A0A3Q0KCW9_SCHMA Loading...

Paraplegin (M41 family)

AlphaFold DB , UniProt , Accession A0A3Q0KCW9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 745 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	32.6	Very low	253 Å²	253	162.4 Å²	162.4	100%	1.246	83%	0.827	S	S	*	*				0	2.1	0	-145.2	169	161	0	0	114.6
2	S	29.1	Very low	32.4	Very low	115 Å²	115	161.3 Å²	161.3	80%	0.804	82%	0.816	S	S	*	*			trans	-132	36.5	-163.2	-174.7	0	0	0	0	117.7
3	Q	34.5	Very low	32.1	Very low	187 Å²	187	158.8 Å²	158.8	87%	0.874	81%	0.805	S	S	*	*	S	Bend	trans	-140.8	-29	161.6	-85.9	-155	-15.5	0	0	120.7
4	L	38.6	Very low	32.2	Very low	152 Å²	152	156.9 Å²	156.9	80%	0.796	81%	0.806	S	S	*	*			trans	-145.6	63.5	-177.6	-75.7	172.7	0	0	0	116.2	R6	L4-R6 PolarHBondContact O-N 3.32Å
5	L	40	Very low	31.9	Very low	170 Å²	170	151 Å²	151	89%	0.89	80%	0.799	S	S	*	*				-49.3	108.5	126.4	-99	145.6	0	0	0	107.4
6	R	27.5	Very low	31.9	Very low	215 Å²	215	147.3 Å²	147.3	81%	0.811	80%	0.797	S	S	*	*			trans	163.7	128	151.6	-92.7	156.5	-167.3	-156.1	4.1	110.5	L4	L4-R6 PolarHBondContact O-N 3.32Å
7	L	33.4	Very low	31.7	Very low	170 Å²	170	145.5 Å²	145.5	89%	0.89	80%	0.798	S	S	*	*			trans	79.1	88.1	164.5	-50.4	157.7	0	0	0	112.6
8	G	29.6	Very low	31.3	Very low	66 Å²	66	142.6 Å²	142.6	68%	0.68	79%	0.789	S	S	*	*				79.2	120.6	68.3	0	0	0	0	0	107.6
9	I	33.1	Very low	31	Very low	146 Å²	146	146.7 Å²	146.7	75%	0.749	79%	0.792	S	S	*	*				167	131.9	65.9	-99.4	157.3	0	0	0	105.2
10	L	28.6	Very low	30.7	Very low	126 Å²	126	151.2 Å²	151.2	66%	0.66	80%	0.797	S	S	*	*			trans	59.9	144.4	145.9	-86.2	80.2	0	0	0	119.3
11	R	27.9	Very low	30.5	Very low	186 Å²	186	150.7 Å²	150.7	70%	0.702	79%	0.793	S	S	*	*			cis	176.6	159.2	-5	-130.3	176.8	-163.1	168.9	-5.8	104.1
12	H	30.3	Very low	30	Very low	149 Å²	149	144.2 Å²	144.2	69%	0.69	77%	0.772	S	S	*	*			trans	75.3	131.8	150.4	-78.3	-45.9	0	0	0	115.7
13	L	29.1	Very low	29.8	Very low	129 Å²	129	146 Å²	146	68%	0.675	77%	0.767	S	S	*	*			cis	-161.2	145.1	18.2	-97.5	139.2	0	0	0	106.8
14	T	32.3	Very low	29.5	Very low	132 Å²	132	143.2 Å²	143.2	81%	0.81	77%	0.767	S	S	*	*			trans	59	122.8	141.2	62	0	0	0	0	117.9
15	G	28.7	Very low	28.8	Very low	69 Å²	69	140.1 Å²	140.1	71%	0.711	75%	0.754	S	S	*	*			cis	166.5	163.3	12.8	0	0	0	0	0	109.7
16	A	32.1	Very low	28.2	Very low	92 Å²	92	140 Å²	140	76%	0.76	75%	0.747	S	S	*	*			trans	70.1	97.1	170.5	0	0	0	0	0	114.9
17	S	27.1	Very low	28.2	Very low	116 Å²	116	135.2 Å²	135.2	81%	0.811	74%	0.744	S	S	*	*				69.2	134.5	83.3	80.2	0	0	0	0	111.6
18	S	26.2	Very low	27.8	Very low	93 Å²	93	132.2 Å²	132.2	65%	0.65	73%	0.727	S	S	*	*			cis	176.4	135.2	4.7	149.2	0	0	0	0	102.7
19	R	24.8	Very low	27.7	Very low	221 Å²	221	136.4 Å²	136.4	83%	0.834	73%	0.732	S	S	*	*			trans	30	116	141.9	-58.8	174.8	175.2	-178.3	-2.4	117.6
20	R	25.5	Very low	27.3	Very low	236 Å²	236	135.6 Å²	135.6	89%	0.891	73%	0.73	S	S	*	*			trans	-179.7	111.8	130.6	-101.8	177.2	-101.1	-166.3	-3.8	106.4
21	I	26.2	Very low	27.2	Very low	142 Å²	142	137.5 Å²	137.5	73%	0.728	74%	0.735	S	S	*	*				41.7	95.7	75.3	-52.2	176	0	0	0	111.1
22	C	25.4	Very low	27.1	Very low	117 Å²	117	137.3 Å²	137.3	79%	0.791	74%	0.739	S	S	*	*			trans	-155.6	107	145.8	-83.2	0	0	0	0	103.2
23	H	24.2	Very low	26.8	Very low	152 Å²	152	133.2 Å²	133.2	70%	0.704	74%	0.738	S	S	*	*			cis	46.6	77.9	50	-98.1	-64.1	0	0	0	112.5	T25	H23-T25 PolarHBondContact ND1-OG1 3.36Å; H23-T25 PolarHBondContact O-OG1 3.1Å
24	C	28.8	Very low	26.6	Very low	128 Å²	128	135.3 Å²	135.3	87%	0.865	74%	0.743	S	S	*	*			trans	-127.1	86.3	140.6	-69.7	0	0	0	0	104.4
25	T	24	Very low	26.3	Very low	87 Å²	87	140.6 Å²	140.6	53%	0.534	75%	0.75	S	S	.	*				53.3	95.8	57.8	-13.9	0	0	0	0	111	H23	H23-T25 PolarHBondContact ND1-OG1 3.36Å; H23-T25 PolarHBondContact O-OG1 3.1Å
26	F	28.4	Very low	26.1	Very low	168 Å²	168	140.6 Å²	140.6	74%	0.737	74%	0.74	S	S	*	*				45.6	142.8	129.4	-80.9	-69.3	0	0	0	120	I28	F26-I28 HydrophobicContact CB-CD1 4.29Å; F26-I28 HydrophobicContact CD1-CB 4.44Å; F26-I28 HydrophobicContact CD1-CD1 3.69Å; F26-I28 HydrophobicContact CD1-CG1 3.45Å; F26-I28 VanDerWaalsContact CD1-CG1 3.45Å; F26-I28 HydrophobicContact CE1-CD1 4.14Å; F26-I28 HydrophobicContact CE1-CG1 3.71Å; F26-I28 HydrophobicContact CG-CD1 4.09Å; F26-I28 HydrophobicContact CG-CG1 4.33Å
27	P	26	Very low	25.8	Very low	115 Å²	115	141 Å²	141	75%	0.747	74%	0.737	S	S	*	*				-132	140.5	57	26.7	-5.4	0	0	0	113.8
28	I	24.7	Very low	25.7	Very low	107 Å²	107	146.3 Å²	146.3	55%	0.549	74%	0.739	S	S	.	*				50.2	92.2	82.9	-62.3	148.6	0	0	0	111.5	F26 N30	F26-I28 HydrophobicContact CB-CD1 4.29Å; F26-I28 HydrophobicContact CD1-CB 4.44Å; F26-I28 HydrophobicContact CD1-CD1 3.69Å; F26-I28 HydrophobicContact CD1-CG1 3.45Å; F26-I28 VanDerWaalsContact CD1-CG1 3.45Å; F26-I28 HydrophobicContact CE1-CD1 4.14Å; F26-I28 HydrophobicContact CE1-CG1 3.71Å; F26-I28 HydrophobicContact CG-CD1 4.09Å; F26-I28 HydrophobicContact CG-CG1 4.33Å; I28-N30 HydrophobicContact CG2-CB 4.17Å
29	I	27.9	Very low	25.6	Very low	153 Å²	153	148.9 Å²	148.9	79%	0.785	75%	0.745	S	S	*	*			trans	-147.9	93.8	135.5	-53.7	-177.9	0	0	0	102.9
30	N	24.8	Very low	25.7	Very low	130 Å²	130	148.7 Å²	148.7	70%	0.695	75%	0.75	S	S	*	*				37.6	79.5	57.5	-118.9	4	0	0	0	113.2	I28	I28-N30 HydrophobicContact CG2-CB 4.17Å
31	H	27.2	Very low	25.7	Very low	166 Å²	166	146.1 Å²	146.1	77%	0.769	75%	0.746	S	S	*	*			trans	-157.1	100	140.4	-109.6	-79.2	0	0	0	107.2
32	K	25	Very low	25.7	Very low	181 Å²	181	144.6 Å²	144.6	79%	0.787	75%	0.748	S	S	*	*				44.2	113	87.8	-77.7	-171.4	176.4	179.2	0	112.7
33	G	24.6	Very low	26	Very low	64 Å²	64	144.9 Å²	144.9	66%	0.66	75%	0.746	S	S	*	*			trans	84.5	99.9	142.5	0	0	0	0	0	115.2
34	H	25.7	Very low	26.1	Very low	172 Å²	172	142.4 Å²	142.4	80%	0.796	75%	0.745	S	S	*	*				175.8	102.1	92.4	-97.6	-72	0	0	0	109	S36	H34-S36 VanDerWaalsContact C-N 3.31Å; H34-S36 PolarHBondContact O-N 3.35Å; H34-S36 VanDerWaalsContact O-N 3.11Å
35	Y	24.9	Very low	26.1	Very low	244 Å²	244	146 Å²	146	96%	0.957	75%	0.746	S	S	*	*			trans	-55	107.4	135.2	-88.4	-95.2	0	0	0	106.3
36	S	24.6	Very low	26.2	Very low	69 Å²	69	152.4 Å²	152.4	48%	0.483	76%	0.761	S	S	.	*			trans	-147	90.8	166.4	180	0	0	0	0	105.4	H34 R38	H34-S36 VanDerWaalsContact C-N 3.31Å; H34-S36 PolarHBondContact O-N 3.35Å; H34-S36 VanDerWaalsContact O-N 3.11Å; S36-R38 PolarHBondContact O-N 2.99Å
37	S	25.5	Very low	26.1	Very low	101 Å²	101	152.3 Å²	152.3	71%	0.706	77%	0.768	S	S	*	*				39.1	62.9	85.7	78.6	0	0	0	0	113.1
38	R	24.4	Very low	26	Very low	227 Å²	227	158.2 Å²	158.2	86%	0.857	78%	0.776	S	S	*	*			trans	-120.9	86.4	145.4	-74.6	-174.6	-173.1	179.9	3.5	106.1	S36	S36-R38 PolarHBondContact O-N 2.99Å
39	L	25.7	Very low	26.3	Very low	146 Å²	146	156.7 Å²	156.7	76%	0.764	79%	0.787	S	S	*	*				33.5	83.2	81.5	-81.6	164.7	0	0	0	110	K41	L39-K41 PolarHBondContact O-N 3.18Å
40	F	25.3	Very low	26.3	Very low	217 Å²	217	155 Å²	155	95%	0.952	79%	0.788	S	S	*	*			trans	-56.6	92.7	154.4	-124.1	-91.3	0	0	0	106.5	S42	F40-S42 PolarHBondContact O-N 3.29Å
41	K	27.3	Very low	26.5	Very low	183 Å²	183	154.5 Å²	154.5	80%	0.796	80%	0.795	S	S	*	*			trans	-67.9	116.6	167	-90.8	-179.7	171.9	179.9	0	107.4	L39 T43	L39-K41 PolarHBondContact O-N 3.18Å; K41-T43 PolarHBondContact O-N 3.45Å
42	S	25.6	Very low	26.6	Very low	110 Å²	110	153.5 Å²	153.5	77%	0.769	80%	0.801	S	S	*	*			trans	-32	122.8	143.7	167.4	0	0	0	0	111.4	F40	F40-S42 PolarHBondContact O-N 3.29Å
43	T	31.2	Very low	26.9	Very low	122 Å²	122	154.5 Å²	154.5	75%	0.748	81%	0.805	S	S	*	*			trans	-167.2	114.3	135.8	40.5	0	0	0	0	110.2	K41	K41-T43 PolarHBondContact O-N 3.45Å
44	S	27.1	Very low	27	Very low	100 Å²	100	155.7 Å²	155.7	70%	0.699	81%	0.809	S	S	*	*			trans	54.7	107.2	140.1	67.1	0	0	0	0	120.1
45	K	29.2	Very low	27.4	Very low	203 Å²	203	154.5 Å²	154.5	88%	0.883	81%	0.808	S	S	*	*				-172.5	121.9	95.8	-104	176.2	177.8	176.9	0	110.1
46	W	24.6	Very low	27.6	Very low	223 Å²	223	153.3 Å²	153.3	85%	0.845	80%	0.804	S	S	*	*			trans	-64.7	138.8	172.5	-75	48.2	0	0	0	110.4	W48	W46-W48 HydrophobicContact CE3-CB 4.42Å
47	N	27.5	Very low	28	Very low	165 Å²	165	155.7 Å²	155.7	88%	0.882	82%	0.82	S	S	*	*			trans	-135.5	77.1	150.1	-116.6	0	0	0	0	107.9
48	W	24.1	Very low	28.3	Very low	239 Å²	239	155.6 Å²	155.6	91%	0.905	82%	0.819	S	S	*	*			trans	-91.9	97	155.3	-103.1	46.3	0	0	0	106.4	W46	W46-W48 HydrophobicContact CE3-CB 4.42Å
49	G	29.9	Very low	28.7	Very low	76 Å²	76	151.5 Å²	151.5	78%	0.784	82%	0.815	S	S	*	*			trans	-90.5	98.6	173.5	0	0	0	0	0	109.8
50	S	28.5	Very low	28.9	Very low	116 Å²	116	154.7 Å²	154.7	81%	0.811	82%	0.816	S	S	*	*			trans	-55.2	135.6	168.3	51.2	0	0	0	0	113.4
51	S	28.7	Very low	29	Very low	121 Å²	121	155 Å²	155	85%	0.846	81%	0.811	S	S	*	*			trans	-145.6	84.2	150.4	-166	0	0	0	0	111
52	T	28.8	Very low	29.1	Very low	144 Å²	144	151.3 Å²	151.3	88%	0.883	81%	0.809	S	S	*	*			trans	-142.5	98.2	143.4	42.9	0	0	0	0	106.8
53	K	31.2	Very low	29.2	Very low	203 Å²	203	149.7 Å²	149.7	88%	0.883	81%	0.809	S	S	*	*			trans	-83.1	121.8	160	-90.8	-177.2	175.4	177.6	0	107.7
54	A	26.6	Very low	29.1	Very low	89 Å²	89	149.8 Å²	149.8	74%	0.736	81%	0.805	S	S	*	*			trans	-68.7	141.4	159.6	0	0	0	0	0	109.7
55	N	34.2	Very low	29.2	Very low	147 Å²	147	155.2 Å²	155.2	79%	0.786	81%	0.81	S	S	*	*			trans	-155.9	111.7	154	-100.4	-15.2	0	0	0	110.5
56	Y	29.8	Very low	29.2	Very low	219 Å²	219	150.1 Å²	150.1	86%	0.859	80%	0.801	S	S	*	*			trans	25.2	118	140.4	-77.4	-94.2	0	0	0	119.8
57	S	33.6	Very low	29.6	Very low	118 Å²	118	148 Å²	148	83%	0.825	80%	0.8	S	S	*	*				-156.3	123.6	115.4	67.7	0	0	0	0	110.6
58	S	30.7	Very low	29.9	Very low	99 Å²	99	147.8 Å²	147.8	69%	0.692	80%	0.799	S	S	*	*			trans	-58.6	136.7	167.2	47.6	0	0	0	0	112.1
59	D	33.6	Very low	30.4	Very low	142 Å²	142	143.5 Å²	143.5	76%	0.759	79%	0.794	S	S	*	*				-168.5	121.8	122	-93	-26.4	0	0	0	111.9
60	R	28.8	Very low	31	Very low	212 Å²	212	145 Å²	145	80%	0.8	79%	0.79	S	S	*	*			trans	15.8	129.5	134.5	-73.4	-178.9	-159.9	174.8	9.5	115.9
61	W	28.7	Very low	32	Very low	223 Å²	223	146 Å²	146	85%	0.845	79%	0.786	S	S	*	*			cis	-171.9	142.5	44.3	-113.1	16.9	0	0	0	110.1
62	S	28.3	Very low	32.6	Very low	107 Å²	107	148 Å²	148	75%	0.748	79%	0.787	S	S	*	*			trans	30.5	129.7	145.1	61.9	0	0	0	0	121.4
63	G	28.6	Very low	33.8	Very low	75 Å²	75	147.9 Å²	147.9	77%	0.773	78%	0.78	S	S	*	*			trans	147.6	75.4	141.1	0	0	0	0	0	117.6
64	D	28.6	Very low	35	Very low	125 Å²	125	141 Å²	141	67%	0.668	75%	0.752	S	S	*	*			trans	58.5	118.9	136.3	-124.3	-8.1	0	0	0	122.2
65	R	28.6	Very low	37	Very low	213 Å²	213	143.4 Å²	143.4	80%	0.804	75%	0.752	S	S	*	*			trans	79.9	129.1	130.6	-106.1	179.4	-89.8	-170.9	0.6	123.2
66	S	30.2	Very low	38.5	Very low	97 Å²	97	143.8 Å²	143.8	68%	0.678	75%	0.747	S	S	*	*			trans	80.9	137.3	155.2	121.6	0	0	0	0	115
67	Q	32.6	Very low	40.4	Very low	178 Å²	178	134.2 Å²	134.2	83%	0.832	71%	0.713	S	S	*	*			cis	-168.7	167.5	37.6	-123.5	161.4	11.3	0	0	110.7
68	N	34	Very low	42.1	Very low	160 Å²	160	135.2 Å²	135.2	86%	0.856	71%	0.708	S	S	*	*			trans	-57.1	145.2	179.8	-62.5	-45.9	0	0	0	115.4
69	D	35.1	Very low	44.2	Very low	149 Å²	149	133.7 Å²	133.7	80%	0.797	70%	0.701	S	S	*	*			trans	-127	129	164.5	-123.7	-10.6	0	0	0	110.9
70	P	42.7	Very low	46.1	Very low	108 Å²	108	127.7 Å²	127.7	70%	0.701	67%	0.671	S	S	*	*			trans	-92.7	10.6	-168.6	35.8	-34.2	0	0	0	116.4
71	D	48.9	Very low	48.3	Very low	138 Å²	138	119 Å²	119	74%	0.738	65%	0.647	S	S	*	*			trans	-100.6	13.9	-164.1	-77.2	-10.8	0	0	0	117.4	I73	D71-I73 PolarHBondContact O-N 2.89Å
72	N	41.4	Very low	50.8	Low	163 Å²	163	110.6 Å²	110.6	87%	0.872	63%	0.631	S	S	*	*			trans	-90.6	90.5	176.4	-104.7	-20.4	0	0	0	112.5
73	I	53.3	Low	53.2	Low	141 Å²	141	107.8 Å²	107.8	72%	0.723	61%	0.614	S	S	*	*			trans	-70.5	129.1	171.9	-61.6	169.4	0	0	0	110.4	D71 I75	D71-I73 PolarHBondContact O-N 2.89Å; I73-I75 PolarHBondContact O-N 3.29Å
74	D	57.5	Low	55.6	Low	57 Å²	57	104.7 Å²	104.7	31%	0.305	58%	0.58	S	S	.	*			trans	-67.9	95	-178.8	-96.6	-32.1	0	0	0	112.9	F76 A77 Q213	D74-F76 PolarHBondContact O-N 2.98Å; D74-A77 PolarHBondContact O-N 3.46Å; D74-A77 VanDerWaalsContact O-N 3.07Å; D74-Q213 PolarHBondContact OD2-NE2 2.91Å
75	I	67.9	Low	58	Low	141 Å²	141	105.5 Å²	105.5	72%	0.723	58%	0.578	S	S	*	*	H	α-helix	trans	-47.6	-31.3	174.9	-65.3	168.3	0	0	0	112.9	I73 A77 A79	I73-I75 PolarHBondContact O-N 3.29Å; I75-A77 PolarHBondContact O-N 2.97Å; I75-A79 PolarHBondContact O-N 3.29Å
76	F	66	Low	60.6	Low	155 Å²	155	97.8 Å²	97.8	68%	0.68	56%	0.56	S	S	*	*	H	α-helix	trans	-66.8	-31.7	-179.1	-81.4	-83.2	0	0	0	114.8	D74 A80	D74-F76 PolarHBondContact O-N 2.98Å; F76-A80 PolarHBondContact O-N 2.71Å
77	A	68.3	Low	63	Low	18 Å²	18	95.1 Å²	95.1	15%	0.149	54%	0.538	C	S	.	.	H	α-helix	trans	-73.2	-33.7	-178.4	0	0	0	0	0	112.1	D74 I75 G81 S206	D74-A77 PolarHBondContact O-N 3.46Å; D74-A77 VanDerWaalsContact O-N 3.07Å; I75-A77 PolarHBondContact O-N 2.97Å; A77-G81 PolarHBondContact O-N 3.48Å; A77-S206 PolarHBondContact O-OG 2.74Å
78	L	70.2	Confident	65.3	Low	139 Å²	139	90.4 Å²	90.4	73%	0.728	52%	0.518	S	S	*	.	H	α-helix	trans	-70.7	-41.7	178.5	-127.1	160.7	0	0	0	111.4	A80 G81 G82	L78-A80 PolarHBondContact O-N 3.45Å; L78-G81 PolarHBondContact O-N 3.32Å; L78-G82 PolarHBondContact O-N 2.98Å
79	A	75.5	Confident	67.4	Low	66 Å²	66	87.4 Å²	87.4	55%	0.545	50%	0.502	S	S	.	.	H	α-helix	trans	-62.5	-40.2	176	0	0	0	0	0	112.9	I75 G82 A83	I75-A79 PolarHBondContact O-N 3.29Å; A79-G82 PolarHBondContact O-N 2.88Å; A79-A83 PolarHBondContact O-N 3.39Å
80	A	73.5	Confident	69.5	Low	16 Å²	16	84.5 Å²	84.5	13%	0.132	49%	0.485	C	S	.	.	H	α-helix	trans	-66.8	-35.1	177.5	0	0	0	0	0	112.9	F76 L78	F76-A80 PolarHBondContact O-N 2.71Å; L78-A80 PolarHBondContact O-N 3.45Å
81	G	75.3	Confident	71.2	Confident	29 Å²	29	79.7 Å²	79.7	30%	0.299	45%	0.454	S	S	.	.	H	α-helix	trans	-65.5	-42.5	175.3	0	0	0	0	0	112.8	A77 L78 A83 S84	A77-G81 PolarHBondContact O-N 3.48Å; L78-G81 PolarHBondContact O-N 3.32Å; G81-A83 PolarHBondContact O-N 3.02Å; G81-S84 PolarHBondContact O-N 3.14Å
82	G	79.7	Confident	72.5	Confident	48 Å²	48	81.6 Å²	81.6	50%	0.495	45%	0.451	S	S	.	.	H	α-helix	trans	-62	-38.8	177.5	0	0	0	0	0	113.8	L78 A79 S84 F85	L78-G82 PolarHBondContact O-N 2.98Å; A79-G82 PolarHBondContact O-N 2.88Å; G82-S84 PolarHBondContact O-N 3.03Å; G82-F85 PolarHBondContact O-N 3.41Å
83	A	78.9	Confident	74.1	Confident	48 Å²	48	81.5 Å²	81.5	40%	0.397	44%	0.439	S	S	.	.	H	α-helix	trans	-67.4	-34.2	-179.7	0	0	0	0	0	113.7	A79 G81 L202	A79-A83 PolarHBondContact O-N 3.39Å; G81-A83 PolarHBondContact O-N 3.02Å; A83-L202 HydrophobicContact CB-CD1 4.36Å
84	S	80.6	Confident	75.1	Confident	9 Å²	9	76.5 Å²	76.5	6%	0.063	41%	0.413	C	S	.	.	H	α-helix	trans	-65.5	-39.1	178.4	-176.9	0	0	0	0	112	G81 G82 A86 L87 S199	G81-S84 PolarHBondContact O-N 3.14Å; G82-S84 PolarHBondContact O-N 3.03Å; S84-A86 PolarHBondContact O-N 3.28Å; S84-L87 PolarHBondContact O-N 3.26Å; S84-S199 PolarHBondContact OG-O 3.39Å
85	F	78.8	Confident	75.7	Confident	142 Å²	142	79.2 Å²	79.2	62%	0.623	43%	0.427	S	S	*	.	H	α-helix	trans	-65.9	-39.1	-179.2	-169.2	-102.4	0	0	0	113	G82 L87 L88 L89	G82-F85 PolarHBondContact O-N 3.41Å; F85-L87 PolarHBondContact O-N 3.26Å; F85-L88 PolarHBondContact O-N 2.88Å; F85-L89 HydrophobicContact CD1-CD1 4.28Å; F85-L89 HydrophobicContact CE1-CD1 3.94Å
86	A	81.6	Confident	75.7	Confident	52 Å²	52	76.4 Å²	76.4	43%	0.43	42%	0.416	S	S	.	.	H	α-helix	trans	-64.1	-37.4	179.7	0	0	0	0	0	113.2	S84 L89	S84-A86 PolarHBondContact O-N 3.28Å; A86-L89 PolarHBondContact O-N 2.74Å
87	L	81.7	Confident	75.8	Confident	40 Å²	40	73.8 Å²	73.8	21%	0.209	41%	0.409	C	S	.	.	H	α-helix	trans	-68.8	-33.3	180	-69.9	172.8	0	0	0	112.8	S84 F85 I90 A91 L195 I198 L202	S84-L87 PolarHBondContact O-N 3.26Å; F85-L87 PolarHBondContact O-N 3.26Å; L87-I90 PolarHBondContact O-N 2.88Å; L87-A91 PolarHBondContact O-N 3.46Å; L87-L195 HydrophobicContact CD2-CD2 3.8Å; L87-I198 HydrophobicContact CD1-CB 4.22Å; L87-I198 HydrophobicContact CD1-CG2 3.67Å; L87-L202 HydrophobicContact CD1-CD1 4.43Å
88	L	80.7	Confident	75.4	Confident	79 Å²	79	75.7 Å²	75.7	41%	0.414	42%	0.419	S	S	.	.	H	α-helix	trans	-66.2	-38.7	178.1	-75.8	169	0	0	0	112.5	F85 I90 A91 W92 L196	F85-L88 PolarHBondContact O-N 2.88Å; L88-I90 VanDerWaalsContact C-N 3.33Å; L88-I90 PolarHBondContact O-N 3.05Å; L88-A91 PolarHBondContact O-N 3.32Å; L88-W92 PolarHBondContact O-N 3.02Å; L88-W92 VanDerWaalsContact O-N 3.12Å; L88-L196 HydrophobicContact CD2-CD2 3.98Å
89	L	79.1	Confident	74.7	Confident	98 Å²	98	73.9 Å²	73.9	51%	0.513	42%	0.415	S	S	.	.	H	α-helix	trans	-64.1	-37.2	177.8	-70	175.2	0	0	0	112.5	F85 A86 W92 W93	F85-L89 HydrophobicContact CD1-CD1 4.28Å; F85-L89 HydrophobicContact CE1-CD1 3.94Å; A86-L89 PolarHBondContact O-N 2.74Å; L89-W92 PolarHBondContact O-N 3.39Å; L89-W93 PolarHBondContact O-N 3.2Å
90	I	79	Confident	74	Confident	88 Å²	88	78.5 Å²	78.5	45%	0.451	43%	0.425	S	S	.	.	H	α-helix	trans	-67.8	-42.9	178	-63.8	170.1	0	0	0	110.8	L87 L88 W92 W93 L94 L195	L87-I90 PolarHBondContact O-N 2.88Å; L88-I90 VanDerWaalsContact C-N 3.33Å; L88-I90 PolarHBondContact O-N 3.05Å; I90-W92 VanDerWaalsContact C-N 3.33Å; I90-W92 PolarHBondContact O-N 3.28Å; I90-W93 PolarHBondContact O-N 2.96Å; I90-L94 PolarHBondContact O-N 2.94Å; I90-L195 HydrophobicContact CG2-CD1 4.07Å
91	A	76.9	Confident	73.5	Confident	6 Å²	6	80.5 Å²	80.5	5%	0.05	43%	0.433	C	S	.	.	H	α-helix	trans	-63	-39.9	178.3	0	0	0	0	0	112	L87 L88 L94 I95 L195	L87-A91 PolarHBondContact O-N 3.46Å; L88-A91 PolarHBondContact O-N 3.32Å; A91-L94 PolarHBondContact O-N 3.3Å; A91-I95 WeakPolarHBondContact O-CG1 3.44Å; A91-L195 HydrophobicContact CB-CB 4.41Å
92	W	76	Confident	73.2	Confident	178 Å²	178	81.9 Å²	81.9	67%	0.674	44%	0.437	S	S	*	.	H	α-helix	trans	-63	-43.1	176.7	-178.9	72.9	0	0	0	112.5	L88 L89 I90 L94 I95 T96	L88-W92 PolarHBondContact O-N 3.02Å; L88-W92 VanDerWaalsContact O-N 3.12Å; L89-W92 PolarHBondContact O-N 3.39Å; I90-W92 VanDerWaalsContact C-N 3.33Å; I90-W92 PolarHBondContact O-N 3.28Å; W92-L94 VanDerWaalsContact C-N 3.33Å; W92-L94 PolarHBondContact O-N 3.41Å; W92-I95 PolarHBondContact O-N 3.12Å; W92-T96 PolarHBondContact O-N 3.35Å; W92-T96 PolarHBondContact O-OG1 2.73Å
93	W	76.7	Confident	73	Confident	161 Å²	161	85.1 Å²	85.1	61%	0.61	44%	0.439	S	S	*	.	H	α-helix	trans	-64.6	-31.9	179.5	-177.9	82.6	0	0	0	114.2	L89 I90 T96 N97	L89-W93 PolarHBondContact O-N 3.2Å; I90-W93 PolarHBondContact O-N 2.96Å; W93-T96 PolarHBondContact O-OG1 2.93Å; W93-N97 PolarHBondContact NE1-ND2 3.16Å; W93-N97 PolarHBondContact O-ND2 3.4Å; W93-N97 VanDerWaalsContact O-ND2 3.1Å
94	L	73.4	Confident	73	Confident	37 Å²	37	83.3 Å²	83.3	19%	0.194	42%	0.423	C	S	.	.	H	α-helix	trans	-71.7	-30.5	177.4	-76.6	170.4	0	0	0	113.1	I90 A91 W92 L195	I90-L94 PolarHBondContact O-N 2.94Å; A91-L94 PolarHBondContact O-N 3.3Å; W92-L94 VanDerWaalsContact C-N 3.33Å; W92-L94 PolarHBondContact O-N 3.41Å; L94-L195 HydrophobicContact CD1-CD1 4.35Å
95	I	70.9	Confident	73.1	Confident	114 Å²	114	85.8 Å²	85.8	59%	0.585	44%	0.438	S	S	*	.	H	α-helix	trans	-76.7	-35.6	-177.3	-67.1	167.9	0	0	0	111	A91 W92 N97	A91-I95 WeakPolarHBondContact O-CG1 3.44Å; W92-I95 PolarHBondContact O-N 3.12Å; I95-N97 PolarHBondContact O-N 2.9Å
96	T	67	Low	73.2	Confident	81 Å²	81	80.7 Å²	80.7	50%	0.497	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-10.5	-172.6	50.8	0	0	0	0	114.8	W92 W93	W92-T96 PolarHBondContact O-N 3.35Å; W92-T96 PolarHBondContact O-OG1 2.73Å; W93-T96 PolarHBondContact O-OG1 2.93Å
97	N	68.7	Low	73.3	Confident	100 Å²	100	86.8 Å²	86.8	54%	0.535	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	17.2	-171.1	-82.7	-52.3	0	0	0	116.1	W93 I95	W93-N97 PolarHBondContact NE1-ND2 3.16Å; W93-N97 PolarHBondContact O-ND2 3.4Å; W93-N97 VanDerWaalsContact O-ND2 3.1Å; I95-N97 PolarHBondContact O-N 2.9Å
98	V	60.3	Low	73.3	Confident	59 Å²	59	88.8 Å²	88.8	36%	0.358	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-99.8	117.8	179.4	-176	0	0	0	0	111.5
99	P	55.8	Low	73.5	Confident	100 Å²	100	85 Å²	85	65%	0.649	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-77.7	133	-179.5	29.1	-33	0	0	0	113.3
100	H	60.3	Low	73.7	Confident	163 Å²	163	81.7 Å²	81.7	76%	0.755	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-89.1	136.5	173.7	-81.3	-78.4	0	0	0	112	L139	H100-L139 WeakPolarHBondContact O-CD1 3.48Å
101	I	63.3	Low	73.9	Confident	58 Å²	58	79.6 Å²	79.6	30%	0.297	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-88.4	127.1	175.9	-57.6	173	0	0	0	109.9	P140 I142	I101-P140 WeakPolarHBondContact CG2-O 3.43Å; I101-I142 HydrophobicContact CG2-CD1 3.92Å; I101-I142 HydrophobicContact CG2-CG1 4.1Å
102	P	68.9	Low	74.2	Confident	59 Å²	59	80.7 Å²	80.7	38%	0.383	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-72.4	147.4	-179.9	24.6	-30	0	0	0	114.2	L141 I142	P102-L141 HydrophobicContact CB-CD2 3.92Å; P102-L141 HydrophobicContact CG-CD2 3.62Å; P102-I142 PolarHBondContact O-N 3.38Å
103	Q	74.6	Confident	74.5	Confident	115 Å²	115	73.2 Å²	73.2	54%	0.537	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	143.3	179.8	-67.3	-177.5	-18.4	0	0	111.6	I142 K144	Q103-I142 CarbonylContact C-O 3.44Å; Q103-I142 VanDerWaalsContact CA-O 3.32Å; Q103-I142 WeakPolarHBondContact CA-O 3.41Å; Q103-K144 HydrophobicContact CB-CB 4.24Å; Q103-K144 HydrophobicContact CB-CD 4.17Å; Q103-K144 HydrophobicContact CB-CG 4.29Å
104	V	78.7	Confident	74.8	Confident	11 Å²	11	72 Å²	72	7%	0.067	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	141.7	-173.3	-175.4	0	0	0	0	111.7	I108 L141 I142 L143 K144	V104-I108 HydrophobicContact CG1-CB 3.47Å; V104-I108 VanDerWaalsContact CG1-CB 3.47Å; V104-I108 HydrophobicContact CG1-CD1 4.34Å; V104-I108 HydrophobicContact CG1-CG1 4.48Å; V104-I108 HydrophobicContact CG1-CG2 3.44Å; V104-I108 VanDerWaalsContact CG1-CG2 3.44Å; V104-L141 HydrophobicContact CG2-CB 3.88Å; V104-L141 HydrophobicContact CG2-CD1 4.1Å; V104-L141 HydrophobicContact CG2-CD2 3.5Å; V104-L141 VanDerWaalsContact CG2-CD2 3.5Å; V104-L141 HydrophobicContact CG2-CG 4.02Å; V104-I142 PolarHBondContact N-O 3.47Å; V104-L143 CarbonylContact O-C 3.5Å; V104-L143 WeakPolarHBondContact O-CA 3.27Å; V104-K144 PolarHBondContact O-N 3.09Å
105	T	83.1	Confident	75.1	Confident	61 Å²	61	76.8 Å²	76.8	37%	0.374	40%	0.398	S	S	.	.			trans	-85	156.3	173.7	27.3	0	0	0	0	112.4	K107 I108 F109	T105-K107 PolarHBondContact O-N 3.33Å; T105-K107 VanDerWaalsContact O-N 3.15Å; T105-I108 PolarHBondContact O-N 3.26Å; T105-I108 WeakPolarHBondContact OG1-CD1 3.42Å; T105-F109 PolarHBondContact O-N 3.33Å; T105-F109 VanDerWaalsContact O-N 3.08Å
106	F	81.7	Confident	75.5	Confident	34 Å²	34	73.6 Å²	73.6	15%	0.149	39%	0.393	C	S	.	.	H	α-helix	trans	-56.3	-34.6	-179	-169.9	-95.4	0	0	0	112.9	I108 F109 V110 L143 D145 I147 F152 N155 L159	F106-I108 PolarHBondContact O-N 3.09Å; F106-F109 HydrophobicContact CD2-CD1 4.02Å; F106-F109 AromaticContact CE2-CD1 3.97Å; F106-F109 HydrophobicContact CE2-CD1 3.97Å; F106-F109 HydrophobicContact CE2-CE1 4.18Å; F106-F109 WeakPolarHBondContact O-CB 3.39Å; F106-F109 PolarHBondContact O-N 3.16Å; F106-V110 HydrophobicContact CD1-CG2 3.97Å; F106-V110 HydrophobicContact CE1-CG2 3.68Å; F106-V110 HydrophobicContact CZ-CG2 4.29Å; F106-V110 WeakPolarHBondContact O-CG2 3.31Å; F106-V110 PolarHBondContact O-N 3.46Å; F106-L143 HydrophobicContact CB-CD2 4.2Å; F106-L143 HydrophobicContact CD2-CD2 4.32Å; F106-D145 WeakPolarHBondContact CB-OD2 3.35Å; F106-D145 PolarHBondContact N-OD2 3.36Å; F106-I147 HydrophobicContact CB-CD1 4.41Å; F106-I147 HydrophobicContact CD2-CD1 4.34Å; F106-I147 HydrophobicContact CG-CD1 4.4Å; F106-F152 HydrophobicContact CD2-CD2 4.11Å; F106-F152 HydrophobicContact CD2-CE2 4.17Å; F106-F152 AromaticContact CE2-CD2 3.81Å; F106-F152 HydrophobicContact CE2-CD2 3.81Å; F106-F152 AromaticContact CE2-CE2 3.83Å; F106-F152 HydrophobicContact CE2-CE2 3.83Å; F106-N155 HydrophobicContact CE1-CB 4.49Å; F106-N155 HydrophobicContact CE2-CB 4.34Å; F106-N155 HydrophobicContact CZ-CB 3.78Å; F106-L159 HydrophobicContact CE1-CD1 4.24Å; F106-L159 HydrophobicContact CZ-CD1 4.01Å
107	K	82.9	Confident	76.1	Confident	180 Å²	180	73.3 Å²	73.3	78%	0.783	39%	0.386	S	S	*	.	H	α-helix	trans	-61.2	-40.7	175.4	-175.1	175.5	178.1	177.8	0	113.3	T105 S111	T105-K107 PolarHBondContact O-N 3.33Å; T105-K107 VanDerWaalsContact O-N 3.15Å; K107-S111 PolarHBondContact O-N 3.35Å
108	I	81.9	Confident	76.6	Confident	83 Å²	83	69 Å²	69	43%	0.426	36%	0.364	S	S	.	.	H	α-helix	trans	-72.3	-38.2	177.7	-62.4	171.9	0	0	0	109.5	V104 T105 F106 V110 S111 M112	V104-I108 HydrophobicContact CG1-CB 3.47Å; V104-I108 VanDerWaalsContact CG1-CB 3.47Å; V104-I108 HydrophobicContact CG1-CD1 4.34Å; V104-I108 HydrophobicContact CG1-CG1 4.48Å; V104-I108 HydrophobicContact CG1-CG2 3.44Å; V104-I108 VanDerWaalsContact CG1-CG2 3.44Å; T105-I108 PolarHBondContact O-N 3.26Å; T105-I108 WeakPolarHBondContact OG1-CD1 3.42Å; F106-I108 PolarHBondContact O-N 3.09Å; I108-V110 VanDerWaalsContact C-N 3.34Å; I108-V110 PolarHBondContact O-N 3.08Å; I108-S111 WeakPolarHBondContact O-CB 3.37Å; I108-S111 PolarHBondContact O-N 3.25Å; I108-S111 VanDerWaalsContact O-N 3.13Å; I108-M112 HydrophobicContact CG2-CE 3.87Å; I108-M112 HydrophobicContact CG2-SD 4.37Å; I108-M112 WeakPolarHBondContact O-CG 3.44Å; I108-M112 PolarHBondContact O-N 3.37Å
109	F	83.7	Confident	77.5	Confident	0 Å²	0	71 Å²	71	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-57.7	-43.8	173	169.6	-111.5	0	0	0	112.4	T105 F106 S111 M112 L113 V118 I121 I131 L143 F152 L156	T105-F109 PolarHBondContact O-N 3.33Å; T105-F109 VanDerWaalsContact O-N 3.08Å; F106-F109 HydrophobicContact CD2-CD1 4.02Å; F106-F109 AromaticContact CE2-CD1 3.97Å; F106-F109 HydrophobicContact CE2-CD1 3.97Å; F106-F109 HydrophobicContact CE2-CE1 4.18Å; F106-F109 WeakPolarHBondContact O-CB 3.39Å; F106-F109 PolarHBondContact O-N 3.16Å; F109-S111 VanDerWaalsContact C-N 3.32Å; F109-S111 PolarHBondContact O-N 2.49Å; F109-M112 WeakPolarHBondContact O-CB 3.13Å; F109-M112 PolarHBondContact O-N 3.27Å; F109-M112 VanDerWaalsContact O-N 3.13Å; F109-L113 HydrophobicContact CD1-CD1 4.1Å; F109-L113 HydrophobicContact CD2-CG 4.45Å; F109-L113 HydrophobicContact CE1-CD1 3.53Å; F109-L113 HydrophobicContact CE1-CG 4.26Å; F109-L113 HydrophobicContact CE2-CD1 4.19Å; F109-L113 HydrophobicContact CE2-CD2 4.18Å; F109-L113 HydrophobicContact CE2-CG 4.04Å; F109-L113 HydrophobicContact CZ-CD1 3.59Å; F109-L113 HydrophobicContact CZ-CD2 4.09Å; F109-L113 HydrophobicContact CZ-CG 3.94Å; F109-L113 WeakPolarHBondContact O-CG 3.39Å; F109-L113 PolarHBondContact O-N 3.33Å; F109-V118 HydrophobicContact CD2-CG2 4.33Å; F109-V118 HydrophobicContact CE2-CG1 4.35Å; F109-V118 HydrophobicContact CE2-CG2 4.09Å; F109-I121 HydrophobicContact CE2-CD1 4.27Å; F109-I121 HydrophobicContact CZ-CD1 3.8Å; F109-I131 HydrophobicContact CB-CD1 4.09Å; F109-I131 HydrophobicContact CD2-CD1 3.33Å; F109-I131 HydrophobicContact CD2-CG1 3.83Å; F109-I131 HydrophobicContact CD2-CG2 4.25Å; F109-I131 HydrophobicContact CE2-CD1 3.98Å; F109-I131 HydrophobicContact CE2-CG1 3.95Å; F109-I131 HydrophobicContact CE2-CG2 4.28Å; F109-I131 HydrophobicContact CG-CD1 3.93Å; F109-L143 HydrophobicContact CD1-CD1 4.43Å; F109-L143 HydrophobicContact CG-CD1 4.33Å; F109-F152 HydrophobicContact CD1-CE2 4.25Å; F109-F152 AromaticContact CE1-CE2 3.75Å; F109-F152 HydrophobicContact CE1-CE2 3.75Å; F109-F152 AromaticContact CE1-CZ 3.92Å; F109-F152 HydrophobicContact CE1-CZ 3.92Å; F109-F152 HydrophobicContact CZ-CE2 4.25Å; F109-F152 AromaticContact CZ-CZ 3.98Å; F109-F152 HydrophobicContact CZ-CZ 3.98Å; F109-L156 HydrophobicContact CE1-CD1 4.1Å; F109-L156 HydrophobicContact CZ-CD1 4.08Å
110	V	84.4	Confident	78.8	Confident	28 Å²	28	70.7 Å²	70.7	17%	0.17	36%	0.355	C	S	.	.	H	α-helix	trans	-59.9	-41.5	173.8	174.5	0	0	0	0	111.6	F106 I108 M112 L113 E114 L159	F106-V110 HydrophobicContact CD1-CG2 3.97Å; F106-V110 HydrophobicContact CE1-CG2 3.68Å; F106-V110 HydrophobicContact CZ-CG2 4.29Å; F106-V110 WeakPolarHBondContact O-CG2 3.31Å; F106-V110 PolarHBondContact O-N 3.46Å; I108-V110 VanDerWaalsContact C-N 3.34Å; I108-V110 PolarHBondContact O-N 3.08Å; V110-M112 VanDerWaalsContact C-N 3.32Å; V110-M112 PolarHBondContact O-N 3.1Å; V110-L113 WeakPolarHBondContact O-CB 3.41Å; V110-L113 PolarHBondContact O-N 2.98Å; V110-E114 WeakPolarHBondContact O-CG 3.48Å; V110-E114 PolarHBondContact O-N 3.29Å; V110-L159 HydrophobicContact CG2-CD1 3.87Å
111	S	83.4	Confident	79.9	Confident	43 Å²	43	63 Å²	63	30%	0.301	32%	0.319	S	S	.	.	H	α-helix	trans	-65	-34.7	175.2	-175.6	0	0	0	0	113	K107 I108 F109 K115	K107-S111 PolarHBondContact O-N 3.35Å; I108-S111 WeakPolarHBondContact O-CB 3.37Å; I108-S111 PolarHBondContact O-N 3.25Å; I108-S111 VanDerWaalsContact O-N 3.13Å; F109-S111 VanDerWaalsContact C-N 3.32Å; F109-S111 PolarHBondContact O-N 2.49Å; S111-K115 WeakPolarHBondContact O-CG 3.46Å; S111-K115 PolarHBondContact O-N 2.93Å
112	M	82.5	Confident	80.7	Confident	30 Å²	30	61.8 Å²	61.8	15%	0.148	31%	0.312	C	S	.	.	H	α-helix	trans	-67.8	-36.4	173.7	-69.8	173.9	170	0	0	111.6	I108 F109 V110 K115 G116 E117 V118 L141	I108-M112 HydrophobicContact CG2-CE 3.87Å; I108-M112 HydrophobicContact CG2-SD 4.37Å; I108-M112 WeakPolarHBondContact O-CG 3.44Å; I108-M112 PolarHBondContact O-N 3.37Å; F109-M112 WeakPolarHBondContact O-CB 3.13Å; F109-M112 PolarHBondContact O-N 3.27Å; F109-M112 VanDerWaalsContact O-N 3.13Å; V110-M112 VanDerWaalsContact C-N 3.32Å; V110-M112 PolarHBondContact O-N 3.1Å; M112-K115 PolarHBondContact O-N 3.2Å; M112-G116 PolarHBondContact O-N 2.65Å; M112-E117 HydrophobicContact CB-CB 4.34Å; M112-E117 PolarHBondContact O-N 3.05Å; M112-V118 HydrophobicContact CB-CG2 3.87Å; M112-L141 HydrophobicContact CE-CD1 3.76Å; M112-L141 HydrophobicContact SD-CD1 4.02Å
113	L	83.2	Confident	81.2	Confident	20 Å²	20	59.2 Å²	59.2	11%	0.105	30%	0.295	C	S	.	.	H	α-helix	trans	-64.2	-46.4	173.4	-71.8	174.1	0	0	0	111.6	F109 V110 K115 G116 V118 L156 W163 I171	F109-L113 HydrophobicContact CD1-CD1 4.1Å; F109-L113 HydrophobicContact CD2-CG 4.45Å; F109-L113 HydrophobicContact CE1-CD1 3.53Å; F109-L113 HydrophobicContact CE1-CG 4.26Å; F109-L113 HydrophobicContact CE2-CD1 4.19Å; F109-L113 HydrophobicContact CE2-CD2 4.18Å; F109-L113 HydrophobicContact CE2-CG 4.04Å; F109-L113 HydrophobicContact CZ-CD1 3.59Å; F109-L113 HydrophobicContact CZ-CD2 4.09Å; F109-L113 HydrophobicContact CZ-CG 3.94Å; F109-L113 WeakPolarHBondContact O-CG 3.39Å; F109-L113 PolarHBondContact O-N 3.33Å; V110-L113 WeakPolarHBondContact O-CB 3.41Å; V110-L113 PolarHBondContact O-N 2.98Å; L113-K115 PolarHBondContact O-N 3.11Å; L113-G116 PolarHBondContact O-N 3.32Å; L113-V118 HydrophobicContact CD2-CB 3.97Å; L113-V118 HydrophobicContact CD2-CG1 4.32Å; L113-V118 HydrophobicContact CD2-CG2 3.89Å; L113-V118 HydrophobicContact CG-CG2 4.27Å; L113-L156 HydrophobicContact CD1-CD1 4.21Å; L113-W163 HydrophobicContact CB-CH2 3.9Å; L113-W163 HydrophobicContact CB-CZ3 3.99Å; L113-I171 HydrophobicContact CD2-CD1 3.17Å
114	E	82.4	Confident	81.1	Confident	137 Å²	137	54.6 Å²	54.6	64%	0.64	28%	0.275	S	S	*	.	H	α-helix	trans	-59.5	-30.6	177.6	-73.5	176.9	171.1	0	0	113.1	V110 W163	V110-E114 WeakPolarHBondContact O-CG 3.48Å; V110-E114 PolarHBondContact O-N 3.29Å; E114-W163 HydrophobicContact CG-CH2 3.93Å; E114-W163 HydrophobicContact CG-CZ2 3.75Å
115	K	80.7	Confident	80.7	Confident	136 Å²	136	58.9 Å²	58.9	59%	0.591	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-7.5	178.1	-67.6	176.5	-174.2	175.6	0	114.2	S111 M112 L113 E117	S111-K115 WeakPolarHBondContact O-CG 3.46Å; S111-K115 PolarHBondContact O-N 2.93Å; M112-K115 PolarHBondContact O-N 3.2Å; L113-K115 PolarHBondContact O-N 3.11Å; K115-E117 VanDerWaalsContact C-N 3.34Å; K115-E117 HydrophobicContact CB-CG 3.81Å; K115-E117 VanDerWaalsContact CD-OE1 3.27Å; K115-E117 WeakPolarHBondContact CD-OE1 3.35Å
116	G	78.1	Confident	79.9	Confident	48 Å²	48	60 Å²	60	50%	0.495	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	27.3	-174.2	0	0	0	0	0	113.8	M112 L113 Y134	M112-G116 PolarHBondContact O-N 2.65Å; L113-G116 PolarHBondContact O-N 3.32Å; G116-Y134 WeakPolarHBondContact O-CD2 3.39Å
117	E	80.5	Confident	79.3	Confident	75 Å²	75	60.1 Å²	60.1	35%	0.35	33%	0.326	S	S	.	.			trans	-85.6	-12.2	-176.2	-69.8	174.6	177.9	0	0	113.3	M112 K115 T133 Y134	M112-E117 HydrophobicContact CB-CB 4.34Å; M112-E117 PolarHBondContact O-N 3.05Å; K115-E117 VanDerWaalsContact C-N 3.34Å; K115-E117 HydrophobicContact CB-CG 3.81Å; K115-E117 VanDerWaalsContact CD-OE1 3.27Å; K115-E117 WeakPolarHBondContact CD-OE1 3.35Å; E117-T133 CarbonylContact O-C 3.54Å; E117-T133 WeakPolarHBondContact O-CA 3.37Å; E117-Y134 PolarHBondContact O-N 3.34Å
118	V	78.8	Confident	78.7	Confident	10 Å²	10	55.2 Å²	55.2	6%	0.061	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	121.1	-177.5	-178.2	0	0	0	0	110.8	F109 M112 L113 I121 I131 I171	F109-V118 HydrophobicContact CD2-CG2 4.33Å; F109-V118 HydrophobicContact CE2-CG1 4.35Å; F109-V118 HydrophobicContact CE2-CG2 4.09Å; M112-V118 HydrophobicContact CB-CG2 3.87Å; L113-V118 HydrophobicContact CD2-CB 3.97Å; L113-V118 HydrophobicContact CD2-CG1 4.32Å; L113-V118 HydrophobicContact CD2-CG2 3.89Å; L113-V118 HydrophobicContact CG-CG2 4.27Å; V118-I121 HydrophobicContact CG1-CG1 4.2Å; V118-I131 HydrophobicContact CG1-CG2 3.99Å; V118-I131 HydrophobicContact CG2-CG2 4.01Å; V118-I171 HydrophobicContact CG1-CD1 4.47Å; V118-I171 HydrophobicContact CG1-CG2 4.43Å
119	Q	79.7	Confident	78.3	Confident	100 Å²	100	51.9 Å²	51.9	47%	0.467	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-45.8	179.6	-172.3	-174.2	15.1	0	0	112.6	L132 Y134	Q119-L132 PolarHBondContact N-O 3.26Å; Q119-Y134 HydrophobicContact CB-CD2 4.02Å; Q119-Y134 HydrophobicContact CB-CE2 3.97Å; Q119-Y134 HydrophobicContact CB-CG 4.45Å; Q119-Y134 HydrophobicContact CG-CE2 4.36Å
120	R	81.7	Confident	77.8	Confident	94 Å²	94	53.7 Å²	53.7	36%	0.355	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	155.2	-179.5	64.5	179.1	179.6	164	6	111.2	L132 P172	R120-L132 HydrophobicContact CG-CB 3.83Å; R120-L132 HydrophobicContact CG-CD1 3.78Å; R120-L132 HydrophobicContact CG-CG 4.42Å; R120-L132 PolarHBondContact N-O 2.97Å; R120-L132 PolarHBondContact O-N 3.01Å; R120-L132 VanDerWaalsContact O-N 3.11Å; R120-P172 HydrophobicContact CB-CG 4.32Å
121	I	83.6	Confident	77.3	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127	178.2	-58	167.3	0	0	0	108.5	F109 V118 V129 F152 L156 I171 P172 V173 Q174	F109-I121 HydrophobicContact CE2-CD1 4.27Å; F109-I121 HydrophobicContact CZ-CD1 3.8Å; V118-I121 HydrophobicContact CG1-CG1 4.2Å; I121-V129 HydrophobicContact CG2-CG1 3.64Å; I121-F152 HydrophobicContact CD1-CZ 4.28Å; I121-F152 HydrophobicContact CG2-CE1 4.08Å; I121-F152 HydrophobicContact CG2-CZ 4.27Å; I121-L156 HydrophobicContact CD1-CD1 4.24Å; I121-L156 HydrophobicContact CD1-CD2 4.02Å; I121-I171 HydrophobicContact CD1-CG2 4.15Å; I121-I171 HydrophobicContact CG1-CG2 4.15Å; I121-P172 PolarHBondContact N-O 2.92Å; I121-V173 HydrophobicContact CB-CG2 4.43Å; I121-V173 WeakPolarHBondContact O-CA 3.46Å; I121-Q174 PolarHBondContact O-N 3.5Å
122	Q	80.2	Confident	76.5	Confident	34 Å²	34	52 Å²	52	16%	0.159	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.2	177	-70.3	-174.2	-33.8	0	0	110.4	F130 L132 Q174	Q122-F130 HydrophobicContact CB-CB 4.22Å; Q122-F130 PolarHBondContact N-O 3.42Å; Q122-F130 PolarHBondContact O-N 3.33Å; Q122-L132 HydrophobicContact CG-CD1 4.18Å; Q122-Q174 WeakPolarHBondContact CA-O 3.29Å
123	I	79.9	Confident	75.8	Confident	5 Å²	5	51.7 Å²	51.7	3%	0.026	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	123	177.2	-56.6	171.8	0	0	0	107.6	V129 V149 L153 V173 Q174 M175 S176	I123-V129 HydrophobicContact CG1-CG2 4.49Å; I123-V149 HydrophobicContact CD1-CG1 3.98Å; I123-V149 HydrophobicContact CG2-CG1 3.96Å; I123-V149 HydrophobicContact CG2-CG2 4.06Å; I123-L153 HydrophobicContact CD1-CD2 4.32Å; I123-V173 HydrophobicContact CD1-CG1 3.49Å; I123-V173 VanDerWaalsContact CD1-CG1 3.49Å; I123-V173 HydrophobicContact CG1-CG1 4.13Å; I123-Q174 PolarHBondContact N-O 2.94Å; I123-M175 WeakPolarHBondContact O-CA 3.31Å; I123-S176 PolarHBondContact O-N 3.46Å; I123-S176 VanDerWaalsContact O-N 3.1Å
124	T	72.5	Confident	74.7	Confident	17 Å²	17	57.9 Å²	57.9	10%	0.104	31%	0.309	C	S	.	.			trans	-81	158.3	174	50.8	0	0	0	0	111.4	S126 G127 D128 F130	T124-S126 WeakPolarHBondContact CB-OG 3.46Å; T124-S126 PolarHBondContact O-N 2.75Å; T124-S126 VanDerWaalsContact O-N 3.16Å; T124-S126 PolarHBondContact OG1-OG 2.99Å; T124-G127 PolarHBondContact O-N 3.05Å; T124-D128 PolarHBondContact N-O 2.79Å; T124-D128 WeakPolarHBondContact OG1-CB 3.1Å; T124-D128 PolarHBondContact OG1-N 3.01Å; T124-D128 VanDerWaalsContact OG1-N 3.14Å; T124-D128 PolarHBondContact OG1-O 3.28Å; T124-F130 HydrophobicContact CG2-CD2 3.93Å; T124-F130 HydrophobicContact CG2-CE2 3.56Å
125	S	69.1	Low	73.6	Confident	102 Å²	102	57.2 Å²	57.2	71%	0.713	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.6	170	34.9	0	0	0	0	113.7	G127 D177	S125-G127 VanDerWaalsContact C-N 3.31Å; S125-D177 WeakPolarHBondContact CB-OD1 3.3Å; S125-D177 PolarHBondContact OG-OD1 3.36Å
126	S	68.2	Low	72	Confident	85 Å²	85	60.4 Å²	60.4	59%	0.594	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-8.9	171	56.1	0	0	0	0	114.5	T124 D128	T124-S126 WeakPolarHBondContact CB-OG 3.46Å; T124-S126 PolarHBondContact O-N 2.75Å; T124-S126 VanDerWaalsContact O-N 3.16Å; T124-S126 PolarHBondContact OG1-OG 2.99Å; S126-D128 PolarHBondContact OG-OD2 3.46Å
127	G	68.8	Low	70.8	Confident	35 Å²	35	62.1 Å²	62.1	36%	0.361	34%	0.341	S	S	.	.	S	Bend	trans	89.1	8	-178.2	0	0	0	0	0	115	T124 S125	T124-G127 PolarHBondContact O-N 3.05Å; S125-G127 VanDerWaalsContact C-N 3.31Å
128	D	70.1	Confident	69.8	Low	78 Å²	78	64.2 Å²	64.2	42%	0.417	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-85	138.3	177.5	-54.4	-59.5	0	0	0	110.8	T124 S126 F130	T124-D128 PolarHBondContact N-O 2.79Å; T124-D128 WeakPolarHBondContact OG1-CB 3.1Å; T124-D128 PolarHBondContact OG1-N 3.01Å; T124-D128 VanDerWaalsContact OG1-N 3.14Å; T124-D128 PolarHBondContact OG1-O 3.28Å; S126-D128 PolarHBondContact OG-OD2 3.46Å; D128-F130 HydrophobicContact CB-CD2 4.47Å; D128-F130 HydrophobicContact CB-CE2 3.88Å
129	V	73.9	Confident	69	Low	13 Å²	13	67.5 Å²	67.5	8%	0.079	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	116	178.9	-175.9	0	0	0	0	109.6	I121 I123 L143 F152	I121-V129 HydrophobicContact CG2-CG1 3.64Å; I123-V129 HydrophobicContact CG1-CG2 4.49Å; V129-L143 HydrophobicContact CB-CB 4.05Å; V129-L143 HydrophobicContact CB-CD1 4.16Å; V129-L143 HydrophobicContact CG1-CD1 3.83Å; V129-L143 PolarHBondContact O-N 3.28Å; V129-L143 VanDerWaalsContact O-N 3.08Å; V129-F152 HydrophobicContact CG1-CD1 4.47Å; V129-F152 HydrophobicContact CG1-CE1 3.93Å; V129-F152 HydrophobicContact CG1-CE2 4.34Å; V129-F152 HydrophobicContact CG1-CZ 3.86Å; V129-F152 HydrophobicContact CG2-CD1 4.25Å; V129-F152 HydrophobicContact CG2-CG 4.4Å
130	F	73.5	Confident	68.2	Low	37 Å²	37	64.4 Å²	64.4	16%	0.162	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.4	175.9	-70	-92.7	0	0	0	110.4	Q122 T124 D128 P140 L141 I142	Q122-F130 HydrophobicContact CB-CB 4.22Å; Q122-F130 PolarHBondContact N-O 3.42Å; Q122-F130 PolarHBondContact O-N 3.33Å; T124-F130 HydrophobicContact CG2-CD2 3.93Å; T124-F130 HydrophobicContact CG2-CE2 3.56Å; D128-F130 HydrophobicContact CB-CD2 4.47Å; D128-F130 HydrophobicContact CB-CE2 3.88Å; F130-P140 HydrophobicContact CD1-CB 4.41Å; F130-L141 WeakPolarHBondContact CA-O 3.41Å; F130-I142 HydrophobicContact CD1-CG1 3.79Å; F130-I142 HydrophobicContact CE1-CD1 3.72Å; F130-I142 HydrophobicContact CE1-CG1 3.47Å; F130-I142 VanDerWaalsContact CE1-CG1 3.47Å; F130-I142 HydrophobicContact CZ-CD1 4.18Å; F130-I142 HydrophobicContact CZ-CG1 4.18Å
131	I	72.2	Confident	67.8	Low	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.5	177.6	-57.9	156.7	0	0	0	108.3	F109 V118 T133 L141 L143	F109-I131 HydrophobicContact CB-CD1 4.09Å; F109-I131 HydrophobicContact CD2-CD1 3.33Å; F109-I131 HydrophobicContact CD2-CG1 3.83Å; F109-I131 HydrophobicContact CD2-CG2 4.25Å; F109-I131 HydrophobicContact CE2-CD1 3.98Å; F109-I131 HydrophobicContact CE2-CG1 3.95Å; F109-I131 HydrophobicContact CE2-CG2 4.28Å; F109-I131 HydrophobicContact CG-CD1 3.93Å; V118-I131 HydrophobicContact CG1-CG2 3.99Å; V118-I131 HydrophobicContact CG2-CG2 4.01Å; I131-T133 HydrophobicContact CG2-CG2 4.5Å; I131-L141 HydrophobicContact CB-CB 4.35Å; I131-L141 PolarHBondContact N-O 2.88Å; I131-L141 PolarHBondContact O-N 2.99Å; I131-L141 VanDerWaalsContact O-N 3.16Å; I131-L143 HydrophobicContact CD1-CD1 3.66Å; I131-L143 HydrophobicContact CD1-CG 3.89Å; I131-L143 HydrophobicContact CG1-CD1 4.14Å
132	L	66.7	Low	67.3	Low	36 Å²	36	62.5 Å²	62.5	19%	0.188	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122.8	175.5	-75.4	161.6	0	0	0	110	Q119 R120 Q122 P140	Q119-L132 PolarHBondContact N-O 3.26Å; R120-L132 HydrophobicContact CG-CB 3.83Å; R120-L132 HydrophobicContact CG-CD1 3.78Å; R120-L132 HydrophobicContact CG-CG 4.42Å; R120-L132 PolarHBondContact N-O 2.97Å; R120-L132 PolarHBondContact O-N 3.01Å; R120-L132 VanDerWaalsContact O-N 3.11Å; Q122-L132 HydrophobicContact CG-CD1 4.18Å; L132-P140 HydrophobicContact CD2-CB 4.04Å
133	T	69.1	Low	66.9	Low	23 Å²	23	61.9 Å²	61.9	14%	0.141	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	154.5	-174.6	50.3	0	0	0	0	112.6	E117 I131 Q135 L141	E117-T133 CarbonylContact O-C 3.54Å; E117-T133 WeakPolarHBondContact O-CA 3.37Å; I131-T133 HydrophobicContact CG2-CG2 4.5Å; T133-Q135 PolarHBondContact O-N 3.1Å; T133-L141 HydrophobicContact CG2-CD1 3.78Å
134	Y	60.1	Low	66.2	Low	151 Å²	151	68.3 Å²	68.3	59%	0.592	38%	0.378	S	S	*	.	S	Bend	trans	-62.4	-12.4	-176.9	-93.4	-86.8	0	0	0	115.9	G116 E117 Q119 H136	G116-Y134 WeakPolarHBondContact O-CD2 3.39Å; E117-Y134 PolarHBondContact O-N 3.34Å; Q119-Y134 HydrophobicContact CB-CD2 4.02Å; Q119-Y134 HydrophobicContact CB-CE2 3.97Å; Q119-Y134 HydrophobicContact CB-CG 4.45Å; Q119-Y134 HydrophobicContact CG-CE2 4.36Å; Y134-H136 PolarHBondContact O-N 2.97Å
135	Q	58.7	Low	65.7	Low	123 Å²	123	70.7 Å²	70.7	58%	0.575	39%	0.39	S	S	*	.	S	Bend	trans	-85.9	104.8	-179	-68.4	-168	-9	0	0	112.3	T133 G137 Q138	T133-Q135 PolarHBondContact O-N 3.1Å; Q135-G137 PolarHBondContact O-N 3.25Å; Q135-Q138 HydrophobicContact CB-CG 4.49Å; Q135-Q138 PolarHBondContact O-N 3.4Å
136	H	46.4	Very low	65.3	Low	202 Å²	202	71.8 Å²	71.8	94%	0.935	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	119.2	168	-87.2	-53.2	0	0	0	110.9	Y134	Y134-H136 PolarHBondContact O-N 2.97Å
137	G	53.6	Low	65.3	Low	85 Å²	85	69.9 Å²	69.9	88%	0.876	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.3	-5.6	174	0	0	0	0	0	115.8	Q135	Q135-G137 PolarHBondContact O-N 3.25Å
138	Q	59.8	Low	65.7	Low	118 Å²	118	72.3 Å²	72.3	55%	0.551	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-91.7	145.2	172.3	-68.4	-173.8	-9.7	0	0	112	Q135	Q135-Q138 HydrophobicContact CB-CG 4.49Å; Q135-Q138 PolarHBondContact O-N 3.4Å
139	L	60.9	Low	66	Low	80 Å²	80	70.2 Å²	70.2	42%	0.419	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-64	145.5	174.8	-73.3	163.7	0	0	0	110.1	H100	H100-L139 WeakPolarHBondContact O-CD1 3.48Å
140	P	64.5	Low	66.3	Low	34 Å²	34	75.3 Å²	75.3	22%	0.221	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-58.7	145.1	175.7	25.9	-34.1	0	0	0	110.9	I101 F130 L132	I101-P140 WeakPolarHBondContact CG2-O 3.43Å; F130-P140 HydrophobicContact CD1-CB 4.41Å; L132-P140 HydrophobicContact CD2-CB 4.04Å
141	L	72.7	Confident	66.7	Low	20 Å²	20	78 Å²	78	11%	0.105	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	137.7	179.4	-65.4	160.4	0	0	0	109.9	P102 V104 M112 F130 I131 T133	P102-L141 HydrophobicContact CB-CD2 3.92Å; P102-L141 HydrophobicContact CG-CD2 3.62Å; V104-L141 HydrophobicContact CG2-CB 3.88Å; V104-L141 HydrophobicContact CG2-CD1 4.1Å; V104-L141 HydrophobicContact CG2-CD2 3.5Å; V104-L141 VanDerWaalsContact CG2-CD2 3.5Å; V104-L141 HydrophobicContact CG2-CG 4.02Å; M112-L141 HydrophobicContact CE-CD1 3.76Å; M112-L141 HydrophobicContact SD-CD1 4.02Å; F130-L141 WeakPolarHBondContact CA-O 3.41Å; I131-L141 HydrophobicContact CB-CB 4.35Å; I131-L141 PolarHBondContact N-O 2.88Å; I131-L141 PolarHBondContact O-N 2.99Å; I131-L141 VanDerWaalsContact O-N 3.16Å; T133-L141 HydrophobicContact CG2-CD1 3.78Å
142	I	71.9	Confident	67.3	Low	34 Å²	34	78.1 Å²	78.1	17%	0.174	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.6	176.1	-61.9	173.7	0	0	0	109.8	I101 P102 Q103 V104 F130	I101-I142 HydrophobicContact CG2-CD1 3.92Å; I101-I142 HydrophobicContact CG2-CG1 4.1Å; P102-I142 PolarHBondContact O-N 3.38Å; Q103-I142 CarbonylContact C-O 3.44Å; Q103-I142 VanDerWaalsContact CA-O 3.32Å; Q103-I142 WeakPolarHBondContact CA-O 3.41Å; V104-I142 PolarHBondContact N-O 3.47Å; F130-I142 HydrophobicContact CD1-CG1 3.79Å; F130-I142 HydrophobicContact CE1-CD1 3.72Å; F130-I142 HydrophobicContact CE1-CG1 3.47Å; F130-I142 VanDerWaalsContact CE1-CG1 3.47Å; F130-I142 HydrophobicContact CZ-CD1 4.18Å; F130-I142 HydrophobicContact CZ-CG1 4.18Å
143	L	71.6	Confident	68.1	Low	22 Å²	22	78.9 Å²	78.9	12%	0.115	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	122.6	175.5	-122.9	153.7	0	0	0	110.5	V104 F106 F109 V129 I131 D145 F152	V104-L143 CarbonylContact O-C 3.5Å; V104-L143 WeakPolarHBondContact O-CA 3.27Å; F106-L143 HydrophobicContact CB-CD2 4.2Å; F106-L143 HydrophobicContact CD2-CD2 4.32Å; F109-L143 HydrophobicContact CD1-CD1 4.43Å; F109-L143 HydrophobicContact CG-CD1 4.33Å; V129-L143 HydrophobicContact CB-CB 4.05Å; V129-L143 HydrophobicContact CB-CD1 4.16Å; V129-L143 HydrophobicContact CG1-CD1 3.83Å; V129-L143 PolarHBondContact O-N 3.28Å; V129-L143 VanDerWaalsContact O-N 3.08Å; I131-L143 HydrophobicContact CD1-CD1 3.66Å; I131-L143 HydrophobicContact CD1-CG 3.89Å; I131-L143 HydrophobicContact CG1-CD1 4.14Å; L143-D145 HydrophobicContact CD2-CB 4.32Å; L143-F152 HydrophobicContact CD1-CD2 4.12Å; L143-F152 HydrophobicContact CD1-CE2 3.46Å; L143-F152 VanDerWaalsContact CD1-CE2 3.46Å; L143-F152 HydrophobicContact CD1-CZ 4.09Å
144	K	66	Low	68.9	Low	140 Å²	140	84.7 Å²	84.7	61%	0.609	45%	0.446	S	S	*	.			trans	-94.5	10.3	-171.9	-154.8	-171	174.2	168.7	0	114.5	Q103 V104	Q103-K144 HydrophobicContact CB-CB 4.24Å; Q103-K144 HydrophobicContact CB-CD 4.17Å; Q103-K144 HydrophobicContact CB-CG 4.29Å; V104-K144 PolarHBondContact O-N 3.09Å
145	D	62.8	Low	70.1	Confident	66 Å²	66	80 Å²	80	35%	0.353	43%	0.431	S	S	.	.			trans	-92.8	142.7	-175	-88	-40.3	0	0	0	112.9	F106 L143 I147	F106-D145 WeakPolarHBondContact CB-OD2 3.35Å; F106-D145 PolarHBondContact N-OD2 3.36Å; L143-D145 HydrophobicContact CD2-CB 4.32Å; D145-I147 HydrophobicContact CB-CD1 3.69Å; D145-I147 HydrophobicContact CB-CG1 3.92Å; D145-I147 PolarHBondContact O-N 3.27Å
146	S	60.6	Low	71.4	Confident	125 Å²	125	74.5 Å²	74.5	87%	0.874	41%	0.405	S	S	*	.			trans	-74.2	40.2	178	61.8	0	0	0	0	112.8
147	I	67	Low	73.2	Confident	45 Å²	45	69.7 Å²	69.7	23%	0.231	38%	0.383	C	S	.	.			trans	-98.2	128.8	-175.8	-64.8	168.9	0	0	0	107.1	F106 D145 E151 F152	F106-I147 HydrophobicContact CB-CD1 4.41Å; F106-I147 HydrophobicContact CD2-CD1 4.34Å; F106-I147 HydrophobicContact CG-CD1 4.4Å; D145-I147 HydrophobicContact CB-CD1 3.69Å; D145-I147 HydrophobicContact CB-CG1 3.92Å; D145-I147 PolarHBondContact O-N 3.27Å; I147-E151 HydrophobicContact CG2-CB 3.59Å; I147-E151 HydrophobicContact CG2-CG 3.67Å; I147-F152 HydrophobicContact CG2-CB 3.93Å
148	T	77.5	Confident	74.8	Confident	87 Å²	87	68.4 Å²	68.4	53%	0.534	36%	0.361	S	S	.	.			trans	-63.7	148.9	174.4	59.6	0	0	0	0	110.1	N150 E151 F152	T148-N150 PolarHBondContact O-N 3.23Å; T148-E151 WeakPolarHBondContact O-CA 3.29Å; T148-E151 WeakPolarHBondContact O-CB 3.29Å; T148-E151 PolarHBondContact O-N 2.95Å; T148-E151 VanDerWaalsContact OG1-CB 3.25Å; T148-E151 WeakPolarHBondContact OG1-CB 3.45Å; T148-E151 PolarHBondContact OG1-N 2.92Å; T148-F152 PolarHBondContact O-N 3.12Å
149	V	76.4	Confident	76	Confident	34 Å²	34	64.6 Å²	64.6	21%	0.206	34%	0.344	C	S	.	.	H	α-helix	trans	-49.5	-39.3	178.1	174.4	0	0	0	0	112.1	I123 F152 L153	I123-V149 HydrophobicContact CD1-CG1 3.98Å; I123-V149 HydrophobicContact CG2-CG1 3.96Å; I123-V149 HydrophobicContact CG2-CG2 4.06Å; V149-F152 PolarHBondContact O-N 3.4Å; V149-L153 HydrophobicContact CG1-CD1 4.18Å; V149-L153 VanDerWaalsContact O-CG 3.3Å; V149-L153 WeakPolarHBondContact O-CG 3.27Å; V149-L153 PolarHBondContact O-N 3.46Å
150	N	79.9	Confident	77.2	Confident	119 Å²	119	61.6 Å²	61.6	64%	0.636	33%	0.328	S	S	*	.	H	α-helix	trans	-66.7	-37.4	177.4	-68.1	-20.4	0	0	0	113.4	T148 K154	T148-N150 PolarHBondContact O-N 3.23Å; N150-K154 WeakPolarHBondContact O-CG 3.21Å; N150-K154 PolarHBondContact O-N 2.98Å
151	E	82.3	Confident	78.2	Confident	93 Å²	93	64.8 Å²	64.8	44%	0.435	34%	0.343	S	S	.	.	H	α-helix	trans	-73.7	-36.3	177	-173.7	-177.4	-172.1	0	0	111.2	I147 T148 K154 N155	I147-E151 HydrophobicContact CG2-CB 3.59Å; I147-E151 HydrophobicContact CG2-CG 3.67Å; T148-E151 WeakPolarHBondContact O-CA 3.29Å; T148-E151 WeakPolarHBondContact O-CB 3.29Å; T148-E151 PolarHBondContact O-N 2.95Å; T148-E151 VanDerWaalsContact OG1-CB 3.25Å; T148-E151 WeakPolarHBondContact OG1-CB 3.45Å; T148-E151 PolarHBondContact OG1-N 2.92Å; E151-K154 PolarHBondContact O-N 2.85Å; E151-N155 WeakPolarHBondContact O-CB 3.14Å; E151-N155 VanDerWaalsContact O-CG 3.26Å; E151-N155 PolarHBondContact O-N 2.88Å; E151-N155 PolarHBondContact O-ND2 3.1Å
152	F	83.8	Confident	78.9	Confident	4 Å²	4	69.4 Å²	69.4	2%	0.018	37%	0.372	C	S	.	.	H	α-helix	trans	-60.5	-46.9	171.3	173.7	-97.9	0	0	0	111	F106 F109 I121 V129 L143 I147 T148 V149 K154 N155 L156	F106-F152 HydrophobicContact CD2-CD2 4.11Å; F106-F152 HydrophobicContact CD2-CE2 4.17Å; F106-F152 AromaticContact CE2-CD2 3.81Å; F106-F152 HydrophobicContact CE2-CD2 3.81Å; F106-F152 AromaticContact CE2-CE2 3.83Å; F106-F152 HydrophobicContact CE2-CE2 3.83Å; F109-F152 HydrophobicContact CD1-CE2 4.25Å; F109-F152 AromaticContact CE1-CE2 3.75Å; F109-F152 HydrophobicContact CE1-CE2 3.75Å; F109-F152 AromaticContact CE1-CZ 3.92Å; F109-F152 HydrophobicContact CE1-CZ 3.92Å; F109-F152 HydrophobicContact CZ-CE2 4.25Å; F109-F152 AromaticContact CZ-CZ 3.98Å; F109-F152 HydrophobicContact CZ-CZ 3.98Å; I121-F152 HydrophobicContact CD1-CZ 4.28Å; I121-F152 HydrophobicContact CG2-CE1 4.08Å; I121-F152 HydrophobicContact CG2-CZ 4.27Å; V129-F152 HydrophobicContact CG1-CD1 4.47Å; V129-F152 HydrophobicContact CG1-CE1 3.93Å; V129-F152 HydrophobicContact CG1-CE2 4.34Å; V129-F152 HydrophobicContact CG1-CZ 3.86Å; V129-F152 HydrophobicContact CG2-CD1 4.25Å; V129-F152 HydrophobicContact CG2-CG 4.4Å; L143-F152 HydrophobicContact CD1-CD2 4.12Å; L143-F152 HydrophobicContact CD1-CE2 3.46Å; L143-F152 VanDerWaalsContact CD1-CE2 3.46Å; L143-F152 HydrophobicContact CD1-CZ 4.09Å; I147-F152 HydrophobicContact CG2-CB 3.93Å; T148-F152 PolarHBondContact O-N 3.12Å; V149-F152 PolarHBondContact O-N 3.4Å; F152-K154 PolarHBondContact O-N 2.77Å; F152-N155 PolarHBondContact O-N 2.92Å; F152-L156 WeakPolarHBondContact O-CB 3.38Å; F152-L156 PolarHBondContact O-N 2.8Å
153	L	84.1	Confident	79.5	Confident	52 Å²	52	72.9 Å²	72.9	27%	0.272	38%	0.383	S	S	.	.	H	α-helix	trans	-63.1	-39.6	177.2	-71.6	171.9	0	0	0	112.5	I123 V149 L156 Q157 V173	I123-L153 HydrophobicContact CD1-CD2 4.32Å; V149-L153 HydrophobicContact CG1-CD1 4.18Å; V149-L153 VanDerWaalsContact O-CG 3.3Å; V149-L153 WeakPolarHBondContact O-CG 3.27Å; V149-L153 PolarHBondContact O-N 3.46Å; L153-L156 PolarHBondContact O-N 3.38Å; L153-Q157 WeakPolarHBondContact O-CB 3.23Å; L153-Q157 VanDerWaalsContact O-CG 3.31Å; L153-Q157 WeakPolarHBondContact O-CG 3.49Å; L153-Q157 PolarHBondContact O-N 3.24Å; L153-V173 HydrophobicContact CD2-CG1 4.25Å
154	K	85.8	Confident	80	Confident	145 Å²	145	74.9 Å²	74.9	63%	0.63	41%	0.409	S	S	*	.	H	α-helix	trans	-64.4	-41.9	174.5	-78.9	-179.3	178.7	-176.5	0	112.7	N150 E151 F152 L156 Q157 S158	N150-K154 WeakPolarHBondContact O-CG 3.21Å; N150-K154 PolarHBondContact O-N 2.98Å; E151-K154 PolarHBondContact O-N 2.85Å; F152-K154 PolarHBondContact O-N 2.77Å; K154-L156 VanDerWaalsContact C-N 3.35Å; K154-Q157 PolarHBondContact O-N 3.07Å; K154-S158 PolarHBondContact O-N 3.33Å; K154-S158 PolarHBondContact O-OG 3.48Å
155	N	86.2	Confident	80.7	Confident	53 Å²	53	70.8 Å²	70.8	28%	0.283	39%	0.393	S	S	.	.	H	α-helix	trans	-69.3	-34.8	177.8	-69.8	-16	0	0	0	111.8	F106 E151 F152 S158 L159	F106-N155 HydrophobicContact CE1-CB 4.49Å; F106-N155 HydrophobicContact CE2-CB 4.34Å; F106-N155 HydrophobicContact CZ-CB 3.78Å; E151-N155 WeakPolarHBondContact O-CB 3.14Å; E151-N155 VanDerWaalsContact O-CG 3.26Å; E151-N155 PolarHBondContact O-N 2.88Å; E151-N155 PolarHBondContact O-ND2 3.1Å; F152-N155 PolarHBondContact O-N 2.92Å; N155-S158 PolarHBondContact O-OG 3.35Å; N155-L159 VanDerWaalsContact O-CG 3.27Å; N155-L159 WeakPolarHBondContact O-CG 3.28Å; N155-L159 PolarHBondContact O-N 3.27Å
156	L	85.8	Confident	81.5	Confident	6 Å²	6	73.8 Å²	73.8	3%	0.031	41%	0.405	C	S	.	.	H	α-helix	trans	-65.1	-46.9	173	-169.3	73.7	0	0	0	110.6	F109 L113 I121 F152 L153 K154 S158 L159 E160 V173	F109-L156 HydrophobicContact CE1-CD1 4.1Å; F109-L156 HydrophobicContact CZ-CD1 4.08Å; L113-L156 HydrophobicContact CD1-CD1 4.21Å; I121-L156 HydrophobicContact CD1-CD1 4.24Å; I121-L156 HydrophobicContact CD1-CD2 4.02Å; F152-L156 WeakPolarHBondContact O-CB 3.38Å; F152-L156 PolarHBondContact O-N 2.8Å; L153-L156 PolarHBondContact O-N 3.38Å; K154-L156 VanDerWaalsContact C-N 3.35Å; L156-S158 PolarHBondContact O-N 3.28Å; L156-L159 PolarHBondContact O-N 2.96Å; L156-E160 WeakPolarHBondContact O-CG 3.31Å; L156-E160 PolarHBondContact O-N 3.46Å; L156-V173 HydrophobicContact CD2-CG2 4.03Å
157	Q	84.1	Confident	82.2	Confident	102 Å²	102	76 Å²	76	48%	0.477	40%	0.401	S	S	.	.	H	α-helix	trans	-62	-42.6	177.9	-76.6	175.6	-15.7	0	0	112.6	L153 K154 L159 E160 D161	L153-Q157 WeakPolarHBondContact O-CB 3.23Å; L153-Q157 VanDerWaalsContact O-CG 3.31Å; L153-Q157 WeakPolarHBondContact O-CG 3.49Å; L153-Q157 PolarHBondContact O-N 3.24Å; K154-Q157 PolarHBondContact O-N 3.07Å; Q157-L159 VanDerWaalsContact C-N 3.31Å; Q157-L159 PolarHBondContact O-N 3.16Å; Q157-E160 PolarHBondContact O-N 3.36Å; Q157-D161 WeakPolarHBondContact O-CB 3.22Å; Q157-D161 PolarHBondContact O-N 3.19Å
158	S	86.9	Confident	82.7	Confident	58 Å²	58	80.3 Å²	80.3	41%	0.406	42%	0.42	S	S	.	.	H	α-helix	trans	-65.6	-34.1	178.2	67.3	0	0	0	0	112.7	K154 N155 L156 T162	K154-S158 PolarHBondContact O-N 3.33Å; K154-S158 PolarHBondContact O-OG 3.48Å; N155-S158 PolarHBondContact O-OG 3.35Å; L156-S158 PolarHBondContact O-N 3.28Å; S158-T162 WeakPolarHBondContact O-CB 3.34Å; S158-T162 PolarHBondContact O-N 3.03Å; S158-T162 PolarHBondContact O-OG1 3.03Å
159	L	86.3	Confident	82.7	Confident	38 Å²	38	81.5 Å²	81.5	20%	0.199	42%	0.424	C	S	.	.	H	α-helix	trans	-68.1	-45.3	173	-73.2	170	0	0	0	111.7	F106 V110 N155 L156 Q157 D161 T162 W163	F106-L159 HydrophobicContact CE1-CD1 4.24Å; F106-L159 HydrophobicContact CZ-CD1 4.01Å; V110-L159 HydrophobicContact CG2-CD1 3.87Å; N155-L159 VanDerWaalsContact O-CG 3.27Å; N155-L159 WeakPolarHBondContact O-CG 3.28Å; N155-L159 PolarHBondContact O-N 3.27Å; L156-L159 PolarHBondContact O-N 2.96Å; Q157-L159 VanDerWaalsContact C-N 3.31Å; Q157-L159 PolarHBondContact O-N 3.16Å; L159-D161 VanDerWaalsContact C-N 3.33Å; L159-D161 PolarHBondContact O-N 3.25Å; L159-T162 PolarHBondContact O-N 3.38Å; L159-W163 PolarHBondContact O-N 3.46Å
160	E	85	Confident	82.9	Confident	17 Å²	17	83.2 Å²	83.2	8%	0.079	43%	0.426	C	S	.	.	H	α-helix	trans	-59.9	-41.8	176.5	-71.7	176.4	161.6	0	0	112.1	L156 Q157 W163 G164 I165 R170	L156-E160 WeakPolarHBondContact O-CG 3.31Å; L156-E160 PolarHBondContact O-N 3.46Å; Q157-E160 PolarHBondContact O-N 3.36Å; E160-W163 PolarHBondContact O-N 3.24Å; E160-G164 PolarHBondContact O-N 3.44Å; E160-G164 VanDerWaalsContact O-N 3.13Å; E160-I165 HydrophobicContact CG-CD1 4.45Å; E160-I165 PolarHBondContact O-N 2.99Å; E160-I165 VanDerWaalsContact O-N 3.13Å; E160-R170 HydrophobicContact CG-CG 4.5Å; E160-R170 VanDerWaalsContact OE2-CD 3.22Å; E160-R170 WeakPolarHBondContact OE2-CD 3.47Å; E160-R170 IonicContact OE2-CZ 3.81Å; E160-R170 IonicContact OE2-NE 4Å; E160-R170 IonicContact OE2-NH1 2.85Å; E160-R170 PolarHBondContact OE2-NH1 3.27Å
161	D	85.3	Confident	82.9	Confident	101 Å²	101	79.7 Å²	79.7	54%	0.54	41%	0.407	S	S	.	.	H	α-helix	trans	-69.3	-38.1	177.8	-67.6	-14.8	0	0	0	111.5	Q157 L159 W163 G164 R170	Q157-D161 WeakPolarHBondContact O-CB 3.22Å; Q157-D161 PolarHBondContact O-N 3.19Å; L159-D161 VanDerWaalsContact C-N 3.33Å; L159-D161 PolarHBondContact O-N 3.25Å; D161-W163 VanDerWaalsContact C-N 3.29Å; D161-W163 PolarHBondContact O-N 3.43Å; D161-G164 PolarHBondContact O-N 3.16Å; D161-R170 IonicContact OD1-CZ 3.21Å; D161-R170 IonicContact OD1-NH1 2.68Å; D161-R170 IonicContact OD1-NH2 3.04Å; D161-R170 PolarHBondContact OD1-NH2 2.68Å
162	T	87.2	Confident	82.8	Confident	116 Å²	116	78.6 Å²	78.6	71%	0.712	41%	0.408	S	S	*	.	H	α-helix	trans	-65.7	-33.7	175.8	-57.2	0	0	0	0	111.8	S158 L159 G164	S158-T162 WeakPolarHBondContact O-CB 3.34Å; S158-T162 PolarHBondContact O-N 3.03Å; S158-T162 PolarHBondContact O-OG1 3.03Å; L159-T162 PolarHBondContact O-N 3.38Å; T162-G164 VanDerWaalsContact C-N 3.34Å
163	W	85.1	Confident	82.7	Confident	108 Å²	108	81.2 Å²	81.2	41%	0.409	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-3.5	177.4	-67.7	-17.2	0	0	0	114	L113 E114 L159 E160 D161 I165	L113-W163 HydrophobicContact CB-CH2 3.9Å; L113-W163 HydrophobicContact CB-CZ3 3.99Å; E114-W163 HydrophobicContact CG-CH2 3.93Å; E114-W163 HydrophobicContact CG-CZ2 3.75Å; L159-W163 PolarHBondContact O-N 3.46Å; E160-W163 PolarHBondContact O-N 3.24Å; D161-W163 VanDerWaalsContact C-N 3.29Å; D161-W163 PolarHBondContact O-N 3.43Å; W163-I165 VanDerWaalsContact C-N 3.33Å; W163-I165 HydrophobicContact CB-CD1 4.13Å; W163-I165 HydrophobicContact CB-CG1 4Å; W163-I165 HydrophobicContact CE3-CD1 4.04Å; W163-I165 PolarHBondContact O-N 2.68Å
164	G	81.8	Confident	82.5	Confident	63 Å²	63	83.4 Å²	83.4	65%	0.649	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	32.1	177.5	0	0	0	0	0	113.7	E160 D161 T162 E166	E160-G164 PolarHBondContact O-N 3.44Å; E160-G164 VanDerWaalsContact O-N 3.13Å; D161-G164 PolarHBondContact O-N 3.16Å; T162-G164 VanDerWaalsContact C-N 3.34Å; G164-E166 PolarHBondContact O-N 3.38Å
165	I	79.9	Confident	81.9	Confident	54 Å²	54	84.3 Å²	84.3	28%	0.277	44%	0.442	S	S	.	.			trans	-76.7	119.5	-178.9	-59.4	175.8	0	0	0	109.3	E160 W163 D169 R170	E160-I165 HydrophobicContact CG-CD1 4.45Å; E160-I165 PolarHBondContact O-N 2.99Å; E160-I165 VanDerWaalsContact O-N 3.13Å; W163-I165 VanDerWaalsContact C-N 3.33Å; W163-I165 HydrophobicContact CB-CD1 4.13Å; W163-I165 HydrophobicContact CB-CG1 4Å; W163-I165 HydrophobicContact CE3-CD1 4.04Å; W163-I165 PolarHBondContact O-N 2.68Å; I165-D169 HydrophobicContact CG2-CB 3.82Å; I165-R170 HydrophobicContact CG2-CG 3.95Å
166	E	79.8	Confident	80.8	Confident	129 Å²	129	83.2 Å²	83.2	60%	0.603	44%	0.438	S	S	*	.			trans	-61.2	147.7	174.2	-64.9	-165.4	-157	0	0	110.7	G164 H168 D169	G164-E166 PolarHBondContact O-N 3.38Å; E166-H168 PolarHBondContact O-N 3.03Å; E166-H168 IonicContact OE2-CE1 3.96Å; E166-H168 PolarHBondContact OE2-CE1 3.15Å; E166-H168 IonicContact OE2-ND1 3.78Å; E166-H168 PolarHBondContact OE2-ND1 2.79Å; E166-D169 PolarHBondContact O-N 3.27Å
167	E	76.3	Confident	79.3	Confident	172 Å²	172	89 Å²	89	80%	0.804	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-52.9	-29.4	-173.5	-72.6	-176.5	166.5	0	0	114.3
168	H	78	Confident	77.8	Confident	136 Å²	136	90.9 Å²	90.9	63%	0.63	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-78.2	-16.9	-178.4	66.9	-94.7	0	0	0	114.4	E166	E166-H168 PolarHBondContact O-N 3.03Å; E166-H168 IonicContact OE2-CE1 3.96Å; E166-H168 PolarHBondContact OE2-CE1 3.15Å; E166-H168 IonicContact OE2-ND1 3.78Å; E166-H168 PolarHBondContact OE2-ND1 2.79Å
169	D	76.6	Confident	75.9	Confident	112 Å²	112	93.3 Å²	93.3	60%	0.599	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-102.1	4.2	-177.9	-78.7	-16.2	0	0	0	113	I165 E166	I165-D169 HydrophobicContact CG2-CB 3.82Å; E166-D169 PolarHBondContact O-N 3.27Å
170	R	81.5	Confident	74.1	Confident	69 Å²	69	97.4 Å²	97.4	26%	0.26	52%	0.517	S	S	.	.	S	Bend	trans	-72.1	148.6	-179.9	-65.9	177.8	178.8	-140.4	5.8	112.1	E160 D161 I165	E160-R170 HydrophobicContact CG-CG 4.5Å; E160-R170 VanDerWaalsContact OE2-CD 3.22Å; E160-R170 WeakPolarHBondContact OE2-CD 3.47Å; E160-R170 IonicContact OE2-CZ 3.81Å; E160-R170 IonicContact OE2-NE 4Å; E160-R170 IonicContact OE2-NH1 2.85Å; E160-R170 PolarHBondContact OE2-NH1 3.27Å; D161-R170 IonicContact OD1-CZ 3.21Å; D161-R170 IonicContact OD1-NH1 2.68Å; D161-R170 IonicContact OD1-NH2 3.04Å; D161-R170 PolarHBondContact OD1-NH2 2.68Å; I165-R170 HydrophobicContact CG2-CG 3.95Å
171	I	80.1	Confident	72.6	Confident	45 Å²	45	101.5 Å²	101.5	23%	0.231	54%	0.54	C	S	.	.	P	Polyproline II helix	trans	-68.9	130.3	-178.2	-66.4	162.4	0	0	0	109.5	L113 V118 I121 V173	L113-I171 HydrophobicContact CD2-CD1 3.17Å; V118-I171 HydrophobicContact CG1-CD1 4.47Å; V118-I171 HydrophobicContact CG1-CG2 4.43Å; I121-I171 HydrophobicContact CD1-CG2 4.15Å; I121-I171 HydrophobicContact CG1-CG2 4.15Å; I171-V173 PolarHBondContact O-N 3Å
172	P	79.5	Confident	71	Confident	71 Å²	71	101.6 Å²	101.6	46%	0.461	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-67.9	122.7	-178.2	26	-33.8	0	0	0	111.6	R120 I121	R120-P172 HydrophobicContact CB-CG 4.32Å; I121-P172 PolarHBondContact N-O 2.92Å
173	V	81.8	Confident	69	Low	59 Å²	59	103.4 Å²	103.4	36%	0.358	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	123.1	171.4	-177.3	0	0	0	0	109.1	I121 I123 L153 L156 I171	I121-V173 HydrophobicContact CB-CG2 4.43Å; I121-V173 WeakPolarHBondContact O-CA 3.46Å; I123-V173 HydrophobicContact CD1-CG1 3.49Å; I123-V173 VanDerWaalsContact CD1-CG1 3.49Å; I123-V173 HydrophobicContact CG1-CG1 4.13Å; L153-V173 HydrophobicContact CD2-CG1 4.25Å; L156-V173 HydrophobicContact CD2-CG2 4.03Å; I171-V173 PolarHBondContact O-N 3Å
174	Q	79	Confident	67.5	Low	97 Å²	97	101.2 Å²	101.2	45%	0.453	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	137.5	-179.9	-68	-177.4	-14.3	0	0	111.8	I121 Q122 I123	I121-Q174 PolarHBondContact O-N 3.5Å; Q122-Q174 WeakPolarHBondContact CA-O 3.29Å; I123-Q174 PolarHBondContact N-O 2.94Å
175	M	74	Confident	66.2	Low	165 Å²	165	104 Å²	104	81%	0.813	54%	0.544	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	129.1	166.2	-74.3	-168.2	168.6	0	0	110	I123	I123-M175 WeakPolarHBondContact O-CA 3.31Å
176	S	63.1	Low	64.9	Low	29 Å²	29	111 Å²	111	20%	0.203	57%	0.566	C	S	.	*			trans	-139	132.2	178.5	63	0	0	0	0	112.9	I123	I123-S176 PolarHBondContact O-N 3.46Å; I123-S176 VanDerWaalsContact O-N 3.1Å
177	D	55	Low	63.8	Low	128 Å²	128	113 Å²	113	68%	0.684	57%	0.569	S	S	*	*			trans	-93.9	20.8	-173.8	-72.4	-41.9	0	0	0	115.6	S125 P179	S125-D177 WeakPolarHBondContact CB-OD1 3.3Å; S125-D177 PolarHBondContact OG-OD1 3.36Å; D177-P179 WeakPolarHBondContact O-CD 3.31Å
178	L	51.5	Low	63.1	Low	142 Å²	142	107.3 Å²	107.3	74%	0.743	54%	0.544	S	S	*	.			trans	-103.4	112	-175.3	-92.8	124.5	0	0	0	113.1	L180	L178-L180 PolarHBondContact O-N 3.42Å
179	P	46.9	Very low	62.5	Low	108 Å²	108	104.4 Å²	104.4	70%	0.701	54%	0.538	S	S	*	.			trans	-79.2	99.1	176.7	31.2	-31.8	0	0	0	110.6	D177 N181	D177-P179 WeakPolarHBondContact O-CD 3.31Å; P179-N181 PolarHBondContact O-N 2.83Å
180	L	48.6	Very low	62.2	Low	125 Å²	125	107.1 Å²	107.1	65%	0.654	55%	0.545	S	S	*	.			trans	-73.1	112.8	170.5	-82.8	150.7	0	0	0	110.2	L178	L178-L180 PolarHBondContact O-N 3.42Å
181	N	53.2	Low	61.7	Low	102 Å²	102	108.3 Å²	108.3	55%	0.545	56%	0.556	S	S	.	*	S	Bend	trans	89	10.7	152.6	-61.3	-17.4	0	0	0	122.7	P179	P179-N181 PolarHBondContact O-N 2.83Å
182	T	52.8	Low	61.2	Low	103 Å²	103	106.8 Å²	106.8	63%	0.632	55%	0.549	S	S	*	.	H	α-helix	trans	-77.7	-20.8	173.9	51.9	0	0	0	0	114.8
183	F	45.3	Very low	61	Low	155 Å²	155	106 Å²	106	68%	0.68	55%	0.549	S	S	*	.	H	α-helix	trans	-74.4	-40.8	-174.8	-165	-94.9	0	0	0	113.7	Q185 R186	F183-Q185 PolarHBondContact O-N 3.24Å; F183-R186 PolarHBondContact O-N 3.48Å
184	A	52.4	Low	60.8	Low	62 Å²	62	104.9 Å²	104.9	51%	0.512	55%	0.549	S	S	.	.	H	α-helix	trans	-67.1	-35.8	-177.1	0	0	0	0	0	112.8	R186 W187	A184-R186 VanDerWaalsContact C-N 3.27Å; A184-R186 PolarHBondContact O-N 3.41Å; A184-W187 PolarHBondContact O-N 3.38Å
185	Q	56.2	Low	60.7	Low	122 Å²	122	102 Å²	102	57%	0.57	54%	0.536	S	S	*	.	H	α-helix	trans	-66.7	-28.3	-179.6	-157.3	177.3	-2.6	0	0	112.5	F183	F183-Q185 PolarHBondContact O-N 3.24Å
186	R	51.9	Low	60.8	Low	201 Å²	201	98 Å²	98	76%	0.758	52%	0.518	S	S	*	.	H	α-helix	trans	-79.7	-26.8	-177.1	-119.8	178.6	172.7	-177.4	-1.4	114.3	F183 A184 S189	F183-R186 PolarHBondContact O-N 3.48Å; A184-R186 VanDerWaalsContact C-N 3.27Å; A184-R186 PolarHBondContact O-N 3.41Å; R186-S189 PolarHBondContact O-OG 3.07Å
187	W	55.6	Low	61.6	Low	171 Å²	171	103.1 Å²	103.1	65%	0.648	54%	0.542	S	S	*	.	H	α-helix	trans	-85.8	-35.5	-179.3	-94.5	63.6	0	0	0	113	A184 S189 K190 L191	A184-W187 PolarHBondContact O-N 3.38Å; W187-S189 VanDerWaalsContact C-N 3.32Å; W187-S189 PolarHBondContact O-N 3.46Å; W187-K190 PolarHBondContact O-N 3.44Å; W187-L191 PolarHBondContact O-N 2.86Å
188	N	61.9	Low	62.8	Low	52 Å²	52	101.7 Å²	101.7	28%	0.278	53%	0.533	S	S	.	.	H	α-helix	trans	-62	-36.5	179.9	-79.3	-4.8	0	0	0	113	K190 L191 C192	N188-K190 PolarHBondContact O-N 3.04Å; N188-L191 PolarHBondContact O-N 2.95Å; N188-C192 PolarHBondContact O-N 3.42Å; N188-C192 PolarHBondContact O-SG 3.22Å; N188-C192 VanDerWaalsContact O-SG 3.39Å
189	S	64.9	Low	64.1	Low	74 Å²	74	95.1 Å²	95.1	52%	0.517	50%	0.5	S	S	.	.	H	α-helix	trans	-66.8	-38	-179.2	60.4	0	0	0	0	113.7	R186 W187 A193	R186-S189 PolarHBondContact O-OG 3.07Å; W187-S189 VanDerWaalsContact C-N 3.32Å; W187-S189 PolarHBondContact O-N 3.46Å; S189-A193 PolarHBondContact O-N 3.17Å
190	K	71.6	Confident	65.7	Low	170 Å²	170	94.1 Å²	94.1	74%	0.739	49%	0.494	S	S	*	.	H	α-helix	trans	-70.5	-36.4	179.6	-69.5	-172.5	177.5	-175.9	0	112.6	W187 N188 G194	W187-K190 PolarHBondContact O-N 3.44Å; N188-K190 PolarHBondContact O-N 3.04Å; K190-G194 PolarHBondContact O-N 2.87Å
191	L	70.7	Confident	67.1	Low	93 Å²	93	90.4 Å²	90.4	49%	0.487	49%	0.486	S	S	.	.	H	α-helix	trans	-68.2	-42.4	177.6	-78.7	165.5	0	0	0	112	W187 N188 A193 G194 L195	W187-L191 PolarHBondContact O-N 2.86Å; N188-L191 PolarHBondContact O-N 2.95Å; L191-A193 VanDerWaalsContact C-N 3.34Å; L191-A193 PolarHBondContact O-N 3.07Å; L191-G194 PolarHBondContact O-N 3.27Å; L191-L195 PolarHBondContact O-N 3.32Å
192	C	70	Confident	68.3	Low	13 Å²	13	88.2 Å²	88.2	9%	0.088	47%	0.474	C	S	.	.	H	α-helix	trans	-60.6	-41.2	176.1	-71.2	0	0	0	0	112.4	N188 G194 L195 L196	N188-C192 PolarHBondContact O-N 3.42Å; N188-C192 PolarHBondContact O-SG 3.22Å; N188-C192 VanDerWaalsContact O-SG 3.39Å; C192-G194 PolarHBondContact O-N 3.49Å; C192-L195 PolarHBondContact O-N 3.45Å; C192-L196 PolarHBondContact O-N 2.97Å
193	A	74.7	Confident	69.5	Low	55 Å²	55	89 Å²	89	46%	0.455	47%	0.469	S	S	.	.	H	α-helix	trans	-63.6	-39.1	178.4	0	0	0	0	0	112.9	S189 L191 L197	S189-A193 PolarHBondContact O-N 3.17Å; L191-A193 VanDerWaalsContact C-N 3.34Å; L191-A193 PolarHBondContact O-N 3.07Å; A193-L197 PolarHBondContact O-N 2.76Å
194	G	77.8	Confident	71	Confident	35 Å²	35	84.4 Å²	84.4	36%	0.361	46%	0.46	S	S	.	.	H	α-helix	trans	-66.2	-41.5	178.3	0	0	0	0	0	113.3	K190 L191 C192 L196 L197	K190-G194 PolarHBondContact O-N 2.87Å; L191-G194 PolarHBondContact O-N 3.27Å; C192-G194 PolarHBondContact O-N 3.49Å; G194-L196 PolarHBondContact O-N 3.2Å; G194-L197 PolarHBondContact O-N 2.81Å
195	L	76.8	Confident	72.2	Confident	36 Å²	36	87.5 Å²	87.5	19%	0.188	46%	0.462	C	S	.	.	H	α-helix	trans	-65.5	-38.4	-179.9	-72.5	166.3	0	0	0	112.5	L87 I90 A91 L94 L191 C192 I198 S199	L87-L195 HydrophobicContact CD2-CD2 3.8Å; I90-L195 HydrophobicContact CG2-CD1 4.07Å; A91-L195 HydrophobicContact CB-CB 4.41Å; L94-L195 HydrophobicContact CD1-CD1 4.35Å; L191-L195 PolarHBondContact O-N 3.32Å; C192-L195 PolarHBondContact O-N 3.45Å; L195-I198 PolarHBondContact O-N 3.33Å; L195-S199 PolarHBondContact O-N 3.42Å; L195-S199 PolarHBondContact O-OG 2.97Å
196	L	76.4	Confident	73.2	Confident	83 Å²	83	82.2 Å²	82.2	44%	0.435	44%	0.438	S	S	.	.	H	α-helix	trans	-65.8	-36.8	178.8	-78.6	165.8	0	0	0	113.4	L88 C192 G194 S199 C200	L88-L196 HydrophobicContact CD2-CD2 3.98Å; C192-L196 PolarHBondContact O-N 2.97Å; G194-L196 PolarHBondContact O-N 3.2Å; L196-S199 PolarHBondContact O-OG 2.94Å; L196-C200 PolarHBondContact O-N 3.25Å
197	L	79.8	Confident	74.3	Confident	136 Å²	136	76 Å²	76	71%	0.712	42%	0.419	S	S	*	.	H	α-helix	trans	-66.9	-39	179.1	-73.7	170.8	0	0	0	112.1	A193 G194 G201	A193-L197 PolarHBondContact O-N 2.76Å; G194-L197 PolarHBondContact O-N 2.81Å; L197-G201 PolarHBondContact O-N 3.08Å
198	I	80.4	Confident	75.3	Confident	97 Å²	97	78.1 Å²	78.1	50%	0.497	43%	0.427	S	S	.	.	H	α-helix	trans	-69.1	-40.9	-179.8	-61.5	168.9	0	0	0	110.7	L87 L195 C200 G201 L202	L87-I198 HydrophobicContact CD1-CB 4.22Å; L87-I198 HydrophobicContact CD1-CG2 3.67Å; L195-I198 PolarHBondContact O-N 3.33Å; I198-C200 VanDerWaalsContact C-N 3.34Å; I198-C200 PolarHBondContact O-N 2.91Å; I198-G201 PolarHBondContact O-N 2.89Å; I198-L202 HydrophobicContact CG2-CD1 4.23Å; I198-L202 PolarHBondContact O-N 2.92Å
199	S	79.2	Confident	75.6	Confident	5 Å²	5	80.6 Å²	80.6	4%	0.035	43%	0.432	C	S	.	.	H	α-helix	trans	-63	-38.9	178.1	55.5	0	0	0	0	112.6	S84 L195 L196 F203	S84-S199 PolarHBondContact OG-O 3.39Å; L195-S199 PolarHBondContact O-N 3.42Å; L195-S199 PolarHBondContact O-OG 2.97Å; L196-S199 PolarHBondContact O-OG 2.94Å; S199-F203 PolarHBondContact O-N 3.02Å
200	C	78.9	Confident	75.8	Confident	87 Å²	87	82.1 Å²	82.1	59%	0.588	43%	0.432	S	S	*	.	H	α-helix	trans	-65.6	-40.4	177.3	-76.2	0	0	0	0	112.6	L196 I198 F203 A204	L196-C200 PolarHBondContact O-N 3.25Å; I198-C200 VanDerWaalsContact C-N 3.34Å; I198-C200 PolarHBondContact O-N 2.91Å; C200-F203 PolarHBondContact O-N 3.11Å; C200-A204 PolarHBondContact O-N 3.3Å; C200-A204 VanDerWaalsContact O-N 3.11Å
201	G	79.3	Confident	75.7	Confident	46 Å²	46	79.8 Å²	79.8	47%	0.474	42%	0.422	S	S	.	.	H	α-helix	trans	-63.6	-44.2	179	0	0	0	0	0	113.2	L197 I198 A204 F205	L197-G201 PolarHBondContact O-N 3.08Å; I198-G201 PolarHBondContact O-N 2.89Å; G201-A204 PolarHBondContact O-N 2.86Å; G201-F205 PolarHBondContact O-N 3.32Å
202	L	77.9	Confident	75.4	Confident	57 Å²	57	78.8 Å²	78.8	30%	0.298	42%	0.423	S	S	.	.	H	α-helix	trans	-65.6	-38.5	178.6	-74	167.3	0	0	0	112.4	A83 L87 I198 F205 S206	A83-L202 HydrophobicContact CB-CD1 4.36Å; L87-L202 HydrophobicContact CD1-CD1 4.43Å; I198-L202 HydrophobicContact CG2-CD1 4.23Å; I198-L202 PolarHBondContact O-N 2.92Å; L202-F205 PolarHBondContact O-N 2.89Å; L202-S206 PolarHBondContact O-N 2.88Å
203	F	77.2	Confident	74.7	Confident	118 Å²	118	82.4 Å²	82.4	52%	0.518	44%	0.439	S	S	.	.	H	α-helix	trans	-67	-44.1	178.3	-170.8	-100	0	0	0	112.2	S199 C200 F205 S206 M207	S199-F203 PolarHBondContact O-N 3.02Å; C200-F203 PolarHBondContact O-N 3.11Å; F203-F205 VanDerWaalsContact C-N 3.31Å; F203-F205 PolarHBondContact O-N 2.85Å; F203-S206 PolarHBondContact O-N 2.76Å; F203-M207 HydrophobicContact CD1-CG 4.23Å; F203-M207 HydrophobicContact CE1-CG 3.85Å; F203-M207 HydrophobicContact CZ-CG 4.07Å; F203-M207 HydrophobicContact CZ-SD 4.43Å; F203-M207 PolarHBondContact O-N 2.74Å
204	A	78.5	Confident	73.8	Confident	60 Å²	60	87.7 Å²	87.7	50%	0.496	45%	0.451	S	S	.	.	H	α-helix	trans	-61.5	-38.3	177.3	0	0	0	0	0	112.5	C200 G201 R208	C200-A204 PolarHBondContact O-N 3.3Å; C200-A204 VanDerWaalsContact O-N 3.11Å; G201-A204 PolarHBondContact O-N 2.86Å; A204-R208 WeakPolarHBondContact O-CB 3.46Å; A204-R208 PolarHBondContact O-N 2.82Å; A204-R208 VanDerWaalsContact O-N 3.12Å
205	F	76.5	Confident	72.7	Confident	126 Å²	126	90.9 Å²	90.9	55%	0.553	46%	0.459	S	S	*	.	H	α-helix	trans	-64.7	-44.8	176.3	-175.9	-98.1	0	0	0	112.4	G201 L202 F203 R209	G201-F205 PolarHBondContact O-N 3.32Å; L202-F205 PolarHBondContact O-N 2.89Å; F203-F205 VanDerWaalsContact C-N 3.31Å; F203-F205 PolarHBondContact O-N 2.85Å; F205-R209 PolarHBondContact O-N 3.34Å
206	S	76.3	Confident	71.4	Confident	11 Å²	11	94.5 Å²	94.5	8%	0.077	48%	0.479	C	S	.	.	H	α-helix	trans	-62.4	-45.5	178.3	-176.5	0	0	0	0	111.9	A77 L202 F203 R208 R209 M210	A77-S206 PolarHBondContact O-OG 2.74Å; L202-S206 PolarHBondContact O-N 2.88Å; F203-S206 PolarHBondContact O-N 2.76Å; S206-R208 PolarHBondContact O-N 2.96Å; S206-R209 PolarHBondContact O-N 2.94Å; S206-M210 PolarHBondContact O-N 3.48Å
207	M	75.2	Confident	70	Confident	72 Å²	72	96.7 Å²	96.7	36%	0.355	49%	0.49	S	S	.	.	H	α-helix	trans	-63.6	-43.7	179.4	-74.1	-67.6	-84.8	0	0	112.6	F203 R209 M210 F211	F203-M207 HydrophobicContact CD1-CG 4.23Å; F203-M207 HydrophobicContact CE1-CG 3.85Å; F203-M207 HydrophobicContact CZ-CG 4.07Å; F203-M207 HydrophobicContact CZ-SD 4.43Å; F203-M207 PolarHBondContact O-N 2.74Å; M207-R209 VanDerWaalsContact C-N 3.25Å; M207-R209 PolarHBondContact O-N 3.45Å; M207-M210 PolarHBondContact O-N 3.11Å; M207-M210 HydrophobicContact SD-CE 4.44Å; M207-F211 HydrophobicContact CE-CE2 3.76Å; M207-F211 VanDerWaalsContact O-CD2 3.31Å; M207-F211 WeakPolarHBondContact O-CD2 3.36Å; M207-F211 PolarHBondContact O-N 3.16Å; M207-F211 VanDerWaalsContact O-N 3.12Å
208	R	76.6	Confident	68.3	Low	214 Å²	214	92.3 Å²	92.3	81%	0.808	48%	0.478	S	S	*	.	H	α-helix	trans	-61.6	-34.4	-178.7	-163.2	173.4	-174.6	172	1.4	112.4	A204 S206 S212	A204-R208 WeakPolarHBondContact O-CB 3.46Å; A204-R208 PolarHBondContact O-N 2.82Å; A204-R208 VanDerWaalsContact O-N 3.12Å; S206-R208 PolarHBondContact O-N 2.96Å; R208-S212 PolarHBondContact O-N 3.35Å
209	R	69.5	Low	66.7	Low	105 Å²	105	95 Å²	95	40%	0.396	49%	0.486	S	S	.	.	H	α-helix	trans	-74.5	-41.7	179.2	-131.9	-177	-179.8	177.6	-2.3	112.4	F205 S206 M207 F211 S212 Q213	F205-R209 PolarHBondContact O-N 3.34Å; S206-R209 PolarHBondContact O-N 2.94Å; M207-R209 VanDerWaalsContact C-N 3.25Å; M207-R209 PolarHBondContact O-N 3.45Å; R209-F211 PolarHBondContact O-N 3.36Å; R209-S212 PolarHBondContact O-N 3.27Å; R209-Q213 PolarHBondContact O-N 3.35Å
210	M	69	Low	65	Low	105 Å²	105	98.3 Å²	98.3	52%	0.517	51%	0.513	S	S	.	.	H	α-helix	trans	-62.5	-38.7	175.3	-87.1	-153.9	-82.6	0	0	112.8	S206 M207	S206-M210 PolarHBondContact O-N 3.48Å; M207-M210 PolarHBondContact O-N 3.11Å; M207-M210 HydrophobicContact SD-CE 4.44Å
211	F	68.9	Low	63.3	Low	122 Å²	122	98.2 Å²	98.2	54%	0.535	52%	0.519	S	S	.	.	H	α-helix	trans	-70.1	-32.8	177.6	-85.4	-73.7	0	0	0	113.4	M207 R209 Q213 K214 I215	M207-F211 HydrophobicContact CE-CE2 3.76Å; M207-F211 VanDerWaalsContact O-CD2 3.31Å; M207-F211 WeakPolarHBondContact O-CD2 3.36Å; M207-F211 PolarHBondContact O-N 3.16Å; M207-F211 VanDerWaalsContact O-N 3.12Å; R209-F211 PolarHBondContact O-N 3.36Å; F211-Q213 VanDerWaalsContact C-N 3.33Å; F211-Q213 PolarHBondContact O-N 2.79Å; F211-K214 PolarHBondContact O-N 2.81Å; F211-I215 WeakPolarHBondContact O-CG1 3.41Å; F211-I215 PolarHBondContact O-N 2.92Å
212	S	64.2	Low	61.7	Low	72 Å²	72	103 Å²	103	50%	0.503	53%	0.534	S	S	.	.	H	α-helix	trans	-67.6	-31	179	-165.5	0	0	0	0	113.2	R208 R209	R208-S212 PolarHBondContact O-N 3.35Å; R209-S212 PolarHBondContact O-N 3.27Å
213	Q	56.3	Low	59.8	Low	89 Å²	89	104.5 Å²	104.5	42%	0.416	55%	0.549	S	S	.	.	H	α-helix	trans	-73.5	-36.9	176.8	-79.4	179.9	-17	0	0	112.5	D74 R209 F211 I215 N216 L217	D74-Q213 PolarHBondContact OD2-NE2 2.91Å; R209-Q213 PolarHBondContact O-N 3.35Å; F211-Q213 VanDerWaalsContact C-N 3.33Å; F211-Q213 PolarHBondContact O-N 2.79Å; Q213-I215 VanDerWaalsContact C-N 3.33Å; Q213-I215 PolarHBondContact O-N 3.34Å; Q213-N216 PolarHBondContact O-N 2.87Å; Q213-L217 PolarHBondContact O-N 3.46Å
214	K	54.2	Low	57.7	Low	165 Å²	165	102.7 Å²	102.7	72%	0.717	56%	0.563	S	S	*	*	H	α-helix	trans	-65.7	-31.2	177.6	-83.5	-173.6	173.9	-177.5	0	113.8	F211 N216 G218	F211-K214 PolarHBondContact O-N 2.81Å; K214-N216 VanDerWaalsContact C-N 3.34Å; K214-G218 PolarHBondContact O-N 3.17Å
215	I	55.1	Low	55.6	Low	102 Å²	102	107 Å²	107	52%	0.523	58%	0.576	S	S	.	*	H	α-helix	trans	-72.5	-28.4	-179.6	-65.7	168.1	0	0	0	111.9	F211 Q213	F211-I215 WeakPolarHBondContact O-CG1 3.41Å; F211-I215 PolarHBondContact O-N 2.92Å; Q213-I215 VanDerWaalsContact C-N 3.33Å; Q213-I215 PolarHBondContact O-N 3.34Å
216	N	49.8	Very low	53.6	Low	113 Å²	113	109.1 Å²	109.1	60%	0.604	59%	0.593	S	S	*	*	H	α-helix	trans	-81.3	-33.7	179	-74.5	-16	0	0	0	112.9	Q213 K214	Q213-N216 PolarHBondContact O-N 2.87Å; K214-N216 VanDerWaalsContact C-N 3.34Å
217	L	46.5	Very low	51.4	Low	129 Å²	129	111.8 Å²	111.8	68%	0.675	62%	0.622	S	S	*	*	H	α-helix	trans	-70.6	-31.9	174.1	-93.1	109.9	0	0	0	113.2	Q213 K219	Q213-L217 PolarHBondContact O-N 3.46Å; L217-K219 VanDerWaalsContact C-N 3.32Å; L217-K219 PolarHBondContact O-N 3.06Å
218	G	44.3	Very low	49.3	Very low	43 Å²	43	118.6 Å²	118.6	44%	0.443	65%	0.649	S	S	.	*	H	α-helix	trans	-72.3	-19	178.2	0	0	0	0	0	115.1	K214	K214-G218 PolarHBondContact O-N 3.17Å
219	K	47.6	Very low	47.2	Very low	154 Å²	154	113.1 Å²	113.1	67%	0.67	64%	0.644	S	S	*	*	H	α-helix	trans	-90	-22.7	178.2	-75.4	-178.6	177.4	178.7	0	113.7	L217	L217-K219 VanDerWaalsContact C-N 3.32Å; L217-K219 PolarHBondContact O-N 3.06Å
220	A	42.9	Very low	45.5	Very low	74 Å²	74	113.3 Å²	113.3	61%	0.612	66%	0.657	S	S	*	*	H	α-helix	trans	-81.4	-25	177.9	0	0	0	0	0	113.3	N222	A220-N222 VanDerWaalsContact C-N 3.32Å; A220-N222 PolarHBondContact O-N 3.27Å
221	A	43.3	Very low	43.8	Very low	85 Å²	85	115.1 Å²	115.1	70%	0.702	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-10.8	179.2	0	0	0	0	0	114.3
222	N	45.2	Very low	42.1	Very low	148 Å²	148	117.2 Å²	117.2	79%	0.791	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.6	7.1	-173.9	-85.3	-15.4	0	0	0	114.9	A220	A220-N222 VanDerWaalsContact C-N 3.32Å; A220-N222 PolarHBondContact O-N 3.27Å
223	S	39.2	Very low	40.8	Very low	88 Å²	88	118.7 Å²	118.7	62%	0.615	69%	0.692	S	S	*	*			trans	-117	87.6	176.5	59.6	0	0	0	0	111.2
224	G	31.8	Very low	39.5	Very low	79 Å²	79	124.5 Å²	124.5	81%	0.814	71%	0.71	S	S	*	*			trans	-79.3	125.2	176.9	0	0	0	0	0	112.9
225	I	34.8	Very low	38.6	Very low	151 Å²	151	126.8 Å²	126.8	77%	0.774	72%	0.715	S	S	*	*			trans	-148.4	134.7	170	-67.9	-172.8	0	0	0	109.9
226	L	34.6	Very low	37.4	Very low	171 Å²	171	129.9 Å²	129.9	90%	0.895	73%	0.727	S	S	*	*			trans	78.2	125.1	172.9	-93.9	96.1	0	0	0	117.7
227	G	30.2	Very low	36.8	Very low	67 Å²	67	132 Å²	132	69%	0.691	74%	0.739	S	S	*	*			cis	132.5	100.2	6.7	0	0	0	0	0	112.3
228	K	30.8	Very low	36.1	Very low	214 Å²	214	132.2 Å²	132.2	93%	0.93	74%	0.741	S	S	*	*			trans	42	127.9	152.8	-67.6	-178.7	175.7	-180	0	121.8
229	S	33.1	Very low	35.8	Very low	99 Å²	99	136.3 Å²	136.3	69%	0.692	76%	0.762	S	S	*	*				146.9	125.5	107	-162.8	0	0	0	0	114.7
230	T	33.9	Very low	35.1	Very low	110 Å²	110	138.5 Å²	138.5	68%	0.675	77%	0.772	S	S	*	*			trans	48.6	144.9	140.3	57.5	0	0	0	0	120.7
231	D	32.3	Very low	35.3	Very low	142 Å²	142	140.2 Å²	140.2	76%	0.759	78%	0.776	S	S	*	*			cis	-173.3	162.9	-2.4	-97.3	-31.7	0	0	0	106.2
232	I	35.2	Very low	34.9	Very low	166 Å²	166	142.2 Å²	142.2	85%	0.851	78%	0.783	S	S	*	*			trans	148.5	139.4	133.4	-72	163.3	0	0	0	112.6
233	P	35.3	Very low	34.3	Very low	103 Å²	103	144.5 Å²	144.5	67%	0.669	79%	0.785	S	S	*	*			trans	-124.7	-173.4	-152.5	35.7	-14.9	0	0	0	116.7
234	R	30.1	Very low	34	Very low	211 Å²	211	147.2 Å²	147.2	80%	0.796	80%	0.799	S	S	*	*			trans	90.9	143.7	166.9	-51.1	178.5	175.6	163.6	-2.3	115.4
235	Y	35.1	Very low	33.9	Very low	213 Å²	213	149.2 Å²	149.2	84%	0.835	80%	0.8	S	S	*	*			cis	-155.6	149.4	36.2	-121	-91.2	0	0	0	111.4
236	H	30.6	Very low	33.6	Very low	168 Å²	168	145.9 Å²	145.9	78%	0.778	80%	0.803	S	S	*	*			trans	-86.7	141.4	165	-109.5	-85.4	0	0	0	109.6
237	D	36.5	Very low	33.2	Very low	157 Å²	157	143.7 Å²	143.7	84%	0.84	80%	0.802	S	S	*	*			trans	-159.6	148.4	136	-144.2	-10.3	0	0	0	113.5
238	N	31	Very low	33.4	Very low	134 Å²	134	145.7 Å²	145.7	72%	0.717	81%	0.805	S	S	*	*			trans	-91.7	145.8	-174.2	-72.3	-53.8	0	0	0	112.3
239	S	37.6	Very low	33.2	Very low	129 Å²	129	144.9 Å²	144.9	90%	0.902	80%	0.802	S	S	*	*			trans	176.7	149.3	132.1	41.9	0	0	0	0	111.6
240	K	34.5	Very low	33.2	Very low	200 Å²	200	147.6 Å²	147.6	87%	0.87	81%	0.809	S	S	*	*			trans	-113.7	177.6	-167.8	-131.8	-174.5	-171.3	177.7	0	109.7
241	P	46.1	Very low	33	Very low	109 Å²	109	147.2 Å²	147.2	71%	0.708	81%	0.811	S	S	*	*				-104.5	-168.2	-118.1	40.5	-23	0	0	0	114.2
242	P	34.7	Very low	33.1	Very low	128 Å²	128	149.8 Å²	149.8	83%	0.831	82%	0.818	S	S	*	*				-151.7	177	95.1	36.1	-14.9	0	0	0	117
243	K	33.2	Very low	32.8	Very low	195 Å²	195	148.7 Å²	148.7	85%	0.848	81%	0.814	S	S	*	*			trans	-69.5	151.8	-177.2	-59.3	169.5	174.4	178.2	0	114.5
244	T	33.7	Very low	32.6	Very low	146 Å²	146	150.2 Å²	150.2	90%	0.896	82%	0.816	S	S	*	*			trans	-167.7	155.5	132.2	39.6	0	0	0	0	112.5
245	S	28.2	Very low	32.5	Very low	121 Å²	121	151 Å²	151	85%	0.846	82%	0.819	S	S	*	*			trans	-62.1	154	-172.9	49.5	0	0	0	0	118.2
246	G	30.1	Very low	32.2	Very low	81 Å²	81	151.5 Å²	151.5	84%	0.835	83%	0.826	S	S	*	*			trans	176.5	118.2	161.4	0	0	0	0	0	113.7
247	S	26.3	Very low	32	Very low	124 Å²	124	147.7 Å²	147.7	87%	0.867	82%	0.818	S	S	*	*			trans	-74.7	143.4	179	50	0	0	0	0	114.1
248	S	32.6	Very low	31.6	Very low	109 Å²	109	150.2 Å²	150.2	76%	0.762	82%	0.822	S	S	*	*			trans	-153.5	124.6	150.8	56.5	0	0	0	0	111.3
249	F	27.6	Very low	31.5	Very low	197 Å²	197	154.1 Å²	154.1	86%	0.864	83%	0.827	S	S	*	*			trans	-50.9	139.7	161.5	-103.9	-117	0	0	0	111.1
250	D	32.3	Very low	31.2	Very low	156 Å²	156	151.7 Å²	151.7	83%	0.834	81%	0.808	S	S	*	*			trans	-132.7	110.7	152.4	-87.5	-36.1	0	0	0	109
251	S	29.6	Very low	31.5	Very low	102 Å²	102	147.8 Å²	147.8	71%	0.713	80%	0.803	S	S	*	*			trans	-90.2	118.2	163.9	68.4	0	0	0	0	108.3
252	E	35.1	Very low	31.1	Very low	196 Å²	196	149.1 Å²	149.1	92%	0.916	80%	0.798	S	S	*	*			trans	-106.7	96.5	165.2	-79.9	-166.6	152.1	0	0	110.2
253	N	28.6	Very low	31.2	Very low	143 Å²	143	150.1 Å²	150.1	77%	0.765	79%	0.792	S	S	*	*			trans	-74.3	154.8	148.9	-96.4	-24.4	0	0	0	109.4
254	N	30.3	Very low	31	Very low	135 Å²	135	150.3 Å²	150.3	72%	0.722	79%	0.787	S	S	*	*			trans	85.5	98.6	160.2	-62.3	-25	0	0	0	118.8
255	R	29.2	Very low	31.3	Very low	227 Å²	227	146.5 Å²	146.5	86%	0.857	76%	0.761	S	S	*	*				168.9	141.3	95.5	-103.6	166.4	-92.3	-162.9	-7.3	111.3	S257	R255-S257 PolarHBondContact O-N 3.47Å
256	F	27.9	Very low	32	Very low	225 Å²	225	145.7 Å²	145.7	99%	0.987	75%	0.753	S	S	*	*			trans	-35.7	102.2	167.8	-84.7	-96.3	0	0	0	112.8
257	S	27	Very low	32.6	Very low	87 Å²	87	148.1 Å²	148.1	61%	0.608	75%	0.751	S	S	*	*			trans	-143.4	120.5	151.2	59.4	0	0	0	0	106.6	R255 R259	R255-S257 PolarHBondContact O-N 3.47Å; S257-R259 VanDerWaalsContact C-N 3.3Å; S257-R259 PolarHBondContact O-N 3.4Å
258	F	28	Very low	33.5	Very low	210 Å²	210	146.1 Å²	146.1	92%	0.921	73%	0.734	S	S	*	*			trans	-66	92.7	178	-152	-89.9	0	0	0	107.5
259	R	29.8	Very low	34	Very low	217 Å²	217	143.8 Å²	143.8	82%	0.819	73%	0.727	S	S	*	*			trans	-104.6	110.5	166.7	-77.3	-172.7	169.9	-176.7	-1.6	107	S257	S257-R259 VanDerWaalsContact C-N 3.3Å; S257-R259 PolarHBondContact O-N 3.4Å
260	P	30.7	Very low	35.1	Very low	78 Å²	78	137.5 Å²	137.5	51%	0.506	70%	0.702	S	S	.	*			trans	-58.2	143.1	173.8	4.2	-0.1	0	0	0	109	F262	P260-F262 HydrophobicContact CB-CB 4.3Å; P260-F262 HydrophobicContact CB-CD2 3.5Å; P260-F262 HydrophobicContact CB-CE2 4.29Å; P260-F262 HydrophobicContact CB-CG 4.33Å; P260-F262 PolarHBondContact O-N 3.07Å
261	P	39.7	Very low	36.2	Very low	118 Å²	118	133.3 Å²	133.3	77%	0.766	68%	0.682	S	S	*	*	S	Bend	trans	-73.3	27.1	175.2	33.7	-36.3	0	0	0	112.1
262	F	38.5	Very low	37.8	Very low	137 Å²	137	132.9 Å²	132.9	60%	0.601	68%	0.675	S	S	*	*			trans	-120.7	112.4	-167.5	-54	-65.2	0	0	0	110	P260 W264	P260-F262 HydrophobicContact CB-CB 4.3Å; P260-F262 HydrophobicContact CB-CD2 3.5Å; P260-F262 HydrophobicContact CB-CE2 4.29Å; P260-F262 HydrophobicContact CB-CG 4.33Å; P260-F262 PolarHBondContact O-N 3.07Å; F262-W264 PolarHBondContact O-N 2.72Å
263	H	36.2	Very low	39.7	Very low	149 Å²	149	125.4 Å²	125.4	69%	0.69	64%	0.641	S	S	*	*			trans	-81.4	99.2	153.9	-169	56.5	0	0	0	106.6	D265	H263-D265 PolarHBondContact O-N 3.06Å
264	W	29.5	Very low	42.2	Very low	199 Å²	199	127.3 Å²	127.3	75%	0.754	64%	0.638	S	S	*	*			trans	-72.9	114.6	175.6	-176.4	-59.8	0	0	0	108.2	F262 P266	F262-W264 PolarHBondContact O-N 2.72Å; W264-P266 VanDerWaalsContact O-CD 3.26Å; W264-P266 WeakPolarHBondContact O-CD 3.26Å
265	D	41.2	Very low	44.6	Very low	66 Å²	66	123.5 Å²	123.5	35%	0.353	62%	0.62	S	S	.	*			trans	-82.4	108.8	167.4	-114	-29.8	0	0	0	108.7	H263 V267 G269	H263-D265 PolarHBondContact O-N 3.06Å; D265-V267 PolarHBondContact O-N 3.36Å; D265-V267 VanDerWaalsContact O-N 3.1Å; D265-G269 PolarHBondContact O-N 2.85Å; D265-G269 VanDerWaalsContact O-N 3.14Å
266	P	42.7	Very low	47.1	Very low	104 Å²	104	115.8 Å²	115.8	68%	0.675	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-8.3	-170.5	27.8	-33.6	0	0	0	113.6	W264	W264-P266 VanDerWaalsContact O-CD 3.26Å; W264-P266 WeakPolarHBondContact O-CD 3.26Å
267	V	41.6	Very low	49.3	Very low	131 Å²	131	111.7 Å²	111.7	79%	0.794	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-29.2	-175.2	-176.4	0	0	0	0	112.4	D265	D265-V267 PolarHBondContact O-N 3.36Å; D265-V267 VanDerWaalsContact O-N 3.1Å
268	T	46.1	Very low	51.4	Low	82 Å²	82	108.7 Å²	108.7	50%	0.503	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-122.4	-21.2	-174.7	57	0	0	0	0	114	I270	T268-I270 WeakPolarHBondContact O-CG1 2.9Å; T268-I270 PolarHBondContact O-N 2.87Å; T268-I270 VanDerWaalsContact O-N 3.16Å; T268-I270 PolarHBondContact OG1-N 2.93Å
269	G	43.3	Very low	54	Low	61 Å²	61	104.8 Å²	104.8	63%	0.629	57%	0.565	S	S	*	*			trans	62.4	13.7	-169.8	0	0	0	0	0	113.2	D265	D265-G269 PolarHBondContact O-N 2.85Å; D265-G269 VanDerWaalsContact O-N 3.14Å
270	I	49.7	Very low	56.8	Low	64 Å²	64	96 Å²	96	33%	0.328	54%	0.536	S	S	.	.			trans	-106.5	117.9	-174.4	-68.8	167.5	0	0	0	108.3	T268	T268-I270 WeakPolarHBondContact O-CG1 2.9Å; T268-I270 PolarHBondContact O-N 2.87Å; T268-I270 VanDerWaalsContact O-N 3.16Å; T268-I270 PolarHBondContact OG1-N 2.93Å
271	T	55	Low	59.6	Low	69 Å²	69	96.7 Å²	96.7	42%	0.423	53%	0.531	S	S	.	.			trans	-72.1	125.4	172.6	47.9	0	0	0	0	110.1	I273	T271-I273 PolarHBondContact O-N 3.3Å
272	T	63.7	Low	62	Low	92 Å²	92	92.2 Å²	92.2	56%	0.564	50%	0.499	S	S	*	.			trans	-68.2	115.4	169	46.4	0	0	0	0	109.5	R274	T272-R274 PolarHBondContact O-N 3.42Å
273	I	75.7	Confident	64.3	Low	40 Å²	40	93 Å²	93	21%	0.205	50%	0.502	C	S	.	.			trans	-72.3	117.2	176.9	-62.6	171.4	0	0	0	107.8	T271 F345 M347 Q366 L367 A370	T271-I273 PolarHBondContact O-N 3.3Å; I273-F345 HydrophobicContact CG2-CD1 3.79Å; I273-F345 HydrophobicContact CG2-CE1 4.27Å; I273-M347 HydrophobicContact CD1-SD 4.2Å; I273-Q366 HydrophobicContact CD1-CB 3.95Å; I273-L367 HydrophobicContact CD1-CB 3.87Å; I273-L367 HydrophobicContact CD1-CD1 4.41Å; I273-L367 HydrophobicContact CG2-CD1 4Å; I273-A370 HydrophobicContact CB-CB 4.39Å
274	R	79.8	Confident	66.8	Low	182 Å²	182	89.5 Å²	89.5	69%	0.687	49%	0.488	S	S	*	.			trans	-107.3	149.2	179.2	-66.4	-174.7	-176.7	-168.6	-0.3	111	T272	T272-R274 PolarHBondContact O-N 3.42Å
275	P	81.7	Confident	69.7	Low	55 Å²	55	80.7 Å²	80.7	36%	0.357	46%	0.456	S	S	.	.			trans	-64.3	139.1	173.1	28	-34.1	0	0	0	110.3	P343 F345	P275-P343 HydrophobicContact CB-CB 3.99Å; P275-F345 HydrophobicContact CB-CE1 4.16Å; P275-F345 HydrophobicContact CB-CZ 4.12Å
276	T	80	Confident	72	Confident	65 Å²	65	78.3 Å²	78.3	40%	0.399	45%	0.446	S	S	.	.	B	Isolated β-bridge	trans	-88.5	122.5	174.9	-57.5	0	0	0	0	108.9	S278 F344	T276-S278 PolarHBondContact O-N 2.95Å; T276-F344 PolarHBondContact N-O 3.29Å
277	T	75.1	Confident	74.3	Confident	139 Å²	139	73.4 Å²	73.4	85%	0.853	41%	0.414	S	S	*	.			trans	-81.4	113	172.5	51	0	0	0	0	109.8
278	S	70.2	Confident	76.6	Confident	24 Å²	24	67.9 Å²	67.9	17%	0.168	38%	0.38	C	S	.	.			trans	-95.4	139.2	169.7	60.7	0	0	0	0	110.3	T276 K334 N338	T276-S278 PolarHBondContact O-N 2.95Å; S278-K334 PolarHBondContact OG-O 2.89Å; S278-N338 PolarHBondContact O-ND2 2.67Å
279	T	83.5	Confident	78.7	Confident	128 Å²	128	68 Å²	68	79%	0.785	38%	0.375	S	S	*	.			trans	-95.8	-3.5	172.3	48.9	0	0	0	0	113.2
280	V	88.5	Confident	80.9	Confident	34 Å²	34	68.1 Å²	68.1	21%	0.206	37%	0.37	C	S	.	.			trans	-76.8	130	-174.1	-174.7	0	0	0	0	110.1	D284 V285 A335 N338	V280-D284 HydrophobicContact CG1-CB 4.08Å; V280-V285 HydrophobicContact CG1-CG2 4.41Å; V280-A335 HydrophobicContact CG1-CB 4.24Å; V280-A335 WeakPolarHBondContact O-CA 3.32Å; V280-N338 WeakPolarHBondContact O-CB 3.49Å
281	K	89.4	Confident	83	Confident	92 Å²	92	65.6 Å²	65.6	40%	0.4	36%	0.358	S	S	.	.			trans	-110.9	169.4	175.3	-67.6	-172.6	178.7	-166.4	0	111.3	K283 D284	K281-K283 HydrophobicContact CB-CD 4.44Å; K281-K283 HydrophobicContact CB-CG 3.84Å; K281-K283 PolarHBondContact O-N 3.42Å; K281-D284 PolarHBondContact N-OD2 3.48Å; K281-D284 WeakPolarHBondContact O-CB 3.47Å; K281-D284 PolarHBondContact O-N 2.94Å
282	F	89.7	Confident	84.7	Confident	23 Å²	23	63.9 Å²	63.9	10%	0.101	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-63.5	-25.5	178.3	-80.1	-39.6	0	0	0	113.5	D284 V285 V295 M296 V299 L332 A335 L336 E339	F282-D284 PolarHBondContact O-N 3.29Å; F282-V285 PolarHBondContact O-N 2.95Å; F282-V285 VanDerWaalsContact O-O 3.08Å; F282-V295 HydrophobicContact CE1-CG1 4.24Å; F282-V295 HydrophobicContact CZ-CG1 3.96Å; F282-M296 HydrophobicContact CD2-SD 3.74Å; F282-M296 HydrophobicContact CE2-CG 4.25Å; F282-M296 HydrophobicContact CE2-SD 3.3Å; F282-M296 WeakPolarHBondContact CE2-SD 3.46Å; F282-M296 HydrophobicContact CZ-SD 4.26Å; F282-V299 HydrophobicContact CE2-CG2 4.05Å; F282-V299 HydrophobicContact CZ-CG2 4.23Å; F282-L332 HydrophobicContact CD1-CD1 4.48Å; F282-L332 HydrophobicContact CE1-CD1 4.01Å; F282-A335 HydrophobicContact CD1-CB 3.53Å; F282-A335 HydrophobicContact CE1-CB 3.81Å; F282-A335 HydrophobicContact CG-CB 4.38Å; F282-L336 HydrophobicContact CE1-CB 4.21Å; F282-L336 VanDerWaalsContact CZ-CA 3.49Å; F282-L336 HydrophobicContact CZ-CB 3.84Å; F282-E339 HydrophobicContact CB-CG 4.28Å; F282-E339 HydrophobicContact CD2-CB 3.92Å; F282-E339 HydrophobicContact CD2-CG 3.35Å; F282-E339 HydrophobicContact CE2-CB 3.72Å; F282-E339 HydrophobicContact CE2-CG 3.67Å; F282-E339 HydrophobicContact CG-CG 3.83Å; F282-E339 HydrophobicContact CZ-CB 4.47Å; F282-E339 HydrophobicContact CZ-CG 4.42Å; F282-E339 PolarHBondContact N-OE1 3.11Å
283	K	88.3	Confident	86.1	Confident	154 Å²	154	66.5 Å²	66.5	67%	0.67	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-62.7	-25.4	172.8	66.9	174.2	-168.6	168.1	0	113.4	K281	K281-K283 HydrophobicContact CB-CD 4.44Å; K281-K283 HydrophobicContact CB-CG 3.84Å; K281-K283 PolarHBondContact O-N 3.42Å
284	D	87.8	Confident	86.8	Confident	75 Å²	75	68.8 Å²	68.8	40%	0.401	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-88.5	-14.4	-178	-52.5	-41.6	0	0	0	111.4	V280 K281 F282	V280-D284 HydrophobicContact CG1-CB 4.08Å; K281-D284 PolarHBondContact N-OD2 3.48Å; K281-D284 WeakPolarHBondContact O-CB 3.47Å; K281-D284 PolarHBondContact O-N 2.94Å; F282-D284 PolarHBondContact O-N 3.29Å
285	V	90.2	Very high	87.3	Confident	14 Å²	14	60.2 Å²	60.2	9%	0.085	33%	0.328	C	S	.	.	S	Bend	trans	-90.8	111.2	172.3	-177.3	0	0	0	0	107.3	V280 F282 L288 K292 A335	V280-V285 HydrophobicContact CG1-CG2 4.41Å; F282-V285 PolarHBondContact O-N 2.95Å; F282-V285 VanDerWaalsContact O-O 3.08Å; V285-L288 HydrophobicContact CG1-CD1 4.25Å; V285-K292 VanDerWaalsContact O-CE 3.3Å; V285-K292 WeakPolarHBondContact O-CE 3.49Å; V285-K292 PolarHBondContact O-NZ 2.98Å; V285-A335 HydrophobicContact CG2-CB 3.76Å
286	A	89.9	Confident	87.8	Confident	17 Å²	17	61.7 Å²	61.7	14%	0.14	33%	0.331	C	S	.	.			trans	-83.8	150	175.5	0	0	0	0	0	112	E462 I463 V466	A286-E462 HydrophobicContact CB-CB 4.01Å; A286-I463 HydrophobicContact CB-CB 4.23Å; A286-I463 HydrophobicContact CB-CG1 3.66Å; A286-V466 HydrophobicContact CB-CB 4.42Å; A286-V466 HydrophobicContact CB-CG2 3.87Å
287	G	90.3	Very high	88.2	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.336	C	S	.	.	S	Bend	trans	64	-148.7	-179.2	0	0	0	0	0	113.8	H289 K292 E462	G287-H289 VanDerWaalsContact C-N 3.26Å; G287-H289 PolarHBondContact O-N 3.35Å; G287-K292 WeakPolarHBondContact O-CE 3.46Å; G287-K292 PolarHBondContact O-NZ 3.47Å; G287-E462 WeakPolarHBondContact CA-OE2 3.35Å; G287-E462 PolarHBondContact N-OE2 3.42Å
288	L	90.4	Very high	88.9	Confident	16 Å²	16	57.6 Å²	57.6	8%	0.084	30%	0.298	C	S	.	.			trans	55.3	38.4	179.9	-59.5	-178.6	0	0	0	112.9	V285 A290 C291 K292 I452 E459	V285-L288 HydrophobicContact CG1-CD1 4.25Å; L288-A290 VanDerWaalsContact C-N 3.34Å; L288-A290 PolarHBondContact O-N 3.48Å; L288-C291 HydrophobicContact CB-CB 4.32Å; L288-C291 PolarHBondContact O-N 3.13Å; L288-K292 WeakPolarHBondContact O-CB 3.31Å; L288-K292 VanDerWaalsContact O-CG 3.32Å; L288-K292 WeakPolarHBondContact O-CG 3.34Å; L288-K292 PolarHBondContact O-N 3.13Å; L288-I452 HydrophobicContact CD1-CG2 4.26Å; L288-I452 HydrophobicContact CD2-CG2 3.54Å; L288-E459 WeakPolarHBondContact CA-OE1 3.45Å; L288-E459 PolarHBondContact N-OE1 3.07Å
289	H	90.9	Very high	89.8	Confident	84 Å²	84	56.7 Å²	56.7	39%	0.389	29%	0.291	S	S	.	.	H	α-helix	trans	-59.9	-44.5	-170.8	-65.3	-61.1	0	0	0	112.2	G287 Q293 E459 E462	G287-H289 VanDerWaalsContact C-N 3.26Å; G287-H289 PolarHBondContact O-N 3.35Å; H289-Q293 WeakPolarHBondContact O-CG 3.49Å; H289-Q293 PolarHBondContact O-N 3.28Å; H289-Q293 VanDerWaalsContact O-N 3.16Å; H289-E459 PolarHBondContact N-OE1 3.25Å; H289-E462 IonicContact CD2-OE1 2.9Å; H289-E462 IonicContact CE1-OE1 3.91Å; H289-E462 PolarHBondContact CE1-OE1 2.88Å; H289-E462 IonicContact CE1-OE2 3.63Å; H289-E462 PolarHBondContact CE1-OE2 3.41Å; H289-E462 VanDerWaalsContact CE1-OE2 3.25Å; H289-E462 VanDerWaalsContact NE2-CD 3.31Å; H289-E462 IonicContact NE2-OE1 2.74Å; H289-E462 PolarHBondContact NE2-OE1 2.89Å; H289-E462 IonicContact NE2-OE2 3.82Å; H289-E462 PolarHBondContact NE2-OE2 2.86Å; H289-E462 VanDerWaalsContact NE2-OE2 3.13Å
290	A	90	Very high	90.1	Very high	63 Å²	63	52.5 Å²	52.5	52%	0.521	27%	0.267	S	S	.	.	H	α-helix	trans	-64.9	-49.5	176.8	0	0	0	0	0	111.7	L288 K292 Q293 E294	L288-A290 VanDerWaalsContact C-N 3.34Å; L288-A290 PolarHBondContact O-N 3.48Å; A290-K292 VanDerWaalsContact C-N 3.32Å; A290-K292 PolarHBondContact O-N 3.45Å; A290-Q293 WeakPolarHBondContact O-CB 3.47Å; A290-Q293 PolarHBondContact O-N 3.2Å; A290-Q293 VanDerWaalsContact O-N 3.11Å; A290-E294 PolarHBondContact O-N 3.24Å
291	C	92.1	Very high	90	Very high	11 Å²	11	51.3 Å²	51.3	7%	0.074	26%	0.259	C	S	.	.	H	α-helix	trans	-63.7	-37.7	-179.7	-49.8	0	0	0	0	111.8	L288 Q293 E294 V295 L332 I450 F451	L288-C291 HydrophobicContact CB-CB 4.32Å; L288-C291 PolarHBondContact O-N 3.13Å; C291-Q293 VanDerWaalsContact C-N 3.33Å; C291-Q293 PolarHBondContact O-N 2.92Å; C291-E294 PolarHBondContact O-N 3.43Å; C291-V295 VanDerWaalsContact O-CB 3.22Å; C291-V295 WeakPolarHBondContact O-CB 3.31Å; C291-V295 WeakPolarHBondContact O-CG2 3.37Å; C291-V295 PolarHBondContact O-N 3.46Å; C291-L332 HydrophobicContact CB-CD2 4.19Å; C291-I450 HydrophobicContact CB-CG2 4.1Å; C291-F451 PolarHBondContact SG-O 3.4Å; C291-F451 VanDerWaalsContact SG-O 3.35Å
292	K	92.2	Very high	89.8	Confident	34 Å²	34	47.7 Å²	47.7	15%	0.148	24%	0.244	C	C	.	.	H	α-helix	trans	-61.1	-41.1	174	-77.4	174.9	-178.3	163.4	0	111.5	V285 G287 L288 A290 V295 M296 L332	V285-K292 VanDerWaalsContact O-CE 3.3Å; V285-K292 WeakPolarHBondContact O-CE 3.49Å; V285-K292 PolarHBondContact O-NZ 2.98Å; G287-K292 WeakPolarHBondContact O-CE 3.46Å; G287-K292 PolarHBondContact O-NZ 3.47Å; L288-K292 WeakPolarHBondContact O-CB 3.31Å; L288-K292 VanDerWaalsContact O-CG 3.32Å; L288-K292 WeakPolarHBondContact O-CG 3.34Å; L288-K292 PolarHBondContact O-N 3.13Å; A290-K292 VanDerWaalsContact C-N 3.32Å; A290-K292 PolarHBondContact O-N 3.45Å; K292-V295 PolarHBondContact O-N 3.08Å; K292-M296 VanDerWaalsContact O-CB 3.29Å; K292-M296 WeakPolarHBondContact O-CB 3.41Å; K292-M296 WeakPolarHBondContact O-CG 3.41Å; K292-M296 PolarHBondContact O-N 2.83Å; K292-L332 HydrophobicContact CG-CD1 3.88Å
293	Q	91.6	Very high	89.7	Confident	146 Å²	146	51.4 Å²	51.4	68%	0.682	26%	0.26	S	S	*	.	H	α-helix	trans	-61.8	-44.7	177.2	-73.3	176.5	2	0	0	111.8	H289 A290 C291 M296	H289-Q293 WeakPolarHBondContact O-CG 3.49Å; H289-Q293 PolarHBondContact O-N 3.28Å; H289-Q293 VanDerWaalsContact O-N 3.16Å; A290-Q293 WeakPolarHBondContact O-CB 3.47Å; A290-Q293 PolarHBondContact O-N 3.2Å; A290-Q293 VanDerWaalsContact O-N 3.11Å; C291-Q293 VanDerWaalsContact C-N 3.33Å; C291-Q293 PolarHBondContact O-N 2.92Å; Q293-M296 PolarHBondContact O-N 3.45Å
294	E	91.3	Very high	89.7	Confident	89 Å²	89	49 Å²	49	42%	0.416	25%	0.254	S	S	.	.	H	α-helix	trans	-63.2	-42.7	175.5	-67.3	-174.5	-157.9	0	0	112	A290 C291 M296 E297 I450	A290-E294 PolarHBondContact O-N 3.24Å; C291-E294 PolarHBondContact O-N 3.43Å; E294-M296 VanDerWaalsContact C-N 3.33Å; E294-M296 PolarHBondContact O-N 3Å; E294-E297 WeakPolarHBondContact O-CB 3.27Å; E294-E297 PolarHBondContact O-N 3.23Å; E294-I450 HydrophobicContact CB-CD1 4.49Å
295	V	91.2	Very high	89.6	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.012	25%	0.249	C	C	.	.	H	α-helix	trans	-68.7	-31.4	179.4	166.3	0	0	0	0	111.6	F282 C291 K292 E297 F298 L332 L336 I450	F282-V295 HydrophobicContact CE1-CG1 4.24Å; F282-V295 HydrophobicContact CZ-CG1 3.96Å; C291-V295 VanDerWaalsContact O-CB 3.22Å; C291-V295 WeakPolarHBondContact O-CB 3.31Å; C291-V295 WeakPolarHBondContact O-CG2 3.37Å; C291-V295 PolarHBondContact O-N 3.46Å; K292-V295 PolarHBondContact O-N 3.08Å; V295-E297 PolarHBondContact O-N 3.22Å; V295-F298 WeakPolarHBondContact O-CB 3.4Å; V295-F298 PolarHBondContact O-N 3.44Å; V295-F298 VanDerWaalsContact O-N 3.16Å; V295-L332 HydrophobicContact CG1-CD1 4.34Å; V295-L332 HydrophobicContact CG1-CG 4.25Å; V295-L332 HydrophobicContact CG2-CD2 3.89Å; V295-L332 HydrophobicContact CG2-CG 4.29Å; V295-L336 HydrophobicContact CB-CD1 4.3Å; V295-L336 HydrophobicContact CG1-CB 3.84Å; V295-L336 HydrophobicContact CG1-CD1 3.22Å; V295-L336 HydrophobicContact CG1-CG 3.98Å; V295-L336 WeakPolarHBondContact O-CD1 3.24Å; V295-I450 HydrophobicContact CG2-CD1 3.67Å
296	M	90.4	Very high	89.4	Confident	86 Å²	86	54.3 Å²	54.3	42%	0.424	28%	0.28	S	S	.	.	H	α-helix	trans	-64.1	-24.7	176.3	-81.2	-68	-66.7	0	0	113.2	F282 K292 Q293 E294 F298 V299 S300	F282-M296 HydrophobicContact CD2-SD 3.74Å; F282-M296 HydrophobicContact CE2-CG 4.25Å; F282-M296 HydrophobicContact CE2-SD 3.3Å; F282-M296 WeakPolarHBondContact CE2-SD 3.46Å; F282-M296 HydrophobicContact CZ-SD 4.26Å; K292-M296 VanDerWaalsContact O-CB 3.29Å; K292-M296 WeakPolarHBondContact O-CB 3.41Å; K292-M296 WeakPolarHBondContact O-CG 3.41Å; K292-M296 PolarHBondContact O-N 2.83Å; Q293-M296 PolarHBondContact O-N 3.45Å; E294-M296 VanDerWaalsContact C-N 3.33Å; E294-M296 PolarHBondContact O-N 3Å; M296-F298 VanDerWaalsContact C-N 3.29Å; M296-F298 PolarHBondContact O-N 2.97Å; M296-V299 PolarHBondContact O-N 3.04Å; M296-V299 HydrophobicContact SD-CB 4.44Å; M296-V299 HydrophobicContact SD-CG2 4.35Å; M296-S300 PolarHBondContact O-N 2.94Å
297	E	88.9	Confident	89.3	Confident	106 Å²	106	60 Å²	60	50%	0.495	30%	0.301	S	S	.	.	H	α-helix	trans	-58.9	-43.7	173.1	-63.1	-172.6	175.6	0	0	110.9	E294 V295 V299 S300 Y301	E294-E297 WeakPolarHBondContact O-CB 3.27Å; E294-E297 PolarHBondContact O-N 3.23Å; V295-E297 PolarHBondContact O-N 3.22Å; E297-V299 PolarHBondContact O-N 3.19Å; E297-S300 PolarHBondContact O-N 3.43Å; E297-S300 PolarHBondContact O-OG 3.25Å; E297-Y301 PolarHBondContact O-N 3.13Å
298	F	90.3	Very high	89.2	Confident	12 Å²	12	62.5 Å²	62.5	5%	0.053	31%	0.311	C	S	.	.	H	α-helix	trans	-64.9	-38.6	177.6	-60.9	-92.4	0	0	0	112.1	V295 M296 Y301 L302 P316 A319 L336 I425 F427 R448 I450	V295-F298 WeakPolarHBondContact O-CB 3.4Å; V295-F298 PolarHBondContact O-N 3.44Å; V295-F298 VanDerWaalsContact O-N 3.16Å; M296-F298 VanDerWaalsContact C-N 3.29Å; M296-F298 PolarHBondContact O-N 2.97Å; F298-Y301 WeakPolarHBondContact O-CB 3.49Å; F298-Y301 PolarHBondContact O-N 2.92Å; F298-L302 WeakPolarHBondContact O-CG 3.49Å; F298-L302 PolarHBondContact O-N 2.87Å; F298-P316 HydrophobicContact CD1-CG 4.21Å; F298-P316 HydrophobicContact CE1-CB 4.16Å; F298-P316 HydrophobicContact CE1-CG 3.42Å; F298-P316 VanDerWaalsContact CE1-CG 3.42Å; F298-P316 HydrophobicContact CZ-CG 3.93Å; F298-A319 HydrophobicContact CE1-CB 4.15Å; F298-A319 HydrophobicContact CE2-CB 4.36Å; F298-A319 HydrophobicContact CZ-CB 3.65Å; F298-L336 HydrophobicContact CB-CD1 3.89Å; F298-I425 HydrophobicContact CB-CD1 4.32Å; F298-I425 HydrophobicContact CD1-CD1 3.99Å; F298-I425 HydrophobicContact CD1-CG2 4.01Å; F298-I425 HydrophobicContact CE1-CG2 4.21Å; F298-F427 HydrophobicContact CB-CZ 4.36Å; F298-F427 HydrophobicContact CD1-CZ 4.09Å; F298-F427 HydrophobicContact CD2-CZ 4.17Å; F298-F427 HydrophobicContact CE1-CZ 4.35Å; F298-F427 HydrophobicContact CE2-CZ 4.47Å; F298-F427 AromaticContact CG-CZ 3.96Å; F298-F427 HydrophobicContact CG-CZ 3.96Å; F298-R448 HydrophobicContact CZ-CB 4.12Å; F298-R448 HydrophobicContact CZ-CG 3.97Å; F298-I450 HydrophobicContact CE2-CD1 4.2Å
299	V	89.3	Confident	88.8	Confident	5 Å²	5	66.3 Å²	66.3	3%	0.03	33%	0.329	C	S	.	.	H	α-helix	trans	-61.8	-47.3	174.5	177.7	0	0	0	0	110.6	F282 M296 E297 Y301 L302 K303 L336 E339 A340	F282-V299 HydrophobicContact CE2-CG2 4.05Å; F282-V299 HydrophobicContact CZ-CG2 4.23Å; M296-V299 PolarHBondContact O-N 3.04Å; M296-V299 HydrophobicContact SD-CB 4.44Å; M296-V299 HydrophobicContact SD-CG2 4.35Å; E297-V299 PolarHBondContact O-N 3.19Å; V299-Y301 PolarHBondContact O-N 3.41Å; V299-L302 PolarHBondContact O-N 3.17Å; V299-K303 HydrophobicContact CG1-CD 4.31Å; V299-K303 WeakPolarHBondContact O-CG 3.07Å; V299-K303 PolarHBondContact O-N 3.02Å; V299-L336 HydrophobicContact CG2-CB 4.47Å; V299-L336 HydrophobicContact CG2-CD1 4.3Å; V299-L336 HydrophobicContact CG2-CG 3.71Å; V299-E339 HydrophobicContact CG1-CB 4.44Å; V299-E339 HydrophobicContact CG2-CB 4.43Å; V299-A340 HydrophobicContact CG1-CB 4.29Å; V299-A340 HydrophobicContact CG2-CB 4.48Å
300	S	88.5	Confident	88.7	Confident	40 Å²	40	66.7 Å²	66.7	28%	0.28	35%	0.346	S	S	.	.	H	α-helix	trans	-62.9	-33.4	-179.5	76.6	0	0	0	0	112.1	M296 E297 N304 Y308	M296-S300 PolarHBondContact O-N 2.94Å; E297-S300 PolarHBondContact O-N 3.43Å; E297-S300 PolarHBondContact O-OG 3.25Å; S300-N304 PolarHBondContact O-N 2.77Å; S300-Y308 PolarHBondContact OG-OH 3.35Å
301	Y	86.4	Confident	88.7	Confident	9 Å²	9	70.1 Å²	70.1	4%	0.035	36%	0.355	C	S	.	.	H	α-helix	trans	-68.4	-52.4	173.5	169.7	-115.7	0	0	0	112.4	E297 F298 V299 K303 N304 P305 Y308 L315 T420 I425	E297-Y301 PolarHBondContact O-N 3.13Å; F298-Y301 WeakPolarHBondContact O-CB 3.49Å; F298-Y301 PolarHBondContact O-N 2.92Å; V299-Y301 PolarHBondContact O-N 3.41Å; Y301-K303 PolarHBondContact O-N 3.13Å; Y301-N304 CarbonylContact O-C 3.29Å; Y301-N304 VanDerWaalsContact O-C 3.29Å; Y301-N304 PolarHBondContact O-N 3.45Å; Y301-N304 VanDerWaalsContact O-N 3.11Å; Y301-P305 HydrophobicContact CD2-CB 4.13Å; Y301-P305 HydrophobicContact CE2-CB 3.66Å; Y301-P305 WeakPolarHBondContact O-CA 3.48Å; Y301-P305 VanDerWaalsContact O-CD 3.28Å; Y301-P305 WeakPolarHBondContact O-CD 3.45Å; Y301-Y308 AromaticContact CD2-CD2 3.75Å; Y301-Y308 HydrophobicContact CD2-CD2 3.75Å; Y301-Y308 HydrophobicContact CD2-CE2 4.49Å; Y301-Y308 HydrophobicContact CD2-CG 4.16Å; Y301-Y308 HydrophobicContact CG-CD2 4.45Å; Y301-L315 HydrophobicContact CD1-CD2 3.45Å; Y301-L315 VanDerWaalsContact CD1-CD2 3.45Å; Y301-L315 HydrophobicContact CD1-CG 4.45Å; Y301-L315 HydrophobicContact CD2-CD1 3.54Å; Y301-L315 HydrophobicContact CD2-CD2 3.04Å; Y301-L315 HydrophobicContact CD2-CG 3.79Å; Y301-L315 HydrophobicContact CE1-CB 4.28Å; Y301-L315 HydrophobicContact CE1-CD1 4.35Å; Y301-L315 HydrophobicContact CE1-CD2 3.73Å; Y301-L315 HydrophobicContact CE1-CG 4.28Å; Y301-L315 HydrophobicContact CE2-CB 4.38Å; Y301-L315 HydrophobicContact CE2-CD1 3.01Å; Y301-L315 HydrophobicContact CE2-CD2 3.41Å; Y301-L315 VanDerWaalsContact CE2-CD2 3.41Å; Y301-L315 HydrophobicContact CE2-CG 3.64Å; Y301-L315 HydrophobicContact CG-CD1 4.38Å; Y301-L315 HydrophobicContact CG-CD2 3.03Å; Y301-L315 HydrophobicContact CG-CG 4.17Å; Y301-L315 VanDerWaalsContact CZ-CD1 3.45Å; Y301-T420 PolarHBondContact OH-O 3.05Å; Y301-I425 HydrophobicContact CD1-CD1 4.09Å; Y301-I425 HydrophobicContact CE1-CD1 4.46Å
302	L	86.8	Confident	88.4	Confident	15 Å²	15	72.5 Å²	72.5	8%	0.079	38%	0.382	C	S	.	.	H	α-helix	trans	-58	-34.6	-178.7	-73.4	171.4	0	0	0	111.6	F298 V299 L336 A340 V342 P376 I378 I425	F298-L302 WeakPolarHBondContact O-CG 3.49Å; F298-L302 PolarHBondContact O-N 2.87Å; V299-L302 PolarHBondContact O-N 3.17Å; L302-L336 HydrophobicContact CD1-CD2 4.46Å; L302-A340 HydrophobicContact CB-CB 4.09Å; L302-A340 HydrophobicContact CD1-CB 3.69Å; L302-V342 HydrophobicContact CB-CG1 4.47Å; L302-V342 HydrophobicContact CD1-CG1 4.45Å; L302-V342 HydrophobicContact CD1-CG2 4.09Å; L302-P376 HydrophobicContact CD2-CB 4.01Å; L302-I378 HydrophobicContact CD1-CD1 3.96Å; L302-I378 HydrophobicContact CD1-CG1 4.09Å; L302-I425 HydrophobicContact CD1-CD1 3.96Å; L302-I425 HydrophobicContact CD2-CD1 3.73Å; L302-I425 HydrophobicContact CD2-CG1 4.49Å; L302-I425 HydrophobicContact CG-CD1 3.74Å
303	K	87.6	Confident	88.1	Confident	102 Å²	102	73 Å²	73	44%	0.443	39%	0.392	S	S	.	.	H	α-helix	trans	-75.1	-40.5	174.8	-70.3	-172.1	177.6	-178.2	0	114	V299 Y301 E339	V299-K303 HydrophobicContact CG1-CD 4.31Å; V299-K303 WeakPolarHBondContact O-CG 3.07Å; V299-K303 PolarHBondContact O-N 3.02Å; Y301-K303 PolarHBondContact O-N 3.13Å; K303-E339 WeakPolarHBondContact CE-O 3.47Å; K303-E339 PolarHBondContact NZ-O 3.44Å
304	N	87.1	Confident	87.5	Confident	102 Å²	102	75.3 Å²	75.3	55%	0.545	40%	0.4	S	S	.	.			trans	-133.7	66.2	-173.2	-66.6	-55	0	0	0	112.3	S300 Y301 Q306 K307	S300-N304 PolarHBondContact O-N 2.77Å; Y301-N304 CarbonylContact O-C 3.29Å; Y301-N304 VanDerWaalsContact O-C 3.29Å; Y301-N304 PolarHBondContact O-N 3.45Å; Y301-N304 VanDerWaalsContact O-N 3.11Å; N304-Q306 VanDerWaalsContact C-N 3.28Å; N304-Q306 PolarHBondContact O-N 3Å; N304-K307 HydrophobicContact CB-CB 4.41Å; N304-K307 WeakPolarHBondContact O-CB 3.47Å; N304-K307 PolarHBondContact O-N 3.46Å
305	P	85.6	Confident	86.9	Confident	45 Å²	45	72.2 Å²	72.2	29%	0.292	39%	0.386	S	S	.	.	H	α-helix	trans	-64.3	-33	-174.9	24.2	-33.6	0	0	0	112.6	Y301 K307 Y308 Q309	Y301-P305 HydrophobicContact CD2-CB 4.13Å; Y301-P305 HydrophobicContact CE2-CB 3.66Å; Y301-P305 WeakPolarHBondContact O-CA 3.48Å; Y301-P305 VanDerWaalsContact O-CD 3.28Å; Y301-P305 WeakPolarHBondContact O-CD 3.45Å; P305-K307 VanDerWaalsContact C-N 3.26Å; P305-K307 PolarHBondContact O-N 3.02Å; P305-Y308 PolarHBondContact O-N 3.27Å; P305-Y308 VanDerWaalsContact O-N 3.14Å; P305-Q309 WeakPolarHBondContact O-CG 3.35Å; P305-Q309 PolarHBondContact O-N 3.05Å
306	Q	86.1	Confident	86.5	Confident	156 Å²	156	73 Å²	73	73%	0.729	39%	0.391	S	S	*	.	H	α-helix	trans	-58.8	-35.1	179.6	-65	179.5	3.2	0	0	112.9	N304 Y308 Q309 A310	N304-Q306 VanDerWaalsContact C-N 3.28Å; N304-Q306 PolarHBondContact O-N 3Å; Q306-Y308 VanDerWaalsContact C-N 3.29Å; Q306-Y308 PolarHBondContact O-N 3.12Å; Q306-Q309 PolarHBondContact O-N 3.38Å; Q306-A310 VanDerWaalsContact O-CB 3.27Å; Q306-A310 WeakPolarHBondContact O-CB 3.15Å; Q306-A310 PolarHBondContact O-N 2.98Å
307	K	88.9	Confident	86.4	Confident	136 Å²	136	70.8 Å²	70.8	59%	0.591	38%	0.379	S	S	*	.	H	α-helix	trans	-60.7	-41	178.7	-177.2	-175.4	175.9	-172.9	0	111.3	N304 P305 L311	N304-K307 HydrophobicContact CB-CB 4.41Å; N304-K307 WeakPolarHBondContact O-CB 3.47Å; N304-K307 PolarHBondContact O-N 3.46Å; P305-K307 VanDerWaalsContact C-N 3.26Å; P305-K307 PolarHBondContact O-N 3.02Å; K307-L311 WeakPolarHBondContact O-CG 3.27Å
308	Y	86.9	Confident	86.5	Confident	54 Å²	54	65.8 Å²	65.8	21%	0.212	36%	0.356	C	S	.	.	H	α-helix	trans	-78.7	-39.8	-179.9	-68.6	-80.5	0	0	0	111.9	S300 Y301 P305 Q306 A310 L311 G312 A313	S300-Y308 PolarHBondContact OG-OH 3.35Å; Y301-Y308 AromaticContact CD2-CD2 3.75Å; Y301-Y308 HydrophobicContact CD2-CD2 3.75Å; Y301-Y308 HydrophobicContact CD2-CE2 4.49Å; Y301-Y308 HydrophobicContact CD2-CG 4.16Å; Y301-Y308 HydrophobicContact CG-CD2 4.45Å; P305-Y308 PolarHBondContact O-N 3.27Å; P305-Y308 VanDerWaalsContact O-N 3.14Å; Q306-Y308 VanDerWaalsContact C-N 3.29Å; Q306-Y308 PolarHBondContact O-N 3.12Å; Y308-A310 VanDerWaalsContact C-N 3.34Å; Y308-A310 PolarHBondContact O-N 3.25Å; Y308-L311 PolarHBondContact O-N 3.38Å; Y308-G312 PolarHBondContact O-N 3.46Å; Y308-A313 HydrophobicContact CD1-CB 4.45Å; Y308-A313 PolarHBondContact O-N 3.44Å; Y308-A313 VanDerWaalsContact O-N 3.1Å
309	Q	83.5	Confident	86.7	Confident	96 Å²	96	65.2 Å²	65.2	45%	0.449	35%	0.353	S	S	.	.	H	α-helix	trans	-61.4	-40.5	175.2	-69.8	174.3	-0.7	0	0	112.1	P305 Q306 L311 G312	P305-Q309 WeakPolarHBondContact O-CG 3.35Å; P305-Q309 PolarHBondContact O-N 3.05Å; Q306-Q309 PolarHBondContact O-N 3.38Å; Q309-L311 PolarHBondContact O-N 3.06Å; Q309-G312 PolarHBondContact O-N 2.89Å
310	A	87.7	Confident	86.9	Confident	91 Å²	91	65 Å²	65	75%	0.752	35%	0.352	S	S	*	.	H	α-helix	trans	-63.1	-27.8	177.1	0	0	0	0	0	113.3	Q306 Y308 G312	Q306-A310 VanDerWaalsContact O-CB 3.27Å; Q306-A310 WeakPolarHBondContact O-CB 3.15Å; Q306-A310 PolarHBondContact O-N 2.98Å; Y308-A310 VanDerWaalsContact C-N 3.34Å; Y308-A310 PolarHBondContact O-N 3.25Å; A310-G312 VanDerWaalsContact C-N 3.32Å
311	L	90.4	Very high	87.2	Confident	135 Å²	135	63 Å²	63	71%	0.707	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-3.6	175.5	-65	172.4	0	0	0	112.9	K307 Y308 Q309 A313	K307-L311 WeakPolarHBondContact O-CG 3.27Å; Y308-L311 PolarHBondContact O-N 3.38Å; Q309-L311 PolarHBondContact O-N 3.06Å; L311-A313 PolarHBondContact O-N 3.05Å
312	G	86.1	Confident	87.6	Confident	62 Å²	62	63.1 Å²	63.1	64%	0.639	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	14.8	-173.6	0	0	0	0	0	113.7	Y308 Q309 A310 K314	Y308-G312 PolarHBondContact O-N 3.46Å; Q309-G312 PolarHBondContact O-N 2.89Å; A310-G312 VanDerWaalsContact C-N 3.32Å; G312-K314 PolarHBondContact O-N 3.06Å
313	A	85.5	Confident	87.9	Confident	45 Å²	45	63.3 Å²	63.3	37%	0.372	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-70.7	120.4	178.5	0	0	0	0	0	109.6	Y308 L311	Y308-A313 HydrophobicContact CD1-CB 4.45Å; Y308-A313 PolarHBondContact O-N 3.44Å; Y308-A313 VanDerWaalsContact O-N 3.1Å; L311-A313 PolarHBondContact O-N 3.05Å
314	K	79.5	Confident	88.1	Confident	193 Å²	193	60.6 Å²	60.6	84%	0.839	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-79.9	131.1	168.4	-67.1	-174.8	-178.6	-177.7	0	108.5	G312	G312-K314 PolarHBondContact O-N 3.06Å
315	L	78.1	Confident	88.3	Confident	25 Å²	25	59.8 Å²	59.8	13%	0.131	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-91.5	147.9	-177.1	-76.4	109.4	0	0	0	112.9	Y301 K317	Y301-L315 HydrophobicContact CD1-CD2 3.45Å; Y301-L315 VanDerWaalsContact CD1-CD2 3.45Å; Y301-L315 HydrophobicContact CD1-CG 4.45Å; Y301-L315 HydrophobicContact CD2-CD1 3.54Å; Y301-L315 HydrophobicContact CD2-CD2 3.04Å; Y301-L315 HydrophobicContact CD2-CG 3.79Å; Y301-L315 HydrophobicContact CE1-CB 4.28Å; Y301-L315 HydrophobicContact CE1-CD1 4.35Å; Y301-L315 HydrophobicContact CE1-CD2 3.73Å; Y301-L315 HydrophobicContact CE1-CG 4.28Å; Y301-L315 HydrophobicContact CE2-CB 4.38Å; Y301-L315 HydrophobicContact CE2-CD1 3.01Å; Y301-L315 HydrophobicContact CE2-CD2 3.41Å; Y301-L315 VanDerWaalsContact CE2-CD2 3.41Å; Y301-L315 HydrophobicContact CE2-CG 3.64Å; Y301-L315 HydrophobicContact CG-CD1 4.38Å; Y301-L315 HydrophobicContact CG-CD2 3.03Å; Y301-L315 HydrophobicContact CG-CG 4.17Å; Y301-L315 VanDerWaalsContact CZ-CD1 3.45Å; L315-K317 PolarHBondContact O-N 2.97Å
316	P	83.5	Confident	88.6	Confident	18 Å²	18	59.1 Å²	59.1	12%	0.117	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-62.7	126.4	175.7	27.1	-35.1	0	0	0	110	F298 D447 R448	F298-P316 HydrophobicContact CD1-CG 4.21Å; F298-P316 HydrophobicContact CE1-CB 4.16Å; F298-P316 HydrophobicContact CE1-CG 3.42Å; F298-P316 VanDerWaalsContact CE1-CG 3.42Å; F298-P316 HydrophobicContact CZ-CG 3.93Å; P316-D447 VanDerWaalsContact CA-OD1 3.31Å; P316-D447 WeakPolarHBondContact CA-OD1 3.48Å; P316-D447 WeakPolarHBondContact CA-OD2 3.39Å; P316-D447 WeakPolarHBondContact CB-OD1 3.32Å; P316-D447 VanDerWaalsContact CB-OD2 3.27Å; P316-D447 WeakPolarHBondContact CB-OD2 3.45Å; P316-R448 HydrophobicContact CB-CG 3.55Å; P316-R448 HydrophobicContact CG-CG 3.91Å
317	K	87	Confident	88.8	Confident	40 Å²	40	52.2 Å²	52.2	17%	0.174	31%	0.308	C	S	.	.	S	Bend	trans	-71.3	-26.8	176.8	-63.5	-158.6	-161.9	-179.8	0	111.1	L315 M415 D416 M418 T420 V426 G444 D447	L315-K317 PolarHBondContact O-N 2.97Å; K317-M415 WeakPolarHBondContact CD-O 3.33Å; K317-M415 PolarHBondContact NZ-O 3.16Å; K317-D416 PolarHBondContact NZ-O 3.33Å; K317-M418 HydrophobicContact CB-CE 3.97Å; K317-M418 HydrophobicContact CD-CB 4.27Å; K317-M418 HydrophobicContact CD-CE 4.44Å; K317-M418 WeakPolarHBondContact CD-O 3.48Å; K317-M418 WeakPolarHBondContact CE-O 3.39Å; K317-M418 PolarHBondContact NZ-O 2.92Å; K317-T420 HydrophobicContact CG-CG2 4.36Å; K317-V426 PolarHBondContact O-N 3.14Å; K317-V426 VanDerWaalsContact O-N 3.08Å; K317-G444 VanDerWaalsContact CD-O 3.31Å; K317-G444 WeakPolarHBondContact CD-O 3.29Å; K317-D447 PolarHBondContact N-OD1 3Å
318	G	91.6	Very high	89	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	159.7	176.8	0	0	0	0	0	114.8	V426 R445 D447 R448	G318-V426 CarbonylContact C-O 3.56Å; G318-V426 WeakPolarHBondContact CA-O 3.35Å; G318-R445 WeakPolarHBondContact CA-O 3.22Å; G318-R445 PolarHBondContact N-O 3.35Å; G318-R445 VanDerWaalsContact N-O 3.09Å; G318-D447 PolarHBondContact O-N 2.93Å; G318-R448 PolarHBondContact O-N 3.48Å
319	A	94	Very high	89.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139.3	177.3	0	0	0	0	0	110.9	F298 V426 F427 G428 R448 I450	F298-A319 HydrophobicContact CE1-CB 4.15Å; F298-A319 HydrophobicContact CE2-CB 4.36Å; F298-A319 HydrophobicContact CZ-CB 3.65Å; A319-V426 PolarHBondContact N-O 3.12Å; A319-F427 HydrophobicContact CB-CD1 3.77Å; A319-F427 HydrophobicContact CB-CE1 3.64Å; A319-F427 HydrophobicContact CB-CZ 4.42Å; A319-F427 CarbonylContact O-C 3.58Å; A319-F427 VanDerWaalsContact O-CA 3.24Å; A319-F427 WeakPolarHBondContact O-CA 3.4Å; A319-G428 PolarHBondContact O-N 2.83Å; A319-R448 CarbonylContact C-O 3.47Å; A319-R448 VanDerWaalsContact CA-O 3.26Å; A319-R448 WeakPolarHBondContact CA-O 3.24Å; A319-R448 HydrophobicContact CB-CB 3.86Å; A319-I450 HydrophobicContact CB-CD1 4.32Å
320	L	94.5	Very high	89.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.3	178.6	-172	68.4	0	0	0	109.7	L322 L384 G428 T430 L436 L441 F446 R448 I450	L320-L322 HydrophobicContact CD2-CD1 4.39Å; L320-L322 HydrophobicContact CD2-CD2 3.54Å; L320-L322 HydrophobicContact CD2-CG 4.14Å; L320-L322 HydrophobicContact CG-CD2 3.67Å; L320-L322 HydrophobicContact CG-CG 4.11Å; L320-L384 HydrophobicContact CD1-CD2 3.59Å; L320-G428 CarbonylContact C-O 3.55Å; L320-G428 WeakPolarHBondContact CA-O 3.39Å; L320-T430 HydrophobicContact CD1-CG2 4.41Å; L320-L436 HydrophobicContact CD1-CD1 4.24Å; L320-L436 HydrophobicContact CD2-CD1 3.62Å; L320-L441 HydrophobicContact CD2-CD2 3.54Å; L320-F446 HydrophobicContact CB-CB 4.08Å; L320-F446 HydrophobicContact CB-CD1 4.32Å; L320-F446 HydrophobicContact CB-CG 4.31Å; L320-R448 PolarHBondContact N-O 2.85Å; L320-I450 PolarHBondContact O-N 3.22Å
321	L	95.5	Very high	89.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	109.9	174.1	-56.1	-173	0	0	0	109.8	K329 V333 F380 G428 A429 T430 I450 I452	L321-K329 HydrophobicContact CB-CB 4.26Å; L321-K329 HydrophobicContact CB-CD 4.27Å; L321-K329 HydrophobicContact CB-CG 4.13Å; L321-K329 HydrophobicContact CD1-CB 3.96Å; L321-K329 WeakPolarHBondContact CD1-O 3.49Å; L321-V333 HydrophobicContact CD1-CG2 3.38Å; L321-V333 HydrophobicContact CG-CG2 4.45Å; L321-F380 HydrophobicContact CD1-CE2 4.5Å; L321-G428 PolarHBondContact N-O 2.96Å; L321-A429 HydrophobicContact CB-CB 4.31Å; L321-A429 WeakPolarHBondContact O-CA 3.43Å; L321-T430 PolarHBondContact O-N 2.81Å; L321-T430 VanDerWaalsContact O-N 3.11Å; L321-I450 WeakPolarHBondContact CA-O 3.39Å; L321-I450 HydrophobicContact CD2-CB 3.75Å; L321-I450 HydrophobicContact CD2-CD1 3.93Å; L321-I450 HydrophobicContact CD2-CG1 4.28Å; L321-I450 HydrophobicContact CD2-CG2 4.14Å; L321-I452 HydrophobicContact CB-CD1 4.46Å; L321-I452 HydrophobicContact CD1-CD1 4.41Å; L321-I452 HydrophobicContact CD2-CD1 4.34Å
322	L	93.9	Very high	90.1	Very high	10 Å²	10	34.4 Å²	34.4	5%	0.052	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	148.7	-178	-61.4	179.4	0	0	0	110.1	L320 T430 A433 H449 I450 F451 I452	L320-L322 HydrophobicContact CD2-CD1 4.39Å; L320-L322 HydrophobicContact CD2-CD2 3.54Å; L320-L322 HydrophobicContact CD2-CG 4.14Å; L320-L322 HydrophobicContact CG-CD2 3.67Å; L320-L322 HydrophobicContact CG-CG 4.11Å; L322-T430 HydrophobicContact CD2-CG2 3.37Å; L322-A433 HydrophobicContact CD1-CB 4.37Å; L322-A433 HydrophobicContact CD2-CB 3.8Å; L322-H449 HydrophobicContact CD1-CB 4.3Å; L322-I450 PolarHBondContact N-O 2.93Å; L322-F451 HydrophobicContact CB-CD1 3.8Å; L322-F451 HydrophobicContact CB-CE1 4.05Å; L322-F451 HydrophobicContact CB-CG 4.46Å; L322-F451 HydrophobicContact CD1-CD1 3.97Å; L322-F451 HydrophobicContact CD1-CE1 3.38Å; L322-F451 HydrophobicContact CD1-CE2 4.34Å; L322-F451 HydrophobicContact CD1-CZ 3.6Å; L322-F451 HydrophobicContact CG-CE1 4.35Å; L322-I452 PolarHBondContact O-N 2.97Å
323	G	92.4	Very high	90.4	Very high	19 Å²	19	31.6 Å²	31.6	20%	0.196	19%	0.19	C	C	.	.	S	Bend	trans	149.9	-177.8	175	0	0	0	0	0	114.4	K329 N431 I452	G323-K329 VanDerWaalsContact N-NZ 3.18Å; G323-K329 PolarHBondContact O-NZ 2.69Å; G323-N431 WeakPolarHBondContact O-CA 3.5Å; G323-N431 PolarHBondContact O-OD1 3.34Å; G323-I452 WeakPolarHBondContact CA-O 3.27Å
324	P	92	Very high	90.7	Very high	45 Å²	45	32.4 Å²	32.4	29%	0.292	19%	0.185	S	C	.	.			trans	-65.5	163.4	173.4	-22.8	36	0	0	0	113.1	T327 N431 I452 L454	P324-T327 HydrophobicContact CB-CG2 4.21Å; P324-T327 HydrophobicContact CG-CG2 4.48Å; P324-T327 PolarHBondContact O-OG1 3.2Å; P324-N431 PolarHBondContact O-OD1 3.48Å; P324-I452 WeakPolarHBondContact CD-O 3.34Å; P324-L454 HydrophobicContact CB-CD2 4.27Å; P324-L454 HydrophobicContact CG-CD2 4.22Å; P324-L454 HydrophobicContact CG-CG 4.13Å
325	P	91.8	Very high	91.3	Very high	85 Å²	85	23.2 Å²	23.2	55%	0.552	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	150.8	170	28.3	-34.4	0	0	0	111	T327	P325-T327 VanDerWaalsContact C-N 3.34Å; P325-T327 PolarHBondContact O-N 3.03Å
326	G	90.9	Very high	92	Very high	32 Å²	32	22 Å²	22	33%	0.33	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	7.5	172.3	0	0	0	0	0	116.2	G328 G495 A496	G326-G328 VanDerWaalsContact C-N 3.28Å; G326-G328 PolarHBondContact O-N 3.15Å; G326-G495 PolarHBondContact O-N 2.67Å; G326-A496 PolarHBondContact O-N 3.49Å
327	T	92.3	Very high	92.5	Very high	11 Å²	11	21.3 Å²	21.3	7%	0.067	13%	0.134	C	C	.	.	S	Bend	trans	-82.6	2.2	177.1	58.6	0	0	0	0	114.4	P324 P325 I452 L454	P324-T327 HydrophobicContact CB-CG2 4.21Å; P324-T327 HydrophobicContact CG-CG2 4.48Å; P324-T327 PolarHBondContact O-OG1 3.2Å; P325-T327 VanDerWaalsContact C-N 3.34Å; P325-T327 PolarHBondContact O-N 3.03Å; T327-I452 WeakPolarHBondContact OG1-CG2 3.47Å; T327-L454 HydrophobicContact CG2-CD2 4.28Å
328	G	91.4	Very high	92.7	Very high	21 Å²	21	21.3 Å²	21.3	22%	0.216	14%	0.136	C	C	.	.	S	Bend	trans	88.4	18.7	175.7	0	0	0	0	0	115.5	G326 T330 L331 L332	G326-G328 VanDerWaalsContact C-N 3.28Å; G326-G328 PolarHBondContact O-N 3.15Å; G328-T330 VanDerWaalsContact C-N 3.35Å; G328-T330 PolarHBondContact O-N 3.44Å; G328-L331 WeakPolarHBondContact O-CB 3.38Å; G328-L331 PolarHBondContact O-N 3.04Å; G328-L332 WeakPolarHBondContact O-CB 3.38Å; G328-L332 PolarHBondContact O-N 3.42Å
329	K	93.5	Very high	92.7	Very high	10 Å²	10	24 Å²	24	4%	0.043	15%	0.149	C	C	.	.	H	α-helix	trans	-47.7	-53	175.5	-62.9	172.9	-172.1	173.3	0	112.9	L321 G323 L331 L332 V333 A429 T430 N431 I452	L321-K329 HydrophobicContact CB-CB 4.26Å; L321-K329 HydrophobicContact CB-CD 4.27Å; L321-K329 HydrophobicContact CB-CG 4.13Å; L321-K329 HydrophobicContact CD1-CB 3.96Å; L321-K329 WeakPolarHBondContact CD1-O 3.49Å; G323-K329 VanDerWaalsContact N-NZ 3.18Å; G323-K329 PolarHBondContact O-NZ 2.69Å; K329-L331 VanDerWaalsContact C-N 3.33Å; K329-L331 PolarHBondContact O-N 3Å; K329-L332 PolarHBondContact O-N 3.22Å; K329-V333 PolarHBondContact O-N 3.3Å; K329-A429 HydrophobicContact CB-CB 4.25Å; K329-A429 HydrophobicContact CD-CB 4.15Å; K329-T430 PolarHBondContact NZ-O 3.35Å; K329-N431 PolarHBondContact NZ-OD1 3.33Å; K329-I452 HydrophobicContact CG-CD1 3.93Å
330	T	91.6	Very high	92.5	Very high	34 Å²	34	24.3 Å²	24.3	21%	0.209	15%	0.152	C	C	.	.	H	α-helix	trans	-67.3	-33.5	-179.7	-45.7	0	0	0	0	112.3	G328 K334 F380 D382	G328-T330 VanDerWaalsContact C-N 3.35Å; G328-T330 PolarHBondContact O-N 3.44Å; T330-K334 HydrophobicContact CG2-CD 4.41Å; T330-K334 WeakPolarHBondContact O-CB 3.46Å; T330-K334 VanDerWaalsContact O-CG 3.26Å; T330-K334 WeakPolarHBondContact O-CG 3.28Å; T330-K334 PolarHBondContact O-N 2.8Å; T330-F380 HydrophobicContact CG2-CD1 4.33Å; T330-F380 HydrophobicContact CG2-CE1 3.57Å; T330-F380 HydrophobicContact CG2-CZ 4.17Å; T330-D382 PolarHBondContact OG1-OD2 3.1Å
331	L	92.4	Very high	92.3	Very high	73 Å²	73	32.4 Å²	32.4	38%	0.382	19%	0.189	S	C	.	.	H	α-helix	trans	-69.7	-38.9	175.3	-71.5	173.3	0	0	0	111.6	G328 K329 K334 A335	G328-L331 WeakPolarHBondContact O-CB 3.38Å; G328-L331 PolarHBondContact O-N 3.04Å; K329-L331 VanDerWaalsContact C-N 3.33Å; K329-L331 PolarHBondContact O-N 3Å; L331-K334 PolarHBondContact O-N 2.8Å; L331-A335 WeakPolarHBondContact O-CB 3.4Å; L331-A335 PolarHBondContact O-N 3.02Å
332	L	93.9	Very high	92.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.1	-45.6	179.3	-176	64.2	0	0	0	111.8	F282 C291 K292 V295 G328 K329 A335 L336 I452	F282-L332 HydrophobicContact CD1-CD1 4.48Å; F282-L332 HydrophobicContact CE1-CD1 4.01Å; C291-L332 HydrophobicContact CB-CD2 4.19Å; K292-L332 HydrophobicContact CG-CD1 3.88Å; V295-L332 HydrophobicContact CG1-CD1 4.34Å; V295-L332 HydrophobicContact CG1-CG 4.25Å; V295-L332 HydrophobicContact CG2-CD2 3.89Å; V295-L332 HydrophobicContact CG2-CG 4.29Å; G328-L332 WeakPolarHBondContact O-CB 3.38Å; G328-L332 PolarHBondContact O-N 3.42Å; K329-L332 PolarHBondContact O-N 3.22Å; L332-A335 PolarHBondContact O-N 2.79Å; L332-L336 PolarHBondContact O-N 3.1Å; L332-I452 HydrophobicContact CD2-CD1 3.71Å
333	V	92.9	Very high	92	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	21%	0.205	C	C	.	.	H	α-helix	trans	-70	-38.4	178.1	-169.3	0	0	0	0	111.6	L321 K329 A335 L336 A337 F344 I378 F380 F427	L321-V333 HydrophobicContact CD1-CG2 3.38Å; L321-V333 HydrophobicContact CG-CG2 4.45Å; K329-V333 PolarHBondContact O-N 3.3Å; V333-A335 VanDerWaalsContact C-N 3.27Å; V333-A335 PolarHBondContact O-N 3.04Å; V333-L336 PolarHBondContact O-N 2.66Å; V333-A337 PolarHBondContact O-N 2.73Å; V333-F344 HydrophobicContact CB-CE2 4.36Å; V333-F344 HydrophobicContact CG1-CD2 4.49Å; V333-F344 HydrophobicContact CG1-CE2 3.68Å; V333-F344 HydrophobicContact CG1-CZ 4.48Å; V333-I378 HydrophobicContact CG1-CG2 3.98Å; V333-F380 HydrophobicContact CB-CD2 4Å; V333-F380 HydrophobicContact CB-CE2 4.32Å; V333-F380 HydrophobicContact CB-CG 4.48Å; V333-F380 HydrophobicContact CG1-CB 4.29Å; V333-F380 HydrophobicContact CG1-CD2 4.01Å; V333-F380 HydrophobicContact CG1-CG 4.36Å; V333-F380 HydrophobicContact CG2-CD2 3.73Å; V333-F380 HydrophobicContact CG2-CE2 3.75Å; V333-F427 HydrophobicContact CG1-CB 4.08Å; V333-F427 HydrophobicContact CG1-CD2 3.92Å; V333-F427 HydrophobicContact CG1-CG 3.92Å; V333-F427 HydrophobicContact CG2-CB 4.16Å; V333-F427 HydrophobicContact CG2-CD1 4.08Å; V333-F427 HydrophobicContact CG2-CG 4.13Å
334	K	92.5	Very high	92	Very high	63 Å²	63	34 Å²	34	27%	0.274	20%	0.197	S	C	.	.	H	α-helix	trans	-60	-38.8	174	-78.4	175.5	-179.4	179.4	0	112.2	S278 T330 L331 N338 F344	S278-K334 PolarHBondContact OG-O 2.89Å; T330-K334 HydrophobicContact CG2-CD 4.41Å; T330-K334 WeakPolarHBondContact O-CB 3.46Å; T330-K334 VanDerWaalsContact O-CG 3.26Å; T330-K334 WeakPolarHBondContact O-CG 3.28Å; T330-K334 PolarHBondContact O-N 2.8Å; L331-K334 PolarHBondContact O-N 2.8Å; K334-N338 PolarHBondContact O-N 3.31Å; K334-F344 HydrophobicContact CD-CE1 4.44Å; K334-F344 HydrophobicContact CG-CD1 4.26Å; K334-F344 HydrophobicContact CG-CE1 3.55Å; K334-F344 HydrophobicContact CG-CZ 3.82Å
335	A	92.8	Very high	92.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-69.5	-44	174.8	0	0	0	0	0	111.7	V280 F282 V285 L331 L332 V333 A337 N338 E339	V280-A335 HydrophobicContact CG1-CB 4.24Å; V280-A335 WeakPolarHBondContact O-CA 3.32Å; F282-A335 HydrophobicContact CD1-CB 3.53Å; F282-A335 HydrophobicContact CE1-CB 3.81Å; F282-A335 HydrophobicContact CG-CB 4.38Å; V285-A335 HydrophobicContact CG2-CB 3.76Å; L331-A335 WeakPolarHBondContact O-CB 3.4Å; L331-A335 PolarHBondContact O-N 3.02Å; L332-A335 PolarHBondContact O-N 2.79Å; V333-A335 VanDerWaalsContact C-N 3.27Å; V333-A335 PolarHBondContact O-N 3.04Å; A335-A337 VanDerWaalsContact C-N 3.28Å; A335-A337 PolarHBondContact O-N 3.22Å; A335-N338 PolarHBondContact O-N 2.7Å; A335-E339 WeakPolarHBondContact O-CB 3.17Å; A335-E339 WeakPolarHBondContact O-CG 3.47Å; A335-E339 PolarHBondContact O-N 2.8Å
336	L	92.8	Very high	92.1	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-54.3	-45.9	173.9	175.2	159.2	0	0	0	111.1	F282 V295 F298 V299 L302 L332 V333 N338 E339 A340 I378 F427	F282-L336 HydrophobicContact CE1-CB 4.21Å; F282-L336 VanDerWaalsContact CZ-CA 3.49Å; F282-L336 HydrophobicContact CZ-CB 3.84Å; V295-L336 HydrophobicContact CB-CD1 4.3Å; V295-L336 HydrophobicContact CG1-CB 3.84Å; V295-L336 HydrophobicContact CG1-CD1 3.22Å; V295-L336 HydrophobicContact CG1-CG 3.98Å; V295-L336 WeakPolarHBondContact O-CD1 3.24Å; F298-L336 HydrophobicContact CB-CD1 3.89Å; V299-L336 HydrophobicContact CG2-CB 4.47Å; V299-L336 HydrophobicContact CG2-CD1 4.3Å; V299-L336 HydrophobicContact CG2-CG 3.71Å; L302-L336 HydrophobicContact CD1-CD2 4.46Å; L332-L336 PolarHBondContact O-N 3.1Å; V333-L336 PolarHBondContact O-N 2.66Å; L336-N338 PolarHBondContact O-N 2.9Å; L336-E339 PolarHBondContact O-N 3.28Å; L336-A340 WeakPolarHBondContact O-CB 3.22Å; L336-A340 PolarHBondContact O-N 3.12Å; L336-I378 HydrophobicContact CD2-CD1 3.11Å; L336-I378 HydrophobicContact CD2-CG1 4.13Å; L336-F427 HydrophobicContact CD1-CE1 4.36Å; L336-F427 HydrophobicContact CD1-CE2 4.12Å; L336-F427 HydrophobicContact CD1-CZ 3.59Å; L336-F427 HydrophobicContact CD2-CE2 4.28Å
337	A	92.3	Very high	92.2	Very high	2 Å²	2	29.5 Å²	29.5	2%	0.017	16%	0.161	C	C	.	.	H	α-helix	trans	-65.1	-39.5	-177.1	0	0	0	0	0	112.7	V333 A335 E341 V342 F344 I378	V333-A337 PolarHBondContact O-N 2.73Å; A335-A337 VanDerWaalsContact C-N 3.28Å; A335-A337 PolarHBondContact O-N 3.22Å; A337-E341 PolarHBondContact O-N 3.12Å; A337-V342 PolarHBondContact O-N 2.99Å; A337-F344 HydrophobicContact CB-CB 3.77Å; A337-F344 HydrophobicContact CB-CD2 3.79Å; A337-F344 HydrophobicContact CB-CG 4Å; A337-I378 HydrophobicContact CB-CD1 3.61Å
338	N	92	Very high	92.1	Very high	41 Å²	41	30.4 Å²	30.4	22%	0.219	17%	0.169	C	C	.	.	H	α-helix	trans	-66	-42.2	174.7	-166.9	-59.8	0	0	0	111.1	S278 V280 K334 A335 L336 A340 E341	S278-N338 PolarHBondContact O-ND2 2.67Å; V280-N338 WeakPolarHBondContact O-CB 3.49Å; K334-N338 PolarHBondContact O-N 3.31Å; A335-N338 PolarHBondContact O-N 2.7Å; L336-N338 PolarHBondContact O-N 2.9Å; N338-A340 VanDerWaalsContact C-N 3.33Å; N338-A340 PolarHBondContact O-N 2.98Å; N338-E341 PolarHBondContact O-N 2.94Å
339	E	91.4	Very high	91.9	Very high	56 Å²	56	29.4 Å²	29.4	26%	0.262	16%	0.159	S	C	.	.	H	α-helix	trans	-70	-30.3	-179.3	-68.5	-82.9	-179	0	0	112.6	F282 V299 K303 A335 L336 E341	F282-E339 HydrophobicContact CB-CG 4.28Å; F282-E339 HydrophobicContact CD2-CB 3.92Å; F282-E339 HydrophobicContact CD2-CG 3.35Å; F282-E339 HydrophobicContact CE2-CB 3.72Å; F282-E339 HydrophobicContact CE2-CG 3.67Å; F282-E339 HydrophobicContact CG-CG 3.83Å; F282-E339 HydrophobicContact CZ-CB 4.47Å; F282-E339 HydrophobicContact CZ-CG 4.42Å; F282-E339 PolarHBondContact N-OE1 3.11Å; V299-E339 HydrophobicContact CG1-CB 4.44Å; V299-E339 HydrophobicContact CG2-CB 4.43Å; K303-E339 WeakPolarHBondContact CE-O 3.47Å; K303-E339 PolarHBondContact NZ-O 3.44Å; A335-E339 WeakPolarHBondContact O-CB 3.17Å; A335-E339 WeakPolarHBondContact O-CG 3.47Å; A335-E339 PolarHBondContact O-N 2.8Å; L336-E339 PolarHBondContact O-N 3.28Å; E339-E341 VanDerWaalsContact C-N 3.34Å
340	A	89.9	Confident	91.6	Very high	7 Å²	7	31.9 Å²	31.9	6%	0.058	18%	0.176	C	C	.	.	H	α-helix	trans	-81.7	-11	171	0	0	0	0	0	113.5	V299 L302 L336 N338 V342	V299-A340 HydrophobicContact CG1-CB 4.29Å; V299-A340 HydrophobicContact CG2-CB 4.48Å; L302-A340 HydrophobicContact CB-CB 4.09Å; L302-A340 HydrophobicContact CD1-CB 3.69Å; L336-A340 WeakPolarHBondContact O-CB 3.22Å; L336-A340 PolarHBondContact O-N 3.12Å; N338-A340 VanDerWaalsContact C-N 3.33Å; N338-A340 PolarHBondContact O-N 2.98Å; A340-V342 VanDerWaalsContact C-N 3.27Å; A340-V342 HydrophobicContact CB-CG1 4.21Å; A340-V342 HydrophobicContact CB-CG2 3.99Å; A340-V342 WeakPolarHBondContact O-CG1 3.47Å; A340-V342 PolarHBondContact O-N 3.31Å
341	E	89.9	Confident	91.4	Very high	169 Å²	169	34.8 Å²	34.8	79%	0.79	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	36.5	-176.1	-59.7	176.9	-169	0	0	113.4	A337 N338 E339	A337-E341 PolarHBondContact O-N 3.12Å; N338-E341 PolarHBondContact O-N 2.94Å; E339-E341 VanDerWaalsContact C-N 3.34Å
342	V	90.8	Very high	91	Very high	19 Å²	19	31.4 Å²	31.4	12%	0.115	17%	0.17	C	C	.	.			trans	-114.2	152.6	-178	-59.4	0	0	0	0	112.6	L302 A337 A340 F344 P376 I378	L302-V342 HydrophobicContact CB-CG1 4.47Å; L302-V342 HydrophobicContact CD1-CG1 4.45Å; L302-V342 HydrophobicContact CD1-CG2 4.09Å; A337-V342 PolarHBondContact O-N 2.99Å; A340-V342 VanDerWaalsContact C-N 3.27Å; A340-V342 HydrophobicContact CB-CG1 4.21Å; A340-V342 HydrophobicContact CB-CG2 3.99Å; A340-V342 WeakPolarHBondContact O-CG1 3.47Å; A340-V342 PolarHBondContact O-N 3.31Å; V342-F344 PolarHBondContact O-N 2.76Å; V342-P376 WeakPolarHBondContact CB-O 3.45Å; V342-P376 HydrophobicContact CG1-CB 4.16Å; V342-P376 HydrophobicContact CG1-CG 3.93Å; V342-I378 HydrophobicContact CG2-CD1 3.28Å; V342-I378 HydrophobicContact CG2-CG1 3.75Å
343	P	92.1	Very high	90.4	Very high	43 Å²	43	34.4 Å²	34.4	28%	0.279	19%	0.188	S	C	.	.			trans	-56.3	133.8	172.8	-27	37.7	0	0	0	112.9	P275 F345 H374 P376 A377 I378	P275-P343 HydrophobicContact CB-CB 3.99Å; P343-F345 HydrophobicContact CB-CE2 4.02Å; P343-H374 HydrophobicContact CB-CB 4.28Å; P343-H374 HydrophobicContact CG-CB 4.15Å; P343-P376 VanDerWaalsContact CD-O 3.31Å; P343-P376 WeakPolarHBondContact CD-O 3.37Å; P343-A377 HydrophobicContact CB-CB 4.48Å; P343-I378 PolarHBondContact O-N 3.05Å
344	F	93.4	Very high	89.6	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.009	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119	-179.1	-179.8	-115	0	0	0	111	T276 V333 K334 A337 V342 I378 F380	T276-F344 PolarHBondContact N-O 3.29Å; V333-F344 HydrophobicContact CB-CE2 4.36Å; V333-F344 HydrophobicContact CG1-CD2 4.49Å; V333-F344 HydrophobicContact CG1-CE2 3.68Å; V333-F344 HydrophobicContact CG1-CZ 4.48Å; K334-F344 HydrophobicContact CD-CE1 4.44Å; K334-F344 HydrophobicContact CG-CD1 4.26Å; K334-F344 HydrophobicContact CG-CE1 3.55Å; K334-F344 HydrophobicContact CG-CZ 3.82Å; A337-F344 HydrophobicContact CB-CB 3.77Å; A337-F344 HydrophobicContact CB-CD2 3.79Å; A337-F344 HydrophobicContact CB-CG 4Å; V342-F344 PolarHBondContact O-N 2.76Å; F344-I378 HydrophobicContact CD2-CB 4.28Å; F344-I378 HydrophobicContact CD2-CG2 3.94Å; F344-I378 HydrophobicContact CE2-CG2 4.18Å; F344-F380 HydrophobicContact CE2-CB 3.45Å; F344-F380 VanDerWaalsContact CE2-CB 3.45Å; F344-F380 HydrophobicContact CE2-CG 4.21Å; F344-F380 HydrophobicContact CZ-CB 3.59Å; F344-F380 HydrophobicContact CZ-CD1 4.07Å; F344-F380 HydrophobicContact CZ-CG 4.02Å
345	F	93.8	Very high	88.6	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	116.3	175.5	-63.9	-86.4	0	0	0	109.3	I273 P275 P343 L367 A370 A371 H374 A377 I378 I379 F380	I273-F345 HydrophobicContact CG2-CD1 3.79Å; I273-F345 HydrophobicContact CG2-CE1 4.27Å; P275-F345 HydrophobicContact CB-CE1 4.16Å; P275-F345 HydrophobicContact CB-CZ 4.12Å; P343-F345 HydrophobicContact CB-CE2 4.02Å; F345-L367 HydrophobicContact CB-CD1 3.84Å; F345-L367 HydrophobicContact CG-CD1 4.49Å; F345-A370 HydrophobicContact CE1-CB 4.23Å; F345-A371 HydrophobicContact CD2-CB 3.96Å; F345-A371 HydrophobicContact CE2-CB 4.08Å; F345-H374 HydrophobicContact CE2-CB 4.16Å; F345-H374 HydrophobicContact CZ-CB 4.07Å; F345-H374 AromaticContact CZ-ND1 3.79Å; F345-A377 HydrophobicContact CD2-CB 4.3Å; F345-A377 HydrophobicContact CE2-CB 3.99Å; F345-I378 PolarHBondContact N-O 3.42Å; F345-I379 CarbonylContact O-C 3.3Å; F345-I379 WeakPolarHBondContact O-CA 3.4Å; F345-F380 PolarHBondContact O-N 2.98Å
346	S	92.5	Very high	87.7	Confident	45 Å²	45	45.5 Å²	45.5	32%	0.315	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.5	-177.9	-168.4	0	0	0	0	110.3	F380	S346-F380 WeakPolarHBondContact CA-O 3.38Å
347	M	91.8	Very high	86.7	Confident	21 Å²	21	48 Å²	48	10%	0.103	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	146.6	170.2	-69.3	-168	67.3	0	0	110	I273 Q351 F352 L367 F380 I381 D382	I273-M347 HydrophobicContact CD1-SD 4.2Å; M347-Q351 HydrophobicContact CE-CB 4.3Å; M347-F352 HydrophobicContact CB-CE2 4.04Å; M347-F352 HydrophobicContact CB-CZ 3.76Å; M347-F352 HydrophobicContact CE-CD1 4.34Å; M347-F352 HydrophobicContact CE-CE1 3.61Å; M347-F352 HydrophobicContact CE-CE2 4.46Å; M347-F352 HydrophobicContact CE-CZ 3.68Å; M347-F352 HydrophobicContact CG-CZ 4.32Å; M347-F352 HydrophobicContact SD-CE1 3.87Å; M347-F352 HydrophobicContact SD-CZ 3.69Å; M347-L367 HydrophobicContact CG-CD1 4.2Å; M347-L367 HydrophobicContact CG-CD2 4.32Å; M347-L367 HydrophobicContact SD-CB 4.24Å; M347-L367 HydrophobicContact SD-CD1 3.9Å; M347-L367 HydrophobicContact SD-CD2 3.84Å; M347-L367 HydrophobicContact SD-CG 4.22Å; M347-F380 PolarHBondContact N-O 3.17Å; M347-I381 WeakPolarHBondContact O-CA 3.39Å; M347-D382 PolarHBondContact O-N 2.79Å
348	A	91.5	Very high	86.2	Confident	31 Å²	31	48.8 Å²	48.8	26%	0.256	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	139.5	173.2	0	0	0	0	0	109.3	P350 Q351	A348-P350 VanDerWaalsContact C-CD 3.48Å; A348-P350 VanDerWaalsContact C-N 3.35Å; A348-Q351 HydrophobicContact CB-CG 4.24Å; A348-Q351 WeakPolarHBondContact O-CB 3.09Å; A348-Q351 WeakPolarHBondContact O-CG 3.29Å; A348-Q351 PolarHBondContact O-N 2.77Å
349	G	86.4	Confident	85.8	Confident	0 Å²	0	50 Å²	50	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-51.9	-42.6	-178.3	0	0	0	0	0	114.5	Q351 F352 D382 S386 V387	G349-Q351 PolarHBondContact O-N 3.45Å; G349-F352 WeakPolarHBondContact O-CD2 3.37Å; G349-F352 PolarHBondContact O-N 3.27Å; G349-D382 WeakPolarHBondContact CA-O 3.35Å; G349-D382 PolarHBondContact N-O 2.66Å; G349-S386 WeakPolarHBondContact CA-OG 3.27Å; G349-S386 PolarHBondContact O-OG 2.94Å; G349-V387 WeakPolarHBondContact O-CG1 3.39Å
350	P	87.2	Confident	85.6	Confident	61 Å²	61	47.3 Å²	47.3	40%	0.396	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-58.9	-21	176	-27.5	35.6	0	0	0	114.6	A348 F352 V353 E383 S386	A348-P350 VanDerWaalsContact C-CD 3.48Å; A348-P350 VanDerWaalsContact C-N 3.35Å; P350-F352 PolarHBondContact O-N 2.85Å; P350-V353 PolarHBondContact O-N 3.39Å; P350-E383 WeakPolarHBondContact CD-OE2 3.42Å; P350-E383 VanDerWaalsContact CG-OE2 3.27Å; P350-E383 WeakPolarHBondContact CG-OE2 3.3Å; P350-S386 WeakPolarHBondContact CD-OG 3.15Å
351	Q	86.5	Confident	85.5	Confident	96 Å²	96	47 Å²	47	45%	0.449	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-72.3	-10.6	177	-60	175.9	-9.8	0	0	113.3	M347 A348 G349 R363	M347-Q351 HydrophobicContact CE-CB 4.3Å; A348-Q351 HydrophobicContact CB-CG 4.24Å; A348-Q351 WeakPolarHBondContact O-CB 3.09Å; A348-Q351 WeakPolarHBondContact O-CG 3.29Å; A348-Q351 PolarHBondContact O-N 2.77Å; G349-Q351 PolarHBondContact O-N 3.45Å; Q351-R363 PolarHBondContact O-NH1 2.71Å
352	F	84.7	Confident	85.5	Confident	2 Å²	2	42 Å²	42	1%	0.009	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-95.9	-8	173.2	-55.1	-77.9	0	0	0	112.7	M347 G349 P350 G360 R363 L364 L367 I381 V387 T407	M347-F352 HydrophobicContact CB-CE2 4.04Å; M347-F352 HydrophobicContact CB-CZ 3.76Å; M347-F352 HydrophobicContact CE-CD1 4.34Å; M347-F352 HydrophobicContact CE-CE1 3.61Å; M347-F352 HydrophobicContact CE-CE2 4.46Å; M347-F352 HydrophobicContact CE-CZ 3.68Å; M347-F352 HydrophobicContact CG-CZ 4.32Å; M347-F352 HydrophobicContact SD-CE1 3.87Å; M347-F352 HydrophobicContact SD-CZ 3.69Å; G349-F352 WeakPolarHBondContact O-CD2 3.37Å; G349-F352 PolarHBondContact O-N 3.27Å; P350-F352 PolarHBondContact O-N 2.85Å; F352-G360 WeakPolarHBondContact O-CA 3.35Å; F352-R363 HydrophobicContact CD1-CB 4.08Å; F352-R363 HydrophobicContact CE1-CB 4.23Å; F352-L364 HydrophobicContact CD1-CB 4.44Å; F352-L364 HydrophobicContact CE1-CB 4.33Å; F352-L367 HydrophobicContact CZ-CD2 4Å; F352-I381 HydrophobicContact CE2-CG2 4.2Å; F352-V387 HydrophobicContact CB-CG1 3.69Å; F352-V387 HydrophobicContact CD2-CG1 4Å; F352-V387 HydrophobicContact CG-CG1 4.26Å; F352-T407 HydrophobicContact CB-CG2 3.84Å
353	V	82	Confident	85.5	Confident	63 Å²	63	44.4 Å²	44.4	38%	0.382	27%	0.266	S	S	.	.			trans	-91.5	106.4	177	-173.2	0	0	0	0	107.7	P350 V387 L404	P350-V353 PolarHBondContact O-N 3.39Å; V353-V387 HydrophobicContact CG2-CG1 4.45Å; V353-L404 HydrophobicContact CB-CD2 4.37Å; V353-L404 HydrophobicContact CG1-CD2 3.99Å; V353-L404 HydrophobicContact CG2-CD2 3.61Å
354	E	75.6	Confident	85.4	Confident	67 Å²	67	42.4 Å²	42.4	31%	0.313	25%	0.253	S	S	.	.			trans	-113.2	175.6	178.3	-72.8	-71.4	172	0	0	110	L359 R363 E403	E354-L359 HydrophobicContact CB-CB 4.22Å; E354-L359 HydrophobicContact CB-CD1 4.48Å; E354-L359 HydrophobicContact CG-CB 4.16Å; E354-L359 HydrophobicContact CG-CD1 4.49Å; E354-R363 IonicContact OE1-CZ 2.83Å; E354-R363 IonicContact OE1-NH1 3.62Å; E354-R363 PolarHBondContact OE1-NH1 3.37Å; E354-R363 IonicContact OE1-NH2 2.73Å; E354-R363 PolarHBondContact OE1-NH2 2.94Å; E354-E403 WeakPolarHBondContact CA-OE1 3.41Å; E354-E403 WeakPolarHBondContact CB-OE1 3.36Å; E354-E403 PolarHBondContact N-OE1 3.43Å; E354-E403 VanDerWaalsContact O-OE1 3.1Å
355	V	70.6	Confident	85.3	Confident	141 Å²	141	47.8 Å²	47.8	86%	0.855	27%	0.273	S	S	*	.	S	Bend	trans	-86.9	-20	171.4	-178.2	0	0	0	0	110.6
356	V	74	Confident	85.1	Confident	90 Å²	90	49.9 Å²	49.9	55%	0.545	28%	0.283	S	S	.	.	S	Bend	trans	-102.5	108.2	-176.3	-178.2	0	0	0	0	108.5	G358 L359	V356-G358 PolarHBondContact O-N 3.24Å; V356-L359 HydrophobicContact CB-CD1 3.66Å; V356-L359 HydrophobicContact CB-CG 4.07Å; V356-L359 HydrophobicContact CG1-CD1 4.09Å; V356-L359 HydrophobicContact CG1-CG 4.11Å; V356-L359 HydrophobicContact CG2-CD1 4.31Å; V356-L359 PolarHBondContact O-N 3.38Å
357	G	73.4	Confident	85.1	Confident	52 Å²	52	47.8 Å²	47.8	54%	0.536	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	134.5	178.5	0	0	0	0	0	113	L359	G357-L359 PolarHBondContact O-N 3.21Å
358	G	80.2	Confident	85.1	Confident	19 Å²	19	46.8 Å²	46.8	20%	0.196	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	-13.8	176.3	0	0	0	0	0	115.9	V356 A361 L362	V356-G358 PolarHBondContact O-N 3.24Å; G358-A361 PolarHBondContact O-N 3.46Å; G358-L362 PolarHBondContact O-N 2.91Å; G358-L362 VanDerWaalsContact O-N 3.07Å
359	L	85.2	Confident	85.1	Confident	65 Å²	65	48.8 Å²	48.8	34%	0.34	28%	0.275	S	S	.	.	H	α-helix	trans	-64.6	-39.6	173.8	-73.5	-176.8	0	0	0	111.9	E354 V356 G357 A361 L362 R363	E354-L359 HydrophobicContact CB-CB 4.22Å; E354-L359 HydrophobicContact CB-CD1 4.48Å; E354-L359 HydrophobicContact CG-CB 4.16Å; E354-L359 HydrophobicContact CG-CD1 4.49Å; V356-L359 HydrophobicContact CB-CD1 3.66Å; V356-L359 HydrophobicContact CB-CG 4.07Å; V356-L359 HydrophobicContact CG1-CD1 4.09Å; V356-L359 HydrophobicContact CG1-CG 4.11Å; V356-L359 HydrophobicContact CG2-CD1 4.31Å; V356-L359 PolarHBondContact O-N 3.38Å; G357-L359 PolarHBondContact O-N 3.21Å; L359-A361 PolarHBondContact O-N 3.47Å; L359-L362 PolarHBondContact O-N 3Å; L359-R363 PolarHBondContact O-N 3.34Å
360	G	86.6	Confident	85.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-55.8	-50.7	174.8	0	0	0	0	0	112.4	F352 L362 R363 L364	F352-G360 WeakPolarHBondContact O-CA 3.35Å; G360-L362 VanDerWaalsContact C-N 3.35Å; G360-L362 PolarHBondContact O-N 3.45Å; G360-R363 PolarHBondContact O-N 2.85Å; G360-L364 PolarHBondContact O-N 2.94Å; G360-L364 VanDerWaalsContact O-N 3.08Å
361	A	88	Confident	85.6	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.008	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-39.3	176.1	0	0	0	0	0	112.8	G358 L359 L364 R365 Q406 Q410	G358-A361 PolarHBondContact O-N 3.46Å; L359-A361 PolarHBondContact O-N 3.47Å; A361-L364 PolarHBondContact O-N 3.01Å; A361-R365 WeakPolarHBondContact O-CG 3.39Å; A361-R365 PolarHBondContact O-N 2.79Å; A361-R365 VanDerWaalsContact O-N 3.1Å; A361-Q406 HydrophobicContact CB-CG 4.37Å; A361-Q410 HydrophobicContact CB-CB 3.82Å; A361-Q410 HydrophobicContact CB-CG 3.99Å
362	L	90.2	Very high	85.7	Confident	64 Å²	64	46.7 Å²	46.7	34%	0.335	26%	0.26	S	S	.	.	H	α-helix	trans	-64.5	-45.4	176.9	-179.2	65.8	0	0	0	112.2	G358 L359 G360 L364 R365 Q366	G358-L362 PolarHBondContact O-N 2.91Å; G358-L362 VanDerWaalsContact O-N 3.07Å; L359-L362 PolarHBondContact O-N 3Å; G360-L362 VanDerWaalsContact C-N 3.35Å; G360-L362 PolarHBondContact O-N 3.45Å; L362-L364 VanDerWaalsContact C-N 3.26Å; L362-L364 PolarHBondContact O-N 2.81Å; L362-R365 PolarHBondContact O-N 3.26Å; L362-Q366 WeakPolarHBondContact O-CG 3.4Å; L362-Q366 PolarHBondContact O-N 3.31Å
363	R	89.1	Confident	86	Confident	69 Å²	69	50.8 Å²	50.8	26%	0.26	29%	0.288	S	S	.	.	H	α-helix	trans	-60.2	-39.2	176.6	-74.6	-175	-178.8	162	10.4	111.5	Q351 F352 E354 L359 G360 Q366 L367	Q351-R363 PolarHBondContact O-NH1 2.71Å; F352-R363 HydrophobicContact CD1-CB 4.08Å; F352-R363 HydrophobicContact CE1-CB 4.23Å; E354-R363 IonicContact OE1-CZ 2.83Å; E354-R363 IonicContact OE1-NH1 3.62Å; E354-R363 PolarHBondContact OE1-NH1 3.37Å; E354-R363 IonicContact OE1-NH2 2.73Å; E354-R363 PolarHBondContact OE1-NH2 2.94Å; L359-R363 PolarHBondContact O-N 3.34Å; G360-R363 PolarHBondContact O-N 2.85Å; R363-Q366 PolarHBondContact O-N 3.13Å; R363-L367 WeakPolarHBondContact O-CB 3.46Å; R363-L367 PolarHBondContact O-N 3.36Å
364	L	90.4	Very high	86.3	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-63.5	-45.6	177.5	-155.7	147.9	0	0	0	111.3	F352 G360 A361 L362 Q366 L367 F368 T407 Q410 L411 E414	F352-L364 HydrophobicContact CD1-CB 4.44Å; F352-L364 HydrophobicContact CE1-CB 4.33Å; G360-L364 PolarHBondContact O-N 2.94Å; G360-L364 VanDerWaalsContact O-N 3.08Å; A361-L364 PolarHBondContact O-N 3.01Å; L362-L364 VanDerWaalsContact C-N 3.26Å; L362-L364 PolarHBondContact O-N 2.81Å; L364-Q366 VanDerWaalsContact C-N 3.31Å; L364-Q366 PolarHBondContact O-N 2.76Å; L364-L367 WeakPolarHBondContact O-CB 3.4Å; L364-L367 PolarHBondContact O-N 2.93Å; L364-F368 HydrophobicContact CD2-CD2 3.61Å; L364-F368 HydrophobicContact CD2-CE2 3.47Å; L364-F368 VanDerWaalsContact CD2-CE2 3.47Å; L364-F368 HydrophobicContact CD2-CZ 4.48Å; L364-F368 HydrophobicContact CG-CD2 4.34Å; L364-F368 HydrophobicContact CG-CE2 4.16Å; L364-F368 VanDerWaalsContact O-CD2 3.31Å; L364-F368 WeakPolarHBondContact O-CD2 3.44Å; L364-F368 PolarHBondContact O-N 2.65Å; L364-F368 VanDerWaalsContact O-N 3.09Å; L364-T407 HydrophobicContact CD1-CG2 4.39Å; L364-Q410 HydrophobicContact CB-CG 4.5Å; L364-Q410 HydrophobicContact CD2-CG 4.31Å; L364-L411 HydrophobicContact CD1-CB 3.6Å; L364-L411 HydrophobicContact CD1-CD1 4.01Å; L364-L411 HydrophobicContact CD1-CG 4.26Å; L364-L411 HydrophobicContact CD2-CB 4.22Å; L364-L411 HydrophobicContact CD2-CD1 4.06Å; L364-L411 HydrophobicContact CG-CD1 4.43Å; L364-E414 HydrophobicContact CD2-CB 4.12Å; L364-E414 HydrophobicContact CD2-CG 3.71Å
365	R	91.4	Very high	86.8	Confident	114 Å²	114	51.3 Å²	51.3	43%	0.43	29%	0.293	S	S	.	.	H	α-helix	trans	-58.1	-42.9	173	-68.3	179.6	-167.6	144.6	5.6	112.5	A361 L362 F368 S369 Q410	A361-R365 WeakPolarHBondContact O-CG 3.39Å; A361-R365 PolarHBondContact O-N 2.79Å; A361-R365 VanDerWaalsContact O-N 3.1Å; L362-R365 PolarHBondContact O-N 3.26Å; R365-F368 PolarHBondContact O-N 2.99Å; R365-S369 VanDerWaalsContact O-CB 3.31Å; R365-S369 WeakPolarHBondContact O-CB 2.86Å; R365-S369 PolarHBondContact O-N 3.05Å; R365-Q410 HydrophobicContact CG-CG 3.98Å; R365-Q410 VanDerWaalsContact CG-NE2 3.35Å; R365-Q410 VanDerWaalsContact CZ-OE1 3.29Å
366	Q	91.1	Very high	87.7	Confident	45 Å²	45	47.3 Å²	47.3	21%	0.21	27%	0.27	C	S	.	.	H	α-helix	trans	-64.8	-40	178.8	-71.2	172.2	-6.1	0	0	112	I273 L362 R363 L364 S369 A370	I273-Q366 HydrophobicContact CD1-CB 3.95Å; L362-Q366 WeakPolarHBondContact O-CG 3.4Å; L362-Q366 PolarHBondContact O-N 3.31Å; R363-Q366 PolarHBondContact O-N 3.13Å; L364-Q366 VanDerWaalsContact C-N 3.31Å; L364-Q366 PolarHBondContact O-N 2.76Å; Q366-S369 PolarHBondContact O-N 2.89Å; Q366-A370 VanDerWaalsContact O-CB 3.28Å; Q366-A370 WeakPolarHBondContact O-CB 3.25Å; Q366-A370 PolarHBondContact O-N 3.25Å
367	L	92	Very high	88.6	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.9	-50.3	176.4	177.3	64.2	0	0	0	111	I273 F345 M347 F352 R363 L364 A370 A371 I379	I273-L367 HydrophobicContact CD1-CB 3.87Å; I273-L367 HydrophobicContact CD1-CD1 4.41Å; I273-L367 HydrophobicContact CG2-CD1 4Å; F345-L367 HydrophobicContact CB-CD1 3.84Å; F345-L367 HydrophobicContact CG-CD1 4.49Å; M347-L367 HydrophobicContact CG-CD1 4.2Å; M347-L367 HydrophobicContact CG-CD2 4.32Å; M347-L367 HydrophobicContact SD-CB 4.24Å; M347-L367 HydrophobicContact SD-CD1 3.9Å; M347-L367 HydrophobicContact SD-CD2 3.84Å; M347-L367 HydrophobicContact SD-CG 4.22Å; F352-L367 HydrophobicContact CZ-CD2 4Å; R363-L367 WeakPolarHBondContact O-CB 3.46Å; R363-L367 PolarHBondContact O-N 3.36Å; L364-L367 WeakPolarHBondContact O-CB 3.4Å; L364-L367 PolarHBondContact O-N 2.93Å; L367-A370 PolarHBondContact O-N 3.42Å; L367-A371 WeakPolarHBondContact O-CB 3.46Å; L367-A371 PolarHBondContact O-N 3.46Å; L367-I379 HydrophobicContact CD1-CG2 4.29Å; L367-I379 HydrophobicContact CD2-CG2 3.66Å; L367-I379 HydrophobicContact CG-CG2 3.96Å
368	F	92.2	Very high	89.5	Confident	1 Å²	1	40.5 Å²	40.5	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-67	-37.4	178.2	-82.2	-101.9	0	0	0	112.2	L364 R365 R372 I379 L411 E414 M415 M418 V426	L364-F368 HydrophobicContact CD2-CD2 3.61Å; L364-F368 HydrophobicContact CD2-CE2 3.47Å; L364-F368 VanDerWaalsContact CD2-CE2 3.47Å; L364-F368 HydrophobicContact CD2-CZ 4.48Å; L364-F368 HydrophobicContact CG-CD2 4.34Å; L364-F368 HydrophobicContact CG-CE2 4.16Å; L364-F368 VanDerWaalsContact O-CD2 3.31Å; L364-F368 WeakPolarHBondContact O-CD2 3.44Å; L364-F368 PolarHBondContact O-N 2.65Å; L364-F368 VanDerWaalsContact O-N 3.09Å; R365-F368 PolarHBondContact O-N 2.99Å; F368-R372 WeakPolarHBondContact O-CB 3.42Å; F368-R372 VanDerWaalsContact O-CG 3.29Å; F368-R372 WeakPolarHBondContact O-CG 3.46Å; F368-R372 PolarHBondContact O-N 3.08Å; F368-R372 PolarHBondContact O-NE 2.95Å; F368-I379 HydrophobicContact CD1-CD1 3.94Å; F368-I379 HydrophobicContact CD2-CD1 4.24Å; F368-I379 HydrophobicContact CE1-CD1 4.12Å; F368-I379 HydrophobicContact CE2-CD1 4.4Å; F368-I379 HydrophobicContact CG-CD1 4.03Å; F368-I379 HydrophobicContact CZ-CD1 4.35Å; F368-L411 HydrophobicContact CE2-CD1 3.82Å; F368-L411 HydrophobicContact CZ-CD1 3.78Å; F368-E414 HydrophobicContact CB-CB 4.43Å; F368-E414 HydrophobicContact CB-CG 4.26Å; F368-E414 WeakPolarHBondContact CB-OE2 3.48Å; F368-E414 HydrophobicContact CD1-CB 3.72Å; F368-E414 HydrophobicContact CD1-CG 4.44Å; F368-E414 HydrophobicContact CD2-CB 3.94Å; F368-E414 HydrophobicContact CD2-CG 4.08Å; F368-E414 HydrophobicContact CE1-CB 3.81Å; F368-E414 HydrophobicContact CE2-CB 4.05Å; F368-E414 HydrophobicContact CG-CB 3.77Å; F368-E414 HydrophobicContact CG-CG 4.01Å; F368-E414 HydrophobicContact CZ-CB 3.97Å; F368-M415 HydrophobicContact CZ-CG 4.24Å; F368-M418 HydrophobicContact CD1-CG 4.22Å; F368-M418 HydrophobicContact CD1-SD 3.85Å; F368-M418 HydrophobicContact CE1-CE 4.21Å; F368-M418 HydrophobicContact CE1-CG 4.25Å; F368-M418 HydrophobicContact CE1-SD 3.56Å; F368-M418 VanDerWaalsContact CE1-SD 3.56Å; F368-V426 HydrophobicContact CE1-CG2 3.75Å; F368-V426 HydrophobicContact CZ-CG2 3.89Å
369	S	91.3	Very high	90.2	Very high	72 Å²	72	39.6 Å²	39.6	50%	0.503	21%	0.209	S	C	.	.	H	α-helix	trans	-64.7	-41.9	174.9	-174.5	0	0	0	0	112.2	R365 Q366 S373	R365-S369 VanDerWaalsContact O-CB 3.31Å; R365-S369 WeakPolarHBondContact O-CB 2.86Å; R365-S369 PolarHBondContact O-N 3.05Å; Q366-S369 PolarHBondContact O-N 2.89Å; S369-S373 PolarHBondContact O-N 3.21Å; S369-S373 VanDerWaalsContact O-N 3.12Å
370	A	91.1	Very high	90.7	Very high	18 Å²	18	36.5 Å²	36.5	15%	0.149	19%	0.193	C	C	.	.	H	α-helix	trans	-69.7	-36.5	178.4	0	0	0	0	0	112	I273 F345 Q366 L367 S373 H374	I273-A370 HydrophobicContact CB-CB 4.39Å; F345-A370 HydrophobicContact CE1-CB 4.23Å; Q366-A370 VanDerWaalsContact O-CB 3.28Å; Q366-A370 WeakPolarHBondContact O-CB 3.25Å; Q366-A370 PolarHBondContact O-N 3.25Å; L367-A370 PolarHBondContact O-N 3.42Å; A370-S373 PolarHBondContact O-OG 2.87Å; A370-H374 PolarHBondContact O-N 2.98Å; A370-H374 PolarHBondContact O-ND1 3.01Å
371	A	91.3	Very high	91.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-67.2	-43.7	174.5	0	0	0	0	0	111.9	F345 L367 S373 H374 S375 A377 I379 V424	F345-A371 HydrophobicContact CD2-CB 3.96Å; F345-A371 HydrophobicContact CE2-CB 4.08Å; L367-A371 WeakPolarHBondContact O-CB 3.46Å; L367-A371 PolarHBondContact O-N 3.46Å; A371-S373 VanDerWaalsContact C-N 3.31Å; A371-S373 PolarHBondContact O-N 2.61Å; A371-H374 CarbonylContact O-C 3.48Å; A371-H374 PolarHBondContact O-N 2.94Å; A371-H374 VanDerWaalsContact O-N 3.07Å; A371-S375 PolarHBondContact O-N 2.95Å; A371-A377 HydrophobicContact CB-CB 4.45Å; A371-I379 HydrophobicContact CB-CD1 3.47Å; A371-I379 VanDerWaalsContact CB-CD1 3.47Å; A371-I379 HydrophobicContact CB-CG1 3.52Å; A371-V424 HydrophobicContact CB-CG1 4.15Å
372	R	90.2	Very high	91.4	Very high	96 Å²	96	38.6 Å²	38.6	36%	0.362	20%	0.203	S	C	.	.	H	α-helix	trans	-60.5	-38.2	176	-77.4	-176.1	-79.7	175.2	-12.5	112.6	F368 H374 S375 E414 E422 V424	F368-R372 WeakPolarHBondContact O-CB 3.42Å; F368-R372 VanDerWaalsContact O-CG 3.29Å; F368-R372 WeakPolarHBondContact O-CG 3.46Å; F368-R372 PolarHBondContact O-N 3.08Å; F368-R372 PolarHBondContact O-NE 2.95Å; R372-H374 PolarHBondContact O-N 2.84Å; R372-S375 PolarHBondContact O-N 3.27Å; R372-E414 IonicContact CZ-OE2 2.91Å; R372-E414 IonicContact NH2-OE2 3.21Å; R372-E414 PolarHBondContact NH2-OE2 3.2Å; R372-E422 VanDerWaalsContact CD-OE2 3.29Å; R372-E422 WeakPolarHBondContact CD-OE2 3.47Å; R372-V424 HydrophobicContact CG-CG2 4.26Å
373	S	90.1	Very high	91.4	Very high	88 Å²	88	39.9 Å²	39.9	62%	0.615	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.8	176.8	73.7	0	0	0	0	114.1	S369 A370 A371	S369-S373 PolarHBondContact O-N 3.21Å; S369-S373 VanDerWaalsContact O-N 3.12Å; A370-S373 PolarHBondContact O-OG 2.87Å; A371-S373 VanDerWaalsContact C-N 3.31Å; A371-S373 PolarHBondContact O-N 2.61Å
374	H	89.1	Confident	91.6	Very high	82 Å²	82	36.6 Å²	36.6	38%	0.38	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	22.1	179.6	-65.6	88.4	0	0	0	112.4	P343 F345 A370 A371 R372 P376	P343-H374 HydrophobicContact CB-CB 4.28Å; P343-H374 HydrophobicContact CG-CB 4.15Å; F345-H374 HydrophobicContact CE2-CB 4.16Å; F345-H374 HydrophobicContact CZ-CB 4.07Å; F345-H374 AromaticContact CZ-ND1 3.79Å; A370-H374 PolarHBondContact O-N 2.98Å; A370-H374 PolarHBondContact O-ND1 3.01Å; A371-H374 CarbonylContact O-C 3.48Å; A371-H374 PolarHBondContact O-N 2.94Å; A371-H374 VanDerWaalsContact O-N 3.07Å; R372-H374 PolarHBondContact O-N 2.84Å; H374-P376 CarbonylContact O-C 3.59Å
375	S	85.7	Confident	91.6	Very high	58 Å²	58	38.1 Å²	38.1	41%	0.406	20%	0.203	S	C	.	.			trans	-59.2	140.5	179.7	166	0	0	0	0	112.7	A371 R372 E422	A371-S375 PolarHBondContact O-N 2.95Å; R372-S375 PolarHBondContact O-N 3.27Å; S375-E422 VanDerWaalsContact CB-O 3.23Å; S375-E422 WeakPolarHBondContact CB-O 3.38Å; S375-E422 PolarHBondContact OG-O 2.81Å
376	P	89.6	Confident	91.3	Very high	57 Å²	57	34.2 Å²	34.2	37%	0.37	19%	0.194	S	C	.	.	S	Bend	cis	-72.7	138.8	-2.4	29.1	-34.4	0	0	0	111.8	L302 V342 P343 H374 G423	L302-P376 HydrophobicContact CD2-CB 4.01Å; V342-P376 WeakPolarHBondContact CB-O 3.45Å; V342-P376 HydrophobicContact CG1-CB 4.16Å; V342-P376 HydrophobicContact CG1-CG 3.93Å; P343-P376 VanDerWaalsContact CD-O 3.31Å; P343-P376 WeakPolarHBondContact CD-O 3.37Å; H374-P376 CarbonylContact O-C 3.59Å; P376-G423 VanDerWaalsContact CA-O 3.31Å; P376-G423 WeakPolarHBondContact CA-O 3.43Å; P376-G423 WeakPolarHBondContact CB-O 3.48Å
377	A	92	Very high	91	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	160.1	-173.7	0	0	0	0	0	112.6	P343 F345 A371 G423 V424 I425	P343-A377 HydrophobicContact CB-CB 4.48Å; F345-A377 HydrophobicContact CD2-CB 4.3Å; F345-A377 HydrophobicContact CE2-CB 3.99Å; A371-A377 HydrophobicContact CB-CB 4.45Å; A377-G423 PolarHBondContact N-O 3.14Å; A377-G423 VanDerWaalsContact N-O 3.16Å; A377-V424 WeakPolarHBondContact O-CA 3.22Å; A377-I425 PolarHBondContact O-N 2.71Å; A377-I425 VanDerWaalsContact O-N 3.1Å
378	I	93.5	Very high	90.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.5	175.5	-66.3	155.7	0	0	0	110	L302 V333 L336 A337 V342 P343 F344 F345 I425 F427	L302-I378 HydrophobicContact CD1-CD1 3.96Å; L302-I378 HydrophobicContact CD1-CG1 4.09Å; V333-I378 HydrophobicContact CG1-CG2 3.98Å; L336-I378 HydrophobicContact CD2-CD1 3.11Å; L336-I378 HydrophobicContact CD2-CG1 4.13Å; A337-I378 HydrophobicContact CB-CD1 3.61Å; V342-I378 HydrophobicContact CG2-CD1 3.28Å; V342-I378 HydrophobicContact CG2-CG1 3.75Å; P343-I378 PolarHBondContact O-N 3.05Å; F344-I378 HydrophobicContact CD2-CB 4.28Å; F344-I378 HydrophobicContact CD2-CG2 3.94Å; F344-I378 HydrophobicContact CE2-CG2 4.18Å; F345-I378 PolarHBondContact N-O 3.42Å; I378-I425 WeakPolarHBondContact CA-O 3.32Å; I378-F427 HydrophobicContact CG2-CD2 3.76Å; I378-F427 HydrophobicContact CG2-CE2 4.22Å
379	I	94.5	Very high	89.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.5	169.1	-55.6	178.8	0	0	0	108	F345 L367 F368 A371 I381 V424 I425 V426 F427	F345-I379 CarbonylContact O-C 3.3Å; F345-I379 WeakPolarHBondContact O-CA 3.4Å; L367-I379 HydrophobicContact CD1-CG2 4.29Å; L367-I379 HydrophobicContact CD2-CG2 3.66Å; L367-I379 HydrophobicContact CG-CG2 3.96Å; F368-I379 HydrophobicContact CD1-CD1 3.94Å; F368-I379 HydrophobicContact CD2-CD1 4.24Å; F368-I379 HydrophobicContact CE1-CD1 4.12Å; F368-I379 HydrophobicContact CE2-CD1 4.4Å; F368-I379 HydrophobicContact CG-CD1 4.03Å; F368-I379 HydrophobicContact CZ-CD1 4.35Å; A371-I379 HydrophobicContact CB-CD1 3.47Å; A371-I379 VanDerWaalsContact CB-CD1 3.47Å; A371-I379 HydrophobicContact CB-CG1 3.52Å; I379-I381 HydrophobicContact CG2-CG1 4.28Å; I379-V424 HydrophobicContact CD1-CG1 3.94Å; I379-V424 HydrophobicContact CG1-CG1 4.09Å; I379-I425 PolarHBondContact N-O 3.5Å; I379-V426 HydrophobicContact CB-CG1 4.48Å; I379-V426 HydrophobicContact CB-CG2 4.26Å; I379-V426 HydrophobicContact CD1-CG2 4.23Å; I379-V426 HydrophobicContact CG2-CG1 4.5Å; I379-V426 CarbonylContact O-C 3.52Å; I379-V426 WeakPolarHBondContact O-CA 3.46Å; I379-F427 PolarHBondContact O-N 3.11Å
380	F	95.5	Very high	88.7	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122.7	174	179.6	-108.1	0	0	0	110.7	L321 T330 V333 F344 F345 S346 M347 D382 F427 A429	L321-F380 HydrophobicContact CD1-CE2 4.5Å; T330-F380 HydrophobicContact CG2-CD1 4.33Å; T330-F380 HydrophobicContact CG2-CE1 3.57Å; T330-F380 HydrophobicContact CG2-CZ 4.17Å; V333-F380 HydrophobicContact CB-CD2 4Å; V333-F380 HydrophobicContact CB-CE2 4.32Å; V333-F380 HydrophobicContact CB-CG 4.48Å; V333-F380 HydrophobicContact CG1-CB 4.29Å; V333-F380 HydrophobicContact CG1-CD2 4.01Å; V333-F380 HydrophobicContact CG1-CG 4.36Å; V333-F380 HydrophobicContact CG2-CD2 3.73Å; V333-F380 HydrophobicContact CG2-CE2 3.75Å; F344-F380 HydrophobicContact CE2-CB 3.45Å; F344-F380 VanDerWaalsContact CE2-CB 3.45Å; F344-F380 HydrophobicContact CE2-CG 4.21Å; F344-F380 HydrophobicContact CZ-CB 3.59Å; F344-F380 HydrophobicContact CZ-CD1 4.07Å; F344-F380 HydrophobicContact CZ-CG 4.02Å; F345-F380 PolarHBondContact O-N 2.98Å; S346-F380 WeakPolarHBondContact CA-O 3.38Å; M347-F380 PolarHBondContact N-O 3.17Å; F380-D382 HydrophobicContact CD1-CB 4.43Å; F380-D382 HydrophobicContact CE1-CB 3.64Å; F380-D382 HydrophobicContact CZ-CB 4.11Å; F380-F427 CarbonylContact C-O 3.42Å; F380-F427 VanDerWaalsContact CA-O 3.32Å; F380-F427 WeakPolarHBondContact CA-O 3.48Å; F380-F427 HydrophobicContact CD2-CB 3.75Å; F380-A429 HydrophobicContact CE2-CB 3.77Å; F380-A429 HydrophobicContact CZ-CB 3.67Å
381	I	94.6	Very high	87.6	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	104.1	176.3	-56.4	173.6	0	0	0	108	M347 F352 I379 L384 L411 V426 F427 G428 A429	M347-I381 WeakPolarHBondContact O-CA 3.39Å; F352-I381 HydrophobicContact CE2-CG2 4.2Å; I379-I381 HydrophobicContact CG2-CG1 4.28Å; I381-L384 HydrophobicContact CB-CD1 4.35Å; I381-L384 HydrophobicContact CG2-CD1 3.77Å; I381-L411 HydrophobicContact CD1-CD1 4Å; I381-V426 HydrophobicContact CD1-CG1 4.42Å; I381-F427 PolarHBondContact N-O 2.9Å; I381-G428 CarbonylContact O-C 3.57Å; I381-G428 WeakPolarHBondContact O-CA 3.33Å; I381-A429 PolarHBondContact O-N 3.16Å
382	D	93.8	Very high	86	Confident	43 Å²	43	53.1 Å²	53.1	23%	0.23	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	156.2	174.8	-146.3	-19.1	0	0	0	110.8	T330 M347 G349 F380 L384	T330-D382 PolarHBondContact OG1-OD2 3.1Å; M347-D382 PolarHBondContact O-N 2.79Å; G349-D382 WeakPolarHBondContact CA-O 3.35Å; G349-D382 PolarHBondContact N-O 2.66Å; F380-D382 HydrophobicContact CD1-CB 4.43Å; F380-D382 HydrophobicContact CE1-CB 3.64Å; F380-D382 HydrophobicContact CZ-CB 4.11Å; D382-L384 VanDerWaalsContact C-N 3.32Å; D382-L384 PolarHBondContact O-N 2.99Å
383	E	92.2	Very high	84.1	Confident	92 Å²	92	54.1 Å²	54.1	43%	0.43	28%	0.28	S	S	.	.	S	Bend	trans	48.5	48.1	179.8	-60.8	-176.8	167.4	0	0	113.9	P350 D385 S386 A429	P350-E383 WeakPolarHBondContact CD-OE2 3.42Å; P350-E383 VanDerWaalsContact CG-OE2 3.27Å; P350-E383 WeakPolarHBondContact CG-OE2 3.3Å; E383-D385 PolarHBondContact O-N 3.27Å; E383-S386 WeakPolarHBondContact O-CB 3.43Å; E383-S386 PolarHBondContact O-N 3.36Å; E383-S386 PolarHBondContact O-OG 3.36Å; E383-A429 PolarHBondContact N-O 3.07Å; E383-A429 VanDerWaalsContact N-O 3.12Å
384	L	92.1	Very high	82.3	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-56.9	-24.9	-175.3	-174.1	67.9	0	0	0	113.2	L320 I381 D382 S386 V387 G388 L411 A429 L436 L440 F446	L320-L384 HydrophobicContact CD1-CD2 3.59Å; I381-L384 HydrophobicContact CB-CD1 4.35Å; I381-L384 HydrophobicContact CG2-CD1 3.77Å; D382-L384 VanDerWaalsContact C-N 3.32Å; D382-L384 PolarHBondContact O-N 2.99Å; L384-S386 PolarHBondContact O-N 2.92Å; L384-V387 HydrophobicContact CD1-CG2 3.74Å; L384-V387 VanDerWaalsContact O-CG2 3.29Å; L384-V387 WeakPolarHBondContact O-CG2 3.08Å; L384-V387 PolarHBondContact O-N 2.98Å; L384-V387 VanDerWaalsContact O-N 3.15Å; L384-G388 WeakPolarHBondContact O-CA 3.35Å; L384-G388 PolarHBondContact O-N 3.18Å; L384-L411 HydrophobicContact CD1-CD2 3.93Å; L384-A429 PolarHBondContact N-O 3.48Å; L384-L436 HydrophobicContact CB-CD2 4.45Å; L384-L436 HydrophobicContact CD2-CD2 4.32Å; L384-L436 HydrophobicContact CG-CD2 4.16Å; L384-L440 HydrophobicContact CD2-CD1 4.3Å; L384-F446 HydrophobicContact CD2-CD2 4.26Å; L384-F446 HydrophobicContact CD2-CE2 3.67Å; L384-F446 HydrophobicContact CD2-CZ 3.99Å
385	D	89.6	Confident	80.2	Confident	33 Å²	33	59.3 Å²	59.3	18%	0.176	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-63.1	-18	176.8	50.4	-58.6	0	0	0	114.3	E383 T430 L435 L436	E383-D385 PolarHBondContact O-N 3.27Å; D385-T430 WeakPolarHBondContact CB-OG1 3.46Å; D385-T430 VanDerWaalsContact CG-OG1 3.26Å; D385-T430 PolarHBondContact OD1-OG1 3.42Å; D385-L435 HydrophobicContact CB-CB 4.48Å; D385-L436 HydrophobicContact CB-CD2 4.23Å
386	S	86.3	Confident	78.6	Confident	32 Å²	32	66.6 Å²	66.6	22%	0.224	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-69.8	-32.8	172.6	59.4	0	0	0	0	113.5	G349 P350 E383 L384	G349-S386 WeakPolarHBondContact CA-OG 3.27Å; G349-S386 PolarHBondContact O-OG 2.94Å; P350-S386 WeakPolarHBondContact CD-OG 3.15Å; E383-S386 WeakPolarHBondContact O-CB 3.43Å; E383-S386 PolarHBondContact O-N 3.36Å; E383-S386 PolarHBondContact O-OG 3.36Å; L384-S386 PolarHBondContact O-N 2.92Å
387	V	84.5	Confident	76.7	Confident	5 Å²	5	71.9 Å²	71.9	3%	0.03	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-24.5	178.3	-66.3	0	0	0	0	112.9	G349 F352 V353 L384 T407	G349-V387 WeakPolarHBondContact O-CG1 3.39Å; F352-V387 HydrophobicContact CB-CG1 3.69Å; F352-V387 HydrophobicContact CD2-CG1 4Å; F352-V387 HydrophobicContact CG-CG1 4.26Å; V353-V387 HydrophobicContact CG2-CG1 4.45Å; L384-V387 HydrophobicContact CD1-CG2 3.74Å; L384-V387 VanDerWaalsContact O-CG2 3.29Å; L384-V387 WeakPolarHBondContact O-CG2 3.08Å; L384-V387 PolarHBondContact O-N 2.98Å; L384-V387 VanDerWaalsContact O-N 3.15Å; V387-T407 HydrophobicContact CG1-CG2 4.34Å
388	G	78.1	Confident	74.8	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	38%	0.377	C	S	.	.	S	Bend	trans	-101	19.3	-171.2	0	0	0	0	0	115	L384 L436 D437	L384-G388 WeakPolarHBondContact O-CA 3.35Å; L384-G388 PolarHBondContact O-N 3.18Å; G388-L436 CarbonylContact O-C 3.53Å; G388-L436 WeakPolarHBondContact O-CA 3.45Å; G388-D437 PolarHBondContact O-N 2.81Å
389	R	79.6	Confident	72.9	Confident	147 Å²	147	83.6 Å²	83.6	56%	0.555	42%	0.419	S	S	*	.	B	Isolated β-bridge	trans	-69.3	140.7	-171.3	-166.1	170.9	176.9	-176.1	-2.6	112.9	L435	R389-L435 CarbonylContact C-O 3.39Å; R389-L435 VanDerWaalsContact CA-O 3.27Å; R389-L435 WeakPolarHBondContact CA-O 3.14Å; R389-L435 HydrophobicContact CG-CB 4.49Å
390	R	70.2	Confident	71.1	Confident	92 Å²	92	86 Å²	86	35%	0.347	44%	0.444	S	S	.	.			trans	-57.7	137	173	-73.8	-178.9	-177.2	-178.4	6.6	111.3	N392 L435 L436	R390-N392 VanDerWaalsContact C-N 3.26Å; R390-N392 PolarHBondContact O-N 3.06Å; R390-L435 PolarHBondContact N-O 3.48Å; R390-L436 WeakPolarHBondContact CG-O 3.35Å; R390-L436 PolarHBondContact NE-O 3.39Å
391	R	66.4	Low	69.5	Low	166 Å²	166	90.3 Å²	90.3	63%	0.626	47%	0.471	S	S	*	.			trans	-64.7	83	164	-70.9	175.7	-85	176.5	-9.3	109.3	S393 D437	R391-S393 PolarHBondContact O-N 3.36Å; R391-D437 IonicContact NH2-OD2 3.56Å
392	N	57.7	Low	68.3	Low	124 Å²	124	94.2 Å²	94.2	66%	0.663	50%	0.498	S	S	*	.			trans	-76.7	118.3	169	-77.3	2.7	0	0	0	108	R390 E394	R390-N392 VanDerWaalsContact C-N 3.26Å; R390-N392 PolarHBondContact O-N 3.06Å; N392-E394 PolarHBondContact O-N 3.39Å
393	S	50.8	Low	67.5	Low	117 Å²	117	93 Å²	93	82%	0.818	49%	0.491	S	S	*	.			trans	-65.9	67.2	-175.5	51.8	0	0	0	0	113.1	R391	R391-S393 PolarHBondContact O-N 3.36Å
394	E	52.3	Low	66.8	Low	146 Å²	146	91.2 Å²	91.2	68%	0.682	48%	0.484	S	S	*	.			trans	-123.1	108.1	157.8	-74.7	-164.9	175.6	0	0	109.1	N392 R396	N392-E394 PolarHBondContact O-N 3.39Å; E394-R396 PolarHBondContact O-N 3.28Å
395	P	45.2	Very low	66.3	Low	133 Å²	133	93.3 Å²	93.3	86%	0.864	50%	0.495	S	S	*	.			trans	-74.4	83.3	168.9	30.7	-29	0	0	0	107.9
396	R	52.8	Low	66.1	Low	210 Å²	210	96.2 Å²	96.2	79%	0.792	51%	0.508	S	S	*	.			trans	-107.2	100.5	161.9	-99.1	-178.2	160.4	171.3	-4.5	107.6	E394 G398	E394-R396 PolarHBondContact O-N 3.28Å; R396-G398 PolarHBondContact O-N 3.47Å
397	D	48.3	Very low	66.2	Low	168 Å²	168	94.8 Å²	94.8	90%	0.898	50%	0.498	S	S	*	.	S	Bend	trans	9.9	104.8	157.2	-56.5	-37.9	0	0	0	115.8
398	G	52.5	Low	66.4	Low	56 Å²	56	94.7 Å²	94.7	58%	0.577	50%	0.497	S	S	*	.			trans	166	113.1	168	0	0	0	0	0	114.8	R396 G400	R396-G398 PolarHBondContact O-N 3.47Å; G398-G400 PolarHBondContact O-N 2.96Å
399	E	54.5	Low	67	Low	190 Å²	190	98.7 Å²	98.7	89%	0.888	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-14.9	-174.9	-70.9	168.3	134.2	0	0	116.9	V401 S402	E399-V401 PolarHBondContact O-N 3.24Å; E399-S402 PolarHBondContact O-OG 2.79Å
400	G	56.3	Low	67.6	Low	51 Å²	51	92.7 Å²	92.7	53%	0.526	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-21	-174.7	0	0	0	0	0	116.5	G398 S402	G398-G400 PolarHBondContact O-N 2.96Å; G400-S402 VanDerWaalsContact C-N 3.26Å; G400-S402 PolarHBondContact O-N 2.89Å
401	V	61.3	Low	68.7	Low	91 Å²	91	88.4 Å²	88.4	55%	0.552	48%	0.48	S	S	*	.	H	α-helix	trans	-67.7	-30.3	-179.5	-177.7	0	0	0	0	111.6	E399 E403 L404 D405	E399-V401 PolarHBondContact O-N 3.24Å; V401-E403 PolarHBondContact O-N 3.48Å; V401-L404 PolarHBondContact O-N 2.87Å; V401-D405 PolarHBondContact O-N 3.48Å
402	S	70	Confident	69.9	Low	83 Å²	83	81 Å²	81	58%	0.58	45%	0.454	S	S	*	.	H	α-helix	trans	-65.7	-35.1	-175.9	70.4	0	0	0	0	113.8	E399 G400 Q406	E399-S402 PolarHBondContact O-OG 2.79Å; G400-S402 VanDerWaalsContact C-N 3.26Å; G400-S402 PolarHBondContact O-N 2.89Å; S402-Q406 PolarHBondContact O-N 3.5Å; S402-Q406 VanDerWaalsContact O-N 3.07Å
403	E	76.6	Confident	71.5	Confident	16 Å²	16	79.4 Å²	79.4	8%	0.075	45%	0.448	C	S	.	.	H	α-helix	trans	-72.1	-40.1	-178.7	-179.1	175.6	165.4	0	0	112.2	E354 V401 Q406 T407	E354-E403 WeakPolarHBondContact CA-OE1 3.41Å; E354-E403 WeakPolarHBondContact CB-OE1 3.36Å; E354-E403 PolarHBondContact N-OE1 3.43Å; E354-E403 VanDerWaalsContact O-OE1 3.1Å; V401-E403 PolarHBondContact O-N 3.48Å; E403-Q406 PolarHBondContact O-N 3.23Å; E403-T407 WeakPolarHBondContact O-CB 3.34Å; E403-T407 PolarHBondContact O-N 2.94Å; E403-T407 PolarHBondContact O-OG1 2.93Å
404	L	78.7	Confident	73.5	Confident	55 Å²	55	75 Å²	75	29%	0.288	41%	0.414	S	S	.	.	H	α-helix	trans	-62.7	-45.7	176.7	-65.9	175.9	0	0	0	110.4	V353 V401 Q406 T407 L408	V353-L404 HydrophobicContact CB-CD2 4.37Å; V353-L404 HydrophobicContact CG1-CD2 3.99Å; V353-L404 HydrophobicContact CG2-CD2 3.61Å; V401-L404 PolarHBondContact O-N 2.87Å; L404-Q406 VanDerWaalsContact C-N 3.33Å; L404-Q406 PolarHBondContact O-N 3.3Å; L404-T407 PolarHBondContact O-N 2.98Å; L404-L408 WeakPolarHBondContact O-CB 3.45Å; L404-L408 PolarHBondContact O-N 3.08Å
405	D	81	Confident	75.3	Confident	45 Å²	45	68 Å²	68	24%	0.241	38%	0.382	C	S	.	.	H	α-helix	trans	-61.3	-40.9	176.7	-78.9	-13.7	0	0	0	111.8	V401 N409	V401-D405 PolarHBondContact O-N 3.48Å; D405-N409 WeakPolarHBondContact O-CB 3.09Å; D405-N409 VanDerWaalsContact O-CG 3.24Å; D405-N409 PolarHBondContact O-N 3.05Å; D405-N409 PolarHBondContact O-ND2 3.48Å
406	Q	84.8	Confident	77.4	Confident	93 Å²	93	65.4 Å²	65.4	44%	0.435	36%	0.36	S	S	.	.	H	α-helix	trans	-63.8	-44.3	176.9	-172.9	-178.8	11.9	0	0	111.6	A361 S402 E403 L404 N409 Q410	A361-Q406 HydrophobicContact CB-CG 4.37Å; S402-Q406 PolarHBondContact O-N 3.5Å; S402-Q406 VanDerWaalsContact O-N 3.07Å; E403-Q406 PolarHBondContact O-N 3.23Å; L404-Q406 VanDerWaalsContact C-N 3.33Å; L404-Q406 PolarHBondContact O-N 3.3Å; Q406-N409 PolarHBondContact O-N 3.39Å; Q406-Q410 PolarHBondContact O-N 3.32Å
407	T	88.6	Confident	79	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.012	35%	0.347	C	S	.	.	H	α-helix	trans	-66.9	-42.4	179.8	-59	0	0	0	0	111.4	F352 L364 V387 E403 L404 Q410 L411	F352-T407 HydrophobicContact CB-CG2 3.84Å; L364-T407 HydrophobicContact CD1-CG2 4.39Å; V387-T407 HydrophobicContact CG1-CG2 4.34Å; E403-T407 WeakPolarHBondContact O-CB 3.34Å; E403-T407 PolarHBondContact O-N 2.94Å; E403-T407 PolarHBondContact O-OG1 2.93Å; L404-T407 PolarHBondContact O-N 2.98Å; T407-Q410 PolarHBondContact O-N 3.06Å; T407-L411 PolarHBondContact O-N 2.81Å
408	L	89.4	Confident	80.6	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-60.1	-50.9	174	176.8	54.5	0	0	0	111.4	L404 Q410 L411 L412 D437 L440	L404-L408 WeakPolarHBondContact O-CB 3.45Å; L404-L408 PolarHBondContact O-N 3.08Å; L408-Q410 PolarHBondContact O-N 2.89Å; L408-L411 WeakPolarHBondContact O-CB 3.43Å; L408-L411 PolarHBondContact O-N 3.23Å; L408-L412 HydrophobicContact CD1-CG 4.39Å; L408-L412 WeakPolarHBondContact O-CG 3.32Å; L408-L412 PolarHBondContact O-N 3.27Å; L408-D437 HydrophobicContact CD2-CB 3.99Å; L408-L440 HydrophobicContact CD1-CD1 3.77Å; L408-L440 HydrophobicContact CD1-CD2 3.86Å; L408-L440 HydrophobicContact CD1-CG 3.87Å
409	N	90.5	Very high	81.8	Confident	83 Å²	83	52.2 Å²	52.2	44%	0.444	30%	0.304	S	S	.	.	H	α-helix	trans	-60	-36.3	178.4	-74.2	-43.9	0	0	0	111.6	D405 Q406 L412 V413	D405-N409 WeakPolarHBondContact O-CB 3.09Å; D405-N409 VanDerWaalsContact O-CG 3.24Å; D405-N409 PolarHBondContact O-N 3.05Å; D405-N409 PolarHBondContact O-ND2 3.48Å; Q406-N409 PolarHBondContact O-N 3.39Å; N409-L412 PolarHBondContact O-N 2.9Å; N409-V413 VanDerWaalsContact O-CG2 3.3Å; N409-V413 WeakPolarHBondContact O-CG2 3.45Å; N409-V413 PolarHBondContact O-N 3.19Å
410	Q	91.6	Very high	82.5	Confident	22 Å²	22	46 Å²	46	10%	0.103	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-41	174.1	-171.7	60.5	50.3	0	0	112.3	A361 L364 R365 Q406 T407 L408 L412 V413 E414	A361-Q410 HydrophobicContact CB-CB 3.82Å; A361-Q410 HydrophobicContact CB-CG 3.99Å; L364-Q410 HydrophobicContact CB-CG 4.5Å; L364-Q410 HydrophobicContact CD2-CG 4.31Å; R365-Q410 HydrophobicContact CG-CG 3.98Å; R365-Q410 VanDerWaalsContact CG-NE2 3.35Å; R365-Q410 VanDerWaalsContact CZ-OE1 3.29Å; Q406-Q410 PolarHBondContact O-N 3.32Å; T407-Q410 PolarHBondContact O-N 3.06Å; L408-Q410 PolarHBondContact O-N 2.89Å; Q410-L412 VanDerWaalsContact C-N 3.31Å; Q410-L412 PolarHBondContact O-N 3.26Å; Q410-V413 PolarHBondContact O-N 2.89Å; Q410-E414 PolarHBondContact NE2-OE1 3.04Å; Q410-E414 WeakPolarHBondContact O-CG 3.41Å; Q410-E414 PolarHBondContact O-N 2.89Å
411	L	92.4	Very high	83.1	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-57.6	-46.3	173	-178.2	55.9	0	0	0	111.2	L364 F368 I381 L384 T407 L408 V413 E414 M415 L440	L364-L411 HydrophobicContact CD1-CB 3.6Å; L364-L411 HydrophobicContact CD1-CD1 4.01Å; L364-L411 HydrophobicContact CD1-CG 4.26Å; L364-L411 HydrophobicContact CD2-CB 4.22Å; L364-L411 HydrophobicContact CD2-CD1 4.06Å; L364-L411 HydrophobicContact CG-CD1 4.43Å; F368-L411 HydrophobicContact CE2-CD1 3.82Å; F368-L411 HydrophobicContact CZ-CD1 3.78Å; I381-L411 HydrophobicContact CD1-CD1 4Å; L384-L411 HydrophobicContact CD1-CD2 3.93Å; T407-L411 PolarHBondContact O-N 2.81Å; L408-L411 WeakPolarHBondContact O-CB 3.43Å; L408-L411 PolarHBondContact O-N 3.23Å; L411-V413 VanDerWaalsContact C-N 3.35Å; L411-V413 PolarHBondContact O-N 3.05Å; L411-E414 PolarHBondContact O-N 2.94Å; L411-M415 HydrophobicContact CD1-CG 4.1Å; L411-M415 HydrophobicContact CD1-SD 4.19Å; L411-M415 HydrophobicContact CG-CG 4.47Å; L411-M415 HydrophobicContact CG-SD 4.2Å; L411-M415 VanDerWaalsContact O-CG 3.29Å; L411-M415 WeakPolarHBondContact O-CG 3.46Å; L411-M415 PolarHBondContact O-N 3.18Å; L411-L440 HydrophobicContact CD2-CD2 3.87Å; L411-L440 HydrophobicContact CG-CD2 4.36Å
412	L	92.2	Very high	83.8	Confident	12 Å²	12	46.7 Å²	46.7	6%	0.063	27%	0.27	C	S	.	.	H	α-helix	trans	-61.2	-43.1	178.8	-61.7	-179.2	0	0	0	112	L408 N409 Q410 M415 D416 A439 L440	L408-L412 HydrophobicContact CD1-CG 4.39Å; L408-L412 WeakPolarHBondContact O-CG 3.32Å; L408-L412 PolarHBondContact O-N 3.27Å; N409-L412 PolarHBondContact O-N 2.9Å; Q410-L412 VanDerWaalsContact C-N 3.31Å; Q410-L412 PolarHBondContact O-N 3.26Å; L412-M415 PolarHBondContact O-N 2.97Å; L412-D416 WeakPolarHBondContact O-CB 3.48Å; L412-D416 VanDerWaalsContact O-CG 3.23Å; L412-D416 PolarHBondContact O-N 2.95Å; L412-A439 HydrophobicContact CD1-CB 3.88Å; L412-A439 HydrophobicContact CD2-CB 4.48Å; L412-L440 HydrophobicContact CD2-CD2 3.47Å; L412-L440 VanDerWaalsContact CD2-CD2 3.47Å; L412-L440 HydrophobicContact CD2-CG 4.09Å
413	V	92.3	Very high	84.4	Confident	90 Å²	90	43.3 Å²	43.3	55%	0.545	25%	0.248	S	C	.	.	H	α-helix	trans	-64.6	-43.6	177.9	170.6	0	0	0	0	111.6	N409 Q410 L411 G417	N409-V413 VanDerWaalsContact O-CG2 3.3Å; N409-V413 WeakPolarHBondContact O-CG2 3.45Å; N409-V413 PolarHBondContact O-N 3.19Å; Q410-V413 PolarHBondContact O-N 2.89Å; L411-V413 VanDerWaalsContact C-N 3.35Å; L411-V413 PolarHBondContact O-N 3.05Å; V413-G417 PolarHBondContact O-N 3.16Å
414	E	92.1	Very high	85.1	Confident	23 Å²	23	43.1 Å²	43.1	11%	0.107	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-42	176.1	-69	-62.6	145.2	0	0	111.4	L364 F368 R372 Q410 L411 G417 M418	L364-E414 HydrophobicContact CD2-CB 4.12Å; L364-E414 HydrophobicContact CD2-CG 3.71Å; F368-E414 HydrophobicContact CB-CB 4.43Å; F368-E414 HydrophobicContact CB-CG 4.26Å; F368-E414 WeakPolarHBondContact CB-OE2 3.48Å; F368-E414 HydrophobicContact CD1-CB 3.72Å; F368-E414 HydrophobicContact CD1-CG 4.44Å; F368-E414 HydrophobicContact CD2-CB 3.94Å; F368-E414 HydrophobicContact CD2-CG 4.08Å; F368-E414 HydrophobicContact CE1-CB 3.81Å; F368-E414 HydrophobicContact CE2-CB 4.05Å; F368-E414 HydrophobicContact CG-CB 3.77Å; F368-E414 HydrophobicContact CG-CG 4.01Å; F368-E414 HydrophobicContact CZ-CB 3.97Å; R372-E414 IonicContact CZ-OE2 2.91Å; R372-E414 IonicContact NH2-OE2 3.21Å; R372-E414 PolarHBondContact NH2-OE2 3.2Å; Q410-E414 PolarHBondContact NE2-OE1 3.04Å; Q410-E414 WeakPolarHBondContact O-CG 3.41Å; Q410-E414 PolarHBondContact O-N 2.89Å; L411-E414 PolarHBondContact O-N 2.94Å; E414-G417 PolarHBondContact O-N 3.25Å; E414-M418 WeakPolarHBondContact O-CG 3.25Å; E414-M418 PolarHBondContact O-N 2.81Å; E414-M418 VanDerWaalsContact O-N 3.12Å
415	M	91	Very high	85.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.9	-42.4	178.7	-70.3	-173.2	85.3	0	0	112.9	K317 F368 L411 L412 G417 M418 V426 R445 F446	K317-M415 WeakPolarHBondContact CD-O 3.33Å; K317-M415 PolarHBondContact NZ-O 3.16Å; F368-M415 HydrophobicContact CZ-CG 4.24Å; L411-M415 HydrophobicContact CD1-CG 4.1Å; L411-M415 HydrophobicContact CD1-SD 4.19Å; L411-M415 HydrophobicContact CG-CG 4.47Å; L411-M415 HydrophobicContact CG-SD 4.2Å; L411-M415 VanDerWaalsContact O-CG 3.29Å; L411-M415 WeakPolarHBondContact O-CG 3.46Å; L411-M415 PolarHBondContact O-N 3.18Å; L412-M415 PolarHBondContact O-N 2.97Å; M415-G417 VanDerWaalsContact C-N 3.27Å; M415-G417 PolarHBondContact O-N 3.25Å; M415-M418 PolarHBondContact O-N 2.91Å; M415-V426 HydrophobicContact CE-CB 4.43Å; M415-R445 HydrophobicContact CB-CG 4.22Å; M415-R445 HydrophobicContact CE-CB 3.9Å; M415-R445 WeakPolarHBondContact CE-O 3.31Å; M415-R445 HydrophobicContact SD-CB 4.1Å; M415-F446 HydrophobicContact CE-CD1 3.96Å; M415-F446 HydrophobicContact CE-CD2 3.83Å; M415-F446 HydrophobicContact CE-CE1 3.89Å; M415-F446 HydrophobicContact CE-CE2 3.75Å; M415-F446 HydrophobicContact CE-CG 3.94Å; M415-F446 HydrophobicContact CE-CZ 3.79Å; M415-F446 HydrophobicContact SD-CD2 4.02Å; M415-F446 HydrophobicContact SD-CE2 3.6Å; M415-F446 HydrophobicContact SD-CZ 3.97Å
416	D	88.8	Confident	86.3	Confident	78 Å²	78	38.6 Å²	38.6	42%	0.417	22%	0.224	S	C	.	.	H	α-helix	trans	-66.2	-34.4	176.7	-69.5	-14.4	0	0	0	110.6	K317 L412 R445	K317-D416 PolarHBondContact NZ-O 3.33Å; L412-D416 WeakPolarHBondContact O-CB 3.48Å; L412-D416 VanDerWaalsContact O-CG 3.23Å; L412-D416 PolarHBondContact O-N 2.95Å; D416-R445 WeakPolarHBondContact OD1-CG 3.11Å; D416-R445 IonicContact OD1-CZ 2.71Å; D416-R445 IonicContact OD1-NE 3.54Å; D416-R445 PolarHBondContact OD1-NE 2.98Å; D416-R445 IonicContact OD1-NH2 3.71Å; D416-R445 IonicContact OD2-CZ 2.7Å; D416-R445 IonicContact OD2-NE 3.1Å; D416-R445 IonicContact OD2-NH2 3.53Å; D416-R445 PolarHBondContact OD2-NH2 3.3Å
417	G	86.1	Confident	86.8	Confident	49 Å²	49	34.1 Å²	34.1	51%	0.505	20%	0.203	S	C	.	.	H	α-helix	trans	-78.8	-11.4	179.6	0	0	0	0	0	116.6	V413 E414 M415	V413-G417 PolarHBondContact O-N 3.16Å; E414-G417 PolarHBondContact O-N 3.25Å; M415-G417 VanDerWaalsContact C-N 3.27Å; M415-G417 PolarHBondContact O-N 3.25Å
418	M	82.7	Confident	87.1	Confident	4 Å²	4	34 Å²	34	2%	0.02	20%	0.203	C	C	.	.			trans	-72.5	127.2	174.4	-72.2	-173.9	-49.2	0	0	110.9	K317 F368 E414 M415 V424 V426	K317-M418 HydrophobicContact CB-CE 3.97Å; K317-M418 HydrophobicContact CD-CB 4.27Å; K317-M418 HydrophobicContact CD-CE 4.44Å; K317-M418 WeakPolarHBondContact CD-O 3.48Å; K317-M418 WeakPolarHBondContact CE-O 3.39Å; K317-M418 PolarHBondContact NZ-O 2.92Å; F368-M418 HydrophobicContact CD1-CG 4.22Å; F368-M418 HydrophobicContact CD1-SD 3.85Å; F368-M418 HydrophobicContact CE1-CE 4.21Å; F368-M418 HydrophobicContact CE1-CG 4.25Å; F368-M418 HydrophobicContact CE1-SD 3.56Å; F368-M418 VanDerWaalsContact CE1-SD 3.56Å; E414-M418 WeakPolarHBondContact O-CG 3.25Å; E414-M418 PolarHBondContact O-N 2.81Å; E414-M418 VanDerWaalsContact O-N 3.12Å; M415-M418 PolarHBondContact O-N 2.91Å; M418-V424 HydrophobicContact SD-CB 4.41Å; M418-V424 HydrophobicContact SD-CG1 4.16Å; M418-V426 HydrophobicContact CE-CG2 3.62Å; M418-V426 HydrophobicContact SD-CG2 3.83Å
419	D	76.5	Confident	87.4	Confident	105 Å²	105	33.9 Å²	33.9	56%	0.561	20%	0.202	S	C	*	.			trans	-80.8	140.1	169.2	-77.3	-28.8	0	0	0	110.4	T421 E422	D419-T421 PolarHBondContact O-N 2.96Å; D419-E422 HydrophobicContact CB-CG 4.12Å; D419-E422 WeakPolarHBondContact O-CB 3.26Å; D419-E422 PolarHBondContact O-N 3Å
420	T	68.7	Low	87.6	Confident	60 Å²	60	30 Å²	30	37%	0.368	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-60.3	-20.4	178.8	49.8	0	0	0	0	112.7	Y301 K317	Y301-T420 PolarHBondContact OH-O 3.05Å; K317-T420 HydrophobicContact CG-CG2 4.36Å
421	T	70.4	Confident	87.6	Confident	100 Å²	100	32.4 Å²	32.4	61%	0.613	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-78.9	-16.9	177.7	48.9	0	0	0	0	113.8	D419 G423	D419-T421 PolarHBondContact O-N 2.96Å; T421-G423 PolarHBondContact O-N 3.21Å
422	E	74.5	Confident	87.4	Confident	55 Å²	55	38 Å²	38	26%	0.257	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-72	-8.1	-178.9	-70.8	-176.5	162.4	0	0	112.9	R372 S375 D419 V424	R372-E422 VanDerWaalsContact CD-OE2 3.29Å; R372-E422 WeakPolarHBondContact CD-OE2 3.47Å; S375-E422 VanDerWaalsContact CB-O 3.23Å; S375-E422 WeakPolarHBondContact CB-O 3.38Å; S375-E422 PolarHBondContact OG-O 2.81Å; D419-E422 HydrophobicContact CB-CG 4.12Å; D419-E422 WeakPolarHBondContact O-CB 3.26Å; D419-E422 PolarHBondContact O-N 3Å; E422-V424 PolarHBondContact O-N 2.78Å; E422-V424 VanDerWaalsContact O-N 3.1Å
423	G	84	Confident	87.2	Confident	12 Å²	12	39.5 Å²	39.5	12%	0.124	23%	0.23	C	C	.	.			trans	63.8	17.4	176	0	0	0	0	0	115	P376 A377 T421	P376-G423 VanDerWaalsContact CA-O 3.31Å; P376-G423 WeakPolarHBondContact CA-O 3.43Å; P376-G423 WeakPolarHBondContact CB-O 3.48Å; A377-G423 PolarHBondContact N-O 3.14Å; A377-G423 VanDerWaalsContact N-O 3.16Å; T421-G423 PolarHBondContact O-N 3.21Å
424	V	90.2	Very high	86.9	Confident	13 Å²	13	39.6 Å²	39.6	8%	0.079	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	129.4	174.6	-177.7	0	0	0	0	109.4	A371 R372 A377 I379 M418 E422	A371-V424 HydrophobicContact CB-CG1 4.15Å; R372-V424 HydrophobicContact CG-CG2 4.26Å; A377-V424 WeakPolarHBondContact O-CA 3.22Å; I379-V424 HydrophobicContact CD1-CG1 3.94Å; I379-V424 HydrophobicContact CG1-CG1 4.09Å; M418-V424 HydrophobicContact SD-CB 4.41Å; M418-V424 HydrophobicContact SD-CG1 4.16Å; E422-V424 PolarHBondContact O-N 2.78Å; E422-V424 VanDerWaalsContact O-N 3.1Å
425	I	91.9	Very high	86.6	Confident	4 Å²	4	39.7 Å²	39.7	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	133.6	177.5	-60.9	161.7	0	0	0	109.6	F298 Y301 L302 A377 I378 I379 F427	F298-I425 HydrophobicContact CB-CD1 4.32Å; F298-I425 HydrophobicContact CD1-CD1 3.99Å; F298-I425 HydrophobicContact CD1-CG2 4.01Å; F298-I425 HydrophobicContact CE1-CG2 4.21Å; Y301-I425 HydrophobicContact CD1-CD1 4.09Å; Y301-I425 HydrophobicContact CE1-CD1 4.46Å; L302-I425 HydrophobicContact CD1-CD1 3.96Å; L302-I425 HydrophobicContact CD2-CD1 3.73Å; L302-I425 HydrophobicContact CD2-CG1 4.49Å; L302-I425 HydrophobicContact CG-CD1 3.74Å; A377-I425 PolarHBondContact O-N 2.71Å; A377-I425 VanDerWaalsContact O-N 3.1Å; I378-I425 WeakPolarHBondContact CA-O 3.32Å; I379-I425 PolarHBondContact N-O 3.5Å; I425-F427 HydrophobicContact CB-CE2 4.35Å; I425-F427 HydrophobicContact CG2-CD2 3.94Å; I425-F427 HydrophobicContact CG2-CE2 3.51Å; I425-F427 HydrophobicContact CG2-CZ 4.15Å
426	V	94.2	Very high	86.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	118.3	179.1	-174.4	0	0	0	0	110.7	K317 G318 A319 F368 I379 I381 M415 M418 F446	K317-V426 PolarHBondContact O-N 3.14Å; K317-V426 VanDerWaalsContact O-N 3.08Å; G318-V426 CarbonylContact C-O 3.56Å; G318-V426 WeakPolarHBondContact CA-O 3.35Å; A319-V426 PolarHBondContact N-O 3.12Å; F368-V426 HydrophobicContact CE1-CG2 3.75Å; F368-V426 HydrophobicContact CZ-CG2 3.89Å; I379-V426 HydrophobicContact CB-CG1 4.48Å; I379-V426 HydrophobicContact CB-CG2 4.26Å; I379-V426 HydrophobicContact CD1-CG2 4.23Å; I379-V426 HydrophobicContact CG2-CG1 4.5Å; I379-V426 CarbonylContact O-C 3.52Å; I379-V426 WeakPolarHBondContact O-CA 3.46Å; I381-V426 HydrophobicContact CD1-CG1 4.42Å; M415-V426 HydrophobicContact CE-CB 4.43Å; M418-V426 HydrophobicContact CE-CG2 3.62Å; M418-V426 HydrophobicContact SD-CG2 3.83Å; V426-F446 HydrophobicContact CB-CE1 4.43Å; V426-F446 HydrophobicContact CG1-CE1 3.89Å; V426-F446 HydrophobicContact CG1-CZ 3.94Å
427	F	95.3	Very high	86.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	130.9	169.6	-73.9	-93.1	0	0	0	110.4	F298 A319 V333 L336 I378 I379 F380 I381 I425	F298-F427 HydrophobicContact CB-CZ 4.36Å; F298-F427 HydrophobicContact CD1-CZ 4.09Å; F298-F427 HydrophobicContact CD2-CZ 4.17Å; F298-F427 HydrophobicContact CE1-CZ 4.35Å; F298-F427 HydrophobicContact CE2-CZ 4.47Å; F298-F427 AromaticContact CG-CZ 3.96Å; F298-F427 HydrophobicContact CG-CZ 3.96Å; A319-F427 HydrophobicContact CB-CD1 3.77Å; A319-F427 HydrophobicContact CB-CE1 3.64Å; A319-F427 HydrophobicContact CB-CZ 4.42Å; A319-F427 CarbonylContact O-C 3.58Å; A319-F427 VanDerWaalsContact O-CA 3.24Å; A319-F427 WeakPolarHBondContact O-CA 3.4Å; V333-F427 HydrophobicContact CG1-CB 4.08Å; V333-F427 HydrophobicContact CG1-CD2 3.92Å; V333-F427 HydrophobicContact CG1-CG 3.92Å; V333-F427 HydrophobicContact CG2-CB 4.16Å; V333-F427 HydrophobicContact CG2-CD1 4.08Å; V333-F427 HydrophobicContact CG2-CG 4.13Å; L336-F427 HydrophobicContact CD1-CE1 4.36Å; L336-F427 HydrophobicContact CD1-CE2 4.12Å; L336-F427 HydrophobicContact CD1-CZ 3.59Å; L336-F427 HydrophobicContact CD2-CE2 4.28Å; I378-F427 HydrophobicContact CG2-CD2 3.76Å; I378-F427 HydrophobicContact CG2-CE2 4.22Å; I379-F427 PolarHBondContact O-N 3.11Å; F380-F427 CarbonylContact C-O 3.42Å; F380-F427 VanDerWaalsContact CA-O 3.32Å; F380-F427 WeakPolarHBondContact CA-O 3.48Å; F380-F427 HydrophobicContact CD2-CB 3.75Å; I381-F427 PolarHBondContact N-O 2.9Å; I425-F427 HydrophobicContact CB-CE2 4.35Å; I425-F427 HydrophobicContact CG2-CD2 3.94Å; I425-F427 HydrophobicContact CG2-CE2 3.51Å; I425-F427 HydrophobicContact CG2-CZ 4.15Å
428	G	94.9	Very high	86.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	145.3	167.8	0	0	0	0	0	110	A319 L320 L321 I381	A319-G428 PolarHBondContact O-N 2.83Å; L320-G428 CarbonylContact C-O 3.55Å; L320-G428 WeakPolarHBondContact CA-O 3.39Å; L321-G428 PolarHBondContact N-O 2.96Å; I381-G428 CarbonylContact O-C 3.57Å; I381-G428 WeakPolarHBondContact O-CA 3.33Å
429	A	95.3	Very high	87	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.5	167.5	0	0	0	0	0	110.3	L321 K329 F380 I381 E383 L384	L321-A429 HydrophobicContact CB-CB 4.31Å; L321-A429 WeakPolarHBondContact O-CA 3.43Å; K329-A429 HydrophobicContact CB-CB 4.25Å; K329-A429 HydrophobicContact CD-CB 4.15Å; F380-A429 HydrophobicContact CE2-CB 3.77Å; F380-A429 HydrophobicContact CZ-CB 3.67Å; I381-A429 PolarHBondContact O-N 3.16Å; E383-A429 PolarHBondContact N-O 3.07Å; E383-A429 VanDerWaalsContact N-O 3.12Å; L384-A429 PolarHBondContact N-O 3.48Å
430	T	93.7	Very high	87.7	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	146.7	170.4	-176.5	0	0	0	0	111.4	L320 L321 L322 K329 D385 R432 L436	L320-T430 HydrophobicContact CD1-CG2 4.41Å; L321-T430 PolarHBondContact O-N 2.81Å; L321-T430 VanDerWaalsContact O-N 3.11Å; L322-T430 HydrophobicContact CD2-CG2 3.37Å; K329-T430 PolarHBondContact NZ-O 3.35Å; D385-T430 WeakPolarHBondContact CB-OG1 3.46Å; D385-T430 VanDerWaalsContact CG-OG1 3.26Å; D385-T430 PolarHBondContact OD1-OG1 3.42Å; T430-R432 PolarHBondContact OG1-N 2.95Å; T430-L436 HydrophobicContact CG2-CD1 3.49Å; T430-L436 VanDerWaalsContact CG2-CD1 3.49Å; T430-L436 HydrophobicContact CG2-CG 4.19Å
431	N	93	Very high	88.7	Confident	71 Å²	71	34.7 Å²	34.7	38%	0.38	19%	0.185	S	C	.	.	S	Bend	trans	-89.9	-11.1	170.3	-58.1	-34.8	0	0	0	112.5	G323 P324 K329	G323-N431 WeakPolarHBondContact O-CA 3.5Å; G323-N431 PolarHBondContact O-OD1 3.34Å; P324-N431 PolarHBondContact O-OD1 3.48Å; K329-N431 PolarHBondContact NZ-OD1 3.33Å
432	R	88.1	Confident	89.6	Confident	120 Å²	120	36.3 Å²	36.3	45%	0.453	18%	0.179	S	C	.	.			trans	-132.5	75.2	-170.7	-64.9	-166.7	66.2	174.9	-0.4	111.3	T430 D434 L435	T430-R432 PolarHBondContact OG1-N 2.95Å; R432-D434 VanDerWaalsContact CA-OD1 3.26Å; R432-D434 WeakPolarHBondContact CA-OD1 3.45Å; R432-D434 WeakPolarHBondContact CB-OD1 3.32Å; R432-D434 IonicContact NE-OD1 2.91Å; R432-D434 IonicContact NE-OD2 3.6Å; R432-D434 IonicContact NH2-OD2 2.84Å; R432-D434 PolarHBondContact NH2-OD2 2.94Å; R432-D434 PolarHBondContact O-N 3.33Å; R432-L435 HydrophobicContact CB-CB 4.35Å; R432-L435 HydrophobicContact CB-CD1 4.22Å; R432-L435 HydrophobicContact CB-CG 4.17Å; R432-L435 PolarHBondContact O-N 3.45Å
433	A	87.3	Confident	90.1	Very high	43 Å²	43	38.2 Å²	38.2	36%	0.355	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-62.2	-28.9	178.9	0	0	0	0	0	112.8	L322 L435 L436	L322-A433 HydrophobicContact CD1-CB 4.37Å; L322-A433 HydrophobicContact CD2-CB 3.8Å; A433-L435 PolarHBondContact O-N 3.38Å; A433-L436 PolarHBondContact O-N 3.36Å
434	D	86.4	Confident	90.2	Very high	92 Å²	92	38.9 Å²	38.9	49%	0.492	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-57.3	-35.1	176.1	59	-54.4	0	0	0	112.5	R432	R432-D434 VanDerWaalsContact CA-OD1 3.26Å; R432-D434 WeakPolarHBondContact CA-OD1 3.45Å; R432-D434 WeakPolarHBondContact CB-OD1 3.32Å; R432-D434 IonicContact NE-OD1 2.91Å; R432-D434 IonicContact NE-OD2 3.6Å; R432-D434 IonicContact NH2-OD2 2.84Å; R432-D434 PolarHBondContact NH2-OD2 2.94Å; R432-D434 PolarHBondContact O-N 3.33Å
435	L	86.7	Confident	90.3	Very high	24 Å²	24	39.8 Å²	39.8	13%	0.126	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-82.8	-14.2	-177.6	-68.8	-168.1	0	0	0	114.1	D385 R389 R390 R432 A433	D385-L435 HydrophobicContact CB-CB 4.48Å; R389-L435 CarbonylContact C-O 3.39Å; R389-L435 VanDerWaalsContact CA-O 3.27Å; R389-L435 WeakPolarHBondContact CA-O 3.14Å; R389-L435 HydrophobicContact CG-CB 4.49Å; R390-L435 PolarHBondContact N-O 3.48Å; R432-L435 HydrophobicContact CB-CB 4.35Å; R432-L435 HydrophobicContact CB-CD1 4.22Å; R432-L435 HydrophobicContact CB-CG 4.17Å; R432-L435 PolarHBondContact O-N 3.45Å; A433-L435 PolarHBondContact O-N 3.38Å
436	L	88.6	Confident	90.2	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-75.8	138.5	-173.6	-72.6	-180	0	0	0	113.4	L320 L384 D385 G388 R390 T430 A433 Q438 L440	L320-L436 HydrophobicContact CD1-CD1 4.24Å; L320-L436 HydrophobicContact CD2-CD1 3.62Å; L384-L436 HydrophobicContact CB-CD2 4.45Å; L384-L436 HydrophobicContact CD2-CD2 4.32Å; L384-L436 HydrophobicContact CG-CD2 4.16Å; D385-L436 HydrophobicContact CB-CD2 4.23Å; G388-L436 CarbonylContact O-C 3.53Å; G388-L436 WeakPolarHBondContact O-CA 3.45Å; R390-L436 WeakPolarHBondContact CG-O 3.35Å; R390-L436 PolarHBondContact NE-O 3.39Å; T430-L436 HydrophobicContact CG2-CD1 3.49Å; T430-L436 VanDerWaalsContact CG2-CD1 3.49Å; T430-L436 HydrophobicContact CG2-CG 4.19Å; A433-L436 PolarHBondContact O-N 3.36Å; L436-Q438 PolarHBondContact O-N 3.39Å; L436-L440 HydrophobicContact CD2-CD1 4.26Å
437	D	89	Confident	89.9	Confident	17 Å²	17	42.3 Å²	42.3	9%	0.091	23%	0.227	C	C	.	.			trans	-58.2	128.4	171.8	-168.4	-21.3	0	0	0	109.5	G388 R391 L408 A439 L440	G388-D437 PolarHBondContact O-N 2.81Å; R391-D437 IonicContact NH2-OD2 3.56Å; L408-D437 HydrophobicContact CD2-CB 3.99Å; D437-A439 PolarHBondContact O-N 3.26Å; D437-A439 WeakPolarHBondContact OD1-CB 3.3Å; D437-A439 PolarHBondContact OD1-N 3.39Å; D437-L440 PolarHBondContact O-N 2.86Å
438	Q	89.1	Confident	89.7	Confident	113 Å²	113	47.9 Å²	47.9	53%	0.528	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-23.6	175.1	-64.5	-177.7	1.2	0	0	112.1	L436 L440 L441 R442	L436-Q438 PolarHBondContact O-N 3.39Å; Q438-L440 VanDerWaalsContact C-N 3.28Å; Q438-L440 PolarHBondContact O-N 3.08Å; Q438-L441 PolarHBondContact O-N 2.95Å; Q438-R442 WeakPolarHBondContact O-CG 3.14Å
439	A	90.5	Very high	89.6	Confident	4 Å²	4	51 Å²	51	3%	0.033	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-35.5	174.2	0	0	0	0	0	113.3	L412 D437 L441 R442 R445	L412-A439 HydrophobicContact CD1-CB 3.88Å; L412-A439 HydrophobicContact CD2-CB 4.48Å; D437-A439 PolarHBondContact O-N 3.26Å; D437-A439 WeakPolarHBondContact OD1-CB 3.3Å; D437-A439 PolarHBondContact OD1-N 3.39Å; A439-L441 VanDerWaalsContact C-N 3.33Å; A439-R442 VanDerWaalsContact CA-NH1 3.3Å; A439-R445 WeakPolarHBondContact O-CD 3.3Å; A439-R445 PolarHBondContact O-NH1 2.98Å
440	L	90.6	Very high	89.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-31.5	178.9	-71.7	167.7	0	0	0	112.3	L384 L408 L411 L412 L436 D437 Q438 R442 R445 F446	L384-L440 HydrophobicContact CD2-CD1 4.3Å; L408-L440 HydrophobicContact CD1-CD1 3.77Å; L408-L440 HydrophobicContact CD1-CD2 3.86Å; L408-L440 HydrophobicContact CD1-CG 3.87Å; L411-L440 HydrophobicContact CD2-CD2 3.87Å; L411-L440 HydrophobicContact CG-CD2 4.36Å; L412-L440 HydrophobicContact CD2-CD2 3.47Å; L412-L440 VanDerWaalsContact CD2-CD2 3.47Å; L412-L440 HydrophobicContact CD2-CG 4.09Å; L436-L440 HydrophobicContact CD2-CD1 4.26Å; D437-L440 PolarHBondContact O-N 2.86Å; Q438-L440 VanDerWaalsContact C-N 3.28Å; Q438-L440 PolarHBondContact O-N 3.08Å; L440-R442 VanDerWaalsContact C-N 3.28Å; L440-R442 PolarHBondContact O-N 3.33Å; L440-R445 WeakPolarHBondContact O-CB 3.48Å; L440-F446 HydrophobicContact CB-CD2 4.11Å; L440-F446 HydrophobicContact CD2-CD2 4.2Å; L440-F446 HydrophobicContact CD2-CE2 3.98Å; L440-F446 WeakPolarHBondContact O-CB 3.14Å; L440-F446 PolarHBondContact O-N 2.92Å
441	L	89.4	Confident	89.4	Confident	57 Å²	57	57.3 Å²	57.3	30%	0.298	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	0.6	-175.8	-51.8	176.5	0	0	0	113.7	L320 Q438 A439 H449	L320-L441 HydrophobicContact CD2-CD2 3.54Å; Q438-L441 PolarHBondContact O-N 2.95Å; A439-L441 VanDerWaalsContact C-N 3.33Å; L441-H449 WeakPolarHBondContact CD2-NE2 3.45Å
442	R	90.1	Very high	89.4	Confident	133 Å²	133	54 Å²	54	50%	0.502	27%	0.272	S	S	.	.	S	Bend	trans	-76.2	149.8	-179.2	-65.2	-173	-175.8	114.7	8.5	111.3	Q438 A439 L440 G444 R445	Q438-R442 WeakPolarHBondContact O-CG 3.14Å; A439-R442 VanDerWaalsContact CA-NH1 3.3Å; L440-R442 VanDerWaalsContact C-N 3.28Å; L440-R442 PolarHBondContact O-N 3.33Å; R442-G444 PolarHBondContact O-N 2.85Å; R442-R445 PolarHBondContact O-N 2.74Å; R442-R445 VanDerWaalsContact O-N 3.16Å
443	A	84.8	Confident	89.6	Confident	95 Å²	95	53.8 Å²	53.8	79%	0.785	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	135.8	175.8	0	0	0	0	0	111.6
444	G	85.3	Confident	89.8	Confident	27 Å²	27	55.2 Å²	55.2	28%	0.278	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.2	-7	-174.2	0	0	0	0	0	114.8	K317 R442	K317-G444 VanDerWaalsContact CD-O 3.31Å; K317-G444 WeakPolarHBondContact CD-O 3.29Å; R442-G444 PolarHBondContact O-N 2.85Å
445	R	91.3	Very high	90	Very high	32 Å²	32	51.2 Å²	51.2	12%	0.121	26%	0.26	C	S	.	.	S	Bend	trans	-114.3	-108.2	176.1	-63.7	162.8	-179.6	-170.6	-4.8	109.6	G318 M415 D416 A439 L440 R442 D447	G318-R445 WeakPolarHBondContact CA-O 3.22Å; G318-R445 PolarHBondContact N-O 3.35Å; G318-R445 VanDerWaalsContact N-O 3.09Å; M415-R445 HydrophobicContact CB-CG 4.22Å; M415-R445 HydrophobicContact CE-CB 3.9Å; M415-R445 WeakPolarHBondContact CE-O 3.31Å; M415-R445 HydrophobicContact SD-CB 4.1Å; D416-R445 WeakPolarHBondContact OD1-CG 3.11Å; D416-R445 IonicContact OD1-CZ 2.71Å; D416-R445 IonicContact OD1-NE 3.54Å; D416-R445 PolarHBondContact OD1-NE 2.98Å; D416-R445 IonicContact OD1-NH2 3.71Å; D416-R445 IonicContact OD2-CZ 2.7Å; D416-R445 IonicContact OD2-NE 3.1Å; D416-R445 IonicContact OD2-NH2 3.53Å; D416-R445 PolarHBondContact OD2-NH2 3.3Å; A439-R445 WeakPolarHBondContact O-CD 3.3Å; A439-R445 PolarHBondContact O-NH1 2.98Å; L440-R445 WeakPolarHBondContact O-CB 3.48Å; R442-R445 PolarHBondContact O-N 2.74Å; R442-R445 VanDerWaalsContact O-N 3.16Å; R445-D447 VanDerWaalsContact C-N 3.31Å; R445-D447 PolarHBondContact O-N 3.33Å
446	F	91.7	Very high	90.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	77.8	166.1	-65.1	-70.1	0	0	0	108.3	L320 L384 M415 V426 L440 H449	L320-F446 HydrophobicContact CB-CB 4.08Å; L320-F446 HydrophobicContact CB-CD1 4.32Å; L320-F446 HydrophobicContact CB-CG 4.31Å; L384-F446 HydrophobicContact CD2-CD2 4.26Å; L384-F446 HydrophobicContact CD2-CE2 3.67Å; L384-F446 HydrophobicContact CD2-CZ 3.99Å; M415-F446 HydrophobicContact CE-CD1 3.96Å; M415-F446 HydrophobicContact CE-CD2 3.83Å; M415-F446 HydrophobicContact CE-CE1 3.89Å; M415-F446 HydrophobicContact CE-CE2 3.75Å; M415-F446 HydrophobicContact CE-CG 3.94Å; M415-F446 HydrophobicContact CE-CZ 3.79Å; M415-F446 HydrophobicContact SD-CD2 4.02Å; M415-F446 HydrophobicContact SD-CE2 3.6Å; M415-F446 HydrophobicContact SD-CZ 3.97Å; V426-F446 HydrophobicContact CB-CE1 4.43Å; V426-F446 HydrophobicContact CG1-CE1 3.89Å; V426-F446 HydrophobicContact CG1-CZ 3.94Å; L440-F446 HydrophobicContact CB-CD2 4.11Å; L440-F446 HydrophobicContact CD2-CD2 4.2Å; L440-F446 HydrophobicContact CD2-CE2 3.98Å; L440-F446 WeakPolarHBondContact O-CB 3.14Å; L440-F446 PolarHBondContact O-N 2.92Å; F446-H449 PolarHBondContact O-NE2 2.84Å; F446-H449 VanDerWaalsContact O-NE2 3.16Å
447	D	87.1	Confident	90.3	Very high	56 Å²	56	56.7 Å²	56.7	30%	0.299	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-22.6	-177.2	60.1	-41	0	0	0	112.7	P316 K317 G318 R445	P316-D447 VanDerWaalsContact CA-OD1 3.31Å; P316-D447 WeakPolarHBondContact CA-OD1 3.48Å; P316-D447 WeakPolarHBondContact CA-OD2 3.39Å; P316-D447 WeakPolarHBondContact CB-OD1 3.32Å; P316-D447 VanDerWaalsContact CB-OD2 3.27Å; P316-D447 WeakPolarHBondContact CB-OD2 3.45Å; K317-D447 PolarHBondContact N-OD1 3Å; G318-D447 PolarHBondContact O-N 2.93Å; R445-D447 VanDerWaalsContact C-N 3.31Å; R445-D447 PolarHBondContact O-N 3.33Å
448	R	90.7	Very high	90.4	Very high	118 Å²	118	58.6 Å²	58.6	45%	0.445	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.7	171.9	-64.5	-63.9	-170.1	162.7	8.3	110.8	F298 P316 G318 A319 L320	F298-R448 HydrophobicContact CZ-CB 4.12Å; F298-R448 HydrophobicContact CZ-CG 3.97Å; P316-R448 HydrophobicContact CB-CG 3.55Å; P316-R448 HydrophobicContact CG-CG 3.91Å; G318-R448 PolarHBondContact O-N 3.48Å; A319-R448 CarbonylContact C-O 3.47Å; A319-R448 VanDerWaalsContact CA-O 3.26Å; A319-R448 WeakPolarHBondContact CA-O 3.24Å; A319-R448 HydrophobicContact CB-CB 3.86Å; L320-R448 PolarHBondContact N-O 2.85Å
449	H	92	Very high	90.6	Very high	66 Å²	66	54.3 Å²	54.3	31%	0.306	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	111.5	174.6	-55.6	112.7	0	0	0	108.3	L322 L441 F446 F451	L322-H449 HydrophobicContact CD1-CB 4.3Å; L441-H449 WeakPolarHBondContact CD2-NE2 3.45Å; F446-H449 PolarHBondContact O-NE2 2.84Å; F446-H449 VanDerWaalsContact O-NE2 3.16Å; H449-F451 HydrophobicContact CB-CE2 4.06Å
450	I	93.6	Very high	90.8	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.015	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	111.6	-178.6	-53.5	178	0	0	0	106.9	C291 E294 V295 F298 A319 L320 L321 L322 I452	C291-I450 HydrophobicContact CB-CG2 4.1Å; E294-I450 HydrophobicContact CB-CD1 4.49Å; V295-I450 HydrophobicContact CG2-CD1 3.67Å; F298-I450 HydrophobicContact CE2-CD1 4.2Å; A319-I450 HydrophobicContact CB-CD1 4.32Å; L320-I450 PolarHBondContact O-N 3.22Å; L321-I450 WeakPolarHBondContact CA-O 3.39Å; L321-I450 HydrophobicContact CD2-CB 3.75Å; L321-I450 HydrophobicContact CD2-CD1 3.93Å; L321-I450 HydrophobicContact CD2-CG1 4.28Å; L321-I450 HydrophobicContact CD2-CG2 4.14Å; L322-I450 PolarHBondContact N-O 2.93Å; I450-I452 HydrophobicContact CG2-CG1 4.41Å
451	F	92.7	Very high	90.9	Very high	132 Å²	132	57.3 Å²	57.3	58%	0.579	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	122.9	178.1	-66	-90	0	0	0	109.5	C291 L322 H449	C291-F451 PolarHBondContact SG-O 3.4Å; C291-F451 VanDerWaalsContact SG-O 3.35Å; L322-F451 HydrophobicContact CB-CD1 3.8Å; L322-F451 HydrophobicContact CB-CE1 4.05Å; L322-F451 HydrophobicContact CB-CG 4.46Å; L322-F451 HydrophobicContact CD1-CD1 3.97Å; L322-F451 HydrophobicContact CD1-CE1 3.38Å; L322-F451 HydrophobicContact CD1-CE2 4.34Å; L322-F451 HydrophobicContact CD1-CZ 3.6Å; L322-F451 HydrophobicContact CG-CE1 4.35Å; H449-F451 HydrophobicContact CB-CE2 4.06Å
452	I	93.2	Very high	91.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.301	C	S	.	.			trans	-112.5	94.9	177.9	-51.5	-162.9	0	0	0	107.9	L288 L321 L322 G323 P324 T327 K329 L332 I450	L288-I452 HydrophobicContact CD1-CG2 4.26Å; L288-I452 HydrophobicContact CD2-CG2 3.54Å; L321-I452 HydrophobicContact CB-CD1 4.46Å; L321-I452 HydrophobicContact CD1-CD1 4.41Å; L321-I452 HydrophobicContact CD2-CD1 4.34Å; L322-I452 PolarHBondContact O-N 2.97Å; G323-I452 WeakPolarHBondContact CA-O 3.27Å; P324-I452 WeakPolarHBondContact CD-O 3.34Å; T327-I452 WeakPolarHBondContact OG1-CG2 3.47Å; K329-I452 HydrophobicContact CG-CD1 3.93Å; L332-I452 HydrophobicContact CD2-CD1 3.71Å; I450-I452 HydrophobicContact CG2-CG1 4.41Å
453	D	90.7	Very high	91.4	Very high	116 Å²	116	52.2 Å²	52.2	62%	0.62	28%	0.28	S	S	*	.			trans	-77.3	175.8	177.5	-69.2	-30.7	0	0	0	112
454	L	91.4	Very high	91.8	Very high	73 Å²	73	47.7 Å²	47.7	38%	0.382	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-64.2	145.2	171.2	-67	167.4	0	0	0	110.1	P324 T327 N456 G492	P324-L454 HydrophobicContact CB-CD2 4.27Å; P324-L454 HydrophobicContact CG-CD2 4.22Å; P324-L454 HydrophobicContact CG-CG 4.13Å; T327-L454 HydrophobicContact CG2-CD2 4.28Å; L454-N456 PolarHBondContact O-N 2.64Å; L454-G492 WeakPolarHBondContact CD1-O 3.34Å
455	P	92.3	Very high	92.2	Very high	8 Å²	8	48.1 Å²	48.1	5%	0.052	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-64.4	136.1	-175.2	26.7	-35.1	0	0	0	111.7	E459 R460 I463 M493	P455-E459 WeakPolarHBondContact CA-OE2 3.42Å; P455-E459 HydrophobicContact CB-CB 3.86Å; P455-R460 HydrophobicContact CB-CG 3.91Å; P455-R460 HydrophobicContact CG-CG 3.77Å; P455-R460 PolarHBondContact O-NH1 3.23Å; P455-I463 HydrophobicContact CB-CD1 3.66Å; P455-I463 HydrophobicContact CG-CD1 3.96Å; P455-M493 WeakPolarHBondContact CD-O 3.27Å; P455-M493 VanDerWaalsContact CG-O 3.3Å; P455-M493 WeakPolarHBondContact CG-O 3.4Å
456	N	90.5	Very high	92.3	Very high	65 Å²	65	49 Å²	49	35%	0.348	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-70.6	173.2	172.1	70.9	42.2	0	0	0	111.5	L454 A458 E459 R460	L454-N456 PolarHBondContact O-N 2.64Å; N456-A458 VanDerWaalsContact C-N 3.31Å; N456-A458 PolarHBondContact O-N 2.95Å; N456-A458 WeakPolarHBondContact OD1-CA 3.31Å; N456-A458 WeakPolarHBondContact OD1-CB 3.48Å; N456-A458 PolarHBondContact OD1-N 3.27Å; N456-E459 PolarHBondContact N-OE2 2.86Å; N456-E459 PolarHBondContact ND2-OE2 2.7Å; N456-E459 PolarHBondContact O-N 3.2Å; N456-E459 WeakPolarHBondContact OD1-CG 3.48Å; N456-E459 PolarHBondContact OD1-N 3.44Å; N456-R460 WeakPolarHBondContact O-CB 3.26Å; N456-R460 WeakPolarHBondContact O-CG 3.45Å; N456-R460 PolarHBondContact O-N 3.44Å
457	L	89.9	Confident	92.3	Very high	76 Å²	76	51.5 Å²	51.5	40%	0.398	26%	0.262	S	S	.	.	H	α-helix	trans	-55	-42.2	-179.5	-175.4	154.2	0	0	0	113.6	R460 K461	L457-R460 PolarHBondContact O-N 2.91Å; L457-K461 HydrophobicContact CD2-CD 4.25Å; L457-K461 WeakPolarHBondContact O-CG 3.5Å; L457-K461 PolarHBondContact O-N 2.71Å; L457-K461 VanDerWaalsContact O-N 3.09Å
458	A	92	Very high	92.6	Very high	56 Å²	56	48.8 Å²	48.8	46%	0.463	25%	0.248	S	C	.	.	H	α-helix	trans	-68.3	-42.9	179.6	0	0	0	0	0	111.7	N456 K461 E462	N456-A458 VanDerWaalsContact C-N 3.31Å; N456-A458 PolarHBondContact O-N 2.95Å; N456-A458 WeakPolarHBondContact OD1-CA 3.31Å; N456-A458 WeakPolarHBondContact OD1-CB 3.48Å; N456-A458 PolarHBondContact OD1-N 3.27Å; A458-K461 WeakPolarHBondContact O-CB 3.38Å; A458-K461 PolarHBondContact O-N 3.32Å; A458-E462 PolarHBondContact O-N 2.99Å
459	E	93.1	Very high	92.6	Very high	23 Å²	23	46.5 Å²	46.5	11%	0.107	25%	0.254	C	S	.	.	H	α-helix	trans	-65.6	-38.7	175.6	-67.4	176	147.4	0	0	111.5	L288 H289 P455 N456 K461 E462 I463	L288-E459 WeakPolarHBondContact CA-OE1 3.45Å; L288-E459 PolarHBondContact N-OE1 3.07Å; H289-E459 PolarHBondContact N-OE1 3.25Å; P455-E459 WeakPolarHBondContact CA-OE2 3.42Å; P455-E459 HydrophobicContact CB-CB 3.86Å; N456-E459 PolarHBondContact N-OE2 2.86Å; N456-E459 PolarHBondContact ND2-OE2 2.7Å; N456-E459 PolarHBondContact O-N 3.2Å; N456-E459 WeakPolarHBondContact OD1-CG 3.48Å; N456-E459 PolarHBondContact OD1-N 3.44Å; E459-K461 VanDerWaalsContact C-N 3.32Å; E459-K461 PolarHBondContact O-N 3.48Å; E459-E462 WeakPolarHBondContact O-CB 3.37Å; E459-E462 PolarHBondContact O-N 3.02Å; E459-I463 VanDerWaalsContact O-CG1 3.22Å; E459-I463 WeakPolarHBondContact O-CG1 3.26Å; E459-I463 PolarHBondContact O-N 3.03Å
460	R	93.6	Very high	92.6	Very high	3 Å²	3	49.5 Å²	49.5	1%	0.011	27%	0.269	C	S	.	.	H	α-helix	trans	-59.5	-42.5	172.3	-73.5	-165.1	-57.4	-89.1	7.8	111.3	P455 N456 L457 E462 I463 F464 S487 C490 I498 E599	P455-R460 HydrophobicContact CB-CG 3.91Å; P455-R460 HydrophobicContact CG-CG 3.77Å; P455-R460 PolarHBondContact O-NH1 3.23Å; N456-R460 WeakPolarHBondContact O-CB 3.26Å; N456-R460 WeakPolarHBondContact O-CG 3.45Å; N456-R460 PolarHBondContact O-N 3.44Å; L457-R460 PolarHBondContact O-N 2.91Å; R460-E462 VanDerWaalsContact C-N 3.31Å; R460-E462 PolarHBondContact O-N 3.21Å; R460-I463 PolarHBondContact O-N 3.04Å; R460-F464 HydrophobicContact CB-CD2 4.45Å; R460-F464 WeakPolarHBondContact O-CB 3.5Å; R460-F464 WeakPolarHBondContact O-CD2 3.39Å; R460-F464 PolarHBondContact O-N 2.68Å; R460-S487 PolarHBondContact NE-O 3.23Å; R460-S487 PolarHBondContact NH2-O 2.95Å; R460-C490 WeakPolarHBondContact CD-O 3.33Å; R460-C490 PolarHBondContact NE-O 3.34Å; R460-I498 HydrophobicContact CB-CD1 4.4Å; R460-I498 HydrophobicContact CG-CD1 4.04Å; R460-E599 IonicContact CZ-OE1 3.41Å; R460-E599 IonicContact CZ-OE2 2.91Å; R460-E599 IonicContact NH1-OE1 3.54Å; R460-E599 PolarHBondContact NH1-OE1 3.44Å; R460-E599 IonicContact NH1-OE2 3.57Å; R460-E599 PolarHBondContact NH1-OE2 3Å; R460-E599 IonicContact NH2-OE1 2.71Å; R460-E599 PolarHBondContact NH2-OE1 3.33Å; R460-E599 IonicContact NH2-OE2 3.54Å; R460-E599 PolarHBondContact NH2-OE2 3.06Å
461	K	94.2	Very high	92.5	Very high	64 Å²	64	52.1 Å²	52.1	28%	0.278	28%	0.279	S	S	.	.	H	α-helix	trans	-57	-45.4	175	-73.4	-175.8	178.1	-167	0	111.2	L457 A458 E459 A465 V483 E484 S487	L457-K461 HydrophobicContact CD2-CD 4.25Å; L457-K461 WeakPolarHBondContact O-CG 3.5Å; L457-K461 PolarHBondContact O-N 2.71Å; L457-K461 VanDerWaalsContact O-N 3.09Å; A458-K461 WeakPolarHBondContact O-CB 3.38Å; A458-K461 PolarHBondContact O-N 3.32Å; E459-K461 VanDerWaalsContact C-N 3.32Å; E459-K461 PolarHBondContact O-N 3.48Å; K461-A465 WeakPolarHBondContact O-CB 3.46Å; K461-A465 PolarHBondContact O-N 3.09Å; K461-V483 HydrophobicContact CB-CG1 3.91Å; K461-V483 HydrophobicContact CG-CG1 4.15Å; K461-V483 VanDerWaalsContact O-CG1 3.25Å; K461-V483 WeakPolarHBondContact O-CG1 3.49Å; K461-E484 IonicContact NZ-OE1 3.13Å; K461-E484 PolarHBondContact NZ-OE1 3.43Å; K461-S487 VanDerWaalsContact CG-OG 3.23Å; K461-S487 WeakPolarHBondContact CG-OG 3.42Å
462	E	94	Very high	92.5	Very high	69 Å²	69	53.1 Å²	53.1	32%	0.322	29%	0.285	S	S	.	.	H	α-helix	trans	-64	-44.5	177.1	-66	174.6	-157	0	0	112.3	A286 G287 H289 A458 E459 R460 A465 V466	A286-E462 HydrophobicContact CB-CB 4.01Å; G287-E462 WeakPolarHBondContact CA-OE2 3.35Å; G287-E462 PolarHBondContact N-OE2 3.42Å; H289-E462 IonicContact CD2-OE1 2.9Å; H289-E462 IonicContact CE1-OE1 3.91Å; H289-E462 PolarHBondContact CE1-OE1 2.88Å; H289-E462 IonicContact CE1-OE2 3.63Å; H289-E462 PolarHBondContact CE1-OE2 3.41Å; H289-E462 VanDerWaalsContact CE1-OE2 3.25Å; H289-E462 VanDerWaalsContact NE2-CD 3.31Å; H289-E462 IonicContact NE2-OE1 2.74Å; H289-E462 PolarHBondContact NE2-OE1 2.89Å; H289-E462 IonicContact NE2-OE2 3.82Å; H289-E462 PolarHBondContact NE2-OE2 2.86Å; H289-E462 VanDerWaalsContact NE2-OE2 3.13Å; A458-E462 PolarHBondContact O-N 2.99Å; E459-E462 WeakPolarHBondContact O-CB 3.37Å; E459-E462 PolarHBondContact O-N 3.02Å; R460-E462 VanDerWaalsContact C-N 3.31Å; R460-E462 PolarHBondContact O-N 3.21Å; E462-A465 WeakPolarHBondContact O-CB 3.49Å; E462-A465 PolarHBondContact O-N 2.87Å; E462-V466 PolarHBondContact O-N 3.27Å
463	I	94.4	Very high	92.5	Very high	15 Å²	15	55.2 Å²	55.2	8%	0.077	30%	0.296	C	S	.	.	H	α-helix	trans	-62.8	-46.8	179.6	-67	164.2	0	0	0	110.5	A286 P455 E459 R460 A465 V466 Y467 I498	A286-I463 HydrophobicContact CB-CB 4.23Å; A286-I463 HydrophobicContact CB-CG1 3.66Å; P455-I463 HydrophobicContact CB-CD1 3.66Å; P455-I463 HydrophobicContact CG-CD1 3.96Å; E459-I463 VanDerWaalsContact O-CG1 3.22Å; E459-I463 WeakPolarHBondContact O-CG1 3.26Å; E459-I463 PolarHBondContact O-N 3.03Å; R460-I463 PolarHBondContact O-N 3.04Å; I463-A465 VanDerWaalsContact C-N 3.32Å; I463-A465 PolarHBondContact O-N 2.88Å; I463-V466 PolarHBondContact O-N 3.19Å; I463-Y467 HydrophobicContact CG2-CD2 3.62Å; I463-Y467 HydrophobicContact CG2-CE2 3.58Å; I463-Y467 VanDerWaalsContact O-CD2 3.28Å; I463-Y467 WeakPolarHBondContact O-CD2 3.41Å; I463-Y467 PolarHBondContact O-N 3.22Å; I463-I498 HydrophobicContact CB-CD1 4.29Å; I463-I498 HydrophobicContact CG2-CB 4.15Å; I463-I498 HydrophobicContact CG2-CD1 3.89Å; I463-I498 HydrophobicContact CG2-CG2 3.86Å
464	F	94.8	Very high	92.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.1	-42	174.5	-86.6	-68.3	0	0	0	111.6	R460 V466 Y467 I468 V483 L486 C490 I498 L501	R460-F464 HydrophobicContact CB-CD2 4.45Å; R460-F464 WeakPolarHBondContact O-CB 3.5Å; R460-F464 WeakPolarHBondContact O-CD2 3.39Å; R460-F464 PolarHBondContact O-N 2.68Å; F464-V466 VanDerWaalsContact C-N 3.32Å; F464-V466 PolarHBondContact O-N 3.05Å; F464-Y467 PolarHBondContact O-N 2.97Å; F464-I468 HydrophobicContact CB-CD1 4.13Å; F464-I468 HydrophobicContact CD1-CD1 4.14Å; F464-I468 WeakPolarHBondContact O-CB 3.45Å; F464-I468 WeakPolarHBondContact O-CG1 3.4Å; F464-I468 PolarHBondContact O-N 3Å; F464-V483 HydrophobicContact CB-CG1 4.11Å; F464-V483 HydrophobicContact CB-CG2 4.26Å; F464-L486 HydrophobicContact CD1-CB 4.22Å; F464-L486 HydrophobicContact CD1-CD1 4.17Å; F464-L486 HydrophobicContact CD2-CB 4.43Å; F464-L486 HydrophobicContact CE1-CB 3.9Å; F464-L486 HydrophobicContact CE1-CD1 4.02Å; F464-L486 HydrophobicContact CE2-CB 4.16Å; F464-L486 HydrophobicContact CG-CB 4.49Å; F464-L486 HydrophobicContact CZ-CB 3.88Å; F464-C490 HydrophobicContact CE2-CB 4.21Å; F464-C490 HydrophobicContact CZ-CB 4.17Å; F464-I498 HydrophobicContact CD1-CG2 3.55Å; F464-I498 HydrophobicContact CD2-CD1 4.25Å; F464-I498 HydrophobicContact CD2-CG2 4.2Å; F464-I498 HydrophobicContact CE1-CB 4.41Å; F464-I498 HydrophobicContact CE1-CG1 4.42Å; F464-I498 HydrophobicContact CE1-CG2 3.48Å; F464-I498 VanDerWaalsContact CE1-CG2 3.48Å; F464-I498 HydrophobicContact CE2-CD1 3.88Å; F464-I498 HydrophobicContact CE2-CG1 3.91Å; F464-I498 HydrophobicContact CE2-CG2 4.11Å; F464-I498 HydrophobicContact CG-CG2 3.92Å; F464-I498 HydrophobicContact CZ-CB 4.3Å; F464-I498 HydrophobicContact CZ-CD1 4.31Å; F464-I498 HydrophobicContact CZ-CG1 3.82Å; F464-I498 HydrophobicContact CZ-CG2 3.75Å; F464-L501 HydrophobicContact CE1-CD1 4.42Å; F464-L501 HydrophobicContact CE1-CD2 4.46Å; F464-L501 HydrophobicContact CZ-CD1 4.36Å
465	A	93.6	Very high	92.3	Very high	36 Å²	36	52.5 Å²	52.5	30%	0.298	29%	0.289	S	S	.	.	H	α-helix	trans	-59.8	-42.1	178.3	0	0	0	0	0	112.1	K461 E462 I463 A469 V483	K461-A465 WeakPolarHBondContact O-CB 3.46Å; K461-A465 PolarHBondContact O-N 3.09Å; E462-A465 WeakPolarHBondContact O-CB 3.49Å; E462-A465 PolarHBondContact O-N 2.87Å; I463-A465 VanDerWaalsContact C-N 3.32Å; I463-A465 PolarHBondContact O-N 2.88Å; A465-A469 VanDerWaalsContact O-CB 3.29Å; A465-A469 WeakPolarHBondContact O-CB 3.5Å; A465-A469 PolarHBondContact O-N 3.1Å; A465-V483 HydrophobicContact CB-CG2 4.48Å
466	V	92.3	Very high	92.2	Very high	51 Å²	51	56.7 Å²	56.7	31%	0.309	31%	0.311	S	S	.	.	H	α-helix	trans	-67	-46.3	177.7	172.2	0	0	0	0	112.1	A286 E462 I463 F464	A286-V466 HydrophobicContact CB-CB 4.42Å; A286-V466 HydrophobicContact CB-CG2 3.87Å; E462-V466 PolarHBondContact O-N 3.27Å; I463-V466 PolarHBondContact O-N 3.19Å; F464-V466 VanDerWaalsContact C-N 3.32Å; F464-V466 PolarHBondContact O-N 3.05Å
467	Y	92.7	Very high	92.1	Very high	51 Å²	51	54.4 Å²	54.4	20%	0.2	30%	0.299	C	S	.	.	H	α-helix	trans	-72.1	-41.7	-179	-76.5	-64.3	0	0	0	112.7	I463 F464 A469 Q470 Y471 I498 A499	I463-Y467 HydrophobicContact CG2-CD2 3.62Å; I463-Y467 HydrophobicContact CG2-CE2 3.58Å; I463-Y467 VanDerWaalsContact O-CD2 3.28Å; I463-Y467 WeakPolarHBondContact O-CD2 3.41Å; I463-Y467 PolarHBondContact O-N 3.22Å; F464-Y467 PolarHBondContact O-N 2.97Å; Y467-A469 VanDerWaalsContact C-N 3.26Å; Y467-A469 PolarHBondContact O-N 3.04Å; Y467-Q470 WeakPolarHBondContact O-CB 3.36Å; Y467-Q470 PolarHBondContact O-N 2.84Å; Y467-Q470 VanDerWaalsContact O-N 3.1Å; Y467-Y471 WeakPolarHBondContact O-CD2 3.35Å; Y467-Y471 WeakPolarHBondContact O-CE2 3.48Å; Y467-I498 HydrophobicContact CD2-CG2 4.1Å; Y467-A499 HydrophobicContact CD1-CB 4.06Å; Y467-A499 HydrophobicContact CD2-CB 4.33Å; Y467-A499 HydrophobicContact CE1-CB 3.6Å; Y467-A499 HydrophobicContact CE2-CB 3.88Å; Y467-A499 HydrophobicContact CG-CB 4.41Å
468	I	93.3	Very high	92.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.8	-35.8	179.1	-70.4	170.2	0	0	0	110.9	F464 Q470 Y471 L473 Q479 L482 V483 L486 F524	F464-I468 HydrophobicContact CB-CD1 4.13Å; F464-I468 HydrophobicContact CD1-CD1 4.14Å; F464-I468 WeakPolarHBondContact O-CB 3.45Å; F464-I468 WeakPolarHBondContact O-CG1 3.4Å; F464-I468 PolarHBondContact O-N 3Å; I468-Q470 PolarHBondContact O-N 2.81Å; I468-Q470 VanDerWaalsContact O-N 3.1Å; I468-Y471 PolarHBondContact O-N 3.33Å; I468-Y471 VanDerWaalsContact O-N 3.08Å; I468-L473 HydrophobicContact CG2-CD1 3.71Å; I468-L473 HydrophobicContact CG2-CD2 4.02Å; I468-L473 HydrophobicContact CG2-CG 4.18Å; I468-Q479 HydrophobicContact CG2-CG 4.05Å; I468-L482 HydrophobicContact CD1-CD2 4.11Å; I468-L482 HydrophobicContact CD1-CG 4.37Å; I468-V483 HydrophobicContact CD1-CG2 3.78Å; I468-L486 HydrophobicContact CD1-CD1 4.22Å; I468-F524 HydrophobicContact CG1-CE1 4.28Å; I468-F524 HydrophobicContact CG1-CZ 4.26Å
469	A	90.8	Very high	92	Very high	70 Å²	70	55.6 Å²	55.6	58%	0.579	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-15.9	176.9	0	0	0	0	0	114.2	A465 Y467	A465-A469 VanDerWaalsContact O-CB 3.29Å; A465-A469 WeakPolarHBondContact O-CB 3.5Å; A465-A469 PolarHBondContact O-N 3.1Å; Y467-A469 VanDerWaalsContact C-N 3.26Å; Y467-A469 PolarHBondContact O-N 3.04Å
470	Q	91.2	Very high	91.9	Very high	129 Å²	129	60.3 Å²	60.3	60%	0.603	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-15.6	177	-59.7	175.7	8.3	0	0	113	Y467 I468	Y467-Q470 WeakPolarHBondContact O-CB 3.36Å; Y467-Q470 PolarHBondContact O-N 2.84Å; Y467-Q470 VanDerWaalsContact O-N 3.1Å; I468-Q470 PolarHBondContact O-N 2.81Å; I468-Q470 VanDerWaalsContact O-N 3.1Å
471	Y	92.6	Very high	91.7	Very high	57 Å²	57	64.3 Å²	64.3	22%	0.224	34%	0.344	C	S	.	.	S	Bend	trans	-110.7	149.4	-174.3	-59	-79.6	0	0	0	111.7	Y467 I468 L473 C502 N503 A506	Y467-Y471 WeakPolarHBondContact O-CD2 3.35Å; Y467-Y471 WeakPolarHBondContact O-CE2 3.48Å; I468-Y471 PolarHBondContact O-N 3.33Å; I468-Y471 VanDerWaalsContact O-N 3.08Å; Y471-L473 PolarHBondContact O-N 3.4Å; Y471-C502 HydrophobicContact CD2-CB 4.24Å; Y471-C502 HydrophobicContact CE2-CB 3.61Å; Y471-N503 WeakPolarHBondContact OH-CA 3.5Å; Y471-A506 HydrophobicContact CD1-CB 3.58Å; Y471-A506 HydrophobicContact CE1-CB 3.61Å; Y471-A506 HydrophobicContact CG-CB 4.46Å
472	Q	92	Very high	91.5	Very high	153 Å²	153	61.5 Å²	61.5	72%	0.715	33%	0.332	S	S	*	.			trans	-78	112.1	172.4	-66.9	178.5	2.3	0	0	109.3	G518 V519	Q472-G518 CarbonylContact O-C 3.54Å; Q472-G518 VanDerWaalsContact O-CA 3.26Å; Q472-G518 WeakPolarHBondContact O-CA 3.38Å; Q472-V519 PolarHBondContact O-N 3.49Å
473	L	92.8	Very high	91.5	Very high	45 Å²	45	58.8 Å²	58.8	24%	0.236	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-82.5	149.2	175.8	-64.6	-179.4	0	0	0	111.3	I468 Y471 V477 Q479 V519 F524	I468-L473 HydrophobicContact CG2-CD1 3.71Å; I468-L473 HydrophobicContact CG2-CD2 4.02Å; I468-L473 HydrophobicContact CG2-CG 4.18Å; Y471-L473 PolarHBondContact O-N 3.4Å; L473-V477 HydrophobicContact CB-CB 4.36Å; L473-V477 HydrophobicContact CD1-CG1 4.21Å; L473-Q479 HydrophobicContact CD1-CB 4.17Å; L473-Q479 HydrophobicContact CD1-CG 4.38Å; L473-V519 HydrophobicContact CD2-CB 4.41Å; L473-F524 HydrophobicContact CD2-CE2 3.84Å; L473-F524 HydrophobicContact CD2-CZ 4.12Å
474	A	91	Very high	91.3	Very high	2 Å²	2	63.3 Å²	63.3	2%	0.017	34%	0.341	C	S	.	.			trans	-66.3	150.6	170.3	0	0	0	0	0	110.7	D476 V477 V516 V519 T520	A474-D476 WeakPolarHBondContact CB-OD1 3.43Å; A474-D476 PolarHBondContact O-N 3.32Å; A474-D476 VanDerWaalsContact O-N 3.13Å; A474-V477 HydrophobicContact CB-CG2 4.13Å; A474-V477 WeakPolarHBondContact O-CB 3.44Å; A474-V477 PolarHBondContact O-N 3.36Å; A474-V516 HydrophobicContact CB-CG1 3.94Å; A474-V519 PolarHBondContact N-O 3.15Å; A474-T520 HydrophobicContact CB-CG2 3.84Å
475	P	88.3	Confident	90.9	Very high	129 Å²	129	67.5 Å²	67.5	84%	0.838	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.3	-171.2	25.6	-35.3	0	0	0	114.3	V477	P475-V477 VanDerWaalsContact C-N 3.31Å
476	D	89	Confident	90.8	Very high	97 Å²	97	65.9 Å²	65.9	52%	0.519	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-11.8	176.1	65.3	-45.7	0	0	0	113.5	A474	A474-D476 WeakPolarHBondContact CB-OD1 3.43Å; A474-D476 PolarHBondContact O-N 3.32Å; A474-D476 VanDerWaalsContact O-N 3.13Å
477	V	87.5	Confident	90.7	Very high	16 Å²	16	63.4 Å²	63.4	10%	0.097	33%	0.328	C	S	.	.			trans	-93	109.9	-172	-172.6	0	0	0	0	111.6	L473 A474 P475 Q479 L482 K521	L473-V477 HydrophobicContact CB-CB 4.36Å; L473-V477 HydrophobicContact CD1-CG1 4.21Å; A474-V477 HydrophobicContact CB-CG2 4.13Å; A474-V477 WeakPolarHBondContact O-CB 3.44Å; A474-V477 PolarHBondContact O-N 3.36Å; P475-V477 VanDerWaalsContact C-N 3.31Å; V477-Q479 PolarHBondContact O-N 3.36Å; V477-L482 HydrophobicContact CG1-CB 4.2Å; V477-L482 HydrophobicContact CG1-CD2 3.75Å; V477-L482 HydrophobicContact CG1-CG 4.5Å; V477-K521 HydrophobicContact CG1-CG 4.1Å; V477-K521 HydrophobicContact CG2-CG 4.05Å
478	V	90.5	Very high	90.4	Very high	84 Å²	84	63 Å²	63	51%	0.509	34%	0.336	S	S	.	.			trans	-77.8	111.6	167.1	-177	0	0	0	0	109.5	N480 E481 L482	V478-N480 PolarHBondContact O-N 3.19Å; V478-E481 HydrophobicContact CB-CB 4.14Å; V478-E481 HydrophobicContact CG1-CB 4.26Å; V478-E481 PolarHBondContact O-N 3.39Å; V478-L482 PolarHBondContact O-N 3.46Å; V478-L482 VanDerWaalsContact O-N 3.1Å
479	Q	89.9	Confident	90	Very high	73 Å²	73	64.7 Å²	64.7	34%	0.341	34%	0.342	S	S	.	.	H	α-helix	trans	-55	-45.8	-174.7	-176.5	177.7	-1.6	0	0	113.2	I468 L473 V477 E481 L482 V483	I468-Q479 HydrophobicContact CG2-CG 4.05Å; L473-Q479 HydrophobicContact CD1-CB 4.17Å; L473-Q479 HydrophobicContact CD1-CG 4.38Å; V477-Q479 PolarHBondContact O-N 3.36Å; Q479-E481 PolarHBondContact O-N 3.23Å; Q479-L482 PolarHBondContact O-N 3.31Å; Q479-V483 HydrophobicContact CG-CG2 4.34Å; Q479-V483 VanDerWaalsContact O-CG2 3.25Å; Q479-V483 WeakPolarHBondContact O-CG2 3.5Å; Q479-V483 PolarHBondContact O-N 3.46Å
480	N	91.2	Very high	89.7	Confident	123 Å²	123	61.4 Å²	61.4	66%	0.658	32%	0.315	S	S	*	.	H	α-helix	trans	-62.9	-45.1	-178.1	-69.3	-14.6	0	0	0	111.9	V478 L482 V483 E484	V478-N480 PolarHBondContact O-N 3.19Å; N480-L482 VanDerWaalsContact C-N 3.32Å; N480-L482 PolarHBondContact O-N 3.43Å; N480-V483 PolarHBondContact O-N 3.5Å; N480-E484 WeakPolarHBondContact O-CG 3.43Å; N480-E484 PolarHBondContact O-N 3.43Å
481	E	90.3	Very high	89.4	Confident	86 Å²	86	57.6 Å²	57.6	40%	0.402	30%	0.301	S	S	.	.	H	α-helix	trans	-61.6	-41.7	177.8	-169.7	-156.4	143.8	0	0	111.3	V478 Q479 E484 R485 K521	V478-E481 HydrophobicContact CB-CB 4.14Å; V478-E481 HydrophobicContact CG1-CB 4.26Å; V478-E481 PolarHBondContact O-N 3.39Å; Q479-E481 PolarHBondContact O-N 3.23Å; E481-E484 PolarHBondContact O-N 3.43Å; E481-R485 WeakPolarHBondContact O-CB 3.47Å; E481-R485 PolarHBondContact O-N 3.27Å; E481-K521 IonicContact OE1-NZ 3.71Å; E481-K521 PolarHBondContact OE1-NZ 3.43Å; E481-K521 IonicContact OE2-NZ 2.77Å; E481-K521 PolarHBondContact OE2-NZ 3.45Å
482	L	90.2	Very high	89	Confident	6 Å²	6	56.8 Å²	56.8	3%	0.031	31%	0.31	C	S	.	.	H	α-helix	trans	-63.5	-46.1	177	-179.8	65.8	0	0	0	111.6	I468 V477 V478 Q479 N480 E484 R485 L486 K521 F524	I468-L482 HydrophobicContact CD1-CD2 4.11Å; I468-L482 HydrophobicContact CD1-CG 4.37Å; V477-L482 HydrophobicContact CG1-CB 4.2Å; V477-L482 HydrophobicContact CG1-CD2 3.75Å; V477-L482 HydrophobicContact CG1-CG 4.5Å; V478-L482 PolarHBondContact O-N 3.46Å; V478-L482 VanDerWaalsContact O-N 3.1Å; Q479-L482 PolarHBondContact O-N 3.31Å; N480-L482 VanDerWaalsContact C-N 3.32Å; N480-L482 PolarHBondContact O-N 3.43Å; L482-E484 VanDerWaalsContact C-N 3.34Å; L482-E484 PolarHBondContact O-N 3.46Å; L482-R485 PolarHBondContact O-N 3.1Å; L482-L486 HydrophobicContact CD1-CD1 3.74Å; L482-L486 HydrophobicContact CD1-CD2 4.46Å; L482-L486 HydrophobicContact CD1-CG 3.88Å; L482-L486 HydrophobicContact CD2-CD1 4.35Å; L482-L486 HydrophobicContact CG-CD1 3.77Å; L482-L486 HydrophobicContact CG-CG 4.24Å; L482-L486 WeakPolarHBondContact O-CB 3.49Å; L482-L486 WeakPolarHBondContact O-CG 3.16Å; L482-L486 PolarHBondContact O-N 3.3Å; L482-K521 HydrophobicContact CD1-CG 4.45Å; L482-F524 HydrophobicContact CD1-CB 4.45Å; L482-F524 HydrophobicContact CD1-CD2 4.23Å; L482-F524 HydrophobicContact CD1-CG 4.4Å; L482-F524 HydrophobicContact CD2-CD2 3.67Å; L482-F524 HydrophobicContact CD2-CE2 3.52Å; L482-F524 HydrophobicContact CD2-CG 4.31Å; L482-F524 HydrophobicContact CD2-CZ 4.04Å
483	V	92.7	Very high	88.9	Confident	11 Å²	11	50.6 Å²	50.6	7%	0.067	28%	0.281	C	S	.	.	H	α-helix	trans	-59.7	-44.6	177.9	169	0	0	0	0	110.8	K461 F464 A465 I468 Q479 N480 S487	K461-V483 HydrophobicContact CB-CG1 3.91Å; K461-V483 HydrophobicContact CG-CG1 4.15Å; K461-V483 VanDerWaalsContact O-CG1 3.25Å; K461-V483 WeakPolarHBondContact O-CG1 3.49Å; F464-V483 HydrophobicContact CB-CG1 4.11Å; F464-V483 HydrophobicContact CB-CG2 4.26Å; A465-V483 HydrophobicContact CB-CG2 4.48Å; I468-V483 HydrophobicContact CD1-CG2 3.78Å; Q479-V483 HydrophobicContact CG-CG2 4.34Å; Q479-V483 VanDerWaalsContact O-CG2 3.25Å; Q479-V483 WeakPolarHBondContact O-CG2 3.5Å; Q479-V483 PolarHBondContact O-N 3.46Å; N480-V483 PolarHBondContact O-N 3.5Å; V483-S487 WeakPolarHBondContact O-CB 3.1Å; V483-S487 PolarHBondContact O-N 3.37Å; V483-S487 PolarHBondContact O-OG 3.46Å
484	E	90.5	Very high	88.9	Confident	111 Å²	111	48.7 Å²	48.7	52%	0.519	27%	0.272	S	S	.	.	H	α-helix	trans	-63.9	-43	178	-67.7	-158.3	134.9	0	0	112.4	K461 N480 E481 L482 S487 A488	K461-E484 IonicContact NZ-OE1 3.13Å; K461-E484 PolarHBondContact NZ-OE1 3.43Å; N480-E484 WeakPolarHBondContact O-CG 3.43Å; N480-E484 PolarHBondContact O-N 3.43Å; E481-E484 PolarHBondContact O-N 3.43Å; L482-E484 VanDerWaalsContact C-N 3.34Å; L482-E484 PolarHBondContact O-N 3.46Å; E484-S487 PolarHBondContact O-OG 3.5Å; E484-A488 PolarHBondContact O-N 3.12Å
485	R	87.4	Confident	89	Confident	87 Å²	87	49.1 Å²	49.1	33%	0.328	28%	0.276	S	S	.	.	H	α-helix	trans	-64.5	-50.9	177.7	-173.4	172.8	174.6	140.5	-7.2	111.7	E481 L482 A488 W489 E525	E481-R485 WeakPolarHBondContact O-CB 3.47Å; E481-R485 PolarHBondContact O-N 3.27Å; L482-R485 PolarHBondContact O-N 3.1Å; R485-A488 PolarHBondContact O-N 3.46Å; R485-W489 HydrophobicContact CG-CD2 4.18Å; R485-W489 HydrophobicContact CG-CH2 4.34Å; R485-W489 HydrophobicContact CG-CZ2 3.8Å; R485-W489 VanDerWaalsContact NH2-CH2 3.32Å; R485-W489 VanDerWaalsContact O-CG 3.23Å; R485-W489 PolarHBondContact O-N 2.86Å; R485-W489 VanDerWaalsContact O-N 3.15Å; R485-E525 IonicContact CZ-OE1 3.45Å; R485-E525 IonicContact NE-OE1 2.84Å; R485-E525 IonicContact NH2-OE1 2.82Å; R485-E525 PolarHBondContact NH2-OE1 3.01Å
486	L	90.5	Very high	89.3	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-66.6	-41.1	-177.7	-67.5	178.2	0	0	0	112.6	F464 I468 L482 A488 W489 C490 F524	F464-L486 HydrophobicContact CD1-CB 4.22Å; F464-L486 HydrophobicContact CD1-CD1 4.17Å; F464-L486 HydrophobicContact CD2-CB 4.43Å; F464-L486 HydrophobicContact CE1-CB 3.9Å; F464-L486 HydrophobicContact CE1-CD1 4.02Å; F464-L486 HydrophobicContact CE2-CB 4.16Å; F464-L486 HydrophobicContact CG-CB 4.49Å; F464-L486 HydrophobicContact CZ-CB 3.88Å; I468-L486 HydrophobicContact CD1-CD1 4.22Å; L482-L486 HydrophobicContact CD1-CD1 3.74Å; L482-L486 HydrophobicContact CD1-CD2 4.46Å; L482-L486 HydrophobicContact CD1-CG 3.88Å; L482-L486 HydrophobicContact CD2-CD1 4.35Å; L482-L486 HydrophobicContact CG-CD1 3.77Å; L482-L486 HydrophobicContact CG-CG 4.24Å; L482-L486 WeakPolarHBondContact O-CB 3.49Å; L482-L486 WeakPolarHBondContact O-CG 3.16Å; L482-L486 PolarHBondContact O-N 3.3Å; L486-A488 VanDerWaalsContact C-N 3.27Å; L486-A488 PolarHBondContact O-N 3.38Å; L486-W489 PolarHBondContact O-N 3.46Å; L486-W489 VanDerWaalsContact O-N 3.09Å; L486-C490 WeakPolarHBondContact O-CB 3.48Å; L486-C490 PolarHBondContact O-N 3.29Å; L486-C490 PolarHBondContact O-SG 3.45Å; L486-F524 HydrophobicContact CD1-CB 4.23Å; L486-F524 HydrophobicContact CD1-CD1 3.77Å; L486-F524 HydrophobicContact CD1-CE1 4.36Å; L486-F524 HydrophobicContact CD1-CG 4.07Å; L486-F524 HydrophobicContact CD2-CB 4.22Å
487	S	90.3	Very high	89.5	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.5	-32.7	178	58.3	0	0	0	0	113.1	R460 K461 V483 E484	R460-S487 PolarHBondContact NE-O 3.23Å; R460-S487 PolarHBondContact NH2-O 2.95Å; K461-S487 VanDerWaalsContact CG-OG 3.23Å; K461-S487 WeakPolarHBondContact CG-OG 3.42Å; V483-S487 WeakPolarHBondContact O-CB 3.1Å; V483-S487 PolarHBondContact O-N 3.37Å; V483-S487 PolarHBondContact O-OG 3.46Å; E484-S487 PolarHBondContact O-OG 3.5Å
488	A	86.7	Confident	89.8	Confident	43 Å²	43	42.9 Å²	42.9	36%	0.355	24%	0.242	S	C	.	.	H	α-helix	trans	-74.1	-32.2	173.4	0	0	0	0	0	112.7	E484 R485 L486 I596	E484-A488 PolarHBondContact O-N 3.12Å; R485-A488 PolarHBondContact O-N 3.46Å; L486-A488 VanDerWaalsContact C-N 3.27Å; L486-A488 PolarHBondContact O-N 3.38Å; A488-I596 WeakPolarHBondContact O-CG2 3.26Å
489	W	84.9	Confident	90	Very high	35 Å²	35	39.9 Å²	39.9	13%	0.133	23%	0.226	C	C	.	.	H	α-helix	trans	-82.1	-17	-177.8	-68.7	11.9	0	0	0	114.9	R485 L486 P491 E525 F528 V572 I596	R485-W489 HydrophobicContact CG-CD2 4.18Å; R485-W489 HydrophobicContact CG-CH2 4.34Å; R485-W489 HydrophobicContact CG-CZ2 3.8Å; R485-W489 VanDerWaalsContact NH2-CH2 3.32Å; R485-W489 VanDerWaalsContact O-CG 3.23Å; R485-W489 PolarHBondContact O-N 2.86Å; R485-W489 VanDerWaalsContact O-N 3.15Å; L486-W489 PolarHBondContact O-N 3.46Å; L486-W489 VanDerWaalsContact O-N 3.09Å; W489-P491 WeakPolarHBondContact O-CD 3.31Å; W489-E525 HydrophobicContact CH2-CG 4.36Å; W489-E525 WeakPolarHBondContact CH2-OE1 3.31Å; W489-E525 HydrophobicContact CZ3-CG 3.88Å; W489-F528 VanDerWaalsContact O-CZ 3.31Å; W489-F528 WeakPolarHBondContact O-CZ 3.5Å; W489-V572 HydrophobicContact CD2-CG1 4.39Å; W489-V572 HydrophobicContact CH2-CG1 3.84Å; W489-V572 HydrophobicContact CZ2-CG1 3.54Å; W489-V572 HydrophobicContact CZ3-CG1 4.41Å; W489-I596 HydrophobicContact CB-CD1 3.94Å; W489-I596 HydrophobicContact CD2-CD1 4.31Å; W489-I596 HydrophobicContact CG-CD1 3.53Å
490	C	85.3	Confident	90.2	Very high	1 Å²	1	43 Å²	43	1%	0.007	24%	0.235	C	C	.	.			trans	-111	51.8	-173.7	-60.3	0	0	0	0	113.1	R460 F464 L486 M493 F528	R460-C490 WeakPolarHBondContact CD-O 3.33Å; R460-C490 PolarHBondContact NE-O 3.34Å; F464-C490 HydrophobicContact CE2-CB 4.21Å; F464-C490 HydrophobicContact CZ-CB 4.17Å; L486-C490 WeakPolarHBondContact O-CB 3.48Å; L486-C490 PolarHBondContact O-N 3.29Å; L486-C490 PolarHBondContact O-SG 3.45Å; C490-M493 HydrophobicContact CB-CB 4.26Å; C490-M493 HydrophobicContact CB-CG 4.02Å; C490-M493 HydrophobicContact CB-SD 3.42Å; C490-M493 WeakPolarHBondContact CB-SD 3.44Å; C490-F528 HydrophobicContact CB-CE2 4.44Å; C490-F528 WeakPolarHBondContact SG-CE2 3.41Å
491	P	84.8	Confident	90.3	Very high	49 Å²	49	37.1 Å²	37.1	32%	0.318	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	139.5	176.4	30.5	-33.6	0	0	0	110.4	W489 M493 E599	W489-P491 WeakPolarHBondContact O-CD 3.31Å; P491-M493 PolarHBondContact O-N 3.11Å; P491-E599 WeakPolarHBondContact CA-OE1 3.35Å; P491-E599 HydrophobicContact CB-CG 3.83Å; P491-E599 VanDerWaalsContact CB-OE1 3.3Å; P491-E599 WeakPolarHBondContact CB-OE1 3.35Å
492	G	84.2	Confident	90.6	Very high	40 Å²	40	33 Å²	33	41%	0.412	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	72	4.4	179	0	0	0	0	0	116.5	L454	L454-G492 WeakPolarHBondContact CD1-O 3.34Å
493	M	89.9	Confident	90.8	Very high	23 Å²	23	36.3 Å²	36.3	11%	0.113	20%	0.202	C	C	.	.			trans	-75.7	136.7	173.3	-70.3	-173.8	75.8	0	0	111.1	P455 C490 P491 D497 I498 L501 F528 I531	P455-M493 WeakPolarHBondContact CD-O 3.27Å; P455-M493 VanDerWaalsContact CG-O 3.3Å; P455-M493 WeakPolarHBondContact CG-O 3.4Å; C490-M493 HydrophobicContact CB-CB 4.26Å; C490-M493 HydrophobicContact CB-CG 4.02Å; C490-M493 HydrophobicContact CB-SD 3.42Å; C490-M493 WeakPolarHBondContact CB-SD 3.44Å; P491-M493 PolarHBondContact O-N 3.11Å; M493-D497 HydrophobicContact CB-CB 4.04Å; M493-D497 HydrophobicContact CE-CB 3.55Å; M493-D497 HydrophobicContact CG-CB 4.39Å; M493-I498 HydrophobicContact CB-CG1 4.28Å; M493-L501 HydrophobicContact CE-CD1 4.22Å; M493-L501 HydrophobicContact SD-CD1 4.46Å; M493-F528 HydrophobicContact SD-CD2 4.39Å; M493-F528 HydrophobicContact SD-CE2 3.89Å; M493-I531 HydrophobicContact CE-CG2 4.43Å
494	S	93	Very high	90.9	Very high	4 Å²	4	37.5 Å²	37.5	3%	0.028	21%	0.207	C	C	.	.			trans	-75.6	168	173.8	73.2	0	0	0	0	111.7	A496 D497 I498	S494-A496 PolarHBondContact O-N 3.44Å; S494-D497 WeakPolarHBondContact CB-OD2 3.32Å; S494-D497 PolarHBondContact N-OD2 3.39Å; S494-D497 PolarHBondContact O-N 3.48Å; S494-D497 VanDerWaalsContact O-N 3.11Å; S494-D497 PolarHBondContact OG-N 3.23Å; S494-D497 PolarHBondContact OG-OD2 3.27Å; S494-I498 WeakPolarHBondContact O-CG1 3.38Å; S494-I498 PolarHBondContact O-N 3.44Å
495	G	92.7	Very high	91	Very high	11 Å²	11	32.2 Å²	32.2	11%	0.113	18%	0.182	C	C	.	.	H	α-helix	trans	-58.6	-36.5	174.4	0	0	0	0	0	112.8	G326 I498 A499	G326-G495 PolarHBondContact O-N 2.67Å; G495-I498 PolarHBondContact O-N 2.95Å; G495-A499 PolarHBondContact O-N 3.2Å
496	A	93.2	Very high	91.3	Very high	49 Å²	49	29 Å²	29	41%	0.405	18%	0.175	S	C	.	.	H	α-helix	trans	-67.6	-36.8	174.6	0	0	0	0	0	112.8	G326 S494 A499 R500	G326-A496 PolarHBondContact O-N 3.49Å; S494-A496 PolarHBondContact O-N 3.44Å; A496-A499 PolarHBondContact O-N 3.07Å; A496-R500 WeakPolarHBondContact O-CB 3.49Å; A496-R500 PolarHBondContact O-N 3.38Å
497	D	93.2	Very high	91.4	Very high	62 Å²	62	32.4 Å²	32.4	33%	0.332	19%	0.192	S	C	.	.	H	α-helix	trans	-67.9	-38.5	176.3	-60.1	-49.1	0	0	0	111.3	M493 S494 R500 L501	M493-D497 HydrophobicContact CB-CB 4.04Å; M493-D497 HydrophobicContact CE-CB 3.55Å; M493-D497 HydrophobicContact CG-CB 4.39Å; S494-D497 WeakPolarHBondContact CB-OD2 3.32Å; S494-D497 PolarHBondContact N-OD2 3.39Å; S494-D497 PolarHBondContact O-N 3.48Å; S494-D497 VanDerWaalsContact O-N 3.11Å; S494-D497 PolarHBondContact OG-N 3.23Å; S494-D497 PolarHBondContact OG-OD2 3.27Å; D497-R500 WeakPolarHBondContact O-CB 3.38Å; D497-R500 PolarHBondContact O-N 3.32Å; D497-L501 PolarHBondContact O-N 3.29Å
498	I	94.6	Very high	91.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.5	-46.3	173.8	-67.5	169.5	0	0	0	110.6	R460 I463 F464 Y467 M493 S494 G495 R500 L501 C502	R460-I498 HydrophobicContact CB-CD1 4.4Å; R460-I498 HydrophobicContact CG-CD1 4.04Å; I463-I498 HydrophobicContact CB-CD1 4.29Å; I463-I498 HydrophobicContact CG2-CB 4.15Å; I463-I498 HydrophobicContact CG2-CD1 3.89Å; I463-I498 HydrophobicContact CG2-CG2 3.86Å; F464-I498 HydrophobicContact CD1-CG2 3.55Å; F464-I498 HydrophobicContact CD2-CD1 4.25Å; F464-I498 HydrophobicContact CD2-CG2 4.2Å; F464-I498 HydrophobicContact CE1-CB 4.41Å; F464-I498 HydrophobicContact CE1-CG1 4.42Å; F464-I498 HydrophobicContact CE1-CG2 3.48Å; F464-I498 VanDerWaalsContact CE1-CG2 3.48Å; F464-I498 HydrophobicContact CE2-CD1 3.88Å; F464-I498 HydrophobicContact CE2-CG1 3.91Å; F464-I498 HydrophobicContact CE2-CG2 4.11Å; F464-I498 HydrophobicContact CG-CG2 3.92Å; F464-I498 HydrophobicContact CZ-CB 4.3Å; F464-I498 HydrophobicContact CZ-CD1 4.31Å; F464-I498 HydrophobicContact CZ-CG1 3.82Å; F464-I498 HydrophobicContact CZ-CG2 3.75Å; Y467-I498 HydrophobicContact CD2-CG2 4.1Å; M493-I498 HydrophobicContact CB-CG1 4.28Å; S494-I498 WeakPolarHBondContact O-CG1 3.38Å; S494-I498 PolarHBondContact O-N 3.44Å; G495-I498 PolarHBondContact O-N 2.95Å; I498-R500 VanDerWaalsContact C-N 3.27Å; I498-R500 PolarHBondContact O-N 3.12Å; I498-L501 WeakPolarHBondContact O-CB 3.49Å; I498-L501 PolarHBondContact O-N 3.37Å; I498-L501 VanDerWaalsContact O-N 3.13Å; I498-C502 PolarHBondContact O-N 3.12Å; I498-C502 PolarHBondContact O-SG 3.49Å
499	A	93.9	Very high	91.6	Very high	22 Å²	22	32.2 Å²	32.2	18%	0.182	19%	0.189	C	C	.	.	H	α-helix	trans	-58.2	-42.2	175.8	0	0	0	0	0	111.6	Y467 G495 A496 C502 N503	Y467-A499 HydrophobicContact CD1-CB 4.06Å; Y467-A499 HydrophobicContact CD2-CB 4.33Å; Y467-A499 HydrophobicContact CE1-CB 3.6Å; Y467-A499 HydrophobicContact CE2-CB 3.88Å; Y467-A499 HydrophobicContact CG-CB 4.41Å; G495-A499 PolarHBondContact O-N 3.2Å; A496-A499 PolarHBondContact O-N 3.07Å; A499-C502 PolarHBondContact O-N 3.32Å; A499-N503 WeakPolarHBondContact O-CB 3.33Å; A499-N503 PolarHBondContact O-N 3.43Å
500	R	94.6	Very high	91.9	Very high	137 Å²	137	34.5 Å²	34.5	52%	0.517	22%	0.216	S	C	.	.	H	α-helix	trans	-61.7	-43	175.1	-179.9	-177.9	176.6	-173.1	-2.2	111.9	A496 D497 I498 N503 E504 I531	A496-R500 WeakPolarHBondContact O-CB 3.49Å; A496-R500 PolarHBondContact O-N 3.38Å; D497-R500 WeakPolarHBondContact O-CB 3.38Å; D497-R500 PolarHBondContact O-N 3.32Å; I498-R500 VanDerWaalsContact C-N 3.27Å; I498-R500 PolarHBondContact O-N 3.12Å; R500-N503 PolarHBondContact O-N 3.46Å; R500-E504 HydrophobicContact CG-CG 4.47Å; R500-E504 WeakPolarHBondContact O-CB 3.47Å; R500-E504 WeakPolarHBondContact O-CG 3.3Å; R500-E504 PolarHBondContact O-N 3.32Å; R500-I531 HydrophobicContact CG-CD1 4.22Å
501	L	94.3	Very high	92.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.8	-51	176.8	-172.8	168.6	0	0	0	111.3	F464 M493 D497 I498 N503 E504 A505 F524 F528 I531	F464-L501 HydrophobicContact CE1-CD1 4.42Å; F464-L501 HydrophobicContact CE1-CD2 4.46Å; F464-L501 HydrophobicContact CZ-CD1 4.36Å; M493-L501 HydrophobicContact CE-CD1 4.22Å; M493-L501 HydrophobicContact SD-CD1 4.46Å; D497-L501 PolarHBondContact O-N 3.29Å; I498-L501 WeakPolarHBondContact O-CB 3.49Å; I498-L501 PolarHBondContact O-N 3.37Å; I498-L501 VanDerWaalsContact O-N 3.13Å; L501-N503 VanDerWaalsContact C-N 3.29Å; L501-N503 PolarHBondContact O-N 3.25Å; L501-E504 PolarHBondContact O-N 3.44Å; L501-A505 PolarHBondContact O-N 3.46Å; L501-F524 HydrophobicContact CD2-CD1 3.77Å; L501-F528 HydrophobicContact CD1-CB 4.24Å; L501-F528 HydrophobicContact CD1-CD2 3.67Å; L501-F528 HydrophobicContact CD1-CG 4.44Å; L501-I531 VanDerWaalsContact CA-CD1 3.45Å; L501-I531 HydrophobicContact CB-CD1 3.72Å; L501-I531 HydrophobicContact CG-CD1 4.19Å
502	C	95.4	Very high	92	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.2	-40.7	178.4	-63.6	0	0	0	0	111.8	Y471 I498 A499 A505 A506 F524	Y471-C502 HydrophobicContact CD2-CB 4.24Å; Y471-C502 HydrophobicContact CE2-CB 3.61Å; I498-C502 PolarHBondContact O-N 3.12Å; I498-C502 PolarHBondContact O-SG 3.49Å; A499-C502 PolarHBondContact O-N 3.32Å; C502-A505 WeakPolarHBondContact O-CB 3.29Å; C502-A505 PolarHBondContact O-N 3.4Å; C502-A506 PolarHBondContact O-N 3.42Å; C502-F524 HydrophobicContact CB-CE1 4.42Å
503	N	95.4	Very high	91.5	Very high	75 Å²	75	47.8 Å²	47.8	40%	0.401	26%	0.26	S	S	.	.	H	α-helix	trans	-67.2	-42	177	-170.2	52.9	0	0	0	112.8	Y471 A499 R500 L501 A505 A506 L507	Y471-N503 WeakPolarHBondContact OH-CA 3.5Å; A499-N503 WeakPolarHBondContact O-CB 3.33Å; A499-N503 PolarHBondContact O-N 3.43Å; R500-N503 PolarHBondContact O-N 3.46Å; L501-N503 VanDerWaalsContact C-N 3.29Å; L501-N503 PolarHBondContact O-N 3.25Å; N503-A505 VanDerWaalsContact C-N 3.28Å; N503-A505 PolarHBondContact O-N 3.45Å; N503-A506 PolarHBondContact O-N 3.36Å; N503-L507 WeakPolarHBondContact O-CG 3.3Å; N503-L507 PolarHBondContact O-N 3.5Å
504	E	93.6	Very high	90.6	Very high	37 Å²	37	51.5 Å²	51.5	17%	0.173	28%	0.28	C	S	.	.	H	α-helix	trans	-64	-33.5	174.9	-78.2	-67.5	159.1	0	0	112.3	R500 L501 L507 S508 A527 R530	R500-E504 HydrophobicContact CG-CG 4.47Å; R500-E504 WeakPolarHBondContact O-CB 3.47Å; R500-E504 WeakPolarHBondContact O-CG 3.3Å; R500-E504 PolarHBondContact O-N 3.32Å; L501-E504 PolarHBondContact O-N 3.44Å; E504-L507 PolarHBondContact O-N 3.4Å; E504-S508 WeakPolarHBondContact O-CB 3.46Å; E504-S508 PolarHBondContact O-N 3.42Å; E504-A527 HydrophobicContact CB-CB 3.8Å; E504-R530 IonicContact OE2-NE 3.11Å
505	A	94.2	Very high	89.6	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-65.2	-44.5	173.3	0	0	0	0	0	111	L501 C502 N503 L507 S508 A509 V519 D523 F524 A527	L501-A505 PolarHBondContact O-N 3.46Å; C502-A505 WeakPolarHBondContact O-CB 3.29Å; C502-A505 PolarHBondContact O-N 3.4Å; N503-A505 VanDerWaalsContact C-N 3.28Å; N503-A505 PolarHBondContact O-N 3.45Å; A505-L507 PolarHBondContact O-N 2.87Å; A505-S508 WeakPolarHBondContact O-CB 3.46Å; A505-S508 PolarHBondContact O-N 3.1Å; A505-S508 VanDerWaalsContact O-N 3.15Å; A505-A509 PolarHBondContact O-N 3.4Å; A505-V519 HydrophobicContact CB-CG1 3.93Å; A505-D523 HydrophobicContact CB-CB 4.42Å; A505-F524 HydrophobicContact CB-CB 4.42Å; A505-F524 HydrophobicContact CB-CD1 3.54Å; A505-F524 HydrophobicContact CB-CD2 4.36Å; A505-F524 HydrophobicContact CB-CE1 3.78Å; A505-F524 HydrophobicContact CB-CG 3.85Å; A505-F524 HydrophobicContact CB-CZ 4.29Å; A505-A527 HydrophobicContact CB-CB 3.91Å
506	A	93.4	Very high	89	Confident	20 Å²	20	63.4 Å²	63.4	17%	0.165	34%	0.337	C	S	.	.	H	α-helix	trans	-62.3	-41.9	174.4	0	0	0	0	0	112.3	Y471 C502 N503 S508 A509 A510 V519	Y471-A506 HydrophobicContact CD1-CB 3.58Å; Y471-A506 HydrophobicContact CE1-CB 3.61Å; Y471-A506 HydrophobicContact CG-CB 4.46Å; C502-A506 PolarHBondContact O-N 3.42Å; N503-A506 PolarHBondContact O-N 3.36Å; A506-S508 VanDerWaalsContact C-N 3.3Å; A506-S508 PolarHBondContact O-N 2.87Å; A506-A509 PolarHBondContact O-N 2.92Å; A506-A510 WeakPolarHBondContact O-CB 3.22Å; A506-A510 PolarHBondContact O-N 3.46Å; A506-V519 HydrophobicContact CB-CG2 4.22Å
507	L	92.5	Very high	88.6	Confident	73 Å²	73	66.4 Å²	66.4	38%	0.382	35%	0.35	S	S	.	.	H	α-helix	trans	-66.7	-31.4	173.9	-69.2	174.5	0	0	0	112.5	N503 E504 A505 R511	N503-L507 WeakPolarHBondContact O-CG 3.3Å; N503-L507 PolarHBondContact O-N 3.5Å; E504-L507 PolarHBondContact O-N 3.4Å; A505-L507 PolarHBondContact O-N 2.87Å; L507-R511 WeakPolarHBondContact O-CG 3.34Å; L507-R511 PolarHBondContact O-N 3.48Å; L507-R511 PolarHBondContact O-NE 3.5Å
508	S	90	Very high	88.4	Confident	20 Å²	20	64.3 Å²	64.3	14%	0.14	34%	0.343	C	S	.	.	H	α-helix	trans	-65.2	-49.3	172.6	-171.9	0	0	0	0	110.7	E504 A505 A506 A510 R511 R512 D523	E504-S508 WeakPolarHBondContact O-CB 3.46Å; E504-S508 PolarHBondContact O-N 3.42Å; A505-S508 WeakPolarHBondContact O-CB 3.46Å; A505-S508 PolarHBondContact O-N 3.1Å; A505-S508 VanDerWaalsContact O-N 3.15Å; A506-S508 VanDerWaalsContact C-N 3.3Å; A506-S508 PolarHBondContact O-N 2.87Å; S508-A510 VanDerWaalsContact C-N 3.29Å; S508-A510 PolarHBondContact O-N 3.37Å; S508-R511 PolarHBondContact O-N 3.41Å; S508-R512 PolarHBondContact O-N 3.18Å; S508-D523 PolarHBondContact OG-OD1 3.25Å
509	A	91.6	Very high	88.3	Confident	18 Å²	18	64.7 Å²	64.7	15%	0.149	35%	0.345	C	S	.	.	H	α-helix	trans	-58	-42.8	176.1	0	0	0	0	0	111.6	A505 A506 R511 R512 V519 D523	A505-A509 PolarHBondContact O-N 3.4Å; A506-A509 PolarHBondContact O-N 2.92Å; A509-R511 PolarHBondContact O-N 3.36Å; A509-R512 PolarHBondContact O-N 2.94Å; A509-R512 VanDerWaalsContact O-N 3.16Å; A509-V519 HydrophobicContact CB-CB 4.38Å; A509-V519 HydrophobicContact CB-CG1 4.44Å; A509-V519 HydrophobicContact CB-CG2 4.05Å; A509-D523 WeakPolarHBondContact CB-OD2 3.49Å; A509-D523 PolarHBondContact N-OD1 3.14Å
510	A	91.3	Very high	88.2	Confident	84 Å²	84	64.5 Å²	64.5	69%	0.694	34%	0.342	S	S	*	.	H	α-helix	trans	-66.8	-17.5	177.6	0	0	0	0	0	114.5	A506 S508	A506-A510 WeakPolarHBondContact O-CB 3.22Å; A506-A510 PolarHBondContact O-N 3.46Å; S508-A510 VanDerWaalsContact C-N 3.29Å; S508-A510 PolarHBondContact O-N 3.37Å
511	R	88.1	Confident	88	Confident	135 Å²	135	60.5 Å²	60.5	51%	0.509	33%	0.328	S	S	.	.	H	α-helix	trans	-91.8	-13.3	175.4	-75.4	-175.7	-60.3	-102.2	1.1	113.3	L507 S508 A509	L507-R511 WeakPolarHBondContact O-CG 3.34Å; L507-R511 PolarHBondContact O-N 3.48Å; L507-R511 PolarHBondContact O-NE 3.5Å; S508-R511 PolarHBondContact O-N 3.41Å; A509-R511 PolarHBondContact O-N 3.36Å
512	R	83.9	Confident	87.8	Confident	62 Å²	62	63.5 Å²	63.5	23%	0.234	35%	0.353	C	S	.	.			trans	-74.5	136.1	176.9	-64.9	-170	-73.1	108	6.6	108.3	S508 A509 D514 G518 D523	S508-R512 PolarHBondContact O-N 3.18Å; A509-R512 PolarHBondContact O-N 2.94Å; A509-R512 VanDerWaalsContact O-N 3.16Å; R512-D514 HydrophobicContact CB-CB 4.25Å; R512-D514 WeakPolarHBondContact CD-OD2 3.5Å; R512-D514 IonicContact CZ-OD2 3.85Å; R512-D514 IonicContact NH1-OD2 2.87Å; R512-D514 PolarHBondContact NH1-OD2 3.49Å; R512-D514 PolarHBondContact O-N 2.91Å; R512-G518 PolarHBondContact NH2-O 2.99Å; R512-D523 WeakPolarHBondContact CD-OD1 3.44Å; R512-D523 IonicContact CZ-OD1 3.8Å; R512-D523 IonicContact CZ-OD2 3.25Å; R512-D523 VanDerWaalsContact CZ-OD2 3.25Å; R512-D523 IonicContact NE-OD1 2.87Å; R512-D523 PolarHBondContact NE-OD1 2.93Å; R512-D523 IonicContact NE-OD2 3.13Å; R512-D523 PolarHBondContact NE-OD2 3.46Å; R512-D523 VanDerWaalsContact NE-OD2 3.13Å; R512-D523 IonicContact NH2-OD1 3.94Å; R512-D523 IonicContact NH2-OD2 2.7Å; R512-D523 PolarHBondContact NH2-OD2 3.45Å
513	D	73.3	Confident	87.6	Confident	172 Å²	172	63.8 Å²	63.8	92%	0.92	35%	0.354	S	S	*	.			trans	-77.2	3.7	171.4	-64.3	-43.2	0	0	0	111.8
514	D	70.7	Confident	87.5	Confident	100 Å²	100	60.2 Å²	60.2	54%	0.535	34%	0.335	S	S	.	.			trans	-70.7	146.8	-172	-62.9	-29.3	0	0	0	112.9	R512 V516	R512-D514 HydrophobicContact CB-CB 4.25Å; R512-D514 WeakPolarHBondContact CD-OD2 3.5Å; R512-D514 IonicContact CZ-OD2 3.85Å; R512-D514 IonicContact NH1-OD2 2.87Å; R512-D514 PolarHBondContact NH1-OD2 3.49Å; R512-D514 PolarHBondContact O-N 2.91Å; D514-V516 PolarHBondContact O-N 3.32Å
515	E	71.4	Confident	87.2	Confident	195 Å²	195	60.2 Å²	60.2	91%	0.911	34%	0.335	S	S	*	.	S	Bend	trans	-69.6	-7.8	175	-62	-175.8	165.8	0	0	113.9	V517	E515-V517 PolarHBondContact O-N 2.89Å; E515-V517 VanDerWaalsContact O-N 3.11Å
516	V	80.6	Confident	86.9	Confident	70 Å²	70	62.2 Å²	62.2	42%	0.424	35%	0.352	S	S	.	.			trans	-73.2	107.7	-177.3	-176.7	0	0	0	0	110	A474 D514 G518 T520	A474-V516 HydrophobicContact CB-CG1 3.94Å; D514-V516 PolarHBondContact O-N 3.32Å; V516-G518 PolarHBondContact O-N 3.39Å; V516-T520 HydrophobicContact CG1-CG2 4.13Å
517	V	84.5	Confident	86.7	Confident	113 Å²	113	61.4 Å²	61.4	69%	0.685	35%	0.345	S	S	*	.			trans	-71.5	112.1	174.6	-175.8	0	0	0	0	109.5	E515	E515-V517 PolarHBondContact O-N 2.89Å; E515-V517 VanDerWaalsContact O-N 3.11Å
518	G	89	Confident	86.5	Confident	17 Å²	17	58.7 Å²	58.7	18%	0.175	33%	0.33	C	S	.	.	S	Bend	trans	118.5	170	172.8	0	0	0	0	0	114.7	Q472 R512 V516	Q472-G518 CarbonylContact O-C 3.54Å; Q472-G518 VanDerWaalsContact O-CA 3.26Å; Q472-G518 WeakPolarHBondContact O-CA 3.38Å; R512-G518 PolarHBondContact NH2-O 2.99Å; V516-G518 PolarHBondContact O-N 3.39Å
519	V	92.5	Very high	86.1	Confident	9 Å²	9	58.5 Å²	58.5	6%	0.055	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-80.8	125	-179.9	-170.1	0	0	0	0	109.8	Q472 L473 A474 A505 A506 A509 D523 F524	Q472-V519 PolarHBondContact O-N 3.49Å; L473-V519 HydrophobicContact CD2-CB 4.41Å; A474-V519 PolarHBondContact N-O 3.15Å; A505-V519 HydrophobicContact CB-CG1 3.93Å; A506-V519 HydrophobicContact CB-CG2 4.22Å; A509-V519 HydrophobicContact CB-CB 4.38Å; A509-V519 HydrophobicContact CB-CG1 4.44Å; A509-V519 HydrophobicContact CB-CG2 4.05Å; V519-D523 HydrophobicContact CG1-CB 3.78Å; V519-F524 HydrophobicContact CB-CE2 4.13Å; V519-F524 HydrophobicContact CG1-CD2 3.88Å; V519-F524 HydrophobicContact CG1-CE2 3.43Å; V519-F524 VanDerWaalsContact CG1-CE2 3.43Å; V519-F524 HydrophobicContact CG1-CZ 3.93Å
520	T	92.5	Very high	85.7	Confident	18 Å²	18	62.5 Å²	62.5	11%	0.11	34%	0.338	C	S	.	.			trans	-92.3	164.7	-178.6	63.9	0	0	0	0	111.8	A474 V516 A522 D523 F524	A474-T520 HydrophobicContact CB-CG2 3.84Å; V516-T520 HydrophobicContact CG1-CG2 4.13Å; T520-A522 PolarHBondContact O-N 2.96Å; T520-D523 PolarHBondContact N-OD2 3.47Å; T520-D523 WeakPolarHBondContact O-CB 3.23Å; T520-D523 PolarHBondContact O-N 2.97Å; T520-D523 VanDerWaalsContact O-N 3.16Å; T520-D523 VanDerWaalsContact OG1-CG 3.28Å; T520-D523 PolarHBondContact OG1-N 3.34Å; T520-D523 PolarHBondContact OG1-OD2 3.06Å; T520-F524 WeakPolarHBondContact O-CD2 3.47Å; T520-F524 PolarHBondContact O-N 3.11Å
521	K	90.9	Very high	85.4	Confident	53 Å²	53	60.7 Å²	60.7	23%	0.23	32%	0.316	C	S	.	.	H	α-helix	trans	-55.1	-41.8	172	-67.4	-176	-179.7	-178.5	0	111.3	V477 E481 L482 D523 F524 E525	V477-K521 HydrophobicContact CG1-CG 4.1Å; V477-K521 HydrophobicContact CG2-CG 4.05Å; E481-K521 IonicContact OE1-NZ 3.71Å; E481-K521 PolarHBondContact OE1-NZ 3.43Å; E481-K521 IonicContact OE2-NZ 2.77Å; E481-K521 PolarHBondContact OE2-NZ 3.45Å; L482-K521 HydrophobicContact CD1-CG 4.45Å; K521-D523 VanDerWaalsContact C-N 3.3Å; K521-D523 PolarHBondContact O-N 2.71Å; K521-F524 PolarHBondContact O-N 2.94Å; K521-E525 WeakPolarHBondContact O-CG 3.39Å; K521-E525 PolarHBondContact O-N 3.42Å
522	A	88.7	Confident	84.9	Confident	63 Å²	63	59.1 Å²	59.1	52%	0.521	32%	0.318	S	S	.	.	H	α-helix	trans	-62.7	-32.9	179.9	0	0	0	0	0	113.2	T520 E525 A526	T520-A522 PolarHBondContact O-N 2.96Å; A522-E525 PolarHBondContact O-N 3.32Å; A522-A526 WeakPolarHBondContact O-CB 3.25Å; A522-A526 PolarHBondContact O-N 3.13Å
523	D	92.2	Very high	84.5	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.027	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-39.7	175.6	-68.1	-53.6	0	0	0	112.1	A505 S508 A509 R512 V519 T520 K521 A527	A505-D523 HydrophobicContact CB-CB 4.42Å; S508-D523 PolarHBondContact OG-OD1 3.25Å; A509-D523 WeakPolarHBondContact CB-OD2 3.49Å; A509-D523 PolarHBondContact N-OD1 3.14Å; R512-D523 WeakPolarHBondContact CD-OD1 3.44Å; R512-D523 IonicContact CZ-OD1 3.8Å; R512-D523 IonicContact CZ-OD2 3.25Å; R512-D523 VanDerWaalsContact CZ-OD2 3.25Å; R512-D523 IonicContact NE-OD1 2.87Å; R512-D523 PolarHBondContact NE-OD1 2.93Å; R512-D523 IonicContact NE-OD2 3.13Å; R512-D523 PolarHBondContact NE-OD2 3.46Å; R512-D523 VanDerWaalsContact NE-OD2 3.13Å; R512-D523 IonicContact NH2-OD1 3.94Å; R512-D523 IonicContact NH2-OD2 2.7Å; R512-D523 PolarHBondContact NH2-OD2 3.45Å; V519-D523 HydrophobicContact CG1-CB 3.78Å; T520-D523 PolarHBondContact N-OD2 3.47Å; T520-D523 WeakPolarHBondContact O-CB 3.23Å; T520-D523 PolarHBondContact O-N 2.97Å; T520-D523 VanDerWaalsContact O-N 3.16Å; T520-D523 VanDerWaalsContact OG1-CG 3.28Å; T520-D523 PolarHBondContact OG1-N 3.34Å; T520-D523 PolarHBondContact OG1-OD2 3.06Å; K521-D523 VanDerWaalsContact C-N 3.3Å; K521-D523 PolarHBondContact O-N 2.71Å; D523-A527 VanDerWaalsContact O-CB 3.25Å; D523-A527 WeakPolarHBondContact O-CB 3.44Å; D523-A527 PolarHBondContact O-N 3.46Å
524	F	92.1	Very high	84.7	Confident	1 Å²	1	49.7 Å²	49.7	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-66.1	-40.9	175.1	-75.1	-81	0	0	0	112	I468 L473 L482 L486 L501 C502 A505 V519 T520 K521 A527 F528	I468-F524 HydrophobicContact CG1-CE1 4.28Å; I468-F524 HydrophobicContact CG1-CZ 4.26Å; L473-F524 HydrophobicContact CD2-CE2 3.84Å; L473-F524 HydrophobicContact CD2-CZ 4.12Å; L482-F524 HydrophobicContact CD1-CB 4.45Å; L482-F524 HydrophobicContact CD1-CD2 4.23Å; L482-F524 HydrophobicContact CD1-CG 4.4Å; L482-F524 HydrophobicContact CD2-CD2 3.67Å; L482-F524 HydrophobicContact CD2-CE2 3.52Å; L482-F524 HydrophobicContact CD2-CG 4.31Å; L482-F524 HydrophobicContact CD2-CZ 4.04Å; L486-F524 HydrophobicContact CD1-CB 4.23Å; L486-F524 HydrophobicContact CD1-CD1 3.77Å; L486-F524 HydrophobicContact CD1-CE1 4.36Å; L486-F524 HydrophobicContact CD1-CG 4.07Å; L486-F524 HydrophobicContact CD2-CB 4.22Å; L501-F524 HydrophobicContact CD2-CD1 3.77Å; C502-F524 HydrophobicContact CB-CE1 4.42Å; A505-F524 HydrophobicContact CB-CB 4.42Å; A505-F524 HydrophobicContact CB-CD1 3.54Å; A505-F524 HydrophobicContact CB-CD2 4.36Å; A505-F524 HydrophobicContact CB-CE1 3.78Å; A505-F524 HydrophobicContact CB-CG 3.85Å; A505-F524 HydrophobicContact CB-CZ 4.29Å; V519-F524 HydrophobicContact CB-CE2 4.13Å; V519-F524 HydrophobicContact CG1-CD2 3.88Å; V519-F524 HydrophobicContact CG1-CE2 3.43Å; V519-F524 VanDerWaalsContact CG1-CE2 3.43Å; V519-F524 HydrophobicContact CG1-CZ 3.93Å; T520-F524 WeakPolarHBondContact O-CD2 3.47Å; T520-F524 PolarHBondContact O-N 3.11Å; K521-F524 PolarHBondContact O-N 2.94Å; F524-A527 PolarHBondContact O-N 2.94Å; F524-F528 WeakPolarHBondContact O-CB 3.34Å; F524-F528 PolarHBondContact O-N 3.09Å
525	E	88.5	Confident	85	Confident	37 Å²	37	45.9 Å²	45.9	17%	0.173	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-45.3	176.2	-59.8	-169	161.3	0	0	111.4	R485 W489 K521 A522 A527 F528 E529	R485-E525 IonicContact CZ-OE1 3.45Å; R485-E525 IonicContact NE-OE1 2.84Å; R485-E525 IonicContact NH2-OE1 2.82Å; R485-E525 PolarHBondContact NH2-OE1 3.01Å; W489-E525 HydrophobicContact CH2-CG 4.36Å; W489-E525 WeakPolarHBondContact CH2-OE1 3.31Å; W489-E525 HydrophobicContact CZ3-CG 3.88Å; K521-E525 WeakPolarHBondContact O-CG 3.39Å; K521-E525 PolarHBondContact O-N 3.42Å; A522-E525 PolarHBondContact O-N 3.32Å; E525-A527 VanDerWaalsContact C-N 3.33Å; E525-A527 PolarHBondContact O-N 3.36Å; E525-F528 PolarHBondContact O-N 3.34Å; E525-E529 WeakPolarHBondContact O-CG 3.44Å; E525-E529 PolarHBondContact O-N 2.99Å
526	A	86.9	Confident	85.1	Confident	42 Å²	42	38.7 Å²	38.7	35%	0.347	24%	0.235	S	C	.	.	H	α-helix	trans	-63.8	-37.7	176.7	0	0	0	0	0	112.3	A522 R530	A522-A526 WeakPolarHBondContact O-CB 3.25Å; A522-A526 PolarHBondContact O-N 3.13Å; A526-R530 VanDerWaalsContact O-CB 3.31Å; A526-R530 WeakPolarHBondContact O-CB 3.47Å; A526-R530 PolarHBondContact O-N 3.15Å
527	A	90.3	Very high	84.9	Confident	2 Å²	2	39.8 Å²	39.8	2%	0.017	23%	0.234	C	C	.	.	H	α-helix	trans	-65.1	-44.4	174.5	0	0	0	0	0	111.8	E504 A505 D523 F524 E525 R530 I531	E504-A527 HydrophobicContact CB-CB 3.8Å; A505-A527 HydrophobicContact CB-CB 3.91Å; D523-A527 VanDerWaalsContact O-CB 3.25Å; D523-A527 WeakPolarHBondContact O-CB 3.44Å; D523-A527 PolarHBondContact O-N 3.46Å; F524-A527 PolarHBondContact O-N 2.94Å; E525-A527 VanDerWaalsContact C-N 3.33Å; E525-A527 PolarHBondContact O-N 3.36Å; A527-R530 PolarHBondContact O-N 2.79Å; A527-I531 WeakPolarHBondContact O-CG1 3.29Å; A527-I531 PolarHBondContact O-N 3.07Å
528	F	86.8	Confident	84	Confident	17 Å²	17	45.9 Å²	45.9	8%	0.075	24%	0.244	C	C	.	.	H	α-helix	trans	-59.7	-47.5	175.6	-176.8	-99.3	0	0	0	111.6	W489 C490 M493 L501 F524 E525 R530 I531 L532 Q594	W489-F528 VanDerWaalsContact O-CZ 3.31Å; W489-F528 WeakPolarHBondContact O-CZ 3.5Å; C490-F528 HydrophobicContact CB-CE2 4.44Å; C490-F528 WeakPolarHBondContact SG-CE2 3.41Å; M493-F528 HydrophobicContact SD-CD2 4.39Å; M493-F528 HydrophobicContact SD-CE2 3.89Å; L501-F528 HydrophobicContact CD1-CB 4.24Å; L501-F528 HydrophobicContact CD1-CD2 3.67Å; L501-F528 HydrophobicContact CD1-CG 4.44Å; F524-F528 WeakPolarHBondContact O-CB 3.34Å; F524-F528 PolarHBondContact O-N 3.09Å; E525-F528 PolarHBondContact O-N 3.34Å; F528-R530 VanDerWaalsContact C-N 3.32Å; F528-R530 PolarHBondContact O-N 3.16Å; F528-I531 PolarHBondContact O-N 3.09Å; F528-L532 HydrophobicContact CE1-CD2 4.16Å; F528-L532 PolarHBondContact O-N 3.15Å; F528-Q594 VanDerWaalsContact CE1-CD 3.46Å; F528-Q594 HydrophobicContact CE1-CG 4.09Å
529	E	82.1	Confident	83	Confident	15 Å²	15	50.3 Å²	50.3	7%	0.07	27%	0.273	C	S	.	.	H	α-helix	trans	-58.3	-43.6	175.2	-75.3	178.2	-151.2	0	0	112.7	E525 I531 L532 A533 K573 R579 F592	E525-E529 WeakPolarHBondContact O-CG 3.44Å; E525-E529 PolarHBondContact O-N 2.99Å; E529-I531 VanDerWaalsContact C-N 3.27Å; E529-I531 PolarHBondContact O-N 2.7Å; E529-L532 PolarHBondContact O-N 3.34Å; E529-A533 PolarHBondContact O-N 3.44Å; E529-K573 WeakPolarHBondContact OE1-CD 3.45Å; E529-K573 WeakPolarHBondContact OE1-CE 3.21Å; E529-K573 IonicContact OE1-NZ 2.6Å; E529-K573 PolarHBondContact OE1-NZ 3.1Å; E529-R579 IonicContact OE2-CZ 2.66Å; E529-R579 IonicContact OE2-NH1 2.9Å; E529-R579 IonicContact OE2-NH2 2.94Å; E529-R579 PolarHBondContact OE2-NH2 3.36Å; E529-F592 HydrophobicContact CB-CZ 4.41Å; E529-F592 HydrophobicContact CG-CE2 4.39Å; E529-F592 HydrophobicContact CG-CZ 3.92Å
530	R	83.4	Confident	81.7	Confident	103 Å²	103	55.5 Å²	55.5	39%	0.389	30%	0.3	S	S	.	.	H	α-helix	trans	-63	-36.3	179.8	-176.9	-178.5	179.9	79.7	7.4	111.5	E504 A526 A527 F528 G534	E504-R530 IonicContact OE2-NE 3.11Å; A526-R530 VanDerWaalsContact O-CB 3.31Å; A526-R530 WeakPolarHBondContact O-CB 3.47Å; A526-R530 PolarHBondContact O-N 3.15Å; A527-R530 PolarHBondContact O-N 2.79Å; F528-R530 VanDerWaalsContact C-N 3.32Å; F528-R530 PolarHBondContact O-N 3.16Å; R530-G534 CarbonylContact O-C 3.39Å; R530-G534 WeakPolarHBondContact O-CA 3.34Å; R530-G534 PolarHBondContact O-N 3.05Å
531	I	84.1	Confident	80.8	Confident	45 Å²	45	59.5 Å²	59.5	23%	0.231	33%	0.326	C	S	.	.	H	α-helix	trans	-71.1	-41.8	176.4	-70.2	169.8	0	0	0	110.8	M493 R500 L501 A527 F528 E529	M493-I531 HydrophobicContact CE-CG2 4.43Å; R500-I531 HydrophobicContact CG-CD1 4.22Å; L501-I531 VanDerWaalsContact CA-CD1 3.45Å; L501-I531 HydrophobicContact CB-CD1 3.72Å; L501-I531 HydrophobicContact CG-CD1 4.19Å; A527-I531 WeakPolarHBondContact O-CG1 3.29Å; A527-I531 PolarHBondContact O-N 3.07Å; F528-I531 PolarHBondContact O-N 3.09Å; E529-I531 VanDerWaalsContact C-N 3.27Å; E529-I531 PolarHBondContact O-N 2.7Å
532	L	78.8	Confident	80.2	Confident	103 Å²	103	58 Å²	58	54%	0.539	32%	0.321	S	S	.	.	H	α-helix	trans	-75	-45	-176.3	-172.3	68.1	0	0	0	113.3	F528 E529 Q594	F528-L532 HydrophobicContact CE1-CD2 4.16Å; F528-L532 PolarHBondContact O-N 3.15Å; E529-L532 PolarHBondContact O-N 3.34Å; L532-Q594 HydrophobicContact CD2-CG 4.14Å
533	A	74.7	Confident	80.1	Confident	19 Å²	19	58.7 Å²	58.7	16%	0.157	32%	0.319	C	S	.	.	H	α-helix	trans	-116.3	-10.7	-170	0	0	0	0	0	114.1	E529 R579 F592	E529-A533 PolarHBondContact O-N 3.44Å; A533-R579 HydrophobicContact CB-CG 3.96Å; A533-R579 WeakPolarHBondContact O-CB 3.5Å; A533-F592 HydrophobicContact CB-CD1 4.05Å; A533-F592 HydrophobicContact CB-CE1 4.33Å; A533-F592 HydrophobicContact CB-CG 4.16Å
534	G	78.7	Confident	80	Confident	16 Å²	16	63.8 Å²	63.8	17%	0.165	35%	0.35	C	S	.	.			trans	91.3	-179.6	-175.4	0	0	0	0	0	114.1	R530	R530-G534 CarbonylContact O-C 3.39Å; R530-G534 WeakPolarHBondContact O-CA 3.34Å; R530-G534 PolarHBondContact O-N 3.05Å
535	A	76.1	Confident	79.9	Confident	20 Å²	20	67 Å²	67	17%	0.165	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	145.1	-178.7	0	0	0	0	0	111.9	K537 R579 T580	A535-K537 PolarHBondContact O-N 3.29Å; A535-R579 CarbonylContact O-C 3.44Å; A535-R579 VanDerWaalsContact O-CA 3.29Å; A535-R579 WeakPolarHBondContact O-CA 3.43Å; A535-T580 HydrophobicContact CB-CG2 4.35Å; A535-T580 VanDerWaalsContact CB-OG1 3.29Å; A535-T580 WeakPolarHBondContact CB-OG1 3.35Å; A535-T580 PolarHBondContact N-OG1 3.11Å; A535-T580 VanDerWaalsContact N-OG1 3.16Å; A535-T580 PolarHBondContact O-N 3.46Å; A535-T580 PolarHBondContact O-OG1 3.31Å
536	A	73.9	Confident	79.9	Confident	45 Å²	45	69.2 Å²	69.2	37%	0.372	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	127.6	174.3	0	0	0	0	0	111.6	R538 I577	A536-R538 PolarHBondContact O-N 3.37Å; A536-I577 HydrophobicContact CB-CG2 4.17Å
537	K	75.4	Confident	80	Confident	93 Å²	93	70.7 Å²	70.7	40%	0.404	38%	0.383	S	S	.	.			trans	-81.5	112.8	170.8	-78.8	178.5	172.4	157.5	0	108.6	A535 P578 T580	A535-K537 PolarHBondContact O-N 3.29Å; K537-P578 HydrophobicContact CB-CG 4.47Å; K537-P578 PolarHBondContact N-O 3.29Å; K537-T580 HydrophobicContact CD-CG2 4.17Å; K537-T580 HydrophobicContact CG-CG2 3.36Å
538	R	67.2	Low	80.2	Confident	240 Å²	240	73.5 Å²	73.5	91%	0.906	40%	0.396	S	S	*	.			trans	-92.7	-16.5	170.4	-66	-174.5	179	173.7	-0.5	113.6	A536	A536-R538 PolarHBondContact O-N 3.37Å
539	S	67.2	Low	80.4	Confident	111 Å²	111	75.5 Å²	75.5	78%	0.776	41%	0.406	S	S	*	.	S	Bend	trans	-85.2	-14.6	-168.7	53.9	0	0	0	0	115.7
540	N	66.3	Low	80.8	Confident	117 Å²	117	74.9 Å²	74.9	63%	0.626	40%	0.404	S	S	*	.	S	Bend	trans	-130.4	84.6	-178.6	-160.9	34.8	0	0	0	110.1
541	P	71.5	Confident	81.3	Confident	102 Å²	102	70 Å²	70	66%	0.662	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-66.8	134.6	-180	27.6	-32.8	0	0	0	110.1
542	L	79	Confident	81.8	Confident	23 Å²	23	67.8 Å²	67.8	12%	0.12	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-63.3	146.6	174	-58.6	-177.2	0	0	0	110.7	E546 R547 P578 L590	L542-E546 HydrophobicContact CB-CB 4.06Å; L542-R547 HydrophobicContact CB-CB 4.36Å; L542-R547 PolarHBondContact O-NH2 3.2Å; L542-P578 HydrophobicContact CG-CG 4.28Å; L542-L590 HydrophobicContact CD1-CB 3.97Å; L542-L590 HydrophobicContact CD1-CD2 3.98Å; L542-L590 HydrophobicContact CD1-CG 4.47Å; L542-L590 HydrophobicContact CD2-CD2 3.47Å; L542-L590 VanDerWaalsContact CD2-CD2 3.47Å; L542-L590 HydrophobicContact CG-CD2 4.37Å
543	T	87.5	Confident	82.5	Confident	76 Å²	76	62.9 Å²	62.9	47%	0.466	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-60.8	158.4	167.6	64.3	0	0	0	0	110.2	A545 E546 R547	T543-A545 PolarHBondContact O-N 3.02Å; T543-E546 WeakPolarHBondContact CB-OE2 3.38Å; T543-E546 WeakPolarHBondContact CG2-OE2 3.4Å; T543-E546 PolarHBondContact N-OE2 3.3Å; T543-E546 PolarHBondContact O-N 2.96Å; T543-E546 WeakPolarHBondContact OG1-CB 3.28Å; T543-E546 WeakPolarHBondContact OG1-CG 3.3Å; T543-E546 PolarHBondContact OG1-N 3.01Å; T543-E546 PolarHBondContact OG1-OE2 2.84Å; T543-R547 WeakPolarHBondContact O-CB 3.41Å; T543-R547 PolarHBondContact O-N 3.39Å
544	V	90	Very high	83.4	Confident	112 Å²	112	62.3 Å²	62.3	68%	0.679	34%	0.342	S	S	*	.	H	α-helix	trans	-58.2	-38.5	-180	-179.9	0	0	0	0	111.3	H548	V544-H548 WeakPolarHBondContact O-CB 3.35Å; V544-H548 PolarHBondContact O-N 2.72Å
545	A	89.7	Confident	84.1	Confident	69 Å²	69	61.5 Å²	61.5	57%	0.57	34%	0.335	S	S	*	.	H	α-helix	trans	-66.7	-45.8	177.1	0	0	0	0	0	112.3	T543 R547 H548 M549	T543-A545 PolarHBondContact O-N 3.02Å; A545-R547 VanDerWaalsContact C-N 3.35Å; A545-R547 PolarHBondContact O-N 2.75Å; A545-H548 PolarHBondContact O-N 3Å; A545-M549 WeakPolarHBondContact O-CB 3.26Å; A545-M549 PolarHBondContact O-N 3.45Å
546	E	88.1	Confident	85.1	Confident	83 Å²	83	60.6 Å²	60.6	39%	0.388	33%	0.327	S	S	.	.	H	α-helix	trans	-63.8	-39.7	176.1	-72.9	162.3	163.4	0	0	111.9	L542 T543 M549 S550 L590	L542-E546 HydrophobicContact CB-CB 4.06Å; T543-E546 WeakPolarHBondContact CB-OE2 3.38Å; T543-E546 WeakPolarHBondContact CG2-OE2 3.4Å; T543-E546 PolarHBondContact N-OE2 3.3Å; T543-E546 PolarHBondContact O-N 2.96Å; T543-E546 WeakPolarHBondContact OG1-CB 3.28Å; T543-E546 WeakPolarHBondContact OG1-CG 3.3Å; T543-E546 PolarHBondContact OG1-N 3.01Å; T543-E546 PolarHBondContact OG1-OE2 2.84Å; E546-M549 PolarHBondContact O-N 3.43Å; E546-S550 WeakPolarHBondContact O-CB 3.46Å; E546-S550 PolarHBondContact O-N 3.47Å; E546-L590 HydrophobicContact CB-CD1 4.39Å
547	R	89.5	Confident	86	Confident	73 Å²	73	59.4 Å²	59.4	28%	0.275	31%	0.313	S	S	.	.	H	α-helix	trans	-62.5	-46.4	175.9	-173.3	-176.4	-59.5	128	9.3	111.2	L542 T543 A545 S550 A551 I576	L542-R547 HydrophobicContact CB-CB 4.36Å; L542-R547 PolarHBondContact O-NH2 3.2Å; T543-R547 WeakPolarHBondContact O-CB 3.41Å; T543-R547 PolarHBondContact O-N 3.39Å; A545-R547 VanDerWaalsContact C-N 3.35Å; A545-R547 PolarHBondContact O-N 2.75Å; R547-S550 PolarHBondContact O-N 3.3Å; R547-A551 PolarHBondContact O-N 3.4Å; R547-I576 HydrophobicContact CG-CD1 3.62Å
548	H	93.3	Very high	86.9	Confident	62 Å²	62	55 Å²	55	29%	0.287	29%	0.294	S	S	.	.	H	α-helix	trans	-67	-40.2	177.8	-171.3	-95.7	0	0	0	111.5	V544 A545 S550 A551 V552 Y626	V544-H548 WeakPolarHBondContact O-CB 3.35Å; V544-H548 PolarHBondContact O-N 2.72Å; A545-H548 PolarHBondContact O-N 3Å; H548-S550 PolarHBondContact O-N 3.5Å; H548-A551 WeakPolarHBondContact O-CB 3.44Å; H548-A551 PolarHBondContact O-N 3.44Å; H548-V552 VanDerWaalsContact O-CG2 3.31Å; H548-V552 WeakPolarHBondContact O-CG2 3.28Å; H548-V552 PolarHBondContact O-N 3.35Å; H548-Y626 AromaticContact ND1-CZ 3.62Å; H548-Y626 PolarHBondContact ND1-OH 3.07Å
549	M	91.1	Very high	88.2	Confident	58 Å²	58	43.7 Å²	43.7	29%	0.286	25%	0.251	S	S	.	.	H	α-helix	trans	-60.3	-44.2	173.2	-177.4	178.4	-72.9	0	0	112.2	A545 E546 A551 V552 H553 Y626 S630 V632	A545-M549 WeakPolarHBondContact O-CB 3.26Å; A545-M549 PolarHBondContact O-N 3.45Å; E546-M549 PolarHBondContact O-N 3.43Å; M549-A551 VanDerWaalsContact C-N 3.34Å; M549-A551 PolarHBondContact O-N 3.17Å; M549-V552 PolarHBondContact O-N 3.33Å; M549-H553 WeakPolarHBondContact O-CB 3.43Å; M549-H553 PolarHBondContact O-N 3.36Å; M549-Y626 PolarHBondContact N-OH 3.43Å; M549-S630 VanDerWaalsContact SD-CB 3.6Å; M549-V632 HydrophobicContact SD-CG2 4.27Å
550	S	90.8	Very high	89.5	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.014	21%	0.214	C	C	.	.	H	α-helix	trans	-59.8	-43.8	174.1	-175.9	0	0	0	0	111.6	E546 R547 H548 H553 E554 L590	E546-S550 WeakPolarHBondContact O-CB 3.46Å; E546-S550 PolarHBondContact O-N 3.47Å; R547-S550 PolarHBondContact O-N 3.3Å; H548-S550 PolarHBondContact O-N 3.5Å; S550-H553 PolarHBondContact O-N 3.25Å; S550-E554 PolarHBondContact O-N 3.35Å; S550-L590 PolarHBondContact OG-O 3.39Å
551	A	94	Very high	90.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.4	-47.9	175.3	0	0	0	0	0	112.1	R547 H548 M549 H553 E554 S555 I576 I714 L717 V718	R547-A551 PolarHBondContact O-N 3.4Å; H548-A551 WeakPolarHBondContact O-CB 3.44Å; H548-A551 PolarHBondContact O-N 3.44Å; M549-A551 VanDerWaalsContact C-N 3.34Å; M549-A551 PolarHBondContact O-N 3.17Å; A551-H553 VanDerWaalsContact C-N 3.33Å; A551-H553 PolarHBondContact O-N 3.31Å; A551-E554 PolarHBondContact O-N 3.31Å; A551-S555 WeakPolarHBondContact O-CB 3.42Å; A551-S555 PolarHBondContact O-N 3.37Å; A551-S555 PolarHBondContact O-OG 3.5Å; A551-I576 HydrophobicContact CB-CD1 4.39Å; A551-I576 HydrophobicContact CB-CG2 4.02Å; A551-I714 HydrophobicContact CB-CG2 4.31Å; A551-L717 HydrophobicContact CB-CB 4.15Å; A551-V718 HydrophobicContact CB-CG2 3.7Å
552	V	95.1	Very high	91.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57	-47.2	175.6	172.9	0	0	0	0	111.1	H548 M549 G556 A621 E622 V625 Y626 I714	H548-V552 VanDerWaalsContact O-CG2 3.31Å; H548-V552 WeakPolarHBondContact O-CG2 3.28Å; H548-V552 PolarHBondContact O-N 3.35Å; M549-V552 PolarHBondContact O-N 3.33Å; V552-G556 PolarHBondContact O-N 3.28Å; V552-A621 HydrophobicContact CG1-CB 3.99Å; V552-A621 WeakPolarHBondContact O-CB 3.14Å; V552-E622 HydrophobicContact CG1-CG 4.25Å; V552-V625 HydrophobicContact CG1-CB 4.06Å; V552-V625 HydrophobicContact CG1-CG2 3.98Å; V552-V625 HydrophobicContact CG2-CB 4.5Å; V552-V625 HydrophobicContact CG2-CG1 4.12Å; V552-V625 HydrophobicContact CG2-CG2 4.5Å; V552-Y626 HydrophobicContact CB-CE2 4.16Å; V552-Y626 HydrophobicContact CG1-CE2 4.14Å; V552-Y626 HydrophobicContact CG2-CE2 3.91Å; V552-I714 HydrophobicContact CB-CD1 4.39Å; V552-I714 HydrophobicContact CG2-CD1 3.8Å; V552-I714 HydrophobicContact CG2-CG1 4.2Å; V552-I714 HydrophobicContact CG2-CG2 4.22Å
553	H	93.2	Very high	92.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.5	-51.1	-178.6	-169.3	94.1	0	0	0	111.9	M549 S550 A551 G556 R557 G618 E622 H636	M549-H553 WeakPolarHBondContact O-CB 3.43Å; M549-H553 PolarHBondContact O-N 3.36Å; S550-H553 PolarHBondContact O-N 3.25Å; A551-H553 VanDerWaalsContact C-N 3.33Å; A551-H553 PolarHBondContact O-N 3.31Å; H553-G556 PolarHBondContact O-N 3.21Å; H553-R557 PolarHBondContact O-N 3.39Å; H553-G618 WeakPolarHBondContact O-CA 3.49Å; H553-E622 IonicContact CE1-OE1 3.01Å; H553-E622 IonicContact CG-OE1 2.61Å; H553-E622 IonicContact ND1-OE1 3.46Å; H553-E622 PolarHBondContact ND1-OE1 3.46Å; H553-H636 AromaticContact CE1-ND1 3.87Å; H553-H636 AromaticContact NE2-CE1 3.41Å; H553-H636 PolarHBondContact NE2-CE1 3.29Å; H553-H636 AromaticContact NE2-ND1 3.11Å; H553-H636 PolarHBondContact NE2-ND1 3.38Å; H553-H636 VanDerWaalsContact NE2-ND1 3.11Å
554	E	93	Very high	92.5	Very high	6 Å²	6	27 Å²	27	3%	0.028	14%	0.144	C	C	.	.	H	α-helix	trans	-74.8	-35.6	-176.1	-63.5	-56.9	154.6	0	0	112.5	S550 A551 G556 R557 A558 I574 T593	S550-E554 PolarHBondContact O-N 3.35Å; A551-E554 PolarHBondContact O-N 3.31Å; E554-G556 VanDerWaalsContact C-N 3.3Å; E554-G556 PolarHBondContact O-N 3.49Å; E554-R557 PolarHBondContact O-N 3.44Å; E554-R557 IonicContact OE1-NH1 2.79Å; E554-R557 IonicContact OE2-CZ 3.55Å; E554-R557 IonicContact OE2-NH1 2.87Å; E554-R557 PolarHBondContact OE2-NH1 3.46Å; E554-A558 WeakPolarHBondContact O-CB 3.44Å; E554-A558 PolarHBondContact O-N 3.36Å; E554-I574 HydrophobicContact CB-CG2 3.64Å; E554-T593 PolarHBondContact O-OG1 3.26Å; E554-T593 VanDerWaalsContact OE2-CB 3.27Å; E554-T593 WeakPolarHBondContact OE2-CB 3.46Å; E554-T593 PolarHBondContact OE2-N 3.03Å; E554-T593 PolarHBondContact OE2-OG1 3.03Å
555	S	95.1	Very high	91.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-57.8	-42.6	170.2	-69.5	0	0	0	0	111.8	A551 A558 L559 I714 L717	A551-S555 WeakPolarHBondContact O-CB 3.42Å; A551-S555 PolarHBondContact O-N 3.37Å; A551-S555 PolarHBondContact O-OG 3.5Å; S555-A558 PolarHBondContact O-N 3.43Å; S555-L559 VanDerWaalsContact O-CB 3.28Å; S555-L559 WeakPolarHBondContact O-CB 3.06Å; S555-L559 PolarHBondContact O-N 3.46Å; S555-I714 PolarHBondContact OG-N 3.27Å; S555-L717 WeakPolarHBondContact OG-CD1 3.42Å
556	G	95.2	Very high	91.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.1	-48	178.2	0	0	0	0	0	113	V552 H553 E554 V560 A621	V552-G556 PolarHBondContact O-N 3.28Å; H553-G556 PolarHBondContact O-N 3.21Å; E554-G556 VanDerWaalsContact C-N 3.3Å; E554-G556 PolarHBondContact O-N 3.49Å; G556-V560 VanDerWaalsContact O-CG2 3.3Å; G556-V560 WeakPolarHBondContact O-CG2 3.36Å; G556-V560 PolarHBondContact O-N 3.5Å; G556-A621 VanDerWaalsContact CA-CB 3.48Å
557	R	94	Very high	90.5	Very high	21 Å²	21	18.7 Å²	18.7	8%	0.079	9%	0.091	C	C	.	.	H	α-helix	trans	-62.6	-46.7	177.6	-65.8	178	62.6	-149.1	4.8	111.7	H553 E554 A561 G618 H636	H553-R557 PolarHBondContact O-N 3.39Å; E554-R557 PolarHBondContact O-N 3.44Å; E554-R557 IonicContact OE1-NH1 2.79Å; E554-R557 IonicContact OE2-CZ 3.55Å; E554-R557 IonicContact OE2-NH1 2.87Å; E554-R557 PolarHBondContact OE2-NH1 3.46Å; R557-A561 WeakPolarHBondContact O-CB 3.42Å; R557-A561 PolarHBondContact O-N 3.44Å; R557-G618 VanDerWaalsContact CG-N 3.29Å; R557-H636 VanDerWaalsContact CZ-CE1 3.47Å; R557-H636 PolarHBondContact NE-NE2 2.93Å; R557-H636 PolarHBondContact NH1-CE1 3.15Å; R557-H636 PolarHBondContact NH1-NE2 3.06Å; R557-H636 VanDerWaalsContact NH1-NE2 3.17Å; R557-H636 PolarHBondContact NH2-NE2 3.04Å
558	A	94.1	Very high	90	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.008	8%	0.08	C	C	.	.	H	α-helix	trans	-65.8	-42.2	-179.2	0	0	0	0	0	112.5	E554 S555 A561 W562 P571 I574 T593	E554-A558 WeakPolarHBondContact O-CB 3.44Å; E554-A558 PolarHBondContact O-N 3.36Å; S555-A558 PolarHBondContact O-N 3.43Å; A558-A561 PolarHBondContact O-N 3.31Å; A558-W562 WeakPolarHBondContact O-CB 3.42Å; A558-W562 PolarHBondContact O-N 3.49Å; A558-P571 HydrophobicContact CB-CB 4.01Å; A558-P571 HydrophobicContact CB-CG 4.48Å; A558-I574 HydrophobicContact CB-CD1 3.17Å; A558-I574 HydrophobicContact CB-CG1 3.76Å; A558-T593 HydrophobicContact CB-CG2 4.05Å
559	L	94.6	Very high	89.6	Confident	1 Å²	1	12.7 Å²	12.7	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-65.4	-44.3	178.5	-176.3	58.1	0	0	0	111.4	S555 A561 W562 L563 L703 N706 N709 L710 L713 L732	S555-L559 VanDerWaalsContact O-CB 3.28Å; S555-L559 WeakPolarHBondContact O-CB 3.06Å; S555-L559 PolarHBondContact O-N 3.46Å; L559-A561 VanDerWaalsContact C-N 3.33Å; L559-A561 PolarHBondContact O-N 3.33Å; L559-W562 WeakPolarHBondContact O-CB 3.17Å; L559-W562 PolarHBondContact O-N 3.42Å; L559-W562 VanDerWaalsContact O-N 3.15Å; L559-L563 HydrophobicContact CD1-CD1 4.21Å; L559-L563 HydrophobicContact CD1-CG 4.19Å; L559-L563 HydrophobicContact CG-CD1 4.01Å; L559-L563 HydrophobicContact CG-CG 4.43Å; L559-L563 VanDerWaalsContact O-CG 3.28Å; L559-L563 WeakPolarHBondContact O-CG 3.31Å; L559-L563 PolarHBondContact O-N 3.48Å; L559-L703 HydrophobicContact CB-CD2 4.12Å; L559-L703 HydrophobicContact CD2-CD2 3.72Å; L559-L703 HydrophobicContact CG-CD2 4.08Å; L559-N706 HydrophobicContact CD2-CB 4.25Å; L559-N709 HydrophobicContact CD1-CB 4.25Å; L559-N709 HydrophobicContact CD2-CB 4.36Å; L559-L710 HydrophobicContact CD2-CB 3.7Å; L559-L710 HydrophobicContact CD2-CD1 4.24Å; L559-L713 HydrophobicContact CB-CD1 3.93Å; L559-L713 HydrophobicContact CD1-CD1 4.19Å; L559-L713 HydrophobicContact CG-CD1 4.45Å; L559-L732 HydrophobicContact CD1-CD1 4.28Å; L559-L732 HydrophobicContact CD1-CD2 3.91Å
560	V	95	Very high	89.3	Confident	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.1	-43.2	175.2	173.4	0	0	0	0	111	G556 W562 L563 L564 V614 M702 L703	G556-V560 VanDerWaalsContact O-CG2 3.3Å; G556-V560 WeakPolarHBondContact O-CG2 3.36Å; G556-V560 PolarHBondContact O-N 3.5Å; V560-W562 VanDerWaalsContact C-N 3.3Å; V560-W562 PolarHBondContact O-N 3.18Å; V560-L563 PolarHBondContact O-N 3.44Å; V560-L564 HydrophobicContact CG1-CD1 3.71Å; V560-L564 HydrophobicContact CG1-CG 4.36Å; V560-L564 WeakPolarHBondContact O-CB 3.38Å; V560-L564 VanDerWaalsContact O-CG 3.28Å; V560-L564 WeakPolarHBondContact O-CG 3.46Å; V560-L564 PolarHBondContact O-N 3.21Å; V560-V614 HydrophobicContact CG1-CG2 4.1Å; V560-M702 HydrophobicContact CG1-CE 4.03Å; V560-L703 HydrophobicContact CG2-CD1 4.17Å; V560-L703 HydrophobicContact CG2-CD2 3.9Å; V560-L703 HydrophobicContact CG2-CG 3.9Å
561	A	93.2	Very high	89.2	Confident	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63.2	-36.2	175.3	0	0	0	0	0	112.6	R557 A558 L559 I569 P571 L595 V614	R557-A561 WeakPolarHBondContact O-CB 3.42Å; R557-A561 PolarHBondContact O-N 3.44Å; A558-A561 PolarHBondContact O-N 3.31Å; L559-A561 VanDerWaalsContact C-N 3.33Å; L559-A561 PolarHBondContact O-N 3.33Å; A561-I569 HydrophobicContact CB-CG2 4.31Å; A561-P571 HydrophobicContact CB-CG 4.32Å; A561-L595 HydrophobicContact CB-CD2 3.7Å; A561-V614 HydrophobicContact CB-CG1 3.95Å; A561-V614 HydrophobicContact CB-CG2 3.98Å
562	W	92.1	Very high	88.8	Confident	11 Å²	11	11.3 Å²	11.3	4%	0.042	6%	0.061	C	C	.	.	H	α-helix	trans	-66.1	-45.9	176.9	-169.2	-95.6	0	0	0	112.2	A558 L559 V560 L564 L570 P571 Y725 L728 K729 L732 G733 N735	A558-W562 WeakPolarHBondContact O-CB 3.42Å; A558-W562 PolarHBondContact O-N 3.49Å; L559-W562 WeakPolarHBondContact O-CB 3.17Å; L559-W562 PolarHBondContact O-N 3.42Å; L559-W562 VanDerWaalsContact O-N 3.15Å; V560-W562 VanDerWaalsContact C-N 3.3Å; V560-W562 PolarHBondContact O-N 3.18Å; W562-L564 VanDerWaalsContact C-N 3.33Å; W562-L564 PolarHBondContact O-N 3.16Å; W562-L570 HydrophobicContact CE3-CD1 4.21Å; W562-L570 HydrophobicContact CZ3-CD1 4.01Å; W562-P571 HydrophobicContact CB-CG 4.43Å; W562-P571 HydrophobicContact CE3-CG 3.88Å; W562-Y725 AromaticContact CH2-CE2 3.93Å; W562-Y725 HydrophobicContact CH2-CE2 3.93Å; W562-Y725 HydrophobicContact CZ3-CD2 4.09Å; W562-Y725 AromaticContact CZ3-CE2 3.62Å; W562-Y725 HydrophobicContact CZ3-CE2 3.62Å; W562-L728 HydrophobicContact CZ3-CB 4.27Å; W562-K729 HydrophobicContact CH2-CB 4.36Å; W562-L732 HydrophobicContact CB-CD1 4.11Å; W562-L732 HydrophobicContact CD2-CD1 3.81Å; W562-L732 HydrophobicContact CE3-CD1 4.44Å; W562-L732 HydrophobicContact CG-CD1 3.64Å; W562-L732 HydrophobicContact CZ2-CB 4.34Å; W562-G733 VanDerWaalsContact CZ2-O 3.27Å; W562-G733 WeakPolarHBondContact CZ2-O 3.28Å; W562-N735 HydrophobicContact CD2-CB 4.33Å; W562-N735 HydrophobicContact CH2-CB 4.15Å; W562-N735 HydrophobicContact CZ2-CB 3.59Å; W562-N735 PolarHBondContact O-ND2 3.24Å; W562-N735 PolarHBondContact O-OD1 2.73Å
563	L	91.7	Very high	88.4	Confident	57 Å²	57	12.8 Å²	12.8	30%	0.298	7%	0.067	S	C	.	.	H	α-helix	trans	-68.9	-31.1	-179	-67	170.7	0	0	0	112.4	L559 V560 S565 M702 N706	L559-L563 HydrophobicContact CD1-CD1 4.21Å; L559-L563 HydrophobicContact CD1-CG 4.19Å; L559-L563 HydrophobicContact CG-CD1 4.01Å; L559-L563 HydrophobicContact CG-CG 4.43Å; L559-L563 VanDerWaalsContact O-CG 3.28Å; L559-L563 WeakPolarHBondContact O-CG 3.31Å; L559-L563 PolarHBondContact O-N 3.48Å; V560-L563 PolarHBondContact O-N 3.44Å; L563-S565 PolarHBondContact O-N 2.88Å; L563-M702 HydrophobicContact CD1-CB 4.29Å; L563-N706 HydrophobicContact CD1-CB 4.17Å; L563-N706 WeakPolarHBondContact CD1-ND2 3.42Å
564	L	89.5	Confident	88.4	Confident	12 Å²	12	12.8 Å²	12.8	6%	0.063	7%	0.067	C	C	.	.			trans	-82.5	61.5	177.2	-66.2	175.2	0	0	0	112	V560 W562 N566 S567 D610 V614 M702	V560-L564 HydrophobicContact CG1-CD1 3.71Å; V560-L564 HydrophobicContact CG1-CG 4.36Å; V560-L564 WeakPolarHBondContact O-CB 3.38Å; V560-L564 VanDerWaalsContact O-CG 3.28Å; V560-L564 WeakPolarHBondContact O-CG 3.46Å; V560-L564 PolarHBondContact O-N 3.21Å; W562-L564 VanDerWaalsContact C-N 3.33Å; W562-L564 PolarHBondContact O-N 3.16Å; L564-N566 PolarHBondContact O-N 3.41Å; L564-N566 VanDerWaalsContact O-N 3.09Å; L564-S567 WeakPolarHBondContact O-CB 3.2Å; L564-S567 PolarHBondContact O-N 3.33Å; L564-S567 PolarHBondContact O-OG 3.23Å; L564-D610 HydrophobicContact CD1-CB 4.07Å; L564-V614 HydrophobicContact CD1-CG2 3.92Å; L564-M702 HydrophobicContact CD1-CE 4.28Å; L564-M702 HydrophobicContact CD2-CE 4.15Å; L564-M702 HydrophobicContact CD2-SD 3.81Å; L564-M702 HydrophobicContact CG-CE 4.36Å; L564-M702 HydrophobicContact CG-SD 4.26Å
565	S	73.5	Confident	88.2	Confident	26 Å²	26	12.5 Å²	12.5	18%	0.182	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-58	-26.7	-175.6	63.1	0	0	0	0	114.6	L563 N735	L563-S565 PolarHBondContact O-N 2.88Å; S565-N735 WeakPolarHBondContact CB-OD1 3.36Å
566	N	76.1	Confident	87.8	Confident	58 Å²	58	12.7 Å²	12.7	31%	0.31	7%	0.067	S	C	.	.	G	3₁₀ helix	trans	-84.2	-14.4	-179.3	-66.7	-45.7	0	0	0	114.4	L564 G568 R744	L564-N566 PolarHBondContact O-N 3.41Å; L564-N566 VanDerWaalsContact O-N 3.09Å; N566-G568 PolarHBondContact O-N 3.16Å; N566-R744 PolarHBondContact ND2-NH2 2.85Å
567	S	75.9	Confident	87.4	Confident	4 Å²	4	14.7 Å²	14.7	3%	0.028	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-68	-20.3	-175.8	67	0	0	0	0	113	L564 I569	L564-S567 WeakPolarHBondContact O-CB 3.2Å; L564-S567 PolarHBondContact O-N 3.33Å; L564-S567 PolarHBondContact O-OG 3.23Å; S567-I569 WeakPolarHBondContact OG-CB 3.48Å; S567-I569 PolarHBondContact OG-N 2.85Å; S567-I569 VanDerWaalsContact OG-N 3.15Å
568	G	78.9	Confident	86.8	Confident	4 Å²	4	14.9 Å²	14.9	4%	0.041	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	11.2	-170.1	0	0	0	0	0	113.1	N566 S597 E598	N566-G568 PolarHBondContact O-N 3.16Å; G568-S597 CarbonylContact O-C 3.49Å; G568-S597 WeakPolarHBondContact O-CA 3.46Å; G568-E598 PolarHBondContact O-N 2.98Å
569	I	84.6	Confident	85.9	Confident	6 Å²	6	16 Å²	16	3%	0.031	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	132.1	179.5	-51.9	170.9	0	0	0	108.9	A561 S567 L595 I596 R611 V614 R737	A561-I569 HydrophobicContact CB-CG2 4.31Å; S567-I569 WeakPolarHBondContact OG-CB 3.48Å; S567-I569 PolarHBondContact OG-N 2.85Å; S567-I569 VanDerWaalsContact OG-N 3.15Å; I569-L595 HydrophobicContact CG2-CB 3.99Å; I569-L595 HydrophobicContact CG2-CD1 4.42Å; I569-L595 HydrophobicContact CG2-CD2 4.05Å; I569-L595 HydrophobicContact CG2-CG 4.38Å; I569-I596 CarbonylContact C-O 3.56Å; I569-I596 WeakPolarHBondContact CA-O 3.28Å; I569-R611 HydrophobicContact CD1-CB 4.47Å; I569-R611 HydrophobicContact CD1-CG 3.65Å; I569-V614 HydrophobicContact CD1-CG2 4.17Å; I569-R737 PolarHBondContact O-NH2 2.83Å; I569-R737 VanDerWaalsContact O-NH2 3.1Å
570	L	86.1	Confident	84.6	Confident	24 Å²	24	18.3 Å²	18.3	13%	0.126	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.3	177	-171.8	58.3	0	0	0	111.5	W562 V572 L595 I596 Y725	W562-L570 HydrophobicContact CE3-CD1 4.21Å; W562-L570 HydrophobicContact CZ3-CD1 4.01Å; L570-V572 HydrophobicContact CD2-CG2 4.14Å; L570-V572 HydrophobicContact CG-CG2 4.32Å; L570-V572 PolarHBondContact O-N 2.92Å; L570-L595 CarbonylContact O-C 3.36Å; L570-L595 WeakPolarHBondContact O-CA 3.3Å; L570-I596 PolarHBondContact N-O 3.28Å; L570-I596 PolarHBondContact O-N 3.3Å; L570-Y725 HydrophobicContact CD1-CD2 4.14Å; L570-Y725 HydrophobicContact CD1-CE2 3.56Å; L570-Y725 HydrophobicContact CD2-CD2 3.98Å; L570-Y725 HydrophobicContact CD2-CE2 3.64Å; L570-Y725 HydrophobicContact CG-CD2 4.25Å; L570-Y725 HydrophobicContact CG-CE2 4Å
571	P	88.8	Confident	83	Confident	1 Å²	1	20.8 Å²	20.8	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	121.2	163.1	32.3	-33.8	0	0	0	109.8	A558 A561 W562 T593 L595 L728	A558-P571 HydrophobicContact CB-CB 4.01Å; A558-P571 HydrophobicContact CB-CG 4.48Å; A561-P571 HydrophobicContact CB-CG 4.32Å; W562-P571 HydrophobicContact CB-CG 4.43Å; W562-P571 HydrophobicContact CE3-CG 3.88Å; P571-T593 HydrophobicContact CB-CG2 4.23Å; P571-L595 HydrophobicContact CB-CD2 4.05Å; P571-L728 HydrophobicContact CB-CD1 4.1Å; P571-L728 HydrophobicContact CG-CD1 4.18Å
572	V	85.2	Confident	80.9	Confident	6 Å²	6	26.9 Å²	26.9	4%	0.036	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-36.1	177.1	169.3	0	0	0	0	112.2	W489 L570 Q594 I596 S724 Y725	W489-V572 HydrophobicContact CD2-CG1 4.39Å; W489-V572 HydrophobicContact CH2-CG1 3.84Å; W489-V572 HydrophobicContact CZ2-CG1 3.54Å; W489-V572 HydrophobicContact CZ3-CG1 4.41Å; L570-V572 HydrophobicContact CD2-CG2 4.14Å; L570-V572 HydrophobicContact CG-CG2 4.32Å; L570-V572 PolarHBondContact O-N 2.92Å; V572-Q594 PolarHBondContact N-O 3.24Å; V572-I596 HydrophobicContact CB-CD1 4.19Å; V572-I596 HydrophobicContact CG2-CB 4.46Å; V572-I596 HydrophobicContact CG2-CD1 3.24Å; V572-I596 HydrophobicContact CG2-CG1 3.76Å; V572-S724 CarbonylContact O-C 3.57Å; V572-Y725 WeakPolarHBondContact O-CA 3.21Å; V572-Y725 PolarHBondContact O-N 3.37Å
573	K	87.4	Confident	79.1	Confident	30 Å²	30	28 Å²	28	13%	0.13	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	141	-178.4	-162.9	165	-171.7	166.9	0	110.4	E529 Q594 V722 L723	E529-K573 WeakPolarHBondContact OE1-CD 3.45Å; E529-K573 WeakPolarHBondContact OE1-CE 3.21Å; E529-K573 IonicContact OE1-NZ 2.6Å; E529-K573 PolarHBondContact OE1-NZ 3.1Å; K573-Q594 HydrophobicContact CB-CB 4.15Å; K573-Q594 PolarHBondContact O-N 2.94Å; K573-V722 HydrophobicContact CD-CG1 4.25Å; K573-V722 HydrophobicContact CG-CG1 4.09Å; K573-L723 WeakPolarHBondContact CA-O 3.25Å
574	I	91.6	Very high	76.8	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.4	175.4	-47.6	170.9	0	0	0	107.5	E554 A558 T593 L717 V722 L723 L728	E554-I574 HydrophobicContact CB-CG2 3.64Å; A558-I574 HydrophobicContact CB-CD1 3.17Å; A558-I574 HydrophobicContact CB-CG1 3.76Å; I574-T593 HydrophobicContact CG1-CG2 4.27Å; I574-L717 HydrophobicContact CB-CD1 4.4Å; I574-L717 HydrophobicContact CB-CD2 3.88Å; I574-L717 HydrophobicContact CD1-CD1 4.5Å; I574-L717 HydrophobicContact CG2-CD1 3.57Å; I574-L717 HydrophobicContact CG2-CD2 3.71Å; I574-L717 HydrophobicContact CG2-CG 4.29Å; I574-V722 CarbonylContact O-C 3.53Å; I574-V722 VanDerWaalsContact O-CA 3.26Å; I574-V722 WeakPolarHBondContact O-CA 3.18Å; I574-L723 PolarHBondContact N-O 3.13Å; I574-L723 PolarHBondContact O-N 3.34Å; I574-L728 HydrophobicContact CD1-CD1 4.07Å; I574-L728 HydrophobicContact CD1-CD2 3.57Å; I574-L728 HydrophobicContact CD1-CG 4.4Å; I574-L728 HydrophobicContact CG1-CD1 4.28Å; I574-L728 HydrophobicContact CG1-CD2 4.49Å
575	S	89.2	Confident	74.8	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	138.8	176.4	-178.9	0	0	0	0	111.3	I577 G591 F592 E721	S575-I577 WeakPolarHBondContact OG-CB 3.29Å; S575-I577 PolarHBondContact OG-N 2.92Å; S575-G591 CarbonylContact O-C 3.56Å; S575-G591 WeakPolarHBondContact O-CA 3.43Å; S575-F592 VanDerWaalsContact CB-CE1 3.48Å; S575-F592 PolarHBondContact N-O 2.75Å; S575-F592 PolarHBondContact O-N 3.47Å; S575-E721 WeakPolarHBondContact CA-O 3.17Å
576	I	88.1	Confident	73.7	Confident	5 Å²	5	36.4 Å²	36.4	3%	0.026	22%	0.223	C	C	.	.			trans	-103.7	18.5	172.7	61.8	173.9	0	0	0	112.2	R547 A551 L590 L717 E721	R547-I576 HydrophobicContact CG-CD1 3.62Å; A551-I576 HydrophobicContact CB-CD1 4.39Å; A551-I576 HydrophobicContact CB-CG2 4.02Å; I576-L590 CarbonylContact C-O 3.57Å; I576-L590 VanDerWaalsContact O-O 3.09Å; I576-L717 WeakPolarHBondContact CD1-O 3.41Å; I576-E721 HydrophobicContact CG1-CB 4.14Å; I576-E721 WeakPolarHBondContact CG1-O 3.35Å; I576-E721 PolarHBondContact N-O 3.25Å
577	I	85.2	Confident	72.3	Confident	42 Å²	42	40.6 Å²	40.6	22%	0.215	25%	0.25	C	S	.	.			trans	-86.9	121.8	-179.9	-59.8	173.5	0	0	0	108.6	A536 S575 E721 V722	A536-I577 HydrophobicContact CB-CG2 4.17Å; S575-I577 WeakPolarHBondContact OG-CB 3.29Å; S575-I577 PolarHBondContact OG-N 2.92Å; I577-E721 HydrophobicContact CD1-CB 4.39Å; I577-E721 HydrophobicContact CG1-CB 4.14Å; I577-V722 HydrophobicContact CD1-CG2 3.64Å; I577-V722 HydrophobicContact CG1-CG2 4.38Å
578	P	81.5	Confident	71.2	Confident	24 Å²	24	42 Å²	42	16%	0.156	27%	0.266	C	S	.	.			trans	-64.2	140.9	-178.6	26.6	-34.4	0	0	0	111.4	K537 L542	K537-P578 HydrophobicContact CB-CG 4.47Å; K537-P578 PolarHBondContact N-O 3.29Å; L542-P578 HydrophobicContact CG-CG 4.28Å
579	R	76.5	Confident	70.6	Confident	26 Å²	26	43.7 Å²	43.7	10%	0.098	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	155.9	-178.9	-55.8	-59.3	-179.5	136	-5.5	112.5	E529 A533 A535 V581 F592	E529-R579 IonicContact OE2-CZ 2.66Å; E529-R579 IonicContact OE2-NH1 2.9Å; E529-R579 IonicContact OE2-NH2 2.94Å; E529-R579 PolarHBondContact OE2-NH2 3.36Å; A533-R579 HydrophobicContact CB-CG 3.96Å; A533-R579 WeakPolarHBondContact O-CB 3.5Å; A535-R579 CarbonylContact O-C 3.44Å; A535-R579 VanDerWaalsContact O-CA 3.29Å; A535-R579 WeakPolarHBondContact O-CA 3.43Å; R579-V581 PolarHBondContact O-N 3.44Å; R579-F592 HydrophobicContact CG-CD1 4.42Å
580	T	66.6	Low	70.1	Confident	49 Å²	49	44.9 Å²	44.9	30%	0.301	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	96.8	169.6	62	0	0	0	0	107.4	A535 K537	A535-T580 HydrophobicContact CB-CG2 4.35Å; A535-T580 VanDerWaalsContact CB-OG1 3.29Å; A535-T580 WeakPolarHBondContact CB-OG1 3.35Å; A535-T580 PolarHBondContact N-OG1 3.11Å; A535-T580 VanDerWaalsContact N-OG1 3.16Å; A535-T580 PolarHBondContact O-N 3.46Å; A535-T580 PolarHBondContact O-OG1 3.31Å; K537-T580 HydrophobicContact CD-CG2 4.17Å; K537-T580 HydrophobicContact CG-CG2 3.36Å
581	V	61.7	Low	69.8	Low	52 Å²	52	44.1 Å²	44.1	32%	0.315	28%	0.277	S	S	.	.			trans	-82.7	128.6	170.2	-159.1	0	0	0	0	109.1	R579 G583 T586 D589	R579-V581 PolarHBondContact O-N 3.44Å; V581-G583 VanDerWaalsContact C-N 3.28Å; V581-G583 PolarHBondContact O-N 3.17Å; V581-T586 HydrophobicContact CB-CG2 4.23Å; V581-T586 VanDerWaalsContact CG1-CB 3.45Å; V581-T586 HydrophobicContact CG1-CG2 3.87Å; V581-T586 WeakPolarHBondContact CG1-OG1 3.5Å; V581-T586 HydrophobicContact CG2-CG2 4.02Å; V581-D589 HydrophobicContact CG2-CB 4.07Å
582	S	48.2	Very low	69.6	Low	128 Å²	128	44.9 Å²	44.9	90%	0.895	28%	0.281	S	S	*	.			trans	-90	23.7	-177.1	-60.1	0	0	0	0	113.2
583	G	54.2	Low	69.6	Low	33 Å²	33	45.1 Å²	45.1	34%	0.34	28%	0.282	S	S	.	.	S	Bend	trans	-129.7	148.9	-176.7	0	0	0	0	0	113.4	V581 D585 T586	V581-G583 VanDerWaalsContact C-N 3.28Å; V581-G583 PolarHBondContact O-N 3.17Å; G583-D585 PolarHBondContact O-N 3.49Å; G583-D585 VanDerWaalsContact O-N 3.16Å; G583-T586 PolarHBondContact O-OG1 3.25Å
584	P	44	Very low	69.5	Low	126 Å²	126	44 Å²	44	82%	0.818	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.7	178.7	25	-32.8	0	0	0	113.8
585	D	47.8	Very low	69.2	Low	115 Å²	115	46.3 Å²	46.3	62%	0.615	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	14.2	-170.7	-65.4	-3.6	0	0	0	114.3	G583 R638	G583-D585 PolarHBondContact O-N 3.49Å; G583-D585 VanDerWaalsContact O-N 3.16Å; D585-R638 IonicContact OD2-NH1 2.76Å
586	T	50.3	Low	68.9	Low	32 Å²	32	47.5 Å²	47.5	20%	0.196	30%	0.296	C	S	.	.			trans	-136	44.6	-167.3	-0.1	0	0	0	0	113.4	V581 G583 G588 D589	V581-T586 HydrophobicContact CB-CG2 4.23Å; V581-T586 VanDerWaalsContact CG1-CB 3.45Å; V581-T586 HydrophobicContact CG1-CG2 3.87Å; V581-T586 WeakPolarHBondContact CG1-OG1 3.5Å; V581-T586 HydrophobicContact CG2-CG2 4.02Å; G583-T586 PolarHBondContact O-OG1 3.25Å; T586-G588 VanDerWaalsContact C-N 3.26Å; T586-G588 PolarHBondContact O-N 2.83Å; T586-G588 VanDerWaalsContact O-N 3.07Å; T586-D589 HydrophobicContact CG2-CB 4.38Å; T586-D589 VanDerWaalsContact CG2-OD2 3.29Å; T586-D589 WeakPolarHBondContact CG2-OD2 3.49Å
587	V	46.1	Very low	68.5	Low	146 Å²	146	49.2 Å²	49.2	89%	0.885	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	81.2	163.2	-173.8	0	0	0	0	107
588	G	54	Low	68.1	Low	34 Å²	34	51.5 Å²	51.5	35%	0.351	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	158.5	-4.6	177.2	0	0	0	0	0	118.9	T586 L590	T586-G588 VanDerWaalsContact C-N 3.26Å; T586-G588 PolarHBondContact O-N 2.83Å; T586-G588 VanDerWaalsContact O-N 3.07Å; G588-L590 VanDerWaalsContact C-N 3.3Å; G588-L590 PolarHBondContact O-N 3.04Å
589	D	65.2	Low	67.7	Low	39 Å²	39	54.3 Å²	54.3	21%	0.209	33%	0.329	C	S	.	.			trans	-73.5	84.9	178.8	-79.4	2.7	0	0	0	110.2	V581 T586 K635	V581-D589 HydrophobicContact CG2-CB 4.07Å; T586-D589 HydrophobicContact CG2-CB 4.38Å; T586-D589 VanDerWaalsContact CG2-OD2 3.29Å; T586-D589 WeakPolarHBondContact CG2-OD2 3.49Å; D589-K635 IonicContact OD1-NZ 2.89Å; D589-K635 IonicContact OD2-NZ 3.47Å; D589-K635 PolarHBondContact OD2-NZ 3Å
590	L	74	Confident	67.8	Low	31 Å²	31	56 Å²	56	16%	0.162	34%	0.337	C	S	.	.	S	Bend	trans	-77.8	-8	175.4	-59	-179.7	0	0	0	112.8	L542 E546 S550 I576 G588 V632	L542-L590 HydrophobicContact CD1-CB 3.97Å; L542-L590 HydrophobicContact CD1-CD2 3.98Å; L542-L590 HydrophobicContact CD1-CG 4.47Å; L542-L590 HydrophobicContact CD2-CD2 3.47Å; L542-L590 VanDerWaalsContact CD2-CD2 3.47Å; L542-L590 HydrophobicContact CG-CD2 4.37Å; E546-L590 HydrophobicContact CB-CD1 4.39Å; S550-L590 PolarHBondContact OG-O 3.39Å; I576-L590 CarbonylContact C-O 3.57Å; I576-L590 VanDerWaalsContact O-O 3.09Å; G588-L590 VanDerWaalsContact C-N 3.3Å; G588-L590 PolarHBondContact O-N 3.04Å; L590-V632 HydrophobicContact CD1-CG2 4.02Å
591	G	79.4	Confident	68.4	Low	7 Å²	7	63.8 Å²	63.8	7%	0.072	36%	0.363	C	S	.	.			trans	-172.6	177.3	-176.5	0	0	0	0	0	110.5	S575	S575-G591 CarbonylContact O-C 3.56Å; S575-G591 WeakPolarHBondContact O-CA 3.43Å
592	F	84.6	Confident	69.5	Low	18 Å²	18	67.5 Å²	67.5	8%	0.079	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	146.4	171	73.8	-83.5	0	0	0	111.8	E529 A533 S575 R579 Q594	E529-F592 HydrophobicContact CB-CZ 4.41Å; E529-F592 HydrophobicContact CG-CE2 4.39Å; E529-F592 HydrophobicContact CG-CZ 3.92Å; A533-F592 HydrophobicContact CB-CD1 4.05Å; A533-F592 HydrophobicContact CB-CE1 4.33Å; A533-F592 HydrophobicContact CB-CG 4.16Å; S575-F592 VanDerWaalsContact CB-CE1 3.48Å; S575-F592 PolarHBondContact N-O 2.75Å; S575-F592 PolarHBondContact O-N 3.47Å; R579-F592 HydrophobicContact CG-CD1 4.42Å; F592-Q594 HydrophobicContact CD2-CB 4.45Å; F592-Q594 HydrophobicContact CE2-CB 4.24Å
593	T	85.9	Confident	71.4	Confident	11 Å²	11	63.7 Å²	63.7	7%	0.067	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118	165.6	-61	0	0	0	0	109.1	E554 A558 P571 I574 L595	E554-T593 PolarHBondContact O-OG1 3.26Å; E554-T593 VanDerWaalsContact OE2-CB 3.27Å; E554-T593 WeakPolarHBondContact OE2-CB 3.46Å; E554-T593 PolarHBondContact OE2-N 3.03Å; E554-T593 PolarHBondContact OE2-OG1 3.03Å; A558-T593 HydrophobicContact CB-CG2 4.05Å; P571-T593 HydrophobicContact CB-CG2 4.23Å; I574-T593 HydrophobicContact CG1-CG2 4.27Å; T593-L595 HydrophobicContact CG2-CD2 3.7Å; T593-L595 HydrophobicContact CG2-CG 3.99Å; T593-L595 PolarHBondContact O-N 3.35Å
594	Q	85	Confident	73	Confident	5 Å²	5	64.8 Å²	64.8	2%	0.023	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	107.6	172.6	-177	-178.5	-22.3	0	0	109.3	F528 L532 V572 K573 F592	F528-Q594 VanDerWaalsContact CE1-CD 3.46Å; F528-Q594 HydrophobicContact CE1-CG 4.09Å; L532-Q594 HydrophobicContact CD2-CG 4.14Å; V572-Q594 PolarHBondContact N-O 3.24Å; K573-Q594 HydrophobicContact CB-CB 4.15Å; K573-Q594 PolarHBondContact O-N 2.94Å; F592-Q594 HydrophobicContact CD2-CB 4.45Å; F592-Q594 HydrophobicContact CE2-CB 4.24Å
595	L	86.3	Confident	75.3	Confident	49 Å²	49	60.9 Å²	60.9	26%	0.257	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124.1	177.3	-61.2	170.5	0	0	0	109.4	A561 I569 L570 P571 T593 V614	A561-L595 HydrophobicContact CB-CD2 3.7Å; I569-L595 HydrophobicContact CG2-CB 3.99Å; I569-L595 HydrophobicContact CG2-CD1 4.42Å; I569-L595 HydrophobicContact CG2-CD2 4.05Å; I569-L595 HydrophobicContact CG2-CG 4.38Å; L570-L595 CarbonylContact O-C 3.36Å; L570-L595 WeakPolarHBondContact O-CA 3.3Å; P571-L595 HydrophobicContact CB-CD2 4.05Å; T593-L595 HydrophobicContact CG2-CD2 3.7Å; T593-L595 HydrophobicContact CG2-CG 3.99Å; T593-L595 PolarHBondContact O-N 3.35Å; L595-V614 HydrophobicContact CD1-CG1 3.52Å; L595-V614 HydrophobicContact CD2-CG1 4.41Å
596	I	82.8	Confident	77.4	Confident	25 Å²	25	59.3 Å²	59.3	13%	0.128	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.1	168.9	-60	174.5	0	0	0	107.7	A488 W489 I569 L570 V572	A488-I596 WeakPolarHBondContact O-CG2 3.26Å; W489-I596 HydrophobicContact CB-CD1 3.94Å; W489-I596 HydrophobicContact CD2-CD1 4.31Å; W489-I596 HydrophobicContact CG-CD1 3.53Å; I569-I596 CarbonylContact C-O 3.56Å; I569-I596 WeakPolarHBondContact CA-O 3.28Å; L570-I596 PolarHBondContact N-O 3.28Å; L570-I596 PolarHBondContact O-N 3.3Å; V572-I596 HydrophobicContact CB-CD1 4.19Å; V572-I596 HydrophobicContact CG2-CB 4.46Å; V572-I596 HydrophobicContact CG2-CD1 3.24Å; V572-I596 HydrophobicContact CG2-CG1 3.76Å
597	S	79.8	Confident	79.3	Confident	42 Å²	42	58.4 Å²	58.4	29%	0.294	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	140.4	172.2	-58.6	0	0	0	0	109.8	G568	G568-S597 CarbonylContact O-C 3.49Å; G568-S597 WeakPolarHBondContact O-CA 3.46Å
598	E	76.4	Confident	81.5	Confident	89 Å²	89	51.5 Å²	51.5	42%	0.416	27%	0.269	S	S	.	.			trans	-60.6	141.6	166.8	-72	176	-179.4	0	0	111	G568 K600	G568-E598 PolarHBondContact O-N 2.98Å; E598-K600 VanDerWaalsContact C-N 3.29Å; E598-K600 PolarHBondContact O-N 3.41Å
599	E	73.6	Confident	83.4	Confident	84 Å²	84	51 Å²	51	39%	0.393	26%	0.262	S	S	.	.			trans	-75.6	79.4	179.1	-63.8	-175.7	142.3	0	0	110.2	R460 P491	R460-E599 IonicContact CZ-OE1 3.41Å; R460-E599 IonicContact CZ-OE2 2.91Å; R460-E599 IonicContact NH1-OE1 3.54Å; R460-E599 PolarHBondContact NH1-OE1 3.44Å; R460-E599 IonicContact NH1-OE2 3.57Å; R460-E599 PolarHBondContact NH1-OE2 3Å; R460-E599 IonicContact NH2-OE1 2.71Å; R460-E599 PolarHBondContact NH2-OE1 3.33Å; R460-E599 IonicContact NH2-OE2 3.54Å; R460-E599 PolarHBondContact NH2-OE2 3.06Å; P491-E599 WeakPolarHBondContact CA-OE1 3.35Å; P491-E599 HydrophobicContact CB-CG 3.83Å; P491-E599 VanDerWaalsContact CB-OE1 3.3Å; P491-E599 WeakPolarHBondContact CB-OE1 3.35Å
600	K	78.5	Confident	84.8	Confident	60 Å²	60	49.4 Å²	49.4	26%	0.261	25%	0.254	S	S	.	.			trans	-93.3	121.9	172.3	-65	-178.8	-179	170.4	0	110.2	E598 L603 D607	E598-K600 VanDerWaalsContact C-N 3.29Å; E598-K600 PolarHBondContact O-N 3.41Å; K600-L603 HydrophobicContact CB-CD2 4.09Å; K600-D607 IonicContact NZ-OD1 3.67Å; K600-D607 PolarHBondContact NZ-OD1 3.26Å
601	Y	78.1	Confident	85.7	Confident	214 Å²	214	50.7 Å²	50.7	84%	0.839	26%	0.256	S	S	*	.	S	Bend	trans	-77.1	-27.3	171.6	-68.5	-79.4	0	0	0	113
602	L	86.1	Confident	86.5	Confident	130 Å²	130	50.4 Å²	50.4	68%	0.681	25%	0.253	S	S	*	.	S	Bend	trans	-111.1	127.1	178.4	-59.5	175	0	0	0	108.9
603	L	86.9	Confident	87	Confident	48 Å²	48	49.6 Å²	49.6	25%	0.251	25%	0.249	S	C	.	.			trans	-117.6	128.3	177.8	-61	174.7	0	0	0	109.6	K600 D607 L608 R611	K600-L603 HydrophobicContact CB-CD2 4.09Å; L603-D607 HydrophobicContact CB-CB 4.49Å; L603-D607 HydrophobicContact CD2-CB 4.23Å; L603-L608 HydrophobicContact CB-CD2 4.41Å; L603-L608 HydrophobicContact CB-CG 4.49Å; L603-L608 HydrophobicContact CD1-CD2 4.05Å; L603-R611 VanDerWaalsContact CD1-NH1 3.29Å
604	N	89.4	Confident	87.4	Confident	55 Å²	55	49.2 Å²	49.2	29%	0.294	25%	0.247	S	C	.	.			trans	-86.3	166.2	173.5	-63.7	-37.3	0	0	0	111.2	D606 D607 L608 R744	N604-D606 PolarHBondContact O-N 3.42Å; N604-D607 WeakPolarHBondContact CB-OD2 3.4Å; N604-D607 PolarHBondContact N-OD2 3.37Å; N604-D607 PolarHBondContact O-N 2.93Å; N604-L608 PolarHBondContact O-N 3.15Å; N604-L608 VanDerWaalsContact O-N 3.08Å; N604-R744 PolarHBondContact ND2-O 2.86Å
605	A	91.4	Very high	87.9	Confident	45 Å²	45	50.3 Å²	50.3	37%	0.372	25%	0.253	S	S	.	.	H	α-helix	trans	-55.4	-36.8	173.5	0	0	0	0	0	112.1	L608 A609 M653	A605-L608 PolarHBondContact O-N 2.91Å; A605-A609 WeakPolarHBondContact O-CB 3.38Å; A605-A609 PolarHBondContact O-N 3.46Å; A605-M653 HydrophobicContact CB-SD 4.07Å
606	D	91.2	Very high	88.3	Confident	82 Å²	82	48.1 Å²	48.1	44%	0.439	24%	0.242	S	C	.	.	H	α-helix	trans	-63.9	-44.1	174.5	-72.9	-2.8	0	0	0	112.5	N604 L608 A609 D610 R744	N604-D606 PolarHBondContact O-N 3.42Å; D606-L608 VanDerWaalsContact C-N 3.28Å; D606-L608 PolarHBondContact O-N 2.87Å; D606-A609 PolarHBondContact O-N 3Å; D606-D610 WeakPolarHBondContact O-CB 3.46Å; D606-D610 VanDerWaalsContact O-CG 3.31Å; D606-D610 PolarHBondContact O-N 3.49Å; D606-R744 IonicContact OD2-NH1 3.87Å; D606-R744 PolarHBondContact OD2-NH1 2.96Å
607	D	90.6	Very high	88.9	Confident	12 Å²	12	46.9 Å²	46.9	6%	0.064	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-37.6	179	-64.7	-61.4	0	0	0	110.6	K600 L603 N604 R611	K600-D607 IonicContact NZ-OD1 3.67Å; K600-D607 PolarHBondContact NZ-OD1 3.26Å; L603-D607 HydrophobicContact CB-CB 4.49Å; L603-D607 HydrophobicContact CD2-CB 4.23Å; N604-D607 WeakPolarHBondContact CB-OD2 3.4Å; N604-D607 PolarHBondContact N-OD2 3.37Å; N604-D607 PolarHBondContact O-N 2.93Å; D607-R611 WeakPolarHBondContact O-CB 3.28Å; D607-R611 VanDerWaalsContact O-CG 3.29Å; D607-R611 WeakPolarHBondContact O-CG 3.42Å; D607-R611 PolarHBondContact O-N 3.44Å
608	L	92.3	Very high	89.6	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-67.7	-42.7	174.7	-66	175.5	0	0	0	111.6	L603 N604 A605 D606 D610 R611 M612 Q647 F651 M653	L603-L608 HydrophobicContact CB-CD2 4.41Å; L603-L608 HydrophobicContact CB-CG 4.49Å; L603-L608 HydrophobicContact CD1-CD2 4.05Å; N604-L608 PolarHBondContact O-N 3.15Å; N604-L608 VanDerWaalsContact O-N 3.08Å; A605-L608 PolarHBondContact O-N 2.91Å; D606-L608 VanDerWaalsContact C-N 3.28Å; D606-L608 PolarHBondContact O-N 2.87Å; L608-D610 VanDerWaalsContact C-N 3.33Å; L608-D610 PolarHBondContact O-N 3.45Å; L608-R611 PolarHBondContact O-N 3.06Å; L608-M612 WeakPolarHBondContact O-CG 3.45Å; L608-M612 PolarHBondContact O-N 3.37Å; L608-Q647 HydrophobicContact CD1-CB 4.11Å; L608-Q647 HydrophobicContact CD1-CG 3.92Å; L608-F651 HydrophobicContact CD1-CD2 3.87Å; L608-F651 HydrophobicContact CD1-CE2 4.11Å; L608-F651 HydrophobicContact CD2-CE2 4.48Å; L608-M653 HydrophobicContact CD1-CE 4.18Å; L608-M653 HydrophobicContact CD1-SD 3.73Å
609	A	93.8	Very high	90.5	Very high	25 Å²	25	43.7 Å²	43.7	21%	0.207	21%	0.213	C	C	.	.	H	α-helix	trans	-62.3	-40.4	175.7	0	0	0	0	0	111.9	A605 D606 M612 S613	A605-A609 WeakPolarHBondContact O-CB 3.38Å; A605-A609 PolarHBondContact O-N 3.46Å; D606-A609 PolarHBondContact O-N 3Å; A609-M612 PolarHBondContact O-N 3.35Å; A609-S613 WeakPolarHBondContact O-CB 3.46Å; A609-S613 PolarHBondContact O-N 3.46Å; A609-S613 PolarHBondContact O-OG 3.1Å
610	D	93.9	Very high	91.6	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-63.8	-46.4	175.3	-74.2	-0.7	0	0	0	111	L564 D606 L608 M612 S613 V614 R698	L564-D610 HydrophobicContact CD1-CB 4.07Å; D606-D610 WeakPolarHBondContact O-CB 3.46Å; D606-D610 VanDerWaalsContact O-CG 3.31Å; D606-D610 PolarHBondContact O-N 3.49Å; L608-D610 VanDerWaalsContact C-N 3.33Å; L608-D610 PolarHBondContact O-N 3.45Å; D610-M612 PolarHBondContact O-N 3.35Å; D610-S613 WeakPolarHBondContact O-CB 3.41Å; D610-S613 PolarHBondContact O-N 3.34Å; D610-S613 VanDerWaalsContact O-N 3.14Å; D610-V614 WeakPolarHBondContact O-CG2 2.92Å; D610-V614 PolarHBondContact O-N 3.17Å; D610-R698 IonicContact OD1-CZ 2.71Å; D610-R698 IonicContact OD1-NH1 3.95Å; D610-R698 PolarHBondContact OD1-NH1 3.01Å; D610-R698 IonicContact OD1-NH2 3.67Å; D610-R698 PolarHBondContact OD1-NH2 2.87Å
611	R	93.5	Very high	92.5	Very high	59 Å²	59	36.9 Å²	36.9	22%	0.223	18%	0.182	C	C	.	.	H	α-helix	trans	-58.6	-45.9	175.4	-76.2	172	-179	-154.6	-0.6	112.3	I569 L603 D607 L608 S613 V614 L615 L643	I569-R611 HydrophobicContact CD1-CB 4.47Å; I569-R611 HydrophobicContact CD1-CG 3.65Å; L603-R611 VanDerWaalsContact CD1-NH1 3.29Å; D607-R611 WeakPolarHBondContact O-CB 3.28Å; D607-R611 VanDerWaalsContact O-CG 3.29Å; D607-R611 WeakPolarHBondContact O-CG 3.42Å; D607-R611 PolarHBondContact O-N 3.44Å; L608-R611 PolarHBondContact O-N 3.06Å; R611-S613 VanDerWaalsContact C-N 3.31Å; R611-S613 PolarHBondContact O-N 3.08Å; R611-V614 PolarHBondContact O-N 3.3Å; R611-L615 WeakPolarHBondContact O-CG 3.4Å; R611-L615 PolarHBondContact O-N 3.1Å; R611-L643 HydrophobicContact CB-CD1 4.26Å
612	M	95.5	Very high	93.3	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-62	-39.8	175.5	-71.9	-174	-70.5	0	0	111.6	L608 A609 D610 V614 L615 L616 L643 A644 L691 A695	L608-M612 WeakPolarHBondContact O-CG 3.45Å; L608-M612 PolarHBondContact O-N 3.37Å; A609-M612 PolarHBondContact O-N 3.35Å; D610-M612 PolarHBondContact O-N 3.35Å; M612-V614 PolarHBondContact O-N 2.88Å; M612-L615 PolarHBondContact O-N 2.93Å; M612-L616 WeakPolarHBondContact O-CB 3.4Å; M612-L616 VanDerWaalsContact O-CG 3.28Å; M612-L616 WeakPolarHBondContact O-CG 3.35Å; M612-L616 PolarHBondContact O-N 3.3Å; M612-L643 HydrophobicContact CG-CB 4.22Å; M612-L643 HydrophobicContact CG-CD1 4.41Å; M612-A644 HydrophobicContact SD-CB 3.91Å; M612-L691 HydrophobicContact CE-CB 4.27Å; M612-A695 HydrophobicContact CB-CB 3.72Å
613	S	96.2	Very high	93.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.6	-42.8	177.7	-56.9	0	0	0	0	111.5	A609 D610 R611 L616 G617 S699	A609-S613 WeakPolarHBondContact O-CB 3.46Å; A609-S613 PolarHBondContact O-N 3.46Å; A609-S613 PolarHBondContact O-OG 3.1Å; D610-S613 WeakPolarHBondContact O-CB 3.41Å; D610-S613 PolarHBondContact O-N 3.34Å; D610-S613 VanDerWaalsContact O-N 3.14Å; R611-S613 VanDerWaalsContact C-N 3.31Å; R611-S613 PolarHBondContact O-N 3.08Å; S613-L616 CarbonylContact O-C 3.45Å; S613-L616 PolarHBondContact O-N 3.49Å; S613-G617 PolarHBondContact O-N 3.47Å; S613-S699 VanDerWaalsContact C-OG 3.31Å; S613-S699 VanDerWaalsContact CA-OG 3.26Å; S613-S699 WeakPolarHBondContact CA-OG 3.46Å; S613-S699 WeakPolarHBondContact CB-OG 3.47Å; S613-S699 PolarHBondContact O-OG 2.97Å
614	V	94.9	Very high	94.2	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.018	12%	0.118	C	C	.	.	H	α-helix	trans	-63.9	-43.1	175.8	174.9	0	0	0	0	111.8	V560 A561 L564 I569 L595 D610 R611 M612 L616 G617	V560-V614 HydrophobicContact CG1-CG2 4.1Å; A561-V614 HydrophobicContact CB-CG1 3.95Å; A561-V614 HydrophobicContact CB-CG2 3.98Å; L564-V614 HydrophobicContact CD1-CG2 3.92Å; I569-V614 HydrophobicContact CD1-CG2 4.17Å; L595-V614 HydrophobicContact CD1-CG1 3.52Å; L595-V614 HydrophobicContact CD2-CG1 4.41Å; D610-V614 WeakPolarHBondContact O-CG2 2.92Å; D610-V614 PolarHBondContact O-N 3.17Å; R611-V614 PolarHBondContact O-N 3.3Å; M612-V614 PolarHBondContact O-N 2.88Å; V614-L616 VanDerWaalsContact C-N 3.32Å; V614-L616 PolarHBondContact O-N 3.27Å; V614-G617 PolarHBondContact O-N 3.36Å
615	L	94.2	Very high	94.5	Very high	29 Å²	29	21.7 Å²	21.7	15%	0.152	12%	0.117	C	C	.	.	H	α-helix	trans	-60.2	-43.8	176.1	-70.8	170.6	0	0	0	111.3	R611 M612 G617 H636 E639 A640 L643	R611-L615 WeakPolarHBondContact O-CG 3.4Å; R611-L615 PolarHBondContact O-N 3.1Å; M612-L615 PolarHBondContact O-N 2.93Å; L615-G617 VanDerWaalsContact C-N 3.28Å; L615-G617 PolarHBondContact O-N 3.1Å; L615-H636 HydrophobicContact CB-CB 4.44Å; L615-H636 VanDerWaalsContact O-CB 3.3Å; L615-H636 WeakPolarHBondContact O-CB 3.12Å; L615-E639 HydrophobicContact CD1-CB 4.03Å; L615-E639 HydrophobicContact CD2-CB 4.36Å; L615-A640 HydrophobicContact CB-CB 4.33Å; L615-A640 HydrophobicContact CD1-CB 4.17Å; L615-L643 HydrophobicContact CD1-CD1 3.73Å
616	L	95.8	Very high	94.6	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-81.1	-5.9	-179.1	-62.2	169.9	0	0	0	113.5	M612 S613 V614 G618 R619 A620 L637 A640 V692 A695 F696	M612-L616 WeakPolarHBondContact O-CB 3.4Å; M612-L616 VanDerWaalsContact O-CG 3.28Å; M612-L616 WeakPolarHBondContact O-CG 3.35Å; M612-L616 PolarHBondContact O-N 3.3Å; S613-L616 CarbonylContact O-C 3.45Å; S613-L616 PolarHBondContact O-N 3.49Å; V614-L616 VanDerWaalsContact C-N 3.32Å; V614-L616 PolarHBondContact O-N 3.27Å; L616-G618 VanDerWaalsContact C-N 3.3Å; L616-G618 PolarHBondContact O-N 3.31Å; L616-R619 PolarHBondContact O-N 3.36Å; L616-A620 WeakPolarHBondContact O-CB 3.42Å; L616-A620 PolarHBondContact O-N 3.34Å; L616-L637 HydrophobicContact CD2-CD2 3.6Å; L616-A640 HydrophobicContact CD2-CB 4.17Å; L616-A640 HydrophobicContact CG-CB 4.24Å; L616-V692 HydrophobicContact CD1-CG1 3.97Å; L616-V692 WeakPolarHBondContact CD1-O 3.13Å; L616-V692 HydrophobicContact CD2-CG1 4.45Å; L616-A695 HydrophobicContact CD1-CB 3.84Å; L616-F696 HydrophobicContact CB-CD2 4.44Å; L616-F696 HydrophobicContact CD1-CB 4.06Å
617	G	95.6	Very high	94.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.6	-35.8	-175.7	0	0	0	0	0	113.7	S613 V614 L615 A620 A621 L703	S613-G617 PolarHBondContact O-N 3.47Å; V614-G617 PolarHBondContact O-N 3.36Å; L615-G617 VanDerWaalsContact C-N 3.28Å; L615-G617 PolarHBondContact O-N 3.1Å; G617-A620 PolarHBondContact O-N 2.99Å; G617-A621 PolarHBondContact O-N 3.5Å; G617-L703 WeakPolarHBondContact O-CD1 3.5Å
618	G	94.8	Very high	94.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-69.9	-43.9	178.3	0	0	0	0	0	112.5	H553 R557 L616 A620 A621 E622	H553-G618 WeakPolarHBondContact O-CA 3.49Å; R557-G618 VanDerWaalsContact CG-N 3.29Å; L616-G618 VanDerWaalsContact C-N 3.3Å; L616-G618 PolarHBondContact O-N 3.31Å; G618-A620 VanDerWaalsContact C-N 3.29Å; G618-A620 PolarHBondContact O-N 2.98Å; G618-A621 PolarHBondContact O-N 3.36Å; G618-E622 PolarHBondContact O-N 3.46Å
619	R	94.9	Very high	94.6	Very high	64 Å²	64	31.7 Å²	31.7	24%	0.242	17%	0.165	C	C	.	.	H	α-helix	trans	-61.5	-39.2	173.3	-166.3	-177.8	174.8	81.4	3.5	111.6	L616 H623 I629 S633 F696	L616-R619 PolarHBondContact O-N 3.36Å; R619-H623 PolarHBondContact O-N 3.07Å; R619-I629 HydrophobicContact CG-CG2 3.47Å; R619-I629 VanDerWaalsContact CG-CG2 3.47Å; R619-S633 PolarHBondContact NH1-OG 3.22Å; R619-F696 HydrophobicContact CB-CE2 4.2Å; R619-F696 HydrophobicContact CG-CE2 3.94Å
620	A	96.9	Very high	94.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.7	-39.3	176.9	0	0	0	0	0	111.8	L616 G617 G618 H623 V624 F696 V700 L703	L616-A620 WeakPolarHBondContact O-CB 3.42Å; L616-A620 PolarHBondContact O-N 3.34Å; G617-A620 PolarHBondContact O-N 2.99Å; G618-A620 VanDerWaalsContact C-N 3.29Å; G618-A620 PolarHBondContact O-N 2.98Å; A620-H623 WeakPolarHBondContact O-CB 3.33Å; A620-H623 PolarHBondContact O-N 3.03Å; A620-V624 WeakPolarHBondContact O-CG2 3.34Å; A620-V624 PolarHBondContact O-N 3.3Å; A620-F696 HydrophobicContact CB-CD2 4.37Å; A620-F696 HydrophobicContact CB-CE2 4.07Å; A620-V700 HydrophobicContact CB-CG2 3.7Å; A620-L703 HydrophobicContact CB-CD1 3.69Å
621	A	96.8	Very high	94	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.4	-40.4	175.6	0	0	0	0	0	112.7	V552 G556 G617 G618 H623 V624 V625 L703 L710	V552-A621 HydrophobicContact CG1-CB 3.99Å; V552-A621 WeakPolarHBondContact O-CB 3.14Å; G556-A621 VanDerWaalsContact CA-CB 3.48Å; G617-A621 PolarHBondContact O-N 3.5Å; G618-A621 PolarHBondContact O-N 3.36Å; A621-H623 VanDerWaalsContact C-N 3.3Å; A621-H623 PolarHBondContact O-N 3.38Å; A621-V624 PolarHBondContact O-N 2.96Å; A621-V625 WeakPolarHBondContact O-CB 3.36Å; A621-V625 WeakPolarHBondContact O-CG2 3.05Å; A621-V625 PolarHBondContact O-N 2.99Å; A621-L703 HydrophobicContact CB-CD1 3.88Å; A621-L710 HydrophobicContact CB-CD1 4.23Å; A621-L710 HydrophobicContact CB-CD2 4.16Å
622	E	95.1	Very high	93.6	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.009	19%	0.19	C	C	.	.	H	α-helix	trans	-58	-44.3	172.9	-71.1	172.3	-137.5	0	0	111.7	V552 H553 G618 V625 Y626 A628 S630	V552-E622 HydrophobicContact CG1-CG 4.25Å; H553-E622 IonicContact CE1-OE1 3.01Å; H553-E622 IonicContact CG-OE1 2.61Å; H553-E622 IonicContact ND1-OE1 3.46Å; H553-E622 PolarHBondContact ND1-OE1 3.46Å; G618-E622 PolarHBondContact O-N 3.46Å; E622-V625 PolarHBondContact O-N 3.43Å; E622-Y626 HydrophobicContact CB-CD2 4.49Å; E622-Y626 WeakPolarHBondContact O-CB 3.38Å; E622-Y626 PolarHBondContact O-N 3.32Å; E622-A628 CarbonylContact C-O 3.53Å; E622-S630 PolarHBondContact OE1-OG 3.4Å; E622-S630 VanDerWaalsContact OE1-OG 3.12Å; E622-S630 VanDerWaalsContact OE2-CB 3.23Å; E622-S630 WeakPolarHBondContact OE2-CB 3.46Å; E622-S630 PolarHBondContact OE2-N 3.29Å; E622-S630 PolarHBondContact OE2-OG 2.95Å
623	H	95.8	Very high	93.2	Very high	62 Å²	62	35.8 Å²	35.8	29%	0.287	19%	0.19	S	C	.	.	H	α-helix	trans	-61.8	-44.1	175.9	-177.4	-84.7	0	0	0	112	R619 A620 A621 N627 F696	R619-H623 PolarHBondContact O-N 3.07Å; A620-H623 WeakPolarHBondContact O-CB 3.33Å; A620-H623 PolarHBondContact O-N 3.03Å; A621-H623 VanDerWaalsContact C-N 3.3Å; A621-H623 PolarHBondContact O-N 3.38Å; H623-N627 WeakPolarHBondContact O-CA 3.29Å; H623-N627 PolarHBondContact O-N 3.23Å; H623-F696 HydrophobicContact CB-CZ 4.24Å
624	V	95.9	Very high	92.8	Very high	20 Å²	20	41.3 Å²	41.3	12%	0.121	22%	0.216	C	C	.	.	H	α-helix	trans	-68.7	-35.7	-179.4	172.5	0	0	0	0	112.7	A620 A621 V700 L703 E704 L710	A620-V624 WeakPolarHBondContact O-CG2 3.34Å; A620-V624 PolarHBondContact O-N 3.3Å; A621-V624 PolarHBondContact O-N 2.96Å; V624-V700 HydrophobicContact CG2-CG1 4.07Å; V624-L703 HydrophobicContact CG2-CB 4.23Å; V624-E704 HydrophobicContact CG1-CG 4.29Å; V624-E704 HydrophobicContact CG2-CG 3.84Å; V624-L710 HydrophobicContact CG1-CD2 4.48Å
625	V	95.3	Very high	92.4	Very high	45 Å²	45	45.7 Å²	45.7	27%	0.273	24%	0.235	S	C	.	.	H	α-helix	trans	-87.6	-47.4	-176	175.9	0	0	0	0	112.1	V552 A621 E622 L710 I714	V552-V625 HydrophobicContact CG1-CB 4.06Å; V552-V625 HydrophobicContact CG1-CG2 3.98Å; V552-V625 HydrophobicContact CG2-CB 4.5Å; V552-V625 HydrophobicContact CG2-CG1 4.12Å; V552-V625 HydrophobicContact CG2-CG2 4.5Å; A621-V625 WeakPolarHBondContact O-CB 3.36Å; A621-V625 WeakPolarHBondContact O-CG2 3.05Å; A621-V625 PolarHBondContact O-N 2.99Å; E622-V625 PolarHBondContact O-N 3.43Å; V625-L710 HydrophobicContact CG2-CD2 4.05Å; V625-I714 HydrophobicContact CG2-CD1 4.06Å
626	Y	93.5	Very high	92.3	Very high	88 Å²	88	45 Å²	45	35%	0.345	23%	0.23	S	C	.	.	H	α-helix	trans	-104.1	-13.9	-173.3	-60.7	-65.5	0	0	0	114.4	H548 M549 V552 E622 A628	H548-Y626 AromaticContact ND1-CZ 3.62Å; H548-Y626 PolarHBondContact ND1-OH 3.07Å; M549-Y626 PolarHBondContact N-OH 3.43Å; V552-Y626 HydrophobicContact CB-CE2 4.16Å; V552-Y626 HydrophobicContact CG1-CE2 4.14Å; V552-Y626 HydrophobicContact CG2-CE2 3.91Å; E622-Y626 HydrophobicContact CB-CD2 4.49Å; E622-Y626 WeakPolarHBondContact O-CB 3.38Å; E622-Y626 PolarHBondContact O-N 3.32Å; Y626-A628 PolarHBondContact O-N 2.97Å
627	N	92.8	Very high	92.2	Very high	132 Å²	132	47.6 Å²	47.6	71%	0.706	24%	0.244	S	C	*	.	S	Bend	trans	53.2	30.7	-167.4	-161.9	31.7	0	0	0	112.5	H623	H623-N627 WeakPolarHBondContact O-CA 3.29Å; H623-N627 PolarHBondContact O-N 3.23Å
628	A	91.7	Very high	92	Very high	56 Å²	56	53 Å²	53	46%	0.463	26%	0.264	S	S	.	.			trans	-145.9	163.7	-179.6	0	0	0	0	0	108.7	E622 Y626	E622-A628 CarbonylContact C-O 3.53Å; Y626-A628 PolarHBondContact O-N 2.97Å
629	I	90.4	Very high	91.9	Very high	74 Å²	74	56.8 Å²	56.8	38%	0.379	28%	0.282	S	S	.	.			trans	-136.3	140.1	-176	-44.2	171.6	0	0	0	111.1	R619	R619-I629 HydrophobicContact CG-CG2 3.47Å; R619-I629 VanDerWaalsContact CG-CG2 3.47Å
630	S	87.3	Confident	92	Very high	18 Å²	18	53.7 Å²	53.7	13%	0.126	27%	0.271	C	S	.	.			trans	-102.2	171.6	-179.9	73.4	0	0	0	0	114.2	M549 E622 V632 S633	M549-S630 VanDerWaalsContact SD-CB 3.6Å; E622-S630 PolarHBondContact OE1-OG 3.4Å; E622-S630 VanDerWaalsContact OE1-OG 3.12Å; E622-S630 VanDerWaalsContact OE2-CB 3.23Å; E622-S630 WeakPolarHBondContact OE2-CB 3.46Å; E622-S630 PolarHBondContact OE2-N 3.29Å; E622-S630 PolarHBondContact OE2-OG 2.95Å; S630-V632 WeakPolarHBondContact OG-CB 3.33Å; S630-V632 PolarHBondContact OG-N 3.4Å; S630-S633 PolarHBondContact O-OG 3.41Å
631	D	87.3	Confident	91.9	Very high	133 Å²	133	57 Å²	57	71%	0.711	29%	0.288	S	S	*	.	S	Bend	trans	-78.8	-14.3	172.6	60	-23.3	0	0	0	113.7	S633 E634	D631-S633 PolarHBondContact O-N 3.18Å; D631-E634 WeakPolarHBondContact O-CB 3.04Å; D631-E634 PolarHBondContact O-N 2.71Å
632	V	85.3	Confident	91.8	Very high	22 Å²	22	61.9 Å²	61.9	13%	0.133	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-28.7	177.5	-177.6	0	0	0	0	112.2	M549 L590 S630 E634	M549-V632 HydrophobicContact SD-CG2 4.27Å; L590-V632 HydrophobicContact CD1-CG2 4.02Å; S630-V632 WeakPolarHBondContact OG-CB 3.33Å; S630-V632 PolarHBondContact OG-N 3.4Å; V632-E634 VanDerWaalsContact C-N 3.32Å; V632-E634 PolarHBondContact O-N 3.38Å
633	S	86.2	Confident	91.8	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.014	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-1.7	179.1	63.2	0	0	0	0	115.9	R619 S630 D631 K635 H636 L637	R619-S633 PolarHBondContact NH1-OG 3.22Å; S630-S633 PolarHBondContact O-OG 3.41Å; D631-S633 PolarHBondContact O-N 3.18Å; S633-K635 PolarHBondContact O-N 3.06Å; S633-H636 PolarHBondContact O-N 2.94Å; S633-H636 VanDerWaalsContact O-N 3.16Å; S633-L637 WeakPolarHBondContact O-CB 3.15Å; S633-L637 WeakPolarHBondContact O-CG 3.48Å; S633-L637 PolarHBondContact O-N 3.4Å
634	E	88.3	Confident	91.8	Very high	115 Å²	115	60.6 Å²	60.6	54%	0.537	30%	0.304	S	S	.	.	H	α-helix	trans	-54.4	-49.4	-173.9	-167.9	-159.3	145.1	0	0	112.8	D631 V632 H636 L637 R638	D631-E634 WeakPolarHBondContact O-CB 3.04Å; D631-E634 PolarHBondContact O-N 2.71Å; V632-E634 VanDerWaalsContact C-N 3.32Å; V632-E634 PolarHBondContact O-N 3.38Å; E634-H636 VanDerWaalsContact C-N 3.34Å; E634-H636 PolarHBondContact O-N 2.87Å; E634-L637 WeakPolarHBondContact O-CB 3.39Å; E634-L637 PolarHBondContact O-N 3.39Å; E634-R638 WeakPolarHBondContact O-CB 3.3Å; E634-R638 PolarHBondContact O-N 3.29Å; E634-R638 IonicContact OE1-CZ 3.36Å; E634-R638 IonicContact OE1-NH2 3.97Å; E634-R638 PolarHBondContact OE1-NH2 3.33Å
635	K	87.3	Confident	91.7	Very high	96 Å²	96	63.5 Å²	63.5	42%	0.417	32%	0.315	S	S	.	.	H	α-helix	trans	-57.3	-46.7	178.9	179.8	-177	-178.8	-177.7	0	111.7	D589 S633 R638 E639	D589-K635 IonicContact OD1-NZ 2.89Å; D589-K635 IonicContact OD2-NZ 3.47Å; D589-K635 PolarHBondContact OD2-NZ 3Å; S633-K635 PolarHBondContact O-N 3.06Å; K635-R638 PolarHBondContact O-N 3.01Å; K635-E639 PolarHBondContact O-N 2.58Å; K635-E639 VanDerWaalsContact O-N 3.1Å
636	H	91.1	Very high	91.6	Very high	14 Å²	14	64.2 Å²	64.2	7%	0.065	32%	0.315	C	S	.	.	H	α-helix	trans	-69.1	-35.5	179.8	-58.7	125.9	0	0	0	112.4	H553 R557 L615 S633 E634 A640	H553-H636 AromaticContact CE1-ND1 3.87Å; H553-H636 AromaticContact NE2-CE1 3.41Å; H553-H636 PolarHBondContact NE2-CE1 3.29Å; H553-H636 AromaticContact NE2-ND1 3.11Å; H553-H636 PolarHBondContact NE2-ND1 3.38Å; H553-H636 VanDerWaalsContact NE2-ND1 3.11Å; R557-H636 VanDerWaalsContact CZ-CE1 3.47Å; R557-H636 PolarHBondContact NE-NE2 2.93Å; R557-H636 PolarHBondContact NH1-CE1 3.15Å; R557-H636 PolarHBondContact NH1-NE2 3.06Å; R557-H636 VanDerWaalsContact NH1-NE2 3.17Å; R557-H636 PolarHBondContact NH2-NE2 3.04Å; L615-H636 HydrophobicContact CB-CB 4.44Å; L615-H636 VanDerWaalsContact O-CB 3.3Å; L615-H636 WeakPolarHBondContact O-CB 3.12Å; S633-H636 PolarHBondContact O-N 2.94Å; S633-H636 VanDerWaalsContact O-N 3.16Å; E634-H636 VanDerWaalsContact C-N 3.34Å; E634-H636 PolarHBondContact O-N 2.87Å; H636-A640 VanDerWaalsContact O-CB 3.3Å; H636-A640 WeakPolarHBondContact O-CB 3.45Å; H636-A640 PolarHBondContact O-N 2.95Å
637	L	93.1	Very high	91.7	Very high	56 Å²	56	60.6 Å²	60.6	29%	0.293	30%	0.301	S	S	.	.	H	α-helix	trans	-65.3	-42.3	173.3	-74.2	170	0	0	0	111.8	L616 S633 E634 A640 N641	L616-L637 HydrophobicContact CD2-CD2 3.6Å; S633-L637 WeakPolarHBondContact O-CB 3.15Å; S633-L637 WeakPolarHBondContact O-CG 3.48Å; S633-L637 PolarHBondContact O-N 3.4Å; E634-L637 WeakPolarHBondContact O-CB 3.39Å; E634-L637 PolarHBondContact O-N 3.39Å; L637-A640 PolarHBondContact O-N 3.35Å; L637-N641 WeakPolarHBondContact O-CB 3.27Å; L637-N641 PolarHBondContact O-N 2.85Å
638	R	92.9	Very high	91.7	Very high	113 Å²	113	54.4 Å²	54.4	43%	0.426	27%	0.268	S	S	.	.	H	α-helix	trans	-60.4	-46.5	176.6	-168.5	-173.4	-61.5	-178.4	1.3	110.9	D585 E634 K635 N641 K642	D585-R638 IonicContact OD2-NH1 2.76Å; E634-R638 WeakPolarHBondContact O-CB 3.3Å; E634-R638 PolarHBondContact O-N 3.29Å; E634-R638 IonicContact OE1-CZ 3.36Å; E634-R638 IonicContact OE1-NH2 3.97Å; E634-R638 PolarHBondContact OE1-NH2 3.33Å; K635-R638 PolarHBondContact O-N 3.01Å; R638-N641 PolarHBondContact O-N 3.4Å; R638-K642 WeakPolarHBondContact O-CB 3.43Å; R638-K642 PolarHBondContact O-N 3.26Å
639	E	92.3	Very high	91.7	Very high	80 Å²	80	53.7 Å²	53.7	37%	0.374	25%	0.253	S	S	.	.	H	α-helix	trans	-67.7	-41.8	177.3	-70.6	-56.1	132.5	0	0	112.6	L615 K635 N641 K642 L643	L615-E639 HydrophobicContact CD1-CB 4.03Å; L615-E639 HydrophobicContact CD2-CB 4.36Å; K635-E639 PolarHBondContact O-N 2.58Å; K635-E639 VanDerWaalsContact O-N 3.1Å; E639-N641 PolarHBondContact O-N 3.01Å; E639-K642 WeakPolarHBondContact O-CB 3.33Å; E639-K642 PolarHBondContact O-N 2.98Å; E639-L643 WeakPolarHBondContact O-CG 3.5Å; E639-L643 PolarHBondContact O-N 3.39Å
640	A	95.8	Very high	91.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-42.9	175.8	0	0	0	0	0	111.7	L615 L616 H636 L637 L643 A644	L615-A640 HydrophobicContact CB-CB 4.33Å; L615-A640 HydrophobicContact CD1-CB 4.17Å; L616-A640 HydrophobicContact CD2-CB 4.17Å; L616-A640 HydrophobicContact CG-CB 4.24Å; H636-A640 VanDerWaalsContact O-CB 3.3Å; H636-A640 WeakPolarHBondContact O-CB 3.45Å; H636-A640 PolarHBondContact O-N 2.95Å; L637-A640 PolarHBondContact O-N 3.35Å; A640-L643 PolarHBondContact O-N 2.93Å; A640-A644 WeakPolarHBondContact O-CB 3.34Å; A640-A644 PolarHBondContact O-N 2.91Å
641	N	95.6	Very high	92	Very high	68 Å²	68	56 Å²	56	36%	0.364	26%	0.259	S	S	.	.	H	α-helix	trans	-62.3	-42.1	175	-175.3	24.9	0	0	0	111.6	L637 R638 E639 A644 K645	L637-N641 WeakPolarHBondContact O-CB 3.27Å; L637-N641 PolarHBondContact O-N 2.85Å; R638-N641 PolarHBondContact O-N 3.4Å; E639-N641 PolarHBondContact O-N 3.01Å; N641-A644 PolarHBondContact O-N 3.19Å; N641-K645 WeakPolarHBondContact O-CB 3.28Å; N641-K645 WeakPolarHBondContact O-CG 3.39Å; N641-K645 PolarHBondContact O-N 3.3Å; N641-K645 WeakPolarHBondContact OD1-CE 3.31Å
642	K	94.9	Very high	92.2	Very high	103 Å²	103	50.1 Å²	50.1	45%	0.448	23%	0.23	S	C	.	.	H	α-helix	trans	-61.5	-44.8	175.7	-174.7	-179.1	179.9	-177.3	0	111.6	R638 E639 K645 K646	R638-K642 WeakPolarHBondContact O-CB 3.43Å; R638-K642 PolarHBondContact O-N 3.26Å; E639-K642 WeakPolarHBondContact O-CB 3.33Å; E639-K642 PolarHBondContact O-N 2.98Å; K642-K645 PolarHBondContact O-N 3.02Å; K642-K646 WeakPolarHBondContact O-CG 3.45Å; K642-K646 PolarHBondContact O-N 3.35Å
643	L	94.7	Very high	92.6	Very high	37 Å²	37	52.7 Å²	52.7	19%	0.194	24%	0.241	C	C	.	.	H	α-helix	trans	-62.8	-46.2	175.7	-72.7	176.6	0	0	0	112	R611 M612 L615 E639 A640 K645 K646 Q647	R611-L643 HydrophobicContact CB-CD1 4.26Å; M612-L643 HydrophobicContact CG-CB 4.22Å; M612-L643 HydrophobicContact CG-CD1 4.41Å; L615-L643 HydrophobicContact CD1-CD1 3.73Å; E639-L643 WeakPolarHBondContact O-CG 3.5Å; E639-L643 PolarHBondContact O-N 3.39Å; A640-L643 PolarHBondContact O-N 2.93Å; L643-K645 PolarHBondContact O-N 3.45Å; L643-K646 PolarHBondContact O-N 3.39Å; L643-Q647 WeakPolarHBondContact O-CB 3.25Å; L643-Q647 PolarHBondContact O-N 3.02Å
644	A	96.2	Very high	92.8	Very high	0 Å²	0	53 Å²	53	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-44.8	177.4	0	0	0	0	0	111.8	M612 A640 N641 K646 Q647 V648 A688 L691 V692	M612-A644 HydrophobicContact SD-CB 3.91Å; A640-A644 WeakPolarHBondContact O-CB 3.34Å; A640-A644 PolarHBondContact O-N 2.91Å; N641-A644 PolarHBondContact O-N 3.19Å; A644-K646 PolarHBondContact O-N 3.31Å; A644-Q647 WeakPolarHBondContact O-CB 3.48Å; A644-Q647 PolarHBondContact O-N 3.35Å; A644-V648 VanDerWaalsContact O-CG2 3.31Å; A644-V648 WeakPolarHBondContact O-CG2 3.38Å; A644-V648 PolarHBondContact O-N 2.92Å; A644-A688 HydrophobicContact CB-CB 4.09Å; A644-L691 HydrophobicContact CB-CB 4.27Å; A644-L691 HydrophobicContact CB-CD1 4.45Å; A644-V692 HydrophobicContact CB-CG2 3.72Å
645	K	93.8	Very high	93	Very high	82 Å²	82	57.5 Å²	57.5	36%	0.357	26%	0.261	S	S	.	.	H	α-helix	trans	-61.8	-41.8	175.1	-75.3	-176.6	176.2	-166.6	0	112	N641 K642 L643 V648 R649 A688	N641-K645 WeakPolarHBondContact O-CB 3.28Å; N641-K645 WeakPolarHBondContact O-CG 3.39Å; N641-K645 PolarHBondContact O-N 3.3Å; N641-K645 WeakPolarHBondContact OD1-CE 3.31Å; K642-K645 PolarHBondContact O-N 3.02Å; L643-K645 PolarHBondContact O-N 3.45Å; K645-V648 PolarHBondContact O-N 2.86Å; K645-R649 WeakPolarHBondContact O-CB 3.34Å; K645-R649 PolarHBondContact O-N 2.85Å; K645-A688 HydrophobicContact CG-CB 4.18Å
646	K	93.5	Very high	93.2	Very high	60 Å²	60	56 Å²	56	26%	0.261	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-43	174.7	-75.5	-171.9	173	-162.6	0	112.4	K642 L643 A644 V648 Q650 F651	K642-K646 WeakPolarHBondContact O-CG 3.45Å; K642-K646 PolarHBondContact O-N 3.35Å; L643-K646 PolarHBondContact O-N 3.39Å; A644-K646 PolarHBondContact O-N 3.31Å; K646-V648 VanDerWaalsContact C-N 3.28Å; K646-V648 PolarHBondContact O-N 3.39Å; K646-Q650 WeakPolarHBondContact O-CA 3.49Å; K646-Q650 WeakPolarHBondContact O-CB 3.38Å; K646-Q650 PolarHBondContact O-N 2.79Å; K646-F651 HydrophobicContact CB-CE2 4.2Å; K646-F651 HydrophobicContact CB-CZ 4.38Å; K646-F651 PolarHBondContact O-N 3.29Å
647	Q	94.5	Very high	93.2	Very high	11 Å²	11	56.5 Å²	56.5	5%	0.051	27%	0.266	C	S	.	.	H	α-helix	trans	-57.8	-41.4	177.2	-175.9	171.4	4.7	0	0	112.3	L608 L643 A644 M653 L691	L608-Q647 HydrophobicContact CD1-CB 4.11Å; L608-Q647 HydrophobicContact CD1-CG 3.92Å; L643-Q647 WeakPolarHBondContact O-CB 3.25Å; L643-Q647 PolarHBondContact O-N 3.02Å; A644-Q647 WeakPolarHBondContact O-CB 3.48Å; A644-Q647 PolarHBondContact O-N 3.35Å; Q647-M653 HydrophobicContact CG-CB 3.72Å; Q647-M653 HydrophobicContact CG-CG 4.23Å; Q647-M653 HydrophobicContact CG-SD 3.82Å; Q647-M653 PolarHBondContact O-N 2.93Å; Q647-M653 VanDerWaalsContact O-N 3.12Å; Q647-L691 HydrophobicContact CB-CD1 4.37Å; Q647-L691 HydrophobicContact CG-CD1 4.2Å
648	V	94.2	Very high	93	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.012	26%	0.262	C	S	.	.	H	α-helix	trans	-82.2	-42.7	-178.1	176	0	0	0	0	112.2	A644 K645 K646 I657 M684 E687 L691	A644-V648 VanDerWaalsContact O-CG2 3.31Å; A644-V648 WeakPolarHBondContact O-CG2 3.38Å; A644-V648 PolarHBondContact O-N 2.92Å; K645-V648 PolarHBondContact O-N 2.86Å; K646-V648 VanDerWaalsContact C-N 3.28Å; K646-V648 PolarHBondContact O-N 3.39Å; V648-I657 HydrophobicContact CG1-CD1 3.24Å; V648-M684 HydrophobicContact CG1-CB 4.06Å; V648-M684 HydrophobicContact CG1-CG 4.03Å; V648-E687 HydrophobicContact CG1-CB 4.07Å; V648-E687 HydrophobicContact CG2-CB 4.02Å; V648-L691 HydrophobicContact CG2-CD1 3.58Å
649	R	91.6	Very high	93	Very high	41 Å²	41	57 Å²	57	16%	0.155	28%	0.282	C	S	.	.	H	α-helix	trans	-90.5	-40.3	-171.3	-176.9	-177	167.8	163	3.8	114.5	K645 S661 F662 D663	K645-R649 WeakPolarHBondContact O-CB 3.34Å; K645-R649 PolarHBondContact O-N 2.85Å; R649-S661 WeakPolarHBondContact O-CA 3.38Å; R649-F662 HydrophobicContact CG-CB 3.86Å; R649-F662 HydrophobicContact CG-CD2 4.39Å; R649-F662 PolarHBondContact NE-O 3.24Å; R649-F662 VanDerWaalsContact NE-O 3.12Å; R649-F662 PolarHBondContact O-N 3.48Å; R649-D663 PolarHBondContact NH2-O 2.81Å
650	Q	91.7	Very high	93	Very high	44 Å²	44	57.7 Å²	57.7	21%	0.206	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-41.9	-171.8	-68.3	176.6	-2	0	0	112	K646 S661 E664	K646-Q650 WeakPolarHBondContact O-CA 3.49Å; K646-Q650 WeakPolarHBondContact O-CB 3.38Å; K646-Q650 PolarHBondContact O-N 2.79Å; Q650-S661 WeakPolarHBondContact O-CB 3.36Å; Q650-S661 PolarHBondContact O-OG 2.89Å; Q650-S661 VanDerWaalsContact O-OG 3.11Å; Q650-E664 VanDerWaalsContact NE2-CD 3.34Å; Q650-E664 PolarHBondContact NE2-OE2 2.97Å
651	F	92.5	Very high	92.8	Very high	98 Å²	98	61.3 Å²	61.3	43%	0.43	31%	0.313	S	S	.	.	S	Bend	trans	-86.4	-9.8	-175.7	-55.5	-28.2	0	0	0	113.9	L608 K646 M653	L608-F651 HydrophobicContact CD1-CD2 3.87Å; L608-F651 HydrophobicContact CD1-CE2 4.11Å; L608-F651 HydrophobicContact CD2-CE2 4.48Å; K646-F651 HydrophobicContact CB-CE2 4.2Å; K646-F651 HydrophobicContact CB-CZ 4.38Å; K646-F651 PolarHBondContact O-N 3.29Å; F651-M653 VanDerWaalsContact C-N 3.28Å; F651-M653 HydrophobicContact CB-CE 4.15Å; F651-M653 HydrophobicContact CB-CG 3.93Å; F651-M653 HydrophobicContact CB-SD 4.29Å; F651-M653 PolarHBondContact O-N 3.44Å
652	G	91.9	Very high	92.4	Very high	9 Å²	9	59.7 Å²	59.7	9%	0.093	30%	0.303	C	S	.	.			trans	61.5	32.6	178.6	0	0	0	0	0	113.8	L660	G652-L660 WeakPolarHBondContact CA-O 3.27Å
653	M	92.4	Very high	91.7	Very high	75 Å²	75	60.2 Å²	60.2	37%	0.369	31%	0.311	S	S	.	.			trans	-91.5	-0.3	-176	-64.6	-174.8	176	0	0	113.9	A605 L608 Q647 F651	A605-M653 HydrophobicContact CB-SD 4.07Å; L608-M653 HydrophobicContact CD1-CE 4.18Å; L608-M653 HydrophobicContact CD1-SD 3.73Å; Q647-M653 HydrophobicContact CG-CB 3.72Å; Q647-M653 HydrophobicContact CG-CG 4.23Å; Q647-M653 HydrophobicContact CG-SD 3.82Å; Q647-M653 PolarHBondContact O-N 2.93Å; Q647-M653 VanDerWaalsContact O-N 3.12Å; F651-M653 VanDerWaalsContact C-N 3.28Å; F651-M653 HydrophobicContact CB-CE 4.15Å; F651-M653 HydrophobicContact CB-CG 3.93Å; F651-M653 HydrophobicContact CB-SD 4.29Å; F651-M653 PolarHBondContact O-N 3.44Å
654	S	91.3	Very high	90.4	Very high	9 Å²	9	62.4 Å²	62.4	6%	0.063	32%	0.32	C	S	.	.			trans	-87.3	134.2	176.1	174.5	0	0	0	0	111.2	S656 G658 E687	S654-S656 VanDerWaalsContact C-N 3.32Å; S654-S656 PolarHBondContact O-N 2.91Å; S654-S656 PolarHBondContact OG-N 2.91Å; S654-S656 PolarHBondContact OG-OG 3.36Å; S654-S656 VanDerWaalsContact OG-OG 3.1Å; S654-G658 WeakPolarHBondContact O-CA 3.31Å; S654-G658 PolarHBondContact O-N 2.81Å; S654-E687 WeakPolarHBondContact OG-CG 3.47Å; S654-E687 PolarHBondContact OG-OE2 3.41Å
655	K	91.2	Very high	88.6	Confident	210 Å²	210	70.5 Å²	70.5	91%	0.913	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-29.8	178.9	-65.8	-179.2	-179.3	177.4	0	113
656	S	92.3	Very high	86.6	Confident	64 Å²	64	69.9 Å²	69.9	45%	0.448	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-34.4	-174.3	56.3	0	0	0	0	113.1	S654 E687	S654-S656 VanDerWaalsContact C-N 3.32Å; S654-S656 PolarHBondContact O-N 2.91Å; S654-S656 PolarHBondContact OG-N 2.91Å; S654-S656 PolarHBondContact OG-OG 3.36Å; S654-S656 VanDerWaalsContact OG-OG 3.1Å; S656-E687 WeakPolarHBondContact CB-OE1 3.48Å; S656-E687 VanDerWaalsContact OG-CG 3.25Å; S656-E687 WeakPolarHBondContact OG-CG 3.36Å; S656-E687 PolarHBondContact OG-OE1 3.42Å
657	I	91	Very high	84.7	Confident	25 Å²	25	69 Å²	69	13%	0.128	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-36.5	173.8	-58.7	172	0	0	0	110.6	V648 L660 F662 I683 M684	V648-I657 HydrophobicContact CG1-CD1 3.24Å; I657-L660 HydrophobicContact CG2-CB 4.21Å; I657-L660 HydrophobicContact CG2-CD1 4.28Å; I657-F662 HydrophobicContact CG2-CE2 4.21Å; I657-I683 HydrophobicContact CG1-CG2 4.29Å; I657-M684 HydrophobicContact CD1-CB 4.16Å; I657-M684 HydrophobicContact CD1-CE 3.98Å; I657-M684 HydrophobicContact CD1-CG 3.2Å; I657-M684 HydrophobicContact CD1-SD 4.47Å; I657-M684 HydrophobicContact CG1-CG 4.3Å; I657-M684 HydrophobicContact CG2-CE 4.42Å
658	G	89.6	Confident	82.9	Confident	21 Å²	21	73.8 Å²	73.8	22%	0.216	40%	0.4	C	S	.	.			trans	82.8	-160.5	-173	0	0	0	0	0	112.7	S654 L660	S654-G658 WeakPolarHBondContact O-CA 3.31Å; S654-G658 PolarHBondContact O-N 2.81Å; G658-L660 PolarHBondContact O-N 3.43Å
659	N	92.7	Very high	81.3	Confident	158 Å²	158	75.3 Å²	75.3	85%	0.845	42%	0.416	S	S	*	.	S	Bend	trans	-84.6	53.8	-170.4	-55.6	-10.3	0	0	0	111.8
660	L	91.9	Very high	79.7	Confident	94 Å²	94	79.5 Å²	79.5	49%	0.492	45%	0.448	S	S	.	.			trans	-107.8	144.3	178.7	-61.4	176.2	0	0	0	110.6	G652 I657 G658 F662	G652-L660 WeakPolarHBondContact CA-O 3.27Å; I657-L660 HydrophobicContact CG2-CB 4.21Å; I657-L660 HydrophobicContact CG2-CD1 4.28Å; G658-L660 PolarHBondContact O-N 3.43Å; L660-F662 HydrophobicContact CB-CE2 3.81Å; L660-F662 HydrophobicContact CB-CZ 4.04Å; L660-F662 HydrophobicContact CD1-CE2 4.41Å; L660-F662 HydrophobicContact CD1-CZ 4.01Å
661	S	91.1	Very high	78.2	Confident	76 Å²	76	86.4 Å²	86.4	53%	0.531	48%	0.478	S	S	.	.			trans	-120	132.1	172.8	-179.6	0	0	0	0	110	R649 Q650	R649-S661 WeakPolarHBondContact O-CA 3.38Å; Q650-S661 WeakPolarHBondContact O-CB 3.36Å; Q650-S661 PolarHBondContact O-OG 2.89Å; Q650-S661 VanDerWaalsContact O-OG 3.11Å
662	F	87.9	Confident	77	Confident	34 Å²	34	83.8 Å²	83.8	15%	0.149	47%	0.472	C	S	.	.			trans	-123.6	114	176.5	-55.8	-84	0	0	0	110.5	R649 I657 L660 P675 F676 M684	R649-F662 HydrophobicContact CG-CB 3.86Å; R649-F662 HydrophobicContact CG-CD2 4.39Å; R649-F662 PolarHBondContact NE-O 3.24Å; R649-F662 VanDerWaalsContact NE-O 3.12Å; R649-F662 PolarHBondContact O-N 3.48Å; I657-F662 HydrophobicContact CG2-CE2 4.21Å; L660-F662 HydrophobicContact CB-CE2 3.81Å; L660-F662 HydrophobicContact CB-CZ 4.04Å; L660-F662 HydrophobicContact CD1-CE2 4.41Å; L660-F662 HydrophobicContact CD1-CZ 4.01Å; F662-P675 HydrophobicContact CB-CG 4.3Å; F662-P675 HydrophobicContact CD1-CB 4.4Å; F662-P675 HydrophobicContact CD1-CG 4.15Å; F662-F676 HydrophobicContact CB-CD1 4.16Å; F662-F676 HydrophobicContact CB-CE1 4.25Å; F662-F676 AromaticContact CD1-CD1 3.88Å; F662-F676 HydrophobicContact CD1-CD1 3.88Å; F662-F676 HydrophobicContact CD2-CD1 4.4Å; F662-F676 HydrophobicContact CE1-CB 4.21Å; F662-F676 HydrophobicContact CE1-CD1 4.34Å; F662-F676 AromaticContact CG-CD1 3.9Å; F662-F676 HydrophobicContact CG-CD1 3.9Å; F662-F676 HydrophobicContact CG-CE1 4.43Å; F662-M684 HydrophobicContact CD2-CE 3.31Å; F662-M684 HydrophobicContact CE2-CE 3.18Å; F662-M684 HydrophobicContact CG-CE 4.26Å; F662-M684 HydrophobicContact CZ-CE 4.05Å
663	D	78.8	Confident	75.9	Confident	115 Å²	115	89.5 Å²	89.5	62%	0.615	51%	0.505	S	S	*	.			trans	-61.7	143.1	179.2	-66.3	-26.8	0	0	0	112.2	R649	R649-D663 PolarHBondContact NH2-O 2.81Å
664	E	68.1	Low	75.3	Confident	82 Å²	82	90.7 Å²	90.7	38%	0.383	51%	0.508	S	S	.	.	S	Bend	trans	-80.4	-31.1	173.4	-81.9	-178.4	158	0	0	112.3	Q650 S666 S667	Q650-E664 VanDerWaalsContact NE2-CD 3.34Å; Q650-E664 PolarHBondContact NE2-OE2 2.97Å; E664-S666 VanDerWaalsContact C-N 3.32Å; E664-S666 PolarHBondContact O-N 3.38Å; E664-S667 WeakPolarHBondContact O-CB 3.26Å; E664-S667 PolarHBondContact O-N 3.19Å; E664-S667 PolarHBondContact O-OG 3.49Å
665	E	58.1	Low	75	Confident	171 Å²	171	93.4 Å²	93.4	80%	0.799	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-70	-25.4	-165.1	-68.1	-174.2	168.6	0	0	114.4	S667 S668	E665-S667 PolarHBondContact O-N 3.19Å; E665-S668 PolarHBondContact O-N 2.93Å; E665-S668 PolarHBondContact O-OG 3.05Å
666	S	52.8	Low	74.8	Confident	68 Å²	68	84.8 Å²	84.8	48%	0.476	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-62.3	-14.6	173.6	52.9	0	0	0	0	113	E664 S672	E664-S666 VanDerWaalsContact C-N 3.32Å; E664-S666 PolarHBondContact O-N 3.38Å; S666-S672 WeakPolarHBondContact O-CB 3.29Å
667	S	53.1	Low	74.6	Confident	41 Å²	41	85.2 Å²	85.2	29%	0.287	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-97.6	8.4	-173.6	-49.2	0	0	0	0	115.2	E664 E665 G669 S672	E664-S667 WeakPolarHBondContact O-CB 3.26Å; E664-S667 PolarHBondContact O-N 3.19Å; E664-S667 PolarHBondContact O-OG 3.49Å; E665-S667 PolarHBondContact O-N 3.19Å; S667-G669 PolarHBondContact O-N 3.47Å; S667-S672 WeakPolarHBondContact CA-OG 3.47Å; S667-S672 PolarHBondContact O-OG 3.41Å
668	S	57.7	Low	74.6	Confident	113 Å²	113	92.1 Å²	92.1	79%	0.79	52%	0.522	S	S	*	.			trans	-82.5	-6.7	-171	48.6	0	0	0	0	115.2	E665	E665-S668 PolarHBondContact O-N 2.93Å; E665-S668 PolarHBondContact O-OG 3.05Å
669	G	59	Low	74.8	Confident	34 Å²	34	98.7 Å²	98.7	35%	0.351	55%	0.545	S	S	.	.	S	Bend	trans	-96.5	148	173.6	0	0	0	0	0	112.8	S667 F671 S672	S667-G669 PolarHBondContact O-N 3.47Å; G669-F671 PolarHBondContact O-N 2.87Å; G669-S672 WeakPolarHBondContact O-CB 2.68Å; G669-S672 PolarHBondContact O-N 3.28Å; G669-S672 PolarHBondContact O-OG 2.71Å
670	P	59.5	Low	74.8	Confident	128 Å²	128	93.1 Å²	93.1	83%	0.831	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-13.7	178.1	22.3	-31.3	0	0	0	114.4
671	F	59.9	Low	74.8	Confident	189 Å²	189	90.9 Å²	90.9	83%	0.829	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	12.3	178.3	-64.5	-76.7	0	0	0	113.8	G669 V673	G669-F671 PolarHBondContact O-N 2.87Å; F671-V673 PolarHBondContact O-N 3.31Å
672	S	66.1	Low	74.9	Confident	43 Å²	43	89.4 Å²	89.4	30%	0.301	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-68.7	129.7	-178.3	55.5	0	0	0	0	111.9	S666 S667 G669	S666-S672 WeakPolarHBondContact O-CB 3.29Å; S667-S672 WeakPolarHBondContact CA-OG 3.47Å; S667-S672 PolarHBondContact O-OG 3.41Å; G669-S672 WeakPolarHBondContact O-CB 2.68Å; G669-S672 PolarHBondContact O-N 3.28Å; G669-S672 PolarHBondContact O-OG 2.71Å
673	V	70.3	Confident	75.3	Confident	130 Å²	130	90.8 Å²	90.8	79%	0.788	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-86	122.9	175.1	-178	0	0	0	0	108	F671	F671-V673 PolarHBondContact O-N 3.31Å
674	K	79.6	Confident	76	Confident	99 Å²	99	86 Å²	86	43%	0.43	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-60	138.7	174.6	-61.3	-179.5	-170.3	176.8	0	109.5	F676 E681	K674-F676 HydrophobicContact CB-CE2 4.24Å; K674-F676 HydrophobicContact CB-CZ 4.4Å; K674-F676 HydrophobicContact CD-CE2 4.05Å; K674-F676 HydrophobicContact CD-CZ 4.37Å; K674-F676 PolarHBondContact O-N 3.45Å; K674-E681 IonicContact NZ-OE1 3.34Å; K674-E681 PolarHBondContact NZ-OE1 2.98Å; K674-E681 IonicContact NZ-OE2 3.91Å; K674-E681 PolarHBondContact NZ-OE2 2.87Å
675	P	84.1	Confident	77.2	Confident	67 Å²	67	86.9 Å²	86.9	44%	0.435	48%	0.483	S	S	.	.	S	Bend	trans	-74.6	6.6	-175.9	30.6	-35.8	0	0	0	114.3	F662	F662-P675 HydrophobicContact CB-CG 4.3Å; F662-P675 HydrophobicContact CD1-CB 4.4Å; F662-P675 HydrophobicContact CD1-CG 4.15Å
676	F	86.4	Confident	79.1	Confident	28 Å²	28	83.5 Å²	83.5	12%	0.123	47%	0.469	C	S	.	.	S	Bend	trans	-137.4	156.6	-178.2	47.6	-102.9	0	0	0	111.4	F662 K674 T680 E681 M684	F662-F676 HydrophobicContact CB-CD1 4.16Å; F662-F676 HydrophobicContact CB-CE1 4.25Å; F662-F676 AromaticContact CD1-CD1 3.88Å; F662-F676 HydrophobicContact CD1-CD1 3.88Å; F662-F676 HydrophobicContact CD2-CD1 4.4Å; F662-F676 HydrophobicContact CE1-CB 4.21Å; F662-F676 HydrophobicContact CE1-CD1 4.34Å; F662-F676 AromaticContact CG-CD1 3.9Å; F662-F676 HydrophobicContact CG-CD1 3.9Å; F662-F676 HydrophobicContact CG-CE1 4.43Å; K674-F676 HydrophobicContact CB-CE2 4.24Å; K674-F676 HydrophobicContact CB-CZ 4.4Å; K674-F676 HydrophobicContact CD-CE2 4.05Å; K674-F676 HydrophobicContact CD-CZ 4.37Å; K674-F676 PolarHBondContact O-N 3.45Å; F676-T680 HydrophobicContact CB-CG2 4.12Å; F676-E681 HydrophobicContact CD2-CB 3.91Å; F676-E681 HydrophobicContact CE2-CB 3.67Å; F676-E681 HydrophobicContact CE2-CG 3.88Å; F676-M684 HydrophobicContact CD1-CE 4.21Å; F676-M684 HydrophobicContact CD1-SD 4.36Å; F676-M684 HydrophobicContact CD2-SD 4.49Å; F676-M684 HydrophobicContact CE1-SD 4.26Å; F676-M684 HydrophobicContact CE2-SD 4.39Å; F676-M684 HydrophobicContact CG-CE 4.44Å; F676-M684 HydrophobicContact CG-SD 4.48Å; F676-M684 HydrophobicContact CZ-SD 4.28Å
677	C	89.5	Confident	81.1	Confident	74 Å²	74	82.1 Å²	82.1	50%	0.5	46%	0.455	S	S	.	.			trans	-74.2	158.9	178.1	76.9	0	0	0	0	112	K679 T680 E681	C677-K679 PolarHBondContact O-N 3.13Å; C677-T680 WeakPolarHBondContact O-CB 3.46Å; C677-T680 PolarHBondContact O-N 3.17Å; C677-T680 PolarHBondContact SG-N 2.82Å; C677-T680 VanDerWaalsContact SG-N 3.44Å; C677-T680 PolarHBondContact SG-OG1 2.81Å; C677-E681 PolarHBondContact O-N 2.65Å
678	Q	91.1	Very high	83.1	Confident	170 Å²	170	80.2 Å²	80.2	79%	0.794	44%	0.442	S	S	*	.	H	α-helix	trans	-56.4	-32.7	178.1	-68.9	179	-4.2	0	0	113.2	E681 A682	Q678-E681 WeakPolarHBondContact O-CB 3.16Å; Q678-E681 PolarHBondContact O-N 2.84Å; Q678-A682 PolarHBondContact O-N 3.04Å
679	K	93.6	Very high	85	Confident	159 Å²	159	79.8 Å²	79.8	69%	0.691	43%	0.43	S	S	*	.	H	α-helix	trans	-65.8	-42.4	176.8	-175.6	-179.9	178.5	-178.1	0	111.8	C677 E681 A682 I683	C677-K679 PolarHBondContact O-N 3.13Å; K679-E681 VanDerWaalsContact C-N 3.32Å; K679-A682 PolarHBondContact O-N 3.26Å; K679-I683 HydrophobicContact CG-CD1 4.38Å; K679-I683 WeakPolarHBondContact O-CG1 3.23Å; K679-I683 PolarHBondContact O-N 2.91Å; K679-I683 VanDerWaalsContact O-N 3.12Å
680	T	92	Very high	86.7	Confident	40 Å²	40	83.4 Å²	83.4	25%	0.245	44%	0.438	C	S	.	.	H	α-helix	trans	-65.7	-39.6	176.1	-54.8	0	0	0	0	110.8	F676 C677 I683 M684	F676-T680 HydrophobicContact CB-CG2 4.12Å; C677-T680 WeakPolarHBondContact O-CB 3.46Å; C677-T680 PolarHBondContact O-N 3.17Å; C677-T680 PolarHBondContact SG-N 2.82Å; C677-T680 VanDerWaalsContact SG-N 3.44Å; C677-T680 PolarHBondContact SG-OG1 2.81Å; T680-I683 PolarHBondContact O-N 3.22Å; T680-M684 HydrophobicContact CG2-CE 3.63Å; T680-M684 HydrophobicContact CG2-SD 4.29Å; T680-M684 WeakPolarHBondContact O-CG 3.42Å; T680-M684 PolarHBondContact O-N 3.49Å
681	E	92	Very high	88.5	Confident	47 Å²	47	79.2 Å²	79.2	22%	0.22	41%	0.409	C	S	.	.	H	α-helix	trans	-58.1	-47.9	173.6	-172.5	163.9	-151.8	0	0	111.6	K674 F676 C677 Q678 K679 I683 M684 E685	K674-E681 IonicContact NZ-OE1 3.34Å; K674-E681 PolarHBondContact NZ-OE1 2.98Å; K674-E681 IonicContact NZ-OE2 3.91Å; K674-E681 PolarHBondContact NZ-OE2 2.87Å; F676-E681 HydrophobicContact CD2-CB 3.91Å; F676-E681 HydrophobicContact CE2-CB 3.67Å; F676-E681 HydrophobicContact CE2-CG 3.88Å; C677-E681 PolarHBondContact O-N 2.65Å; Q678-E681 WeakPolarHBondContact O-CB 3.16Å; Q678-E681 PolarHBondContact O-N 2.84Å; K679-E681 VanDerWaalsContact C-N 3.32Å; E681-I683 VanDerWaalsContact C-N 3.31Å; E681-I683 PolarHBondContact O-N 3.42Å; E681-M684 WeakPolarHBondContact O-CB 3.43Å; E681-M684 PolarHBondContact O-N 3.12Å; E681-E685 WeakPolarHBondContact O-CG 3.34Å; E681-E685 PolarHBondContact O-N 2.82Å
682	A	94.4	Very high	90.3	Very high	46 Å²	46	71.3 Å²	71.3	38%	0.38	38%	0.376	S	S	.	.	H	α-helix	trans	-60.1	-40.1	177.2	0	0	0	0	0	112.5	Q678 K679 E685 I686	Q678-A682 PolarHBondContact O-N 3.04Å; K679-A682 PolarHBondContact O-N 3.26Å; A682-E685 PolarHBondContact O-N 2.97Å; A682-I686 WeakPolarHBondContact O-CD1 3.34Å; A682-I686 VanDerWaalsContact O-CG1 3.24Å; A682-I686 WeakPolarHBondContact O-CG1 3.12Å; A682-I686 PolarHBondContact O-N 3.46Å
683	I	95	Very high	91.8	Very high	63 Å²	63	72.6 Å²	72.6	32%	0.323	38%	0.382	S	S	.	.	H	α-helix	trans	-64.4	-45.4	175.9	-65.4	164.8	0	0	0	110.5	I657 K679 T680 E681 E685 I686 E687	I657-I683 HydrophobicContact CG1-CG2 4.29Å; K679-I683 HydrophobicContact CG-CD1 4.38Å; K679-I683 WeakPolarHBondContact O-CG1 3.23Å; K679-I683 PolarHBondContact O-N 2.91Å; K679-I683 VanDerWaalsContact O-N 3.12Å; T680-I683 PolarHBondContact O-N 3.22Å; E681-I683 VanDerWaalsContact C-N 3.31Å; E681-I683 PolarHBondContact O-N 3.42Å; I683-E685 VanDerWaalsContact C-N 3.29Å; I683-E685 PolarHBondContact O-N 2.83Å; I683-I686 PolarHBondContact O-N 2.71Å; I683-E687 HydrophobicContact CG2-CG 4.34Å; I683-E687 VanDerWaalsContact O-CG 3.27Å; I683-E687 WeakPolarHBondContact O-CG 3.29Å; I683-E687 PolarHBondContact O-N 3.25Å
684	M	94.1	Very high	93	Very high	14 Å²	14	69.6 Å²	69.6	7%	0.069	37%	0.367	C	S	.	.	H	α-helix	trans	-56.3	-43.8	176.4	-74.5	166.1	176.5	0	0	112.2	V648 I657 F662 F676 T680 E681 E687 A688	V648-M684 HydrophobicContact CG1-CB 4.06Å; V648-M684 HydrophobicContact CG1-CG 4.03Å; I657-M684 HydrophobicContact CD1-CB 4.16Å; I657-M684 HydrophobicContact CD1-CE 3.98Å; I657-M684 HydrophobicContact CD1-CG 3.2Å; I657-M684 HydrophobicContact CD1-SD 4.47Å; I657-M684 HydrophobicContact CG1-CG 4.3Å; I657-M684 HydrophobicContact CG2-CE 4.42Å; F662-M684 HydrophobicContact CD2-CE 3.31Å; F662-M684 HydrophobicContact CE2-CE 3.18Å; F662-M684 HydrophobicContact CG-CE 4.26Å; F662-M684 HydrophobicContact CZ-CE 4.05Å; F676-M684 HydrophobicContact CD1-CE 4.21Å; F676-M684 HydrophobicContact CD1-SD 4.36Å; F676-M684 HydrophobicContact CD2-SD 4.49Å; F676-M684 HydrophobicContact CE1-SD 4.26Å; F676-M684 HydrophobicContact CE2-SD 4.39Å; F676-M684 HydrophobicContact CG-CE 4.44Å; F676-M684 HydrophobicContact CG-SD 4.48Å; F676-M684 HydrophobicContact CZ-SD 4.28Å; T680-M684 HydrophobicContact CG2-CE 3.63Å; T680-M684 HydrophobicContact CG2-SD 4.29Å; T680-M684 WeakPolarHBondContact O-CG 3.42Å; T680-M684 PolarHBondContact O-N 3.49Å; E681-M684 WeakPolarHBondContact O-CB 3.43Å; E681-M684 PolarHBondContact O-N 3.12Å; M684-E687 PolarHBondContact O-N 3.16Å; M684-A688 WeakPolarHBondContact O-CB 3.29Å; M684-A688 PolarHBondContact O-N 2.92Å
685	E	94.2	Very high	93.8	Very high	101 Å²	101	65 Å²	65	47%	0.472	35%	0.348	S	S	.	.	H	α-helix	trans	-68.8	-39.8	-179.9	-70.1	-171.8	154.7	0	0	112.5	E681 A682 I683 A688 N689	E681-E685 WeakPolarHBondContact O-CG 3.34Å; E681-E685 PolarHBondContact O-N 2.82Å; A682-E685 PolarHBondContact O-N 2.97Å; I683-E685 VanDerWaalsContact C-N 3.29Å; I683-E685 PolarHBondContact O-N 2.83Å; E685-A688 PolarHBondContact O-N 3.32Å; E685-N689 WeakPolarHBondContact O-CB 3.42Å; E685-N689 PolarHBondContact O-N 2.83Å
686	I	96.3	Very high	94.4	Very high	99 Å²	99	63.9 Å²	63.9	51%	0.508	34%	0.336	S	S	.	.	H	α-helix	trans	-61.4	-46.2	174.9	-68.9	164.6	0	0	0	110.4	A682 I683 N689 Q690	A682-I686 WeakPolarHBondContact O-CD1 3.34Å; A682-I686 VanDerWaalsContact O-CG1 3.24Å; A682-I686 WeakPolarHBondContact O-CG1 3.12Å; A682-I686 PolarHBondContact O-N 3.46Å; I683-I686 PolarHBondContact O-N 2.71Å; I686-N689 PolarHBondContact O-N 2.87Å; I686-Q690 WeakPolarHBondContact O-CG 3.43Å; I686-Q690 PolarHBondContact O-N 3.37Å
687	E	95.3	Very high	95	Very high	39 Å²	39	65.9 Å²	65.9	18%	0.182	35%	0.353	C	S	.	.	H	α-helix	trans	-63.5	-45.6	178.1	-70.2	-79.6	157.3	0	0	111.9	V648 S654 S656 I683 M684 N689 Q690 L691	V648-E687 HydrophobicContact CG1-CB 4.07Å; V648-E687 HydrophobicContact CG2-CB 4.02Å; S654-E687 WeakPolarHBondContact OG-CG 3.47Å; S654-E687 PolarHBondContact OG-OE2 3.41Å; S656-E687 WeakPolarHBondContact CB-OE1 3.48Å; S656-E687 VanDerWaalsContact OG-CG 3.25Å; S656-E687 WeakPolarHBondContact OG-CG 3.36Å; S656-E687 PolarHBondContact OG-OE1 3.42Å; I683-E687 HydrophobicContact CG2-CG 4.34Å; I683-E687 VanDerWaalsContact O-CG 3.27Å; I683-E687 WeakPolarHBondContact O-CG 3.29Å; I683-E687 PolarHBondContact O-N 3.25Å; M684-E687 PolarHBondContact O-N 3.16Å; E687-N689 VanDerWaalsContact C-N 3.29Å; E687-N689 PolarHBondContact O-N 2.87Å; E687-Q690 WeakPolarHBondContact O-CB 3.2Å; E687-Q690 PolarHBondContact O-N 3.45Å; E687-L691 WeakPolarHBondContact O-CG 3.48Å; E687-L691 PolarHBondContact O-N 2.95Å
688	A	95.7	Very high	95.3	Very high	2 Å²	2	66.8 Å²	66.8	2%	0.017	35%	0.346	C	S	.	.	H	α-helix	trans	-60.4	-41.5	176.4	0	0	0	0	0	111.4	A644 K645 M684 E685 L691 V692	A644-A688 HydrophobicContact CB-CB 4.09Å; K645-A688 HydrophobicContact CG-CB 4.18Å; M684-A688 WeakPolarHBondContact O-CB 3.29Å; M684-A688 PolarHBondContact O-N 2.92Å; E685-A688 PolarHBondContact O-N 3.32Å; A688-L691 PolarHBondContact O-N 3.23Å; A688-V692 WeakPolarHBondContact O-CG2 3.42Å; A688-V692 PolarHBondContact O-N 3.41Å; A688-V692 VanDerWaalsContact O-N 3.08Å
689	N	96.3	Very high	95.5	Very high	103 Å²	103	58.7 Å²	58.7	55%	0.551	31%	0.308	S	S	*	.	H	α-helix	trans	-63.4	-41.6	175.3	-173.6	19.4	0	0	0	112.1	E685 I686 E687 L691 V692 T693	E685-N689 WeakPolarHBondContact O-CB 3.42Å; E685-N689 PolarHBondContact O-N 2.83Å; I686-N689 PolarHBondContact O-N 2.87Å; E687-N689 VanDerWaalsContact C-N 3.29Å; E687-N689 PolarHBondContact O-N 2.87Å; N689-L691 PolarHBondContact O-N 2.77Å; N689-V692 PolarHBondContact O-N 3.31Å; N689-T693 VanDerWaalsContact O-CB 3.31Å; N689-T693 WeakPolarHBondContact O-CB 3.5Å; N689-T693 PolarHBondContact O-N 2.93Å; N689-T693 PolarHBondContact O-OG1 2.97Å; N689-T693 PolarHBondContact OD1-OG1 2.81Å
690	Q	96.4	Very high	95.7	Very high	111 Å²	111	51.9 Å²	51.9	52%	0.519	28%	0.28	S	S	.	.	H	α-helix	trans	-61.7	-42.3	175.8	-73.3	175	8	0	0	112	I686 E687 T693 S694	I686-Q690 WeakPolarHBondContact O-CG 3.43Å; I686-Q690 PolarHBondContact O-N 3.37Å; E687-Q690 WeakPolarHBondContact O-CB 3.2Å; E687-Q690 PolarHBondContact O-N 3.45Å; Q690-T693 PolarHBondContact O-N 3.08Å; Q690-S694 VanDerWaalsContact O-CB 3.32Å; Q690-S694 WeakPolarHBondContact O-CB 3.35Å; Q690-S694 PolarHBondContact O-N 2.98Å; Q690-S694 PolarHBondContact O-OG 3.26Å
691	L	96.5	Very high	95.9	Very high	39 Å²	39	55.9 Å²	55.9	20%	0.204	29%	0.294	C	S	.	.	H	α-helix	trans	-60.4	-49.9	176	-70.7	172.7	0	0	0	111.5	M612 A644 Q647 V648 E687 A688 N689 T693 S694 A695	M612-L691 HydrophobicContact CE-CB 4.27Å; A644-L691 HydrophobicContact CB-CB 4.27Å; A644-L691 HydrophobicContact CB-CD1 4.45Å; Q647-L691 HydrophobicContact CB-CD1 4.37Å; Q647-L691 HydrophobicContact CG-CD1 4.2Å; V648-L691 HydrophobicContact CG2-CD1 3.58Å; E687-L691 WeakPolarHBondContact O-CG 3.48Å; E687-L691 PolarHBondContact O-N 2.95Å; A688-L691 PolarHBondContact O-N 3.23Å; N689-L691 PolarHBondContact O-N 2.77Å; L691-T693 VanDerWaalsContact C-N 3.35Å; L691-T693 PolarHBondContact O-N 3.49Å; L691-S694 PolarHBondContact O-N 3.5Å; L691-S694 PolarHBondContact O-OG 2.98Å; L691-A695 WeakPolarHBondContact O-CB 3.48Å; L691-A695 PolarHBondContact O-N 3.23Å
692	V	97.1	Very high	96.1	Very high	24 Å²	24	54.9 Å²	54.9	15%	0.145	29%	0.289	C	S	.	.	H	α-helix	trans	-61.6	-43.4	178	173.9	0	0	0	0	111.2	L616 A644 A688 N689 A695 F696	L616-V692 HydrophobicContact CD1-CG1 3.97Å; L616-V692 WeakPolarHBondContact CD1-O 3.13Å; L616-V692 HydrophobicContact CD2-CG1 4.45Å; A644-V692 HydrophobicContact CB-CG2 3.72Å; A688-V692 WeakPolarHBondContact O-CG2 3.42Å; A688-V692 PolarHBondContact O-N 3.41Å; A688-V692 VanDerWaalsContact O-N 3.08Å; N689-V692 PolarHBondContact O-N 3.31Å; V692-A695 PolarHBondContact O-N 3.29Å; V692-F696 WeakPolarHBondContact O-CB 3.26Å; V692-F696 PolarHBondContact O-N 2.6Å
693	T	97.2	Very high	96.2	Very high	70 Å²	70	52.7 Å²	52.7	43%	0.429	27%	0.271	S	S	.	.	H	α-helix	trans	-62.9	-44.5	177.9	-58.8	0	0	0	0	111.1	N689 Q690 L691 A695 F696 S697	N689-T693 VanDerWaalsContact O-CB 3.31Å; N689-T693 WeakPolarHBondContact O-CB 3.5Å; N689-T693 PolarHBondContact O-N 2.93Å; N689-T693 PolarHBondContact O-OG1 2.97Å; N689-T693 PolarHBondContact OD1-OG1 2.81Å; Q690-T693 PolarHBondContact O-N 3.08Å; L691-T693 VanDerWaalsContact C-N 3.35Å; L691-T693 PolarHBondContact O-N 3.49Å; T693-A695 VanDerWaalsContact C-N 3.34Å; T693-A695 PolarHBondContact O-N 3.44Å; T693-F696 PolarHBondContact O-N 3.2Å; T693-S697 PolarHBondContact O-N 2.98Å; T693-S697 PolarHBondContact O-OG 3.47Å
694	S	96.5	Very high	96.2	Very high	67 Å²	67	55 Å²	55	47%	0.469	28%	0.281	S	S	.	.	H	α-helix	trans	-62.9	-41	178.2	74.2	0	0	0	0	112.1	Q690 L691 S697 R698	Q690-S694 VanDerWaalsContact O-CB 3.32Å; Q690-S694 WeakPolarHBondContact O-CB 3.35Å; Q690-S694 PolarHBondContact O-N 2.98Å; Q690-S694 PolarHBondContact O-OG 3.26Å; L691-S694 PolarHBondContact O-N 3.5Å; L691-S694 PolarHBondContact O-OG 2.98Å; S694-S697 PolarHBondContact O-N 3.49Å; S694-R698 VanDerWaalsContact O-CB 3.29Å; S694-R698 WeakPolarHBondContact O-CB 2.99Å; S694-R698 PolarHBondContact O-N 3.16Å
695	A	96.5	Very high	96.3	Very high	3 Å²	3	60.5 Å²	60.5	3%	0.025	31%	0.306	C	S	.	.	H	α-helix	trans	-65.7	-41.2	175.4	0	0	0	0	0	111.5	M612 L616 L691 V692 T693 R698 S699	M612-A695 HydrophobicContact CB-CB 3.72Å; L616-A695 HydrophobicContact CD1-CB 3.84Å; L691-A695 WeakPolarHBondContact O-CB 3.48Å; L691-A695 PolarHBondContact O-N 3.23Å; V692-A695 PolarHBondContact O-N 3.29Å; T693-A695 VanDerWaalsContact C-N 3.34Å; T693-A695 PolarHBondContact O-N 3.44Å; A695-R698 PolarHBondContact O-N 3.24Å; A695-S699 PolarHBondContact O-N 2.91Å; A695-S699 PolarHBondContact O-OG 2.93Å
696	F	97.2	Very high	96.3	Very high	43 Å²	43	57.6 Å²	57.6	19%	0.189	29%	0.294	C	S	.	.	H	α-helix	trans	-60.8	-51.5	174.5	-180	-103.2	0	0	0	111.8	L616 R619 A620 H623 V692 T693 R698 S699 V700	L616-F696 HydrophobicContact CB-CD2 4.44Å; L616-F696 HydrophobicContact CD1-CB 4.06Å; R619-F696 HydrophobicContact CB-CE2 4.2Å; R619-F696 HydrophobicContact CG-CE2 3.94Å; A620-F696 HydrophobicContact CB-CD2 4.37Å; A620-F696 HydrophobicContact CB-CE2 4.07Å; H623-F696 HydrophobicContact CB-CZ 4.24Å; V692-F696 WeakPolarHBondContact O-CB 3.26Å; V692-F696 PolarHBondContact O-N 2.6Å; T693-F696 PolarHBondContact O-N 3.2Å; F696-R698 VanDerWaalsContact C-N 3.27Å; F696-R698 PolarHBondContact O-N 3.32Å; F696-S699 PolarHBondContact O-N 3.03Å; F696-S699 VanDerWaalsContact O-N 3.13Å; F696-V700 HydrophobicContact CD1-CG2 4.21Å; F696-V700 HydrophobicContact CE1-CG2 3.78Å; F696-V700 HydrophobicContact CE2-CG2 4.2Å; F696-V700 HydrophobicContact CZ-CG2 3.77Å; F696-V700 WeakPolarHBondContact O-CG2 3.17Å; F696-V700 PolarHBondContact O-N 3.37Å
697	S	97.3	Very high	96.2	Very high	69 Å²	69	57.6 Å²	57.6	48%	0.483	29%	0.29	S	S	.	.	H	α-helix	trans	-60.2	-38.1	178.3	-61.1	0	0	0	0	112.2	T693 S694 V700 K701	T693-S697 PolarHBondContact O-N 2.98Å; T693-S697 PolarHBondContact O-OG 3.47Å; S694-S697 PolarHBondContact O-N 3.49Å; S697-V700 PolarHBondContact O-N 3.15Å; S697-K701 PolarHBondContact O-N 2.7Å
698	R	96.2	Very high	96.2	Very high	94 Å²	94	62.1 Å²	62.1	36%	0.355	32%	0.316	S	S	.	.	H	α-helix	trans	-62.1	-46.7	174.4	-168.8	-170.4	169.2	-175.7	-6.7	111.1	D610 S694 A695 F696 K701 M702	D610-R698 IonicContact OD1-CZ 2.71Å; D610-R698 IonicContact OD1-NH1 3.95Å; D610-R698 PolarHBondContact OD1-NH1 3.01Å; D610-R698 IonicContact OD1-NH2 3.67Å; D610-R698 PolarHBondContact OD1-NH2 2.87Å; S694-R698 VanDerWaalsContact O-CB 3.29Å; S694-R698 WeakPolarHBondContact O-CB 2.99Å; S694-R698 PolarHBondContact O-N 3.16Å; A695-R698 PolarHBondContact O-N 3.24Å; F696-R698 VanDerWaalsContact C-N 3.27Å; F696-R698 PolarHBondContact O-N 3.32Å; R698-K701 PolarHBondContact O-N 3.13Å; R698-M702 HydrophobicContact CB-CE 4.47Å; R698-M702 HydrophobicContact CG-CE 3.75Å; R698-M702 WeakPolarHBondContact O-CG 3.34Å; R698-M702 PolarHBondContact O-N 3.02Å
699	S	96.5	Very high	96.1	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.2	-42.1	177.4	-63.9	0	0	0	0	112.5	S613 A695 F696 M702 L703	S613-S699 VanDerWaalsContact C-OG 3.31Å; S613-S699 VanDerWaalsContact CA-OG 3.26Å; S613-S699 WeakPolarHBondContact CA-OG 3.46Å; S613-S699 WeakPolarHBondContact CB-OG 3.47Å; S613-S699 PolarHBondContact O-OG 2.97Å; A695-S699 PolarHBondContact O-N 2.91Å; A695-S699 PolarHBondContact O-OG 2.93Å; F696-S699 PolarHBondContact O-N 3.03Å; F696-S699 VanDerWaalsContact O-N 3.13Å; S699-M702 PolarHBondContact O-N 2.95Å; S699-L703 WeakPolarHBondContact O-CB 3.35Å; S699-L703 VanDerWaalsContact O-CG 3.26Å; S699-L703 WeakPolarHBondContact O-CG 3.44Å; S699-L703 PolarHBondContact O-N 3.19Å
700	V	97.2	Very high	96.1	Very high	15 Å²	15	59.9 Å²	59.9	9%	0.091	30%	0.303	C	S	.	.	H	α-helix	trans	-58.4	-50.4	175.3	171.5	0	0	0	0	110.3	A620 V624 F696 S697 M702 L703 E704	A620-V700 HydrophobicContact CB-CG2 3.7Å; V624-V700 HydrophobicContact CG2-CG1 4.07Å; F696-V700 HydrophobicContact CD1-CG2 4.21Å; F696-V700 HydrophobicContact CE1-CG2 3.78Å; F696-V700 HydrophobicContact CE2-CG2 4.2Å; F696-V700 HydrophobicContact CZ-CG2 3.77Å; F696-V700 WeakPolarHBondContact O-CG2 3.17Å; F696-V700 PolarHBondContact O-N 3.37Å; S697-V700 PolarHBondContact O-N 3.15Å; V700-M702 PolarHBondContact O-N 3.35Å; V700-L703 PolarHBondContact O-N 3.32Å; V700-L703 VanDerWaalsContact O-N 3.15Å; V700-E704 HydrophobicContact CG1-CG 4.25Å; V700-E704 WeakPolarHBondContact O-CG 3.5Å; V700-E704 PolarHBondContact O-N 3.16Å
701	K	97	Very high	96	Very high	125 Å²	125	57.9 Å²	57.9	54%	0.543	30%	0.296	S	S	.	.	H	α-helix	trans	-57.8	-45.7	178.5	-176.1	178.1	173.9	-179.9	0	112.5	S697 R698 L703 E704 E705	S697-K701 PolarHBondContact O-N 2.7Å; R698-K701 PolarHBondContact O-N 3.13Å; K701-L703 VanDerWaalsContact C-N 3.3Å; K701-L703 PolarHBondContact O-N 2.73Å; K701-E704 PolarHBondContact O-N 2.87Å; K701-E705 WeakPolarHBondContact CE-OE1 3.34Å; K701-E705 IonicContact NZ-OE1 3.25Å; K701-E705 WeakPolarHBondContact O-CB 3.5Å; K701-E705 WeakPolarHBondContact O-CG 3.47Å; K701-E705 PolarHBondContact O-N 3.35Å
702	M	95	Very high	96	Very high	25 Å²	25	58 Å²	58	12%	0.123	30%	0.303	C	S	.	.	H	α-helix	trans	-62.2	-36.9	178.5	-73.2	-174.7	-71.4	0	0	112.6	V560 L563 L564 R698 S699 V700 N706	V560-M702 HydrophobicContact CG1-CE 4.03Å; L563-M702 HydrophobicContact CD1-CB 4.29Å; L564-M702 HydrophobicContact CD1-CE 4.28Å; L564-M702 HydrophobicContact CD2-CE 4.15Å; L564-M702 HydrophobicContact CD2-SD 3.81Å; L564-M702 HydrophobicContact CG-CE 4.36Å; L564-M702 HydrophobicContact CG-SD 4.26Å; R698-M702 HydrophobicContact CB-CE 4.47Å; R698-M702 HydrophobicContact CG-CE 3.75Å; R698-M702 WeakPolarHBondContact O-CG 3.34Å; R698-M702 PolarHBondContact O-N 3.02Å; S699-M702 PolarHBondContact O-N 2.95Å; V700-M702 PolarHBondContact O-N 3.35Å; M702-N706 WeakPolarHBondContact O-CB 3.32Å; M702-N706 PolarHBondContact O-N 2.94Å; M702-N706 PolarHBondContact O-ND2 2.95Å
703	L	96.4	Very high	95.8	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-76.6	-34.5	178.6	-69.5	173.9	0	0	0	112.7	L559 V560 G617 A620 A621 V624 S699 V700 K701 N706 K707 L710	L559-L703 HydrophobicContact CB-CD2 4.12Å; L559-L703 HydrophobicContact CD2-CD2 3.72Å; L559-L703 HydrophobicContact CG-CD2 4.08Å; V560-L703 HydrophobicContact CG2-CD1 4.17Å; V560-L703 HydrophobicContact CG2-CD2 3.9Å; V560-L703 HydrophobicContact CG2-CG 3.9Å; G617-L703 WeakPolarHBondContact O-CD1 3.5Å; A620-L703 HydrophobicContact CB-CD1 3.69Å; A621-L703 HydrophobicContact CB-CD1 3.88Å; V624-L703 HydrophobicContact CG2-CB 4.23Å; S699-L703 WeakPolarHBondContact O-CB 3.35Å; S699-L703 VanDerWaalsContact O-CG 3.26Å; S699-L703 WeakPolarHBondContact O-CG 3.44Å; S699-L703 PolarHBondContact O-N 3.19Å; V700-L703 PolarHBondContact O-N 3.32Å; V700-L703 VanDerWaalsContact O-N 3.15Å; K701-L703 VanDerWaalsContact C-N 3.3Å; K701-L703 PolarHBondContact O-N 2.73Å; L703-N706 CarbonylContact O-C 3.57Å; L703-N706 VanDerWaalsContact O-C 3.3Å; L703-N706 PolarHBondContact O-N 2.81Å; L703-K707 WeakPolarHBondContact O-CA 3.42Å; L703-K707 PolarHBondContact O-N 3.42Å; L703-L710 HydrophobicContact CB-CD2 4.49Å; L703-L710 HydrophobicContact CD2-CD1 4.31Å; L703-L710 HydrophobicContact CD2-CD2 4.35Å
704	E	96.1	Very high	95.8	Very high	113 Å²	113	53.7 Å²	53.7	53%	0.528	28%	0.276	S	S	.	.	H	α-helix	trans	-65.8	-43.7	173.6	-74	176.9	168	0	0	111.7	V624 V700 K701 N706 K707	V624-E704 HydrophobicContact CG1-CG 4.29Å; V624-E704 HydrophobicContact CG2-CG 3.84Å; V700-E704 HydrophobicContact CG1-CG 4.25Å; V700-E704 WeakPolarHBondContact O-CG 3.5Å; V700-E704 PolarHBondContact O-N 3.16Å; K701-E704 PolarHBondContact O-N 2.87Å; E704-N706 PolarHBondContact O-N 3.24Å; E704-K707 PolarHBondContact O-N 3.23Å
705	E	95.5	Very high	95.7	Very high	128 Å²	128	55.6 Å²	55.6	60%	0.598	28%	0.281	S	S	*	.	H	α-helix	trans	-63.7	-26.7	175.7	-72.1	172.5	-179.6	0	0	112.5	K701	K701-E705 WeakPolarHBondContact CE-OE1 3.34Å; K701-E705 IonicContact NZ-OE1 3.25Å; K701-E705 WeakPolarHBondContact O-CB 3.5Å; K701-E705 WeakPolarHBondContact O-CG 3.47Å; K701-E705 PolarHBondContact O-N 3.35Å
706	N	93.8	Very high	95.7	Very high	41 Å²	41	56.2 Å²	56.2	22%	0.219	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	32.8	-178.1	-65.9	-82.8	0	0	0	112.6	L559 L563 M702 L703 E704 D708 N709 L710	L559-N706 HydrophobicContact CD2-CB 4.25Å; L563-N706 HydrophobicContact CD1-CB 4.17Å; L563-N706 WeakPolarHBondContact CD1-ND2 3.42Å; M702-N706 WeakPolarHBondContact O-CB 3.32Å; M702-N706 PolarHBondContact O-N 2.94Å; M702-N706 PolarHBondContact O-ND2 2.95Å; L703-N706 CarbonylContact O-C 3.57Å; L703-N706 VanDerWaalsContact O-C 3.3Å; L703-N706 PolarHBondContact O-N 2.81Å; E704-N706 PolarHBondContact O-N 3.24Å; N706-D708 VanDerWaalsContact C-N 3.28Å; N706-D708 PolarHBondContact O-N 2.96Å; N706-N709 HydrophobicContact CB-CB 4.48Å; N706-N709 WeakPolarHBondContact O-CB 3.46Å; N706-N709 PolarHBondContact O-N 3.45Å; N706-N709 VanDerWaalsContact O-N 3.16Å; N706-L710 PolarHBondContact O-N 2.69Å; N706-L710 VanDerWaalsContact O-N 3.08Å
707	K	94.3	Very high	95.5	Very high	99 Å²	99	54.2 Å²	54.2	43%	0.43	28%	0.277	S	S	.	.	H	α-helix	trans	-58.6	-37.7	-173.3	-171.7	173.6	-177.9	172.2	0	113.3	L703 E704 N709 L710 L711	L703-K707 WeakPolarHBondContact O-CA 3.42Å; L703-K707 PolarHBondContact O-N 3.42Å; E704-K707 PolarHBondContact O-N 3.23Å; K707-N709 PolarHBondContact O-N 3.25Å; K707-L710 WeakPolarHBondContact O-CB 3.07Å; K707-L710 PolarHBondContact O-N 3.45Å; K707-L711 HydrophobicContact CG-CD1 4.39Å; K707-L711 WeakPolarHBondContact O-CG 3.28Å; K707-L711 PolarHBondContact O-N 3.05Å
708	D	94.7	Very high	95.3	Very high	133 Å²	133	53.6 Å²	53.6	71%	0.711	27%	0.271	S	S	*	.	H	α-helix	trans	-64.1	-42.3	179.5	-61.8	-27.7	0	0	0	111.7	N706 L710 L711 A712	N706-D708 VanDerWaalsContact C-N 3.28Å; N706-D708 PolarHBondContact O-N 2.96Å; D708-L710 VanDerWaalsContact C-N 3.33Å; D708-L710 PolarHBondContact O-N 3.4Å; D708-L711 PolarHBondContact O-N 3.41Å; D708-A712 WeakPolarHBondContact O-CB 3.23Å; D708-A712 PolarHBondContact O-N 3.24Å
709	N	94.1	Very high	95.2	Very high	58 Å²	58	57.6 Å²	57.6	31%	0.31	29%	0.291	S	S	.	.	H	α-helix	trans	-65.2	-38	175.4	-68.5	-24.7	0	0	0	111.5	L559 N706 K707 L713 L732	L559-N709 HydrophobicContact CD1-CB 4.25Å; L559-N709 HydrophobicContact CD2-CB 4.36Å; N706-N709 HydrophobicContact CB-CB 4.48Å; N706-N709 WeakPolarHBondContact O-CB 3.46Å; N706-N709 PolarHBondContact O-N 3.45Å; N706-N709 VanDerWaalsContact O-N 3.16Å; K707-N709 PolarHBondContact O-N 3.25Å; N709-L713 WeakPolarHBondContact O-CB 3.36Å; N709-L713 WeakPolarHBondContact O-CG 3.34Å; N709-L713 PolarHBondContact O-N 3.22Å; N709-L732 HydrophobicContact CB-CD2 3.83Å
710	L	95.6	Very high	95	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62	-48.6	175.7	179.8	61.7	0	0	0	111.1	L559 A621 V624 V625 L703 N706 K707 D708 L713 I714	L559-L710 HydrophobicContact CD2-CB 3.7Å; L559-L710 HydrophobicContact CD2-CD1 4.24Å; A621-L710 HydrophobicContact CB-CD1 4.23Å; A621-L710 HydrophobicContact CB-CD2 4.16Å; V624-L710 HydrophobicContact CG1-CD2 4.48Å; V625-L710 HydrophobicContact CG2-CD2 4.05Å; L703-L710 HydrophobicContact CB-CD2 4.49Å; L703-L710 HydrophobicContact CD2-CD1 4.31Å; L703-L710 HydrophobicContact CD2-CD2 4.35Å; N706-L710 PolarHBondContact O-N 2.69Å; N706-L710 VanDerWaalsContact O-N 3.08Å; K707-L710 WeakPolarHBondContact O-CB 3.07Å; K707-L710 PolarHBondContact O-N 3.45Å; D708-L710 VanDerWaalsContact C-N 3.33Å; D708-L710 PolarHBondContact O-N 3.4Å; L710-L713 PolarHBondContact O-N 2.86Å; L710-I714 HydrophobicContact CD1-CD1 4.1Å; L710-I714 HydrophobicContact CD1-CG1 4.44Å; L710-I714 HydrophobicContact CG-CD1 3.84Å; L710-I714 WeakPolarHBondContact O-CD1 3.41Å; L710-I714 VanDerWaalsContact O-CG1 3.23Å; L710-I714 WeakPolarHBondContact O-CG1 3.34Å; L710-I714 PolarHBondContact O-N 3.5Å
711	L	96	Very high	94.6	Very high	70 Å²	70	65.2 Å²	65.2	37%	0.366	33%	0.328	S	S	.	.	H	α-helix	trans	-62.7	-43.7	178.7	-68.1	174.3	0	0	0	111.7	K707 D708 L713 I714 D715	K707-L711 HydrophobicContact CG-CD1 4.39Å; K707-L711 WeakPolarHBondContact O-CG 3.28Å; K707-L711 PolarHBondContact O-N 3.05Å; D708-L711 PolarHBondContact O-N 3.41Å; L711-L713 VanDerWaalsContact C-N 3.31Å; L711-L713 PolarHBondContact O-N 2.86Å; L711-I714 HydrophobicContact CD2-CD1 4.46Å; L711-I714 PolarHBondContact O-N 3.36Å; L711-D715 PolarHBondContact O-N 2.99Å
712	A	95	Very high	94.3	Very high	42 Å²	42	61 Å²	61	35%	0.347	31%	0.313	S	S	.	.	H	α-helix	trans	-60.5	-39.9	176.3	0	0	0	0	0	112.6	D708 A716	D708-A712 WeakPolarHBondContact O-CB 3.23Å; D708-A712 PolarHBondContact O-N 3.24Å; A712-A716 VanDerWaalsContact O-CB 3.28Å; A712-A716 WeakPolarHBondContact O-CB 3.14Å; A712-A716 PolarHBondContact O-N 3.5Å
713	L	94.8	Very high	94.1	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-65.9	-41.7	174.5	-77	174.7	0	0	0	112.4	L559 N709 L710 L711 A716 L717 L723 L728 L731 L732	L559-L713 HydrophobicContact CB-CD1 3.93Å; L559-L713 HydrophobicContact CD1-CD1 4.19Å; L559-L713 HydrophobicContact CG-CD1 4.45Å; N709-L713 WeakPolarHBondContact O-CB 3.36Å; N709-L713 WeakPolarHBondContact O-CG 3.34Å; N709-L713 PolarHBondContact O-N 3.22Å; L710-L713 PolarHBondContact O-N 2.86Å; L711-L713 VanDerWaalsContact C-N 3.31Å; L711-L713 PolarHBondContact O-N 2.86Å; L713-A716 PolarHBondContact O-N 2.86Å; L713-L717 WeakPolarHBondContact O-CB 3.49Å; L713-L717 PolarHBondContact O-N 2.94Å; L713-L723 HydrophobicContact CD2-CD1 4.31Å; L713-L728 HydrophobicContact CD2-CD2 3.52Å; L713-L731 HydrophobicContact CD2-CB 4.45Å; L713-L731 HydrophobicContact CD2-CD1 4.03Å; L713-L732 HydrophobicContact CD1-CD1 4.11Å; L713-L732 HydrophobicContact CD1-CD2 3.91Å; L713-L732 HydrophobicContact CD1-CG 4.43Å; L713-L732 HydrophobicContact CD2-CD1 4.3Å; L713-L732 HydrophobicContact CD2-CD2 4.27Å; L713-L732 HydrophobicContact CD2-CG 4.25Å; L713-L732 HydrophobicContact CG-CD2 3.99Å; L713-L732 HydrophobicContact CG-CG 4.5Å
714	I	95.6	Very high	93.8	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-61.8	-49.8	178.5	-68.4	159.8	0	0	0	109.6	A551 V552 S555 V625 L710 L711 A716 L717 V718	A551-I714 HydrophobicContact CB-CG2 4.31Å; V552-I714 HydrophobicContact CB-CD1 4.39Å; V552-I714 HydrophobicContact CG2-CD1 3.8Å; V552-I714 HydrophobicContact CG2-CG1 4.2Å; V552-I714 HydrophobicContact CG2-CG2 4.22Å; S555-I714 PolarHBondContact OG-N 3.27Å; V625-I714 HydrophobicContact CG2-CD1 4.06Å; L710-I714 HydrophobicContact CD1-CD1 4.1Å; L710-I714 HydrophobicContact CD1-CG1 4.44Å; L710-I714 HydrophobicContact CG-CD1 3.84Å; L710-I714 WeakPolarHBondContact O-CD1 3.41Å; L710-I714 VanDerWaalsContact O-CG1 3.23Å; L710-I714 WeakPolarHBondContact O-CG1 3.34Å; L710-I714 PolarHBondContact O-N 3.5Å; L711-I714 HydrophobicContact CD2-CD1 4.46Å; L711-I714 PolarHBondContact O-N 3.36Å; I714-A716 VanDerWaalsContact C-N 3.31Å; I714-A716 PolarHBondContact O-N 3.47Å; I714-L717 PolarHBondContact O-N 3.17Å; I714-V718 HydrophobicContact CG2-CG2 4.29Å; I714-V718 VanDerWaalsContact O-CG2 3.28Å; I714-V718 WeakPolarHBondContact O-CG2 3.46Å; I714-V718 PolarHBondContact O-N 2.87Å
715	D	95.7	Very high	93.3	Very high	107 Å²	107	59.6 Å²	59.6	57%	0.572	31%	0.308	S	S	*	.	H	α-helix	trans	-60.7	-42	179.6	-72.2	-21.2	0	0	0	111.7	L711 V718 K719	L711-D715 PolarHBondContact O-N 2.99Å; D715-V718 PolarHBondContact O-N 3.48Å; D715-K719 WeakPolarHBondContact O-CB 3.23Å; D715-K719 PolarHBondContact O-N 2.98Å; D715-K719 VanDerWaalsContact O-N 3.08Å
716	A	94.9	Very high	92.9	Very high	16 Å²	16	57.6 Å²	57.6	13%	0.132	30%	0.301	C	S	.	.	H	α-helix	trans	-64.9	-40.6	176.5	0	0	0	0	0	112.3	A712 L713 I714 K719 N720 L723 L731	A712-A716 VanDerWaalsContact O-CB 3.28Å; A712-A716 WeakPolarHBondContact O-CB 3.14Å; A712-A716 PolarHBondContact O-N 3.5Å; L713-A716 PolarHBondContact O-N 2.86Å; I714-A716 VanDerWaalsContact C-N 3.31Å; I714-A716 PolarHBondContact O-N 3.47Å; A716-K719 PolarHBondContact O-N 3.25Å; A716-N720 WeakPolarHBondContact O-CB 3.31Å; A716-N720 PolarHBondContact O-N 3.38Å; A716-L723 HydrophobicContact CB-CD1 3.84Å; A716-L723 HydrophobicContact CB-CD2 4.1Å; A716-L731 HydrophobicContact CB-CD1 3.63Å
717	L	93.8	Very high	92.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-68.4	-41	176.2	-82.9	175.7	0	0	0	112.6	A551 S555 I574 I576 L713 I714 K719 E721 L723	A551-L717 HydrophobicContact CB-CB 4.15Å; S555-L717 WeakPolarHBondContact OG-CD1 3.42Å; I574-L717 HydrophobicContact CB-CD1 4.4Å; I574-L717 HydrophobicContact CB-CD2 3.88Å; I574-L717 HydrophobicContact CD1-CD1 4.5Å; I574-L717 HydrophobicContact CG2-CD1 3.57Å; I574-L717 HydrophobicContact CG2-CD2 3.71Å; I574-L717 HydrophobicContact CG2-CG 4.29Å; I576-L717 WeakPolarHBondContact CD1-O 3.41Å; L713-L717 WeakPolarHBondContact O-CB 3.49Å; L713-L717 PolarHBondContact O-N 2.94Å; I714-L717 PolarHBondContact O-N 3.17Å; L717-K719 PolarHBondContact O-N 3.38Å; L717-E721 WeakPolarHBondContact O-CA 3.46Å; L717-E721 PolarHBondContact O-N 3.18Å; L717-L723 HydrophobicContact CD2-CB 4.07Å; L717-L723 HydrophobicContact CD2-CD1 3.75Å; L717-L723 HydrophobicContact CD2-CG 3.6Å; L717-L723 HydrophobicContact CG-CD1 3.63Å; L717-L723 HydrophobicContact CG-CG 4.04Å
718	V	93.5	Very high	92.5	Very high	57 Å²	57	53.2 Å²	53.2	35%	0.345	28%	0.282	S	S	.	.	H	α-helix	trans	-64	-34.2	178.1	172.3	0	0	0	0	110.6	A551 I714 D715	A551-V718 HydrophobicContact CB-CG2 3.7Å; I714-V718 HydrophobicContact CG2-CG2 4.29Å; I714-V718 VanDerWaalsContact O-CG2 3.28Å; I714-V718 WeakPolarHBondContact O-CG2 3.46Å; I714-V718 PolarHBondContact O-N 2.87Å; D715-V718 PolarHBondContact O-N 3.48Å
719	K	94	Very high	92.3	Very high	177 Å²	177	51 Å²	51	77%	0.77	27%	0.266	S	S	*	.	H	α-helix	trans	-76.8	-46.4	178.5	-174.3	179.2	177.4	-179.3	0	113.6	D715 A716 L717	D715-K719 WeakPolarHBondContact O-CB 3.23Å; D715-K719 PolarHBondContact O-N 2.98Å; D715-K719 VanDerWaalsContact O-N 3.08Å; A716-K719 PolarHBondContact O-N 3.25Å; L717-K719 PolarHBondContact O-N 3.38Å
720	N	91.9	Very high	92.2	Very high	88 Å²	88	56.1 Å²	56.1	47%	0.471	29%	0.286	S	S	.	.	H	α-helix	trans	-98.8	-12.8	-171.2	-63.9	-20.3	0	0	0	113.5	A716 V722 L723	A716-N720 WeakPolarHBondContact O-CB 3.31Å; A716-N720 PolarHBondContact O-N 3.38Å; N720-V722 WeakPolarHBondContact CB-O 3.12Å; N720-V722 PolarHBondContact O-N 2.91Å; N720-L723 HydrophobicContact CB-CD2 4.19Å
721	E	89.3	Confident	91.9	Very high	87 Å²	87	59.4 Å²	59.4	41%	0.407	30%	0.303	S	S	.	.	S	Bend	trans	60	-22.6	-171.2	-56	-173.3	145.5	0	0	115.8	S575 I576 I577 L717	S575-E721 WeakPolarHBondContact CA-O 3.17Å; I576-E721 HydrophobicContact CG1-CB 4.14Å; I576-E721 WeakPolarHBondContact CG1-O 3.35Å; I576-E721 PolarHBondContact N-O 3.25Å; I577-E721 HydrophobicContact CD1-CB 4.39Å; I577-E721 HydrophobicContact CG1-CB 4.14Å; L717-E721 WeakPolarHBondContact O-CA 3.46Å; L717-E721 PolarHBondContact O-N 3.18Å
722	V	90.3	Very high	91.5	Very high	36 Å²	36	57.5 Å²	57.5	22%	0.218	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	132.8	-178.7	-176.8	0	0	0	0	108.7	K573 I574 I577 N720	K573-V722 HydrophobicContact CD-CG1 4.25Å; K573-V722 HydrophobicContact CG-CG1 4.09Å; I574-V722 CarbonylContact O-C 3.53Å; I574-V722 VanDerWaalsContact O-CA 3.26Å; I574-V722 WeakPolarHBondContact O-CA 3.18Å; I577-V722 HydrophobicContact CD1-CG2 3.64Å; I577-V722 HydrophobicContact CG1-CG2 4.38Å; N720-V722 WeakPolarHBondContact CB-O 3.12Å; N720-V722 PolarHBondContact O-N 2.91Å
723	L	91.5	Very high	91	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.6	170.2	-64.9	178.2	0	0	0	109.6	K573 I574 L713 A716 L717 N720 D727 L728 L731	K573-L723 WeakPolarHBondContact CA-O 3.25Å; I574-L723 PolarHBondContact N-O 3.13Å; I574-L723 PolarHBondContact O-N 3.34Å; L713-L723 HydrophobicContact CD2-CD1 4.31Å; A716-L723 HydrophobicContact CB-CD1 3.84Å; A716-L723 HydrophobicContact CB-CD2 4.1Å; L717-L723 HydrophobicContact CD2-CB 4.07Å; L717-L723 HydrophobicContact CD2-CD1 3.75Å; L717-L723 HydrophobicContact CD2-CG 3.6Å; L717-L723 HydrophobicContact CG-CD1 3.63Å; L717-L723 HydrophobicContact CG-CG 4.04Å; N720-L723 HydrophobicContact CB-CD2 4.19Å; L723-D727 HydrophobicContact CB-CB 4.34Å; L723-D727 HydrophobicContact CD2-CB 4.05Å; L723-L728 HydrophobicContact CB-CD2 4.29Å; L723-L728 HydrophobicContact CD1-CD2 4.28Å; L723-L731 HydrophobicContact CD1-CD1 4.08Å
724	S	88.8	Confident	89.8	Confident	38 Å²	38	62.9 Å²	62.9	27%	0.266	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	168.8	176	-54.7	0	0	0	0	111.1	V572 D726 D727 L728	V572-S724 CarbonylContact O-C 3.57Å; S724-D726 PolarHBondContact O-N 3.43Å; S724-D727 PolarHBondContact N-OD2 3.38Å; S724-D727 WeakPolarHBondContact O-CA 3.42Å; S724-D727 WeakPolarHBondContact O-CB 3.45Å; S724-D727 PolarHBondContact O-N 3.05Å; S724-L728 PolarHBondContact O-N 2.8Å
725	Y	86.5	Confident	88.3	Confident	71 Å²	71	64.2 Å²	64.2	28%	0.278	33%	0.331	S	S	.	.	H	α-helix	trans	-52	-41.4	178	178.2	-99.6	0	0	0	112.9	W562 L570 V572 D727 L728 K729	W562-Y725 AromaticContact CH2-CE2 3.93Å; W562-Y725 HydrophobicContact CH2-CE2 3.93Å; W562-Y725 HydrophobicContact CZ3-CD2 4.09Å; W562-Y725 AromaticContact CZ3-CE2 3.62Å; W562-Y725 HydrophobicContact CZ3-CE2 3.62Å; L570-Y725 HydrophobicContact CD1-CD2 4.14Å; L570-Y725 HydrophobicContact CD1-CE2 3.56Å; L570-Y725 HydrophobicContact CD2-CD2 3.98Å; L570-Y725 HydrophobicContact CD2-CE2 3.64Å; L570-Y725 HydrophobicContact CG-CD2 4.25Å; L570-Y725 HydrophobicContact CG-CE2 4Å; V572-Y725 WeakPolarHBondContact O-CA 3.21Å; V572-Y725 PolarHBondContact O-N 3.37Å; Y725-D727 VanDerWaalsContact C-N 3.29Å; Y725-D727 PolarHBondContact O-N 2.95Å; Y725-L728 PolarHBondContact O-N 3.44Å; Y725-K729 HydrophobicContact CE1-CD 4.43Å; Y725-K729 WeakPolarHBondContact O-CB 3.45Å; Y725-K729 PolarHBondContact O-N 2.78Å
726	D	87.2	Confident	86.4	Confident	86 Å²	86	67.6 Å²	67.6	46%	0.46	34%	0.344	S	S	.	.	H	α-helix	trans	-66.4	-31.5	178.9	-63.9	-36.2	0	0	0	112.5	S724 K730	S724-D726 PolarHBondContact O-N 3.43Å; D726-K730 VanDerWaalsContact O-CG 3.23Å; D726-K730 WeakPolarHBondContact O-CG 3.28Å; D726-K730 PolarHBondContact O-N 3.23Å
727	D	90.8	Very high	84.6	Confident	47 Å²	47	70.6 Å²	70.6	25%	0.251	35%	0.351	S	S	.	.	H	α-helix	trans	-73.2	-41	175.6	-54.4	-44.3	0	0	0	110.6	L723 S724 Y725 K729 K730 L731	L723-D727 HydrophobicContact CB-CB 4.34Å; L723-D727 HydrophobicContact CD2-CB 4.05Å; S724-D727 PolarHBondContact N-OD2 3.38Å; S724-D727 WeakPolarHBondContact O-CA 3.42Å; S724-D727 WeakPolarHBondContact O-CB 3.45Å; S724-D727 PolarHBondContact O-N 3.05Å; Y725-D727 VanDerWaalsContact C-N 3.29Å; Y725-D727 PolarHBondContact O-N 2.95Å; D727-K729 VanDerWaalsContact C-N 3.33Å; D727-K729 PolarHBondContact O-N 3.16Å; D727-K730 PolarHBondContact O-N 2.99Å; D727-L731 WeakPolarHBondContact O-CB 3.42Å; D727-L731 VanDerWaalsContact O-CG 3.28Å; D727-L731 WeakPolarHBondContact O-CG 3.47Å; D727-L731 PolarHBondContact O-N 3.3Å
728	L	89.4	Confident	82.4	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.005	37%	0.368	C	S	.	.	H	α-helix	trans	-61	-43.4	173.2	-62.2	178.5	0	0	0	111.4	W562 P571 I574 L713 L723 S724 Y725 K730 L731 L732	W562-L728 HydrophobicContact CZ3-CB 4.27Å; P571-L728 HydrophobicContact CB-CD1 4.1Å; P571-L728 HydrophobicContact CG-CD1 4.18Å; I574-L728 HydrophobicContact CD1-CD1 4.07Å; I574-L728 HydrophobicContact CD1-CD2 3.57Å; I574-L728 HydrophobicContact CD1-CG 4.4Å; I574-L728 HydrophobicContact CG1-CD1 4.28Å; I574-L728 HydrophobicContact CG1-CD2 4.49Å; L713-L728 HydrophobicContact CD2-CD2 3.52Å; L723-L728 HydrophobicContact CB-CD2 4.29Å; L723-L728 HydrophobicContact CD1-CD2 4.28Å; S724-L728 PolarHBondContact O-N 2.8Å; Y725-L728 PolarHBondContact O-N 3.44Å; L728-K730 VanDerWaalsContact C-N 3.33Å; L728-K730 PolarHBondContact O-N 2.87Å; L728-L731 PolarHBondContact O-N 3.11Å; L728-L732 VanDerWaalsContact O-CB 3.31Å; L728-L732 WeakPolarHBondContact O-CB 3.43Å; L728-L732 WeakPolarHBondContact O-CG 3.42Å; L728-L732 PolarHBondContact O-N 3.19Å
729	K	89.8	Confident	80	Confident	86 Å²	86	77.6 Å²	77.6	37%	0.374	40%	0.396	S	S	.	.	H	α-helix	trans	-61.5	-40.2	176.3	-170.4	-176.9	-176.6	-173.9	0	112.1	W562 Y725 D727 G733 D734	W562-K729 HydrophobicContact CH2-CB 4.36Å; Y725-K729 HydrophobicContact CE1-CD 4.43Å; Y725-K729 WeakPolarHBondContact O-CB 3.45Å; Y725-K729 PolarHBondContact O-N 2.78Å; D727-K729 VanDerWaalsContact C-N 3.33Å; D727-K729 PolarHBondContact O-N 3.16Å; K729-G733 CarbonylContact O-C 3.45Å; K729-G733 VanDerWaalsContact O-CA 3.29Å; K729-G733 WeakPolarHBondContact O-CA 3.41Å; K729-G733 PolarHBondContact O-N 3.11Å; K729-D734 WeakPolarHBondContact CE-OD1 3.39Å; K729-D734 IonicContact NZ-OD1 3.64Å; K729-D734 PolarHBondContact NZ-OD1 3.34Å
730	K	90.9	Very high	77.2	Confident	165 Å²	165	77.8 Å²	77.8	72%	0.717	40%	0.397	S	S	*	.	H	α-helix	trans	-66.9	-38.1	175.4	-73	167	-169.3	166.6	0	112.5	D726 D727 L728	D726-K730 VanDerWaalsContact O-CG 3.23Å; D726-K730 WeakPolarHBondContact O-CG 3.28Å; D726-K730 PolarHBondContact O-N 3.23Å; D727-K730 PolarHBondContact O-N 2.99Å; L728-K730 VanDerWaalsContact C-N 3.33Å; L728-K730 PolarHBondContact O-N 2.87Å
731	L	89.8	Confident	74.8	Confident	70 Å²	70	76.4 Å²	76.4	37%	0.366	39%	0.388	S	S	.	.	H	α-helix	trans	-80.4	-41.2	-176.7	-70.5	170.7	0	0	0	113.1	L713 A716 L723 D727 L728	L713-L731 HydrophobicContact CD2-CB 4.45Å; L713-L731 HydrophobicContact CD2-CD1 4.03Å; A716-L731 HydrophobicContact CB-CD1 3.63Å; L723-L731 HydrophobicContact CD1-CD1 4.08Å; D727-L731 WeakPolarHBondContact O-CB 3.42Å; D727-L731 VanDerWaalsContact O-CG 3.28Å; D727-L731 WeakPolarHBondContact O-CG 3.47Å; D727-L731 PolarHBondContact O-N 3.3Å; L728-L731 PolarHBondContact O-N 3.11Å
732	L	88.1	Confident	72.1	Confident	29 Å²	29	82.5 Å²	82.5	15%	0.152	41%	0.408	C	S	.	.	H	α-helix	trans	-100.5	-7.4	-172.4	-58.2	175.6	0	0	0	113.5	L559 W562 N709 L713 L728	L559-L732 HydrophobicContact CD1-CD1 4.28Å; L559-L732 HydrophobicContact CD1-CD2 3.91Å; W562-L732 HydrophobicContact CB-CD1 4.11Å; W562-L732 HydrophobicContact CD2-CD1 3.81Å; W562-L732 HydrophobicContact CE3-CD1 4.44Å; W562-L732 HydrophobicContact CG-CD1 3.64Å; W562-L732 HydrophobicContact CZ2-CB 4.34Å; N709-L732 HydrophobicContact CB-CD2 3.83Å; L713-L732 HydrophobicContact CD1-CD1 4.11Å; L713-L732 HydrophobicContact CD1-CD2 3.91Å; L713-L732 HydrophobicContact CD1-CG 4.43Å; L713-L732 HydrophobicContact CD2-CD1 4.3Å; L713-L732 HydrophobicContact CD2-CD2 4.27Å; L713-L732 HydrophobicContact CD2-CG 4.25Å; L713-L732 HydrophobicContact CG-CD2 3.99Å; L713-L732 HydrophobicContact CG-CG 4.5Å; L728-L732 VanDerWaalsContact O-CB 3.31Å; L728-L732 WeakPolarHBondContact O-CB 3.43Å; L728-L732 WeakPolarHBondContact O-CG 3.42Å; L728-L732 PolarHBondContact O-N 3.19Å
733	G	84.1	Confident	69.8	Low	34 Å²	34	85.6 Å²	85.6	35%	0.351	43%	0.428	S	S	.	.			trans	78.5	-175.3	-173.2	0	0	0	0	0	113.1	W562 K729 N735	W562-G733 VanDerWaalsContact CZ2-O 3.27Å; W562-G733 WeakPolarHBondContact CZ2-O 3.28Å; K729-G733 CarbonylContact O-C 3.45Å; K729-G733 VanDerWaalsContact O-CA 3.29Å; K729-G733 WeakPolarHBondContact O-CA 3.41Å; K729-G733 PolarHBondContact O-N 3.11Å; G733-N735 PolarHBondContact O-N 3.35Å
734	D	70.9	Confident	67.6	Low	123 Å²	123	91 Å²	91	66%	0.658	45%	0.449	S	S	*	.			trans	-69.7	123.4	177.2	-82.6	-25.5	0	0	0	111	K729 Q736	K729-D734 WeakPolarHBondContact CE-OD1 3.39Å; K729-D734 IonicContact NZ-OD1 3.64Å; K729-D734 PolarHBondContact NZ-OD1 3.34Å; D734-Q736 PolarHBondContact O-N 3.21Å
735	N	62.9	Low	65.1	Low	30 Å²	30	98.6 Å²	98.6	16%	0.16	49%	0.485	C	S	.	.			trans	-65.8	115.6	168.6	-158.6	-23.8	0	0	0	107.9	W562 S565 G733 R737	W562-N735 HydrophobicContact CD2-CB 4.33Å; W562-N735 HydrophobicContact CH2-CB 4.15Å; W562-N735 HydrophobicContact CZ2-CB 3.59Å; W562-N735 PolarHBondContact O-ND2 3.24Å; W562-N735 PolarHBondContact O-OD1 2.73Å; S565-N735 WeakPolarHBondContact CB-OD1 3.36Å; G733-N735 PolarHBondContact O-N 3.35Å; N735-R737 HydrophobicContact CB-CG 4.29Å; N735-R737 PolarHBondContact O-N 3.24Å
736	Q	55.1	Low	64	Low	178 Å²	178	100 Å²	100	83%	0.832	50%	0.496	S	S	*	.			trans	-70.3	68.7	173.1	-66.6	-174	7.9	0	0	109.7	D734	D734-Q736 PolarHBondContact O-N 3.21Å
737	R	57.8	Low	62.8	Low	78 Å²	78	100.7 Å²	100.7	29%	0.294	50%	0.498	S	S	.	.			trans	-72.6	125.9	171.3	-76.2	177.3	172.5	-147.1	-22.9	107.9	I569 N735 T739	I569-R737 PolarHBondContact O-NH2 2.83Å; I569-R737 VanDerWaalsContact O-NH2 3.1Å; N735-R737 HydrophobicContact CB-CG 4.29Å; N735-R737 PolarHBondContact O-N 3.24Å; R737-T739 PolarHBondContact O-N 2.84Å
738	P	48.3	Very low	61.3	Low	53 Å²	53	103.7 Å²	103.7	34%	0.344	51%	0.511	S	S	.	.			trans	-61.5	116.2	169.4	25.2	-30.9	0	0	0	108.1	K740 I741	P738-K740 PolarHBondContact O-N 3.26Å; P738-I741 HydrophobicContact CG-CG1 4Å
739	T	42.3	Very low	59.6	Low	151 Å²	151	109.8 Å²	109.8	93%	0.926	54%	0.541	S	S	*	.	S	Bend	trans	-59.8	-13.4	177.8	48.8	0	0	0	0	113.2	R737	R737-T739 PolarHBondContact O-N 2.84Å
740	K	36.6	Very low	57.7	Low	182 Å²	182	111.3 Å²	111.3	79%	0.791	55%	0.552	S	S	*	*	S	Bend	trans	-133.9	102.2	164.6	-72	178.9	178	178.3	0	107.9	P738 R742	P738-K740 PolarHBondContact O-N 3.26Å; K740-R742 PolarHBondContact O-N 3.26Å
741	I	39.8	Very low	55.5	Low	58 Å²	58	107.7 Å²	107.7	30%	0.297	54%	0.54	S	S	.	.			trans	-64.9	109.1	164.7	-61.4	167.5	0	0	0	105.5	P738	P738-I741 HydrophobicContact CG-CG1 4Å
742	R	34.2	Very low	53.1	Low	216 Å²	216	110.4 Å²	110.4	82%	0.815	55%	0.553	S	S	*	*			trans	-56.2	128.8	165	-73.8	-175.2	-179.7	-170	0.2	105.8	K740 R744	K740-R742 PolarHBondContact O-N 3.26Å; R742-R744 PolarHBondContact O-N 3.08Å
743	P	40.9	Very low	50.4	Low	100 Å²	100	116.6 Å²	116.6	65%	0.649	58%	0.584	S	S	*	*			trans	-51.9	119.7	170.3	22.5	-30.8	0	0	0	106.3	L745	P743-L745 HydrophobicContact CB-CB 4.48Å; P743-L745 HydrophobicContact CB-CD1 4.05Å; P743-L745 HydrophobicContact CB-CG 4.15Å; P743-L745 PolarHBondContact O-N 3.4Å
744	R	45.7	Very low	47.6	Very low	115 Å²	115	123.5 Å²	123.5	43%	0.434	60%	0.603	S	S	.	*			trans	-73.7	64.2	166.9	-69.6	-172	-177.1	-175.8	5.4	106.3	N566 N604 D606 R742	N566-R744 PolarHBondContact ND2-NH2 2.85Å; N604-R744 PolarHBondContact ND2-O 2.86Å; D606-R744 IonicContact OD2-NH1 3.87Å; D606-R744 PolarHBondContact OD2-NH1 2.96Å; R742-R744 PolarHBondContact O-N 3.08Å
745	L	36.3	Very low	45.4	Very low	198 Å²	198	123.5 Å²	123.5	100%	1.037	60%	0.598	S	S	*	*			trans	-93.2	0	167.8	-79.3	168.9	0	0	0	108.1	P743	P743-L745 HydrophobicContact CB-CB 4.48Å; P743-L745 HydrophobicContact CB-CD1 4.05Å; P743-L745 HydrophobicContact CB-CG 4.15Å; P743-L745 PolarHBondContact O-N 3.4Å

Retrieved 745 of 745 residues in 673.8 ms (Link to these results)

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