContact C-N 3.33Å; L458-G462 WeakPolarHBondContact O-CA 3.35Å; L458-G462 PolarHBondContact O-N 2.87Å; L458-L464 HydrophobicContact CD1-CB 4.18Å; L458-C474 HydrophobicContact CD1-CB 3.95Å; L458-F479 HydrophobicContact CD1-CE2 4.35Å; L458-F479 HydrophobicContact CD1-CZ 3.95Å; L458-F479 HydrophobicContact CD2-CD1 4.46Å; L458-F479 HydrophobicContact CD2-CE1 3.72Å; L458-F479 HydrophobicContact CD2-CE2 4.42Å; L458-F479 HydrophobicContact CD2-CZ 3.7Å; L458-F479 HydrophobicContact CG-CE1 4.41Å; L458-F479 HydrophobicContact CG-CE2 4.24Å; L458-F479 HydrophobicContact CG-CZ 3.93Å
459	F	91.8	Very high	88.3	Confident	5 Å²	5	37.4 Å²	37.4	2%	0.022	21%	0.207	C	C	.	.	H	α-helix	trans	-77.4	-22.6	178.3	-56	-22	0	0	0	112.2	H361 P362 V364 F441 M455 L456 F479 M481 F546 R549	H361-F459 PolarHBondContact CD2-O 3.03Å; P362-F459 HydrophobicContact CG-CD1 4.49Å; V364-F459 HydrophobicContact CG1-CD1 4.46Å; V364-F459 HydrophobicContact CG1-CD2 4.1Å; V364-F459 HydrophobicContact CG1-CE1 4.24Å; V364-F459 HydrophobicContact CG1-CE2 3.85Å; V364-F459 HydrophobicContact CG1-CG 4.41Å; V364-F459 HydrophobicContact CG1-CZ 3.94Å; V364-F459 HydrophobicContact CG2-CB 4.13Å; V364-F459 HydrophobicContact CG2-CD1 3.5Å; V364-F459 VanDerWaalsContact CG2-CD1 3.5Å; V364-F459 HydrophobicContact CG2-CD2 4.19Å; V364-F459 HydrophobicContact CG2-CE1 3.91Å; V364-F459 HydrophobicContact CG2-CG 3.68Å; V364-F459 HydrophobicContact CG2-CZ 4.41Å; F441-F459 HydrophobicContact CE2-CE1 4.49Å; F441-F459 HydrophobicContact CE2-CZ 4.36Å; M455-F459 HydrophobicContact CB-CD2 4.47Å; M455-F459 HydrophobicContact CB-CE2 3.92Å; M455-F459 HydrophobicContact CB-CZ 4.04Å; M455-F459 HydrophobicContact CG-CZ 4.41Å; M455-F459 WeakPolarHBondContact O-CB 3.44Å; M455-F459 VanDerWaalsContact O-CD2 3.29Å; M455-F459 WeakPolarHBondContact O-CD2 3.43Å; M455-F459 WeakPolarHBondContact O-CG 3.45Å; M455-F459 PolarHBondContact O-N 2.96Å; L456-F459 PolarHBondContact O-N 2.83Å; L456-F459 VanDerWaalsContact O-N 3.09Å; F459-F479 HydrophobicContact CD1-CD2 4.17Å; F459-F479 HydrophobicContact CD1-CG 4.4Å; F459-F479 HydrophobicContact CE1-CB 3.83Å; F459-F479 HydrophobicContact CE1-CD1 4.19Å; F459-F479 AromaticContact CE1-CD2 3.93Å; F459-F479 HydrophobicContact CE1-CD2 3.93Å; F459-F479 AromaticContact CE1-CG 3.7Å; F459-F479 HydrophobicContact CE1-CG 3.7Å; F459-F479 HydrophobicContact CZ-CB 4.37Å; F459-M481 HydrophobicContact CE2-CE 3.97Å; F459-M481 HydrophobicContact CE2-SD 3.91Å; F459-M481 HydrophobicContact CZ-CE 4.34Å; F459-M481 HydrophobicContact CZ-SD 3.97Å; F459-F546 HydrophobicContact CD2-CE2 4.44Å; F459-F546 AromaticContact CE2-CE2 3.95Å; F459-F546 HydrophobicContact CE2-CE2 3.95Å; F459-F546 HydrophobicContact CE2-CZ 4.4Å; F459-R549 HydrophobicContact CB-CB 4.12Å
460	D	87.8	Confident	88.1	Confident	47 Å²	47	39.8 Å²	39.8	25%	0.251	21%	0.211	S	C	.	.	H	α-helix	trans	-87.3	-44.7	-178.6	-69.3	13.1	0	0	0	113.1	H361 L456 Q457 L458 R549	H361-D460 PolarHBondContact CD2-O 2.77Å; H361-D460 PolarHBondContact NE2-O 3.43Å; L456-D460 VanDerWaalsContact O-CB 3.29Å; L456-D460 WeakPolarHBondContact O-CB 3.49Å; L456-D460 PolarHBondContact O-N 2.86Å; Q457-D460 PolarHBondContact O-N 2.81Å; L458-D460 VanDerWaalsContact C-N 3.33Å; D460-R549 VanDerWaalsContact CG-NE 3.35Å; D460-R549 WeakPolarHBondContact OD1-CD 3.28Å; D460-R549 WeakPolarHBondContact OD1-CG 3.34Å; D460-R549 IonicContact OD1-CZ 3.32Å; D460-R549 IonicContact OD1-NE 3.72Å; D460-R549 PolarHBondContact OD1-NE 3.4Å; D460-R549 IonicContact OD1-NH1 2.82Å; D460-R549 IonicContact OD1-NH2 3.23Å; D460-R549 PolarHBondContact OD1-NH2 2.79Å; D460-R549 IonicContact OD2-CZ 3.69Å; D460-R549 IonicContact OD2-NE 2.79Å; D460-R549 PolarHBondContact OD2-NE 3.08Å; D460-R549 IonicContact OD2-NH2 3.68Å; D460-R549 PolarHBondContact OD2-NH2 2.78Å
461	E	88.1	Confident	88.1	Confident	96 Å²	96	41.2 Å²	41.2	45%	0.449	22%	0.221	S	C	.	.	H	α-helix	trans	-101.5	-8.3	-173.9	-60	-178.5	166.5	0	0	112.8	Q457 R463	Q457-E461 HydrophobicContact CG-CG 4.18Å; Q457-E461 WeakPolarHBondContact CG-OE2 3.17Å; Q457-E461 PolarHBondContact NE2-OE2 3.03Å; Q457-E461 WeakPolarHBondContact O-CB 3.32Å; Q457-E461 PolarHBondContact O-N 2.7Å; E461-R463 HydrophobicContact CB-CB 4.2Å; E461-R463 VanDerWaalsContact O-CG 3.31Å; E461-R463 WeakPolarHBondContact O-CG 3.32Å; E461-R463 PolarHBondContact O-N 2.66Å; E461-R463 VanDerWaalsContact O-N 3.14Å
462	G	88.8	Confident	87.9	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	59.3	21	-170.9	0	0	0	0	0	113.3	L458 C474 K475	L458-G462 WeakPolarHBondContact O-CA 3.35Å; L458-G462 PolarHBondContact O-N 2.87Å; G462-C474 PolarHBondContact O-N 2.87Å; G462-K475 PolarHBondContact O-N 3.05Å
463	R	91	Very high	88	Confident	81 Å²	81	46.8 Å²	46.8	31%	0.306	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	147.6	-169.4	-70.9	164.5	-173.2	-81.9	-10.9	110.5	E461 I472 E473	E461-R463 HydrophobicContact CB-CB 4.2Å; E461-R463 VanDerWaalsContact O-CG 3.31Å; E461-R463 WeakPolarHBondContact O-CG 3.32Å; E461-R463 PolarHBondContact O-N 2.66Å; E461-R463 VanDerWaalsContact O-N 3.14Å; R463-I472 CarbonylContact C-O 3.58Å; R463-I472 VanDerWaalsContact CA-O 3.28Å; R463-I472 WeakPolarHBondContact CA-O 3.41Å; R463-E473 HydrophobicContact CG-CG 4.27Å; R463-E473 IonicContact CZ-OE1 3.48Å; R463-E473 IonicContact NH1-OE1 3.92Å; R463-E473 PolarHBondContact NH1-OE1 2.89Å; R463-E473 IonicContact NH2-OE1 2.74Å; R463-E473 PolarHBondContact NH2-OE1 2.71Å
464	L	90.1	Very high	88.1	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	133	171.9	-168	59.9	0	0	0	110.2	I412 L427 T428 I454 L458 T471 I472	I412-L464 HydrophobicContact CD1-CD1 4.36Å; I412-L464 HydrophobicContact CG1-CD1 4.33Å; L427-L464 HydrophobicContact CB-CD2 4.39Å; L427-L464 HydrophobicContact CD2-CD2 3.79Å; L427-L464 HydrophobicContact CG-CD2 4.02Å; T428-L464 HydrophobicContact CG2-CD2 3.58Å; T428-L464 HydrophobicContact CG2-CG 3.85Å; I454-L464 HydrophobicContact CG2-CD1 3.83Å; L458-L464 HydrophobicContact CD1-CB 4.18Å; L464-T471 CarbonylContact O-C 3.49Å; L464-T471 WeakPolarHBondContact O-CA 3.49Å; L464-I472 PolarHBondContact N-O 3.1Å; L464-I472 PolarHBondContact O-N 2.91Å
465	T	87.4	Confident	88.2	Confident	48 Å²	48	44.2 Å²	44.2	29%	0.294	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	121.6	175.9	-52.1	0	0	0	0	109.7	I412 T471	I412-T465 WeakPolarHBondContact CG2-O 3.48Å; T465-T471 HydrophobicContact CG2-CG2 4.26Å; T465-T471 VanDerWaalsContact OG1-CG2 3.27Å; T465-T471 WeakPolarHBondContact OG1-CG2 3.24Å
466	D	86.4	Confident	88.1	Confident	17 Å²	17	48.7 Å²	48.7	9%	0.091	25%	0.254	C	S	.	.			trans	-67.5	158.7	173.7	-164.1	-70	0	0	0	111.4	I412 G424 G425 T428 K468 G469 K470	I412-D466 VanDerWaalsContact O-CG 3.3Å; G424-D466 VanDerWaalsContact CA-OD1 3.3Å; G424-D466 WeakPolarHBondContact CA-OD1 3.48Å; G425-D466 PolarHBondContact N-OD2 3.38Å; T428-D466 WeakPolarHBondContact CB-OD2 3.3Å; T428-D466 HydrophobicContact CG2-CB 4.01Å; T428-D466 PolarHBondContact OG1-OD2 3.21Å; D466-K468 PolarHBondContact O-N 3.12Å; D466-K468 PolarHBondContact OD1-N 3.1Å; D466-G469 WeakPolarHBondContact O-CA 3.45Å; D466-G469 PolarHBondContact O-N 2.83Å; D466-K470 HydrophobicContact CB-CB 4.38Å; D466-K470 PolarHBondContact N-O 3.11Å
467	G	80	Confident	88.3	Confident	16 Å²	16	47.9 Å²	47.9	17%	0.165	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-22	173.6	0	0	0	0	0	114	I412 P416 G469	I412-G467 PolarHBondContact O-N 3.14Å; P416-G467 WeakPolarHBondContact CD-O 3.47Å; G467-G469 VanDerWaalsContact C-N 3.28Å; G467-G469 PolarHBondContact O-N 3.37Å
468	K	80.4	Confident	88.7	Confident	106 Å²	106	44.1 Å²	44.1	46%	0.461	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-1	170.7	-63.2	-175.1	177.5	-172.8	0	115.6	H421 E422 D466 K470	H421-K468 WeakPolarHBondContact O-CE 3.36Å; E422-K468 VanDerWaalsContact C-CE 3.49Å; E422-K468 VanDerWaalsContact O-CE 3.26Å; E422-K468 WeakPolarHBondContact O-CE 3.31Å; E422-K468 PolarHBondContact O-NZ 3.34Å; D466-K468 PolarHBondContact O-N 3.12Å; D466-K468 PolarHBondContact OD1-N 3.1Å; K468-K470 VanDerWaalsContact C-N 3.3Å; K468-K470 PolarHBondContact O-N 3.5Å
469	G	82.3	Confident	88.9	Confident	55 Å²	55	44.1 Å²	44.1	57%	0.567	23%	0.232	S	C	*	.	S	Bend	trans	75.8	11.6	-171.6	0	0	0	0	0	114.7	D466 G467	D466-G469 WeakPolarHBondContact O-CA 3.45Å; D466-G469 PolarHBondContact O-N 2.83Å; G467-G469 VanDerWaalsContact C-N 3.28Å; G467-G469 PolarHBondContact O-N 3.37Å
470	K	85.1	Confident	89.2	Confident	113 Å²	113	43.9 Å²	43.9	49%	0.491	23%	0.231	S	C	.	.			trans	-85.4	115.6	176.4	-175	177.2	178.6	72.7	0	110.4	D466 K468	D466-K470 HydrophobicContact CB-CB 4.38Å; D466-K470 PolarHBondContact N-O 3.11Å; K468-K470 VanDerWaalsContact C-N 3.3Å; K468-K470 PolarHBondContact O-N 3.5Å
471	T	89.5	Confident	89.7	Confident	81 Å²	81	41.7 Å²	41.7	50%	0.497	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	146.3	170.4	35.4	0	0	0	0	112.5	L464 T465	L464-T471 CarbonylContact O-C 3.49Å; L464-T471 WeakPolarHBondContact O-CA 3.49Å; T465-T471 HydrophobicContact CG2-CG2 4.26Å; T465-T471 VanDerWaalsContact OG1-CG2 3.27Å; T465-T471 WeakPolarHBondContact OG1-CG2 3.24Å
472	I	89.6	Confident	90.1	Very high	18 Å²	18	37.2 Å²	37.2	9%	0.092	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131.3	174	-56.4	175	0	0	0	107.4	T428 L431 K432 R463 L464	T428-I472 HydrophobicContact CG2-CD1 4.18Å; T428-I472 WeakPolarHBondContact O-CD1 3.44Å; L431-I472 HydrophobicContact CB-CG2 4.39Å; K432-I472 HydrophobicContact CB-CD1 3.99Å; R463-I472 CarbonylContact C-O 3.58Å; R463-I472 VanDerWaalsContact CA-O 3.28Å; R463-I472 WeakPolarHBondContact CA-O 3.41Å; L464-I472 PolarHBondContact N-O 3.1Å; L464-I472 PolarHBondContact O-N 2.91Å
473	E	91.7	Very high	90.4	Very high	110 Å²	110	37.2 Å²	37.2	51%	0.514	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	129.7	174.9	-61.6	-177.2	173.6	0	0	109.5	R463	R463-E473 HydrophobicContact CG-CG 4.27Å; R463-E473 IonicContact CZ-OE1 3.48Å; R463-E473 IonicContact NH1-OE1 3.92Å; R463-E473 PolarHBondContact NH1-OE1 2.89Å; R463-E473 IonicContact NH2-OE1 2.74Å; R463-E473 PolarHBondContact NH2-OE1 2.71Å
474	C	90	Very high	90.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.007	19%	0.194	C	C	.	.			trans	-131.2	13.8	-168.5	-55.1	0	0	0	0	112.3	L458 G462 D476 A477 F479	L458-C474 HydrophobicContact CD1-CB 3.95Å; G462-C474 PolarHBondContact O-N 2.87Å; C474-D476 VanDerWaalsContact C-N 3.27Å; C474-D476 PolarHBondContact O-N 3.38Å; C474-A477 WeakPolarHBondContact O-CB 3.23Å; C474-A477 PolarHBondContact O-N 3.47Å; C474-F479 HydrophobicContact CB-CZ 4.24Å
475	K	91.1	Very high	90.5	Very high	36 Å²	36	35.9 Å²	35.9	16%	0.157	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-41.6	-178.8	-64.8	174.4	159.2	-165.7	0	113.1	K352 E359 E360 P362 G462 A477	K352-K475 PolarHBondContact NZ-O 3.05Å; E359-K475 WeakPolarHBondContact O-CD 3.45Å; E360-K475 WeakPolarHBondContact O-CE 3.33Å; E360-K475 IonicContact OE1-NZ 3.67Å; E360-K475 PolarHBondContact OE1-NZ 3.12Å; E360-K475 WeakPolarHBondContact OE2-CE 3.28Å; E360-K475 IonicContact OE2-NZ 2.84Å; E360-K475 PolarHBondContact OE2-NZ 3.27Å; P362-K475 WeakPolarHBondContact CA-O 3.48Å; G462-K475 PolarHBondContact O-N 3.05Å; K475-A477 VanDerWaalsContact C-N 3.28Å; K475-A477 PolarHBondContact O-N 2.95Å
476	D	90.6	Very high	90.7	Very high	93 Å²	93	34 Å²	34	50%	0.497	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-13.9	179.1	-70.6	-40.7	0	0	0	114.2	K352 N436 C474	K352-D476 PolarHBondContact NZ-O 3.12Å; N436-D476 HydrophobicContact CB-CB 3.8Å; C474-D476 VanDerWaalsContact C-N 3.27Å; C474-D476 PolarHBondContact O-N 3.38Å
477	A	93.6	Very high	90.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.193	C	C	.	.			trans	-63.5	162.4	177.7	0	0	0	0	0	112.3	K352 L431 A437 C474 K475 F479	K352-A477 PolarHBondContact NZ-O 2.85Å; L431-A477 HydrophobicContact CD2-CB 4.46Å; A437-A477 WeakPolarHBondContact O-CA 3.37Å; A437-A477 WeakPolarHBondContact O-CB 3.48Å; C474-A477 WeakPolarHBondContact O-CB 3.23Å; C474-A477 PolarHBondContact O-N 3.47Å; K475-A477 VanDerWaalsContact C-N 3.28Å; K475-A477 PolarHBondContact O-N 2.95Å; A477-F479 HydrophobicContact CB-CD2 4.45Å; A477-F479 HydrophobicContact CB-CE2 3.76Å; A477-F479 HydrophobicContact CB-CZ 3.8Å
478	I	95.6	Very high	91.4	Very high	2 Å²	2	39 Å²	39	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	116.6	168.8	-58.4	177.7	0	0	0	107.4	I349 L363 F365 M386 A437 V438 V439 I480	I349-I478 HydrophobicContact CG1-CD1 4.34Å; L363-I478 HydrophobicContact CB-CG1 4.49Å; L363-I478 CarbonylContact O-C 3.57Å; L363-I478 WeakPolarHBondContact O-CA 3.43Å; F365-I478 HydrophobicContact CD2-CG2 3.86Å; F365-I478 HydrophobicContact CE2-CG2 3.66Å; M386-I478 HydrophobicContact CG-CD1 4.39Å; A437-I478 PolarHBondContact O-N 3.47Å; A437-I478 VanDerWaalsContact O-N 3.14Å; V438-I478 CarbonylContact C-O 3.55Å; V438-I478 WeakPolarHBondContact CA-O 3.25Å; V438-I478 HydrophobicContact CG2-CB 4.34Å; V439-I478 PolarHBondContact N-O 3.08Å; I478-I480 HydrophobicContact CG2-CG1 4.23Å
479	F	96.6	Very high	92	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.8	177.2	-62.9	-77.9	0	0	0	109.7	P362 L363 V364 F365 L431 V439 F441 L458 F459 C474 A477	P362-F479 HydrophobicContact CB-CD2 3.73Å; P362-F479 HydrophobicContact CB-CE2 3.56Å; P362-F479 HydrophobicContact CG-CD2 3.93Å; P362-F479 HydrophobicContact CG-CE2 3.77Å; L363-F479 PolarHBondContact O-N 2.81Å; V364-F479 CarbonylContact C-O 3.11Å; V364-F479 WeakPolarHBondContact CA-O 3.29Å; V364-F479 HydrophobicContact CG2-CB 4.31Å; V364-F479 HydrophobicContact CG2-CD2 4.42Å; F365-F479 PolarHBondContact N-O 2.94Å; L431-F479 HydrophobicContact CD1-CE1 4.47Å; L431-F479 HydrophobicContact CD1-CZ 4.45Å; V439-F479 HydrophobicContact CB-CD1 3.61Å; V439-F479 HydrophobicContact CB-CE1 3.83Å; V439-F479 HydrophobicContact CG1-CD1 3.95Å; V439-F479 HydrophobicContact CG1-CE1 4.11Å; V439-F479 HydrophobicContact CG2-CD1 4.04Å; V439-F479 HydrophobicContact CG2-CE1 3.74Å; F441-F479 HydrophobicContact CE2-CB 4.45Å; F441-F479 AromaticContact CE2-CD1 3.54Å; F441-F479 HydrophobicContact CE2-CD1 3.54Å; F441-F479 HydrophobicContact CE2-CE1 4.25Å; F441-F479 HydrophobicContact CE2-CG 4.36Å; F441-F479 AromaticContact CZ-CD1 3.97Å; F441-F479 HydrophobicContact CZ-CD1 3.97Å; F441-F479 HydrophobicContact CZ-CE1 4.26Å; L458-F479 HydrophobicContact CD1-CE2 4.35Å; L458-F479 HydrophobicContact CD1-CZ 3.95Å; L458-F479 HydrophobicContact CD2-CD1 4.46Å; L458-F479 HydrophobicContact CD2-CE1 3.72Å; L458-F479 HydrophobicContact CD2-CE2 4.42Å; L458-F479 HydrophobicContact CD2-CZ 3.7Å; L458-F479 HydrophobicContact CG-CE1 4.41Å; L458-F479 HydrophobicContact CG-CE2 4.24Å; L458-F479 HydrophobicContact CG-CZ 3.93Å; F459-F479 HydrophobicContact CD1-CD2 4.17Å; F459-F479 HydrophobicContact CD1-CG 4.4Å; F459-F479 HydrophobicContact CE1-CB 3.83Å; F459-F479 HydrophobicContact CE1-CD1 4.19Å; F459-F479 AromaticContact CE1-CD2 3.93Å; F459-F479 HydrophobicContact CE1-CD2 3.93Å; F459-F479 AromaticContact CE1-CG 3.7Å; F459-F479 HydrophobicContact CE1-CG 3.7Å; F459-F479 HydrophobicContact CZ-CB 4.37Å; C474-F479 HydrophobicContact CB-CZ 4.24Å; A477-F479 HydrophobicContact CB-CD2 4.45Å; A477-F479 HydrophobicContact CB-CE2 3.76Å; A477-F479 HydrophobicContact CB-CZ 3.8Å
480	I	97.9	Very high	92.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	118.9	176	-59.7	174.7	0	0	0	107.1	F365 F367 A379 V438 V439 L440 F441 I478	F365-I480 HydrophobicContact CB-CG1 4.39Å; F365-I480 HydrophobicContact CD2-CG1 4.02Å; F367-I480 HydrophobicContact CD1-CG2 3.95Å; F367-I480 HydrophobicContact CD2-CG2 3.56Å; F367-I480 HydrophobicContact CE1-CG2 3.84Å; F367-I480 HydrophobicContact CE2-CD1 4.44Å; F367-I480 HydrophobicContact CE2-CG2 3.44Å; F367-I480 VanDerWaalsContact CE2-CG2 3.44Å; F367-I480 HydrophobicContact CG-CG2 3.84Å; F367-I480 HydrophobicContact CZ-CD1 4.1Å; F367-I480 HydrophobicContact CZ-CG1 4.38Å; F367-I480 HydrophobicContact CZ-CG2 3.58Å; A379-I480 HydrophobicContact CB-CD1 3.69Å; A379-I480 HydrophobicContact CB-CG2 4.22Å; V438-I480 HydrophobicContact CG1-CD1 3.78Å; V438-I480 HydrophobicContact CG1-CG1 4.44Å; V439-I480 PolarHBondContact O-N 2.92Å; L440-I480 CarbonylContact C-O 3.55Å; L440-I480 VanDerWaalsContact CA-O 3.32Å; L440-I480 WeakPolarHBondContact CA-O 3.43Å; L440-I480 HydrophobicContact CD1-CB 3.93Å; L440-I480 HydrophobicContact CD1-CG2 3.64Å; L440-I480 WeakPolarHBondContact CD1-O 3.3Å; F441-I480 PolarHBondContact N-O 3.44Å; I478-I480 HydrophobicContact CG2-CG1 4.23Å
481	M	97.1	Very high	92.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	135.2	173	-62.8	-179.2	-69	0	0	108.9	V364 F365 L366 F367 F441 V444 M455 F459 F546 I550	V364-M481 HydrophobicContact CG1-CE 3.69Å; F365-M481 PolarHBondContact O-N 3.33Å; L366-M481 HydrophobicContact CB-CE 4.44Å; L366-M481 HydrophobicContact CD1-CB 3.88Å; F367-M481 WeakPolarHBondContact CB-O 3.41Å; F367-M481 PolarHBondContact N-O 3.25Å; F441-M481 HydrophobicContact CB-CG 4.17Å; F441-M481 HydrophobicContact CD2-CG 3.93Å; F441-M481 CarbonylContact O-C 3.13Å; F441-M481 WeakPolarHBondContact O-CA 3.43Å; V444-M481 HydrophobicContact CB-CB 4.46Å; V444-M481 HydrophobicContact CG1-CB 4.1Å; V444-M481 HydrophobicContact CG2-SD 4.35Å; M455-M481 HydrophobicContact SD-SD 4.45Å; F459-M481 HydrophobicContact CE2-CE 3.97Å; F459-M481 HydrophobicContact CE2-SD 3.91Å; F459-M481 HydrophobicContact CZ-CE 4.34Å; F459-M481 HydrophobicContact CZ-SD 3.97Å; M481-F546 HydrophobicContact CE-CE1 4.25Å; M481-F546 HydrophobicContact CE-CZ 3.94Å; M481-F546 HydrophobicContact SD-CE1 4.25Å; M481-F546 HydrophobicContact SD-CE2 4.37Å; M481-F546 HydrophobicContact SD-CZ 3.53Å; M481-F546 VanDerWaalsContact SD-CZ 3.53Å; M481-I550 HydrophobicContact CE-CD1 3.83Å; M481-I550 HydrophobicContact CE-CG1 3.76Å
482	T	96.5	Very high	92.6	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.012	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	139.4	169.3	84	0	0	0	0	109.9	F367 K375 L440 F441 D442 E443 V444	F367-T482 HydrophobicContact CB-CG2 4.48Å; K375-T482 HydrophobicContact CB-CG2 4.04Å; L440-T482 HydrophobicContact CD1-CG2 3.57Å; L440-T482 HydrophobicContact CG-CG2 4.49Å; F441-T482 PolarHBondContact O-N 3.04Å; D442-T482 WeakPolarHBondContact CA-OG1 3.38Å; D442-T482 WeakPolarHBondContact OD1-CG2 3.31Å; D442-T482 PolarHBondContact OD1-OG1 2.92Å; E443-T482 CarbonylContact C-O 3.56Å; E443-T482 WeakPolarHBondContact CA-O 3.45Å; E443-T482 PolarHBondContact N-O 3.17Å; E443-T482 PolarHBondContact N-OG1 3.26Å; V444-T482 PolarHBondContact N-O 2.98Å
483	S	94.9	Very high	92.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	149	171.1	-178.3	0	0	0	0	111.6	F367 K375 D445 V485	F367-S483 PolarHBondContact O-N 2.99Å; K375-S483 PolarHBondContact NZ-O 3.19Å; D445-S483 WeakPolarHBondContact CB-OG 3.19Å; D445-S483 WeakPolarHBondContact OD1-CA 3.43Å; D445-S483 WeakPolarHBondContact OD1-CB 3.34Å; D445-S483 PolarHBondContact OD1-OG 2.82Å; S483-V485 WeakPolarHBondContact OG-CB 3.19Å; S483-V485 VanDerWaalsContact OG-CG2 3.3Å; S483-V485 WeakPolarHBondContact OG-CG2 3.45Å; S483-V485 PolarHBondContact OG-N 2.91Å; S483-V485 VanDerWaalsContact OG-N 3.13Å
484	N	92.5	Very high	92.5	Very high	39 Å²	39	25.1 Å²	25.1	21%	0.209	13%	0.13	C	C	.	.			trans	-94.6	2.2	173	-59.5	-43.8	0	0	0	112.3	K375 D445 S487	K375-N484 PolarHBondContact NZ-OD1 2.72Å; D445-N484 PolarHBondContact OD1-N 2.78Å; N484-S487 WeakPolarHBondContact O-CB 3.09Å; N484-S487 PolarHBondContact O-N 3.4Å; N484-S487 PolarHBondContact O-OG 2.85Å
485	V	92.3	Very high	92.4	Very high	16 Å²	16	28.5 Å²	28.5	10%	0.097	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	141.9	177.3	172.9	0	0	0	0	111.1	D445 S483 S487 I536 L537 H540	D445-V485 HydrophobicContact CB-CG2 3.55Å; S483-V485 WeakPolarHBondContact OG-CB 3.19Å; S483-V485 VanDerWaalsContact OG-CG2 3.3Å; S483-V485 WeakPolarHBondContact OG-CG2 3.45Å; S483-V485 PolarHBondContact OG-N 2.91Å; S483-V485 VanDerWaalsContact OG-N 3.13Å; V485-S487 PolarHBondContact O-N 3.5Å; V485-S487 VanDerWaalsContact O-N 3.09Å; V485-I536 HydrophobicContact CG1-CG2 3.58Å; V485-L537 HydrophobicContact CG1-CD2 4.06Å; V485-H540 HydrophobicContact CG1-CB 4.29Å; V485-H540 HydrophobicContact CG2-CB 4.43Å
486	A	90.4	Very high	92.3	Very high	9 Å²	9	31.5 Å²	31.5	7%	0.074	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	16.8	-174.9	0	0	0	0	0	115.2	E488 D489 I490 I533 I536	A486-E488 VanDerWaalsContact C-N 3.3Å; A486-E488 PolarHBondContact O-N 2.81Å; A486-D489 PolarHBondContact O-N 3.28Å; A486-I490 HydrophobicContact CB-CD1 4.43Å; A486-I490 WeakPolarHBondContact O-CB 3.38Å; A486-I490 WeakPolarHBondContact O-CD1 3.42Å; A486-I490 WeakPolarHBondContact O-CG1 3.42Å; A486-I490 PolarHBondContact O-N 3.26Å; A486-I533 HydrophobicContact CB-CD1 3.6Å; A486-I536 HydrophobicContact CB-CB 4.43Å; A486-I536 HydrophobicContact CB-CD1 3.97Å; A486-I536 HydrophobicContact CB-CG2 4.07Å
487	S	90.8	Very high	92.1	Very high	28 Å²	28	28.8 Å²	28.8	20%	0.196	15%	0.147	C	C	.	.	H	α-helix	trans	-63.6	-34.3	-177.7	52.2	0	0	0	0	113.2	G369 N484 V485 A491	G369-S487 VanDerWaalsContact C-CB 3.5Å; N484-S487 WeakPolarHBondContact O-CB 3.09Å; N484-S487 PolarHBondContact O-N 3.4Å; N484-S487 PolarHBondContact O-OG 2.85Å; V485-S487 PolarHBondContact O-N 3.5Å; V485-S487 VanDerWaalsContact O-N 3.09Å; S487-A491 WeakPolarHBondContact O-CB 3.35Å; S487-A491 PolarHBondContact O-N 3.25Å
488	E	90.4	Very high	91.7	Very high	111 Å²	111	30.4 Å²	30.4	52%	0.519	15%	0.154	S	C	.	.	H	α-helix	trans	-68.6	-48.8	176.6	-175.8	166.4	-174.2	0	0	111.8	A486 I490 A491 Q492	A486-E488 VanDerWaalsContact C-N 3.3Å; A486-E488 PolarHBondContact O-N 2.81Å; E488-I490 PolarHBondContact O-N 3.39Å; E488-A491 PolarHBondContact O-N 3.11Å; E488-A491 VanDerWaalsContact O-N 3.1Å; E488-Q492 HydrophobicContact CG-CG 4.43Å; E488-Q492 WeakPolarHBondContact O-CG 3.23Å; E488-Q492 PolarHBondContact O-N 3.35Å; E488-Q492 PolarHBondContact OE1-NE2 3.04Å
489	D	92.7	Very high	91.3	Very high	61 Å²	61	36.1 Å²	36.1	33%	0.326	18%	0.18	S	C	.	.	H	α-helix	trans	-59.5	-45.7	177.2	-48.3	-93.1	0	0	0	111.5	A486 A491 Q492 H493 F528 V532	A486-D489 PolarHBondContact O-N 3.28Å; D489-A491 VanDerWaalsContact C-N 3.28Å; D489-A491 PolarHBondContact O-N 3.48Å; D489-Q492 PolarHBondContact O-N 3.14Å; D489-H493 VanDerWaalsContact O-CB 3.31Å; D489-H493 WeakPolarHBondContact O-CB 3.49Å; D489-H493 PolarHBondContact O-N 2.87Å; D489-F528 HydrophobicContact CB-CZ 4.12Å; D489-F528 WeakPolarHBondContact O-CZ 3.25Å; D489-V532 HydrophobicContact CB-CG1 4.04Å
490	I	91.1	Very high	90.8	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-58.5	-43.1	175.5	-68.5	165.3	0	0	0	110.2	L368 A486 E488 A494 I524 F528 I533 Y555 L557	L368-I490 HydrophobicContact CB-CD1 3.82Å; A486-I490 HydrophobicContact CB-CD1 4.43Å; A486-I490 WeakPolarHBondContact O-CB 3.38Å; A486-I490 WeakPolarHBondContact O-CD1 3.42Å; A486-I490 WeakPolarHBondContact O-CG1 3.42Å; A486-I490 PolarHBondContact O-N 3.26Å; E488-I490 PolarHBondContact O-N 3.39Å; I490-A494 WeakPolarHBondContact O-CB 3.43Å; I490-A494 PolarHBondContact O-N 3.1Å; I490-I524 HydrophobicContact CG2-CD1 4.14Å; I490-F528 HydrophobicContact CG1-CE1 4.37Å; I490-I533 HydrophobicContact CD1-CD1 4.11Å; I490-I533 HydrophobicContact CG1-CD1 3.64Å; I490-Y555 HydrophobicContact CD1-CD1 4.01Å; I490-Y555 HydrophobicContact CG1-CD1 4.41Å; I490-L557 HydrophobicContact CG2-CD2 4.15Å
491	A	89.1	Confident	90.1	Very high	2 Å²	2	44.2 Å²	44.2	2%	0.017	23%	0.226	C	C	.	.	H	α-helix	trans	-69.8	-44.1	-178.4	0	0	0	0	0	112.7	S487 E488 D489 A494 L495 P558 L603	S487-A491 WeakPolarHBondContact O-CB 3.35Å; S487-A491 PolarHBondContact O-N 3.25Å; E488-A491 PolarHBondContact O-N 3.11Å; E488-A491 VanDerWaalsContact O-N 3.1Å; D489-A491 VanDerWaalsContact C-N 3.28Å; D489-A491 PolarHBondContact O-N 3.48Å; A491-A494 PolarHBondContact O-N 3.41Å; A491-L495 WeakPolarHBondContact O-CG 3.33Å; A491-L495 PolarHBondContact O-N 3.43Å; A491-P558 HydrophobicContact CB-CG 3.61Å; A491-L603 HydrophobicContact CB-CD1 4.1Å; A491-L603 HydrophobicContact CB-CD2 3.99Å; A491-L603 HydrophobicContact CB-CG 4.11Å
492	Q	90.4	Very high	89.4	Confident	95 Å²	95	49.5 Å²	49.5	44%	0.444	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-47.7	176.8	-68.9	-177.9	15	0	0	111.3	E488 D489 A494 L495 Q496	E488-Q492 HydrophobicContact CG-CG 4.43Å; E488-Q492 WeakPolarHBondContact O-CG 3.23Å; E488-Q492 PolarHBondContact O-N 3.35Å; E488-Q492 PolarHBondContact OE1-NE2 3.04Å; D489-Q492 PolarHBondContact O-N 3.14Å; Q492-A494 VanDerWaalsContact C-N 3.34Å; Q492-A494 PolarHBondContact O-N 3.18Å; Q492-L495 PolarHBondContact O-N 3.19Å; Q492-Q496 WeakPolarHBondContact O-CG 3.49Å; Q492-Q496 PolarHBondContact O-N 3.38Å
493	H	90	Very high	88.8	Confident	28 Å²	28	53.9 Å²	53.9	13%	0.13	27%	0.272	C	S	.	.	H	α-helix	trans	-64.5	-36.4	177.6	-176.4	-102.1	0	0	0	112.3	D489 L495 Q496 L497 F528	D489-H493 VanDerWaalsContact O-CB 3.31Å; D489-H493 WeakPolarHBondContact O-CB 3.49Å; D489-H493 PolarHBondContact O-N 2.87Å; H493-L495 VanDerWaalsContact C-N 3.34Å; H493-L495 PolarHBondContact O-N 3.03Å; H493-Q496 PolarHBondContact O-N 3.39Å; H493-L497 WeakPolarHBondContact O-CG 3.49Å; H493-L497 PolarHBondContact O-N 3.38Å; H493-F528 HydrophobicContact CB-CD2 4.11Å; H493-F528 HydrophobicContact CB-CE1 4.26Å; H493-F528 HydrophobicContact CB-CE2 3.53Å; H493-F528 HydrophobicContact CB-CZ 3.62Å; H493-F528 AromaticContact CD2-CD2 3.42Å; H493-F528 VanDerWaalsContact CD2-CD2 3.42Å; H493-F528 WeakPolarHBondContact CD2-CD2 3.4Å; H493-F528 AromaticContact CD2-CE2 3.75Å; H493-F528 AromaticContact CD2-CG 3.97Å; H493-F528 AromaticContact CE1-CD2 3.96Å; H493-F528 AromaticContact CE1-CG 3.7Å; H493-F528 AromaticContact CG-CD2 3.59Å; H493-F528 AromaticContact CG-CE2 3.57Å; H493-F528 AromaticContact CG-CG 3.97Å; H493-F528 AromaticContact CG-CZ 3.91Å; H493-F528 AromaticContact ND1-CD1 3.96Å; H493-F528 AromaticContact ND1-CD2 3.94Å; H493-F528 AromaticContact ND1-CG 3.82Å; H493-F528 AromaticContact NE2-CD2 3.66Å; H493-F528 AromaticContact NE2-CG 3.79Å
494	A	88.5	Confident	88.2	Confident	3 Å²	3	57.1 Å²	57.1	3%	0.025	29%	0.291	C	S	.	.	H	α-helix	trans	-65.2	-35	174	0	0	0	0	0	113.1	I490 A491 Q492 R498 L557 P558	I490-A494 WeakPolarHBondContact O-CB 3.43Å; I490-A494 PolarHBondContact O-N 3.1Å; A491-A494 PolarHBondContact O-N 3.41Å; Q492-A494 VanDerWaalsContact C-N 3.34Å; Q492-A494 PolarHBondContact O-N 3.18Å; A494-R498 WeakPolarHBondContact O-CG 3.29Å; A494-R498 PolarHBondContact O-N 2.89Å; A494-L557 HydrophobicContact CB-CB 4.37Å; A494-L557 HydrophobicContact CB-CD2 4.1Å; A494-P558 HydrophobicContact CB-CG 4.34Å
495	L	87.3	Confident	87.5	Confident	73 Å²	73	56.8 Å²	56.8	38%	0.382	29%	0.292	S	S	.	.	H	α-helix	trans	-69.5	-40.3	174.5	-70.4	168.7	0	0	0	111.6	A491 Q492 H493 R498 Q499 L603	A491-L495 WeakPolarHBondContact O-CG 3.33Å; A491-L495 PolarHBondContact O-N 3.43Å; Q492-L495 PolarHBondContact O-N 3.19Å; H493-L495 VanDerWaalsContact C-N 3.34Å; H493-L495 PolarHBondContact O-N 3.03Å; L495-R498 WeakPolarHBondContact O-CB 3.49Å; L495-R498 PolarHBondContact O-N 3.12Å; L495-Q499 WeakPolarHBondContact O-CG 3.2Å; L495-Q499 PolarHBondContact O-N 3.05Å; L495-L603 HydrophobicContact CD1-CD2 4.21Å
496	Q	89.3	Confident	87	Confident	98 Å²	98	64 Å²	64	46%	0.458	32%	0.317	S	S	.	.	H	α-helix	trans	-59.9	-51.3	173.9	-70.4	167.9	-9.8	0	0	111.4	Q492 H493 R498 Q499 E500	Q492-Q496 WeakPolarHBondContact O-CG 3.49Å; Q492-Q496 PolarHBondContact O-N 3.38Å; H493-Q496 PolarHBondContact O-N 3.39Å; Q496-R498 PolarHBondContact O-N 3.37Å; Q496-Q499 PolarHBondContact O-N 3.25Å; Q496-Q499 VanDerWaalsContact O-N 3.07Å; Q496-E500 WeakPolarHBondContact O-CG 3.39Å; Q496-E500 PolarHBondContact O-N 3.16Å
497	L	87.6	Confident	86.6	Confident	37 Å²	37	71 Å²	71	19%	0.194	34%	0.342	C	S	.	.	H	α-helix	trans	-58.7	-32	177.4	-69.9	175.6	0	0	0	113.1	H493 A501 I522	H493-L497 WeakPolarHBondContact O-CG 3.49Å; H493-L497 PolarHBondContact O-N 3.38Å; L497-A501 VanDerWaalsContact O-CB 3.28Å; L497-A501 WeakPolarHBondContact O-CB 3.12Å; L497-A501 PolarHBondContact O-N 3Å; L497-I522 HydrophobicContact CB-CG2 3.63Å; L497-I522 HydrophobicContact CD1-CG2 3.61Å; L497-I522 HydrophobicContact CG-CG2 4.27Å
498	R	85.4	Confident	85.9	Confident	34 Å²	34	74.2 Å²	74.2	13%	0.128	35%	0.352	C	S	.	.	H	α-helix	trans	-68.3	-46.7	173.5	-79.7	177.1	176	157.6	3.7	112.2	A494 L495 Q496 E500 A501 E502 I522 P558 F559 E563	A494-R498 WeakPolarHBondContact O-CG 3.29Å; A494-R498 PolarHBondContact O-N 2.89Å; L495-R498 WeakPolarHBondContact O-CB 3.49Å; L495-R498 PolarHBondContact O-N 3.12Å; Q496-R498 PolarHBondContact O-N 3.37Å; R498-E500 VanDerWaalsContact C-N 3.35Å; R498-E500 PolarHBondContact O-N 3.11Å; R498-A501 PolarHBondContact O-N 3.48Å; R498-E502 WeakPolarHBondContact O-CB 3.29Å; R498-E502 WeakPolarHBondContact O-CG 3.5Å; R498-E502 PolarHBondContact O-N 3.32Å; R498-I522 HydrophobicContact CB-CD1 4.16Å; R498-I522 HydrophobicContact CG-CD1 3.19Å; R498-P558 PolarHBondContact NH1-O 3.37Å; R498-P558 PolarHBondContact NH2-O 2.87Å; R498-F559 VanDerWaalsContact NH1-C 3.3Å; R498-F559 PolarHBondContact NH1-O 3.24Å; R498-F559 VanDerWaalsContact NH1-O 3.08Å; R498-E563 IonicContact NH2-OE2 2.73Å
499	Q	86.1	Confident	85	Confident	122 Å²	122	75.7 Å²	75.7	57%	0.57	36%	0.363	S	S	*	.	H	α-helix	trans	-61	-44.4	177.8	-70.1	170.9	-8.5	0	0	111.2	L495 Q496 E502 E503	L495-Q499 WeakPolarHBondContact O-CG 3.2Å; L495-Q499 PolarHBondContact O-N 3.05Å; Q496-Q499 PolarHBondContact O-N 3.25Å; Q496-Q499 VanDerWaalsContact O-N 3.07Å; Q499-E502 PolarHBondContact O-N 3.42Å; Q499-E503 PolarHBondContact O-N 2.95Å
500	E	85.9	Confident	84.3	Confident	119 Å²	119	76.6 Å²	76.6	56%	0.556	38%	0.379	S	S	*	.	H	α-helix	trans	-60.7	-45.6	174.7	-69.5	176.7	-177.7	0	0	112.3	Q496 R498 E503 V504	Q496-E500 WeakPolarHBondContact O-CG 3.39Å; Q496-E500 PolarHBondContact O-N 3.16Å; R498-E500 VanDerWaalsContact C-N 3.35Å; R498-E500 PolarHBondContact O-N 3.11Å; E500-E503 PolarHBondContact O-N 3.03Å; E500-V504 WeakPolarHBondContact O-CG2 3.47Å; E500-V504 PolarHBondContact O-N 3.24Å
501	A	83.6	Confident	83.6	Confident	50 Å²	50	82.2 Å²	82.2	41%	0.413	41%	0.409	S	S	.	.	H	α-helix	trans	-64.1	-41.6	177.2	0	0	0	0	0	112.4	L497 R498 V504 S505	L497-A501 VanDerWaalsContact O-CB 3.28Å; L497-A501 WeakPolarHBondContact O-CB 3.12Å; L497-A501 PolarHBondContact O-N 3Å; R498-A501 PolarHBondContact O-N 3.48Å; A501-V504 PolarHBondContact O-N 3.34Å; A501-S505 WeakPolarHBondContact O-CB 3.4Å; A501-S505 PolarHBondContact O-N 2.94Å
502	E	82.1	Confident	82.5	Confident	111 Å²	111	91.2 Å²	91.2	52%	0.519	45%	0.448	S	S	.	.	H	α-helix	trans	-61.7	-46.3	174.7	-79.6	-175.7	-155	0	0	111.7	R498 Q499 S505 R506	R498-E502 WeakPolarHBondContact O-CB 3.29Å; R498-E502 WeakPolarHBondContact O-CG 3.5Å; R498-E502 PolarHBondContact O-N 3.32Å; Q499-E502 PolarHBondContact O-N 3.42Å; E502-S505 PolarHBondContact O-N 3.35Å; E502-S505 PolarHBondContact O-OG 2.76Å; E502-R506 WeakPolarHBondContact O-CB 3.33Å; E502-R506 PolarHBondContact O-N 3.42Å
503	E	84.1	Confident	81.1	Confident	95 Å²	95	92.4 Å²	92.4	44%	0.444	46%	0.456	S	S	.	.	H	α-helix	trans	-60.1	-46.2	175.5	-80.5	-164.4	-151.5	0	0	112.3	Q499 E500 S505 R506 R507	Q499-E503 PolarHBondContact O-N 2.95Å; E500-E503 PolarHBondContact O-N 3.03Å; E503-S505 VanDerWaalsContact C-N 3.31Å; E503-S505 PolarHBondContact O-N 2.83Å; E503-R506 PolarHBondContact O-N 2.83Å; E503-R507 VanDerWaalsContact O-CG 3.29Å; E503-R507 WeakPolarHBondContact O-CG 3.22Å; E503-R507 PolarHBondContact O-N 3.45Å; E503-R507 IonicContact OE2-CZ 3.87Å; E503-R507 IonicContact OE2-NE 2.9Å; E503-R507 IonicContact OE2-NH2 3.23Å; E503-R507 PolarHBondContact OE2-NH2 2.66Å
504	V	82.4	Confident	79.4	Confident	67 Å²	67	99.6 Å²	99.6	41%	0.406	49%	0.49	S	S	.	.	H	α-helix	trans	-62.1	-40.8	176.8	170	0	0	0	0	110.8	E500 A501 R507 K508	E500-V504 WeakPolarHBondContact O-CG2 3.47Å; E500-V504 PolarHBondContact O-N 3.24Å; A501-V504 PolarHBondContact O-N 3.34Å; V504-R507 PolarHBondContact O-N 3.42Å; V504-K508 HydrophobicContact CG1-CD 4.19Å; V504-K508 WeakPolarHBondContact O-CG 3.48Å; V504-K508 PolarHBondContact O-N 2.99Å
505	S	78.4	Confident	77.6	Confident	32 Å²	32	107 Å²	107	22%	0.224	53%	0.529	C	S	.	.	H	α-helix	trans	-63.1	-41.7	174.6	82.5	0	0	0	0	111.8	A501 E502 E503 K508 L509	A501-S505 WeakPolarHBondContact O-CB 3.4Å; A501-S505 PolarHBondContact O-N 2.94Å; E502-S505 PolarHBondContact O-N 3.35Å; E502-S505 PolarHBondContact O-OG 2.76Å; E503-S505 VanDerWaalsContact C-N 3.31Å; E503-S505 PolarHBondContact O-N 2.83Å; S505-K508 PolarHBondContact O-N 2.86Å; S505-L509 WeakPolarHBondContact O-CB 3.35Å; S505-L509 PolarHBondContact O-N 2.94Å
506	R	81.6	Confident	76	Confident	168 Å²	168	106.6 Å²	106.6	63%	0.634	53%	0.529	S	S	*	.	H	α-helix	trans	-66	-39.8	180	-168.2	-177.1	-58.8	173.7	4.6	111.9	E502 E503 A510	E502-R506 WeakPolarHBondContact O-CB 3.33Å; E502-R506 PolarHBondContact O-N 3.42Å; E503-R506 PolarHBondContact O-N 2.83Å; R506-A510 PolarHBondContact O-N 2.92Å; R506-A510 VanDerWaalsContact O-N 3.14Å
507	R	81.1	Confident	74.3	Confident	155 Å²	155	110.3 Å²	110.3	59%	0.585	55%	0.547	S	S	*	.	H	α-helix	trans	-63.9	-51.7	173.7	-66.8	172.4	-159.7	-167.2	7.8	110.7	E503 V504 L509 A510 D511	E503-R507 VanDerWaalsContact O-CG 3.29Å; E503-R507 WeakPolarHBondContact O-CG 3.22Å; E503-R507 PolarHBondContact O-N 3.45Å; E503-R507 IonicContact OE2-CZ 3.87Å; E503-R507 IonicContact OE2-NE 2.9Å; E503-R507 IonicContact OE2-NH2 3.23Å; E503-R507 PolarHBondContact OE2-NH2 2.66Å; V504-R507 PolarHBondContact O-N 3.42Å; R507-L509 VanDerWaalsContact C-N 3.28Å; R507-L509 PolarHBondContact O-N 2.86Å; R507-A510 WeakPolarHBondContact O-CB 3.44Å; R507-A510 PolarHBondContact O-N 3.41Å; R507-D511 PolarHBondContact O-N 2.87Å; R507-D511 VanDerWaalsContact O-N 3.11Å
508	K	76.2	Confident	72.7	Confident	97 Å²	97	116.5 Å²	116.5	42%	0.422	57%	0.572	S	S	.	*	H	α-helix	trans	-57.9	-37.1	177	-71.9	175.8	178.2	-177.6	0	113.5	V504 S505 D511 V516	V504-K508 HydrophobicContact CG1-CD 4.19Å; V504-K508 WeakPolarHBondContact O-CG 3.48Å; V504-K508 PolarHBondContact O-N 2.99Å; S505-K508 PolarHBondContact O-N 2.86Å; K508-D511 PolarHBondContact O-N 2.96Å; K508-V516 HydrophobicContact CB-CG2 4.24Å; K508-V516 HydrophobicContact CD-CG2 4.26Å
509	L	73.3	Confident	71.2	Confident	142 Å²	142	119.5 Å²	119.5	74%	0.743	60%	0.598	S	S	*	*	H	α-helix	trans	-69.2	-34.9	177.5	-162.4	110.3	0	0	0	112.1	S505 R507 D511 K512	S505-L509 WeakPolarHBondContact O-CB 3.35Å; S505-L509 PolarHBondContact O-N 2.94Å; R507-L509 VanDerWaalsContact C-N 3.28Å; R507-L509 PolarHBondContact O-N 2.86Å; L509-D511 VanDerWaalsContact C-N 3.32Å; L509-K512 PolarHBondContact O-N 3.47Å
510	A	76.8	Confident	69.9	Low	79 Å²	79	118.1 Å²	118.1	65%	0.653	60%	0.595	S	S	*	*	H	α-helix	trans	-67.1	-33.9	172.8	0	0	0	0	0	112.2	R506 R507 K512	R506-A510 PolarHBondContact O-N 2.92Å; R506-A510 VanDerWaalsContact O-N 3.14Å; R507-A510 WeakPolarHBondContact O-CB 3.44Å; R507-A510 PolarHBondContact O-N 3.41Å; A510-K512 PolarHBondContact O-N 3.28Å
511	D	76.3	Confident	68.8	Low	120 Å²	120	115.6 Å²	115.6	64%	0.642	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	4.9	179.6	-65.5	-28.6	0	0	0	114.5	R507 K508 L509 L513	R507-D511 PolarHBondContact O-N 2.87Å; R507-D511 VanDerWaalsContact O-N 3.11Å; K508-D511 PolarHBondContact O-N 2.96Å; L509-D511 VanDerWaalsContact C-N 3.32Å; D511-L513 VanDerWaalsContact C-N 3.34Å; D511-L513 PolarHBondContact O-N 2.93Å
512	K	65.8	Low	68.4	Low	191 Å²	191	114.6 Å²	114.6	83%	0.83	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	55.1	38	178.5	-61.1	-174.8	177.3	-177.8	0	115.4	L509 A510	L509-K512 PolarHBondContact O-N 3.47Å; A510-K512 PolarHBondContact O-N 3.28Å
513	L	62.5	Low	68.2	Low	119 Å²	119	115.6 Å²	115.6	62%	0.623	58%	0.575	S	S	*	*			trans	-84	111.5	164.7	-78.4	155.3	0	0	0	109.2	D511	D511-L513 VanDerWaalsContact C-N 3.34Å; D511-L513 PolarHBondContact O-N 2.93Å
514	E	53.3	Low	68.2	Low	179 Å²	179	112 Å²	112	84%	0.836	56%	0.559	S	S	*	*	S	Bend	trans	-64.5	152.6	176.4	-66.8	-179.2	153.4	0	0	111.4
515	D	50.2	Low	68.4	Low	160 Å²	160	110.9 Å²	110.9	86%	0.856	55%	0.554	S	S	*	*			trans	57.1	48.5	173.9	-59.1	-16	0	0	0	117.4	E517	D515-E517 PolarHBondContact O-N 3.35Å; D515-E517 VanDerWaalsContact O-N 3.12Å
516	V	54.2	Low	68.8	Low	63 Å²	63	118.3 Å²	118.3	38%	0.382	58%	0.577	S	S	.	*			trans	-76.2	90.1	156.5	-174.3	0	0	0	0	109.5	K508 K518	K508-V516 HydrophobicContact CB-CG2 4.24Å; K508-V516 HydrophobicContact CD-CG2 4.26Å; V516-K518 PolarHBondContact O-N 3.09Å
517	E	53.2	Low	69.1	Low	176 Å²	176	117.4 Å²	117.4	82%	0.822	58%	0.58	S	S	*	*			trans	-52.9	124.6	161.5	-70.8	-170.1	156.4	0	0	109.1	D515 S519	D515-E517 PolarHBondContact O-N 3.35Å; D515-E517 VanDerWaalsContact O-N 3.12Å; E517-S519 PolarHBondContact O-N 2.9Å
518	K	55.3	Low	69.6	Low	167 Å²	167	111 Å²	111	73%	0.726	56%	0.557	S	S	*	*			trans	-73.2	81.4	172.9	-71.7	-173.3	178.1	-176.1	0	109.6	V516 D520	V516-K518 PolarHBondContact O-N 3.09Å; K518-D520 PolarHBondContact O-N 2.88Å; K518-D520 VanDerWaalsContact O-N 3.12Å
519	S	53.5	Low	70.2	Confident	97 Å²	97	109.9 Å²	109.9	68%	0.678	55%	0.552	S	S	*	*			trans	-75.1	94.2	170.8	64.4	0	0	0	0	109.7	E517 D521	E517-S519 PolarHBondContact O-N 2.9Å; S519-D521 PolarHBondContact O-N 3.21Å
520	D	57.8	Low	70.9	Confident	93 Å²	93	107.2 Å²	107.2	50%	0.497	54%	0.536	S	S	.	.			trans	-68.2	16.3	174.4	-70.5	-9.7	0	0	0	113.4	K518 I522	K518-D520 PolarHBondContact O-N 2.88Å; K518-D520 VanDerWaalsContact O-N 3.12Å; D520-I522 PolarHBondContact O-N 2.97Å
521	D	63.1	Low	71.6	Confident	66 Å²	66	108.5 Å²	108.5	35%	0.353	54%	0.535	S	S	.	.			trans	-76.7	70.4	-177.9	-174.4	7.9	0	0	0	111.8	S519 K523	S519-D521 PolarHBondContact O-N 3.21Å; D521-K523 PolarHBondContact O-N 3.24Å; D521-K523 WeakPolarHBondContact OD1-CE 3.45Å; D521-K523 IonicContact OD1-NZ 3.9Å; D521-K523 PolarHBondContact OD1-NZ 3.29Å; D521-K523 VanDerWaalsContact OD1-NZ 3.09Å; D521-K523 IonicContact OD2-NZ 2.66Å; D521-K523 PolarHBondContact OD2-NZ 3.32Å
522	I	76.3	Confident	72.3	Confident	29 Å²	29	104.9 Å²	104.9	15%	0.149	52%	0.517	C	S	.	.			trans	-79.9	116.9	-179.9	-66.2	174.7	0	0	0	109.4	L497 R498 D520 L557	L497-I522 HydrophobicContact CB-CG2 3.63Å; L497-I522 HydrophobicContact CD1-CG2 3.61Å; L497-I522 HydrophobicContact CG-CG2 4.27Å; R498-I522 HydrophobicContact CB-CD1 4.16Å; R498-I522 HydrophobicContact CG-CD1 3.19Å; D520-I522 PolarHBondContact O-N 2.97Å; I522-L557 HydrophobicContact CB-CD1 4.35Å; I522-L557 HydrophobicContact CG2-CD1 4.28Å; I522-L557 WeakPolarHBondContact O-CD1 3.4Å
523	K	77.6	Confident	73.6	Confident	133 Å²	133	95.8 Å²	95.8	58%	0.578	48%	0.478	S	S	*	.			trans	-107	131.6	178.3	-61.6	-168	-179.4	77.1	0	110.8	D521 S525	D521-K523 PolarHBondContact O-N 3.24Å; D521-K523 WeakPolarHBondContact OD1-CE 3.45Å; D521-K523 IonicContact OD1-NZ 3.9Å; D521-K523 PolarHBondContact OD1-NZ 3.29Å; D521-K523 VanDerWaalsContact OD1-NZ 3.09Å; D521-K523 IonicContact OD2-NZ 2.66Å; D521-K523 PolarHBondContact OD2-NZ 3.32Å; K523-S525 PolarHBondContact O-N 3.11Å
524	I	83.9	Confident	74.9	Confident	18 Å²	18	94.3 Å²	94.3	9%	0.092	47%	0.468	C	S	.	.			trans	-64.1	124.7	173.9	-59.8	-172.2	0	0	0	109.7	I490 F528 K529 Y555 L557	I490-I524 HydrophobicContact CG2-CD1 4.14Å; I524-F528 HydrophobicContact CG2-CB 4.17Å; I524-F528 HydrophobicContact CG2-CD1 3.44Å; I524-F528 VanDerWaalsContact CG2-CD1 3.44Å; I524-F528 HydrophobicContact CG2-CE1 4.23Å; I524-F528 HydrophobicContact CG2-CG 4.2Å; I524-K529 HydrophobicContact CG2-CG 3.89Å; I524-K529 WeakPolarHBondContact O-CE 3.24Å; I524-Y555 HydrophobicContact CD1-CD1 3.62Å; I524-Y555 HydrophobicContact CD1-CE1 4.48Å; I524-Y555 HydrophobicContact CD1-CG 3.7Å; I524-L557 HydrophobicContact CD1-CD2 3.77Å; I524-L557 HydrophobicContact CG1-CD2 3.91Å
525	S	86.5	Confident	76.8	Confident	45 Å²	45	89 Å²	89	32%	0.315	45%	0.449	S	S	.	.			trans	-60.1	150.4	178.8	73.9	0	0	0	0	112.1	K523 Q527 F528 K529	K523-S525 PolarHBondContact O-N 3.11Å; S525-Q527 VanDerWaalsContact C-N 3.3Å; S525-Q527 PolarHBondContact O-N 3.01Å; S525-F528 PolarHBondContact O-N 3.44Å; S525-F528 WeakPolarHBondContact OG-CB 3.39Å; S525-F528 PolarHBondContact OG-N 3.34Å; S525-K529 PolarHBondContact O-N 3.08Å
526	R	86.6	Confident	78.8	Confident	187 Å²	187	83.8 Å²	83.8	71%	0.706	42%	0.421	S	S	*	.	H	α-helix	trans	-61.9	-40	177.5	-177.9	175.6	172.1	170	0.8	111.9	F528 K529 E530	R526-F528 PolarHBondContact O-N 3.2Å; R526-K529 WeakPolarHBondContact O-CB 3.46Å; R526-K529 PolarHBondContact O-N 2.9Å; R526-E530 HydrophobicContact CG-CG 4.48Å; R526-E530 IonicContact CZ-OE1 3.91Å; R526-E530 VanDerWaalsContact CZ-OE1 3.23Å; R526-E530 IonicContact NE-OE1 2.67Å; R526-E530 PolarHBondContact NE-OE1 3.27Å; R526-E530 IonicContact NE-OE2 2.68Å; R526-E530 IonicContact NH2-OE1 3.66Å; R526-E530 PolarHBondContact NH2-OE1 3.46Å; R526-E530 PolarHBondContact O-N 2.88Å; R526-E530 VanDerWaalsContact O-N 3.1Å
527	Q	88.6	Confident	80.6	Confident	149 Å²	149	81 Å²	81	70%	0.696	40%	0.403	S	S	*	.	H	α-helix	trans	-58.1	-46.4	178.2	-69.7	172	-19.3	0	0	111.8	S525 K529 E530 T531	S525-Q527 VanDerWaalsContact C-N 3.3Å; S525-Q527 PolarHBondContact O-N 3.01Å; Q527-K529 VanDerWaalsContact C-N 3.31Å; Q527-K529 PolarHBondContact O-N 3.04Å; Q527-E530 PolarHBondContact O-N 3.45Å; Q527-T531 WeakPolarHBondContact O-CB 3.3Å; Q527-T531 PolarHBondContact O-N 3.33Å; Q527-T531 PolarHBondContact O-OG1 3.39Å; Q527-T531 VanDerWaalsContact O-OG1 3.12Å
528	F	90.3	Very high	82.3	Confident	22 Å²	22	76.2 Å²	76.2	10%	0.096	38%	0.38	C	S	.	.	H	α-helix	trans	-61.3	-38.6	177.8	-178.9	-96.3	0	0	0	112.6	D489 I490 H493 I524 S525 R526 V532 I533	D489-F528 HydrophobicContact CB-CZ 4.12Å; D489-F528 WeakPolarHBondContact O-CZ 3.25Å; I490-F528 HydrophobicContact CG1-CE1 4.37Å; H493-F528 HydrophobicContact CB-CD2 4.11Å; H493-F528 HydrophobicContact CB-CE1 4.26Å; H493-F528 HydrophobicContact CB-CE2 3.53Å; H493-F528 HydrophobicContact CB-CZ 3.62Å; H493-F528 AromaticContact CD2-CD2 3.42Å; H493-F528 VanDerWaalsContact CD2-CD2 3.42Å; H493-F528 WeakPolarHBondContact CD2-CD2 3.4Å; H493-F528 AromaticContact CD2-CE2 3.75Å; H493-F528 AromaticContact CD2-CG 3.97Å; H493-F528 AromaticContact CE1-CD2 3.96Å; H493-F528 AromaticContact CE1-CG 3.7Å; H493-F528 AromaticContact CG-CD2 3.59Å; H493-F528 AromaticContact CG-CE2 3.57Å; H493-F528 AromaticContact CG-CG 3.97Å; H493-F528 AromaticContact CG-CZ 3.91Å; H493-F528 AromaticContact ND1-CD1 3.96Å; H493-F528 AromaticContact ND1-CD2 3.94Å; H493-F528 AromaticContact ND1-CG 3.82Å; H493-F528 AromaticContact NE2-CD2 3.66Å; H493-F528 AromaticContact NE2-CG 3.79Å; I524-F528 HydrophobicContact CG2-CB 4.17Å; I524-F528 HydrophobicContact CG2-CD1 3.44Å; I524-F528 VanDerWaalsContact CG2-CD1 3.44Å; I524-F528 HydrophobicContact CG2-CE1 4.23Å; I524-F528 HydrophobicContact CG2-CG 4.2Å; S525-F528 PolarHBondContact O-N 3.44Å; S525-F528 WeakPolarHBondContact OG-CB 3.39Å; S525-F528 PolarHBondContact OG-N 3.34Å; R526-F528 PolarHBondContact O-N 3.2Å; F528-V532 HydrophobicContact CD2-CB 4.05Å; F528-V532 HydrophobicContact CD2-CG2 3.77Å; F528-V532 HydrophobicContact CE2-CB 3.9Å; F528-V532 HydrophobicContact CE2-CG1 3.96Å; F528-V532 HydrophobicContact CE2-CG2 3.85Å; F528-V532 HydrophobicContact CZ-CB 4.29Å; F528-V532 HydrophobicContact CZ-CG1 4.14Å; F528-V532 WeakPolarHBondContact O-CB 3.34Å; F528-V532 PolarHBondContact O-N 2.8Å; F528-I533 HydrophobicContact CD1-CD1 4.4Å; F528-I533 HydrophobicContact CD1-CG1 3.93Å; F528-I533 HydrophobicContact CE1-CD1 3.61Å; F528-I533 HydrophobicContact CE1-CG1 3.64Å; F528-I533 HydrophobicContact CZ-CD1 4.06Å; F528-I533 HydrophobicContact CZ-CG1 4.43Å; F528-I533 PolarHBondContact O-N 3.22Å
529	K	89.8	Confident	83.9	Confident	73 Å²	73	71.7 Å²	71.7	32%	0.317	37%	0.374	S	S	.	.	I	π-helix	trans	-63.7	-44.3	176.8	-62.2	178	-176.1	-177.9	0	112.2	I524 S525 R526 Q527 Q534 Y555	I524-K529 HydrophobicContact CG2-CG 3.89Å; I524-K529 WeakPolarHBondContact O-CE 3.24Å; S525-K529 PolarHBondContact O-N 3.08Å; R526-K529 WeakPolarHBondContact O-CB 3.46Å; R526-K529 PolarHBondContact O-N 2.9Å; Q527-K529 VanDerWaalsContact C-N 3.31Å; Q527-K529 PolarHBondContact O-N 3.04Å; K529-Q534 WeakPolarHBondContact O-CB 3.34Å; K529-Q534 PolarHBondContact O-N 2.88Å; K529-Y555 HydrophobicContact CD-CE2 3.84Å; K529-Y555 HydrophobicContact CG-CE1 4.38Å; K529-Y555 HydrophobicContact CG-CE2 4.26Å
530	E	88	Confident	85.6	Confident	86 Å²	86	70.7 Å²	70.7	40%	0.402	36%	0.358	S	S	.	.	I	π-helix	trans	-76.9	-39.6	-177.4	-69.1	173.3	167	0	0	112.3	R526 Q527	R526-E530 HydrophobicContact CG-CG 4.48Å; R526-E530 IonicContact CZ-OE1 3.91Å; R526-E530 VanDerWaalsContact CZ-OE1 3.23Å; R526-E530 IonicContact NE-OE1 2.67Å; R526-E530 PolarHBondContact NE-OE1 3.27Å; R526-E530 IonicContact NE-OE2 2.68Å; R526-E530 IonicContact NH2-OE1 3.66Å; R526-E530 PolarHBondContact NH2-OE1 3.46Å; R526-E530 PolarHBondContact O-N 2.88Å; R526-E530 VanDerWaalsContact O-N 3.1Å; Q527-E530 PolarHBondContact O-N 3.45Å
531	T	90.6	Very high	86.9	Confident	105 Å²	105	66.6 Å²	66.6	64%	0.644	34%	0.336	S	S	*	.	I	π-helix	trans	-87.3	-34.7	-174.6	-52.4	0	0	0	0	114	Q527 P535	Q527-T531 WeakPolarHBondContact O-CB 3.3Å; Q527-T531 PolarHBondContact O-N 3.33Å; Q527-T531 PolarHBondContact O-OG1 3.39Å; Q527-T531 VanDerWaalsContact O-OG1 3.12Å; T531-P535 WeakPolarHBondContact O-CG 3.25Å
532	V	92	Very high	87.7	Confident	44 Å²	44	73.7 Å²	73.7	27%	0.267	36%	0.358	S	S	.	.	I	π-helix	trans	-107.3	-56.7	-174.9	-175.7	0	0	0	0	111.2	D489 F528 P535 I536	D489-V532 HydrophobicContact CB-CG1 4.04Å; F528-V532 HydrophobicContact CD2-CB 4.05Å; F528-V532 HydrophobicContact CD2-CG2 3.77Å; F528-V532 HydrophobicContact CE2-CB 3.9Å; F528-V532 HydrophobicContact CE2-CG1 3.96Å; F528-V532 HydrophobicContact CE2-CG2 3.85Å; F528-V532 HydrophobicContact CZ-CB 4.29Å; F528-V532 HydrophobicContact CZ-CG1 4.14Å; F528-V532 WeakPolarHBondContact O-CB 3.34Å; F528-V532 PolarHBondContact O-N 2.8Å; V532-P535 WeakPolarHBondContact O-CD 3.41Å; V532-I536 HydrophobicContact CG1-CD1 4.03Å; V532-I536 WeakPolarHBondContact O-CD1 3.48Å; V532-I536 VanDerWaalsContact O-CG1 3.29Å; V532-I536 WeakPolarHBondContact O-CG1 3.34Å
533	I	92	Very high	87.6	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	36%	0.363	C	S	.	.	I	π-helix	trans	-71	-47.3	-171.2	-56.2	-59.8	0	0	0	112.2	L368 A486 I490 F528 I536 L537 Y555	L368-I533 HydrophobicContact CD1-CG2 3.96Å; A486-I533 HydrophobicContact CB-CD1 3.6Å; I490-I533 HydrophobicContact CD1-CD1 4.11Å; I490-I533 HydrophobicContact CG1-CD1 3.64Å; F528-I533 HydrophobicContact CD1-CD1 4.4Å; F528-I533 HydrophobicContact CD1-CG1 3.93Å; F528-I533 HydrophobicContact CE1-CD1 3.61Å; F528-I533 HydrophobicContact CE1-CG1 3.64Å; F528-I533 HydrophobicContact CZ-CD1 4.06Å; F528-I533 HydrophobicContact CZ-CG1 4.43Å; F528-I533 PolarHBondContact O-N 3.22Å; I533-I536 PolarHBondContact O-N 2.97Å; I533-I536 VanDerWaalsContact O-N 3.16Å; I533-L537 HydrophobicContact CG2-CD1 3.68Å; I533-L537 HydrophobicContact CG2-CG 3.93Å; I533-L537 WeakPolarHBondContact O-CG 3.35Å; I533-L537 PolarHBondContact O-N 3.35Å; I533-Y555 HydrophobicContact CG1-CE1 4.14Å; I533-Y555 HydrophobicContact CG2-CE1 4.08Å
534	Q	90.5	Very high	87.5	Confident	89 Å²	89	73.3 Å²	73.3	42%	0.416	36%	0.357	S	S	.	.	H	α-helix	trans	-59.9	-44.6	-174.7	-172.4	179.4	30.5	0	0	112.9	K529 I536 L537 K538	K529-Q534 WeakPolarHBondContact O-CB 3.34Å; K529-Q534 PolarHBondContact O-N 2.88Å; Q534-I536 PolarHBondContact O-N 3.46Å; Q534-L537 PolarHBondContact O-N 3.47Å; Q534-K538 WeakPolarHBondContact O-CG 3.38Å; Q534-K538 PolarHBondContact O-N 3.08Å
535	P	92.3	Very high	87.5	Confident	66 Å²	66	79.2 Å²	79.2	43%	0.429	39%	0.385	S	S	.	.	H	α-helix	trans	-58.9	-41.7	172.9	-28	37.2	0	0	0	114	T531 V532 K538 A539	T531-P535 WeakPolarHBondContact O-CG 3.25Å; V532-P535 WeakPolarHBondContact O-CD 3.41Å; P535-K538 PolarHBondContact O-N 3.39Å; P535-A539 WeakPolarHBondContact O-CB 3.27Å; P535-A539 PolarHBondContact O-N 3.35Å
536	I	92.8	Very high	87.4	Confident	52 Å²	52	77.1 Å²	77.1	27%	0.267	37%	0.37	S	S	.	.	H	α-helix	trans	-64.3	-45.5	179.4	-61.4	166.4	0	0	0	110.4	V485 A486 V532 I533 Q534 A539 H540	V485-I536 HydrophobicContact CG1-CG2 3.58Å; A486-I536 HydrophobicContact CB-CB 4.43Å; A486-I536 HydrophobicContact CB-CD1 3.97Å; A486-I536 HydrophobicContact CB-CG2 4.07Å; V532-I536 HydrophobicContact CG1-CD1 4.03Å; V532-I536 WeakPolarHBondContact O-CD1 3.48Å; V532-I536 VanDerWaalsContact O-CG1 3.29Å; V532-I536 WeakPolarHBondContact O-CG1 3.34Å; I533-I536 PolarHBondContact O-N 2.97Å; I533-I536 VanDerWaalsContact O-N 3.16Å; Q534-I536 PolarHBondContact O-N 3.46Å; I536-A539 PolarHBondContact O-N 3.29Å; I536-H540 WeakPolarHBondContact O-CB 3.39Å; I536-H540 PolarHBondContact O-N 3.3Å
537	L	91.5	Very high	87.5	Confident	3 Å²	3	69.5 Å²	69.5	2%	0.016	34%	0.343	C	S	.	.	H	α-helix	trans	-62.5	-43.3	177.2	-65.2	176.5	0	0	0	111.9	L366 L368 V485 I533 Q534 H540 F541 L547 I553	L366-L537 HydrophobicContact CD2-CD1 4.45Å; L366-L537 HydrophobicContact CD2-CD2 4.31Å; L368-L537 HydrophobicContact CD1-CD1 4.12Å; L368-L537 HydrophobicContact CD1-CD2 4.04Å; L368-L537 HydrophobicContact CD2-CD2 4.09Å; V485-L537 HydrophobicContact CG1-CD2 4.06Å; I533-L537 HydrophobicContact CG2-CD1 3.68Å; I533-L537 HydrophobicContact CG2-CG 3.93Å; I533-L537 WeakPolarHBondContact O-CG 3.35Å; I533-L537 PolarHBondContact O-N 3.35Å; Q534-L537 PolarHBondContact O-N 3.47Å; L537-H540 PolarHBondContact O-N 3.36Å; L537-F541 HydrophobicContact CB-CD2 4.49Å; L537-F541 HydrophobicContact CD2-CE2 4.06Å; L537-F541 WeakPolarHBondContact O-CD2 3.28Å; L537-F541 PolarHBondContact O-N 2.97Å; L537-L547 HydrophobicContact CB-CD1 3.82Å; L537-L547 HydrophobicContact CB-CD2 4.1Å; L537-L547 HydrophobicContact CD1-CD2 4.38Å; L537-I553 HydrophobicContact CD1-CD1 3.96Å
538	K	89.1	Confident	87.4	Confident	76 Å²	76	65.6 Å²	65.6	33%	0.33	34%	0.342	S	S	.	.	H	α-helix	trans	-60.8	-47.5	176.2	-74.2	-172.5	173.9	-152.3	0	111.8	Q534 P535 H540 R542 D544 L547	Q534-K538 WeakPolarHBondContact O-CG 3.38Å; Q534-K538 PolarHBondContact O-N 3.08Å; P535-K538 PolarHBondContact O-N 3.39Å; K538-H540 VanDerWaalsContact C-N 3.28Å; K538-H540 PolarHBondContact O-N 2.85Å; K538-R542 WeakPolarHBondContact O-CA 3.31Å; K538-R542 PolarHBondContact O-N 3.38Å; K538-D544 WeakPolarHBondContact CD-OD1 2.93Å; K538-D544 VanDerWaalsContact CE-OD2 3.27Å; K538-D544 WeakPolarHBondContact CE-OD2 3.29Å; K538-D544 VanDerWaalsContact CG-OD1 3.3Å; K538-D544 WeakPolarHBondContact CG-OD1 3.45Å; K538-D544 IonicContact NZ-OD1 2.79Å; K538-D544 IonicContact NZ-OD2 3.11Å; K538-D544 PolarHBondContact NZ-OD2 3.43Å; K538-L547 HydrophobicContact CG-CD1 3.74Å
539	A	89.3	Confident	87.4	Confident	73 Å²	73	69 Å²	69	60%	0.603	36%	0.355	S	S	*	.	H	α-helix	trans	-61.2	-37.1	177.6	0	0	0	0	0	112.3	P535 I536 R542	P535-A539 WeakPolarHBondContact O-CB 3.27Å; P535-A539 PolarHBondContact O-N 3.35Å; I536-A539 PolarHBondContact O-N 3.29Å; A539-R542 WeakPolarHBondContact O-CG 3.32Å
540	H	88.3	Confident	87.5	Confident	75 Å²	75	66.3 Å²	66.3	35%	0.347	34%	0.344	S	S	.	.	H	α-helix	trans	-71.8	-56.7	179.4	-167.9	-77	0	0	0	112.9	D445 V485 I536 L537 K538 R542	D445-H540 VanDerWaalsContact CA-CE1 3.47Å; D445-H540 WeakPolarHBondContact CA-CE1 3.48Å; D445-H540 VanDerWaalsContact CB-CE1 3.41Å; D445-H540 WeakPolarHBondContact CB-CE1 3.43Å; D445-H540 PolarHBondContact O-CE1 3.39Å; D445-H540 VanDerWaalsContact O-CE1 3.25Å; V485-H540 HydrophobicContact CG1-CB 4.29Å; V485-H540 HydrophobicContact CG2-CB 4.43Å; I536-H540 WeakPolarHBondContact O-CB 3.39Å; I536-H540 PolarHBondContact O-N 3.3Å; L537-H540 PolarHBondContact O-N 3.36Å; K538-H540 VanDerWaalsContact C-N 3.28Å; K538-H540 PolarHBondContact O-N 2.85Å; H540-R542 VanDerWaalsContact C-N 3.34Å; H540-R542 PolarHBondContact O-N 3.44Å
541	F	85.6	Confident	87.7	Confident	7 Å²	7	66 Å²	66	3%	0.031	35%	0.345	C	S	.	.	H	α-helix	trans	-79.1	-15.9	-174.8	-66.9	-66.7	0	0	0	113.6	L366 V444 L452 L537 R543 F546 L547	L366-F541 HydrophobicContact CD2-CE2 4.44Å; V444-F541 HydrophobicContact CG1-CE1 4.06Å; V444-F541 HydrophobicContact CG1-CZ 3.96Å; L452-F541 HydrophobicContact CD1-CD1 3.88Å; L452-F541 HydrophobicContact CD2-CD1 4.48Å; L537-F541 HydrophobicContact CB-CD2 4.49Å; L537-F541 HydrophobicContact CD2-CE2 4.06Å; L537-F541 WeakPolarHBondContact O-CD2 3.28Å; L537-F541 PolarHBondContact O-N 2.97Å; F541-R543 PolarHBondContact O-N 3.1Å; F541-F546 HydrophobicContact CB-CD1 4.29Å; F541-F546 HydrophobicContact CD1-CD1 4.11Å; F541-F546 AromaticContact CD1-CE1 3.93Å; F541-F546 HydrophobicContact CD1-CE1 3.93Å; F541-F546 HydrophobicContact CD2-CD1 4.36Å; F541-F546 HydrophobicContact CD2-CE1 4.5Å; F541-F546 AromaticContact CE1-CE1 3.98Å; F541-F546 HydrophobicContact CE1-CE1 3.98Å; F541-F546 AromaticContact CG-CD1 4Å; F541-F546 HydrophobicContact CG-CD1 4Å; F541-F546 HydrophobicContact CG-CE1 4.2Å; F541-F546 HydrophobicContact CZ-CE1 4.3Å; F541-L547 HydrophobicContact CD2-CD2 4.07Å
542	R	79.8	Confident	87.9	Confident	216 Å²	216	63.6 Å²	63.6	82%	0.815	33%	0.326	S	S	*	.			trans	56.5	13	176.8	-53.7	-178.5	-176.6	-176.7	1.7	115.3	K538 A539 H540	K538-R542 WeakPolarHBondContact O-CA 3.31Å; K538-R542 PolarHBondContact O-N 3.38Å; A539-R542 WeakPolarHBondContact O-CG 3.32Å; H540-R542 VanDerWaalsContact C-N 3.34Å; H540-R542 PolarHBondContact O-N 3.44Å
543	R	75.1	Confident	88	Confident	66 Å²	66	63.7 Å²	63.7	25%	0.249	32%	0.324	C	S	.	.			trans	-142.8	102.3	-177.2	-64.4	-175.1	-173.3	162.1	2.3	109.1	P449 T453 F541 E545 F546	P449-R543 PolarHBondContact O-NH1 3.4Å; P449-R543 VanDerWaalsContact O-NH1 3.1Å; P449-R543 PolarHBondContact O-NH2 3.25Å; P449-R543 VanDerWaalsContact O-NH2 3.07Å; T453-R543 VanDerWaalsContact CA-NH1 3.27Å; T453-R543 PolarHBondContact OG1-NH1 3Å; T453-R543 PolarHBondContact OG1-NH2 2.91Å; F541-R543 PolarHBondContact O-N 3.1Å; R543-E545 PolarHBondContact O-N 2.66Å; R543-F546 HydrophobicContact CB-CB 4.36Å; R543-F546 WeakPolarHBondContact O-CB 3.49Å; R543-F546 PolarHBondContact O-N 2.66Å; R543-F546 VanDerWaalsContact O-N 3.16Å
544	D	74.9	Confident	88.1	Confident	87 Å²	87	63.7 Å²	63.7	47%	0.465	33%	0.325	S	S	.	.	H	α-helix	trans	-61.8	-31.7	-179.9	-81.4	16.7	0	0	0	112.3	K538 F546 L547 G548	K538-D544 WeakPolarHBondContact CD-OD1 2.93Å; K538-D544 VanDerWaalsContact CE-OD2 3.27Å; K538-D544 WeakPolarHBondContact CE-OD2 3.29Å; K538-D544 VanDerWaalsContact CG-OD1 3.3Å; K538-D544 WeakPolarHBondContact CG-OD1 3.45Å; K538-D544 IonicContact NZ-OD1 2.79Å; K538-D544 IonicContact NZ-OD2 3.11Å; K538-D544 PolarHBondContact NZ-OD2 3.43Å; D544-F546 PolarHBondContact O-N 3.25Å; D544-L547 PolarHBondContact O-N 2.69Å; D544-G548 PolarHBondContact O-N 2.75Å
545	E	83.4	Confident	88.3	Confident	143 Å²	143	61 Å²	61	67%	0.668	31%	0.311	S	S	*	.	H	α-helix	trans	-53.6	-40	174.4	-65.4	171.6	176.7	0	0	112.3	L456 R543 L547 G548 R549	L456-E545 HydrophobicContact CD2-CB 4.29Å; R543-E545 PolarHBondContact O-N 2.66Å; E545-L547 VanDerWaalsContact C-N 3.32Å; E545-L547 PolarHBondContact O-N 3.27Å; E545-G548 PolarHBondContact O-N 3.18Å; E545-R549 WeakPolarHBondContact O-CG 3.45Å; E545-R549 PolarHBondContact O-N 3.07Å
546	F	85.9	Confident	88.4	Confident	1 Å²	1	57.9 Å²	57.9	0%	0.004	29%	0.291	C	S	.	.	H	α-helix	trans	-63.5	-37.6	-178	-175.2	-104.9	0	0	0	112.5	L452 M455 L456 F459 M481 F541 R543 D544 G548 R549 I550	L452-F546 HydrophobicContact CD2-CE1 4.47Å; L452-F546 HydrophobicContact CD2-CE2 4.15Å; L452-F546 HydrophobicContact CD2-CZ 3.9Å; M455-F546 HydrophobicContact CB-CE2 4.07Å; L456-F546 HydrophobicContact CD2-CB 4.03Å; L456-F546 HydrophobicContact CD2-CD2 4.06Å; L456-F546 HydrophobicContact CG-CD2 4.09Å; F459-F546 HydrophobicContact CD2-CE2 4.44Å; F459-F546 AromaticContact CE2-CE2 3.95Å; F459-F546 HydrophobicContact CE2-CE2 3.95Å; F459-F546 HydrophobicContact CE2-CZ 4.4Å; M481-F546 HydrophobicContact CE-CE1 4.25Å; M481-F546 HydrophobicContact CE-CZ 3.94Å; M481-F546 HydrophobicContact SD-CE1 4.25Å; M481-F546 HydrophobicContact SD-CE2 4.37Å; M481-F546 HydrophobicContact SD-CZ 3.53Å; M481-F546 VanDerWaalsContact SD-CZ 3.53Å; F541-F546 HydrophobicContact CB-CD1 4.29Å; F541-F546 HydrophobicContact CD1-CD1 4.11Å; F541-F546 AromaticContact CD1-CE1 3.93Å; F541-F546 HydrophobicContact CD1-CE1 3.93Å; F541-F546 HydrophobicContact CD2-CD1 4.36Å; F541-F546 HydrophobicContact CD2-CE1 4.5Å; F541-F546 AromaticContact CE1-CE1 3.98Å; F541-F546 HydrophobicContact CE1-CE1 3.98Å; F541-F546 AromaticContact CG-CD1 4Å; F541-F546 HydrophobicContact CG-CD1 4Å; F541-F546 HydrophobicContact CG-CE1 4.2Å; F541-F546 HydrophobicContact CZ-CE1 4.3Å; R543-F546 HydrophobicContact CB-CB 4.36Å; R543-F546 WeakPolarHBondContact O-CB 3.49Å; R543-F546 PolarHBondContact O-N 2.66Å; R543-F546 VanDerWaalsContact O-N 3.16Å; D544-F546 PolarHBondContact O-N 3.25Å; F546-G548 VanDerWaalsContact C-N 3.31Å; F546-R549 PolarHBondContact O-N 3.44Å; F546-I550 HydrophobicContact CD1-CD1 4.4Å; F546-I550 HydrophobicContact CE1-CD1 4.31Å
547	L	87.3	Confident	88.4	Confident	27 Å²	27	56.5 Å²	56.5	14%	0.141	28%	0.284	C	S	.	.	H	α-helix	trans	-71.8	-27.8	176.2	-60.4	-179.7	0	0	0	112.1	L537 K538 F541 D544 E545 R549 I550	L537-L547 HydrophobicContact CB-CD1 3.82Å; L537-L547 HydrophobicContact CB-CD2 4.1Å; L537-L547 HydrophobicContact CD1-CD2 4.38Å; K538-L547 HydrophobicContact CG-CD1 3.74Å; F541-L547 HydrophobicContact CD2-CD2 4.07Å; D544-L547 PolarHBondContact O-N 2.69Å; E545-L547 VanDerWaalsContact C-N 3.32Å; E545-L547 PolarHBondContact O-N 3.27Å; L547-R549 VanDerWaalsContact C-N 3.25Å; L547-R549 PolarHBondContact O-N 3.42Å; L547-I550 HydrophobicContact CD2-CD1 4.04Å
548	G	87.4	Confident	88.4	Confident	66 Å²	66	56.5 Å²	56.5	68%	0.68	28%	0.284	S	S	*	.	H	α-helix	trans	-70.9	-16	175.9	0	0	0	0	0	114.6	D544 E545 F546	D544-G548 PolarHBondContact O-N 2.75Å; E545-G548 PolarHBondContact O-N 3.18Å; F546-G548 VanDerWaalsContact C-N 3.31Å
549	R	89.6	Confident	88.5	Confident	94 Å²	94	53.6 Å²	53.6	36%	0.355	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-2.6	-179.3	-58.2	-61.3	-170.6	148.4	13.8	114.2	L456 F459 D460 E545 F546 L547	L456-R549 HydrophobicContact CD2-CG 4.29Å; F459-R549 HydrophobicContact CB-CB 4.12Å; D460-R549 VanDerWaalsContact CG-NE 3.35Å; D460-R549 WeakPolarHBondContact OD1-CD 3.28Å; D460-R549 WeakPolarHBondContact OD1-CG 3.34Å; D460-R549 IonicContact OD1-CZ 3.32Å; D460-R549 IonicContact OD1-NE 3.72Å; D460-R549 PolarHBondContact OD1-NE 3.4Å; D460-R549 IonicContact OD1-NH1 2.82Å; D460-R549 IonicContact OD1-NH2 3.23Å; D460-R549 PolarHBondContact OD1-NH2 2.79Å; D460-R549 IonicContact OD2-CZ 3.69Å; D460-R549 IonicContact OD2-NE 2.79Å; D460-R549 PolarHBondContact OD2-NE 3.08Å; D460-R549 IonicContact OD2-NH2 3.68Å; D460-R549 PolarHBondContact OD2-NH2 2.78Å; E545-R549 WeakPolarHBondContact O-CG 3.45Å; E545-R549 PolarHBondContact O-N 3.07Å; F546-R549 PolarHBondContact O-N 3.44Å; L547-R549 VanDerWaalsContact C-N 3.25Å; L547-R549 PolarHBondContact O-N 3.42Å
550	I	92.5	Very high	88.5	Confident	17 Å²	17	50.8 Å²	50.8	9%	0.087	25%	0.247	C	C	.	.			trans	-89	121.7	176.5	-61.1	166	0	0	0	108.3	V364 L366 M481 F546 L547 I553	V364-I550 HydrophobicContact CG1-CG1 4.23Å; L366-I550 HydrophobicContact CB-CD1 4.04Å; L366-I550 HydrophobicContact CB-CG2 3.92Å; L366-I550 HydrophobicContact CD2-CD1 3.91Å; M481-I550 HydrophobicContact CE-CD1 3.83Å; M481-I550 HydrophobicContact CE-CG1 3.76Å; F546-I550 HydrophobicContact CD1-CD1 4.4Å; F546-I550 HydrophobicContact CE1-CD1 4.31Å; L547-I550 HydrophobicContact CD2-CD1 4.04Å; I550-I553 HydrophobicContact CG2-CG1 4.13Å
551	N	92.6	Very high	88.5	Confident	79 Å²	79	53.5 Å²	53.5	42%	0.422	26%	0.255	S	S	.	.	S	Bend	trans	-70.5	-41.3	-178.6	-54.2	101.5	0	0	0	112.1	P362 L363 V364	P362-N551 PolarHBondContact O-OD1 3.26Å; L363-N551 HydrophobicContact CD1-CB 4.04Å; V364-N551 PolarHBondContact N-OD1 2.79Å; V364-N551 PolarHBondContact O-N 2.72Å
552	E	93.4	Very high	88.8	Confident	55 Å²	55	55.7 Å²	55.7	26%	0.257	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	128.8	-176.7	-65.4	-67.8	171.7	0	0	111.6	T344 A348 R351 V364 F365 L366	T344-E552 HydrophobicContact CG2-CB 4.12Å; T344-E552 HydrophobicContact CG2-CG 4.3Å; A348-E552 HydrophobicContact CB-CG 4.3Å; R351-E552 IonicContact CZ-OE1 3.78Å; R351-E552 IonicContact NH1-OE1 3.73Å; R351-E552 IonicContact NH2-OE1 3.35Å; R351-E552 PolarHBondContact NH2-OE1 3.44Å; V364-E552 PolarHBondContact O-N 3.32Å; F365-E552 WeakPolarHBondContact CA-O 3.43Å; F365-E552 HydrophobicContact CD1-CB 3.83Å; F365-E552 HydrophobicContact CE1-CB 4.03Å; F365-E552 HydrophobicContact CE1-CG 4.34Å; L366-E552 PolarHBondContact N-O 3.29Å; L366-E552 VanDerWaalsContact N-O 3.11Å
553	I	94.3	Very high	89.4	Confident	45 Å²	45	46.6 Å²	46.6	23%	0.231	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	119.4	169.5	-55.6	179.2	0	0	0	108.3	L366 L368 L537 I550 Y555	L366-I553 HydrophobicContact CB-CG1 4.43Å; L368-I553 HydrophobicContact CD1-CG2 3.55Å; L368-I553 HydrophobicContact CG-CG2 4.02Å; L537-I553 HydrophobicContact CD1-CD1 3.96Å; I550-I553 HydrophobicContact CG2-CG1 4.13Å; I553-Y555 HydrophobicContact CB-CE2 4.07Å; I553-Y555 HydrophobicContact CG2-CD2 4.47Å; I553-Y555 HydrophobicContact CG2-CE1 4.21Å; I553-Y555 HydrophobicContact CG2-CE2 3.76Å; I553-Y555 WeakPolarHBondContact O-CD2 3.24Å; I553-Y555 WeakPolarHBondContact O-CE2 3.24Å
554	V	95.5	Very high	90.2	Very high	1 Å²	1	44 Å²	44	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.9	-173.3	-171.3	0	0	0	0	109.3	A341 T344 V345 F365 L366 F367 L368 F556	A341-V554 HydrophobicContact CB-CG1 3.51Å; T344-V554 HydrophobicContact CG2-CG2 4Å; V345-V554 HydrophobicContact CG2-CG1 4.15Å; V345-V554 HydrophobicContact CG2-CG2 3.88Å; F365-V554 HydrophobicContact CD1-CG2 3.88Å; L366-V554 PolarHBondContact O-N 2.92Å; F367-V554 WeakPolarHBondContact CA-O 3.45Å; F367-V554 HydrophobicContact CD1-CB 3.63Å; F367-V554 HydrophobicContact CD1-CG1 4.26Å; F367-V554 HydrophobicContact CD1-CG2 3.82Å; F367-V554 HydrophobicContact CE1-CB 3.94Å; F367-V554 HydrophobicContact CE1-CG1 4.3Å; F367-V554 HydrophobicContact CE1-CG2 3.73Å; L368-V554 PolarHBondContact N-O 2.9Å; V554-F556 HydrophobicContact CB-CE2 4.42Å; V554-F556 HydrophobicContact CG1-CD2 4.45Å; V554-F556 HydrophobicContact CG1-CE2 3.88Å
555	Y	94.4	Very high	91.2	Very high	31 Å²	31	41.2 Å²	41.2	12%	0.122	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.4	-173.1	-60	-96.9	0	0	0	110.1	L368 I490 I524 K529 I533 I553	L368-Y555 HydrophobicContact CD1-CE1 4.08Å; I490-Y555 HydrophobicContact CD1-CD1 4.01Å; I490-Y555 HydrophobicContact CG1-CD1 4.41Å; I524-Y555 HydrophobicContact CD1-CD1 3.62Å; I524-Y555 HydrophobicContact CD1-CE1 4.48Å; I524-Y555 HydrophobicContact CD1-CG 3.7Å; K529-Y555 HydrophobicContact CD-CE2 3.84Å; K529-Y555 HydrophobicContact CG-CE1 4.38Å; K529-Y555 HydrophobicContact CG-CE2 4.26Å; I533-Y555 HydrophobicContact CG1-CE1 4.14Å; I533-Y555 HydrophobicContact CG2-CE1 4.08Å; I553-Y555 HydrophobicContact CB-CE2 4.07Å; I553-Y555 HydrophobicContact CG2-CD2 4.47Å; I553-Y555 HydrophobicContact CG2-CE1 4.21Å; I553-Y555 HydrophobicContact CG2-CE2 3.76Å; I553-Y555 WeakPolarHBondContact O-CD2 3.24Å; I553-Y555 WeakPolarHBondContact O-CE2 3.24Å
556	F	94.3	Very high	91.7	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.009	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-100.8	125.5	174.7	-69.4	-108.8	0	0	0	108.9	Q338 A341 F367 L368 I373 K375 L378 V554	Q338-F556 HydrophobicContact CB-CD1 4.46Å; Q338-F556 HydrophobicContact CG-CD1 4.15Å; A341-F556 HydrophobicContact CB-CD1 4.37Å; A341-F556 HydrophobicContact CB-CD2 4.39Å; A341-F556 HydrophobicContact CB-CE1 4.18Å; A341-F556 HydrophobicContact CB-CE2 4.18Å; A341-F556 HydrophobicContact CB-CG 4.49Å; A341-F556 HydrophobicContact CB-CZ 4.08Å; F367-F556 HydrophobicContact CB-CD2 4.3Å; F367-F556 HydrophobicContact CB-CE2 3.69Å; F367-F556 HydrophobicContact CD1-CE2 4.13Å; F367-F556 AromaticContact CD2-CE2 3.63Å; F367-F556 HydrophobicContact CD2-CE2 3.63Å; F367-F556 AromaticContact CD2-CZ 3.66Å; F367-F556 HydrophobicContact CD2-CZ 3.66Å; F367-F556 HydrophobicContact CE2-CE2 4.25Å; F367-F556 AromaticContact CE2-CZ 3.94Å; F367-F556 HydrophobicContact CE2-CZ 3.94Å; F367-F556 AromaticContact CG-CE2 3.55Å; F367-F556 HydrophobicContact CG-CE2 3.55Å; F367-F556 HydrophobicContact CG-CZ 4.08Å; L368-F556 WeakPolarHBondContact O-CB 3.46Å; L368-F556 PolarHBondContact O-N 3.07Å; I373-F556 HydrophobicContact CG1-CB 4.27Å; I373-F556 HydrophobicContact CG2-CB 3.51Å; I373-F556 HydrophobicContact CG2-CD1 4.08Å; I373-F556 HydrophobicContact CG2-CG 4.02Å; K375-F556 HydrophobicContact CB-CE2 4.46Å; K375-F556 HydrophobicContact CB-CZ 4.37Å; K375-F556 HydrophobicContact CD-CD2 4.37Å; K375-F556 HydrophobicContact CG-CB 4.44Å; K375-F556 HydrophobicContact CG-CD1 4.09Å; K375-F556 HydrophobicContact CG-CD2 3.69Å; K375-F556 HydrophobicContact CG-CE1 4.23Å; K375-F556 HydrophobicContact CG-CE2 3.87Å; K375-F556 HydrophobicContact CG-CG 3.81Å; K375-F556 HydrophobicContact CG-CZ 4.11Å; L378-F556 HydrophobicContact CB-CE1 4.34Å; L378-F556 HydrophobicContact CB-CZ 4.18Å; L378-F556 HydrophobicContact CD2-CE1 4.17Å; L378-F556 HydrophobicContact CD2-CZ 3.61Å; V554-F556 HydrophobicContact CB-CE2 4.42Å; V554-F556 HydrophobicContact CG1-CD2 4.45Å; V554-F556 HydrophobicContact CG1-CE2 3.88Å
557	L	92.2	Very high	92	Very high	23 Å²	23	40.9 Å²	40.9	12%	0.12	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-94.3	154.6	-177	-53.3	-175.5	0	0	0	109.9	Q338 I373 I490 A494 I522 I524	Q338-L557 PolarHBondContact NE2-O 3.03Å; Q338-L557 PolarHBondContact OE1-O 2.92Å; I373-L557 VanDerWaalsContact CD1-O 3.24Å; I373-L557 WeakPolarHBondContact CD1-O 3.31Å; I373-L557 VanDerWaalsContact CG1-O 3.24Å; I373-L557 WeakPolarHBondContact CG1-O 3.48Å; I490-L557 HydrophobicContact CG2-CD2 4.15Å; A494-L557 HydrophobicContact CB-CB 4.37Å; A494-L557 HydrophobicContact CB-CD2 4.1Å; I522-L557 HydrophobicContact CB-CD1 4.35Å; I522-L557 HydrophobicContact CG2-CD1 4.28Å; I522-L557 WeakPolarHBondContact O-CD1 3.4Å; I524-L557 HydrophobicContact CD1-CD2 3.77Å; I524-L557 HydrophobicContact CG1-CD2 3.91Å
558	P	91.4	Very high	92.4	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.019	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-49.4	147.4	165.8	-28.2	37.2	0	0	0	112	A491 A494 R498 L603	A491-P558 HydrophobicContact CB-CG 3.61Å; A494-P558 HydrophobicContact CB-CG 4.34Å; R498-P558 PolarHBondContact NH1-O 3.37Å; R498-P558 PolarHBondContact NH2-O 2.87Å; P558-L603 HydrophobicContact CB-CD1 3.51Å; P558-L603 HydrophobicContact CG-CD1 3.52Å
559	F	91.6	Very high	92.8	Very high	15 Å²	15	38.2 Å²	38.2	7%	0.066	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-65.1	143.7	174.8	-65	-70.1	0	0	0	111.7	Q338 I373 R498 E563 L564 L567 Y601 A607	Q338-F559 HydrophobicContact CG-CE1 4.39Å; I373-F559 HydrophobicContact CD1-CD2 3.61Å; I373-F559 HydrophobicContact CD1-CE2 3.52Å; I373-F559 HydrophobicContact CD1-CG 4.25Å; I373-F559 HydrophobicContact CD1-CZ 4.11Å; I373-F559 HydrophobicContact CG1-CE2 4.22Å; I373-F559 HydrophobicContact CG1-CZ 4.39Å; I373-F559 VanDerWaalsContact O-CZ 3.31Å; I373-F559 WeakPolarHBondContact O-CZ 3.48Å; R498-F559 VanDerWaalsContact NH1-C 3.3Å; R498-F559 PolarHBondContact NH1-O 3.24Å; R498-F559 VanDerWaalsContact NH1-O 3.08Å; F559-E563 WeakPolarHBondContact CA-OE2 3.18Å; F559-E563 HydrophobicContact CB-CB 4.14Å; F559-E563 HydrophobicContact CD1-CB 3.99Å; F559-L564 HydrophobicContact CB-CD2 3.68Å; F559-L564 HydrophobicContact CB-CG 3.84Å; F559-L564 HydrophobicContact CD2-CD2 4.31Å; F559-L564 HydrophobicContact CG-CD2 4.29Å; F559-L567 HydrophobicContact CD2-CD1 4.47Å; F559-L567 HydrophobicContact CE1-CD1 4.33Å; F559-L567 HydrophobicContact CE2-CD1 4.03Å; F559-L567 HydrophobicContact CZ-CD1 3.95Å; F559-Y601 HydrophobicContact CD2-CE2 4.02Å; F559-Y601 PolarHBondContact N-OH 3Å; F559-A607 HydrophobicContact CE2-CB 3.89Å; F559-A607 HydrophobicContact CZ-CB 4.42Å
560	C	89.2	Confident	93	Very high	14 Å²	14	38.8 Å²	38.8	10%	0.095	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-83.7	170.3	166.7	69.6	0	0	0	0	110.8	S562 E563 L564	C560-S562 PolarHBondContact O-N 2.85Å; C560-S562 PolarHBondContact SG-OG 3.04Å; C560-E563 PolarHBondContact N-OE2 2.92Å; C560-E563 PolarHBondContact O-N 3.49Å; C560-E563 VanDerWaalsContact SG-CD 3.53Å; C560-E563 WeakPolarHBondContact SG-CG 3.43Å; C560-L564 WeakPolarHBondContact O-CG 3.25Å; C560-L564 PolarHBondContact O-N 3.5Å
561	Y	88.7	Confident	93.1	Very high	131 Å²	131	39.5 Å²	39.5	51%	0.514	19%	0.194	S	C	.	.	H	α-helix	trans	-62	-40	-174.8	-168.9	-108.9	0	0	0	113.1	L564 L565 D595 A598	Y561-L564 WeakPolarHBondContact O-CB 3.48Å; Y561-L564 PolarHBondContact O-N 3.44Å; Y561-L565 HydrophobicContact CD1-CD1 3.94Å; Y561-L565 HydrophobicContact CD1-CG 4.38Å; Y561-L565 HydrophobicContact CE1-CD1 3.7Å; Y561-L565 HydrophobicContact CE1-CD2 4.37Å; Y561-L565 HydrophobicContact CE1-CG 4.16Å; Y561-L565 WeakPolarHBondContact O-CG 3.42Å; Y561-L565 PolarHBondContact O-N 3.16Å; Y561-D595 WeakPolarHBondContact OH-CB 3.43Å; Y561-D595 PolarHBondContact OH-OD1 3.08Å; Y561-A598 HydrophobicContact CE2-CB 4.1Å
562	S	90.3	Very high	93.2	Very high	53 Å²	53	35.8 Å²	35.8	37%	0.371	18%	0.175	S	C	.	.	H	α-helix	trans	-65.3	-41.6	175.9	51	0	0	0	0	112.5	C560 L564 L565 Q566	C560-S562 PolarHBondContact O-N 2.85Å; C560-S562 PolarHBondContact SG-OG 3.04Å; S562-L564 VanDerWaalsContact C-N 3.34Å; S562-L565 PolarHBondContact O-N 3.28Å; S562-Q566 WeakPolarHBondContact O-CG 3.3Å; S562-Q566 PolarHBondContact O-N 2.76Å; S562-Q566 VanDerWaalsContact O-N 3.1Å
563	E	92.4	Very high	93.3	Very high	26 Å²	26	36.4 Å²	36.4	12%	0.121	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-40.4	171.6	-72.9	169	159.6	0	0	111.7	I336 G337 Q338 R498 F559 C560 Q566 L567	I336-E563 HydrophobicContact CG2-CB 4.06Å; I336-E563 HydrophobicContact CG2-CG 4.28Å; G337-E563 WeakPolarHBondContact CA-OE1 3.33Å; Q338-E563 PolarHBondContact N-OE1 3.42Å; R498-E563 IonicContact NH2-OE2 2.73Å; F559-E563 WeakPolarHBondContact CA-OE2 3.18Å; F559-E563 HydrophobicContact CB-CB 4.14Å; F559-E563 HydrophobicContact CD1-CB 3.99Å; C560-E563 PolarHBondContact N-OE2 2.92Å; C560-E563 PolarHBondContact O-N 3.49Å; C560-E563 VanDerWaalsContact SG-CD 3.53Å; C560-E563 WeakPolarHBondContact SG-CG 3.43Å; E563-Q566 PolarHBondContact O-N 3.31Å; E563-L567 WeakPolarHBondContact O-CB 3.44Å; E563-L567 PolarHBondContact O-N 2.95Å
564	L	93.2	Very high	93.3	Very high	11 Å²	11	39.4 Å²	39.4	6%	0.058	19%	0.191	C	C	.	.	H	α-helix	trans	-63.5	-44.7	176.6	-71.1	173.7	0	0	0	112.1	F559 C560 Y561 S562 Q566 L567 V568 A598 Y601 I610	F559-L564 HydrophobicContact CB-CD2 3.68Å; F559-L564 HydrophobicContact CB-CG 3.84Å; F559-L564 HydrophobicContact CD2-CD2 4.31Å; F559-L564 HydrophobicContact CG-CD2 4.29Å; C560-L564 WeakPolarHBondContact O-CG 3.25Å; C560-L564 PolarHBondContact O-N 3.5Å; Y561-L564 WeakPolarHBondContact O-CB 3.48Å; Y561-L564 PolarHBondContact O-N 3.44Å; S562-L564 VanDerWaalsContact C-N 3.34Å; L564-Q566 VanDerWaalsContact C-N 3.33Å; L564-Q566 PolarHBondContact O-N 3.43Å; L564-L567 WeakPolarHBondContact O-CB 3.35Å; L564-L567 PolarHBondContact O-N 2.63Å; L564-L567 VanDerWaalsContact O-N 3.08Å; L564-V568 WeakPolarHBondContact O-CG2 3.41Å; L564-V568 PolarHBondContact O-N 3.39Å; L564-A598 HydrophobicContact CB-CB 4.26Å; L564-Y601 HydrophobicContact CD1-CD1 3.77Å; L564-Y601 HydrophobicContact CD1-CD2 4.36Å; L564-Y601 HydrophobicContact CD1-CE1 4.37Å; L564-Y601 HydrophobicContact CD1-CG 3.74Å; L564-Y601 HydrophobicContact CD2-CD1 4.25Å; L564-Y601 HydrophobicContact CD2-CD2 3.4Å; L564-Y601 HydrophobicContact CD2-CE2 3.75Å; L564-Y601 HydrophobicContact CD2-CG 3.66Å; L564-Y601 HydrophobicContact CG-CG 4.37Å; L564-I610 HydrophobicContact CD2-CD1 4.43Å; L564-I610 HydrophobicContact CD2-CG1 4.15Å
565	L	94.6	Very high	93.3	Very high	29 Å²	29	41.2 Å²	41.2	15%	0.152	20%	0.198	C	C	.	.	H	α-helix	trans	-61.2	-41.1	176.3	-66.9	173.4	0	0	0	112	Y561 S562 L567 S569 L594 D595 A598	Y561-L565 HydrophobicContact CD1-CD1 3.94Å; Y561-L565 HydrophobicContact CD1-CG 4.38Å; Y561-L565 HydrophobicContact CE1-CD1 3.7Å; Y561-L565 HydrophobicContact CE1-CD2 4.37Å; Y561-L565 HydrophobicContact CE1-CG 4.16Å; Y561-L565 WeakPolarHBondContact O-CG 3.42Å; Y561-L565 PolarHBondContact O-N 3.16Å; S562-L565 PolarHBondContact O-N 3.28Å; L565-L567 VanDerWaalsContact C-N 3.31Å; L565-L567 PolarHBondContact O-N 3.49Å; L565-S569 VanDerWaalsContact O-CB 3.28Å; L565-S569 WeakPolarHBondContact O-CB 3.41Å; L565-S569 PolarHBondContact O-N 3.1Å; L565-L594 HydrophobicContact CD2-CB 3.64Å; L565-D595 VanDerWaalsContact CD2-OD1 3.25Å; L565-D595 WeakPolarHBondContact CD2-OD1 3.39Å; L565-A598 HydrophobicContact CD2-CB 4.08Å
566	Q	94.1	Very high	93.3	Very high	113 Å²	113	40.4 Å²	40.4	53%	0.528	20%	0.198	S	C	.	.	H	α-helix	trans	-62.5	-38.5	172.9	-70.3	179.2	9.5	0	0	111.8	I336 S562 E563 L564 S569 K570	I336-Q566 HydrophobicContact CD1-CB 4.05Å; I336-Q566 HydrophobicContact CG1-CB 4.48Å; I336-Q566 HydrophobicContact CG2-CB 3.97Å; S562-Q566 WeakPolarHBondContact O-CG 3.3Å; S562-Q566 PolarHBondContact O-N 2.76Å; S562-Q566 VanDerWaalsContact O-N 3.1Å; E563-Q566 PolarHBondContact O-N 3.31Å; L564-Q566 VanDerWaalsContact C-N 3.33Å; L564-Q566 PolarHBondContact O-N 3.43Å; Q566-S569 PolarHBondContact O-N 2.7Å; Q566-K570 WeakPolarHBondContact O-CB 3.41Å; Q566-K570 PolarHBondContact O-N 2.94Å
567	L	93.6	Very high	93.4	Very high	24 Å²	24	47.1 Å²	47.1	13%	0.126	23%	0.227	C	C	.	.	H	α-helix	trans	-70.4	-44.4	-179.7	-162.3	149.7	0	0	0	112.1	I336 F559 E563 L564 L565 S569 K570 E571 A607 I610	I336-L567 HydrophobicContact CD1-CB 4.25Å; F559-L567 HydrophobicContact CD2-CD1 4.47Å; F559-L567 HydrophobicContact CE1-CD1 4.33Å; F559-L567 HydrophobicContact CE2-CD1 4.03Å; F559-L567 HydrophobicContact CZ-CD1 3.95Å; E563-L567 WeakPolarHBondContact O-CB 3.44Å; E563-L567 PolarHBondContact O-N 2.95Å; L564-L567 WeakPolarHBondContact O-CB 3.35Å; L564-L567 PolarHBondContact O-N 2.63Å; L564-L567 VanDerWaalsContact O-N 3.08Å; L565-L567 VanDerWaalsContact C-N 3.31Å; L565-L567 PolarHBondContact O-N 3.49Å; L567-S569 VanDerWaalsContact C-N 3.35Å; L567-K570 PolarHBondContact O-N 3.24Å; L567-E571 PolarHBondContact O-N 3.26Å; L567-A607 HydrophobicContact CD1-CB 3.5Å; L567-A607 HydrophobicContact CD2-CB 4.04Å; L567-A607 HydrophobicContact CG-CB 4.4Å; L567-I610 HydrophobicContact CD2-CB 3.81Å; L567-I610 HydrophobicContact CD2-CG1 4.28Å; L567-I610 HydrophobicContact CD2-CG2 3.58Å
568	V	95.8	Very high	93.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.2	-49.4	171	175	0	0	0	0	110	L564 K570 E571 L572 L594 L597 A598 I610	L564-V568 WeakPolarHBondContact O-CG2 3.41Å; L564-V568 PolarHBondContact O-N 3.39Å; V568-K570 VanDerWaalsContact C-N 3.3Å; V568-K570 PolarHBondContact O-N 3.24Å; V568-E571 PolarHBondContact O-N 3.14Å; V568-L572 HydrophobicContact CG1-CD1 3.95Å; V568-L572 HydrophobicContact CG1-CG 4.27Å; V568-L572 WeakPolarHBondContact O-CG 3.47Å; V568-L572 PolarHBondContact O-N 2.74Å; V568-L594 HydrophobicContact CB-CD2 4.34Å; V568-L594 HydrophobicContact CG1-CD2 3.72Å; V568-L597 HydrophobicContact CG1-CB 3.67Å; V568-L597 HydrophobicContact CG1-CD1 3.79Å; V568-L597 HydrophobicContact CG1-CG 4.4Å; V568-L597 HydrophobicContact CG2-CB 4.1Å; V568-A598 HydrophobicContact CG2-CB 4.28Å; V568-I610 HydrophobicContact CB-CG2 4.38Å; V568-I610 HydrophobicContact CG2-CD1 4.12Å; V568-I610 HydrophobicContact CG2-CG2 3.58Å
569	S	95.3	Very high	93.5	Very high	36 Å²	36	49.7 Å²	49.7	25%	0.252	24%	0.24	S	C	.	.	H	α-helix	trans	-58.3	-40.7	178	-179.8	0	0	0	0	112	L565 Q566 L567 N573	L565-S569 VanDerWaalsContact O-CB 3.28Å; L565-S569 WeakPolarHBondContact O-CB 3.41Å; L565-S569 PolarHBondContact O-N 3.1Å; Q566-S569 PolarHBondContact O-N 2.7Å; L567-S569 VanDerWaalsContact C-N 3.35Å; S569-N573 VanDerWaalsContact O-CB 3.3Å; S569-N573 WeakPolarHBondContact O-CB 3.44Å; S569-N573 PolarHBondContact O-N 2.76Å; S569-N573 PolarHBondContact O-ND2 3.45Å; S569-N573 PolarHBondContact OG-ND2 3.02Å
570	K	93.7	Very high	93.5	Very high	106 Å²	106	54.3 Å²	54.3	46%	0.461	26%	0.26	S	S	.	.	H	α-helix	trans	-64.3	-41.7	176.3	-176.3	173.7	177.7	177.3	0	112.6	H334 I336 Q566 L567 V568 N573 F574	H334-K570 PolarHBondContact O-NZ 3.49Å; I336-K570 HydrophobicContact CD1-CB 4.11Å; I336-K570 HydrophobicContact CD1-CD 3.65Å; I336-K570 HydrophobicContact CG1-CD 4.49Å; Q566-K570 WeakPolarHBondContact O-CB 3.41Å; Q566-K570 PolarHBondContact O-N 2.94Å; L567-K570 PolarHBondContact O-N 3.24Å; V568-K570 VanDerWaalsContact C-N 3.3Å; V568-K570 PolarHBondContact O-N 3.24Å; K570-N573 PolarHBondContact O-N 3.11Å; K570-F574 PolarHBondContact O-N 3.36Å
571	E	94.7	Very high	93.8	Very high	32 Å²	32	61.3 Å²	61.3	15%	0.15	29%	0.291	C	S	.	.	H	α-helix	trans	-70.3	-43	177.4	-170	64.2	-160	0	0	111.4	L567 V568 N573 F574 W575 V614	L567-E571 PolarHBondContact O-N 3.26Å; V568-E571 PolarHBondContact O-N 3.14Å; E571-N573 VanDerWaalsContact C-N 3.32Å; E571-N573 PolarHBondContact O-N 2.8Å; E571-F574 WeakPolarHBondContact O-CB 3.01Å; E571-F574 PolarHBondContact O-N 2.73Å; E571-F574 VanDerWaalsContact O-N 3.09Å; E571-W575 VanDerWaalsContact O-CD1 3.25Å; E571-W575 PolarHBondContact O-N 2.94Å; E571-W575 PolarHBondContact OE1-NE1 2.95Å; E571-V614 HydrophobicContact CB-CG2 4.4Å; E571-V614 HydrophobicContact CG-CB 4.08Å; E571-V614 HydrophobicContact CG-CG1 3.97Å; E571-V614 HydrophobicContact CG-CG2 4.19Å
572	L	94.8	Very high	93.9	Very high	2 Å²	2	64 Å²	64	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-58.9	-42.6	172.8	-71	176.6	0	0	0	111.7	V568 F574 W575 A576 W589 L594 L597 V614 V618 L639	V568-L572 HydrophobicContact CG1-CD1 3.95Å; V568-L572 HydrophobicContact CG1-CG 4.27Å; V568-L572 WeakPolarHBondContact O-CG 3.47Å; V568-L572 PolarHBondContact O-N 2.74Å; L572-F574 VanDerWaalsContact C-N 3.32Å; L572-F574 PolarHBondContact O-N 2.88Å; L572-W575 PolarHBondContact O-N 2.75Å; L572-A576 VanDerWaalsContact O-CB 3.31Å; L572-A576 WeakPolarHBondContact O-CB 3.14Å; L572-A576 PolarHBondContact O-N 2.9Å; L572-W589 HydrophobicContact CB-CD2 4.34Å; L572-W589 HydrophobicContact CB-CE3 4.32Å; L572-W589 HydrophobicContact CB-CH2 3.87Å; L572-W589 HydrophobicContact CB-CZ2 3.86Å; L572-W589 HydrophobicContact CB-CZ3 4.11Å; L572-W589 HydrophobicContact CD1-CD2 3.96Å; L572-W589 HydrophobicContact CD1-CG 4.05Å; L572-L594 HydrophobicContact CD1-CD2 3.66Å; L572-L597 HydrophobicContact CD1-CD1 4.1Å; L572-L597 HydrophobicContact CD2-CD1 4.12Å; L572-L597 HydrophobicContact CG-CD1 4.4Å; L572-V614 HydrophobicContact CD2-CG1 3.94Å; L572-V618 HydrophobicContact CD2-CG1 4.36Å; L572-V618 HydrophobicContact CD2-CG2 4.12Å; L572-L639 HydrophobicContact CD2-CD1 4.36Å
573	N	95.6	Very high	93.8	Very high	68 Å²	68	64.7 Å²	64.7	36%	0.364	30%	0.298	S	S	.	.	H	α-helix	trans	-62.7	-34.9	174.1	-87	-69.4	0	0	0	113.2	S569 K570 E571 K577	S569-N573 VanDerWaalsContact O-CB 3.3Å; S569-N573 WeakPolarHBondContact O-CB 3.44Å; S569-N573 PolarHBondContact O-N 2.76Å; S569-N573 PolarHBondContact O-ND2 3.45Å; S569-N573 PolarHBondContact OG-ND2 3.02Å; K570-N573 PolarHBondContact O-N 3.11Å; E571-N573 VanDerWaalsContact C-N 3.32Å; E571-N573 PolarHBondContact O-N 2.8Å; N573-K577 WeakPolarHBondContact O-CG 3.47Å; N573-K577 PolarHBondContact O-N 3.19Å; N573-K577 VanDerWaalsContact O-N 3.1Å
574	F	94.8	Very high	93.7	Very high	107 Å²	107	67.9 Å²	67.9	47%	0.469	32%	0.316	S	S	.	.	H	α-helix	trans	-64.3	-46.8	173.6	169.9	-100.2	0	0	0	111.2	K570 E571 L572 K578	K570-F574 PolarHBondContact O-N 3.36Å; E571-F574 WeakPolarHBondContact O-CB 3.01Å; E571-F574 PolarHBondContact O-N 2.73Å; E571-F574 VanDerWaalsContact O-N 3.09Å; L572-F574 VanDerWaalsContact C-N 3.32Å; L572-F574 PolarHBondContact O-N 2.88Å; F574-K578 PolarHBondContact O-N 3.48Å; F574-K578 VanDerWaalsContact O-N 3.16Å
575	W	94.8	Very high	93.6	Very high	39 Å²	39	67.9 Å²	67.9	15%	0.148	32%	0.315	C	S	.	.	H	α-helix	trans	-69	-36.3	176.9	-72.9	101.2	0	0	0	113.2	E571 L572 K578 A579 E615 V619	E571-W575 VanDerWaalsContact O-CD1 3.25Å; E571-W575 PolarHBondContact O-N 2.94Å; E571-W575 PolarHBondContact OE1-NE1 2.95Å; L572-W575 PolarHBondContact O-N 2.75Å; W575-K578 HydrophobicContact CE3-CD 3.85Å; W575-K578 HydrophobicContact CZ3-CD 3.81Å; W575-K578 PolarHBondContact O-N 2.74Å; W575-A579 WeakPolarHBondContact O-CB 3.42Å; W575-A579 PolarHBondContact O-N 3.45Å; W575-E615 HydrophobicContact CZ2-CG 3.89Å; W575-V619 HydrophobicContact CD2-CG2 3.51Å; W575-V619 HydrophobicContact CE3-CG1 3.98Å; W575-V619 HydrophobicContact CE3-CG2 3.72Å; W575-V619 HydrophobicContact CG-CG2 3.88Å; W575-V619 HydrophobicContact CH2-CG1 3.95Å; W575-V619 HydrophobicContact CH2-CG2 4.24Å; W575-V619 HydrophobicContact CZ2-CG2 4.1Å; W575-V619 HydrophobicContact CZ3-CG1 3.62Å; W575-V619 HydrophobicContact CZ3-CG2 4.06Å
576	A	94.3	Very high	93.5	Very high	15 Å²	15	68.4 Å²	68.4	12%	0.124	32%	0.32	C	S	.	.	H	α-helix	trans	-61.3	-44.7	174.5	0	0	0	0	0	112.5	L572 K578 A579 K580 L587 W589	L572-A576 VanDerWaalsContact O-CB 3.31Å; L572-A576 WeakPolarHBondContact O-CB 3.14Å; L572-A576 PolarHBondContact O-N 2.9Å; A576-K578 VanDerWaalsContact C-N 3.32Å; A576-K578 PolarHBondContact O-N 3.14Å; A576-A579 PolarHBondContact O-N 2.65Å; A576-K580 WeakPolarHBondContact O-CB 3.48Å; A576-K580 PolarHBondContact O-N 2.81Å; A576-L587 HydrophobicContact CB-CB 3.94Å; A576-L587 HydrophobicContact CB-CD1 4.1Å; A576-L587 HydrophobicContact CB-CG 4.26Å; A576-W589 HydrophobicContact CB-CH2 4.35Å; A576-W589 HydrophobicContact CB-CZ3 4.01Å
577	K	95.8	Very high	93.4	Very high	142 Å²	142	63.8 Å²	63.8	62%	0.617	30%	0.299	S	S	*	.	H	α-helix	trans	-60.7	-42.2	173.8	-73.8	173.4	-178	179.3	0	111.6	N573 Q581	N573-K577 WeakPolarHBondContact O-CG 3.47Å; N573-K577 PolarHBondContact O-N 3.19Å; N573-K577 VanDerWaalsContact O-N 3.1Å; K577-Q581 WeakPolarHBondContact O-CB 3.35Å; K577-Q581 VanDerWaalsContact O-CG 3.25Å; K577-Q581 WeakPolarHBondContact O-CG 3.39Å; K577-Q581 PolarHBondContact O-N 3.41Å
578	K	94.3	Very high	93.4	Very high	65 Å²	65	67.4 Å²	67.4	28%	0.283	32%	0.315	S	S	.	.	H	α-helix	trans	-68.5	-39	179.1	-173.9	176.8	171.1	-171.7	0	112.7	F574 W575 A576 R582	F574-K578 PolarHBondContact O-N 3.48Å; F574-K578 VanDerWaalsContact O-N 3.16Å; W575-K578 HydrophobicContact CE3-CD 3.85Å; W575-K578 HydrophobicContact CZ3-CD 3.81Å; W575-K578 PolarHBondContact O-N 2.74Å; A576-K578 VanDerWaalsContact C-N 3.32Å; A576-K578 PolarHBondContact O-N 3.14Å; K578-R582 WeakPolarHBondContact O-CB 3.29Å; K578-R582 PolarHBondContact O-N 3.41Å; K578-R582 VanDerWaalsContact O-N 3.16Å
579	A	91.6	Very high	93.3	Very high	15 Å²	15	70.1 Å²	70.1	12%	0.124	33%	0.325	C	S	.	.	H	α-helix	trans	-63.5	-48.4	174.6	0	0	0	0	0	111	W575 A576 Q581 R582 H583 D584 L587	W575-A579 WeakPolarHBondContact O-CB 3.42Å; W575-A579 PolarHBondContact O-N 3.45Å; A576-A579 PolarHBondContact O-N 2.65Å; A579-Q581 PolarHBondContact O-N 3.25Å; A579-R582 PolarHBondContact O-N 3.26Å; A579-H583 PolarHBondContact O-N 3.25Å; A579-D584 PolarHBondContact O-N 3.18Å; A579-L587 HydrophobicContact CB-CD1 4.37Å; A579-L587 HydrophobicContact CB-CG 4.38Å
580	K	92.9	Very high	93.2	Very high	112 Å²	112	70.5 Å²	70.5	49%	0.487	32%	0.324	S	S	.	.	H	α-helix	trans	-60.5	-44.8	176.3	-172.1	160.7	-173.5	152	0	112.6	A576 R582 D584 I585	A576-K580 WeakPolarHBondContact O-CB 3.48Å; A576-K580 PolarHBondContact O-N 2.81Å; K580-R582 PolarHBondContact O-N 2.68Å; K580-D584 WeakPolarHBondContact O-CA 3.18Å; K580-D584 PolarHBondContact O-N 3.26Å; K580-I585 WeakPolarHBondContact CA-O 3.33Å; K580-I585 PolarHBondContact N-O 3.01Å
581	Q	94.1	Very high	93	Very high	162 Å²	162	71.1 Å²	71.1	76%	0.757	33%	0.329	S	S	*	.	H	α-helix	trans	-67.3	-29.2	-179.9	-76.3	174.7	-3.8	0	0	114.8	K577 A579	K577-Q581 WeakPolarHBondContact O-CB 3.35Å; K577-Q581 VanDerWaalsContact O-CG 3.25Å; K577-Q581 WeakPolarHBondContact O-CG 3.39Å; K577-Q581 PolarHBondContact O-N 3.41Å; A579-Q581 PolarHBondContact O-N 3.25Å
582	R	90.8	Very high	92.8	Very high	186 Å²	186	74.6 Å²	74.6	70%	0.702	35%	0.348	S	S	*	.	H	α-helix	trans	-104.8	-32.2	-173.6	-71.2	-173.8	172.2	-153.8	-4.7	114.8	K578 A579 K580	K578-R582 WeakPolarHBondContact O-CB 3.29Å; K578-R582 PolarHBondContact O-N 3.41Å; K578-R582 VanDerWaalsContact O-N 3.16Å; A579-R582 PolarHBondContact O-N 3.26Å; K580-R582 PolarHBondContact O-N 2.68Å
583	H	88.4	Confident	92.7	Very high	69 Å²	69	74.5 Å²	74.5	32%	0.319	35%	0.347	S	S	.	.	H	α-helix	trans	-126.4	-2.5	-171.1	-54.6	-81	0	0	0	112.8	A579 I585 Y626	A579-H583 PolarHBondContact O-N 3.25Å; H583-I585 VanDerWaalsContact C-N 3.28Å; H583-I585 HydrophobicContact CB-CD1 3.81Å; H583-I585 HydrophobicContact CB-CG1 3.92Å; H583-I585 PolarHBondContact O-N 3.07Å; H583-Y626 HydrophobicContact CB-CE2 4.36Å; H583-Y626 AromaticContact CE1-CZ 3.87Å; H583-Y626 AromaticContact ND1-CD2 4Å; H583-Y626 AromaticContact ND1-CE2 3.27Å; H583-Y626 VanDerWaalsContact ND1-CE2 3.27Å; H583-Y626 WeakPolarHBondContact ND1-CE2 3.49Å; H583-Y626 AromaticContact ND1-CZ 3.39Å; H583-Y626 PolarHBondContact ND1-OH 3.03Å
584	D	90.6	Very high	92.6	Very high	93 Å²	93	72.3 Å²	72.3	50%	0.497	34%	0.335	S	S	.	.			trans	53.8	42.7	-173.6	-158.2	25.7	0	0	0	113.1	A579 K580 G634	A579-D584 PolarHBondContact O-N 3.18Å; K580-D584 WeakPolarHBondContact O-CA 3.18Å; K580-D584 PolarHBondContact O-N 3.26Å; D584-G634 CarbonylContact O-C 3.59Å; D584-G634 WeakPolarHBondContact O-CA 3.42Å; D584-G634 PolarHBondContact O-N 3.43Å
585	I	90.8	Very high	92.5	Very high	10 Å²	10	69.1 Å²	69.1	5%	0.051	32%	0.323	C	S	.	.			trans	-106.9	129.2	178.2	-61.9	176.4	0	0	0	109	K580 H583 L587 L631 L637	K580-I585 WeakPolarHBondContact CA-O 3.33Å; K580-I585 PolarHBondContact N-O 3.01Å; H583-I585 VanDerWaalsContact C-N 3.28Å; H583-I585 HydrophobicContact CB-CD1 3.81Å; H583-I585 HydrophobicContact CB-CG1 3.92Å; H583-I585 PolarHBondContact O-N 3.07Å; I585-L587 HydrophobicContact CG2-CD2 3.96Å; I585-L631 HydrophobicContact CD1-CB 4.21Å; I585-L631 HydrophobicContact CD1-CD1 3.99Å; I585-L637 HydrophobicContact CG2-CB 4.49Å; I585-L637 HydrophobicContact CG2-CD1 3.66Å; I585-L637 HydrophobicContact CG2-CG 4.06Å
586	T	93.1	Very high	92.3	Very high	41 Å²	41	68.2 Å²	68.2	25%	0.252	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118.1	174.7	-63.1	0	0	0	0	109.7	C635 T636 L637	T586-C635 PolarHBondContact N-O 3.4Å; T586-T636 CarbonylContact O-C 3.56Å; T586-T636 WeakPolarHBondContact O-CA 3.37Å; T586-L637 PolarHBondContact O-N 3.43Å
587	L	92.8	Very high	92.3	Very high	16 Å²	16	67.5 Å²	67.5	8%	0.084	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	138.1	176	-57.6	-174.3	0	0	0	111.3	A576 A579 I585 W589 L622 L637	A576-L587 HydrophobicContact CB-CB 3.94Å; A576-L587 HydrophobicContact CB-CD1 4.1Å; A576-L587 HydrophobicContact CB-CG 4.26Å; A579-L587 HydrophobicContact CB-CD1 4.37Å; A579-L587 HydrophobicContact CB-CG 4.38Å; I585-L587 HydrophobicContact CG2-CD2 3.96Å; L587-W589 HydrophobicContact CB-CE3 4.37Å; L587-W589 HydrophobicContact CB-CZ3 4.17Å; L587-L622 HydrophobicContact CD1-CD1 3.98Å; L587-L622 HydrophobicContact CD2-CD1 4.27Å; L587-L622 HydrophobicContact CD2-CD2 4.16Å; L587-L637 CarbonylContact C-O 3.1Å; L587-L637 HydrophobicContact CD2-CB 3.87Å; L587-L637 HydrophobicContact CD2-CD1 3.99Å
588	Q	93	Very high	92.2	Very high	100 Å²	100	61 Å²	61	47%	0.467	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	155.8	169.4	-61.9	-177.5	-1.9	0	0	108.6	T636 L637 R638 L639	Q588-T636 HydrophobicContact CG-CG2 4.02Å; Q588-L637 PolarHBondContact N-O 2.99Å; Q588-R638 CarbonylContact O-C 3.57Å; Q588-R638 WeakPolarHBondContact O-CA 3.27Å; Q588-L639 PolarHBondContact O-N 3.26Å
589	W	94.3	Very high	91.9	Very high	57 Å²	57	61.1 Å²	61.1	22%	0.216	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	147.4	-179.6	53.2	84.3	0	0	0	112.8	L572 A576 L587 V593 L639	L572-W589 HydrophobicContact CB-CD2 4.34Å; L572-W589 HydrophobicContact CB-CE3 4.32Å; L572-W589 HydrophobicContact CB-CH2 3.87Å; L572-W589 HydrophobicContact CB-CZ2 3.86Å; L572-W589 HydrophobicContact CB-CZ3 4.11Å; L572-W589 HydrophobicContact CD1-CD2 3.96Å; L572-W589 HydrophobicContact CD1-CG 4.05Å; A576-W589 HydrophobicContact CB-CH2 4.35Å; A576-W589 HydrophobicContact CB-CZ3 4.01Å; L587-W589 HydrophobicContact CB-CE3 4.37Å; L587-W589 HydrophobicContact CB-CZ3 4.17Å; W589-V593 HydrophobicContact CB-CB 4.36Å; W589-V593 HydrophobicContact CB-CG1 4.46Å; W589-V593 HydrophobicContact CB-CG2 4.47Å; W589-L639 WeakPolarHBondContact CA-O 3.34Å; W589-L639 HydrophobicContact CB-CB 3.84Å; W589-L639 HydrophobicContact CB-CD1 4.09Å; W589-L639 HydrophobicContact CB-CG 4.29Å
590	D	91.9	Very high	91.8	Very high	43 Å²	43	61.4 Å²	61.4	23%	0.23	31%	0.312	C	S	.	.			trans	-79.4	157.7	175	-63.9	-26.4	0	0	0	111.9	L592 V593 R638 L639	D590-L592 VanDerWaalsContact C-N 3.27Å; D590-L592 PolarHBondContact O-N 3.1Å; D590-V593 HydrophobicContact CB-CG2 4.46Å; D590-V593 WeakPolarHBondContact O-CB 3.36Å; D590-V593 PolarHBondContact O-N 3.37Å; D590-R638 IonicContact OD1-CZ 2.8Å; D590-R638 VanDerWaalsContact OD1-CZ 3.23Å; D590-R638 IonicContact OD1-NE 3Å; D590-R638 PolarHBondContact OD1-NE 3.35Å; D590-R638 IonicContact OD1-NH2 3.48Å; D590-R638 PolarHBondContact OD1-NH2 3.19Å; D590-R638 IonicContact OD2-CZ 3.38Å; D590-R638 IonicContact OD2-NE 3.91Å; D590-R638 IonicContact OD2-NH2 3.95Å; D590-L639 PolarHBondContact N-O 2.99Å
591	H	90.1	Very high	91.9	Very high	120 Å²	120	58.5 Å²	58.5	56%	0.556	30%	0.299	S	S	*	.	H	α-helix	trans	-57.3	-39.8	179.7	-175.3	23	0	0	0	112.5	V593 L594 D595	H591-V593 PolarHBondContact O-N 3.38Å; H591-V593 VanDerWaalsContact O-N 3.12Å; H591-L594 WeakPolarHBondContact O-CA 3.2Å; H591-L594 VanDerWaalsContact O-CB 3.24Å; H591-L594 WeakPolarHBondContact O-CB 3.19Å; H591-L594 PolarHBondContact O-N 2.84Å; H591-D595 IonicContact CE1-OD1 2.68Å; H591-D595 PolarHBondContact CE1-OD1 2.8Å; H591-D595 IonicContact ND1-OD1 3.92Å; H591-D595 PolarHBondContact O-N 3.07Å
592	L	90.9	Very high	91.7	Very high	104 Å²	104	53.7 Å²	53.7	55%	0.545	28%	0.278	S	S	.	.	H	α-helix	trans	-58.9	-25.4	178.2	-59.6	176.3	0	0	0	113.4	D590 L594 D595 L596 V641	D590-L592 VanDerWaalsContact C-N 3.27Å; D590-L592 PolarHBondContact O-N 3.1Å; L592-L594 VanDerWaalsContact C-N 3.32Å; L592-D595 PolarHBondContact O-N 3.22Å; L592-L596 WeakPolarHBondContact O-CB 3.39Å; L592-L596 PolarHBondContact O-N 3.34Å; L592-V641 HydrophobicContact CB-CB 4.15Å; L592-V641 HydrophobicContact CB-CG2 4.04Å
593	V	92	Very high	91.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-67.9	-35.7	174.4	179.7	0	0	0	0	110.6	W589 D590 H591 L597 L639 V641 L654	W589-V593 HydrophobicContact CB-CB 4.36Å; W589-V593 HydrophobicContact CB-CG1 4.46Å; W589-V593 HydrophobicContact CB-CG2 4.47Å; D590-V593 HydrophobicContact CB-CG2 4.46Å; D590-V593 WeakPolarHBondContact O-CB 3.36Å; D590-V593 PolarHBondContact O-N 3.37Å; H591-V593 PolarHBondContact O-N 3.38Å; H591-V593 VanDerWaalsContact O-N 3.12Å; V593-L597 HydrophobicContact CG1-CD1 3.74Å; V593-L597 HydrophobicContact CG1-CG 4.46Å; V593-L597 WeakPolarHBondContact O-CB 3.33Å; V593-L597 WeakPolarHBondContact O-CD1 3.33Å; V593-L597 VanDerWaalsContact O-CG 3.23Å; V593-L597 WeakPolarHBondContact O-CG 3.42Å; V593-L597 PolarHBondContact O-N 3.12Å; V593-L597 VanDerWaalsContact O-N 3.12Å; V593-L639 HydrophobicContact CG1-CB 4.24Å; V593-L639 HydrophobicContact CG1-CD1 4.49Å; V593-L639 HydrophobicContact CG2-CB 3.98Å; V593-L639 WeakPolarHBondContact CG2-O 3.34Å; V593-V641 HydrophobicContact CB-CG2 4.3Å; V593-V641 HydrophobicContact CG2-CG2 3.73Å; V593-L654 HydrophobicContact CG1-CD1 3.88Å
594	L	93.8	Very high	91.6	Very high	22 Å²	22	49.1 Å²	49.1	12%	0.115	27%	0.266	C	S	.	.	H	α-helix	trans	-65.1	-45.4	175.2	-55.8	178.3	0	0	0	110.5	L565 V568 L572 H591 L592 L597 A598	L565-L594 HydrophobicContact CD2-CB 3.64Å; V568-L594 HydrophobicContact CB-CD2 4.34Å; V568-L594 HydrophobicContact CG1-CD2 3.72Å; L572-L594 HydrophobicContact CD1-CD2 3.66Å; H591-L594 WeakPolarHBondContact O-CA 3.2Å; H591-L594 VanDerWaalsContact O-CB 3.24Å; H591-L594 WeakPolarHBondContact O-CB 3.19Å; H591-L594 PolarHBondContact O-N 2.84Å; L592-L594 VanDerWaalsContact C-N 3.32Å; L594-L597 PolarHBondContact O-N 2.78Å; L594-A598 VanDerWaalsContact O-CB 3.27Å; L594-A598 WeakPolarHBondContact O-CB 3.19Å; L594-A598 PolarHBondContact O-N 3.44Å
595	D	92.3	Very high	91.4	Very high	41 Å²	41	51.6 Å²	51.6	22%	0.219	27%	0.27	C	S	.	.	H	α-helix	trans	-63.3	-44.2	-179.9	-54	-23.1	0	0	0	111.4	Y561 L565 H591 L592 L597 A598 G599	Y561-D595 WeakPolarHBondContact OH-CB 3.43Å; Y561-D595 PolarHBondContact OH-OD1 3.08Å; L565-D595 VanDerWaalsContact CD2-OD1 3.25Å; L565-D595 WeakPolarHBondContact CD2-OD1 3.39Å; H591-D595 IonicContact CE1-OD1 2.68Å; H591-D595 PolarHBondContact CE1-OD1 2.8Å; H591-D595 IonicContact ND1-OD1 3.92Å; H591-D595 PolarHBondContact O-N 3.07Å; L592-D595 PolarHBondContact O-N 3.22Å; D595-L597 PolarHBondContact O-N 2.78Å; D595-A598 PolarHBondContact O-N 3.25Å; D595-G599 PolarHBondContact O-N 3.45Å; D595-G599 VanDerWaalsContact O-N 3.08Å
596	L	91.6	Very high	91.4	Very high	20 Å²	20	51.1 Å²	51.1	11%	0.105	27%	0.267	C	S	.	.	H	α-helix	trans	-58.4	-45.8	176.3	177.7	60.9	0	0	0	112.4	L592 G599 V641 P652 L654	L592-L596 WeakPolarHBondContact O-CB 3.39Å; L592-L596 PolarHBondContact O-N 3.34Å; L596-G599 PolarHBondContact O-N 2.85Å; L596-V641 HydrophobicContact CB-CG2 4.15Å; L596-V641 HydrophobicContact CD2-CG1 4.09Å; L596-V641 HydrophobicContact CD2-CG2 3.74Å; L596-P652 HydrophobicContact CD1-CB 3.91Å; L596-P652 HydrophobicContact CD1-CG 3.6Å; L596-L654 HydrophobicContact CD2-CB 4.22Å
597	L	92.8	Very high	91.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-76	-33	-178.7	-68.1	167.1	0	0	0	111.8	V568 L572 V593 L594 D595 G599 G600 I610 E613 V614 R617 V618	V568-L597 HydrophobicContact CG1-CB 3.67Å; V568-L597 HydrophobicContact CG1-CD1 3.79Å; V568-L597 HydrophobicContact CG1-CG 4.4Å; V568-L597 HydrophobicContact CG2-CB 4.1Å; L572-L597 HydrophobicContact CD1-CD1 4.1Å; L572-L597 HydrophobicContact CD2-CD1 4.12Å; L572-L597 HydrophobicContact CG-CD1 4.4Å; V593-L597 HydrophobicContact CG1-CD1 3.74Å; V593-L597 HydrophobicContact CG1-CG 4.46Å; V593-L597 WeakPolarHBondContact O-CB 3.33Å; V593-L597 WeakPolarHBondContact O-CD1 3.33Å; V593-L597 VanDerWaalsContact O-CG 3.23Å; V593-L597 WeakPolarHBondContact O-CG 3.42Å; V593-L597 PolarHBondContact O-N 3.12Å; V593-L597 VanDerWaalsContact O-N 3.12Å; L594-L597 PolarHBondContact O-N 2.78Å; D595-L597 PolarHBondContact O-N 2.78Å; L597-G599 PolarHBondContact O-N 2.97Å; L597-G600 PolarHBondContact O-N 2.68Å; L597-G600 VanDerWaalsContact O-N 3.07Å; L597-I610 VanDerWaalsContact O-CD1 3.32Å; L597-I610 WeakPolarHBondContact O-CD1 3.44Å; L597-E613 HydrophobicContact CD2-CG 4.28Å; L597-V614 HydrophobicContact CD1-CG2 4.23Å; L597-V614 HydrophobicContact CD2-CG2 4.42Å; L597-R617 HydrophobicContact CD2-CB 4.17Å; L597-V618 HydrophobicContact CD1-CG2 4.08Å; L597-V618 HydrophobicContact CD2-CG2 4.28Å
598	A	93.4	Very high	91.2	Very high	4 Å²	4	55.6 Å²	55.6	3%	0.033	28%	0.283	C	S	.	.	H	α-helix	trans	-62.6	-32	172	0	0	0	0	0	111.9	Y561 L564 L565 V568 L594 D595 G600 Y601	Y561-A598 HydrophobicContact CE2-CB 4.1Å; L564-A598 HydrophobicContact CB-CB 4.26Å; L565-A598 HydrophobicContact CD2-CB 4.08Å; V568-A598 HydrophobicContact CG2-CB 4.28Å; L594-A598 VanDerWaalsContact O-CB 3.27Å; L594-A598 WeakPolarHBondContact O-CB 3.19Å; L594-A598 PolarHBondContact O-N 3.44Å; D595-A598 PolarHBondContact O-N 3.25Å; A598-G600 PolarHBondContact O-N 3.09Å; A598-Y601 VanDerWaalsContact O-CB 3.28Å; A598-Y601 WeakPolarHBondContact O-CB 3.47Å; A598-Y601 PolarHBondContact O-N 3.2Å; A598-Y601 VanDerWaalsContact O-N 3.08Å
599	G	89.6	Confident	91.3	Very high	68 Å²	68	51.5 Å²	51.5	70%	0.701	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-16.9	171.6	0	0	0	0	0	114.9	D595 L596 L597 Y601	D595-G599 PolarHBondContact O-N 3.45Å; D595-G599 VanDerWaalsContact O-N 3.08Å; L596-G599 PolarHBondContact O-N 2.85Å; L597-G599 PolarHBondContact O-N 2.97Å; G599-Y601 VanDerWaalsContact C-N 3.26Å; G599-Y601 PolarHBondContact O-N 3.08Å
600	G	89.2	Confident	91.2	Very high	22 Å²	22	48.8 Å²	48.8	23%	0.227	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	3.1	172.4	0	0	0	0	0	114.9	L597 A598 N602	L597-G600 PolarHBondContact O-N 2.68Å; L597-G600 VanDerWaalsContact O-N 3.07Å; A598-G600 PolarHBondContact O-N 3.09Å; G600-N602 PolarHBondContact O-N 3.33Å
601	Y	93.6	Very high	91.3	Very high	50 Å²	50	50.8 Å²	50.8	20%	0.196	26%	0.262	C	S	.	.			trans	-66.1	131	-178.9	179.6	-116.9	0	0	0	112.9	F559 L564 A598 G599 L603 I610	F559-Y601 HydrophobicContact CD2-CE2 4.02Å; F559-Y601 PolarHBondContact N-OH 3Å; L564-Y601 HydrophobicContact CD1-CD1 3.77Å; L564-Y601 HydrophobicContact CD1-CD2 4.36Å; L564-Y601 HydrophobicContact CD1-CE1 4.37Å; L564-Y601 HydrophobicContact CD1-CG 3.74Å; L564-Y601 HydrophobicContact CD2-CD1 4.25Å; L564-Y601 HydrophobicContact CD2-CD2 3.4Å; L564-Y601 HydrophobicContact CD2-CE2 3.75Å; L564-Y601 HydrophobicContact CD2-CG 3.66Å; L564-Y601 HydrophobicContact CG-CG 4.37Å; A598-Y601 VanDerWaalsContact O-CB 3.28Å; A598-Y601 WeakPolarHBondContact O-CB 3.47Å; A598-Y601 PolarHBondContact O-N 3.2Å; A598-Y601 VanDerWaalsContact O-N 3.08Å; G599-Y601 VanDerWaalsContact C-N 3.26Å; G599-Y601 PolarHBondContact O-N 3.08Å; Y601-L603 HydrophobicContact CE1-CD1 4.4Å; Y601-I610 HydrophobicContact CD2-CG1 4.26Å
602	N	91.9	Very high	91.4	Very high	62 Å²	62	50.4 Å²	50.4	33%	0.332	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-119.1	125.2	171.8	-174.6	-53.6	0	0	0	111.1	G600 H604 Y605 G606 S609	G600-N602 PolarHBondContact O-N 3.33Å; N602-H604 VanDerWaalsContact C-N 3.3Å; N602-H604 PolarHBondContact O-N 3.13Å; N602-H604 PolarHBondContact OD1-N 3.41Å; N602-Y605 HydrophobicContact CB-CD2 4.15Å; N602-Y605 PolarHBondContact O-N 3.06Å; N602-G606 PolarHBondContact O-N 3.36Å; N602-S609 PolarHBondContact N-OG 3.23Å
603	L	88.3	Confident	91.5	Very high	48 Å²	48	46.6 Å²	46.6	25%	0.251	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-35	-175.8	-168.9	62.7	0	0	0	114.8	S370 A491 L495 P558 Y601	S370-L603 WeakPolarHBondContact CB-O 3.21Å; S370-L603 PolarHBondContact OG-O 3.4Å; S370-L603 VanDerWaalsContact OG-O 3.08Å; A491-L603 HydrophobicContact CB-CD1 4.1Å; A491-L603 HydrophobicContact CB-CD2 3.99Å; A491-L603 HydrophobicContact CB-CG 4.11Å; L495-L603 HydrophobicContact CD1-CD2 4.21Å; P558-L603 HydrophobicContact CB-CD1 3.51Å; P558-L603 HydrophobicContact CG-CD1 3.52Å; Y601-L603 HydrophobicContact CE1-CD1 4.4Å
604	H	87.4	Confident	91.6	Very high	111 Å²	111	46.6 Å²	46.6	51%	0.514	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-31.8	-177.3	-57.1	-78	0	0	0	112.4	S371 N602	S371-H604 PolarHBondContact N-O 3.4Å; N602-H604 VanDerWaalsContact C-N 3.3Å; N602-H604 PolarHBondContact O-N 3.13Å; N602-H604 PolarHBondContact OD1-N 3.41Å
605	Y	87.1	Confident	91.6	Very high	145 Å²	145	48 Å²	48	57%	0.569	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-8.8	-178	-61.5	-69.8	0	0	0	113.9	S371 N602 R608	S371-Y605 CarbonylContact O-C 3.58Å; N602-Y605 HydrophobicContact CB-CD2 4.15Å; N602-Y605 PolarHBondContact O-N 3.06Å; Y605-R608 WeakPolarHBondContact O-CB 3.18Å; Y605-R608 PolarHBondContact O-N 3.2Å
606	G	89.9	Confident	91.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	57.3	-141.3	176.7	0	0	0	0	0	112	S371 N602 R608 S609	S371-G606 WeakPolarHBondContact O-CA 3.41Å; S371-G606 PolarHBondContact O-N 3.34Å; N602-G606 PolarHBondContact O-N 3.36Å; G606-R608 PolarHBondContact O-N 3.49Å; G606-S609 PolarHBondContact O-N 3.16Å; G606-S609 VanDerWaalsContact O-N 3.12Å; G606-S609 PolarHBondContact O-OG 2.87Å
607	A	90.5	Very high	91.5	Very high	23 Å²	23	56.6 Å²	56.6	19%	0.19	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-19.1	-179.2	0	0	0	0	0	114.5	G372 F559 L567 S609 I610 K611	G372-A607 VanDerWaalsContact O-CB 3.23Å; G372-A607 WeakPolarHBondContact O-CB 3.39Å; G372-A607 PolarHBondContact O-N 3.12Å; F559-A607 HydrophobicContact CE2-CB 3.89Å; F559-A607 HydrophobicContact CZ-CB 4.42Å; L567-A607 HydrophobicContact CD1-CB 3.5Å; L567-A607 HydrophobicContact CD2-CB 4.04Å; L567-A607 HydrophobicContact CG-CB 4.4Å; A607-S609 PolarHBondContact O-N 3.3Å; A607-I610 PolarHBondContact O-N 3.12Å; A607-K611 PolarHBondContact O-N 2.92Å; A607-K611 VanDerWaalsContact O-N 3.16Å
608	R	91.8	Very high	91.4	Very high	127 Å²	127	56.6 Å²	56.6	48%	0.479	27%	0.274	S	S	.	.	H	α-helix	trans	-63	-33.5	177.1	-60.1	177.9	-179.1	-179.8	3.7	111.2	S371 Y605 G606 K611 H612	S371-R608 PolarHBondContact OG-NH1 2.92Å; Y605-R608 WeakPolarHBondContact O-CB 3.18Å; Y605-R608 PolarHBondContact O-N 3.2Å; G606-R608 PolarHBondContact O-N 3.49Å; R608-K611 PolarHBondContact O-N 2.86Å; R608-H612 PolarHBondContact O-CD2 2.96Å; R608-H612 PolarHBondContact O-N 2.58Å
609	S	94.1	Very high	91.3	Very high	15 Å²	15	57.7 Å²	57.7	11%	0.105	28%	0.28	C	S	.	.	H	α-helix	trans	-60.7	-51.3	176.2	60.5	0	0	0	0	112.1	N602 G606 A607 K611 H612 E613	N602-S609 PolarHBondContact N-OG 3.23Å; G606-S609 PolarHBondContact O-N 3.16Å; G606-S609 VanDerWaalsContact O-N 3.12Å; G606-S609 PolarHBondContact O-OG 2.87Å; A607-S609 PolarHBondContact O-N 3.3Å; S609-K611 VanDerWaalsContact C-N 3.33Å; S609-K611 PolarHBondContact O-N 3.07Å; S609-H612 PolarHBondContact O-N 3.09Å; S609-E613 PolarHBondContact O-N 3.18Å
610	I	94.1	Very high	91.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-56.4	-46	175.5	-64.7	-59.5	0	0	0	111.5	L564 L567 V568 L597 Y601 A607 H612 E613 V614	L564-I610 HydrophobicContact CD2-CD1 4.43Å; L564-I610 HydrophobicContact CD2-CG1 4.15Å; L567-I610 HydrophobicContact CD2-CB 3.81Å; L567-I610 HydrophobicContact CD2-CG1 4.28Å; L567-I610 HydrophobicContact CD2-CG2 3.58Å; V568-I610 HydrophobicContact CB-CG2 4.38Å; V568-I610 HydrophobicContact CG2-CD1 4.12Å; V568-I610 HydrophobicContact CG2-CG2 3.58Å; L597-I610 VanDerWaalsContact O-CD1 3.32Å; L597-I610 WeakPolarHBondContact O-CD1 3.44Å; Y601-I610 HydrophobicContact CD2-CG1 4.26Å; A607-I610 PolarHBondContact O-N 3.12Å; I610-H612 VanDerWaalsContact C-N 3.35Å; I610-H612 PolarHBondContact O-N 3.48Å; I610-E613 PolarHBondContact O-N 3.06Å; I610-V614 HydrophobicContact CG2-CG2 4.34Å; I610-V614 WeakPolarHBondContact O-CG2 3.4Å; I610-V614 PolarHBondContact O-N 3.18Å
611	K	93	Very high	91.4	Very high	84 Å²	84	60.8 Å²	60.8	37%	0.365	27%	0.273	S	S	.	.	H	α-helix	trans	-58.6	-47.6	178.3	178.5	169.7	179.2	-172.5	0	111.7	A607 R608 S609 E613 V614 E615	A607-K611 PolarHBondContact O-N 2.92Å; A607-K611 VanDerWaalsContact O-N 3.16Å; R608-K611 PolarHBondContact O-N 2.86Å; S609-K611 VanDerWaalsContact C-N 3.33Å; S609-K611 PolarHBondContact O-N 3.07Å; K611-E613 VanDerWaalsContact C-N 3.32Å; K611-E613 PolarHBondContact O-N 2.85Å; K611-V614 PolarHBondContact O-N 3.48Å; K611-E615 WeakPolarHBondContact CE-OE1 3.3Å; K611-E615 IonicContact NZ-OE1 2.7Å; K611-E615 WeakPolarHBondContact O-CB 3.4Å; K611-E615 WeakPolarHBondContact O-CG 3.34Å; K611-E615 PolarHBondContact O-N 2.97Å
612	H	92.4	Very high	91.2	Very high	113 Å²	113	59.6 Å²	59.6	52%	0.523	27%	0.27	S	S	.	.	H	α-helix	trans	-66.2	-32.3	177.4	-69	-44.7	0	0	0	112.9	R608 S609 I610 E615 R616	R608-H612 PolarHBondContact O-CD2 2.96Å; R608-H612 PolarHBondContact O-N 2.58Å; S609-H612 PolarHBondContact O-N 3.09Å; I610-H612 VanDerWaalsContact C-N 3.35Å; I610-H612 PolarHBondContact O-N 3.48Å; H612-E615 IonicContact CE1-OE2 3.55Å; H612-E615 IonicContact ND1-OE2 3.81Å; H612-E615 PolarHBondContact ND1-OE2 2.86Å; H612-R616 WeakPolarHBondContact O-CB 3.5Å; H612-R616 PolarHBondContact O-N 3.45Å
613	E	93.3	Very high	91.1	Very high	24 Å²	24	58.8 Å²	58.8	11%	0.112	27%	0.272	C	S	.	.	H	α-helix	trans	-71.4	-38.8	176.4	-165.8	72.5	164.3	0	0	112.1	L597 S609 I610 K611 R616 R617	L597-E613 HydrophobicContact CD2-CG 4.28Å; S609-E613 PolarHBondContact O-N 3.18Å; I610-E613 PolarHBondContact O-N 3.06Å; K611-E613 VanDerWaalsContact C-N 3.32Å; K611-E613 PolarHBondContact O-N 2.85Å; E613-R616 PolarHBondContact O-N 3.1Å; E613-R617 HydrophobicContact CG-CG 4.41Å; E613-R617 WeakPolarHBondContact O-CB 3.38Å; E613-R617 PolarHBondContact O-N 3.01Å; E613-R617 IonicContact OE1-CZ 2.79Å; E613-R617 IonicContact OE1-NE 3.56Å; E613-R617 PolarHBondContact OE1-NE 3.4Å; E613-R617 IonicContact OE1-NH2 3.74Å; E613-R617 PolarHBondContact OE1-NH2 3.43Å
614	V	94	Very high	91.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-47.1	171.1	174.2	0	0	0	0	110.8	E571 L572 L597 I610 K611 R616 V618 V619	E571-V614 HydrophobicContact CB-CG2 4.4Å; E571-V614 HydrophobicContact CG-CB 4.08Å; E571-V614 HydrophobicContact CG-CG1 3.97Å; E571-V614 HydrophobicContact CG-CG2 4.19Å; L572-V614 HydrophobicContact CD2-CG1 3.94Å; L597-V614 HydrophobicContact CD1-CG2 4.23Å; L597-V614 HydrophobicContact CD2-CG2 4.42Å; I610-V614 HydrophobicContact CG2-CG2 4.34Å; I610-V614 WeakPolarHBondContact O-CG2 3.4Å; I610-V614 PolarHBondContact O-N 3.18Å; K611-V614 PolarHBondContact O-N 3.48Å; V614-R616 VanDerWaalsContact C-N 3.35Å; V614-R616 PolarHBondContact O-N 3.39Å; V614-V618 HydrophobicContact CG1-CB 4.49Å; V614-V618 WeakPolarHBondContact O-CA 3.45Å; V614-V618 VanDerWaalsContact O-CB 3.31Å; V614-V618 WeakPolarHBondContact O-CB 3.43Å; V614-V618 PolarHBondContact O-N 3.02Å; V614-V619 PolarHBondContact O-N 3.42Å; V614-V619 VanDerWaalsContact O-N 3.16Å
615	E	93.4	Very high	91.2	Very high	51 Å²	51	52.5 Å²	52.5	24%	0.238	25%	0.246	C	C	.	.	I	π-helix	trans	-58.3	-47.5	174.7	-73.9	173.3	161.4	0	0	110.8	W575 K611 H612 V619 N620	W575-E615 HydrophobicContact CZ2-CG 3.89Å; K611-E615 WeakPolarHBondContact CE-OE1 3.3Å; K611-E615 IonicContact NZ-OE1 2.7Å; K611-E615 WeakPolarHBondContact O-CB 3.4Å; K611-E615 WeakPolarHBondContact O-CG 3.34Å; K611-E615 PolarHBondContact O-N 2.97Å; H612-E615 IonicContact CE1-OE2 3.55Å; H612-E615 IonicContact ND1-OE2 3.81Å; H612-E615 PolarHBondContact ND1-OE2 2.86Å; E615-V619 WeakPolarHBondContact O-CB 3.45Å; E615-V619 PolarHBondContact O-N 3.37Å; E615-N620 PolarHBondContact O-N 3.16Å; E615-N620 PolarHBondContact O-OD1 3.31Å
616	R	91.3	Very high	91.2	Very high	176 Å²	176	51 Å²	51	66%	0.664	24%	0.241	S	C	*	.	I	π-helix	trans	-68	-43.8	-176.2	-176.9	-178.2	-178.2	-175.8	2.2	114.1	H612 E613 V614 N620	H612-R616 WeakPolarHBondContact O-CB 3.5Å; H612-R616 PolarHBondContact O-N 3.45Å; E613-R616 PolarHBondContact O-N 3.1Å; V614-R616 VanDerWaalsContact C-N 3.35Å; V614-R616 PolarHBondContact O-N 3.39Å; R616-N620 WeakPolarHBondContact O-CB 3.41Å; R616-N620 PolarHBondContact O-ND2 2.97Å
617	R	90.3	Very high	91.1	Very high	65 Å²	65	58.7 Å²	58.7	25%	0.245	28%	0.276	C	S	.	.	I	π-helix	trans	-91.4	-40.2	-175.4	-65.2	-160.6	-169.2	-149.5	9.1	113.3	L597 E613 Q621 P652	L597-R617 HydrophobicContact CD2-CB 4.17Å; E613-R617 HydrophobicContact CG-CG 4.41Å; E613-R617 WeakPolarHBondContact O-CB 3.38Å; E613-R617 PolarHBondContact O-N 3.01Å; E613-R617 IonicContact OE1-CZ 2.79Å; E613-R617 IonicContact OE1-NE 3.56Å; E613-R617 PolarHBondContact OE1-NE 3.4Å; E613-R617 IonicContact OE1-NH2 3.74Å; E613-R617 PolarHBondContact OE1-NH2 3.43Å; R617-Q621 VanDerWaalsContact O-CD 3.26Å; R617-Q621 WeakPolarHBondContact O-CG 3.49Å; R617-Q621 PolarHBondContact O-OE1 3.4Å; R617-P652 PolarHBondContact NH1-O 2.66Å
618	V	91.3	Very high	90.9	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.006	28%	0.283	C	S	.	.	I	π-helix	trans	-96.4	-55.6	-173.8	-174.3	0	0	0	0	110.7	L572 L597 V614 N620 Q621 L622 L639 L654	L572-V618 HydrophobicContact CD2-CG1 4.36Å; L572-V618 HydrophobicContact CD2-CG2 4.12Å; L597-V618 HydrophobicContact CD1-CG2 4.08Å; L597-V618 HydrophobicContact CD2-CG2 4.28Å; V614-V618 HydrophobicContact CG1-CB 4.49Å; V614-V618 WeakPolarHBondContact O-CA 3.45Å; V614-V618 VanDerWaalsContact O-CB 3.31Å; V614-V618 WeakPolarHBondContact O-CB 3.43Å; V614-V618 PolarHBondContact O-N 3.02Å; V618-N620 PolarHBondContact O-N 3.21Å; V618-Q621 PolarHBondContact O-N 2.95Å; V618-L622 HydrophobicContact CG1-CD1 3.88Å; V618-L622 HydrophobicContact CG1-CG 4.42Å; V618-L622 WeakPolarHBondContact O-CG 3.47Å; V618-L622 PolarHBondContact O-N 2.99Å; V618-L639 HydrophobicContact CG1-CD1 3.79Å; V618-L639 HydrophobicContact CG1-CD2 4.19Å; V618-L639 HydrophobicContact CG2-CD1 4.49Å; V618-L654 HydrophobicContact CG2-CD1 3.77Å
619	V	91.9	Very high	90.6	Very high	27 Å²	27	63.3 Å²	63.3	16%	0.164	30%	0.299	C	S	.	.	I	π-helix	trans	-67.8	-40.7	-172.2	-175.2	0	0	0	0	111.6	W575 V614 E615 Q621 L622 A623	W575-V619 HydrophobicContact CD2-CG2 3.51Å; W575-V619 HydrophobicContact CE3-CG1 3.98Å; W575-V619 HydrophobicContact CE3-CG2 3.72Å; W575-V619 HydrophobicContact CG-CG2 3.88Å; W575-V619 HydrophobicContact CH2-CG1 3.95Å; W575-V619 HydrophobicContact CH2-CG2 4.24Å; W575-V619 HydrophobicContact CZ2-CG2 4.1Å; W575-V619 HydrophobicContact CZ3-CG1 3.62Å; W575-V619 HydrophobicContact CZ3-CG2 4.06Å; V614-V619 PolarHBondContact O-N 3.42Å; V614-V619 VanDerWaalsContact O-N 3.16Å; E615-V619 WeakPolarHBondContact O-CB 3.45Å; E615-V619 PolarHBondContact O-N 3.37Å; V619-Q621 PolarHBondContact O-N 3.4Å; V619-L622 PolarHBondContact O-N 3.4Å; V619-A623 WeakPolarHBondContact O-CB 3.28Å; V619-A623 PolarHBondContact O-N 3.45Å
620	N	91.6	Very high	90.1	Very high	97 Å²	97	65.6 Å²	65.6	52%	0.519	31%	0.31	S	S	.	.	H	α-helix	trans	-63.5	-39.2	175.6	-70.2	-10.2	0	0	0	112.9	E615 R616 V618 A623 A624	E615-N620 PolarHBondContact O-N 3.16Å; E615-N620 PolarHBondContact O-OD1 3.31Å; R616-N620 WeakPolarHBondContact O-CB 3.41Å; R616-N620 PolarHBondContact O-ND2 2.97Å; V618-N620 PolarHBondContact O-N 3.21Å; N620-A623 PolarHBondContact O-N 3.28Å; N620-A624 WeakPolarHBondContact O-CB 3.42Å; N620-A624 PolarHBondContact O-N 3.12Å
621	Q	88.8	Confident	89.6	Confident	58 Å²	58	66.4 Å²	66.4	27%	0.271	32%	0.315	S	S	.	.	H	α-helix	trans	-68.4	-41.7	175.8	-74.6	-173.3	-8.7	0	0	111.5	R617 V618 V619 A623 A624 A625 L654 L656 I670	R617-Q621 VanDerWaalsContact O-CD 3.26Å; R617-Q621 WeakPolarHBondContact O-CG 3.49Å; R617-Q621 PolarHBondContact O-OE1 3.4Å; V618-Q621 PolarHBondContact O-N 2.95Å; V619-Q621 PolarHBondContact O-N 3.4Å; Q621-A623 VanDerWaalsContact C-N 3.32Å; Q621-A623 PolarHBondContact O-N 2.97Å; Q621-A624 PolarHBondContact O-N 2.75Å; Q621-A625 WeakPolarHBondContact O-CB 3.31Å; Q621-A625 PolarHBondContact O-N 2.89Å; Q621-L654 PolarHBondContact NE2-O 3.35Å; Q621-L656 HydrophobicContact CB-CD1 3.6Å; Q621-I670 HydrophobicContact CB-CD1 3.87Å; Q621-I670 HydrophobicContact CG-CD1 4.32Å; Q621-I670 WeakPolarHBondContact O-CD1 3.41Å
622	L	89.2	Confident	89.1	Confident	24 Å²	24	66 Å²	66	13%	0.126	32%	0.32	C	S	.	.	H	α-helix	trans	-60.5	-40.5	173.6	-72.3	172.8	0	0	0	111.9	L587 V618 V619 Y626 L637 L656	L587-L622 HydrophobicContact CD1-CD1 3.98Å; L587-L622 HydrophobicContact CD2-CD1 4.27Å; L587-L622 HydrophobicContact CD2-CD2 4.16Å; V618-L622 HydrophobicContact CG1-CD1 3.88Å; V618-L622 HydrophobicContact CG1-CG 4.42Å; V618-L622 WeakPolarHBondContact O-CG 3.47Å; V618-L622 PolarHBondContact O-N 2.99Å; V619-L622 PolarHBondContact O-N 3.4Å; L622-Y626 WeakPolarHBondContact O-CB 3.4Å; L622-Y626 PolarHBondContact O-N 3.42Å; L622-L637 HydrophobicContact CD2-CD1 3.45Å; L622-L637 VanDerWaalsContact CD2-CD1 3.45Å; L622-L656 HydrophobicContact CD2-CD1 4.48Å; L622-L656 HydrophobicContact CD2-CD2 3.6Å; L622-L656 HydrophobicContact CG-CD2 4.41Å
623	A	90.1	Very high	88.6	Confident	46 Å²	46	69.7 Å²	69.7	38%	0.38	34%	0.335	S	S	.	.	H	α-helix	trans	-64.4	-48.5	175.8	0	0	0	0	0	111.7	V619 N620 Q621 A625 Y626 E627	V619-A623 WeakPolarHBondContact O-CB 3.28Å; V619-A623 PolarHBondContact O-N 3.45Å; N620-A623 PolarHBondContact O-N 3.28Å; Q621-A623 VanDerWaalsContact C-N 3.32Å; Q621-A623 PolarHBondContact O-N 2.97Å; A623-A625 PolarHBondContact O-N 3.38Å; A623-Y626 WeakPolarHBondContact O-CB 3.37Å; A623-Y626 PolarHBondContact O-N 2.86Å; A623-Y626 VanDerWaalsContact O-N 3.16Å; A623-E627 WeakPolarHBondContact O-CG 3.46Å; A623-E627 PolarHBondContact O-N 3.49Å
624	A	88.6	Confident	88.1	Confident	26 Å²	26	70.6 Å²	70.6	22%	0.215	35%	0.35	C	S	.	.	H	α-helix	trans	-62.4	-40.3	177.8	0	0	0	0	0	112.7	N620 Q621 Y626 E627 Q628 I670	N620-A624 WeakPolarHBondContact O-CB 3.42Å; N620-A624 PolarHBondContact O-N 3.12Å; Q621-A624 PolarHBondContact O-N 2.75Å; A624-Y626 VanDerWaalsContact C-N 3.32Å; A624-Y626 PolarHBondContact O-N 3.37Å; A624-E627 PolarHBondContact O-N 3.07Å; A624-Q628 WeakPolarHBondContact O-CB 3.39Å; A624-Q628 VanDerWaalsContact O-CG 3.32Å; A624-Q628 WeakPolarHBondContact O-CG 3.48Å; A624-Q628 PolarHBondContact O-N 3.06Å; A624-I670 HydrophobicContact CB-CG2 3.76Å
625	A	87.8	Confident	87.8	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-65.9	-34.4	174.8	0	0	0	0	0	112.6	Q621 A623 L630 L631 L668 I670	Q621-A625 WeakPolarHBondContact O-CB 3.31Å; Q621-A625 PolarHBondContact O-N 2.89Å; A623-A625 PolarHBondContact O-N 3.38Å; A625-L630 WeakPolarHBondContact O-CB 3.34Å; A625-L630 PolarHBondContact O-N 3.31Å; A625-L631 HydrophobicContact CB-CD1 3.95Å; A625-L631 HydrophobicContact CB-CD2 4.18Å; A625-L631 HydrophobicContact CB-CG 3.93Å; A625-L668 HydrophobicContact CB-CD1 4.15Å; A625-I670 HydrophobicContact CB-CD1 3.98Å; A625-I670 HydrophobicContact CB-CG1 4.08Å
626	Y	86.8	Confident	87.6	Confident	115 Å²	115	70.5 Å²	70.5	45%	0.451	35%	0.354	S	S	.	.	H	α-helix	trans	-69.6	-43	174.9	-171.1	-93.2	0	0	0	112	H583 L622 A623 A624 Q628 E629 L631	H583-Y626 HydrophobicContact CB-CE2 4.36Å; H583-Y626 AromaticContact CE1-CZ 3.87Å; H583-Y626 AromaticContact ND1-CD2 4Å; H583-Y626 AromaticContact ND1-CE2 3.27Å; H583-Y626 VanDerWaalsContact ND1-CE2 3.27Å; H583-Y626 WeakPolarHBondContact ND1-CE2 3.49Å; H583-Y626 AromaticContact ND1-CZ 3.39Å; H583-Y626 PolarHBondContact ND1-OH 3.03Å; L622-Y626 WeakPolarHBondContact O-CB 3.4Å; L622-Y626 PolarHBondContact O-N 3.42Å; A623-Y626 WeakPolarHBondContact O-CB 3.37Å; A623-Y626 PolarHBondContact O-N 2.86Å; A623-Y626 VanDerWaalsContact O-N 3.16Å; A624-Y626 VanDerWaalsContact C-N 3.32Å; A624-Y626 PolarHBondContact O-N 3.37Å; Y626-Q628 VanDerWaalsContact C-N 3.28Å; Y626-Q628 PolarHBondContact O-N 3.28Å; Y626-E629 PolarHBondContact O-N 3.28Å; Y626-E629 VanDerWaalsContact O-N 3.14Å; Y626-L631 HydrophobicContact CD2-CD1 4.47Å
627	E	88.3	Confident	87.6	Confident	161 Å²	161	62.1 Å²	62.1	75%	0.752	32%	0.322	S	S	*	.	H	α-helix	trans	-64.2	-31	175.6	-73.6	178.4	178.8	0	0	112.9	A623 A624 E629	A623-E627 WeakPolarHBondContact O-CG 3.46Å; A623-E627 PolarHBondContact O-N 3.49Å; A624-E627 PolarHBondContact O-N 3.07Å; E627-E629 PolarHBondContact O-N 3Å
628	Q	86.9	Confident	87.6	Confident	69 Å²	69	63.8 Å²	63.8	32%	0.322	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	9.1	175.4	-67.6	174.6	25.5	0	0	113.5	A624 Y626 L630 R671	A624-Q628 WeakPolarHBondContact O-CB 3.39Å; A624-Q628 VanDerWaalsContact O-CG 3.32Å; A624-Q628 WeakPolarHBondContact O-CG 3.48Å; A624-Q628 PolarHBondContact O-N 3.06Å; Y626-Q628 VanDerWaalsContact C-N 3.28Å; Y626-Q628 PolarHBondContact O-N 3.28Å; Q628-L630 HydrophobicContact CB-CD1 3.99Å; Q628-L630 HydrophobicContact CB-CG 3.82Å; Q628-L630 PolarHBondContact O-N 3.04Å; Q628-R671 PolarHBondContact NE2-O 3.19Å
629	E	84.8	Confident	87.6	Confident	177 Å²	177	63.8 Å²	63.8	83%	0.827	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	19.6	-177.4	-56.8	-168.7	157.4	0	0	114.7	Y626 E627 L631	Y626-E629 PolarHBondContact O-N 3.28Å; Y626-E629 VanDerWaalsContact O-N 3.14Å; E627-E629 PolarHBondContact O-N 3Å; E629-L631 PolarHBondContact O-N 2.95Å
630	L	84.1	Confident	87.5	Confident	63 Å²	63	63 Å²	63	33%	0.33	32%	0.324	S	S	.	.			trans	-75.5	-7.2	-178.4	-59.8	177.1	0	0	0	113.4	A625 Q628 P632 L668	A625-L630 WeakPolarHBondContact O-CB 3.34Å; A625-L630 PolarHBondContact O-N 3.31Å; Q628-L630 HydrophobicContact CB-CD1 3.99Å; Q628-L630 HydrophobicContact CB-CG 3.82Å; Q628-L630 PolarHBondContact O-N 3.04Å; L630-P632 WeakPolarHBondContact O-CD 3.29Å; L630-L668 HydrophobicContact CB-CD2 4.13Å
631	L	84.3	Confident	87.3	Confident	18 Å²	18	59.8 Å²	59.8	9%	0.094	31%	0.308	C	S	.	.			trans	-111.6	95.8	-173.3	-61.6	-173.9	0	0	0	111.6	I585 A625 Y626 E629 L637 V658 L668	I585-L631 HydrophobicContact CD1-CB 4.21Å; I585-L631 HydrophobicContact CD1-CD1 3.99Å; A625-L631 HydrophobicContact CB-CD1 3.95Å; A625-L631 HydrophobicContact CB-CD2 4.18Å; A625-L631 HydrophobicContact CB-CG 3.93Å; Y626-L631 HydrophobicContact CD2-CD1 4.47Å; E629-L631 PolarHBondContact O-N 2.95Å; L631-L637 HydrophobicContact CD1-CD1 4.21Å; L631-L637 HydrophobicContact CD2-CD1 3.75Å; L631-L637 HydrophobicContact CD2-CD2 3.74Å; L631-L637 HydrophobicContact CD2-CG 4.21Å; L631-V658 HydrophobicContact CD2-CG2 4.47Å; L631-L668 HydrophobicContact CD2-CD1 3.47Å; L631-L668 VanDerWaalsContact CD2-CD1 3.47Å
632	P	81.6	Confident	87	Confident	74 Å²	74	59.7 Å²	59.7	48%	0.481	31%	0.308	S	S	.	.			trans	-66.2	148.9	174	22.6	-27.2	0	0	0	111.7	L630 C635	L630-P632 WeakPolarHBondContact O-CD 3.29Å; P632-C635 HydrophobicContact CG-CB 4.05Å; P632-C635 VanDerWaalsContact O-CB 3.25Å; P632-C635 WeakPolarHBondContact O-CB 3.46Å; P632-C635 PolarHBondContact O-N 3.27Å; P632-C635 PolarHBondContact O-SG 3.36Å
633	K	81.4	Confident	85.8	Confident	191 Å²	191	63.4 Å²	63.4	83%	0.83	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	141.5	176.9	-63.2	179.9	-178.8	176.9	0	110.4	C635	K633-C635 VanDerWaalsContact C-N 3.28Å; K633-C635 PolarHBondContact O-N 3.4Å
634	G	83.8	Confident	84	Confident	43 Å²	43	65 Å²	65	44%	0.443	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	-0.2	-176.5	0	0	0	0	0	114.7	D584	D584-G634 CarbonylContact O-C 3.59Å; D584-G634 WeakPolarHBondContact O-CA 3.42Å; D584-G634 PolarHBondContact O-N 3.43Å
635	C	87.6	Confident	82.1	Confident	12 Å²	12	67 Å²	67	8%	0.081	36%	0.358	C	S	.	.			trans	-70.1	152.4	-173.3	70.6	0	0	0	0	114	T586 P632 K633 V658	T586-C635 PolarHBondContact N-O 3.4Å; P632-C635 HydrophobicContact CG-CB 4.05Å; P632-C635 VanDerWaalsContact O-CB 3.25Å; P632-C635 WeakPolarHBondContact O-CB 3.46Å; P632-C635 PolarHBondContact O-N 3.27Å; P632-C635 PolarHBondContact O-SG 3.36Å; K633-C635 VanDerWaalsContact C-N 3.28Å; K633-C635 PolarHBondContact O-N 3.4Å; C635-V658 HydrophobicContact CB-CG1 4.29Å
636	T	89.5	Confident	79.8	Confident	37 Å²	37	76.8 Å²	76.8	23%	0.227	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	122.1	166.9	-61.5	0	0	0	0	109.1	T586 Q588 V659	T586-T636 CarbonylContact O-C 3.56Å; T586-T636 WeakPolarHBondContact O-CA 3.37Å; Q588-T636 HydrophobicContact CG-CG2 4.02Å; T636-V659 HydrophobicContact CG2-CB 4.48Å; T636-V659 PolarHBondContact O-N 3.26Å
637	L	90.4	Very high	77.9	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.7	175.3	-74.5	172.8	0	0	0	110.1	I585 T586 L587 Q588 L622 L631 L656 E657 V658 L668	I585-L637 HydrophobicContact CG2-CB 4.49Å; I585-L637 HydrophobicContact CG2-CD1 3.66Å; I585-L637 HydrophobicContact CG2-CG 4.06Å; T586-L637 PolarHBondContact O-N 3.43Å; L587-L637 CarbonylContact C-O 3.1Å; L587-L637 HydrophobicContact CD2-CB 3.87Å; L587-L637 HydrophobicContact CD2-CD1 3.99Å; Q588-L637 PolarHBondContact N-O 2.99Å; L622-L637 HydrophobicContact CD2-CD1 3.45Å; L622-L637 VanDerWaalsContact CD2-CD1 3.45Å; L631-L637 HydrophobicContact CD1-CD1 4.21Å; L631-L637 HydrophobicContact CD2-CD1 3.75Å; L631-L637 HydrophobicContact CD2-CD2 3.74Å; L631-L637 HydrophobicContact CD2-CG 4.21Å; L637-L656 HydrophobicContact CD1-CD2 4.26Å; L637-L656 HydrophobicContact CD2-CD2 4.38Å; L637-E657 CarbonylContact C-O 3.59Å; L637-E657 WeakPolarHBondContact CA-O 3.37Å; L637-V658 HydrophobicContact CD2-CB 4.39Å; L637-V658 HydrophobicContact CD2-CG2 3.53Å; L637-L668 HydrophobicContact CD2-CD1 4Å
638	R	90.6	Very high	76	Confident	101 Å²	101	80.2 Å²	80.2	38%	0.381	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.3	169.5	-172.6	177.9	-176.2	176.8	-0.3	109.7	Q588 D590 E657 V659	Q588-R638 CarbonylContact O-C 3.57Å; Q588-R638 WeakPolarHBondContact O-CA 3.27Å; D590-R638 IonicContact OD1-CZ 2.8Å; D590-R638 VanDerWaalsContact OD1-CZ 3.23Å; D590-R638 IonicContact OD1-NE 3Å; D590-R638 PolarHBondContact OD1-NE 3.35Å; D590-R638 IonicContact OD1-NH2 3.48Å; D590-R638 PolarHBondContact OD1-NH2 3.19Å; D590-R638 IonicContact OD2-CZ 3.38Å; D590-R638 IonicContact OD2-NE 3.91Å; D590-R638 IonicContact OD2-NH2 3.95Å; R638-E657 HydrophobicContact CB-CB 4.36Å; R638-E657 PolarHBondContact N-O 3.06Å; R638-E657 PolarHBondContact O-N 3.14Å; R638-V659 HydrophobicContact CB-CG2 4.01Å
639	L	91.1	Very high	74	Confident	0 Å²	0	85.5 Å²	85.5	0%	0	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	122.8	168.3	-52.3	173.2	0	0	0	108.2	L572 Q588 W589 D590 V593 V618 L654 L656	L572-L639 HydrophobicContact CD2-CD1 4.36Å; Q588-L639 PolarHBondContact O-N 3.26Å; W589-L639 WeakPolarHBondContact CA-O 3.34Å; W589-L639 HydrophobicContact CB-CB 3.84Å; W589-L639 HydrophobicContact CB-CD1 4.09Å; W589-L639 HydrophobicContact CB-CG 4.29Å; D590-L639 PolarHBondContact N-O 2.99Å; V593-L639 HydrophobicContact CG1-CB 4.24Å; V593-L639 HydrophobicContact CG1-CD1 4.49Å; V593-L639 HydrophobicContact CG2-CB 3.98Å; V593-L639 WeakPolarHBondContact CG2-O 3.34Å; V618-L639 HydrophobicContact CG1-CD1 3.79Å; V618-L639 HydrophobicContact CG1-CD2 4.19Å; V618-L639 HydrophobicContact CG2-CD1 4.49Å; L639-L654 HydrophobicContact CD2-CD2 3.99Å; L639-L656 HydrophobicContact CD2-CD2 3.34Å; L639-L656 HydrophobicContact CD2-CG 3.98Å
640	S	90	Very high	72.5	Confident	11 Å²	11	79.1 Å²	79.1	8%	0.077	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	160.5	175.8	63.5	0	0	0	0	110.3	R655 E657	S640-R655 PolarHBondContact N-O 3.46Å; S640-R655 PolarHBondContact O-N 3.1Å; S640-E657 WeakPolarHBondContact CB-OE1 3.29Å; S640-E657 PolarHBondContact OG-OE1 2.92Å
641	V	87.7	Confident	71.4	Confident	29 Å²	29	83.1 Å²	83.1	18%	0.176	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.3	174.8	-179.4	0	0	0	0	109	L592 V593 L596 P652	L592-V641 HydrophobicContact CB-CB 4.15Å; L592-V641 HydrophobicContact CB-CG2 4.04Å; V593-V641 HydrophobicContact CB-CG2 4.3Å; V593-V641 HydrophobicContact CG2-CG2 3.73Å; L596-V641 HydrophobicContact CB-CG2 4.15Å; L596-V641 HydrophobicContact CD2-CG1 4.09Å; L596-V641 HydrophobicContact CD2-CG2 3.74Å; V641-P652 HydrophobicContact CG1-CB 3.93Å
642	Q	81.6	Confident	70.9	Confident	57 Å²	57	84.6 Å²	84.6	27%	0.266	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.1	169.3	-167.5	-164	7	0	0	110.1	E644 R653 R655	Q642-E644 HydrophobicContact CG-CG 4.46Å; Q642-R653 PolarHBondContact N-O 3.26Å; Q642-R653 PolarHBondContact O-N 3.48Å; Q642-R655 HydrophobicContact CB-CG 4.25Å; Q642-R655 VanDerWaalsContact CD-CZ 3.49Å; Q642-R655 VanDerWaalsContact CD-NH2 3.25Å
643	S	64	Low	70.9	Confident	101 Å²	101	88.4 Å²	88.4	71%	0.706	46%	0.458	S	S	*	.			trans	-85.4	108.6	157	-58.1	0	0	0	0	108.2
644	E	54	Low	71	Confident	81 Å²	81	80 Å²	80	38%	0.379	42%	0.421	S	S	.	.			trans	-69.7	131.8	165.7	-72.7	175.2	167.9	0	0	108.2	Q642 R653	Q642-E644 HydrophobicContact CG-CG 4.46Å; E644-R653 IonicContact OE1-NH1 2.58Å; E644-R653 IonicContact OE2-NH1 3.64Å
645	G	47.8	Very low	71	Confident	68 Å²	68	82.5 Å²	82.5	70%	0.701	42%	0.418	S	S	*	.	S	Bend	trans	-77.9	149.2	-167.8	0	0	0	0	0	114.5	E647	G645-E647 PolarHBondContact O-N 2.82Å
646	Q	40	Very low	70.9	Confident	205 Å²	205	82.2 Å²	82.2	96%	0.958	42%	0.415	S	S	*	.	S	Bend	trans	72.2	7.9	159.3	-62.8	-171.5	-27.1	0	0	120
647	E	46	Very low	70.7	Confident	157 Å²	157	81.8 Å²	81.8	73%	0.734	41%	0.411	S	S	*	.			trans	-111.6	116.9	160.5	-69.8	-171.1	177.7	0	0	110.7	G645 H649 S650	G645-E647 PolarHBondContact O-N 2.82Å; E647-H649 PolarHBondContact O-N 2.73Å; E647-S650 PolarHBondContact O-N 2.91Å; E647-S650 VanDerWaalsContact O-N 3.07Å
648	E	48	Very low	70.4	Confident	190 Å²	190	82.8 Å²	82.8	89%	0.888	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	1.2	-173.8	-63.8	-173.3	142.4	0	0	114.9
649	H	46.4	Very low	70	Confident	181 Å²	181	79.8 Å²	79.8	84%	0.838	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.2	8.8	179.3	-64.1	-23.6	0	0	0	114	E647 M651	E647-H649 PolarHBondContact O-N 2.73Å; H649-M651 PolarHBondContact O-N 2.94Å
650	S	53.3	Low	69	Low	43 Å²	43	81.2 Å²	81.2	30%	0.301	43%	0.425	S	S	.	.			trans	-69.5	115.8	174.4	-174.1	0	0	0	0	111.2	E647 P652	E647-S650 PolarHBondContact O-N 2.91Å; E647-S650 VanDerWaalsContact O-N 3.07Å; S650-P652 WeakPolarHBondContact O-CD 3.34Å
651	M	61	Low	67.7	Low	146 Å²	146	90.4 Å²	90.4	72%	0.719	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-69.3	118.8	176.3	-81.8	-86.4	177.5	0	0	110.2	H649 R653	H649-M651 PolarHBondContact O-N 2.94Å; M651-R653 PolarHBondContact O-N 3.28Å
652	P	73.9	Confident	66.3	Low	50 Å²	50	96.1 Å²	96.1	33%	0.325	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-55.3	129.2	-178.6	16.2	-29.1	0	0	0	112.2	L596 R617 V641 S650	L596-P652 HydrophobicContact CD1-CB 3.91Å; L596-P652 HydrophobicContact CD1-CG 3.6Å; R617-P652 PolarHBondContact NH1-O 2.66Å; V641-P652 HydrophobicContact CG1-CB 3.93Å; S650-P652 WeakPolarHBondContact O-CD 3.34Å
653	R	80.1	Confident	65.4	Low	154 Å²	154	98.4 Å²	98.4	58%	0.581	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	138.9	-174.7	-72.5	180	172.9	159.2	-3.4	110.9	Q642 E644 M651	Q642-R653 PolarHBondContact N-O 3.26Å; Q642-R653 PolarHBondContact O-N 3.48Å; E644-R653 IonicContact OE1-NH1 2.58Å; E644-R653 IonicContact OE2-NH1 3.64Å; M651-R653 PolarHBondContact O-N 3.28Å
654	L	84.4	Confident	65.5	Low	13 Å²	13	96.4 Å²	96.4	7%	0.068	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	130.6	173.4	-167.1	147.1	0	0	0	109.3	V593 L596 V618 Q621 L639 L656	V593-L654 HydrophobicContact CG1-CD1 3.88Å; L596-L654 HydrophobicContact CD2-CB 4.22Å; V618-L654 HydrophobicContact CG2-CD1 3.77Å; Q621-L654 PolarHBondContact NE2-O 3.35Å; L639-L654 HydrophobicContact CD2-CD2 3.99Å; L654-L656 HydrophobicContact CD2-CG 4.5Å
655	R	84.2	Confident	66.3	Low	97 Å²	97	95.6 Å²	95.6	37%	0.366	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	147.9	175.1	-74.9	-172.3	171.7	-145.4	-9.2	110.6	S640 Q642	S640-R655 PolarHBondContact N-O 3.46Å; S640-R655 PolarHBondContact O-N 3.1Å; Q642-R655 HydrophobicContact CB-CG 4.25Å; Q642-R655 VanDerWaalsContact CD-CZ 3.49Å; Q642-R655 VanDerWaalsContact CD-NH2 3.25Å
656	L	84.4	Confident	67.7	Low	5 Å²	5	101.3 Å²	101.3	3%	0.026	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.3	173.4	-83	151.7	0	0	0	108.9	Q621 L622 L637 L639 L654 L668 I670	Q621-L656 HydrophobicContact CB-CD1 3.6Å; L622-L656 HydrophobicContact CD2-CD1 4.48Å; L622-L656 HydrophobicContact CD2-CD2 3.6Å; L622-L656 HydrophobicContact CG-CD2 4.41Å; L637-L656 HydrophobicContact CD1-CD2 4.26Å; L637-L656 HydrophobicContact CD2-CD2 4.38Å; L639-L656 HydrophobicContact CD2-CD2 3.34Å; L639-L656 HydrophobicContact CD2-CG 3.98Å; L654-L656 HydrophobicContact CD2-CG 4.5Å; L656-L668 HydrophobicContact CB-CB 4.2Å; L656-L668 HydrophobicContact CB-CD1 4.09Å; L656-L668 HydrophobicContact CB-CG 4.38Å; L656-L668 PolarHBondContact O-N 3.39Å; L656-I670 HydrophobicContact CD1-CD1 3.64Å
657	E	85.6	Confident	69.5	Low	29 Å²	29	94.7 Å²	94.7	14%	0.136	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.4	178.6	-72.9	176.4	-129	0	0	110	L637 R638 S640 S665 R666 T667	L637-E657 CarbonylContact C-O 3.59Å; L637-E657 WeakPolarHBondContact CA-O 3.37Å; R638-E657 HydrophobicContact CB-CB 4.36Å; R638-E657 PolarHBondContact N-O 3.06Å; R638-E657 PolarHBondContact O-N 3.14Å; S640-E657 WeakPolarHBondContact CB-OE1 3.29Å; S640-E657 PolarHBondContact OG-OE1 2.92Å; E657-S665 VanDerWaalsContact OE2-CB 3.27Å; E657-S665 WeakPolarHBondContact OE2-CB 3.34Å; E657-S665 PolarHBondContact OE2-OG 3.45Å; E657-R666 CarbonylContact C-O 3.55Å; E657-R666 WeakPolarHBondContact CA-O 3.49Å; E657-T667 HydrophobicContact CG-CG2 3.74Å
658	V	83.8	Confident	70.9	Confident	20 Å²	20	88.5 Å²	88.5	12%	0.121	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	121	168.6	177.3	0	0	0	0	108.1	L631 C635 L637 S665 R666 L668	L631-V658 HydrophobicContact CD2-CG2 4.47Å; C635-V658 HydrophobicContact CB-CG1 4.29Å; L637-V658 HydrophobicContact CD2-CB 4.39Å; L637-V658 HydrophobicContact CD2-CG2 3.53Å; V658-S665 CarbonylContact O-C 3Å; V658-S665 WeakPolarHBondContact O-CA 3.33Å; V658-R666 PolarHBondContact N-O 2.95Å; V658-R666 PolarHBondContact O-N 3.27Å; V658-L668 HydrophobicContact CG2-CD1 4Å; V658-L668 HydrophobicContact CG2-CD2 3.71Å; V658-L668 HydrophobicContact CG2-CG 4Å
659	V	82.4	Confident	72.1	Confident	38 Å²	38	85.9 Å²	85.9	23%	0.23	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	116.1	173.4	-174.6	0	0	0	0	108.3	T636 R638	T636-V659 HydrophobicContact CG2-CB 4.48Å; T636-V659 PolarHBondContact O-N 3.26Å; R638-V659 HydrophobicContact CB-CG2 4.01Å
660	G	70.9	Confident	73.4	Confident	31 Å²	31	79.6 Å²	79.6	32%	0.32	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-77.9	167.1	173.1	0	0	0	0	0	112.7	D662 S663 S664	G660-D662 PolarHBondContact O-N 3.49Å; G660-S663 PolarHBondContact O-N 3.39Å; G660-S664 PolarHBondContact N-O 3.2Å
661	E	63	Low	74	Confident	203 Å²	203	86.4 Å²	86.4	95%	0.949	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-33.1	179.2	-61.9	-175	157.5	0	0	112.3	S663	E661-S663 PolarHBondContact O-N 3.03Å; E661-S663 VanDerWaalsContact O-N 3.11Å
662	D	57	Low	74.1	Confident	149 Å²	149	84.7 Å²	84.7	80%	0.797	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	13.5	175.8	-56.1	-44	0	0	0	114.3	G660 S664	G660-D662 PolarHBondContact O-N 3.49Å; D662-S664 PolarHBondContact O-N 2.91Å
663	S	63.1	Low	73.4	Confident	106 Å²	106	88 Å²	88	74%	0.741	46%	0.458	S	S	*	.	S	Bend	trans	60.1	4.6	-173	-53.8	0	0	0	0	116	G660 E661 S665	G660-S663 PolarHBondContact O-N 3.39Å; E661-S663 PolarHBondContact O-N 3.03Å; E661-S663 VanDerWaalsContact O-N 3.11Å; S663-S665 PolarHBondContact O-N 2.87Å
664	S	65.4	Low	72.3	Confident	58 Å²	58	88.1 Å²	88.1	41%	0.406	47%	0.469	S	S	.	.			trans	-70.7	125.5	171.5	61.7	0	0	0	0	110.4	G660 D662	G660-S664 PolarHBondContact N-O 3.2Å; D662-S664 PolarHBondContact O-N 2.91Å
665	S	72.2	Confident	70.8	Confident	64 Å²	64	92.8 Å²	92.8	45%	0.448	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	139.8	173.2	75.2	0	0	0	0	111.4	E657 V658 S663	E657-S665 VanDerWaalsContact OE2-CB 3.27Å; E657-S665 WeakPolarHBondContact OE2-CB 3.34Å; E657-S665 PolarHBondContact OE2-OG 3.45Å; V658-S665 CarbonylContact O-C 3Å; V658-S665 WeakPolarHBondContact O-CA 3.33Å; S663-S665 PolarHBondContact O-N 2.87Å
666	R	75.7	Confident	69.5	Low	188 Å²	188	94.2 Å²	94.2	71%	0.709	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	115.2	172.6	-64.8	-175.8	-177.2	179.3	2	108.7	E657 V658	E657-R666 CarbonylContact C-O 3.55Å; E657-R666 WeakPolarHBondContact CA-O 3.49Å; V658-R666 PolarHBondContact N-O 2.95Å; V658-R666 PolarHBondContact O-N 3.27Å
667	T	78.6	Confident	67.9	Low	67 Å²	67	102 Å²	102	41%	0.411	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-64.1	134.4	172.9	41.8	0	0	0	0	110.7	E657	E657-T667 HydrophobicContact CG-CG2 3.74Å
668	L	76.3	Confident	65.7	Low	27 Å²	27	111.7 Å²	111.7	14%	0.141	60%	0.597	C	S	.	*			trans	-88.4	108.9	176.1	-63.9	-174	0	0	0	110.9	A625 L630 L631 L637 L656 V658 I670	A625-L668 HydrophobicContact CB-CD1 4.15Å; L630-L668 HydrophobicContact CB-CD2 4.13Å; L631-L668 HydrophobicContact CD2-CD1 3.47Å; L631-L668 VanDerWaalsContact CD2-CD1 3.47Å; L637-L668 HydrophobicContact CD2-CD1 4Å; L656-L668 HydrophobicContact CB-CB 4.2Å; L656-L668 HydrophobicContact CB-CD1 4.09Å; L656-L668 HydrophobicContact CB-CG 4.38Å; L656-L668 PolarHBondContact O-N 3.39Å; V658-L668 HydrophobicContact CG2-CD1 4Å; V658-L668 HydrophobicContact CG2-CD2 3.71Å; V658-L668 HydrophobicContact CG2-CG 4Å; L668-I670 VanDerWaalsContact C-N 3.29Å; L668-I670 HydrophobicContact CB-CG1 4.36Å; L668-I670 PolarHBondContact O-N 3.12Å
669	D	72.5	Confident	64.8	Low	134 Å²	134	116.3 Å²	116.3	72%	0.717	62%	0.621	S	S	*	*			trans	-79.7	77	171.6	-68.7	-25.6	0	0	0	110.3	R671	D669-R671 PolarHBondContact O-N 2.92Å; D669-R671 VanDerWaalsContact O-N 3.12Å
670	I	72.8	Confident	63.9	Low	49 Å²	49	120.4 Å²	120.4	25%	0.251	64%	0.642	S	S	.	*			trans	-65.5	111.5	176	-57.6	169.9	0	0	0	108.6	Q621 A624 A625 L656 L668	Q621-I670 HydrophobicContact CB-CD1 3.87Å; Q621-I670 HydrophobicContact CG-CD1 4.32Å; Q621-I670 WeakPolarHBondContact O-CD1 3.41Å; A624-I670 HydrophobicContact CB-CG2 3.76Å; A625-I670 HydrophobicContact CB-CD1 3.98Å; A625-I670 HydrophobicContact CB-CG1 4.08Å; L656-I670 HydrophobicContact CD1-CD1 3.64Å; L668-I670 VanDerWaalsContact C-N 3.29Å; L668-I670 HydrophobicContact CB-CG1 4.36Å; L668-I670 PolarHBondContact O-N 3.12Å
671	R	66.9	Low	63.5	Low	186 Å²	186	125.4 Å²	125.4	70%	0.702	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-76.1	146.8	176.5	-64.1	-177.5	-178.1	179.5	0.8	109.8	Q628 D669	Q628-R671 PolarHBondContact NE2-O 3.19Å; D669-R671 PolarHBondContact O-N 2.92Å; D669-R671 VanDerWaalsContact O-N 3.12Å
672	P	63.5	Low	63.5	Low	110 Å²	110	120.8 Å²	120.8	71%	0.714	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-58.4	153.4	165.6	27.6	-34.2	0	0	0	109.8	L674	P672-L674 PolarHBondContact O-N 2.85Å
673	P	59.5	Low	63.9	Low	121 Å²	121	119.1 Å²	119.1	79%	0.786	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-55.5	137.1	179.9	23.5	-33.9	0	0	0	110.7	N675	P673-N675 PolarHBondContact O-N 3.11Å
674	L	56.3	Low	63.9	Low	156 Å²	156	119.9 Å²	119.9	82%	0.817	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-60.3	127	177.4	-69.4	168.1	0	0	0	109.2	P672	P672-L674 PolarHBondContact O-N 2.85Å
675	N	52.3	Low	63.8	Low	110 Å²	110	124.4 Å²	124.4	59%	0.588	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-68.5	134.3	174	-135.8	15.2	0	0	0	107.7	P673 E677 H678	P673-N675 PolarHBondContact O-N 3.11Å; N675-E677 PolarHBondContact O-N 3.32Å; N675-H678 PolarHBondContact O-N 2.67Å
676	P	57.6	Low	63.2	Low	127 Å²	127	129 Å²	129	83%	0.825	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	7.5	-172.4	28.6	-36.5	0	0	0	115.2
677	E	49.6	Very low	62.2	Low	169 Å²	169	124.1 Å²	124.1	79%	0.79	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	11	176.5	-59.7	-168.5	152.4	0	0	113.2	N675	N675-E677 PolarHBondContact O-N 3.32Å
678	H	40.1	Very low	60.7	Low	233 Å²	233	129.3 Å²	129.3	100%	1.079	67%	0.674	S	S	*	*			trans	-130	0	177.5	-75.3	-18.8	0	0	0	112.8	N675	N675-H678 PolarHBondContact O-N 2.67Å

Retrieved 678 of 678 residues in 131.1 ms (Link to these results)

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