A0A087X516_POEFO Loading...

Heat shock protein 12B

AlphaFold DB , UniProt , Accession A0A087X516, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 694 aa.

Structure Viewer

Loading PAE data...

(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	K	29.8	Very low	26.7	Very low	256 Å²	256	155.4 Å²	155.4	100%	1.113	82%	0.816	S	S	*	*				0	115.7	0	-91.7	-177.1	171.1	-179.9	0	106.7
2	M	28.9	Very low	26.7	Very low	188 Å²	188	155.7 Å²	155.7	93%	0.926	82%	0.817	S	S	*	*			trans	62.1	105.9	-176.1	-52.6	-171.1	77.3	0	0	113.1
3	A	27.3	Very low	26.5	Very low	84 Å²	84	154.8 Å²	154.8	69%	0.694	81%	0.806	S	S	*	*				97.4	120.5	61.4	0	0	0	0	0	109.5
4	E	27.5	Very low	26.4	Very low	182 Å²	182	154.6 Å²	154.6	85%	0.85	80%	0.804	S	S	*	*				57.3	132.7	62.2	-93.8	168.4	-173.2	0	0	111.5
5	E	28.1	Very low	26.9	Very low	167 Å²	167	152.7 Å²	152.7	78%	0.78	81%	0.805	S	S	*	*			cis	-169.5	-177.2	14.6	-163.2	-172.8	-167.8	0	0	110.6
6	V	25.9	Very low	26.8	Very low	117 Å²	117	147.2 Å²	147.2	71%	0.709	80%	0.797	S	S	*	*			trans	90.4	129.8	152.4	-179.9	0	0	0	0	121.4
7	Q	23.6	Very low	26.8	Very low	164 Å²	164	150.6 Å²	150.6	77%	0.766	80%	0.802	S	S	*	*			trans	-85.3	166.4	169	-64.5	162.5	-96.8	0	0	113
8	L	25.1	Very low	26.8	Very low	169 Å²	169	148.2 Å²	148.2	89%	0.885	79%	0.794	S	S	*	*			trans	-153.5	132.6	141.6	-119.8	142.7	0	0	0	113.6
9	D	24.7	Very low	26.8	Very low	130 Å²	130	150.3 Å²	150.3	70%	0.695	80%	0.798	S	S	*	*			trans	-75.1	164.3	175.2	-75.2	-50.8	0	0	0	113
10	S	28.1	Very low	26.7	Very low	125 Å²	125	146.7 Å²	146.7	87%	0.874	80%	0.799	S	S	*	*			trans	-140.8	123.3	147.6	46.4	0	0	0	0	111.7
11	N	25.1	Very low	26.5	Very low	127 Å²	127	143.4 Å²	143.4	68%	0.679	80%	0.799	S	S	*	*			trans	-83.7	158.1	179	-79.5	-71.1	0	0	0	112.5
12	L	25.8	Very low	26.2	Very low	159 Å²	159	136.4 Å²	136.4	83%	0.832	78%	0.782	S	S	*	*				170.8	96.4	128.5	-97.9	137.7	0	0	0	108.6
13	Q	24.5	Very low	26	Very low	145 Å²	145	135 Å²	135	68%	0.678	78%	0.777	S	S	*	*				60.4	103.4	85.4	-66.2	-169.1	-29.9	0	0	114
14	I	25.6	Very low	25.9	Very low	151 Å²	151	135.8 Å²	135.8	77%	0.774	78%	0.778	S	S	*	*				77.2	145	86.7	-71.2	167.8	0	0	0	112.3
15	P	33.8	Very low	25.8	Very low	126 Å²	126	134.5 Å²	134.5	82%	0.818	78%	0.775	S	S	*	*			cis	-115	-162.1	-8.3	26.7	-3.2	0	0	0	111.9
16	G	24.8	Very low	25.9	Very low	65 Å²	65	131.9 Å²	131.9	67%	0.67	77%	0.773	S	S	*	*			cis	132.1	133.4	-13.6	0	0	0	0	0	116.1
17	K	27.5	Very low	25.8	Very low	206 Å²	206	132 Å²	132	90%	0.896	78%	0.779	S	S	*	*			trans	73.7	150.7	175.2	-66.7	-177.9	178.8	178.1	0	116.1
18	T	26.4	Very low	25.9	Very low	107 Å²	107	129.5 Å²	129.5	66%	0.656	78%	0.779	S	S	*	*			cis	-162.3	162	11.3	-2.8	0	0	0	0	113.9
19	H	27.2	Very low	26.2	Very low	187 Å²	187	127.6 Å²	127.6	87%	0.866	78%	0.777	S	S	*	*			trans	57.5	132.3	150.8	-68.2	-59.5	0	0	0	123.7
20	G	23.8	Very low	26.2	Very low	79 Å²	79	125.7 Å²	125.7	81%	0.814	78%	0.779	S	S	*	*				125.7	95.2	117.2	0	0	0	0	0	120.7
21	G	22.5	Very low	26.1	Very low	77 Å²	77	126.5 Å²	126.5	79%	0.794	78%	0.779	S	S	*	*				70	114.8	124.6	0	0	0	0	0	123.2
22	S	24.1	Very low	26.2	Very low	109 Å²	109	125.5 Å²	125.5	76%	0.762	79%	0.789	S	S	*	*			trans	61	122.2	132.9	-155	0	0	0	0	121.6
23	L	24.5	Very low	26.2	Very low	159 Å²	159	129 Å²	129	83%	0.832	79%	0.791	S	S	*	*				-180	160.3	105	-95.4	162.7	0	0	0	112.7
24	S	24.5	Very low	26.2	Very low	100 Å²	100	128.6 Å²	128.6	70%	0.699	79%	0.793	S	S	*	*			trans	-112.9	-156.8	-175.7	55.8	0	0	0	0	111.5
25	I	26.5	Very low	26.2	Very low	155 Å²	155	127.6 Å²	127.6	80%	0.795	79%	0.789	S	S	*	*			trans	104.5	140.1	171.5	-56.3	160.2	0	0	0	112.6
26	P	29.1	Very low	25.8	Very low	113 Å²	113	128.4 Å²	128.4	73%	0.734	80%	0.796	S	S	*	*				-127.5	-167.9	-119	47.5	-39.7	0	0	0	115.4
27	S	24.9	Very low	25.7	Very low	119 Å²	119	130.4 Å²	130.4	83%	0.832	80%	0.8	S	S	*	*			trans	-144.4	146.8	160.1	58.1	0	0	0	0	113.3
28	S	25.6	Very low	25.9	Very low	111 Å²	111	128.2 Å²	128.2	78%	0.776	80%	0.797	S	S	*	*			trans	-134.5	-177.4	178.1	-54.7	0	0	0	0	108.8
29	P	31.1	Very low	25.7	Very low	129 Å²	129	126.7 Å²	126.7	84%	0.838	80%	0.795	S	S	*	*				-115.8	155.3	-84.5	35.4	-21.9	0	0	0	112.5
30	A	24.3	Very low	25.6	Very low	90 Å²	90	123.5 Å²	123.5	74%	0.744	79%	0.791	S	S	*	*			trans	-130.9	112.2	178.6	0	0	0	0	0	113.7
31	T	26.1	Very low	25.9	Very low	143 Å²	143	128.1 Å²	128.1	88%	0.877	80%	0.796	S	S	*	*			trans	41.8	112	145.6	54.5	0	0	0	0	120.2
32	A	27.3	Very low	26.1	Very low	106 Å²	106	130.1 Å²	130.1	88%	0.876	79%	0.793	S	S	*	*			trans	-82.4	119.8	170.8	0	0	0	0	0	113.5
33	R	25.3	Very low	26.2	Very low	233 Å²	233	131 Å²	131	88%	0.879	80%	0.796	S	S	*	*			trans	-150.7	130.7	151.9	-79.7	-169.6	173.8	178.1	-2.1	108.4
34	N	26.2	Very low	26.4	Very low	136 Å²	136	128.5 Å²	128.5	73%	0.727	79%	0.792	S	S	*	*			trans	159.9	130	131.3	-85.7	12	0	0	0	113.1
35	D	23.7	Very low	26.6	Very low	129 Å²	129	129.7 Å²	129.7	69%	0.69	80%	0.797	S	S	*	*				41.9	111.3	124.9	-45.7	-31.4	0	0	0	119.9	S37	D35-S37 VanDerWaalsContact C-N 3.29Å; D35-S37 PolarHBondContact O-N 2.88Å
36	C	26.1	Very low	27.1	Very low	143 Å²	143	127.4 Å²	127.4	97%	0.966	80%	0.795	S	S	*	*			trans	-69.6	82.7	159.8	-63.7	0	0	0	0	111
37	S	24.1	Very low	27.3	Very low	107 Å²	107	127.8 Å²	127.8	75%	0.748	80%	0.798	S	S	*	*			trans	-80.2	134.9	163.9	54.1	0	0	0	0	110.4	D35 A39	D35-S37 VanDerWaalsContact C-N 3.29Å; D35-S37 PolarHBondContact O-N 2.88Å; S37-A39 PolarHBondContact O-N 2.89Å
38	I	30.2	Very low	27.5	Very low	160 Å²	160	133.4 Å²	133.4	82%	0.821	80%	0.801	S	S	*	*			trans	-78.5	110.1	175.7	-63.4	172.2	0	0	0	107.6
39	A	23.2	Very low	27.8	Very low	76 Å²	76	134 Å²	134	63%	0.628	80%	0.799	S	S	*	*			trans	-73	138.2	171.8	0	0	0	0	0	110.5	S37 L41	S37-A39 PolarHBondContact O-N 2.89Å; A39-L41 PolarHBondContact O-N 2.93Å
40	P	24.5	Very low	27.7	Very low	119 Å²	119	136.1 Å²	136.1	77%	0.773	80%	0.798	S	S	*	*			trans	-65.4	131.9	170.9	27.4	-32.9	0	0	0	110	T42	P40-T42 PolarHBondContact O-N 2.91Å
41	L	30.5	Very low	28	Very low	177 Å²	177	138.1 Å²	138.1	93%	0.927	80%	0.8	S	S	*	*			trans	-68.3	104.2	-179.6	-69.1	168.6	0	0	0	110.5	A39	A39-L41 PolarHBondContact O-N 2.93Å
42	T	26.2	Very low	28.4	Very low	119 Å²	119	141.8 Å²	141.8	73%	0.73	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-71.3	145.9	161.6	39	0	0	0	0	110	P40 S44	P40-T42 PolarHBondContact O-N 2.91Å; T42-S44 PolarHBondContact O-N 2.83Å
43	P	27.4	Very low	28.4	Very low	126 Å²	126	142.2 Å²	142.2	82%	0.818	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-59.6	123.1	177.6	-21.9	32.8	0	0	0	110.4
44	S	28.4	Very low	29	Very low	107 Å²	107	143.2 Å²	143.2	75%	0.748	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-63.7	135.9	171.5	-53.6	0	0	0	0	109.1	T42 S46	T42-S44 PolarHBondContact O-N 2.83Å; S44-S46 PolarHBondContact O-N 2.66Å
45	P	27.8	Very low	29.7	Very low	126 Å²	126	144.8 Å²	144.8	82%	0.818	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-60	132.3	173.6	25.2	-32.9	0	0	0	109.3
46	S	37.2	Very low	30.8	Very low	106 Å²	106	143.2 Å²	143.2	74%	0.741	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-49.9	137.5	-175.8	-47.9	0	0	0	0	111.5	S44 R48	S44-S46 PolarHBondContact O-N 2.66Å; S46-R48 PolarHBondContact O-N 2.91Å
47	P	33.2	Very low	32.2	Very low	122 Å²	122	140 Å²	140	79%	0.792	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-56.7	137.4	175	24	-32.9	0	0	0	109.7
48	R	29.6	Very low	34.6	Very low	237 Å²	237	138.7 Å²	138.7	89%	0.894	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-56.7	143.1	174.1	-73.6	-179	173.9	177.7	-2.2	109	S46 E50	S46-R48 PolarHBondContact O-N 2.91Å; R48-E50 VanDerWaalsContact C-N 3.31Å; R48-E50 PolarHBondContact O-N 3.2Å
49	V	32	Very low	37.3	Very low	122 Å²	122	131.8 Å²	131.8	74%	0.739	74%	0.737	S	S	*	*			trans	-69.2	89	179.9	-177.1	0	0	0	0	109.4	V51	V49-V51 PolarHBondContact O-N 3.33Å
50	E	27.9	Very low	40.5	Very low	175 Å²	175	129.7 Å²	129.7	82%	0.818	72%	0.718	S	S	*	*			trans	-67.1	119.1	152.2	-74.1	-172.5	161.1	0	0	107.4	R48 R52	R48-E50 VanDerWaalsContact C-N 3.31Å; R48-E50 PolarHBondContact O-N 3.2Å; E50-R52 VanDerWaalsContact C-N 3.31Å; E50-R52 PolarHBondContact O-N 3.07Å
51	V	31.7	Very low	43.7	Very low	131 Å²	131	124 Å²	124	79%	0.794	68%	0.681	S	S	*	*			trans	-66.2	96.5	170.7	178.7	0	0	0	0	106.8	V49	V49-V51 PolarHBondContact O-N 3.33Å
52	R	33.7	Very low	46.9	Very low	221 Å²	221	115.6 Å²	115.6	83%	0.834	64%	0.637	S	S	*	*			trans	-52.7	134.7	171.4	-76.8	-174.8	176	174.7	0.6	108.3	E50 R54	E50-R52 VanDerWaalsContact C-N 3.31Å; E50-R52 PolarHBondContact O-N 3.07Å; R52-R54 PolarHBondContact O-N 3.03Å
53	P	28.6	Very low	50.2	Low	114 Å²	114	110 Å²	110	74%	0.74	60%	0.602	S	S	*	*			trans	-52.5	139.5	171.3	-23.6	33	0	0	0	109.5	M55	P53-M55 PolarHBondContact O-N 2.93Å
54	R	36.4	Very low	53.6	Low	254 Å²	254	104 Å²	104	96%	0.958	56%	0.563	S	S	*	*			trans	-58.6	104.4	167.4	-84	-177.9	165.4	-178.6	-6.1	107.3	R52	R52-R54 PolarHBondContact O-N 3.03Å
55	M	41.8	Very low	56.9	Low	170 Å²	170	98.9 Å²	98.9	84%	0.837	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-57.5	143.3	167.5	-68	-178.6	65.5	0	0	108	P53 C57	P53-M55 PolarHBondContact O-N 2.93Å; M55-C57 PolarHBondContact O-N 3.06Å
56	A	46.4	Very low	60.2	Low	95 Å²	95	93.1 Å²	93.1	79%	0.785	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-52.4	126.2	170.8	0	0	0	0	0	108.4	P58	A56-P58 VanDerWaalsContact O-CD 3.26Å; A56-P58 WeakPolarHBondContact O-CD 3.44Å
57	C	55.3	Low	63	Low	75 Å²	75	88.1 Å²	88.1	51%	0.507	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-69.9	118.3	177.5	-72.9	0	0	0	0	107.7	M55 F59 M79	M55-C57 PolarHBondContact O-N 3.06Å; C57-F59 HydrophobicContact CB-CD1 4.39Å; C57-F59 HydrophobicContact CB-CE1 4.11Å; C57-F59 PolarHBondContact O-N 3.34Å; C57-M79 HydrophobicContact CB-CE 4.4Å
58	P	75.1	Confident	65.9	Low	80 Å²	80	82.8 Å²	82.8	52%	0.519	42%	0.422	S	S	.	.	S	Bend	trans	-80	28.8	-176.7	35.3	-37.3	0	0	0	112	A56	A56-P58 VanDerWaalsContact O-CD 3.26Å; A56-P58 WeakPolarHBondContact O-CD 3.44Å
59	F	86.9	Confident	68.9	Low	15 Å²	15	72 Å²	72	7%	0.066	38%	0.383	C	S	.	.			trans	-159.8	146.1	-176.3	63.2	-78.6	0	0	0	110	C57 V62 M79 E200 R202	C57-F59 HydrophobicContact CB-CD1 4.39Å; C57-F59 HydrophobicContact CB-CE1 4.11Å; C57-F59 PolarHBondContact O-N 3.34Å; F59-V62 HydrophobicContact CD2-CG2 3.98Å; F59-V62 HydrophobicContact CE2-CG2 3.52Å; F59-M79 HydrophobicContact CD2-CG 4.06Å; F59-M79 HydrophobicContact CD2-SD 4.21Å; F59-M79 HydrophobicContact CE2-CE 4.21Å; F59-M79 HydrophobicContact CE2-CG 3.9Å; F59-M79 HydrophobicContact CE2-SD 3.45Å; F59-M79 WeakPolarHBondContact CE2-SD 3.45Å; F59-M79 HydrophobicContact CZ-CE 4.25Å; F59-M79 HydrophobicContact CZ-SD 4.05Å; F59-E200 CarbonylContact C-O 3.51Å; F59-E200 VanDerWaalsContact CA-O 3.3Å; F59-E200 WeakPolarHBondContact CA-O 3.45Å; F59-E200 WeakPolarHBondContact CB-O 3.26Å; F59-R202 HydrophobicContact CB-CB 4.19Å; F59-R202 HydrophobicContact CD1-CB 4.32Å; F59-R202 HydrophobicContact CD2-CB 3.71Å; F59-R202 HydrophobicContact CE2-CB 4.17Å; F59-R202 HydrophobicContact CG-CB 3.8Å; F59-R202 VanDerWaalsContact CZ-NH1 3.25Å
60	S	89.7	Confident	71.8	Confident	33 Å²	33	68.2 Å²	68.2	23%	0.231	36%	0.36	C	S	.	.	S	Bend	trans	-104.6	-19.6	176.5	70.4	0	0	0	0	112.5	M79 E200	S60-M79 WeakPolarHBondContact O-CB 3.25Å; S60-M79 WeakPolarHBondContact O-CG 3.47Å; S60-M79 PolarHBondContact O-N 2.96Å; S60-E200 PolarHBondContact N-O 3.45Å; S60-E200 WeakPolarHBondContact OG-CB 3.2Å; S60-E200 PolarHBondContact OG-OE2 3.33Å
61	V	93.1	Very high	74.9	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	142.5	-178.6	-170.6	0	0	0	0	111.4	V63 F76 F78 V188 L196 E200 I201 R202	V61-V63 HydrophobicContact CG1-CG2 4.11Å; V61-F76 HydrophobicContact CG1-CB 4.37Å; V61-F76 HydrophobicContact CG1-CD2 4.49Å; V61-F78 HydrophobicContact CG2-CD1 3.66Å; V61-F78 HydrophobicContact CG2-CE1 3.82Å; V61-V188 HydrophobicContact CG1-CG1 3.99Å; V61-V188 HydrophobicContact CG1-CG2 4.37Å; V61-V188 HydrophobicContact CG2-CG1 3.99Å; V61-L196 HydrophobicContact CG2-CD1 3.82Å; V61-L196 HydrophobicContact CG2-CD2 4.37Å; V61-E200 PolarHBondContact N-O 3.22Å; V61-E200 VanDerWaalsContact N-O 3.1Å; V61-I201 HydrophobicContact CB-CG1 4.41Å; V61-R202 PolarHBondContact O-N 3.26Å
62	V	95.7	Very high	77.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126	165	176.3	0	0	0	0	108.9	F59 F76 S77 R202 V204 V525 L529	F59-V62 HydrophobicContact CD2-CG2 3.98Å; F59-V62 HydrophobicContact CE2-CG2 3.52Å; V62-F76 CarbonylContact O-C 3.59Å; V62-F76 WeakPolarHBondContact O-CA 3.11Å; V62-F76 VanDerWaalsContact O-CB 3.25Å; V62-F76 WeakPolarHBondContact O-CB 3.34Å; V62-S77 PolarHBondContact N-O 2.85Å; V62-S77 PolarHBondContact O-N 3.39Å; V62-R202 CarbonylContact C-O 3.59Å; V62-R202 WeakPolarHBondContact CA-O 3.24Å; V62-R202 HydrophobicContact CG2-CB 4.39Å; V62-V204 HydrophobicContact CG1-CG2 4.07Å; V62-V525 HydrophobicContact CG1-CG1 4.42Å; V62-L529 HydrophobicContact CB-CD2 4.32Å; V62-L529 HydrophobicContact CB-CG 4.46Å; V62-L529 HydrophobicContact CG2-CD2 3.71Å; V62-L529 HydrophobicContact CG2-CG 4.04Å
63	V	97.1	Very high	80.8	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.4	170.4	-176.3	0	0	0	0	108.7	V61 F76 A184 V188 I201 R202 W203 V204	V61-V63 HydrophobicContact CG1-CG2 4.11Å; V63-F76 HydrophobicContact CB-CB 4.42Å; V63-F76 HydrophobicContact CG2-CB 3.93Å; V63-A184 HydrophobicContact CG1-CB 3.9Å; V63-V188 HydrophobicContact CG2-CG2 4.24Å; V63-I201 HydrophobicContact CB-CG2 4.27Å; V63-I201 HydrophobicContact CG2-CG2 3.73Å; V63-R202 PolarHBondContact N-O 3.34Å; V63-W203 HydrophobicContact CB-CD2 4.38Å; V63-W203 HydrophobicContact CB-CE3 3.89Å; V63-W203 HydrophobicContact CB-CH2 4.36Å; V63-W203 HydrophobicContact CB-CZ3 3.89Å; V63-W203 HydrophobicContact CG1-CE3 3.82Å; V63-W203 HydrophobicContact CG1-CH2 4.08Å; V63-W203 HydrophobicContact CG1-CZ3 3.43Å; V63-W203 VanDerWaalsContact CG1-CZ3 3.43Å; V63-W203 CarbonylContact O-C 3.59Å; V63-W203 WeakPolarHBondContact O-CA 3.38Å; V63-V204 PolarHBondContact O-N 3.24Å
64	A	98.3	Very high	84	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	130.9	174.3	0	0	0	0	0	110.7	Y74 A75 V204 L521 A524 V525	A64-Y74 CarbonylContact O-C 3.59Å; A64-Y74 WeakPolarHBondContact O-CA 3.39Å; A64-Y74 WeakPolarHBondContact O-CB 3.26Å; A64-A75 PolarHBondContact N-O 2.8Å; A64-A75 PolarHBondContact O-N 2.68Å; A64-V204 CarbonylContact C-O 3.57Å; A64-V204 WeakPolarHBondContact CA-O 3.26Å; A64-V204 HydrophobicContact CB-CB 3.97Å; A64-L521 HydrophobicContact CB-CD1 4.16Å; A64-L521 VanDerWaalsContact O-CD1 3.27Å; A64-L521 WeakPolarHBondContact O-CD1 3.19Å; A64-A524 HydrophobicContact CB-CB 3.69Å; A64-V525 HydrophobicContact CB-CB 4.45Å; A64-V525 HydrophobicContact CB-CG2 3.62Å
65	I	98.2	Very high	86.9	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	116.2	170.4	-56.9	173.2	0	0	0	107.7	F67 L177 F180 W203 V204 T206 L228	I65-F67 HydrophobicContact CG2-CB 4.32Å; I65-F67 HydrophobicContact CG2-CD2 4.4Å; I65-F67 PolarHBondContact O-N 2.77Å; I65-L177 HydrophobicContact CD1-CD2 4.12Å; I65-L177 HydrophobicContact CG2-CD2 4.41Å; I65-F180 HydrophobicContact CD1-CB 3.86Å; I65-F180 HydrophobicContact CG1-CB 4.34Å; I65-F180 HydrophobicContact CG2-CD2 3.98Å; I65-F180 HydrophobicContact CG2-CE2 4.47Å; I65-F180 HydrophobicContact CG2-CG 4.34Å; I65-W203 HydrophobicContact CD1-CE3 4.02Å; I65-W203 HydrophobicContact CD1-CZ3 4Å; I65-W203 HydrophobicContact CG1-CE3 4.38Å; I65-W203 HydrophobicContact CG1-CZ3 4.38Å; I65-V204 PolarHBondContact N-O 2.7Å; I65-T206 PolarHBondContact O-N 3.18Å; I65-T206 VanDerWaalsContact O-N 3.11Å; I65-L228 HydrophobicContact CD1-CD2 3.82Å
66	D	97.4	Very high	89.4	Confident	5 Å²	5	19.6 Å²	19.6	3%	0.027	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	96.8	167.6	-174.6	11.3	0	0	0	108.7	G68 S72 G73 K102 T206 I520 L521	D66-G68 PolarHBondContact O-N 3.32Å; D66-S72 CarbonylContact O-C 3.37Å; D66-S72 WeakPolarHBondContact O-CA 3.44Å; D66-S72 WeakPolarHBondContact O-CB 3.47Å; D66-G73 PolarHBondContact N-O 2.93Å; D66-G73 PolarHBondContact O-N 3.41Å; D66-K102 VanDerWaalsContact OD2-CE 3.31Å; D66-K102 WeakPolarHBondContact OD2-CE 3.49Å; D66-K102 IonicContact OD2-NZ 3.56Å; D66-K102 PolarHBondContact OD2-NZ 3.38Å; D66-T206 VanDerWaalsContact CA-OG1 3.27Å; D66-T206 WeakPolarHBondContact CA-OG1 3.34Å; D66-T206 HydrophobicContact CB-CG2 4.31Å; D66-T206 PolarHBondContact OD1-OG1 3.39Å; D66-I520 WeakPolarHBondContact OD1-CG2 3.27Å; D66-L521 HydrophobicContact CB-CB 3.71Å; D66-L521 HydrophobicContact CB-CD1 3.78Å; D66-L521 HydrophobicContact CB-CD2 4.3Å; D66-L521 HydrophobicContact CB-CG 4.13Å
67	F	95.5	Very high	91.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	10%	0.1	C	C	.	.			trans	-90	71.7	-173.1	-163	-87.3	0	0	0	110	I65 S72 T105 F143 K144 F173 A176 L177 F180 T206 M219	I65-F67 HydrophobicContact CG2-CB 4.32Å; I65-F67 HydrophobicContact CG2-CD2 4.4Å; I65-F67 PolarHBondContact O-N 2.77Å; F67-S72 WeakPolarHBondContact CA-OG 3.38Å; F67-T105 HydrophobicContact CE1-CG2 4.46Å; F67-F143 HydrophobicContact CE1-CE2 4.11Å; F67-F143 AromaticContact CZ-CE2 3.85Å; F67-F143 HydrophobicContact CZ-CE2 3.85Å; F67-F143 HydrophobicContact CZ-CZ 4.08Å; F67-K144 HydrophobicContact CD1-CD 4.36Å; F67-K144 WeakPolarHBondContact O-CD 3.27Å; F67-K144 WeakPolarHBondContact O-CE 3.3Å; F67-K144 PolarHBondContact O-NZ 2.82Å; F67-F173 HydrophobicContact CD1-CD1 4.45Å; F67-F173 HydrophobicContact CD1-CE1 4.28Å; F67-F173 AromaticContact CE1-CD1 3.61Å; F67-F173 HydrophobicContact CE1-CD1 3.61Å; F67-F173 AromaticContact CE1-CE1 3.52Å; F67-F173 HydrophobicContact CE1-CE1 3.52Å; F67-F173 AromaticContact CZ-CD1 3.85Å; F67-F173 HydrophobicContact CZ-CD1 3.85Å; F67-F173 HydrophobicContact CZ-CE1 4.2Å; F67-A176 HydrophobicContact CE2-CB 3.69Å; F67-A176 HydrophobicContact CZ-CB 3.83Å; F67-L177 HydrophobicContact CD2-CD2 3.75Å; F67-L177 HydrophobicContact CD2-CG 4.42Å; F67-L177 HydrophobicContact CE2-CD2 4.08Å; F67-L177 HydrophobicContact CE2-CG 4.27Å; F67-F180 HydrophobicContact CD2-CE2 4.33Å; F67-F180 HydrophobicContact CE2-CE2 4.42Å; F67-T206 PolarHBondContact N-OG1 3.36Å; F67-M219 HydrophobicContact CB-CE 4.31Å; F67-M219 HydrophobicContact CD1-CE 3.94Å; F67-M219 HydrophobicContact CE1-CE 4.45Å; F67-M219 HydrophobicContact CG-CE 4.01Å
68	G	93.7	Very high	93.5	Very high	11 Å²	11	13.2 Å²	13.2	11%	0.113	8%	0.084	C	C	.	.			trans	-75.7	164.9	-174.9	0	0	0	0	0	114.9	D66 S71 S72 T105	D66-G68 PolarHBondContact O-N 3.32Å; G68-S71 VanDerWaalsContact CA-O 3.28Å; G68-S71 WeakPolarHBondContact CA-O 3.45Å; G68-S71 PolarHBondContact N-O 3.01Å; G68-S72 PolarHBondContact N-OG 3.5Å; G68-S72 PolarHBondContact O-OG 2.82Å; G68-T105 WeakPolarHBondContact O-CB 3.05Å; G68-T105 WeakPolarHBondContact O-CG2 3.07Å; G68-T105 PolarHBondContact O-OG1 3.21Å
69	T	93.3	Very high	94.1	Very high	10 Å²	10	12.3 Å²	12.3	6%	0.061	7%	0.073	C	C	.	.	S	Bend	trans	-67.5	-43.8	177	-62.6	0	0	0	0	113.3	T105 K142 M145 V355	T69-T105 WeakPolarHBondContact O-CB 3.32Å; T69-K142 HydrophobicContact CG2-CB 4.23Å; T69-K142 WeakPolarHBondContact O-CA 3.29Å; T69-M145 HydrophobicContact CG2-CG 3.54Å; T69-M145 HydrophobicContact CG2-SD 3.84Å; T69-V355 HydrophobicContact CG2-CG2 4.5Å
70	T	91.7	Very high	94	Very high	42 Å²	42	20.9 Å²	20.9	26%	0.258	11%	0.113	S	C	.	.	S	Bend	trans	-102.1	-29.1	-175.5	49.8	0	0	0	0	112.4	P104 T105 V355	T70-P104 WeakPolarHBondContact O-CA 3.5Å; T70-T105 PolarHBondContact O-N 2.85Å; T70-V355 HydrophobicContact CG2-CG2 3.87Å
71	S	92.6	Very high	93.8	Very high	45 Å²	45	23 Å²	23	32%	0.315	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	138.7	176.8	-53.1	0	0	0	0	110.8	G68 S103 T105	G68-S71 VanDerWaalsContact CA-O 3.28Å; G68-S71 WeakPolarHBondContact CA-O 3.45Å; G68-S71 PolarHBondContact N-O 3.01Å; S71-S103 CarbonylContact C-O 3.57Å; S71-S103 WeakPolarHBondContact CA-O 3.45Å; S71-S103 WeakPolarHBondContact CB-O 3.45Å; S71-T105 VanDerWaalsContact CA-OG1 3.26Å; S71-T105 WeakPolarHBondContact CA-OG1 3.49Å; S71-T105 PolarHBondContact N-OG1 2.94Å; S71-T105 VanDerWaalsContact N-OG1 3.14Å
72	S	95.3	Very high	93.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	156.2	178.1	-64.6	0	0	0	0	110.7	D66 F67 G68 K102 S103 T105 F180	D66-S72 CarbonylContact O-C 3.37Å; D66-S72 WeakPolarHBondContact O-CA 3.44Å; D66-S72 WeakPolarHBondContact O-CB 3.47Å; F67-S72 WeakPolarHBondContact CA-OG 3.38Å; G68-S72 PolarHBondContact N-OG 3.5Å; G68-S72 PolarHBondContact O-OG 2.82Å; S72-K102 WeakPolarHBondContact O-CA 3.36Å; S72-S103 PolarHBondContact N-O 2.84Å; S72-S103 PolarHBondContact O-N 3.3Å; S72-S103 VanDerWaalsContact O-O 3.14Å; S72-T105 PolarHBondContact N-OG1 2.6Å; S72-T105 PolarHBondContact OG-OG1 2.85Å; S72-T105 VanDerWaalsContact OG-OG1 3.04Å; S72-F180 VanDerWaalsContact CB-CZ 3.46Å
73	G	95	Very high	92.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	173.4	173.9	0	0	0	0	0	112	D66 M88	D66-G73 PolarHBondContact N-O 2.93Å; D66-G73 PolarHBondContact O-N 3.41Å; G73-M88 WeakPolarHBondContact CA-SD 3.33Å
74	Y	96.5	Very high	92.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	164.3	175.6	67.7	-102.1	0	0	0	113.4	A64 F76 M88 F180 H183 A184 E187	A64-Y74 CarbonylContact O-C 3.59Å; A64-Y74 WeakPolarHBondContact O-CA 3.39Å; A64-Y74 WeakPolarHBondContact O-CB 3.26Å; Y74-F76 HydrophobicContact CD2-CD1 4.45Å; Y74-F76 HydrophobicContact CE2-CD1 4.33Å; Y74-M88 HydrophobicContact CD1-CB 4.13Å; Y74-M88 HydrophobicContact CD1-SD 4.46Å; Y74-M88 HydrophobicContact CD2-CB 3.8Å; Y74-M88 HydrophobicContact CE1-CB 3.89Å; Y74-M88 HydrophobicContact CE2-CB 3.49Å; Y74-M88 VanDerWaalsContact CE2-CB 3.49Å; Y74-M88 HydrophobicContact CG-CB 4.08Å; Y74-M88 WeakPolarHBondContact O-CB 3.32Å; Y74-M88 PolarHBondContact O-N 3.38Å; Y74-F180 HydrophobicContact CD1-CB 4.28Å; Y74-F180 AromaticContact CD1-CD1 3.76Å; Y74-F180 HydrophobicContact CD1-CD1 3.76Å; Y74-F180 HydrophobicContact CD1-CG 4.42Å; Y74-F180 HydrophobicContact CE1-CD1 4.26Å; Y74-H183 HydrophobicContact CE1-CB 3.97Å; Y74-H183 AromaticContact CE1-CG 3.93Å; Y74-H183 AromaticContact CE1-ND1 3.5Å; Y74-H183 WeakPolarHBondContact CE1-ND1 3.47Å; Y74-H183 AromaticContact CZ-CG 4Å; Y74-H183 AromaticContact CZ-ND1 3.64Å; Y74-H183 PolarHBondContact OH-CD2 2.56Å; Y74-H183 PolarHBondContact OH-CE1 3.07Å; Y74-H183 PolarHBondContact OH-ND1 3.21Å; Y74-H183 PolarHBondContact OH-NE2 3.43Å; Y74-H183 PolarHBondContact OH-O 3Å; Y74-A184 HydrophobicContact CD1-CB 4.05Å; Y74-A184 HydrophobicContact CD2-CB 3.89Å; Y74-A184 HydrophobicContact CE1-CB 3.87Å; Y74-A184 HydrophobicContact CE2-CB 3.75Å; Y74-A184 HydrophobicContact CG-CB 4.06Å; Y74-A184 VanDerWaalsContact CZ-CA 3.44Å; Y74-A184 PolarHBondContact OH-N 3.02Å; Y74-E187 PolarHBondContact OH-OE1 2.93Å
75	A	96.1	Very high	92.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	156.8	169.9	0	0	0	0	0	108.6	A64 I85 H86 M87 L521 V525	A64-A75 PolarHBondContact N-O 2.8Å; A64-A75 PolarHBondContact O-N 2.68Å; A75-I85 HydrophobicContact CB-CG2 3.91Å; A75-H86 CarbonylContact C-O 3.42Å; A75-H86 WeakPolarHBondContact CA-O 3.3Å; A75-H86 WeakPolarHBondContact CB-O 3.47Å; A75-M87 HydrophobicContact CB-CE 4.16Å; A75-M87 HydrophobicContact CB-SD 3.68Å; A75-L521 HydrophobicContact CB-CD1 3.94Å; A75-L521 HydrophobicContact CB-CD2 4.24Å; A75-L521 HydrophobicContact CB-CG 3.83Å; A75-V525 HydrophobicContact CB-CG2 3.8Å
76	F	95.3	Very high	91.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	162.5	179.9	65.4	-91.6	0	0	0	112.6	V61 V62 V63 Y74 F78 H86 E187 V188	V61-F76 HydrophobicContact CG1-CB 4.37Å; V61-F76 HydrophobicContact CG1-CD2 4.49Å; V62-F76 CarbonylContact O-C 3.59Å; V62-F76 WeakPolarHBondContact O-CA 3.11Å; V62-F76 VanDerWaalsContact O-CB 3.25Å; V62-F76 WeakPolarHBondContact O-CB 3.34Å; V63-F76 HydrophobicContact CB-CB 4.42Å; V63-F76 HydrophobicContact CG2-CB 3.93Å; Y74-F76 HydrophobicContact CD2-CD1 4.45Å; Y74-F76 HydrophobicContact CE2-CD1 4.33Å; F76-F78 HydrophobicContact CD2-CE2 4.2Å; F76-F78 HydrophobicContact CD2-CZ 4.48Å; F76-F78 HydrophobicContact CE2-CD2 4.49Å; F76-F78 AromaticContact CE2-CE2 3.68Å; F76-F78 HydrophobicContact CE2-CE2 3.68Å; F76-F78 AromaticContact CE2-CZ 3.96Å; F76-F78 HydrophobicContact CE2-CZ 3.96Å; F76-H86 HydrophobicContact CD1-CB 4.11Å; F76-H86 HydrophobicContact CD2-CB 4.08Å; F76-H86 AromaticContact CD2-CD2 3.86Å; F76-H86 HydrophobicContact CE1-CB 3.85Å; F76-H86 HydrophobicContact CE2-CB 3.82Å; F76-H86 AromaticContact CE2-CD2 3.7Å; F76-H86 AromaticContact CE2-CG 3.87Å; F76-H86 HydrophobicContact CG-CB 4.24Å; F76-H86 HydrophobicContact CZ-CB 3.73Å; F76-H86 PolarHBondContact N-O 2.56Å; F76-H86 PolarHBondContact O-N 2.78Å; F76-E187 HydrophobicContact CE1-CB 4.06Å; F76-E187 HydrophobicContact CZ-CB 4.45Å; F76-V188 HydrophobicContact CB-CG2 4.27Å; F76-V188 HydrophobicContact CD1-CG2 3.89Å; F76-V188 HydrophobicContact CD2-CG2 3.74Å; F76-V188 HydrophobicContact CE1-CG2 4.03Å; F76-V188 HydrophobicContact CE2-CB 4.43Å; F76-V188 HydrophobicContact CE2-CG2 3.87Å; F76-V188 HydrophobicContact CG-CG2 3.72Å; F76-V188 HydrophobicContact CZ-CG2 3.99Å
77	S	94.6	Very high	91.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	142.7	175.4	-178.5	0	0	0	0	109.7	V62 D81 A84 V525	V62-S77 PolarHBondContact N-O 2.85Å; V62-S77 PolarHBondContact O-N 3.39Å; S77-D81 PolarHBondContact OG-O 3.32Å; S77-A84 WeakPolarHBondContact CB-O 3.46Å; S77-A84 PolarHBondContact OG-O 3.05Å; S77-V525 VanDerWaalsContact CB-CG1 3.49Å
78	F	91.8	Very high	91.3	Very high	36 Å²	36	30.5 Å²	30.5	16%	0.158	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	139.4	175.8	-65.9	-83.3	0	0	0	109.6	V61 F76 Q80 D81 S82 H86 V188 Q191	V61-F78 HydrophobicContact CG2-CD1 3.66Å; V61-F78 HydrophobicContact CG2-CE1 3.82Å; F76-F78 HydrophobicContact CD2-CE2 4.2Å; F76-F78 HydrophobicContact CD2-CZ 4.48Å; F76-F78 HydrophobicContact CE2-CD2 4.49Å; F76-F78 AromaticContact CE2-CE2 3.68Å; F76-F78 HydrophobicContact CE2-CE2 3.68Å; F76-F78 AromaticContact CE2-CZ 3.96Å; F76-F78 HydrophobicContact CE2-CZ 3.96Å; F78-Q80 PolarHBondContact O-N 3.46Å; F78-Q80 VanDerWaalsContact O-N 3.07Å; F78-D81 CarbonylContact O-C 3.53Å; F78-D81 PolarHBondContact O-N 2.72Å; F78-S82 PolarHBondContact O-N 3.33Å; F78-H86 AromaticContact CD2-NE2 3.83Å; F78-V188 HydrophobicContact CE1-CG1 3.82Å; F78-V188 HydrophobicContact CZ-CG1 3.93Å; F78-Q191 HydrophobicContact CE2-CB 4.23Å; F78-Q191 HydrophobicContact CZ-CB 4.19Å
79	M	88	Confident	90.6	Very high	60 Å²	60	32.5 Å²	32.5	30%	0.296	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.2	178.4	-72.2	-62.8	-68.5	0	0	113.7	C57 F59 S60 L529	C57-M79 HydrophobicContact CB-CE 4.4Å; F59-M79 HydrophobicContact CD2-CG 4.06Å; F59-M79 HydrophobicContact CD2-SD 4.21Å; F59-M79 HydrophobicContact CE2-CE 4.21Å; F59-M79 HydrophobicContact CE2-CG 3.9Å; F59-M79 HydrophobicContact CE2-SD 3.45Å; F59-M79 WeakPolarHBondContact CE2-SD 3.45Å; F59-M79 HydrophobicContact CZ-CE 4.25Å; F59-M79 HydrophobicContact CZ-SD 4.05Å; S60-M79 WeakPolarHBondContact O-CB 3.25Å; S60-M79 WeakPolarHBondContact O-CG 3.47Å; S60-M79 PolarHBondContact O-N 2.96Å; M79-L529 HydrophobicContact SD-CD2 3.44Å; M79-L529 WeakPolarHBondContact SD-CD2 3.01Å
80	Q	84.9	Confident	89.6	Confident	196 Å²	196	36.1 Å²	36.1	92%	0.916	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-22.3	175.5	-59.1	-178.8	20	0	0	113.1	F78	F78-Q80 PolarHBondContact O-N 3.46Å; F78-Q80 VanDerWaalsContact O-N 3.07Å
81	D	85.2	Confident	88.4	Confident	77 Å²	77	38 Å²	38	41%	0.412	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	65.5	177.5	-173.7	2.5	0	0	0	109.1	S77 F78 E83 A84	S77-D81 PolarHBondContact OG-O 3.32Å; F78-D81 CarbonylContact O-C 3.53Å; F78-D81 PolarHBondContact O-N 2.72Å; D81-E83 PolarHBondContact O-N 2.83Å; D81-E83 VanDerWaalsContact O-N 3.14Å; D81-A84 HydrophobicContact CB-CB 4.41Å; D81-A84 VanDerWaalsContact CG-CB 3.47Å; D81-A84 PolarHBondContact O-N 2.81Å; D81-A84 VanDerWaalsContact O-N 3.12Å; D81-A84 PolarHBondContact OD1-N 3.05Å; D81-A84 VanDerWaalsContact OD2-CB 3.28Å; D81-A84 WeakPolarHBondContact OD2-CB 3.45Å
82	S	84.4	Confident	87	Confident	58 Å²	58	42.4 Å²	42.4	41%	0.406	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	-2.3	-175.9	58.3	0	0	0	0	114	F78	F78-S82 PolarHBondContact O-N 3.33Å
83	E	85.1	Confident	85.2	Confident	83 Å²	83	43.7 Å²	43.7	39%	0.388	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-23.5	172.5	-61.1	-166.5	158.7	0	0	111.4	D81 L299 V300 S302	D81-E83 PolarHBondContact O-N 2.83Å; D81-E83 VanDerWaalsContact O-N 3.14Å; E83-L299 CarbonylContact O-C 3.54Å; E83-L299 WeakPolarHBondContact O-CA 3.45Å; E83-V300 WeakPolarHBondContact CB-O 3.37Å; E83-V300 PolarHBondContact O-N 2.74Å; E83-S302 VanDerWaalsContact OE1-CB 3.25Å; E83-S302 WeakPolarHBondContact OE1-CB 3.39Å; E83-S302 PolarHBondContact OE1-OG 3.08Å; E83-S302 PolarHBondContact OE2-OG 2.99Å
84	A	89.8	Confident	83.4	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	118.3	173	0	0	0	0	0	112.5	S77 D81 T297 L299	S77-A84 WeakPolarHBondContact CB-O 3.46Å; S77-A84 PolarHBondContact OG-O 3.05Å; D81-A84 HydrophobicContact CB-CB 4.41Å; D81-A84 VanDerWaalsContact CG-CB 3.47Å; D81-A84 PolarHBondContact O-N 2.81Å; D81-A84 VanDerWaalsContact O-N 3.12Å; D81-A84 PolarHBondContact OD1-N 3.05Å; D81-A84 VanDerWaalsContact OD2-CB 3.28Å; D81-A84 WeakPolarHBondContact OD2-CB 3.45Å; A84-T297 HydrophobicContact CB-CG2 3.83Å; A84-L299 HydrophobicContact CB-CD2 4.2Å
85	I	92.1	Very high	81.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	114.8	167.7	-59.7	-179.1	0	0	0	108.9	A75 M87 T297 F298 V300 K522 V525 L526	A75-I85 HydrophobicContact CB-CG2 3.91Å; I85-M87 HydrophobicContact CG2-SD 4.12Å; I85-T297 CarbonylContact O-C 3.48Å; I85-T297 WeakPolarHBondContact O-CA 3.46Å; I85-F298 PolarHBondContact N-O 2.92Å; I85-F298 PolarHBondContact O-N 3.26Å; I85-V300 HydrophobicContact CD1-CG2 3.55Å; I85-V300 HydrophobicContact CG1-CG2 3.98Å; I85-K522 HydrophobicContact CD1-CB 4.2Å; I85-V525 HydrophobicContact CD1-CB 4.29Å; I85-V525 HydrophobicContact CD1-CG1 4.4Å; I85-V525 HydrophobicContact CG1-CG1 4.15Å; I85-V525 HydrophobicContact CG2-CB 4.49Å; I85-V525 HydrophobicContact CG2-CG2 4.19Å; I85-L526 HydrophobicContact CD1-CD2 4.26Å; I85-L526 HydrophobicContact CD1-CG 4.15Å
86	H	91.8	Very high	79.1	Confident	16 Å²	16	55.4 Å²	55.4	7%	0.074	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	115.7	176.5	-51.5	-85.8	0	0	0	109.8	A75 F76 F78 Q191 T297	A75-H86 CarbonylContact C-O 3.42Å; A75-H86 WeakPolarHBondContact CA-O 3.3Å; A75-H86 WeakPolarHBondContact CB-O 3.47Å; F76-H86 HydrophobicContact CD1-CB 4.11Å; F76-H86 HydrophobicContact CD2-CB 4.08Å; F76-H86 AromaticContact CD2-CD2 3.86Å; F76-H86 HydrophobicContact CE1-CB 3.85Å; F76-H86 HydrophobicContact CE2-CB 3.82Å; F76-H86 AromaticContact CE2-CD2 3.7Å; F76-H86 AromaticContact CE2-CG 3.87Å; F76-H86 HydrophobicContact CG-CB 4.24Å; F76-H86 HydrophobicContact CZ-CB 3.73Å; F76-H86 PolarHBondContact N-O 2.56Å; F76-H86 PolarHBondContact O-N 2.78Å; F78-H86 AromaticContact CD2-NE2 3.83Å; H86-Q191 PolarHBondContact ND1-OE1 2.9Å; H86-T297 PolarHBondContact ND1-OG1 3.47Å; H86-T297 VanDerWaalsContact ND1-OG1 3.15Å
87	M	91.1	Very high	76.6	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	147.4	173.8	-53.5	-59.3	-63.5	0	0	110.8	A75 I85 Q101 R296 F298 L518 L521 K522	A75-M87 HydrophobicContact CB-CE 4.16Å; A75-M87 HydrophobicContact CB-SD 3.68Å; I85-M87 HydrophobicContact CG2-SD 4.12Å; M87-Q101 HydrophobicContact CB-CG 4.31Å; M87-R296 PolarHBondContact N-O 3.37Å; M87-F298 HydrophobicContact CG-CD2 3.55Å; M87-F298 HydrophobicContact CG-CE2 3.41Å; M87-F298 VanDerWaalsContact CG-CE2 3.41Å; M87-F298 HydrophobicContact SD-CD2 4.24Å; M87-F298 HydrophobicContact SD-CE2 4.38Å; M87-L518 HydrophobicContact CE-CB 4.35Å; M87-L518 HydrophobicContact CE-CD1 4.28Å; M87-L518 HydrophobicContact CE-CD2 4Å; M87-L518 HydrophobicContact CE-CG 4.45Å; M87-L521 HydrophobicContact CE-CD2 3.5Å; M87-L521 HydrophobicContact CE-CG 3.95Å; M87-K522 HydrophobicContact SD-CG 4.05Å
88	M	89.1	Confident	74.6	Confident	5 Å²	5	62.7 Å²	62.7	3%	0.025	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-48.9	141	176	65.3	175.9	-122.8	0	0	113.2	G73 Y74 E187	G73-M88 WeakPolarHBondContact CA-SD 3.33Å; Y74-M88 HydrophobicContact CD1-CB 4.13Å; Y74-M88 HydrophobicContact CD1-SD 4.46Å; Y74-M88 HydrophobicContact CD2-CB 3.8Å; Y74-M88 HydrophobicContact CE1-CB 3.89Å; Y74-M88 HydrophobicContact CE2-CB 3.49Å; Y74-M88 VanDerWaalsContact CE2-CB 3.49Å; Y74-M88 HydrophobicContact CG-CB 4.08Å; Y74-M88 WeakPolarHBondContact O-CB 3.32Å; Y74-M88 PolarHBondContact O-N 3.38Å; M88-E187 WeakPolarHBondContact CA-OE1 3.19Å
89	K	79.4	Confident	72.8	Confident	53 Å²	53	63.8 Å²	63.8	23%	0.23	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-63.6	157.3	164.5	-69.2	164.3	-159.8	170.1	0	109.2	W91 H183 E187 D190	K89-W91 PolarHBondContact O-N 3.28Å; K89-H183 PolarHBondContact O-CE1 3.32Å; K89-E187 WeakPolarHBondContact CB-OE1 3.2Å; K89-E187 HydrophobicContact CD-CG 3.8Å; K89-E187 VanDerWaalsContact CD-OE2 3.29Å; K89-E187 WeakPolarHBondContact CD-OE2 3.28Å; K89-E187 WeakPolarHBondContact CE-OE2 3.46Å; K89-E187 HydrophobicContact CG-CG 4.36Å; K89-E187 WeakPolarHBondContact CG-OE2 3.19Å; K89-E187 PolarHBondContact N-OE1 3.23Å; K89-E187 PolarHBondContact N-OE2 3.18Å; K89-E187 IonicContact NZ-OE2 2.72Å; K89-D190 IonicContact NZ-OD2 2.67Å; K89-D190 PolarHBondContact NZ-OD2 3.44Å
90	R	71.8	Confident	71.7	Confident	86 Å²	86	62.9 Å²	62.9	33%	0.325	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-68.8	120.2	165.9	170.5	173.4	170.7	-179.6	-9	108.6	G93 G94 D95 V98	R90-G93 PolarHBondContact NE-O 3Å; R90-G93 PolarHBondContact NH2-O 3.09Å; R90-G94 VanDerWaalsContact NH2-C 3.26Å; R90-G94 PolarHBondContact NH2-O 3.29Å; R90-D95 PolarHBondContact NH1-O 3.03Å; R90-V98 PolarHBondContact NH1-O 3.3Å
91	W	67.6	Low	71.5	Confident	81 Å²	81	54.7 Å²	54.7	31%	0.307	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-82.9	171	161.6	-159.2	-99.7	0	0	0	110.4	K89 F179 H183 K186	K89-W91 PolarHBondContact O-N 3.28Å; W91-F179 HydrophobicContact CB-CZ 4.37Å; W91-F179 AromaticContact CD1-CE2 3.98Å; W91-F179 AromaticContact CD1-CZ 3.99Å; W91-F179 HydrophobicContact CG-CE2 4.42Å; W91-F179 HydrophobicContact CG-CZ 4.15Å; W91-H183 AromaticContact CE3-CD2 3.25Å; W91-H183 AromaticContact CE3-CE1 3.95Å; W91-H183 AromaticContact CE3-CG 3.94Å; W91-H183 AromaticContact CE3-NE2 3.27Å; W91-H183 VanDerWaalsContact CE3-NE2 3.27Å; W91-H183 AromaticContact CZ3-CD2 3.42Å; W91-H183 VanDerWaalsContact CZ3-CD2 3.42Å; W91-H183 WeakPolarHBondContact CZ3-CD2 3.43Å; W91-H183 AromaticContact CZ3-NE2 3.8Å; W91-K186 HydrophobicContact CH2-CD 4.43Å; W91-K186 HydrophobicContact CZ3-CD 4.32Å
92	E	62.4	Low	71.6	Confident	138 Å²	138	52.9 Å²	52.9	65%	0.645	31%	0.309	S	S	*	.	S	Bend	trans	-52.4	148.9	-170.3	-62.2	166.5	152.1	0	0	114.7	A121	E92-A121 PolarHBondContact O-N 2.85Å
93	G	58.1	Low	71.9	Confident	26 Å²	26	50.7 Å²	50.7	27%	0.268	29%	0.294	S	S	.	.			trans	92.9	172.4	-176.5	0	0	0	0	0	115.2	R90 D124	R90-G93 PolarHBondContact NE-O 3Å; R90-G93 PolarHBondContact NH2-O 3.09Å; G93-D124 WeakPolarHBondContact CA-OD2 3.45Å
94	G	55.7	Low	72.2	Confident	18 Å²	18	48 Å²	48	19%	0.186	28%	0.283	C	S	.	.	S	Bend	trans	87.1	174.4	174.4	0	0	0	0	0	117.8	R90 D124	R90-G94 VanDerWaalsContact NH2-C 3.26Å; R90-G94 PolarHBondContact NH2-O 3.29Å; G94-D124 PolarHBondContact N-OD2 3.19Å
95	D	53.2	Low	72.4	Confident	106 Å²	106	48 Å²	48	57%	0.567	28%	0.284	S	S	*	.			trans	-63.8	125.5	-172.2	-65.9	-45.5	0	0	0	113.7	R90 G97 V98	R90-D95 PolarHBondContact NH1-O 3.03Å; D95-G97 PolarHBondContact O-N 2.93Å; D95-V98 HydrophobicContact CB-CB 4.41Å; D95-V98 HydrophobicContact CB-CG2 3.89Å; D95-V98 PolarHBondContact O-N 2.93Å
96	P	49.1	Very low	72.6	Confident	123 Å²	123	48.1 Å²	48.1	80%	0.799	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	136.2	175.7	-26.5	35.5	0	0	0	112.9	V98	P96-V98 VanDerWaalsContact C-N 3.3Å; P96-V98 PolarHBondContact O-N 3.02Å
97	G	43.8	Very low	72.8	Confident	83 Å²	83	47.4 Å²	47.4	86%	0.856	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	-5.3	178.3	0	0	0	0	0	116.1	D95	D95-G97 PolarHBondContact O-N 2.93Å
98	V	52.6	Low	73.1	Confident	69 Å²	69	47.3 Å²	47.3	42%	0.418	28%	0.281	S	S	.	.			trans	-94.7	124.4	173	-169.8	0	0	0	0	110.6	R90 D95 P96 N100	R90-V98 PolarHBondContact NH1-O 3.3Å; D95-V98 HydrophobicContact CB-CB 4.41Å; D95-V98 HydrophobicContact CB-CG2 3.89Å; D95-V98 PolarHBondContact O-N 2.93Å; P96-V98 VanDerWaalsContact C-N 3.3Å; P96-V98 PolarHBondContact O-N 3.02Å; V98-N100 VanDerWaalsContact CG1-OD1 3.3Å; V98-N100 WeakPolarHBondContact CG1-OD1 3.33Å; V98-N100 PolarHBondContact O-N 3.22Å
99	A	53	Low	73.6	Confident	59 Å²	59	47.1 Å²	47.1	49%	0.488	28%	0.28	S	S	.	.			trans	-84.5	80.7	175.5	0	0	0	0	0	110.9	Q101	A99-Q101 PolarHBondContact O-N 2.88Å
100	N	66.8	Low	74.4	Confident	41 Å²	41	45.7 Å²	45.7	22%	0.219	28%	0.276	C	S	.	.			trans	-75.7	106.7	175.7	-68.4	-28	0	0	0	110.5	V98 K102 F120	V98-N100 VanDerWaalsContact CG1-OD1 3.3Å; V98-N100 WeakPolarHBondContact CG1-OD1 3.33Å; V98-N100 PolarHBondContact O-N 3.22Å; N100-K102 PolarHBondContact O-N 2.82Å; N100-F120 HydrophobicContact CB-CE2 3.95Å; N100-F120 HydrophobicContact CB-CZ 4.34Å; N100-F120 WeakPolarHBondContact ND2-CE2 3.22Å; N100-F120 WeakPolarHBondContact ND2-CZ 3.42Å
101	Q	78.7	Confident	75.5	Confident	25 Å²	25	44.1 Å²	44.1	12%	0.117	28%	0.276	C	S	.	.	S	Bend	trans	-85.8	7.7	176.2	-67.8	179.6	-15.4	0	0	113.2	M87 A99 L518	M87-Q101 HydrophobicContact CB-CG 4.31Å; A99-Q101 PolarHBondContact O-N 2.88Å; Q101-L518 HydrophobicContact CB-CD1 4.3Å; Q101-L518 HydrophobicContact CB-CD2 4.08Å
102	K	88.6	Confident	76.8	Confident	38 Å²	38	44.2 Å²	44.2	17%	0.165	28%	0.283	C	S	.	.	S	Bend	trans	-143.6	152.3	167	-75	-175.1	169.5	176.9	0	109.1	D66 S72 N100 G517 L518	D66-K102 VanDerWaalsContact OD2-CE 3.31Å; D66-K102 WeakPolarHBondContact OD2-CE 3.49Å; D66-K102 IonicContact OD2-NZ 3.56Å; D66-K102 PolarHBondContact OD2-NZ 3.38Å; S72-K102 WeakPolarHBondContact O-CA 3.36Å; N100-K102 PolarHBondContact O-N 2.82Å; K102-G517 WeakPolarHBondContact CE-O 3.17Å; K102-G517 PolarHBondContact NZ-O 2.99Å; K102-L518 HydrophobicContact CD-CD2 4.38Å; K102-L518 HydrophobicContact CG-CD2 4.17Å
103	S	90.1	Very high	78.3	Confident	12 Å²	12	41.3 Å²	41.3	8%	0.084	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	152.2	171.8	-69	0	0	0	0	110.6	S71 S72	S71-S103 CarbonylContact C-O 3.57Å; S71-S103 WeakPolarHBondContact CA-O 3.45Å; S71-S103 WeakPolarHBondContact CB-O 3.45Å; S72-S103 PolarHBondContact N-O 2.84Å; S72-S103 PolarHBondContact O-N 3.3Å; S72-S103 VanDerWaalsContact O-O 3.14Å
104	P	92	Very high	80.2	Confident	26 Å²	26	48.1 Å²	48.1	17%	0.169	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	143.4	170	-25.6	34.4	0	0	0	111.7	T70 C106 F118 G119 F120	T70-P104 WeakPolarHBondContact O-CA 3.5Å; P104-C106 PolarHBondContact O-N 2.98Å; P104-F118 WeakPolarHBondContact O-CE1 3.37Å; P104-G119 WeakPolarHBondContact O-CA 3.35Å; P104-F120 VanDerWaalsContact CD-CE2 3.42Å; P104-F120 VanDerWaalsContact CD-CZ 3.47Å; P104-F120 HydrophobicContact CG-CD1 3.98Å; P104-F120 HydrophobicContact CG-CE1 3.7Å; P104-F120 HydrophobicContact CG-CE2 4.3Å; P104-F120 HydrophobicContact CG-CG 4.39Å; P104-F120 HydrophobicContact CG-CZ 3.87Å
105	T	94.6	Very high	82.2	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.018	29%	0.294	C	S	.	.	S	Bend	trans	-83.7	73	175.6	-45.6	0	0	0	0	109.5	F67 G68 T69 T70 S71 S72 F118 K142 F143	F67-T105 HydrophobicContact CE1-CG2 4.46Å; G68-T105 WeakPolarHBondContact O-CB 3.05Å; G68-T105 WeakPolarHBondContact O-CG2 3.07Å; G68-T105 PolarHBondContact O-OG1 3.21Å; T69-T105 WeakPolarHBondContact O-CB 3.32Å; T70-T105 PolarHBondContact O-N 2.85Å; S71-T105 VanDerWaalsContact CA-OG1 3.26Å; S71-T105 WeakPolarHBondContact CA-OG1 3.49Å; S71-T105 PolarHBondContact N-OG1 2.94Å; S71-T105 VanDerWaalsContact N-OG1 3.14Å; S72-T105 PolarHBondContact N-OG1 2.6Å; S72-T105 PolarHBondContact OG-OG1 2.85Å; S72-T105 VanDerWaalsContact OG-OG1 3.04Å; T105-F118 HydrophobicContact CG2-CZ 4.35Å; T105-K142 PolarHBondContact O-N 2.83Å; T105-F143 HydrophobicContact CG2-CE1 4.04Å; T105-F143 HydrophobicContact CG2-CZ 3.98Å
106	C	95	Very high	84.3	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.014	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	152	170.8	58.9	0	0	0	0	111.2	P104 F118 G119 Y139 F140 D141	P104-C106 PolarHBondContact O-N 2.98Å; C106-F118 WeakPolarHBondContact O-CD2 3.35Å; C106-F118 WeakPolarHBondContact O-CE2 3.38Å; C106-G119 PolarHBondContact O-N 2.9Å; C106-G119 PolarHBondContact SG-O 2.92Å; C106-Y139 HydrophobicContact CB-CE1 4.41Å; C106-Y139 HydrophobicContact CB-CE2 3.96Å; C106-Y139 VanDerWaalsContact CB-OH 3.31Å; C106-Y139 WeakPolarHBondContact CB-OH 3.47Å; C106-Y139 PolarHBondContact SG-OH 2.94Å; C106-Y139 VanDerWaalsContact SG-OH 3.39Å; C106-F140 CarbonylContact C-O 3.59Å; C106-F140 WeakPolarHBondContact CA-O 3.45Å; C106-F140 WeakPolarHBondContact CB-O 3.28Å; C106-D141 HydrophobicContact CB-CB 4.02Å
107	L	97	Very high	86.5	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	139.5	-173.2	-175.5	149.8	0	0	0	109	L109 F115 F118 F140 F143 V172 H175 A176	L107-L109 HydrophobicContact CD2-CD2 3.49Å; L107-L109 VanDerWaalsContact CD2-CD2 3.49Å; L107-L109 HydrophobicContact CD2-CG 3.68Å; L107-F115 HydrophobicContact CD1-CD2 4.12Å; L107-F115 HydrophobicContact CD1-CE2 4.05Å; L107-F115 HydrophobicContact CG-CD2 4.23Å; L107-F115 HydrophobicContact CG-CE2 4.14Å; L107-F118 HydrophobicContact CB-CD2 4.12Å; L107-F118 HydrophobicContact CD1-CD2 4.23Å; L107-F118 HydrophobicContact CG-CD2 4.48Å; L107-F140 HydrophobicContact CD2-CD2 4.24Å; L107-F140 PolarHBondContact N-O 2.96Å; L107-F140 PolarHBondContact O-N 2.9Å; L107-F143 HydrophobicContact CB-CE1 4.12Å; L107-V172 HydrophobicContact CD1-CG1 4.34Å; L107-V172 WeakPolarHBondContact CD1-O 3.36Å; L107-V172 HydrophobicContact CD2-CG1 4.33Å; L107-H175 HydrophobicContact CD1-CB 3.83Å; L107-A176 HydrophobicContact CD1-CB 3.9Å
108	L	97.3	Very high	88.9	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.7	176.7	-176.3	66.1	0	0	0	109.5	H116 S117 A122 F125 Y126 W137 L138 Y139	L108-H116 HydrophobicContact CG-CB 4.43Å; L108-H116 WeakPolarHBondContact O-CB 3.43Å; L108-H116 PolarHBondContact O-N 2.93Å; L108-S117 PolarHBondContact N-O 2.84Å; L108-S117 PolarHBondContact O-N 2.83Å; L108-A122 HydrophobicContact CB-CB 3.85Å; L108-F125 HydrophobicContact CD2-CB 4.43Å; L108-F125 HydrophobicContact CD2-CD1 3.52Å; L108-F125 HydrophobicContact CD2-CE1 4.21Å; L108-F125 HydrophobicContact CD2-CG 4.34Å; L108-Y126 HydrophobicContact CD1-CD2 3.75Å; L108-Y126 HydrophobicContact CD1-CE2 4.49Å; L108-Y126 HydrophobicContact CD1-CG 4.35Å; L108-W137 HydrophobicContact CD1-CB 4.16Å; L108-W137 HydrophobicContact CD1-CE3 3.85Å; L108-W137 HydrophobicContact CD2-CE3 3.76Å; L108-W137 HydrophobicContact CD2-CZ3 3.87Å; L108-W137 HydrophobicContact CG-CE3 3.69Å; L108-W137 HydrophobicContact CG-CZ3 4.04Å; L108-L138 WeakPolarHBondContact CA-O 3.42Å; L108-Y139 HydrophobicContact CD1-CD2 4.37Å
109	L	98.1	Very high	90.9	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	148.2	164.5	-49.7	175	0	0	0	110.4	L107 L113 R114 F115 L138 F140 V167	L107-L109 HydrophobicContact CD2-CD2 3.49Å; L107-L109 VanDerWaalsContact CD2-CD2 3.49Å; L107-L109 HydrophobicContact CD2-CG 3.68Å; L109-L113 HydrophobicContact CD1-CD2 4.39Å; L109-R114 CarbonylContact C-O 3.6Å; L109-R114 WeakPolarHBondContact CA-O 3.43Å; L109-R114 WeakPolarHBondContact CB-O 3.04Å; L109-F115 HydrophobicContact CD2-CB 4.36Å; L109-L138 HydrophobicContact CB-CB 4Å; L109-L138 HydrophobicContact CB-CD1 4.27Å; L109-L138 PolarHBondContact N-O 3.49Å; L109-L138 PolarHBondContact O-N 3.37Å; L109-F140 HydrophobicContact CD1-CE2 4Å; L109-F140 HydrophobicContact CG-CE2 4.2Å; L109-V167 HydrophobicContact CD1-CG1 4.24Å
110	T	96.8	Very high	92.6	Very high	23 Å²	23	34.9 Å²	34.9	14%	0.141	17%	0.171	C	C	.	.			trans	-61.6	163.6	166.6	60.5	0	0	0	0	110.9	D112 L113 R114 H116 W137	T110-D112 VanDerWaalsContact CB-OD1 3.29Å; T110-D112 WeakPolarHBondContact CB-OD1 3.41Å; T110-D112 PolarHBondContact O-N 3.17Å; T110-D112 VanDerWaalsContact O-N 3.07Å; T110-D112 PolarHBondContact OG1-OD1 2.75Å; T110-L113 PolarHBondContact O-N 2.88Å; T110-R114 HydrophobicContact CG2-CB 4.45Å; T110-R114 PolarHBondContact N-O 3.44Å; T110-R114 WeakPolarHBondContact OG1-CB 3.45Å; T110-R114 PolarHBondContact OG1-N 2.91Å; T110-R114 PolarHBondContact OG1-O 3.22Å; T110-H116 HydrophobicContact CG2-CB 4.26Å; T110-W137 HydrophobicContact CG2-CH2 3.96Å; T110-W137 HydrophobicContact CG2-CZ3 3.83Å
111	P	94.7	Very high	93.8	Very high	52 Å²	52	34 Å²	34	34%	0.338	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.5	177.7	-27.7	36.2	0	0	0	114.7	H136 W137 R165	P111-H136 HydrophobicContact CB-CB 4.37Å; P111-H136 HydrophobicContact CG-CB 4.01Å; P111-W137 HydrophobicContact CG-CG 4.41Å; P111-R165 PolarHBondContact O-NH1 2.79Å; P111-R165 VanDerWaalsContact O-NH1 3.12Å; P111-R165 PolarHBondContact O-NH2 2.85Å
112	D	95.1	Very high	94.5	Very high	84 Å²	84	32.9 Å²	32.9	45%	0.449	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	25.6	176.6	75.6	-40.6	0	0	0	114.3	T110 R114	T110-D112 VanDerWaalsContact CB-OD1 3.29Å; T110-D112 WeakPolarHBondContact CB-OD1 3.41Å; T110-D112 PolarHBondContact O-N 3.17Å; T110-D112 VanDerWaalsContact O-N 3.07Å; T110-D112 PolarHBondContact OG1-OD1 2.75Å; D112-R114 VanDerWaalsContact C-N 3.31Å; D112-R114 PolarHBondContact O-N 3.41Å; D112-R114 IonicContact OD1-NE 2.78Å; D112-R114 IonicContact OD2-CZ 3.99Å; D112-R114 IonicContact OD2-NE 3.69Å; D112-R114 PolarHBondContact OD2-NE 2.87Å; D112-R114 IonicContact OD2-NH2 3.39Å; D112-R114 PolarHBondContact OD2-NH2 2.91Å
113	L	95.1	Very high	94.5	Very high	76 Å²	76	34.1 Å²	34.1	40%	0.398	17%	0.168	S	C	.	.	S	Bend	trans	67.8	14.8	171.4	-55.6	170.8	0	0	0	116.1	L109 T110 L138 V167	L109-L113 HydrophobicContact CD1-CD2 4.39Å; T110-L113 PolarHBondContact O-N 2.88Å; L113-L138 HydrophobicContact CD2-CD1 3.47Å; L113-L138 VanDerWaalsContact CD2-CD1 3.47Å; L113-V167 HydrophobicContact CD2-CB 4.48Å; L113-V167 HydrophobicContact CD2-CG1 4.16Å; L113-V167 HydrophobicContact CD2-CG2 3.49Å; L113-V167 VanDerWaalsContact CD2-CG2 3.49Å
114	R	96.9	Very high	94.5	Very high	169 Å²	169	35.6 Å²	35.6	64%	0.638	18%	0.175	S	C	*	.			trans	-84.5	143.7	175.2	-53.1	-173.3	-159	-179.7	10.2	111	L109 T110 D112 H116	L109-R114 CarbonylContact C-O 3.6Å; L109-R114 WeakPolarHBondContact CA-O 3.43Å; L109-R114 WeakPolarHBondContact CB-O 3.04Å; T110-R114 HydrophobicContact CG2-CB 4.45Å; T110-R114 PolarHBondContact N-O 3.44Å; T110-R114 WeakPolarHBondContact OG1-CB 3.45Å; T110-R114 PolarHBondContact OG1-N 2.91Å; T110-R114 PolarHBondContact OG1-O 3.22Å; D112-R114 VanDerWaalsContact C-N 3.31Å; D112-R114 PolarHBondContact O-N 3.41Å; D112-R114 IonicContact OD1-NE 2.78Å; D112-R114 IonicContact OD2-CZ 3.99Å; D112-R114 IonicContact OD2-NE 3.69Å; D112-R114 PolarHBondContact OD2-NE 2.87Å; D112-R114 IonicContact OD2-NH2 3.39Å; D112-R114 PolarHBondContact OD2-NH2 2.91Å; R114-H116 PolarHBondContact O-N 2.84Å
115	F	97.5	Very high	94.6	Very high	66 Å²	66	38.1 Å²	38.1	29%	0.289	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	123.8	169.5	179.1	-101.3	0	0	0	111	L107 L109 S117 F118 H175 F179	L107-F115 HydrophobicContact CD1-CD2 4.12Å; L107-F115 HydrophobicContact CD1-CE2 4.05Å; L107-F115 HydrophobicContact CG-CD2 4.23Å; L107-F115 HydrophobicContact CG-CE2 4.14Å; L109-F115 HydrophobicContact CD2-CB 4.36Å; F115-S117 VanDerWaalsContact CZ-C 3.48Å; F115-F118 HydrophobicContact CE2-CB 4.08Å; F115-F118 HydrophobicContact CZ-CB 3.98Å; F115-H175 HydrophobicContact CB-CB 4.37Å; F115-H175 HydrophobicContact CD2-CB 3.85Å; F115-H175 HydrophobicContact CG-CB 4.41Å; F115-F179 HydrophobicContact CE1-CD2 4.29Å; F115-F179 HydrophobicContact CE2-CB 4.41Å; F115-F179 HydrophobicContact CZ-CB 3.87Å; F115-F179 AromaticContact CZ-CD2 3.85Å; F115-F179 HydrophobicContact CZ-CD2 3.85Å; F115-F179 HydrophobicContact CZ-CG 4.11Å
116	H	96.8	Very high	94.4	Very high	74 Å²	74	38 Å²	38	34%	0.343	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-54.6	171.2	-175.6	-93.7	0	0	0	110.9	L108 T110 R114 F125 W137	L108-H116 HydrophobicContact CG-CB 4.43Å; L108-H116 WeakPolarHBondContact O-CB 3.43Å; L108-H116 PolarHBondContact O-N 2.93Å; T110-H116 HydrophobicContact CG2-CB 4.26Å; R114-H116 PolarHBondContact O-N 2.84Å; H116-F125 AromaticContact CE1-CD1 3.72Å; H116-F125 AromaticContact CE1-CD2 3.57Å; H116-F125 AromaticContact CE1-CE1 3.77Å; H116-F125 AromaticContact CE1-CE2 3.63Å; H116-F125 AromaticContact CE1-CG 3.61Å; H116-F125 AromaticContact CE1-CZ 3.73Å; H116-F125 AromaticContact NE2-CE2 3.79Å; H116-F125 AromaticContact NE2-CZ 3.68Å; H116-W137 HydrophobicContact CB-CZ3 3.81Å; H116-W137 AromaticContact CD2-CH2 3.54Å; H116-W137 AromaticContact CD2-CZ3 3.66Å; H116-W137 AromaticContact CG-CH2 3.99Å; H116-W137 AromaticContact CG-CZ3 3.62Å; H116-W137 AromaticContact NE2-CH2 3.88Å
117	S	96.1	Very high	94	Very high	12 Å²	12	42.6 Å²	42.6	8%	0.084	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	160.3	-169.9	48.1	0	0	0	0	112.6	L108 F115 A122	L108-S117 PolarHBondContact N-O 2.84Å; L108-S117 PolarHBondContact O-N 2.83Å; F115-S117 VanDerWaalsContact CZ-C 3.48Å; S117-A122 WeakPolarHBondContact O-CB 3.21Å; S117-A122 VanDerWaalsContact OG-CA 3.24Å; S117-A122 WeakPolarHBondContact OG-CA 3.48Å
118	F	95.3	Very high	93.7	Very high	5 Å²	5	48.8 Å²	48.8	2%	0.022	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	152.9	175.2	-174.8	-90.2	0	0	0	111.2	P104 T105 C106 L107 F115 A176 F179 F180	P104-F118 WeakPolarHBondContact O-CE1 3.37Å; T105-F118 HydrophobicContact CG2-CZ 4.35Å; C106-F118 WeakPolarHBondContact O-CD2 3.35Å; C106-F118 WeakPolarHBondContact O-CE2 3.38Å; L107-F118 HydrophobicContact CB-CD2 4.12Å; L107-F118 HydrophobicContact CD1-CD2 4.23Å; L107-F118 HydrophobicContact CG-CD2 4.48Å; F115-F118 HydrophobicContact CE2-CB 4.08Å; F115-F118 HydrophobicContact CZ-CB 3.98Å; F118-A176 HydrophobicContact CD2-CB 3.97Å; F118-A176 HydrophobicContact CE2-CB 3.7Å; F118-F179 HydrophobicContact CB-CB 4.34Å; F118-F179 HydrophobicContact CB-CD1 3.69Å; F118-F179 HydrophobicContact CB-CD2 4.07Å; F118-F179 HydrophobicContact CB-CE1 3.98Å; F118-F179 HydrophobicContact CB-CE2 4.32Å; F118-F179 HydrophobicContact CB-CG 3.74Å; F118-F179 HydrophobicContact CB-CZ 4.28Å; F118-F179 AromaticContact CD1-CD1 3.69Å; F118-F179 HydrophobicContact CD1-CD1 3.69Å; F118-F179 AromaticContact CD1-CE1 3.66Å; F118-F179 HydrophobicContact CD1-CE1 3.66Å; F118-F179 AromaticContact CG-CD1 3.8Å; F118-F179 HydrophobicContact CG-CD1 3.8Å; F118-F179 HydrophobicContact CG-CE1 4.13Å; F118-F179 HydrophobicContact CG-CG 4.27Å; F118-F180 HydrophobicContact CD1-CZ 4.12Å; F118-F180 HydrophobicContact CE1-CE1 4.22Å; F118-F180 AromaticContact CE1-CE2 3.83Å; F118-F180 HydrophobicContact CE1-CE2 3.83Å; F118-F180 AromaticContact CE1-CZ 3.39Å; F118-F180 HydrophobicContact CE1-CZ 3.39Å; F118-F180 AromaticContact CZ-CE2 3.81Å; F118-F180 HydrophobicContact CZ-CE2 3.81Å; F118-F180 AromaticContact CZ-CZ 3.82Å; F118-F180 HydrophobicContact CZ-CZ 3.82Å
119	G	92.9	Very high	93.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	-136.1	170.7	0	0	0	0	0	114.2	P104 C106 A121 A122 R123	P104-G119 WeakPolarHBondContact O-CA 3.35Å; C106-G119 PolarHBondContact O-N 2.9Å; C106-G119 PolarHBondContact SG-O 2.92Å; G119-A121 PolarHBondContact O-N 2.9Å; G119-A122 WeakPolarHBondContact O-CB 3.25Å; G119-A122 PolarHBondContact O-N 3.31Å; G119-A122 VanDerWaalsContact O-N 3.1Å; G119-R123 PolarHBondContact O-N 3.36Å
120	F	89.2	Confident	92.8	Very high	23 Å²	23	55.2 Å²	55.2	10%	0.101	27%	0.271	C	S	.	.	H	α-helix	trans	-57	-47.4	-176.9	-67.6	-71.5	0	0	0	112.1	N100 P104 A122 R123 D124	N100-F120 HydrophobicContact CB-CE2 3.95Å; N100-F120 HydrophobicContact CB-CZ 4.34Å; N100-F120 WeakPolarHBondContact ND2-CE2 3.22Å; N100-F120 WeakPolarHBondContact ND2-CZ 3.42Å; P104-F120 VanDerWaalsContact CD-CE2 3.42Å; P104-F120 VanDerWaalsContact CD-CZ 3.47Å; P104-F120 HydrophobicContact CG-CD1 3.98Å; P104-F120 HydrophobicContact CG-CE1 3.7Å; P104-F120 HydrophobicContact CG-CE2 4.3Å; P104-F120 HydrophobicContact CG-CG 4.39Å; P104-F120 HydrophobicContact CG-CZ 3.87Å; F120-A122 VanDerWaalsContact C-N 3.28Å; F120-A122 PolarHBondContact O-N 2.86Å; F120-R123 WeakPolarHBondContact O-CB 3Å; F120-R123 PolarHBondContact O-N 2.57Å; F120-D124 WeakPolarHBondContact O-CB 3.42Å; F120-D124 PolarHBondContact O-N 2.95Å
121	A	91.5	Very high	92.1	Very high	24 Å²	24	57.2 Å²	57.2	20%	0.198	29%	0.285	C	S	.	.	H	α-helix	trans	-55.7	-39.3	175.4	0	0	0	0	0	113.5	E92 G119 F125	E92-A121 PolarHBondContact O-N 2.85Å; G119-A121 PolarHBondContact O-N 2.9Å; A121-F125 WeakPolarHBondContact O-CB 3.43Å; A121-F125 PolarHBondContact O-N 2.88Å
122	A	93.6	Very high	91.7	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66.1	-38.6	176	0	0	0	0	0	113.1	L108 S117 G119 F120 Y126	L108-A122 HydrophobicContact CB-CB 3.85Å; S117-A122 WeakPolarHBondContact O-CB 3.21Å; S117-A122 VanDerWaalsContact OG-CA 3.24Å; S117-A122 WeakPolarHBondContact OG-CA 3.48Å; G119-A122 WeakPolarHBondContact O-CB 3.25Å; G119-A122 PolarHBondContact O-N 3.31Å; G119-A122 VanDerWaalsContact O-N 3.1Å; F120-A122 VanDerWaalsContact C-N 3.28Å; F120-A122 PolarHBondContact O-N 2.86Å; A122-Y126 WeakPolarHBondContact O-CB 3.34Å; A122-Y126 PolarHBondContact O-N 2.91Å
123	R	89.9	Confident	91.3	Very high	65 Å²	65	62.1 Å²	62.1	25%	0.245	30%	0.3	C	S	.	.	H	α-helix	trans	-73	-47.3	180	-165.1	-167.9	87.5	156.3	10.1	111.8	G119 F120 Y126 H127 V386 I390	G119-R123 PolarHBondContact O-N 3.36Å; F120-R123 WeakPolarHBondContact O-CB 3Å; F120-R123 PolarHBondContact O-N 2.57Å; R123-Y126 PolarHBondContact O-N 3.42Å; R123-H127 WeakPolarHBondContact O-CB 3.11Å; R123-H127 PolarHBondContact O-N 3.3Å; R123-V386 HydrophobicContact CG-CG1 4.5Å; R123-I390 HydrophobicContact CG-CD1 3.61Å; R123-I390 HydrophobicContact CG-CG1 4.48Å; R123-I390 VanDerWaalsContact NH1-CG2 3.33Å
124	D	89.8	Confident	90.9	Very high	42 Å²	42	58.6 Å²	58.6	23%	0.225	28%	0.282	C	S	.	.	H	α-helix	trans	-69.9	-43.2	-175.3	-58.7	-16.7	0	0	0	109.3	G93 G94 F120 Y126 H127 D128	G93-D124 WeakPolarHBondContact CA-OD2 3.45Å; G94-D124 PolarHBondContact N-OD2 3.19Å; F120-D124 WeakPolarHBondContact O-CB 3.42Å; F120-D124 PolarHBondContact O-N 2.95Å; D124-Y126 PolarHBondContact O-N 3.05Å; D124-H127 WeakPolarHBondContact O-CB 3.46Å; D124-H127 PolarHBondContact O-N 3.05Å; D124-D128 PolarHBondContact O-N 3.31Å; D124-D128 VanDerWaalsContact O-N 3.13Å
125	F	92.6	Very high	90.4	Very high	79 Å²	79	54.1 Å²	54.1	35%	0.346	27%	0.269	S	S	.	.	H	α-helix	trans	-63.5	-42.4	172.7	-172.7	-84.3	0	0	0	112.8	L108 H116 A121 H127 D128 L129 W137	L108-F125 HydrophobicContact CD2-CB 4.43Å; L108-F125 HydrophobicContact CD2-CD1 3.52Å; L108-F125 HydrophobicContact CD2-CE1 4.21Å; L108-F125 HydrophobicContact CD2-CG 4.34Å; H116-F125 AromaticContact CE1-CD1 3.72Å; H116-F125 AromaticContact CE1-CD2 3.57Å; H116-F125 AromaticContact CE1-CE1 3.77Å; H116-F125 AromaticContact CE1-CE2 3.63Å; H116-F125 AromaticContact CE1-CG 3.61Å; H116-F125 AromaticContact CE1-CZ 3.73Å; H116-F125 AromaticContact NE2-CE2 3.79Å; H116-F125 AromaticContact NE2-CZ 3.68Å; A121-F125 WeakPolarHBondContact O-CB 3.43Å; A121-F125 PolarHBondContact O-N 2.88Å; F125-H127 VanDerWaalsContact C-N 3.26Å; F125-H127 PolarHBondContact O-N 2.89Å; F125-D128 PolarHBondContact O-N 2.8Å; F125-L129 HydrophobicContact CD1-CD1 4.32Å; F125-L129 HydrophobicContact CD1-CD2 4.42Å; F125-L129 HydrophobicContact CD1-CG 4.16Å; F125-L129 HydrophobicContact CE1-CD1 4.16Å; F125-L129 HydrophobicContact CE1-CD2 3.75Å; F125-L129 HydrophobicContact CE1-CG 3.96Å; F125-L129 HydrophobicContact CZ-CD2 4.25Å; F125-L129 WeakPolarHBondContact O-CG 3.21Å; F125-L129 PolarHBondContact O-N 2.78Å; F125-W137 HydrophobicContact CE1-CE3 4.39Å; F125-W137 AromaticContact CE1-CH2 3.52Å; F125-W137 HydrophobicContact CE1-CH2 3.52Å; F125-W137 AromaticContact CE1-CZ2 3.69Å; F125-W137 HydrophobicContact CE1-CZ2 3.69Å; F125-W137 AromaticContact CE1-CZ3 3.9Å; F125-W137 HydrophobicContact CE1-CZ3 3.9Å; F125-W137 AromaticContact CZ-CH2 3.89Å; F125-W137 HydrophobicContact CZ-CH2 3.89Å; F125-W137 HydrophobicContact CZ-CZ2 4.02Å
126	Y	92.1	Very high	90.1	Very high	1 Å²	1	56.3 Å²	56.3	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-68.1	-25.2	178.8	-171.3	-110.4	0	0	0	113.3	L108 A122 R123 D124 L129 A134 W137 Y139 P382 A383 V386	L108-Y126 HydrophobicContact CD1-CD2 3.75Å; L108-Y126 HydrophobicContact CD1-CE2 4.49Å; L108-Y126 HydrophobicContact CD1-CG 4.35Å; A122-Y126 WeakPolarHBondContact O-CB 3.34Å; A122-Y126 PolarHBondContact O-N 2.91Å; R123-Y126 PolarHBondContact O-N 3.42Å; D124-Y126 PolarHBondContact O-N 3.05Å; Y126-L129 HydrophobicContact CD2-CD1 3.87Å; Y126-L129 HydrophobicContact CE2-CD1 4.42Å; Y126-A134 HydrophobicContact CE2-CB 4.11Å; Y126-A134 WeakPolarHBondContact CE2-O 2.99Å; Y126-A134 PolarHBondContact OH-O 3.31Å; Y126-A134 VanDerWaalsContact OH-O 3.11Å; Y126-W137 HydrophobicContact CD2-CB 4.38Å; Y126-W137 HydrophobicContact CE2-CB 4.16Å; Y126-Y139 HydrophobicContact CD1-CD1 4.21Å; Y126-Y139 AromaticContact CD1-CD2 3.83Å; Y126-Y139 HydrophobicContact CD1-CD2 3.83Å; Y126-Y139 HydrophobicContact CD1-CE2 4.45Å; Y126-Y139 AromaticContact CD1-CG 3.69Å; Y126-Y139 HydrophobicContact CD1-CG 3.69Å; Y126-Y139 HydrophobicContact CD2-CD2 4.5Å; Y126-Y139 HydrophobicContact CD2-CG 4.46Å; Y126-Y139 HydrophobicContact CE1-CD1 4.3Å; Y126-Y139 AromaticContact CE1-CG 3.99Å; Y126-Y139 HydrophobicContact CE1-CG 3.99Å; Y126-Y139 AromaticContact CG-CD2 3.8Å; Y126-Y139 HydrophobicContact CG-CD2 3.8Å; Y126-Y139 AromaticContact CG-CG 3.97Å; Y126-Y139 HydrophobicContact CG-CG 3.97Å; Y126-P382 WeakPolarHBondContact OH-CB 3.49Å; Y126-P382 WeakPolarHBondContact OH-CG 3.17Å; Y126-A383 HydrophobicContact CD1-CB 4.23Å; Y126-A383 HydrophobicContact CE1-CB 3.93Å; Y126-V386 HydrophobicContact CE1-CG2 4.27Å
127	H	86.6	Confident	90	Very high	98 Å²	98	53.7 Å²	53.7	45%	0.454	27%	0.267	S	S	.	.	H	α-helix	trans	-70.1	-43.5	170.8	174.6	71.4	0	0	0	112	R123 D124 F125 L129 D387	R123-H127 WeakPolarHBondContact O-CB 3.11Å; R123-H127 PolarHBondContact O-N 3.3Å; D124-H127 WeakPolarHBondContact O-CB 3.46Å; D124-H127 PolarHBondContact O-N 3.05Å; F125-H127 VanDerWaalsContact C-N 3.26Å; F125-H127 PolarHBondContact O-N 2.89Å; H127-L129 VanDerWaalsContact C-N 3.29Å; H127-L129 PolarHBondContact O-N 2.78Å; H127-D387 IonicContact CE1-OD1 2.93Å; H127-D387 IonicContact CE1-OD2 3.28Å; H127-D387 PolarHBondContact CE1-OD2 3.29Å; H127-D387 VanDerWaalsContact CE1-OD2 3.3Å; H127-D387 IonicContact CG-OD1 2.63Å; H127-D387 IonicContact ND1-OD1 2.81Å; H127-D387 PolarHBondContact ND1-OD1 3.25Å; H127-D387 IonicContact ND1-OD2 2.7Å; H127-D387 PolarHBondContact ND1-OD2 3Å
128	D	89.4	Confident	90	Very high	130 Å²	130	53.1 Å²	53.1	70%	0.695	26%	0.263	S	S	*	.	H	α-helix	trans	-76.7	-10.6	-176.1	-68.8	-21.9	0	0	0	113.8	D124 F125	D124-D128 PolarHBondContact O-N 3.31Å; D124-D128 VanDerWaalsContact O-N 3.13Å; F125-D128 PolarHBondContact O-N 2.8Å
129	L	89.9	Confident	90.1	Very high	18 Å²	18	53.3 Å²	53.3	9%	0.094	26%	0.263	C	S	.	.	S	Bend	trans	-65.8	141.1	176.3	-79.2	175.9	0	0	0	112.9	F125 Y126 H127 E133 A134 W137	F125-L129 HydrophobicContact CD1-CD1 4.32Å; F125-L129 HydrophobicContact CD1-CD2 4.42Å; F125-L129 HydrophobicContact CD1-CG 4.16Å; F125-L129 HydrophobicContact CE1-CD1 4.16Å; F125-L129 HydrophobicContact CE1-CD2 3.75Å; F125-L129 HydrophobicContact CE1-CG 3.96Å; F125-L129 HydrophobicContact CZ-CD2 4.25Å; F125-L129 WeakPolarHBondContact O-CG 3.21Å; F125-L129 PolarHBondContact O-N 2.78Å; Y126-L129 HydrophobicContact CD2-CD1 3.87Å; Y126-L129 HydrophobicContact CE2-CD1 4.42Å; H127-L129 VanDerWaalsContact C-N 3.29Å; H127-L129 PolarHBondContact O-N 2.78Å; L129-E133 HydrophobicContact CD2-CG 4.39Å; L129-A134 HydrophobicContact CB-CB 3.92Å; L129-A134 HydrophobicContact CD1-CB 4.34Å; L129-W137 HydrophobicContact CD1-CB 4.01Å; L129-W137 HydrophobicContact CD1-CD2 3.92Å; L129-W137 HydrophobicContact CD1-CG 3.58Å
130	D	87.8	Confident	90.2	Very high	119 Å²	119	53.5 Å²	53.5	64%	0.636	26%	0.264	S	S	*	.			trans	-56.9	138	170.7	-92.2	-50.2	0	0	0	110.9	E132 E133 A134	D130-E132 PolarHBondContact O-N 3.22Å; D130-E133 HydrophobicContact CB-CB 4.35Å; D130-E133 PolarHBondContact O-N 2.75Å; D130-A134 PolarHBondContact O-N 2.91Å
131	P	81.8	Confident	90.4	Very high	65 Å²	65	55.4 Å²	55.4	42%	0.422	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-14.3	-172.9	-27.6	35.5	0	0	0	116.3
132	E	85.3	Confident	90.3	Very high	149 Å²	149	56.6 Å²	56.6	70%	0.696	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-36.3	174.3	-64.7	178.2	-176.1	0	0	111	D130 H136	D130-E132 PolarHBondContact O-N 3.22Å; E132-H136 PolarHBondContact O-CE1 3.2Å; E132-H136 VanDerWaalsContact O-CE1 3.29Å; E132-H136 PolarHBondContact O-ND1 3.34Å
133	E	88.1	Confident	90.2	Very high	89 Å²	89	57 Å²	57	42%	0.416	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-45.2	174	-157.6	-169.6	155.3	0	0	110.9	L129 D130 Q135 H136 W137	L129-E133 HydrophobicContact CD2-CG 4.39Å; D130-E133 HydrophobicContact CB-CB 4.35Å; D130-E133 PolarHBondContact O-N 2.75Å; E133-Q135 PolarHBondContact O-N 2.77Å; E133-H136 WeakPolarHBondContact O-CB 3.33Å; E133-H136 PolarHBondContact O-N 2.91Å; E133-W137 PolarHBondContact OE1-NE1 2.58Å
134	A	86.9	Confident	90.3	Very high	2 Å²	2	54 Å²	54	2%	0.017	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-20.3	-179.7	0	0	0	0	0	114.7	Y126 L129 D130 H136 A383	Y126-A134 HydrophobicContact CE2-CB 4.11Å; Y126-A134 WeakPolarHBondContact CE2-O 2.99Å; Y126-A134 PolarHBondContact OH-O 3.31Å; Y126-A134 VanDerWaalsContact OH-O 3.11Å; L129-A134 HydrophobicContact CB-CB 3.92Å; L129-A134 HydrophobicContact CD1-CB 4.34Å; D130-A134 PolarHBondContact O-N 2.91Å; A134-H136 VanDerWaalsContact C-N 3.33Å; A134-A383 HydrophobicContact CB-CB 4.34Å
135	Q	86.1	Confident	90.2	Very high	76 Å²	76	53.8 Å²	53.8	36%	0.355	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-24.6	173.6	-68.2	178.6	0.8	0	0	113	E133 N163 K380	E133-Q135 PolarHBondContact O-N 2.77Å; Q135-N163 WeakPolarHBondContact O-CB 3.48Å; Q135-N163 PolarHBondContact O-ND2 3.3Å; Q135-K380 PolarHBondContact NE2-O 2.99Å; Q135-K380 VanDerWaalsContact NE2-O 3.09Å
136	H	90.9	Very high	89.9	Confident	111 Å²	111	54.5 Å²	54.5	51%	0.514	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-31.7	-177.9	-59.9	87.7	0	0	0	112.6	P111 E132 E133 A134 R165	P111-H136 HydrophobicContact CB-CB 4.37Å; P111-H136 HydrophobicContact CG-CB 4.01Å; E132-H136 PolarHBondContact O-CE1 3.2Å; E132-H136 VanDerWaalsContact O-CE1 3.29Å; E132-H136 PolarHBondContact O-ND1 3.34Å; E133-H136 WeakPolarHBondContact O-CB 3.33Å; E133-H136 PolarHBondContact O-N 2.91Å; A134-H136 VanDerWaalsContact C-N 3.33Å; H136-R165 PolarHBondContact O-NH1 3.29Å
137	W	94.9	Very high	89.5	Confident	20 Å²	20	54.7 Å²	54.7	8%	0.076	27%	0.269	C	S	.	.	S	Bend	trans	-69.9	155.6	177	-75.8	81.4	0	0	0	112.8	L108 T110 P111 H116 F125 Y126 L129 E133 N163	L108-W137 HydrophobicContact CD1-CB 4.16Å; L108-W137 HydrophobicContact CD1-CE3 3.85Å; L108-W137 HydrophobicContact CD2-CE3 3.76Å; L108-W137 HydrophobicContact CD2-CZ3 3.87Å; L108-W137 HydrophobicContact CG-CE3 3.69Å; L108-W137 HydrophobicContact CG-CZ3 4.04Å; T110-W137 HydrophobicContact CG2-CH2 3.96Å; T110-W137 HydrophobicContact CG2-CZ3 3.83Å; P111-W137 HydrophobicContact CG-CG 4.41Å; H116-W137 HydrophobicContact CB-CZ3 3.81Å; H116-W137 AromaticContact CD2-CH2 3.54Å; H116-W137 AromaticContact CD2-CZ3 3.66Å; H116-W137 AromaticContact CG-CH2 3.99Å; H116-W137 AromaticContact CG-CZ3 3.62Å; H116-W137 AromaticContact NE2-CH2 3.88Å; F125-W137 HydrophobicContact CE1-CE3 4.39Å; F125-W137 AromaticContact CE1-CH2 3.52Å; F125-W137 HydrophobicContact CE1-CH2 3.52Å; F125-W137 AromaticContact CE1-CZ2 3.69Å; F125-W137 HydrophobicContact CE1-CZ2 3.69Å; F125-W137 AromaticContact CE1-CZ3 3.9Å; F125-W137 HydrophobicContact CE1-CZ3 3.9Å; F125-W137 AromaticContact CZ-CH2 3.89Å; F125-W137 HydrophobicContact CZ-CH2 3.89Å; F125-W137 HydrophobicContact CZ-CZ2 4.02Å; Y126-W137 HydrophobicContact CD2-CB 4.38Å; Y126-W137 HydrophobicContact CE2-CB 4.16Å; L129-W137 HydrophobicContact CD1-CB 4.01Å; L129-W137 HydrophobicContact CD1-CD2 3.92Å; L129-W137 HydrophobicContact CD1-CG 3.58Å; E133-W137 PolarHBondContact OE1-NE1 2.58Å; W137-N163 PolarHBondContact O-ND2 3.42Å
138	L	96.4	Very high	89.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	85.9	-170.1	-64.7	168.7	0	0	0	110.3	L108 L109 L113 F140 A161 R165 V167	L108-L138 WeakPolarHBondContact CA-O 3.42Å; L109-L138 HydrophobicContact CB-CB 4Å; L109-L138 HydrophobicContact CB-CD1 4.27Å; L109-L138 PolarHBondContact N-O 3.49Å; L109-L138 PolarHBondContact O-N 3.37Å; L113-L138 HydrophobicContact CD2-CD1 3.47Å; L113-L138 VanDerWaalsContact CD2-CD1 3.47Å; L138-F140 HydrophobicContact CB-CE2 3.96Å; L138-F140 HydrophobicContact CB-CZ 4.43Å; L138-A161 HydrophobicContact CB-CB 4.22Å; L138-A161 HydrophobicContact CD2-CB 3.76Å; L138-R165 HydrophobicContact CD2-CB 3.48Å; L138-R165 VanDerWaalsContact CD2-CB 3.48Å; L138-R165 HydrophobicContact CD2-CG 4.2Å; L138-V167 HydrophobicContact CD1-CG2 4.1Å
139	Y	96.1	Very high	88.7	Confident	9 Å²	9	50.3 Å²	50.3	4%	0.035	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	131.4	174.6	-175.3	-94.2	0	0	0	110.6	C106 L108 Y126 D141 A161 V162 V386	C106-Y139 HydrophobicContact CB-CE1 4.41Å; C106-Y139 HydrophobicContact CB-CE2 3.96Å; C106-Y139 VanDerWaalsContact CB-OH 3.31Å; C106-Y139 WeakPolarHBondContact CB-OH 3.47Å; C106-Y139 PolarHBondContact SG-OH 2.94Å; C106-Y139 VanDerWaalsContact SG-OH 3.39Å; L108-Y139 HydrophobicContact CD1-CD2 4.37Å; Y126-Y139 HydrophobicContact CD1-CD1 4.21Å; Y126-Y139 AromaticContact CD1-CD2 3.83Å; Y126-Y139 HydrophobicContact CD1-CD2 3.83Å; Y126-Y139 HydrophobicContact CD1-CE2 4.45Å; Y126-Y139 AromaticContact CD1-CG 3.69Å; Y126-Y139 HydrophobicContact CD1-CG 3.69Å; Y126-Y139 HydrophobicContact CD2-CD2 4.5Å; Y126-Y139 HydrophobicContact CD2-CG 4.46Å; Y126-Y139 HydrophobicContact CE1-CD1 4.3Å; Y126-Y139 AromaticContact CE1-CG 3.99Å; Y126-Y139 HydrophobicContact CE1-CG 3.99Å; Y126-Y139 AromaticContact CG-CD2 3.8Å; Y126-Y139 HydrophobicContact CG-CD2 3.8Å; Y126-Y139 AromaticContact CG-CG 3.97Å; Y126-Y139 HydrophobicContact CG-CG 3.97Å; Y139-D141 HydrophobicContact CE1-CB 3.9Å; Y139-A161 WeakPolarHBondContact O-CA 3.36Å; Y139-V162 HydrophobicContact CD1-CG2 3.8Å; Y139-V162 PolarHBondContact O-N 3.45Å; Y139-V386 HydrophobicContact CD1-CG2 4.04Å; Y139-V386 HydrophobicContact CE1-CG1 4.03Å; Y139-V386 HydrophobicContact CE1-CG2 3.8Å
140	F	95.7	Very high	88.3	Confident	4 Å²	4	51 Å²	51	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	131.9	174.6	-57.7	-91.5	0	0	0	109.4	C106 L107 L109 L138 F143 L159 A161 V167 V172	C106-F140 CarbonylContact C-O 3.59Å; C106-F140 WeakPolarHBondContact CA-O 3.45Å; C106-F140 WeakPolarHBondContact CB-O 3.28Å; L107-F140 HydrophobicContact CD2-CD2 4.24Å; L107-F140 PolarHBondContact N-O 2.96Å; L107-F140 PolarHBondContact O-N 2.9Å; L109-F140 HydrophobicContact CD1-CE2 4Å; L109-F140 HydrophobicContact CG-CE2 4.2Å; L138-F140 HydrophobicContact CB-CE2 3.96Å; L138-F140 HydrophobicContact CB-CZ 4.43Å; F140-F143 HydrophobicContact CB-CD1 3.82Å; F140-F143 HydrophobicContact CB-CE1 4.47Å; F140-F143 HydrophobicContact CB-CG 4.48Å; F140-L159 HydrophobicContact CD1-CB 4.07Å; F140-L159 HydrophobicContact CE1-CB 3.83Å; F140-A161 HydrophobicContact CD1-CB 4.15Å; F140-A161 HydrophobicContact CE1-CB 3.7Å; F140-A161 HydrophobicContact CE2-CB 4.24Å; F140-A161 HydrophobicContact CZ-CB 3.75Å; F140-V167 HydrophobicContact CE1-CB 4.49Å; F140-V167 HydrophobicContact CZ-CB 3.86Å; F140-V167 HydrophobicContact CZ-CG2 3.71Å; F140-V172 HydrophobicContact CD2-CG1 4.33Å; F140-V172 HydrophobicContact CD2-CG2 4.34Å; F140-V172 HydrophobicContact CE1-CG2 4.26Å; F140-V172 HydrophobicContact CE2-CG2 3.99Å; F140-V172 HydrophobicContact CG-CG1 4.3Å; F140-V172 HydrophobicContact CZ-CG2 3.95Å
141	D	92.3	Very high	87.6	Confident	63 Å²	63	48.9 Å²	48.9	34%	0.337	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	155.6	167	79.1	-57.3	0	0	0	111.3	C106 Y139 F143	C106-D141 HydrophobicContact CB-CB 4.02Å; Y139-D141 HydrophobicContact CE1-CB 3.9Å; D141-F143 PolarHBondContact O-N 3.46Å
142	K	90	Very high	87.5	Confident	48 Å²	48	51.7 Å²	51.7	21%	0.209	27%	0.265	C	S	.	.	S	Bend	trans	56.2	15.5	172.8	-58.6	167.8	-169.9	-178.4	0	115.1	T69 T105 K144 M145 V355 D358	T69-K142 HydrophobicContact CG2-CB 4.23Å; T69-K142 WeakPolarHBondContact O-CA 3.29Å; T105-K142 PolarHBondContact O-N 2.83Å; K142-K144 PolarHBondContact O-N 2.98Å; K142-M145 PolarHBondContact O-N 2.94Å; K142-V355 HydrophobicContact CD-CG2 3.86Å; K142-V355 HydrophobicContact CG-CG2 4.43Å; K142-D358 IonicContact NZ-OD2 3.58Å; K142-D358 PolarHBondContact NZ-OD2 2.9Å
143	F	92.7	Very high	87.6	Confident	9 Å²	9	45.1 Å²	45.1	4%	0.039	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.3	-168.2	57.7	-99	0	0	0	114.2	F67 T105 L107 F140 D141 M145 K146 L159 V172 F173 A176	F67-F143 HydrophobicContact CE1-CE2 4.11Å; F67-F143 AromaticContact CZ-CE2 3.85Å; F67-F143 HydrophobicContact CZ-CE2 3.85Å; F67-F143 HydrophobicContact CZ-CZ 4.08Å; T105-F143 HydrophobicContact CG2-CE1 4.04Å; T105-F143 HydrophobicContact CG2-CZ 3.98Å; L107-F143 HydrophobicContact CB-CE1 4.12Å; F140-F143 HydrophobicContact CB-CD1 3.82Å; F140-F143 HydrophobicContact CB-CE1 4.47Å; F140-F143 HydrophobicContact CB-CG 4.48Å; D141-F143 PolarHBondContact O-N 3.46Å; F143-M145 PolarHBondContact O-N 3.49Å; F143-M145 VanDerWaalsContact O-N 3.11Å; F143-K146 WeakPolarHBondContact O-CB 3.21Å; F143-K146 PolarHBondContact O-N 3.48Å; F143-L159 HydrophobicContact CB-CD1 3.87Å; F143-L159 HydrophobicContact CB-CD2 3.82Å; F143-L159 HydrophobicContact CB-CG 4.5Å; F143-L159 HydrophobicContact CD2-CD1 4.14Å; F143-L159 HydrophobicContact CG-CD1 4.23Å; F143-V172 HydrophobicContact CD1-CG1 4.41Å; F143-V172 HydrophobicContact CD2-CG1 4.12Å; F143-V172 HydrophobicContact CE1-CG1 4.3Å; F143-V172 HydrophobicContact CE2-CG1 4Å; F143-V172 HydrophobicContact CG-CG1 4.33Å; F143-V172 HydrophobicContact CZ-CG1 4.09Å; F143-F173 AromaticContact CD2-CD2 3.91Å; F143-F173 HydrophobicContact CD2-CD2 3.91Å; F143-F173 HydrophobicContact CD2-CE1 4.32Å; F143-F173 AromaticContact CD2-CE2 3.48Å; F143-F173 HydrophobicContact CD2-CE2 3.48Å; F143-F173 VanDerWaalsContact CD2-CE2 3.48Å; F143-F173 AromaticContact CD2-CZ 3.7Å; F143-F173 HydrophobicContact CD2-CZ 3.7Å; F143-F173 HydrophobicContact CE2-CD1 4.31Å; F143-F173 AromaticContact CE2-CD2 3.95Å; F143-F173 HydrophobicContact CE2-CD2 3.95Å; F143-F173 HydrophobicContact CE2-CE1 4.24Å; F143-F173 AromaticContact CE2-CE2 3.93Å; F143-F173 HydrophobicContact CE2-CE2 3.93Å; F143-F173 HydrophobicContact CE2-CG 4.2Å; F143-F173 HydrophobicContact CE2-CZ 4.07Å; F143-A176 HydrophobicContact CZ-CB 4.21Å
144	K	91.7	Very high	87.7	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.009	23%	0.226	C	C	.	.	H	α-helix	trans	-49.8	-33.2	167.8	-165	-178.8	-175.4	179.2	0	112.9	F67 K142 K146 I147 W211 E242	F67-K144 HydrophobicContact CD1-CD 4.36Å; F67-K144 WeakPolarHBondContact O-CD 3.27Å; F67-K144 WeakPolarHBondContact O-CE 3.3Å; F67-K144 PolarHBondContact O-NZ 2.82Å; K142-K144 PolarHBondContact O-N 2.98Å; K144-K146 VanDerWaalsContact C-N 3.26Å; K144-K146 PolarHBondContact O-N 2.98Å; K144-I147 PolarHBondContact O-N 2.99Å; K144-W211 HydrophobicContact CD-CH2 4.27Å; K144-W211 HydrophobicContact CD-CZ2 4.25Å; K144-W211 HydrophobicContact CG-CH2 3.7Å; K144-W211 HydrophobicContact CG-CZ2 3.71Å; K144-E242 IonicContact NZ-OE1 3.3Å; K144-E242 PolarHBondContact NZ-OE1 3.09Å
145	M	88	Confident	87.8	Confident	38 Å²	38	45.1 Å²	45.1	19%	0.187	24%	0.237	C	C	.	.	H	α-helix	trans	-64.9	-25.4	-179.6	-68	-52.8	-69.2	0	0	114.1	T69 K142 F143 I147 H148 S149 G325 P351	T69-M145 HydrophobicContact CG2-CG 3.54Å; T69-M145 HydrophobicContact CG2-SD 3.84Å; K142-M145 PolarHBondContact O-N 2.94Å; F143-M145 PolarHBondContact O-N 3.49Å; F143-M145 VanDerWaalsContact O-N 3.11Å; M145-I147 VanDerWaalsContact C-N 3.34Å; M145-I147 PolarHBondContact O-N 3.01Å; M145-H148 PolarHBondContact O-N 3.27Å; M145-S149 PolarHBondContact O-N 2.87Å; M145-S149 PolarHBondContact O-OG 2.9Å; M145-G325 WeakPolarHBondContact SD-CA 3.45Å; M145-P351 HydrophobicContact CE-CB 3.85Å
146	K	84.9	Confident	88.1	Confident	93 Å²	93	46.9 Å²	46.9	40%	0.404	25%	0.246	S	C	.	.	H	α-helix	trans	-63.2	-41.8	178.7	-171.5	73.9	175.8	-171.3	0	111.6	F143 K144 H148 S149 T150 E158 L159	F143-K146 WeakPolarHBondContact O-CB 3.21Å; F143-K146 PolarHBondContact O-N 3.48Å; K144-K146 VanDerWaalsContact C-N 3.26Å; K144-K146 PolarHBondContact O-N 2.98Å; K146-H148 VanDerWaalsContact C-N 3.29Å; K146-H148 PolarHBondContact O-N 2.98Å; K146-S149 PolarHBondContact O-N 3.34Å; K146-S149 PolarHBondContact O-OG 3.45Å; K146-T150 WeakPolarHBondContact O-CB 3.05Å; K146-T150 PolarHBondContact O-N 3.18Å; K146-T150 PolarHBondContact O-OG1 3.08Å; K146-E158 WeakPolarHBondContact CE-O 3.3Å; K146-L159 HydrophobicContact CB-CD2 3.48Å; K146-L159 VanDerWaalsContact CB-CD2 3.48Å; K146-L159 HydrophobicContact CG-CD2 3.79Å
147	I	83.3	Confident	88.2	Confident	6 Å²	6	42.3 Å²	42.3	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-38.9	176.3	-66.9	-175.1	0	0	0	111	K144 M145 L153 F173 W211 A215 F218 M219	K144-I147 PolarHBondContact O-N 2.99Å; M145-I147 VanDerWaalsContact C-N 3.34Å; M145-I147 PolarHBondContact O-N 3.01Å; I147-L153 HydrophobicContact CG1-CD1 4.37Å; I147-L153 HydrophobicContact CG2-CD2 3.87Å; I147-F173 HydrophobicContact CD1-CD1 4.02Å; I147-F173 HydrophobicContact CD1-CD2 4.32Å; I147-F173 HydrophobicContact CD1-CE1 3.35Å; I147-F173 HydrophobicContact CD1-CE2 3.67Å; I147-F173 HydrophobicContact CD1-CG 4.45Å; I147-F173 HydrophobicContact CD1-CZ 3.13Å; I147-F173 HydrophobicContact CG1-CE1 4.35Å; I147-F173 HydrophobicContact CG1-CE2 4.05Å; I147-F173 HydrophobicContact CG1-CZ 3.67Å; I147-W211 HydrophobicContact CB-CH2 3.85Å; I147-W211 HydrophobicContact CB-CZ2 4.08Å; I147-W211 HydrophobicContact CB-CZ3 4.48Å; I147-W211 HydrophobicContact CD1-CH2 4.24Å; I147-W211 HydrophobicContact CG2-CD2 4.43Å; I147-W211 HydrophobicContact CG2-CE3 4.13Å; I147-W211 HydrophobicContact CG2-CH2 3.5Å; I147-W211 HydrophobicContact CG2-CZ2 3.85Å; I147-W211 HydrophobicContact CG2-CZ3 3.67Å; I147-A215 HydrophobicContact CG2-CB 3.37Å; I147-F218 HydrophobicContact CD1-CD1 3.31Å; I147-F218 HydrophobicContact CD1-CE1 3.41Å; I147-F218 VanDerWaalsContact CD1-CE1 3.41Å; I147-F218 HydrophobicContact CD1-CG 4.13Å; I147-F218 HydrophobicContact CD1-CZ 4.25Å; I147-F218 HydrophobicContact CG1-CD1 4.29Å; I147-F218 HydrophobicContact CG1-CE1 4.24Å; I147-M219 HydrophobicContact CD1-SD 4.24Å
148	H	79.8	Confident	88.2	Confident	47 Å²	47	45.2 Å²	45.2	22%	0.218	24%	0.24	C	C	.	.	H	α-helix	trans	-70	-38.5	179.7	-178.2	59.6	0	0	0	113	M145 K146 W211	M145-H148 PolarHBondContact O-N 3.27Å; K146-H148 VanDerWaalsContact C-N 3.29Å; K146-H148 PolarHBondContact O-N 2.98Å; H148-W211 HydrophobicContact CB-CZ2 4.35Å; H148-W211 AromaticContact CG-NE1 3.73Å; H148-W211 AromaticContact ND1-CD1 3.49Å; H148-W211 AromaticContact ND1-NE1 3.37Å; H148-W211 PolarHBondContact ND1-NE1 3.2Å
149	S	79.7	Confident	88.2	Confident	88 Å²	88	45.6 Å²	45.6	62%	0.615	24%	0.242	S	C	*	.	H	α-helix	trans	-90.7	-15.4	-173.1	58.9	0	0	0	0	115	M145 K146 S151	M145-S149 PolarHBondContact O-N 2.87Å; M145-S149 PolarHBondContact O-OG 2.9Å; K146-S149 PolarHBondContact O-N 3.34Å; K146-S149 PolarHBondContact O-OG 3.45Å; S149-S151 PolarHBondContact O-N 3.25Å
150	T	81.4	Confident	88.1	Confident	34 Å²	34	51.4 Å²	51.4	21%	0.209	27%	0.269	C	S	.	.			trans	-80.3	118.9	179.8	-55.2	0	0	0	0	110.2	K146 T157	K146-T150 WeakPolarHBondContact O-CB 3.05Å; K146-T150 PolarHBondContact O-N 3.18Å; K146-T150 PolarHBondContact O-OG1 3.08Å; T150-T157 HydrophobicContact CG2-CG2 4.33Å
151	S	73.5	Confident	87.9	Confident	73 Å²	73	51.4 Å²	51.4	51%	0.51	27%	0.27	S	S	.	.	S	Bend	trans	-64	-44.7	178.5	43.8	0	0	0	0	112.4	S149 R212	S149-S151 PolarHBondContact O-N 3.25Å; S151-R212 PolarHBondContact O-NH1 3.02Å
152	D	81	Confident	87.8	Confident	125 Å²	125	50.2 Å²	50.2	67%	0.668	27%	0.265	S	S	*	.	S	Bend	trans	-115.6	65.3	-170.7	-50.4	-67.4	0	0	0	108.4	T154	D152-T154 PolarHBondContact O-N 2.72Å
153	L	87	Confident	87.7	Confident	10 Å²	10	49.7 Å²	49.7	5%	0.052	26%	0.264	C	S	.	.			trans	-70.3	125.2	178.8	-177.8	73.6	0	0	0	109.9	I147 T157 P214 A215 F218 L692	I147-L153 HydrophobicContact CG1-CD1 4.37Å; I147-L153 HydrophobicContact CG2-CD2 3.87Å; L153-T157 HydrophobicContact CD1-CG2 3.98Å; L153-P214 HydrophobicContact CB-CB 4.37Å; L153-P214 HydrophobicContact CD2-CB 4.29Å; L153-A215 HydrophobicContact CD2-CB 4.11Å; L153-F218 HydrophobicContact CD1-CD2 4.17Å; L153-F218 HydrophobicContact CD1-CE2 4.34Å; L153-F218 HydrophobicContact CD2-CB 3.88Å; L153-F218 HydrophobicContact CD2-CD2 4.13Å; L153-F218 HydrophobicContact CD2-CG 4.16Å; L153-F218 HydrophobicContact CG-CD2 4.17Å; L153-L692 HydrophobicContact CD2-CD2 4.1Å; L153-L692 HydrophobicContact CG-CD2 4.02Å; L153-L692 WeakPolarHBondContact O-CD2 3.49Å
154	T	89.3	Confident	87.4	Confident	40 Å²	40	51 Å²	51	25%	0.245	28%	0.281	C	S	.	.			trans	-133.6	170.3	178.7	67	0	0	0	0	110.7	D152 E156 T157	D152-T154 PolarHBondContact O-N 2.72Å; T154-E156 PolarHBondContact O-N 3.45Å; T154-E156 PolarHBondContact OG1-N 3.01Å; T154-T157 PolarHBondContact N-OG1 2.95Å; T154-T157 WeakPolarHBondContact O-CB 3.44Å; T154-T157 PolarHBondContact O-N 3.3Å; T154-T157 VanDerWaalsContact O-N 3.11Å; T154-T157 PolarHBondContact O-OG1 2.97Å; T154-T157 PolarHBondContact OG1-OG1 3.04Å
155	M	88.9	Confident	87.4	Confident	51 Å²	51	55.6 Å²	55.6	25%	0.251	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-19.7	174	-64.6	-59.8	-74	0	0	113.8	I170 E221 L692	M155-I170 HydrophobicContact CE-CB 4.48Å; M155-I170 HydrophobicContact CE-CD1 3.83Å; M155-I170 HydrophobicContact CE-CG1 3.75Å; M155-I170 HydrophobicContact SD-CD1 4.17Å; M155-E221 HydrophobicContact CE-CB 3.99Å; M155-E221 HydrophobicContact CE-CG 4.34Å; M155-E221 HydrophobicContact SD-CB 4.27Å; M155-E221 HydrophobicContact SD-CG 4.22Å; M155-L692 HydrophobicContact CG-CB 4.35Å; M155-L692 HydrophobicContact CG-CD1 4.46Å; M155-L692 HydrophobicContact SD-CD1 3.71Å
156	E	91.9	Very high	87.7	Confident	114 Å²	114	59.6 Å²	59.6	53%	0.533	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	9.1	177.3	-54.4	-45.7	129.9	0	0	113.5	T154 E158 R168	T154-E156 PolarHBondContact O-N 3.45Å; T154-E156 PolarHBondContact OG1-N 3.01Å; E156-E158 PolarHBondContact O-N 2.81Å; E156-R168 IonicContact OE1-CZ 3.75Å; E156-R168 IonicContact OE1-NE 2.94Å; E156-R168 IonicContact OE1-NH2 2.81Å; E156-R168 PolarHBondContact OE1-NH2 2.99Å; E156-R168 IonicContact OE2-CZ 3.33Å; E156-R168 IonicContact OE2-NE 2.74Å; E156-R168 PolarHBondContact OE2-NE 3.3Å; E156-R168 IonicContact OE2-NH2 3.7Å; E156-R168 PolarHBondContact OE2-NH2 3.02Å
157	T	94	Very high	88.3	Confident	14 Å²	14	55.5 Å²	55.5	9%	0.086	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-64.6	127.4	176.1	-62.8	0	0	0	0	110.6	T150 L153 T154 A169	T150-T157 HydrophobicContact CG2-CG2 4.33Å; L153-T157 HydrophobicContact CD1-CG2 3.98Å; T154-T157 PolarHBondContact N-OG1 2.95Å; T154-T157 WeakPolarHBondContact O-CB 3.44Å; T154-T157 PolarHBondContact O-N 3.3Å; T154-T157 VanDerWaalsContact O-N 3.11Å; T154-T157 PolarHBondContact O-OG1 2.97Å; T154-T157 PolarHBondContact OG1-OG1 3.04Å; T157-A169 WeakPolarHBondContact O-CB 3.34Å; T157-A169 PolarHBondContact O-N 3.11Å
158	E	95.3	Very high	88.9	Confident	82 Å²	82	59 Å²	59	38%	0.383	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	145.3	-179.1	-59	179.2	115.7	0	0	113.1	K146 E156 K166 V167	K146-E158 WeakPolarHBondContact CE-O 3.3Å; E156-E158 PolarHBondContact O-N 2.81Å; E158-K166 HydrophobicContact CB-CB 4.26Å; E158-K166 HydrophobicContact CB-CD 4.12Å; E158-K166 VanDerWaalsContact CD-CD 3.49Å; E158-K166 HydrophobicContact CG-CD 4.46Å; E158-K166 WeakPolarHBondContact OE2-CD 3.38Å; E158-K166 IonicContact OE2-NZ 3.39Å; E158-K166 PolarHBondContact OE2-NZ 3.38Å; E158-V167 CarbonylContact C-O 3.46Å; E158-V167 WeakPolarHBondContact CA-O 3.49Å
159	L	95.3	Very high	89.7	Confident	7 Å²	7	56.8 Å²	56.8	4%	0.037	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	148.8	161.3	-73.1	171.1	0	0	0	110.2	F140 F143 K146 K166 V167 A169 V172 F173	F140-L159 HydrophobicContact CD1-CB 4.07Å; F140-L159 HydrophobicContact CE1-CB 3.83Å; F143-L159 HydrophobicContact CB-CD1 3.87Å; F143-L159 HydrophobicContact CB-CD2 3.82Å; F143-L159 HydrophobicContact CB-CG 4.5Å; F143-L159 HydrophobicContact CD2-CD1 4.14Å; F143-L159 HydrophobicContact CG-CD1 4.23Å; K146-L159 HydrophobicContact CB-CD2 3.48Å; K146-L159 VanDerWaalsContact CB-CD2 3.48Å; K146-L159 HydrophobicContact CG-CD2 3.79Å; L159-K166 CarbonylContact O-C 3.59Å; L159-K166 VanDerWaalsContact O-CA 3.24Å; L159-K166 WeakPolarHBondContact O-CA 3.4Å; L159-V167 PolarHBondContact N-O 2.96Å; L159-V167 PolarHBondContact O-N 3.45Å; L159-A169 HydrophobicContact CD1-CB 4.11Å; L159-A169 HydrophobicContact CG-CB 3.79Å; L159-V172 HydrophobicContact CD1-CB 3.68Å; L159-V172 HydrophobicContact CD1-CG1 3.74Å; L159-V172 HydrophobicContact CD1-CG2 3.92Å; L159-F173 HydrophobicContact CD1-CD2 4.36Å; L159-F173 HydrophobicContact CD1-CE2 4.12Å
160	E	93.5	Very high	90.5	Very high	131 Å²	131	52.7 Å²	52.7	61%	0.612	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	126	172.3	-165.2	173.6	137.4	0	0	108.5
161	A	93.4	Very high	91.2	Very high	4 Å²	4	54.2 Å²	54.2	3%	0.033	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-75.8	164.4	170.5	0	0	0	0	0	110.1	L138 Y139 F140 N163 G164 R165	L138-A161 HydrophobicContact CB-CB 4.22Å; L138-A161 HydrophobicContact CD2-CB 3.76Å; Y139-A161 WeakPolarHBondContact O-CA 3.36Å; F140-A161 HydrophobicContact CD1-CB 4.15Å; F140-A161 HydrophobicContact CE1-CB 3.7Å; F140-A161 HydrophobicContact CE2-CB 4.24Å; F140-A161 HydrophobicContact CZ-CB 3.75Å; A161-N163 WeakPolarHBondContact CB-OD1 3.22Å; A161-N163 PolarHBondContact O-N 3.06Å; A161-G164 PolarHBondContact O-N 2.87Å; A161-R165 PolarHBondContact N-O 3.03Å
162	V	90.2	Very high	92.4	Very high	38 Å²	38	50.7 Å²	50.7	23%	0.23	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.6	-176.6	-177.5	0	0	0	0	113.4	Y139 P382 V386	Y139-V162 HydrophobicContact CD1-CG2 3.8Å; Y139-V162 PolarHBondContact O-N 3.45Å; V162-P382 HydrophobicContact CB-CB 4.42Å; V162-P382 HydrophobicContact CG1-CB 3.58Å; V162-V386 HydrophobicContact CG1-CG2 4.5Å
163	N	85.9	Confident	93.2	Very high	37 Å²	37	44.8 Å²	44.8	20%	0.198	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	5.9	171.7	67.3	-5.4	0	0	0	114.8	Q135 W137 A161 R165	Q135-N163 WeakPolarHBondContact O-CB 3.48Å; Q135-N163 PolarHBondContact O-ND2 3.3Å; W137-N163 PolarHBondContact O-ND2 3.42Å; A161-N163 WeakPolarHBondContact CB-OD1 3.22Å; A161-N163 PolarHBondContact O-N 3.06Å; N163-R165 VanDerWaalsContact C-N 3.29Å; N163-R165 PolarHBondContact O-N 3.02Å; N163-R165 WeakPolarHBondContact OD1-CB 3.4Å; N163-R165 PolarHBondContact OD1-N 3.4Å; N163-R165 VanDerWaalsContact OD1-N 3.14Å
164	G	87.8	Confident	93.7	Very high	38 Å²	38	44.9 Å²	44.9	39%	0.392	22%	0.222	S	C	.	.	S	Bend	trans	80.4	-3.2	-179.1	0	0	0	0	0	115.3	A161	A161-G164 PolarHBondContact O-N 2.87Å
165	R	91.3	Very high	94.1	Very high	98 Å²	98	45.6 Å²	45.6	37%	0.37	22%	0.223	S	C	.	.			trans	-72.9	142.5	173.8	-71.5	178.5	63.6	-162.7	0.4	110	P111 H136 L138 A161 N163	P111-R165 PolarHBondContact O-NH1 2.79Å; P111-R165 VanDerWaalsContact O-NH1 3.12Å; P111-R165 PolarHBondContact O-NH2 2.85Å; H136-R165 PolarHBondContact O-NH1 3.29Å; L138-R165 HydrophobicContact CD2-CB 3.48Å; L138-R165 VanDerWaalsContact CD2-CB 3.48Å; L138-R165 HydrophobicContact CD2-CG 4.2Å; A161-R165 PolarHBondContact N-O 3.03Å; N163-R165 VanDerWaalsContact C-N 3.29Å; N163-R165 PolarHBondContact O-N 3.02Å; N163-R165 WeakPolarHBondContact OD1-CB 3.4Å; N163-R165 PolarHBondContact OD1-N 3.4Å; N163-R165 VanDerWaalsContact OD1-N 3.14Å
166	K	95.1	Very high	94.5	Very high	121 Å²	121	43.1 Å²	43.1	53%	0.526	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	147.1	179.7	-61.9	-167.9	-174.5	175	0	113.1	E158 L159	E158-K166 HydrophobicContact CB-CB 4.26Å; E158-K166 HydrophobicContact CB-CD 4.12Å; E158-K166 VanDerWaalsContact CD-CD 3.49Å; E158-K166 HydrophobicContact CG-CD 4.46Å; E158-K166 WeakPolarHBondContact OE2-CD 3.38Å; E158-K166 IonicContact OE2-NZ 3.39Å; E158-K166 PolarHBondContact OE2-NZ 3.38Å; L159-K166 CarbonylContact O-C 3.59Å; L159-K166 VanDerWaalsContact O-CA 3.24Å; L159-K166 WeakPolarHBondContact O-CA 3.4Å
167	V	96.3	Very high	94.8	Very high	8 Å²	8	37.7 Å²	37.7	5%	0.048	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	146.8	177.4	-178.6	0	0	0	0	108.7	L109 L113 L138 F140 E158 L159 A169 V172	L109-V167 HydrophobicContact CD1-CG1 4.24Å; L113-V167 HydrophobicContact CD2-CB 4.48Å; L113-V167 HydrophobicContact CD2-CG1 4.16Å; L113-V167 HydrophobicContact CD2-CG2 3.49Å; L113-V167 VanDerWaalsContact CD2-CG2 3.49Å; L138-V167 HydrophobicContact CD1-CG2 4.1Å; F140-V167 HydrophobicContact CE1-CB 4.49Å; F140-V167 HydrophobicContact CZ-CB 3.86Å; F140-V167 HydrophobicContact CZ-CG2 3.71Å; E158-V167 CarbonylContact C-O 3.46Å; E158-V167 WeakPolarHBondContact CA-O 3.49Å; L159-V167 PolarHBondContact N-O 2.96Å; L159-V167 PolarHBondContact O-N 3.45Å; V167-A169 PolarHBondContact O-N 3.47Å; V167-V172 HydrophobicContact CB-CG2 4.35Å; V167-V172 HydrophobicContact CG1-CG2 3.99Å
168	R	96.1	Very high	95	Very high	78 Å²	78	40.7 Å²	40.7	29%	0.294	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	128	178	-66.3	172.8	73.2	-119.4	7.6	109.2	E156 I170 E171	E156-R168 IonicContact OE1-CZ 3.75Å; E156-R168 IonicContact OE1-NE 2.94Å; E156-R168 IonicContact OE1-NH2 2.81Å; E156-R168 PolarHBondContact OE1-NH2 2.99Å; E156-R168 IonicContact OE2-CZ 3.33Å; E156-R168 IonicContact OE2-NE 2.74Å; E156-R168 PolarHBondContact OE2-NE 3.3Å; E156-R168 IonicContact OE2-NH2 3.7Å; E156-R168 PolarHBondContact OE2-NH2 3.02Å; R168-I170 HydrophobicContact CB-CG2 4.4Å; R168-I170 PolarHBondContact O-N 3.41Å; R168-E171 HydrophobicContact CB-CG 4.41Å; R168-E171 WeakPolarHBondContact CD-OE1 3.34Å; R168-E171 IonicContact CZ-OE1 2.86Å; R168-E171 IonicContact NE-OE1 2.71Å; R168-E171 IonicContact NH1-OE1 3.43Å; R168-E171 PolarHBondContact NH1-OE1 3.02Å; R168-E171 PolarHBondContact O-N 3.36Å
169	A	96.6	Very high	95	Very high	1 Å²	1	38 Å²	38	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-58.1	-38.3	-174.2	0	0	0	0	0	111.2	T157 L159 V167 E171 V172 F173 F218	T157-A169 WeakPolarHBondContact O-CB 3.34Å; T157-A169 PolarHBondContact O-N 3.11Å; L159-A169 HydrophobicContact CD1-CB 4.11Å; L159-A169 HydrophobicContact CG-CB 3.79Å; V167-A169 PolarHBondContact O-N 3.47Å; A169-E171 PolarHBondContact O-N 2.99Å; A169-V172 PolarHBondContact O-N 3.29Å; A169-F173 VanDerWaalsContact O-CD2 3.26Å; A169-F173 WeakPolarHBondContact O-CD2 3.4Å; A169-F173 PolarHBondContact O-N 2.85Å; A169-F218 HydrophobicContact CB-CE2 4.33Å; A169-F218 HydrophobicContact CB-CZ 3.7Å
170	I	96.3	Very high	95.1	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-60.3	-34.6	-176	-163.3	76.1	0	0	0	112.2	M155 R168 A174 F218 E221 A222 L225	M155-I170 HydrophobicContact CE-CB 4.48Å; M155-I170 HydrophobicContact CE-CD1 3.83Å; M155-I170 HydrophobicContact CE-CG1 3.75Å; M155-I170 HydrophobicContact SD-CD1 4.17Å; R168-I170 HydrophobicContact CB-CG2 4.4Å; R168-I170 PolarHBondContact O-N 3.41Å; I170-A174 WeakPolarHBondContact O-CB 3.35Å; I170-A174 PolarHBondContact O-N 2.84Å; I170-F218 HydrophobicContact CB-CE2 4.18Å; I170-F218 HydrophobicContact CB-CZ 3.93Å; I170-F218 HydrophobicContact CD1-CD1 4.08Å; I170-F218 HydrophobicContact CD1-CD2 4.08Å; I170-F218 HydrophobicContact CD1-CE1 3.83Å; I170-F218 HydrophobicContact CD1-CE2 3.86Å; I170-F218 HydrophobicContact CD1-CG 4.2Å; I170-F218 HydrophobicContact CD1-CZ 3.73Å; I170-F218 HydrophobicContact CG1-CZ 4.45Å; I170-E221 HydrophobicContact CD1-CB 4.08Å; I170-A222 HydrophobicContact CD1-CB 3.92Å; I170-L225 HydrophobicContact CD1-CD1 4.32Å; I170-L225 HydrophobicContact CG1-CD1 3.43Å; I170-L225 VanDerWaalsContact CG1-CD1 3.43Å
171	E	96.6	Very high	95.2	Very high	66 Å²	66	34.6 Å²	34.6	31%	0.308	17%	0.166	S	C	.	.	H	α-helix	trans	-69.8	-44.2	178.5	-69.9	157.1	-158.4	0	0	111.3	R168 A169 F173 A174 H175	R168-E171 HydrophobicContact CB-CG 4.41Å; R168-E171 WeakPolarHBondContact CD-OE1 3.34Å; R168-E171 IonicContact CZ-OE1 2.86Å; R168-E171 IonicContact NE-OE1 2.71Å; R168-E171 IonicContact NH1-OE1 3.43Å; R168-E171 PolarHBondContact NH1-OE1 3.02Å; R168-E171 PolarHBondContact O-N 3.36Å; A169-E171 PolarHBondContact O-N 2.99Å; E171-F173 PolarHBondContact O-N 3.29Å; E171-A174 PolarHBondContact O-N 3.13Å; E171-H175 WeakPolarHBondContact O-CB 2.96Å; E171-H175 PolarHBondContact O-CD2 3.09Å; E171-H175 PolarHBondContact O-N 3.49Å
172	V	97.8	Very high	95.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.9	-42.6	176.9	178	0	0	0	0	111.3	L107 F140 F143 L159 V167 A169 A176	L107-V172 HydrophobicContact CD1-CG1 4.34Å; L107-V172 WeakPolarHBondContact CD1-O 3.36Å; L107-V172 HydrophobicContact CD2-CG1 4.33Å; F140-V172 HydrophobicContact CD2-CG1 4.33Å; F140-V172 HydrophobicContact CD2-CG2 4.34Å; F140-V172 HydrophobicContact CE1-CG2 4.26Å; F140-V172 HydrophobicContact CE2-CG2 3.99Å; F140-V172 HydrophobicContact CG-CG1 4.3Å; F140-V172 HydrophobicContact CZ-CG2 3.95Å; F143-V172 HydrophobicContact CD1-CG1 4.41Å; F143-V172 HydrophobicContact CD2-CG1 4.12Å; F143-V172 HydrophobicContact CE1-CG1 4.3Å; F143-V172 HydrophobicContact CE2-CG1 4Å; F143-V172 HydrophobicContact CG-CG1 4.33Å; F143-V172 HydrophobicContact CZ-CG1 4.09Å; L159-V172 HydrophobicContact CD1-CB 3.68Å; L159-V172 HydrophobicContact CD1-CG1 3.74Å; L159-V172 HydrophobicContact CD1-CG2 3.92Å; V167-V172 HydrophobicContact CB-CG2 4.35Å; V167-V172 HydrophobicContact CG1-CG2 3.99Å; A169-V172 PolarHBondContact O-N 3.29Å; V172-A176 PolarHBondContact O-N 2.91Å; V172-A176 VanDerWaalsContact O-N 3.11Å
173	F	97.9	Very high	95.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-70.1	-40.3	176.5	-80.9	-107.1	0	0	0	112.2	F67 F143 I147 L159 A169 E171 A176 L177 F218 M219 A222	F67-F173 HydrophobicContact CD1-CD1 4.45Å; F67-F173 HydrophobicContact CD1-CE1 4.28Å; F67-F173 AromaticContact CE1-CD1 3.61Å; F67-F173 HydrophobicContact CE1-CD1 3.61Å; F67-F173 AromaticContact CE1-CE1 3.52Å; F67-F173 HydrophobicContact CE1-CE1 3.52Å; F67-F173 AromaticContact CZ-CD1 3.85Å; F67-F173 HydrophobicContact CZ-CD1 3.85Å; F67-F173 HydrophobicContact CZ-CE1 4.2Å; F143-F173 AromaticContact CD2-CD2 3.91Å; F143-F173 HydrophobicContact CD2-CD2 3.91Å; F143-F173 HydrophobicContact CD2-CE1 4.32Å; F143-F173 AromaticContact CD2-CE2 3.48Å; F143-F173 HydrophobicContact CD2-CE2 3.48Å; F143-F173 VanDerWaalsContact CD2-CE2 3.48Å; F143-F173 AromaticContact CD2-CZ 3.7Å; F143-F173 HydrophobicContact CD2-CZ 3.7Å; F143-F173 HydrophobicContact CE2-CD1 4.31Å; F143-F173 AromaticContact CE2-CD2 3.95Å; F143-F173 HydrophobicContact CE2-CD2 3.95Å; F143-F173 HydrophobicContact CE2-CE1 4.24Å; F143-F173 AromaticContact CE2-CE2 3.93Å; F143-F173 HydrophobicContact CE2-CE2 3.93Å; F143-F173 HydrophobicContact CE2-CG 4.2Å; F143-F173 HydrophobicContact CE2-CZ 4.07Å; I147-F173 HydrophobicContact CD1-CD1 4.02Å; I147-F173 HydrophobicContact CD1-CD2 4.32Å; I147-F173 HydrophobicContact CD1-CE1 3.35Å; I147-F173 HydrophobicContact CD1-CE2 3.67Å; I147-F173 HydrophobicContact CD1-CG 4.45Å; I147-F173 HydrophobicContact CD1-CZ 3.13Å; I147-F173 HydrophobicContact CG1-CE1 4.35Å; I147-F173 HydrophobicContact CG1-CE2 4.05Å; I147-F173 HydrophobicContact CG1-CZ 3.67Å; L159-F173 HydrophobicContact CD1-CD2 4.36Å; L159-F173 HydrophobicContact CD1-CE2 4.12Å; A169-F173 VanDerWaalsContact O-CD2 3.26Å; A169-F173 WeakPolarHBondContact O-CD2 3.4Å; A169-F173 PolarHBondContact O-N 2.85Å; E171-F173 PolarHBondContact O-N 3.29Å; F173-A176 PolarHBondContact O-N 3.41Å; F173-L177 WeakPolarHBondContact O-CG 3.49Å; F173-L177 PolarHBondContact O-N 3.02Å; F173-F218 HydrophobicContact CB-CE1 4.24Å; F173-F218 HydrophobicContact CD1-CE1 4.48Å; F173-F218 HydrophobicContact CD2-CE1 4.02Å; F173-F218 HydrophobicContact CE2-CE1 4.39Å; F173-F218 HydrophobicContact CG-CE1 4.01Å; F173-M219 HydrophobicContact CD1-CE 4.17Å; F173-M219 HydrophobicContact CD1-SD 3.57Å; F173-M219 VanDerWaalsContact CD1-SD 3.57Å; F173-M219 HydrophobicContact CE1-SD 3.72Å; F173-A222 HydrophobicContact CB-CB 3.87Å
174	A	97.9	Very high	95.6	Very high	12 Å²	12	35.6 Å²	35.6	10%	0.099	17%	0.166	C	C	.	.	H	α-helix	trans	-61.6	-44.2	175.6	0	0	0	0	0	111.4	I170 E171 A176 L177 H178 L225 A226	I170-A174 WeakPolarHBondContact O-CB 3.35Å; I170-A174 PolarHBondContact O-N 2.84Å; E171-A174 PolarHBondContact O-N 3.13Å; A174-A176 PolarHBondContact O-N 2.89Å; A174-L177 PolarHBondContact O-N 3.4Å; A174-H178 WeakPolarHBondContact O-CB 3.43Å; A174-H178 PolarHBondContact O-N 2.62Å; A174-L225 HydrophobicContact CB-CB 3.83Å; A174-A226 HydrophobicContact CB-CB 4.49Å; A174-A226 VanDerWaalsContact O-CB 3.29Å; A174-A226 WeakPolarHBondContact O-CB 3.26Å
175	H	98.3	Very high	95.8	Very high	55 Å²	55	36 Å²	36	26%	0.255	16%	0.16	S	C	.	.	H	α-helix	trans	-60.5	-42.4	174.2	-74.6	-46.8	0	0	0	112.9	L107 F115 E171 H178 F179	L107-H175 HydrophobicContact CD1-CB 3.83Å; F115-H175 HydrophobicContact CB-CB 4.37Å; F115-H175 HydrophobicContact CD2-CB 3.85Å; F115-H175 HydrophobicContact CG-CB 4.41Å; E171-H175 WeakPolarHBondContact O-CB 2.96Å; E171-H175 PolarHBondContact O-CD2 3.09Å; E171-H175 PolarHBondContact O-N 3.49Å; H175-H178 PolarHBondContact O-N 2.91Å; H175-F179 PolarHBondContact O-N 2.97Å
176	A	97.5	Very high	95.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.5	-41.3	177.4	0	0	0	0	0	112.7	F67 L107 F118 F143 V172 F173 A174 F180	F67-A176 HydrophobicContact CE2-CB 3.69Å; F67-A176 HydrophobicContact CZ-CB 3.83Å; L107-A176 HydrophobicContact CD1-CB 3.9Å; F118-A176 HydrophobicContact CD2-CB 3.97Å; F118-A176 HydrophobicContact CE2-CB 3.7Å; F143-A176 HydrophobicContact CZ-CB 4.21Å; V172-A176 PolarHBondContact O-N 2.91Å; V172-A176 VanDerWaalsContact O-N 3.11Å; F173-A176 PolarHBondContact O-N 3.41Å; A174-A176 PolarHBondContact O-N 2.89Å; A176-F180 WeakPolarHBondContact O-CD2 3.39Å; A176-F180 PolarHBondContact O-N 3.25Å
177	L	98.3	Very high	95.5	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-69.6	-37.7	175.6	-70.7	172.8	0	0	0	111.8	I65 F67 F173 A174 F180 R181 I205 M219 A222 A223 A226 L228	I65-L177 HydrophobicContact CD1-CD2 4.12Å; I65-L177 HydrophobicContact CG2-CD2 4.41Å; F67-L177 HydrophobicContact CD2-CD2 3.75Å; F67-L177 HydrophobicContact CD2-CG 4.42Å; F67-L177 HydrophobicContact CE2-CD2 4.08Å; F67-L177 HydrophobicContact CE2-CG 4.27Å; F173-L177 WeakPolarHBondContact O-CG 3.49Å; F173-L177 PolarHBondContact O-N 3.02Å; A174-L177 PolarHBondContact O-N 3.4Å; L177-F180 PolarHBondContact O-N 3.11Å; L177-R181 WeakPolarHBondContact O-CB 3.37Å; L177-R181 PolarHBondContact O-N 3.12Å; L177-I205 HydrophobicContact CD1-CD1 4.16Å; L177-I205 HydrophobicContact CD2-CD1 4Å; L177-M219 HydrophobicContact CD1-CE 4.29Å; L177-A222 HydrophobicContact CD1-CB 3.84Å; L177-A223 HydrophobicContact CD1-CB 4.15Å; L177-A226 HydrophobicContact CB-CB 3.65Å; L177-L228 HydrophobicContact CB-CD1 4.08Å
178	H	97.6	Very high	95.2	Very high	77 Å²	77	30.7 Å²	30.7	36%	0.356	14%	0.138	S	C	.	.	H	α-helix	trans	-64.1	-41.4	176.6	-175	72.2	0	0	0	111.6	A174 H175 F180 R181 E182 A226	A174-H178 WeakPolarHBondContact O-CB 3.43Å; A174-H178 PolarHBondContact O-N 2.62Å; H175-H178 PolarHBondContact O-N 2.91Å; H178-F180 VanDerWaalsContact C-N 3.34Å; H178-F180 PolarHBondContact O-N 3.07Å; H178-R181 WeakPolarHBondContact O-CB 3.39Å; H178-R181 PolarHBondContact O-N 2.61Å; H178-E182 IonicContact CE1-OE1 2.8Å; H178-E182 PolarHBondContact O-N 2.75Å; H178-A226 HydrophobicContact CB-CB 4.02Å; H178-A226 PolarHBondContact ND1-O 2.7Å
179	F	96.3	Very high	94.8	Very high	26 Å²	26	34 Å²	34	11%	0.114	16%	0.155	C	C	.	.	H	α-helix	trans	-55.7	-46.9	171.7	169.5	-96.3	0	0	0	112.2	W91 F115 F118 H175 H183	W91-F179 HydrophobicContact CB-CZ 4.37Å; W91-F179 AromaticContact CD1-CE2 3.98Å; W91-F179 AromaticContact CD1-CZ 3.99Å; W91-F179 HydrophobicContact CG-CE2 4.42Å; W91-F179 HydrophobicContact CG-CZ 4.15Å; F115-F179 HydrophobicContact CE1-CD2 4.29Å; F115-F179 HydrophobicContact CE2-CB 4.41Å; F115-F179 HydrophobicContact CZ-CB 3.87Å; F115-F179 AromaticContact CZ-CD2 3.85Å; F115-F179 HydrophobicContact CZ-CD2 3.85Å; F115-F179 HydrophobicContact CZ-CG 4.11Å; F118-F179 HydrophobicContact CB-CB 4.34Å; F118-F179 HydrophobicContact CB-CD1 3.69Å; F118-F179 HydrophobicContact CB-CD2 4.07Å; F118-F179 HydrophobicContact CB-CE1 3.98Å; F118-F179 HydrophobicContact CB-CE2 4.32Å; F118-F179 HydrophobicContact CB-CG 3.74Å; F118-F179 HydrophobicContact CB-CZ 4.28Å; F118-F179 AromaticContact CD1-CD1 3.69Å; F118-F179 HydrophobicContact CD1-CD1 3.69Å; F118-F179 AromaticContact CD1-CE1 3.66Å; F118-F179 HydrophobicContact CD1-CE1 3.66Å; F118-F179 AromaticContact CG-CD1 3.8Å; F118-F179 HydrophobicContact CG-CD1 3.8Å; F118-F179 HydrophobicContact CG-CE1 4.13Å; F118-F179 HydrophobicContact CG-CG 4.27Å; H175-F179 PolarHBondContact O-N 2.97Å; F179-H183 WeakPolarHBondContact O-CB 3.28Å; F179-H183 PolarHBondContact O-N 2.92Å; F179-H183 VanDerWaalsContact O-N 3.15Å
180	F	96.1	Very high	94.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67.4	-35.6	176.9	-73	-55	0	0	0	112.9	I65 F67 S72 Y74 F118 A176 L177 H178 A184	I65-F180 HydrophobicContact CD1-CB 3.86Å; I65-F180 HydrophobicContact CG1-CB 4.34Å; I65-F180 HydrophobicContact CG2-CD2 3.98Å; I65-F180 HydrophobicContact CG2-CE2 4.47Å; I65-F180 HydrophobicContact CG2-CG 4.34Å; F67-F180 HydrophobicContact CD2-CE2 4.33Å; F67-F180 HydrophobicContact CE2-CE2 4.42Å; S72-F180 VanDerWaalsContact CB-CZ 3.46Å; Y74-F180 HydrophobicContact CD1-CB 4.28Å; Y74-F180 AromaticContact CD1-CD1 3.76Å; Y74-F180 HydrophobicContact CD1-CD1 3.76Å; Y74-F180 HydrophobicContact CD1-CG 4.42Å; Y74-F180 HydrophobicContact CE1-CD1 4.26Å; F118-F180 HydrophobicContact CD1-CZ 4.12Å; F118-F180 HydrophobicContact CE1-CE1 4.22Å; F118-F180 AromaticContact CE1-CE2 3.83Å; F118-F180 HydrophobicContact CE1-CE2 3.83Å; F118-F180 AromaticContact CE1-CZ 3.39Å; F118-F180 HydrophobicContact CE1-CZ 3.39Å; F118-F180 AromaticContact CZ-CE2 3.81Å; F118-F180 HydrophobicContact CZ-CE2 3.81Å; F118-F180 AromaticContact CZ-CZ 3.82Å; F118-F180 HydrophobicContact CZ-CZ 3.82Å; A176-F180 WeakPolarHBondContact O-CD2 3.39Å; A176-F180 PolarHBondContact O-N 3.25Å; L177-F180 PolarHBondContact O-N 3.11Å; H178-F180 VanDerWaalsContact C-N 3.34Å; H178-F180 PolarHBondContact O-N 3.07Å; F180-A184 WeakPolarHBondContact O-CB 3.2Å; F180-A184 PolarHBondContact O-N 3.22Å
181	R	95.2	Very high	93.6	Very high	66 Å²	66	42.6 Å²	42.6	25%	0.249	20%	0.198	C	C	.	.	H	α-helix	trans	-58.4	-57.4	174	-178.4	-154.8	-173.6	-100.4	3	111	L177 H178 H183 A184 L185 W203 A226 G227 L228	L177-R181 WeakPolarHBondContact O-CB 3.37Å; L177-R181 PolarHBondContact O-N 3.12Å; H178-R181 WeakPolarHBondContact O-CB 3.39Å; H178-R181 PolarHBondContact O-N 2.61Å; R181-H183 VanDerWaalsContact C-N 3.32Å; R181-H183 PolarHBondContact O-N 3.02Å; R181-A184 PolarHBondContact O-N 3.06Å; R181-L185 HydrophobicContact CG-CD1 3.86Å; R181-L185 HydrophobicContact CG-CG 4.34Å; R181-L185 WeakPolarHBondContact O-CB 3.09Å; R181-L185 VanDerWaalsContact O-CG 3.26Å; R181-L185 WeakPolarHBondContact O-CG 3.29Å; R181-L185 PolarHBondContact O-N 2.96Å; R181-W203 HydrophobicContact CB-CH2 4.19Å; R181-W203 HydrophobicContact CG-CH2 4.02Å; R181-W203 HydrophobicContact CG-CZ2 4.02Å; R181-A226 WeakPolarHBondContact CD-O 3.44Å; R181-G227 PolarHBondContact NE-O 2.82Å; R181-G227 PolarHBondContact NH2-O 3.24Å; R181-L228 HydrophobicContact CB-CD1 3.84Å; R181-L228 HydrophobicContact CB-CG 4.28Å; R181-L228 HydrophobicContact CG-CD1 4.25Å; R181-L228 HydrophobicContact CG-CG 4.41Å
182	E	93.9	Very high	92.7	Very high	88 Å²	88	40.6 Å²	40.6	41%	0.411	19%	0.192	S	C	.	.	H	α-helix	trans	-59.3	-43.3	-177.8	-67.4	-52.6	109.6	0	0	111.9	H178 K186	H178-E182 IonicContact CE1-OE1 2.8Å; H178-E182 PolarHBondContact O-N 2.75Å; E182-K186 WeakPolarHBondContact O-CB 3.39Å; E182-K186 PolarHBondContact O-N 3.12Å; E182-K186 VanDerWaalsContact O-N 3.09Å
183	H	92.2	Very high	91.2	Very high	11 Å²	11	47 Å²	47	5%	0.051	24%	0.237	C	C	.	.	H	α-helix	trans	-67.2	-44.3	179.5	-171.7	-144.8	0	0	0	111.8	Y74 K89 W91 F179 R181 K186 E187	Y74-H183 HydrophobicContact CE1-CB 3.97Å; Y74-H183 AromaticContact CE1-CG 3.93Å; Y74-H183 AromaticContact CE1-ND1 3.5Å; Y74-H183 WeakPolarHBondContact CE1-ND1 3.47Å; Y74-H183 AromaticContact CZ-CG 4Å; Y74-H183 AromaticContact CZ-ND1 3.64Å; Y74-H183 PolarHBondContact OH-CD2 2.56Å; Y74-H183 PolarHBondContact OH-CE1 3.07Å; Y74-H183 PolarHBondContact OH-ND1 3.21Å; Y74-H183 PolarHBondContact OH-NE2 3.43Å; Y74-H183 PolarHBondContact OH-O 3Å; K89-H183 PolarHBondContact O-CE1 3.32Å; W91-H183 AromaticContact CE3-CD2 3.25Å; W91-H183 AromaticContact CE3-CE1 3.95Å; W91-H183 AromaticContact CE3-CG 3.94Å; W91-H183 AromaticContact CE3-NE2 3.27Å; W91-H183 VanDerWaalsContact CE3-NE2 3.27Å; W91-H183 AromaticContact CZ3-CD2 3.42Å; W91-H183 VanDerWaalsContact CZ3-CD2 3.42Å; W91-H183 WeakPolarHBondContact CZ3-CD2 3.43Å; W91-H183 AromaticContact CZ3-NE2 3.8Å; F179-H183 WeakPolarHBondContact O-CB 3.28Å; F179-H183 PolarHBondContact O-N 2.92Å; F179-H183 VanDerWaalsContact O-N 3.15Å; R181-H183 VanDerWaalsContact C-N 3.32Å; R181-H183 PolarHBondContact O-N 3.02Å; H183-K186 PolarHBondContact O-N 3.15Å; H183-E187 IonicContact CE1-OE1 2.76Å; H183-E187 PolarHBondContact CE1-OE1 2.93Å; H183-E187 IonicContact NE2-OE1 2.7Å; H183-E187 PolarHBondContact O-N 3.06Å
184	A	93.1	Very high	89.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.8	-45.7	177.2	0	0	0	0	0	112.1	V63 Y74 F180 R181 K186 E187 V188 W203	V63-A184 HydrophobicContact CG1-CB 3.9Å; Y74-A184 HydrophobicContact CD1-CB 4.05Å; Y74-A184 HydrophobicContact CD2-CB 3.89Å; Y74-A184 HydrophobicContact CE1-CB 3.87Å; Y74-A184 HydrophobicContact CE2-CB 3.75Å; Y74-A184 HydrophobicContact CG-CB 4.06Å; Y74-A184 VanDerWaalsContact CZ-CA 3.44Å; Y74-A184 PolarHBondContact OH-N 3.02Å; F180-A184 WeakPolarHBondContact O-CB 3.2Å; F180-A184 PolarHBondContact O-N 3.22Å; R181-A184 PolarHBondContact O-N 3.06Å; A184-K186 VanDerWaalsContact C-N 3.29Å; A184-K186 PolarHBondContact O-N 2.89Å; A184-E187 PolarHBondContact O-N 3.19Å; A184-E187 VanDerWaalsContact O-N 3.12Å; A184-V188 VanDerWaalsContact O-CG2 3.23Å; A184-V188 WeakPolarHBondContact O-CG2 3.24Å; A184-V188 PolarHBondContact O-N 3.04Å; A184-W203 HydrophobicContact CB-CH2 4.11Å; A184-W203 HydrophobicContact CB-CZ3 4.33Å
185	L	92.3	Very high	87.9	Confident	48 Å²	48	55.5 Å²	55.5	25%	0.251	29%	0.29	S	S	.	.	H	α-helix	trans	-58.6	-41.6	177.4	-71.4	178.7	0	0	0	111.9	R181 K189 I201 W203	R181-L185 HydrophobicContact CG-CD1 3.86Å; R181-L185 HydrophobicContact CG-CG 4.34Å; R181-L185 WeakPolarHBondContact O-CB 3.09Å; R181-L185 VanDerWaalsContact O-CG 3.26Å; R181-L185 WeakPolarHBondContact O-CG 3.29Å; R181-L185 PolarHBondContact O-N 2.96Å; L185-K189 VanDerWaalsContact O-CB 3.26Å; L185-K189 WeakPolarHBondContact O-CB 3Å; L185-K189 PolarHBondContact O-N 2.91Å; L185-I201 HydrophobicContact CD2-CD1 3.27Å; L185-W203 HydrophobicContact CD2-CZ2 4.13Å; L185-W203 HydrophobicContact CG-CZ2 4.35Å
186	K	89.9	Confident	86.3	Confident	110 Å²	110	54.8 Å²	54.8	48%	0.478	29%	0.287	S	S	.	.	H	α-helix	trans	-60.9	-47.8	173.7	-177.1	179.3	178.1	-179.3	0	111.5	W91 E182 H183 A184 K189 D190	W91-K186 HydrophobicContact CH2-CD 4.43Å; W91-K186 HydrophobicContact CZ3-CD 4.32Å; E182-K186 WeakPolarHBondContact O-CB 3.39Å; E182-K186 PolarHBondContact O-N 3.12Å; E182-K186 VanDerWaalsContact O-N 3.09Å; H183-K186 PolarHBondContact O-N 3.15Å; A184-K186 VanDerWaalsContact C-N 3.29Å; A184-K186 PolarHBondContact O-N 2.89Å; K186-K189 PolarHBondContact O-N 3.47Å; K186-D190 VanDerWaalsContact O-CG 3.29Å; K186-D190 PolarHBondContact O-N 3.13Å
187	E	88.9	Confident	84.8	Confident	3 Å²	3	61.6 Å²	61.6	1%	0.014	32%	0.319	C	S	.	.	H	α-helix	trans	-67.1	-40.1	-179.6	-83	-154	-115.8	0	0	115	Y74 F76 M88 K89 H183 A184 K189 D190 Q191	Y74-E187 PolarHBondContact OH-OE1 2.93Å; F76-E187 HydrophobicContact CE1-CB 4.06Å; F76-E187 HydrophobicContact CZ-CB 4.45Å; M88-E187 WeakPolarHBondContact CA-OE1 3.19Å; K89-E187 WeakPolarHBondContact CB-OE1 3.2Å; K89-E187 HydrophobicContact CD-CG 3.8Å; K89-E187 VanDerWaalsContact CD-OE2 3.29Å; K89-E187 WeakPolarHBondContact CD-OE2 3.28Å; K89-E187 WeakPolarHBondContact CE-OE2 3.46Å; K89-E187 HydrophobicContact CG-CG 4.36Å; K89-E187 WeakPolarHBondContact CG-OE2 3.19Å; K89-E187 PolarHBondContact N-OE1 3.23Å; K89-E187 PolarHBondContact N-OE2 3.18Å; K89-E187 IonicContact NZ-OE2 2.72Å; H183-E187 IonicContact CE1-OE1 2.76Å; H183-E187 PolarHBondContact CE1-OE1 2.93Å; H183-E187 IonicContact NE2-OE1 2.7Å; H183-E187 PolarHBondContact O-N 3.06Å; A184-E187 PolarHBondContact O-N 3.19Å; A184-E187 VanDerWaalsContact O-N 3.12Å; E187-K189 VanDerWaalsContact C-N 3.3Å; E187-D190 WeakPolarHBondContact O-CB 3.29Å; E187-D190 PolarHBondContact O-N 3.01Å; E187-Q191 PolarHBondContact O-N 3.34Å
188	V	89.8	Confident	83	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.006	35%	0.347	C	S	.	.	H	α-helix	trans	-66.1	-40	176.8	-178.9	0	0	0	0	109	V61 V63 F76 F78 A184 Q191 S192 L196	V61-V188 HydrophobicContact CG1-CG1 3.99Å; V61-V188 HydrophobicContact CG1-CG2 4.37Å; V61-V188 HydrophobicContact CG2-CG1 3.99Å; V63-V188 HydrophobicContact CG2-CG2 4.24Å; F76-V188 HydrophobicContact CB-CG2 4.27Å; F76-V188 HydrophobicContact CD1-CG2 3.89Å; F76-V188 HydrophobicContact CD2-CG2 3.74Å; F76-V188 HydrophobicContact CE1-CG2 4.03Å; F76-V188 HydrophobicContact CE2-CB 4.43Å; F76-V188 HydrophobicContact CE2-CG2 3.87Å; F76-V188 HydrophobicContact CG-CG2 3.72Å; F76-V188 HydrophobicContact CZ-CG2 3.99Å; F78-V188 HydrophobicContact CE1-CG1 3.82Å; F78-V188 HydrophobicContact CZ-CG1 3.93Å; A184-V188 VanDerWaalsContact O-CG2 3.23Å; A184-V188 WeakPolarHBondContact O-CG2 3.24Å; A184-V188 PolarHBondContact O-N 3.04Å; V188-Q191 PolarHBondContact O-N 2.88Å; V188-S192 WeakPolarHBondContact O-CB 3.36Å; V188-S192 PolarHBondContact O-N 3.44Å; V188-L196 HydrophobicContact CB-CD1 4.36Å; V188-L196 HydrophobicContact CG1-CD1 3.25Å
189	K	88.1	Confident	81.5	Confident	147 Å²	147	66.8 Å²	66.8	64%	0.639	36%	0.359	S	S	*	.	H	α-helix	trans	-64.9	-35.2	173.1	-173.4	176.3	-179.8	176.7	0	113.3	L185 K186 E187 Q191	L185-K189 VanDerWaalsContact O-CB 3.26Å; L185-K189 WeakPolarHBondContact O-CB 3Å; L185-K189 PolarHBondContact O-N 2.91Å; K186-K189 PolarHBondContact O-N 3.47Å; E187-K189 VanDerWaalsContact C-N 3.3Å; K189-Q191 PolarHBondContact O-N 2.96Å
190	D	86	Confident	80.9	Confident	99 Å²	99	68.8 Å²	68.8	53%	0.529	37%	0.369	S	S	.	.	H	α-helix	trans	-65.2	-25.2	173.7	-71.4	-16.2	0	0	0	112.8	K89 K186 E187	K89-D190 IonicContact NZ-OD2 2.67Å; K89-D190 PolarHBondContact NZ-OD2 3.44Å; K186-D190 VanDerWaalsContact O-CG 3.29Å; K186-D190 PolarHBondContact O-N 3.13Å; E187-D190 WeakPolarHBondContact O-CB 3.29Å; E187-D190 PolarHBondContact O-N 3.01Å
191	Q	81.4	Confident	80.7	Confident	86 Å²	86	69 Å²	69	40%	0.402	37%	0.369	S	S	.	.	H	α-helix	trans	-104.4	-15.9	-177.8	-65.8	-163.5	63.2	0	0	113.9	F78 H86 E187 V188 K189	F78-Q191 HydrophobicContact CE2-CB 4.23Å; F78-Q191 HydrophobicContact CZ-CB 4.19Å; H86-Q191 PolarHBondContact ND1-OE1 2.9Å; E187-Q191 PolarHBondContact O-N 3.34Å; V188-Q191 PolarHBondContact O-N 2.88Å; K189-Q191 PolarHBondContact O-N 2.96Å
192	S	77.9	Confident	80.6	Confident	24 Å²	24	67.5 Å²	67.5	17%	0.168	36%	0.364	C	S	.	.			trans	-88.4	139.2	174.3	-176.7	0	0	0	0	111.6	V188 S194	V188-S192 WeakPolarHBondContact O-CB 3.36Å; V188-S192 PolarHBondContact O-N 3.44Å; S192-S194 PolarHBondContact OG-N 2.79Å; S192-S194 VanDerWaalsContact OG-N 3.15Å; S192-S194 PolarHBondContact OG-O 3.32Å; S192-S194 PolarHBondContact OG-OG 3.09Å
193	S	66.7	Low	80.8	Confident	135 Å²	135	63.5 Å²	63.5	94%	0.944	35%	0.345	S	S	*	.	S	Bend	trans	-83.8	-16.7	168.8	55.5	0	0	0	0	113.2
194	S	65.9	Low	81.1	Confident	67 Å²	67	63 Å²	63	47%	0.469	34%	0.343	S	S	.	.	S	Bend	trans	-102.3	150.4	176.5	56.3	0	0	0	0	112.1	S192 L196	S192-S194 PolarHBondContact OG-N 2.79Å; S192-S194 VanDerWaalsContact OG-N 3.15Å; S192-S194 PolarHBondContact OG-O 3.32Å; S192-S194 PolarHBondContact OG-OG 3.09Å; S194-L196 PolarHBondContact O-N 2.86Å
195	V	59.7	Low	81.3	Confident	123 Å²	123	63 Å²	63	75%	0.745	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-68.4	118	166.3	-178.8	0	0	0	0	107.7
196	L	66.4	Low	81.5	Confident	39 Å²	39	60.7 Å²	60.7	20%	0.204	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-87.1	132.7	173.7	-57.9	174.4	0	0	0	109.3	V61 V188 S194 E200	V61-L196 HydrophobicContact CG2-CD1 3.82Å; V61-L196 HydrophobicContact CG2-CD2 4.37Å; V188-L196 HydrophobicContact CB-CD1 4.36Å; V188-L196 HydrophobicContact CG1-CD1 3.25Å; S194-L196 PolarHBondContact O-N 2.86Å; L196-E200 WeakPolarHBondContact CD2-OE2 3.36Å
197	E	64.2	Low	81.8	Confident	143 Å²	143	55.4 Å²	55.4	67%	0.668	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-88.2	157.3	170	-63.8	-172.2	175.3	0	0	110.5	E199 E200	E197-E199 PolarHBondContact O-N 2.96Å; E197-E200 HydrophobicContact CB-CG 4.41Å; E197-E200 WeakPolarHBondContact O-CB 3.43Å; E197-E200 PolarHBondContact O-N 2.81Å
198	G	61.2	Low	81.9	Confident	57 Å²	57	55.3 Å²	55.3	59%	0.588	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-61.1	-29.7	-172.1	0	0	0	0	0	114.2	E200	G198-E200 VanDerWaalsContact C-N 3.26Å; G198-E200 PolarHBondContact O-N 3.19Å
199	E	66.8	Low	81.8	Confident	129 Å²	129	55.8 Å²	55.8	60%	0.603	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-74.4	-14.5	177.5	-64.3	-174.5	-178.9	0	0	113.3	E197 I201 Q236	E197-E199 PolarHBondContact O-N 2.96Å; E199-I201 PolarHBondContact O-N 3.29Å; E199-Q236 VanDerWaalsContact CA-NE2 3.32Å; E199-Q236 PolarHBondContact O-NE2 2.93Å
200	E	82.9	Confident	81.6	Confident	69 Å²	69	50.5 Å²	50.5	32%	0.322	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-77.9	-0.6	178.9	-58.7	-158.9	152.5	0	0	113.8	F59 S60 V61 L196 E197 G198	F59-E200 CarbonylContact C-O 3.51Å; F59-E200 VanDerWaalsContact CA-O 3.3Å; F59-E200 WeakPolarHBondContact CA-O 3.45Å; F59-E200 WeakPolarHBondContact CB-O 3.26Å; S60-E200 PolarHBondContact N-O 3.45Å; S60-E200 WeakPolarHBondContact OG-CB 3.2Å; S60-E200 PolarHBondContact OG-OE2 3.33Å; V61-E200 PolarHBondContact N-O 3.22Å; V61-E200 VanDerWaalsContact N-O 3.1Å; L196-E200 WeakPolarHBondContact CD2-OE2 3.36Å; E197-E200 HydrophobicContact CB-CG 4.41Å; E197-E200 WeakPolarHBondContact O-CB 3.43Å; E197-E200 PolarHBondContact O-N 2.81Å; G198-E200 VanDerWaalsContact C-N 3.26Å; G198-E200 PolarHBondContact O-N 3.19Å
201	I	91.4	Very high	81.6	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.015	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.9	-173.1	-56.4	178.1	0	0	0	110.9	V61 V63 L185 E199 W203	V61-I201 HydrophobicContact CB-CG1 4.41Å; V63-I201 HydrophobicContact CB-CG2 4.27Å; V63-I201 HydrophobicContact CG2-CG2 3.73Å; L185-I201 HydrophobicContact CD2-CD1 3.27Å; E199-I201 PolarHBondContact O-N 3.29Å; I201-W203 HydrophobicContact CG2-CD2 4.28Å; I201-W203 HydrophobicContact CG2-CG 4.42Å; I201-W203 HydrophobicContact CG2-CZ2 4.09Å
202	R	95	Very high	81.7	Confident	35 Å²	35	49.6 Å²	49.6	13%	0.132	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	122.5	164.7	170.7	171.8	-77.1	173.5	1.5	109.8	F59 V61 V62 V63 Q236 L238 G528	F59-R202 HydrophobicContact CB-CB 4.19Å; F59-R202 HydrophobicContact CD1-CB 4.32Å; F59-R202 HydrophobicContact CD2-CB 3.71Å; F59-R202 HydrophobicContact CE2-CB 4.17Å; F59-R202 HydrophobicContact CG-CB 3.8Å; F59-R202 VanDerWaalsContact CZ-NH1 3.25Å; V61-R202 PolarHBondContact O-N 3.26Å; V62-R202 CarbonylContact C-O 3.59Å; V62-R202 WeakPolarHBondContact CA-O 3.24Å; V62-R202 HydrophobicContact CG2-CB 4.39Å; V63-R202 PolarHBondContact N-O 3.34Å; R202-Q236 CarbonylContact C-O 3.51Å; R202-Q236 WeakPolarHBondContact CA-O 3.2Å; R202-L238 HydrophobicContact CG-CD1 4.45Å; R202-L238 HydrophobicContact CG-CG 4.49Å; R202-G528 WeakPolarHBondContact CD-O 3.41Å; R202-G528 PolarHBondContact NH1-O 2.81Å
203	W	97	Very high	81.9	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.015	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	140.7	173.4	-64.9	86.1	0	0	0	111.1	V63 I65 R181 A184 L185 I201 L228 V229 Q236 L237 L238	V63-W203 HydrophobicContact CB-CD2 4.38Å; V63-W203 HydrophobicContact CB-CE3 3.89Å; V63-W203 HydrophobicContact CB-CH2 4.36Å; V63-W203 HydrophobicContact CB-CZ3 3.89Å; V63-W203 HydrophobicContact CG1-CE3 3.82Å; V63-W203 HydrophobicContact CG1-CH2 4.08Å; V63-W203 HydrophobicContact CG1-CZ3 3.43Å; V63-W203 VanDerWaalsContact CG1-CZ3 3.43Å; V63-W203 CarbonylContact O-C 3.59Å; V63-W203 WeakPolarHBondContact O-CA 3.38Å; I65-W203 HydrophobicContact CD1-CE3 4.02Å; I65-W203 HydrophobicContact CD1-CZ3 4Å; I65-W203 HydrophobicContact CG1-CE3 4.38Å; I65-W203 HydrophobicContact CG1-CZ3 4.38Å; R181-W203 HydrophobicContact CB-CH2 4.19Å; R181-W203 HydrophobicContact CG-CH2 4.02Å; R181-W203 HydrophobicContact CG-CZ2 4.02Å; A184-W203 HydrophobicContact CB-CH2 4.11Å; A184-W203 HydrophobicContact CB-CZ3 4.33Å; L185-W203 HydrophobicContact CD2-CZ2 4.13Å; L185-W203 HydrophobicContact CG-CZ2 4.35Å; I201-W203 HydrophobicContact CG2-CD2 4.28Å; I201-W203 HydrophobicContact CG2-CG 4.42Å; I201-W203 HydrophobicContact CG2-CZ2 4.09Å; W203-L228 HydrophobicContact CB-CD2 4.42Å; W203-L228 HydrophobicContact CD2-CB 4.11Å; W203-L228 HydrophobicContact CD2-CD2 3.91Å; W203-L228 HydrophobicContact CD2-CG 3.9Å; W203-L228 HydrophobicContact CE3-CD2 3.7Å; W203-L228 HydrophobicContact CE3-CG 3.97Å; W203-L228 HydrophobicContact CG-CB 4.11Å; W203-L228 HydrophobicContact CG-CD2 4.22Å; W203-L228 HydrophobicContact CG-CG 4.34Å; W203-L228 HydrophobicContact CZ3-CD2 4.35Å; W203-L228 HydrophobicContact CZ3-CG 4.35Å; W203-L228 PolarHBondContact NE1-O 3.36Å; W203-V229 HydrophobicContact CB-CG2 4.29Å; W203-V229 VanDerWaalsContact CD1-CG2 3.42Å; W203-V229 HydrophobicContact CG-CG2 4.12Å; W203-Q236 PolarHBondContact N-O 3.29Å; W203-L237 HydrophobicContact CB-CD1 3.9Å; W203-L237 WeakPolarHBondContact O-CA 3.5Å; W203-L238 PolarHBondContact O-N 3.04Å
204	V	98.2	Very high	82.8	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.3	170.5	-172	0	0	0	0	108.6	V62 V63 A64 I65 L238 A240 A524 F527	V62-V204 HydrophobicContact CG1-CG2 4.07Å; V63-V204 PolarHBondContact O-N 3.24Å; A64-V204 CarbonylContact C-O 3.57Å; A64-V204 WeakPolarHBondContact CA-O 3.26Å; A64-V204 HydrophobicContact CB-CB 3.97Å; I65-V204 PolarHBondContact N-O 2.7Å; V204-L238 CarbonylContact C-O 3.59Å; V204-L238 VanDerWaalsContact CA-O 3.3Å; V204-L238 WeakPolarHBondContact CA-O 3.32Å; V204-L238 HydrophobicContact CG2-CB 4.39Å; V204-A240 HydrophobicContact CG1-CB 3.6Å; V204-A524 HydrophobicContact CG1-CB 4.17Å; V204-F527 HydrophobicContact CG1-CD1 4.17Å
205	I	98	Very high	83.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131	172.4	-63.3	177.2	0	0	0	108.8	L177 M219 A223 L228 L237 L238 I239 A240	L177-I205 HydrophobicContact CD1-CD1 4.16Å; L177-I205 HydrophobicContact CD2-CD1 4Å; I205-M219 HydrophobicContact CG2-CE 3.86Å; I205-A223 HydrophobicContact CD1-CB 3.61Å; I205-L228 HydrophobicContact CD1-CD2 4.11Å; I205-L237 HydrophobicContact CD1-CD1 3.9Å; I205-L237 HydrophobicContact CG1-CD1 3.96Å; I205-L238 PolarHBondContact N-O 2.72Å; I205-I239 HydrophobicContact CB-CD1 4.12Å; I205-I239 WeakPolarHBondContact O-CA 3.09Å; I205-A240 PolarHBondContact O-N 2.97Å
206	T	96.9	Very high	85.4	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	141	176	69.6	0	0	0	0	112.1	I65 D66 F67 A240 I520 A524	I65-T206 PolarHBondContact O-N 3.18Å; I65-T206 VanDerWaalsContact O-N 3.11Å; D66-T206 VanDerWaalsContact CA-OG1 3.27Å; D66-T206 WeakPolarHBondContact CA-OG1 3.34Å; D66-T206 HydrophobicContact CB-CG2 4.31Å; D66-T206 PolarHBondContact OD1-OG1 3.39Å; F67-T206 PolarHBondContact N-OG1 3.36Å; T206-A240 CarbonylContact C-O 3.27Å; T206-A240 WeakPolarHBondContact CA-O 3.5Å; T206-I520 HydrophobicContact CG2-CG2 3.84Å; T206-A524 HydrophobicContact CG2-CB 3.6Å
207	V	94.7	Very high	86.5	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	151.5	172.6	-60.7	0	0	0	0	111	W211 K216 M219 I239 A240 L241 E242	V207-W211 HydrophobicContact CB-CE3 3.98Å; V207-W211 HydrophobicContact CB-CZ3 4.5Å; V207-W211 HydrophobicContact CG1-CE3 4.07Å; V207-W211 HydrophobicContact CG1-CZ3 4.2Å; V207-K216 HydrophobicContact CG2-CD 4.49Å; V207-K216 HydrophobicContact CG2-CG 4.2Å; V207-M219 HydrophobicContact CG1-CB 4.43Å; V207-M219 HydrophobicContact CG1-CG 4.01Å; V207-I239 HydrophobicContact CB-CG2 4.35Å; V207-I239 HydrophobicContact CG1-CG2 4Å; V207-I239 HydrophobicContact CG2-CG2 3.41Å; V207-I239 VanDerWaalsContact CG2-CG2 3.41Å; V207-A240 PolarHBondContact N-O 3.28Å; V207-L241 HydrophobicContact CG2-CD2 3.81Å; V207-L241 CarbonylContact O-C 3.58Å; V207-L241 WeakPolarHBondContact O-CA 3.33Å; V207-E242 VanDerWaalsContact C-CD 3.44Å; V207-E242 VanDerWaalsContact C-OE1 3.23Å; V207-E242 WeakPolarHBondContact CA-OE1 3.33Å; V207-E242 WeakPolarHBondContact O-CG 3.49Å; V207-E242 PolarHBondContact O-N 2.85Å
208	P	92	Very high	87.9	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.142	C	C	.	.			trans	-59.7	143.2	174.5	-24.1	36.4	0	0	0	110.8	V210 W211 E242 D328	P208-V210 VanDerWaalsContact C-N 3.26Å; P208-V210 HydrophobicContact CB-CG2 4.33Å; P208-V210 PolarHBondContact O-N 3.47Å; P208-W211 HydrophobicContact CB-CG 4.13Å; P208-W211 HydrophobicContact CG-CD2 4.18Å; P208-W211 HydrophobicContact CG-CG 4.2Å; P208-W211 HydrophobicContact CG-CZ2 4.39Å; P208-W211 WeakPolarHBondContact O-CB 3.39Å; P208-W211 PolarHBondContact O-N 3.01Å; P208-W211 VanDerWaalsContact O-N 3.17Å; P208-E242 WeakPolarHBondContact CD-OE1 3.41Å; P208-D328 WeakPolarHBondContact CB-OD1 3.48Å
209	A	86.9	Confident	89.5	Confident	11 Å²	11	24.9 Å²	24.9	9%	0.091	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-28.2	-178.4	0	0	0	0	0	112.3	W211 L241 P243 D328 T330 A347	A209-W211 PolarHBondContact O-N 3.28Å; A209-L241 HydrophobicContact CB-CB 4.19Å; A209-L241 HydrophobicContact CB-CD1 4.1Å; A209-P243 HydrophobicContact CB-CG 3.57Å; A209-D328 PolarHBondContact N-OD1 3.4Å; A209-T330 HydrophobicContact CB-CG2 4.33Å; A209-A347 HydrophobicContact CB-CB 3.47Å; A209-A347 VanDerWaalsContact CB-CB 3.47Å
210	V	84.8	Confident	90.8	Very high	36 Å²	36	19.9 Å²	19.9	22%	0.218	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-4	174.4	-58.2	0	0	0	0	114.5	P208 R212 D328 S348	P208-V210 VanDerWaalsContact C-N 3.26Å; P208-V210 HydrophobicContact CB-CG2 4.33Å; P208-V210 PolarHBondContact O-N 3.47Å; V210-R212 PolarHBondContact O-N 3.06Å; V210-D328 WeakPolarHBondContact CG2-OD1 3.31Å; V210-D328 PolarHBondContact N-OD1 3.42Å; V210-S348 VanDerWaalsContact CG1-C 3.48Å
211	W	85.5	Confident	91.4	Very high	10 Å²	10	19.2 Å²	19.2	4%	0.038	9%	0.086	C	C	.	.			trans	-69.1	131.9	-179.6	-85.1	22	0	0	0	112.5	K144 I147 H148 V207 P208 A209 A215 K216 M219	K144-W211 HydrophobicContact CD-CH2 4.27Å; K144-W211 HydrophobicContact CD-CZ2 4.25Å; K144-W211 HydrophobicContact CG-CH2 3.7Å; K144-W211 HydrophobicContact CG-CZ2 3.71Å; I147-W211 HydrophobicContact CB-CH2 3.85Å; I147-W211 HydrophobicContact CB-CZ2 4.08Å; I147-W211 HydrophobicContact CB-CZ3 4.48Å; I147-W211 HydrophobicContact CD1-CH2 4.24Å; I147-W211 HydrophobicContact CG2-CD2 4.43Å; I147-W211 HydrophobicContact CG2-CE3 4.13Å; I147-W211 HydrophobicContact CG2-CH2 3.5Å; I147-W211 HydrophobicContact CG2-CZ2 3.85Å; I147-W211 HydrophobicContact CG2-CZ3 3.67Å; H148-W211 HydrophobicContact CB-CZ2 4.35Å; H148-W211 AromaticContact CG-NE1 3.73Å; H148-W211 AromaticContact ND1-CD1 3.49Å; H148-W211 AromaticContact ND1-NE1 3.37Å; H148-W211 PolarHBondContact ND1-NE1 3.2Å; V207-W211 HydrophobicContact CB-CE3 3.98Å; V207-W211 HydrophobicContact CB-CZ3 4.5Å; V207-W211 HydrophobicContact CG1-CE3 4.07Å; V207-W211 HydrophobicContact CG1-CZ3 4.2Å; P208-W211 HydrophobicContact CB-CG 4.13Å; P208-W211 HydrophobicContact CG-CD2 4.18Å; P208-W211 HydrophobicContact CG-CG 4.2Å; P208-W211 HydrophobicContact CG-CZ2 4.39Å; P208-W211 WeakPolarHBondContact O-CB 3.39Å; P208-W211 PolarHBondContact O-N 3.01Å; P208-W211 VanDerWaalsContact O-N 3.17Å; A209-W211 PolarHBondContact O-N 3.28Å; W211-A215 HydrophobicContact CB-CB 4.13Å; W211-A215 HydrophobicContact CD2-CB 3.81Å; W211-A215 HydrophobicContact CE3-CB 3.57Å; W211-A215 HydrophobicContact CG-CB 4.11Å; W211-A215 HydrophobicContact CZ3-CB 4.2Å; W211-K216 WeakPolarHBondContact O-CE 3.48Å; W211-M219 HydrophobicContact CZ3-CG 3.73Å; W211-M219 HydrophobicContact CZ3-SD 4.22Å
212	R	82.9	Confident	91.7	Very high	156 Å²	156	19 Å²	19	59%	0.589	9%	0.085	S	C	*	.			trans	-66.4	155.7	173.3	-57.5	178	177.4	-178.4	-2	109.9	S151 V210 P214 A215 K216	S151-R212 PolarHBondContact O-NH1 3.02Å; V210-R212 PolarHBondContact O-N 3.06Å; R212-P214 VanDerWaalsContact C-CD 3.42Å; R212-A215 WeakPolarHBondContact O-CB 3.35Å; R212-A215 PolarHBondContact O-N 3.39Å; R212-K216 PolarHBondContact O-N 3.43Å
213	Q	82.8	Confident	91.8	Very high	16 Å²	16	17.4 Å²	17.4	8%	0.075	8%	0.079	C	C	.	.	H	α-helix	trans	-54.6	-37.8	-179.7	-53.6	-61.3	81.2	0	0	115.6	A215 K216 Q217 Y543 F691	Q213-A215 VanDerWaalsContact C-N 3.28Å; Q213-A215 PolarHBondContact O-N 3.47Å; Q213-K216 PolarHBondContact O-N 3.13Å; Q213-K216 VanDerWaalsContact O-N 3.13Å; Q213-Q217 PolarHBondContact O-N 2.91Å; Q213-Y543 WeakPolarHBondContact CG-OH 3.44Å; Q213-F691 HydrophobicContact CB-CD1 3.76Å; Q213-F691 HydrophobicContact CB-CD2 3.71Å; Q213-F691 HydrophobicContact CB-CE1 3.55Å; Q213-F691 HydrophobicContact CB-CE2 3.49Å; Q213-F691 VanDerWaalsContact CB-CE2 3.49Å; Q213-F691 HydrophobicContact CB-CG 3.84Å; Q213-F691 HydrophobicContact CB-CZ 3.4Å; Q213-F691 VanDerWaalsContact CB-CZ 3.4Å; Q213-F691 HydrophobicContact CG-CE1 3.96Å; Q213-F691 HydrophobicContact CG-CE2 4.19Å; Q213-F691 HydrophobicContact CG-CZ 3.71Å
214	P	85.6	Confident	91.7	Very high	14 Å²	14	18.9 Å²	18.9	9%	0.091	9%	0.085	C	C	.	.	H	α-helix	trans	-52.8	-43.4	171.9	-19.2	23	0	0	0	113.2	L153 R212 K216 Q217 F218 F691 L692	L153-P214 HydrophobicContact CB-CB 4.37Å; L153-P214 HydrophobicContact CD2-CB 4.29Å; R212-P214 VanDerWaalsContact C-CD 3.42Å; P214-K216 VanDerWaalsContact C-N 3.32Å; P214-K216 PolarHBondContact O-N 2.67Å; P214-Q217 PolarHBondContact O-N 3.06Å; P214-F218 WeakPolarHBondContact O-CB 3.17Å; P214-F218 PolarHBondContact O-N 2.87Å; P214-F691 HydrophobicContact CB-CB 4.05Å; P214-F691 HydrophobicContact CG-CB 3.83Å; P214-L692 HydrophobicContact CB-CD2 3.91Å
215	A	89.6	Confident	91.7	Very high	5 Å²	5	24.2 Å²	24.2	4%	0.041	11%	0.113	C	C	.	.	H	α-helix	trans	-67.3	-31.9	-179.2	0	0	0	0	0	113	I147 L153 W211 R212 Q213 M219	I147-A215 HydrophobicContact CG2-CB 3.37Å; L153-A215 HydrophobicContact CD2-CB 4.11Å; W211-A215 HydrophobicContact CB-CB 4.13Å; W211-A215 HydrophobicContact CD2-CB 3.81Å; W211-A215 HydrophobicContact CE3-CB 3.57Å; W211-A215 HydrophobicContact CG-CB 4.11Å; W211-A215 HydrophobicContact CZ3-CB 4.2Å; R212-A215 WeakPolarHBondContact O-CB 3.35Å; R212-A215 PolarHBondContact O-N 3.39Å; Q213-A215 VanDerWaalsContact C-N 3.28Å; Q213-A215 PolarHBondContact O-N 3.47Å; A215-M219 WeakPolarHBondContact O-CG 3.29Å; A215-M219 PolarHBondContact O-N 3.26Å
216	K	90.1	Very high	91.6	Very high	15 Å²	15	24.3 Å²	24.3	7%	0.065	11%	0.114	C	C	.	.	H	α-helix	trans	-72.6	-45.1	174.8	-57.8	-176.2	-173.6	155.6	0	111.3	V207 W211 R212 Q213 P214 F218 M219 R220 T670	V207-K216 HydrophobicContact CG2-CD 4.49Å; V207-K216 HydrophobicContact CG2-CG 4.2Å; W211-K216 WeakPolarHBondContact O-CE 3.48Å; R212-K216 PolarHBondContact O-N 3.43Å; Q213-K216 PolarHBondContact O-N 3.13Å; Q213-K216 VanDerWaalsContact O-N 3.13Å; P214-K216 VanDerWaalsContact C-N 3.32Å; P214-K216 PolarHBondContact O-N 2.67Å; K216-F218 VanDerWaalsContact C-N 3.31Å; K216-F218 PolarHBondContact O-N 3.41Å; K216-M219 PolarHBondContact O-N 2.86Å; K216-R220 PolarHBondContact O-N 2.87Å; K216-T670 HydrophobicContact CD-CG2 4.37Å
217	Q	89.8	Confident	91.5	Very high	18 Å²	18	25.9 Å²	25.9	8%	0.084	13%	0.13	C	C	.	.	H	α-helix	trans	-59.9	-42.9	173.8	-173.9	-171.1	-13.7	0	0	110.9	Q213 P214 M219 R220 E221 I689 D690 L692	Q213-Q217 PolarHBondContact O-N 2.91Å; P214-Q217 PolarHBondContact O-N 3.06Å; Q217-M219 VanDerWaalsContact C-N 3.3Å; Q217-M219 PolarHBondContact O-N 3.45Å; Q217-R220 CarbonylContact O-C 3.44Å; Q217-R220 WeakPolarHBondContact O-CA 3.4Å; Q217-R220 WeakPolarHBondContact O-CB 3.42Å; Q217-R220 PolarHBondContact O-N 3.46Å; Q217-E221 HydrophobicContact CG-CG 4.33Å; Q217-E221 WeakPolarHBondContact O-CG 3.42Å; Q217-E221 PolarHBondContact O-N 2.72Å; Q217-I689 PolarHBondContact OE1-O 3.17Å; Q217-D690 PolarHBondContact NE2-OD1 2.84Å; Q217-L692 HydrophobicContact CB-CD1 4.1Å; Q217-L692 HydrophobicContact CB-CG 4.45Å; Q217-L692 HydrophobicContact CG-CD1 3.8Å; Q217-L692 HydrophobicContact CG-CG 4.37Å
218	F	94.1	Very high	91.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-57.2	-42.4	178.5	-175	-76.4	0	0	0	112.1	I147 L153 A169 I170 F173 P214 K216 R220 E221 A222 L692	I147-F218 HydrophobicContact CD1-CD1 3.31Å; I147-F218 HydrophobicContact CD1-CE1 3.41Å; I147-F218 VanDerWaalsContact CD1-CE1 3.41Å; I147-F218 HydrophobicContact CD1-CG 4.13Å; I147-F218 HydrophobicContact CD1-CZ 4.25Å; I147-F218 HydrophobicContact CG1-CD1 4.29Å; I147-F218 HydrophobicContact CG1-CE1 4.24Å; L153-F218 HydrophobicContact CD1-CD2 4.17Å; L153-F218 HydrophobicContact CD1-CE2 4.34Å; L153-F218 HydrophobicContact CD2-CB 3.88Å; L153-F218 HydrophobicContact CD2-CD2 4.13Å; L153-F218 HydrophobicContact CD2-CG 4.16Å; L153-F218 HydrophobicContact CG-CD2 4.17Å; A169-F218 HydrophobicContact CB-CE2 4.33Å; A169-F218 HydrophobicContact CB-CZ 3.7Å; I170-F218 HydrophobicContact CB-CE2 4.18Å; I170-F218 HydrophobicContact CB-CZ 3.93Å; I170-F218 HydrophobicContact CD1-CD1 4.08Å; I170-F218 HydrophobicContact CD1-CD2 4.08Å; I170-F218 HydrophobicContact CD1-CE1 3.83Å; I170-F218 HydrophobicContact CD1-CE2 3.86Å; I170-F218 HydrophobicContact CD1-CG 4.2Å; I170-F218 HydrophobicContact CD1-CZ 3.73Å; I170-F218 HydrophobicContact CG1-CZ 4.45Å; F173-F218 HydrophobicContact CB-CE1 4.24Å; F173-F218 HydrophobicContact CD1-CE1 4.48Å; F173-F218 HydrophobicContact CD2-CE1 4.02Å; F173-F218 HydrophobicContact CE2-CE1 4.39Å; F173-F218 HydrophobicContact CG-CE1 4.01Å; P214-F218 WeakPolarHBondContact O-CB 3.17Å; P214-F218 PolarHBondContact O-N 2.87Å; K216-F218 VanDerWaalsContact C-N 3.31Å; K216-F218 PolarHBondContact O-N 3.41Å; F218-R220 VanDerWaalsContact C-N 3.3Å; F218-R220 PolarHBondContact O-N 3.08Å; F218-E221 PolarHBondContact O-N 3.18Å; F218-A222 WeakPolarHBondContact O-CB 3.26Å; F218-A222 PolarHBondContact O-N 3.27Å; F218-L692 HydrophobicContact CB-CD1 4.17Å; F218-L692 HydrophobicContact CB-CD2 4.3Å; F218-L692 HydrophobicContact CD2-CD2 4.45Å
219	M	95.4	Very high	91.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65	-33.4	175.3	-69.3	-59.5	-58.2	0	0	112.7	F67 I147 F173 L177 I205 V207 W211 A215 K216 Q217 A223	F67-M219 HydrophobicContact CB-CE 4.31Å; F67-M219 HydrophobicContact CD1-CE 3.94Å; F67-M219 HydrophobicContact CE1-CE 4.45Å; F67-M219 HydrophobicContact CG-CE 4.01Å; I147-M219 HydrophobicContact CD1-SD 4.24Å; F173-M219 HydrophobicContact CD1-CE 4.17Å; F173-M219 HydrophobicContact CD1-SD 3.57Å; F173-M219 VanDerWaalsContact CD1-SD 3.57Å; F173-M219 HydrophobicContact CE1-SD 3.72Å; L177-M219 HydrophobicContact CD1-CE 4.29Å; I205-M219 HydrophobicContact CG2-CE 3.86Å; V207-M219 HydrophobicContact CG1-CB 4.43Å; V207-M219 HydrophobicContact CG1-CG 4.01Å; W211-M219 HydrophobicContact CZ3-CG 3.73Å; W211-M219 HydrophobicContact CZ3-SD 4.22Å; A215-M219 WeakPolarHBondContact O-CG 3.29Å; A215-M219 PolarHBondContact O-N 3.26Å; K216-M219 PolarHBondContact O-N 2.86Å; Q217-M219 VanDerWaalsContact C-N 3.3Å; Q217-M219 PolarHBondContact O-N 3.45Å; M219-A223 WeakPolarHBondContact O-CB 3.4Å; M219-A223 PolarHBondContact O-N 2.97Å
220	R	94.3	Very high	91.6	Very high	25 Å²	25	28.7 Å²	28.7	9%	0.094	15%	0.147	C	C	.	.	H	α-helix	trans	-68.6	-46.2	173.9	172.6	173.9	-68.5	-76.1	-2.8	111.7	K216 Q217 F218 A222 A223 Y224 P234 L237 E671	K216-R220 PolarHBondContact O-N 2.87Å; Q217-R220 CarbonylContact O-C 3.44Å; Q217-R220 WeakPolarHBondContact O-CA 3.4Å; Q217-R220 WeakPolarHBondContact O-CB 3.42Å; Q217-R220 PolarHBondContact O-N 3.46Å; F218-R220 VanDerWaalsContact C-N 3.3Å; F218-R220 PolarHBondContact O-N 3.08Å; R220-A222 VanDerWaalsContact C-N 3.33Å; R220-A222 PolarHBondContact O-N 3.43Å; R220-A223 WeakPolarHBondContact O-CB 3.46Å; R220-A223 PolarHBondContact O-N 3.18Å; R220-A223 VanDerWaalsContact O-N 3.13Å; R220-Y224 WeakPolarHBondContact CD-OH 3.33Å; R220-Y224 HydrophobicContact CG-CD2 4.22Å; R220-Y224 HydrophobicContact CG-CE1 4.07Å; R220-Y224 HydrophobicContact CG-CE2 3.56Å; R220-Y224 VanDerWaalsContact CG-CZ 3.47Å; R220-Y224 PolarHBondContact NH1-OH 3.06Å; R220-Y224 PolarHBondContact O-N 2.77Å; R220-P234 PolarHBondContact NH1-O 2.88Å; R220-P234 VanDerWaalsContact NH1-O 3.09Å; R220-L237 HydrophobicContact CB-CD2 4.42Å; R220-L237 HydrophobicContact CG-CD2 4.14Å; R220-L237 PolarHBondContact NH1-O 2.95Å; R220-L237 PolarHBondContact NH2-O 2.93Å; R220-E671 IonicContact CZ-OE1 3.72Å; R220-E671 IonicContact CZ-OE2 3.42Å; R220-E671 IonicContact NE-OE1 2.75Å; R220-E671 PolarHBondContact NE-OE1 3.18Å; R220-E671 IonicContact NE-OE2 3.22Å; R220-E671 PolarHBondContact NE-OE2 2.79Å; R220-E671 IonicContact NH2-OE1 3.94Å; R220-E671 IonicContact NH2-OE2 3.73Å; R220-E671 PolarHBondContact NH2-OE2 3.4Å
221	E	94.8	Very high	91.7	Very high	54 Å²	54	30.8 Å²	30.8	25%	0.252	16%	0.161	S	C	.	.	H	α-helix	trans	-62.1	-40.2	174.6	-58.8	-49.2	146.1	0	0	111.6	M155 I170 Q217 F218 A223 Y224 L225 L692	M155-E221 HydrophobicContact CE-CB 3.99Å; M155-E221 HydrophobicContact CE-CG 4.34Å; M155-E221 HydrophobicContact SD-CB 4.27Å; M155-E221 HydrophobicContact SD-CG 4.22Å; I170-E221 HydrophobicContact CD1-CB 4.08Å; Q217-E221 HydrophobicContact CG-CG 4.33Å; Q217-E221 WeakPolarHBondContact O-CG 3.42Å; Q217-E221 PolarHBondContact O-N 2.72Å; F218-E221 PolarHBondContact O-N 3.18Å; E221-A223 VanDerWaalsContact C-N 3.31Å; E221-A223 PolarHBondContact O-N 2.98Å; E221-Y224 PolarHBondContact O-N 3Å; E221-L225 WeakPolarHBondContact O-CG 3.3Å; E221-L225 PolarHBondContact O-N 2.99Å; E221-L692 HydrophobicContact CG-CD1 4.24Å
222	A	96.9	Very high	91.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.9	-36.7	174.2	0	0	0	0	0	112.1	I170 F173 L177 F218 R220 A226	I170-A222 HydrophobicContact CD1-CB 3.92Å; F173-A222 HydrophobicContact CB-CB 3.87Å; L177-A222 HydrophobicContact CD1-CB 3.84Å; F218-A222 WeakPolarHBondContact O-CB 3.26Å; F218-A222 PolarHBondContact O-N 3.27Å; R220-A222 VanDerWaalsContact C-N 3.33Å; R220-A222 PolarHBondContact O-N 3.43Å; A222-A226 WeakPolarHBondContact O-CB 3.42Å; A222-A226 PolarHBondContact O-N 3.41Å
223	A	97.3	Very high	91.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-70.3	-36.1	176.5	0	0	0	0	0	112.9	L177 I205 M219 R220 E221 G227 L228 L237	L177-A223 HydrophobicContact CD1-CB 4.15Å; I205-A223 HydrophobicContact CD1-CB 3.61Å; M219-A223 WeakPolarHBondContact O-CB 3.4Å; M219-A223 PolarHBondContact O-N 2.97Å; R220-A223 WeakPolarHBondContact O-CB 3.46Å; R220-A223 PolarHBondContact O-N 3.18Å; R220-A223 VanDerWaalsContact O-N 3.13Å; E221-A223 VanDerWaalsContact C-N 3.31Å; E221-A223 PolarHBondContact O-N 2.98Å; A223-G227 PolarHBondContact O-N 3.18Å; A223-L228 HydrophobicContact CB-CB 4.48Å; A223-L228 HydrophobicContact CB-CD2 4.24Å; A223-L228 PolarHBondContact O-N 2.87Å; A223-L237 HydrophobicContact CB-CD2 3.54Å
224	Y	95.8	Very high	91.8	Very high	36 Å²	36	32.8 Å²	32.8	14%	0.141	19%	0.189	C	C	.	.	H	α-helix	trans	-65.5	-46.9	172	-63.4	-24.1	0	0	0	111.3	R220 E221 A226 G227 V229 P231 L237	R220-Y224 WeakPolarHBondContact CD-OH 3.33Å; R220-Y224 HydrophobicContact CG-CD2 4.22Å; R220-Y224 HydrophobicContact CG-CE1 4.07Å; R220-Y224 HydrophobicContact CG-CE2 3.56Å; R220-Y224 VanDerWaalsContact CG-CZ 3.47Å; R220-Y224 PolarHBondContact NH1-OH 3.06Å; R220-Y224 PolarHBondContact O-N 2.77Å; E221-Y224 PolarHBondContact O-N 3Å; Y224-A226 VanDerWaalsContact C-N 3.29Å; Y224-A226 PolarHBondContact O-N 2.91Å; Y224-G227 WeakPolarHBondContact O-CA 3.43Å; Y224-G227 PolarHBondContact O-N 3.27Å; Y224-V229 VanDerWaalsContact CD1-O 3.28Å; Y224-V229 WeakPolarHBondContact CD1-O 3.44Å; Y224-P231 HydrophobicContact CD2-CB 4.32Å; Y224-P231 HydrophobicContact CD2-CG 4.08Å; Y224-P231 HydrophobicContact CE2-CB 4.31Å; Y224-P231 HydrophobicContact CG-CG 4.09Å; Y224-L237 HydrophobicContact CD1-CD2 4.48Å; Y224-L237 HydrophobicContact CE1-CD2 4.12Å
225	L	96.9	Very high	91.7	Very high	111 Å²	111	36.9 Å²	36.9	58%	0.581	21%	0.207	S	C	*	.	H	α-helix	trans	-64.3	-32	176.3	-71.7	167.4	0	0	0	113	I170 A174 E221 G227	I170-L225 HydrophobicContact CD1-CD1 4.32Å; I170-L225 HydrophobicContact CG1-CD1 3.43Å; I170-L225 VanDerWaalsContact CG1-CD1 3.43Å; A174-L225 HydrophobicContact CB-CB 3.83Å; E221-L225 WeakPolarHBondContact O-CG 3.3Å; E221-L225 PolarHBondContact O-N 2.99Å; L225-G227 PolarHBondContact O-N 3.42Å
226	A	97.2	Very high	91.8	Very high	3 Å²	3	37.4 Å²	37.4	3%	0.025	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-10.2	171.9	0	0	0	0	0	114.2	A174 L177 H178 R181 A222 Y224 L228	A174-A226 HydrophobicContact CB-CB 4.49Å; A174-A226 VanDerWaalsContact O-CB 3.29Å; A174-A226 WeakPolarHBondContact O-CB 3.26Å; L177-A226 HydrophobicContact CB-CB 3.65Å; H178-A226 HydrophobicContact CB-CB 4.02Å; H178-A226 PolarHBondContact ND1-O 2.7Å; R181-A226 WeakPolarHBondContact CD-O 3.44Å; A222-A226 WeakPolarHBondContact O-CB 3.42Å; A222-A226 PolarHBondContact O-N 3.41Å; Y224-A226 VanDerWaalsContact C-N 3.29Å; Y224-A226 PolarHBondContact O-N 2.91Å; A226-L228 HydrophobicContact CB-CD1 3.48Å; A226-L228 VanDerWaalsContact CB-CD1 3.48Å
227	G	95	Very high	91.9	Very high	32 Å²	32	36.7 Å²	36.7	33%	0.33	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	20.6	179.1	0	0	0	0	0	115.1	R181 A223 Y224 L225	R181-G227 PolarHBondContact NE-O 2.82Å; R181-G227 PolarHBondContact NH2-O 3.24Å; A223-G227 PolarHBondContact O-N 3.18Å; Y224-G227 WeakPolarHBondContact O-CA 3.43Å; Y224-G227 PolarHBondContact O-N 3.27Å; L225-G227 PolarHBondContact O-N 3.42Å
228	L	94.5	Very high	92.2	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.042	21%	0.21	C	C	.	.	S	Bend	trans	-62.7	-46.1	178.2	-85.7	68.1	0	0	0	111	I65 L177 R181 W203 I205 A223 A226	I65-L228 HydrophobicContact CD1-CD2 3.82Å; L177-L228 HydrophobicContact CB-CD1 4.08Å; R181-L228 HydrophobicContact CB-CD1 3.84Å; R181-L228 HydrophobicContact CB-CG 4.28Å; R181-L228 HydrophobicContact CG-CD1 4.25Å; R181-L228 HydrophobicContact CG-CG 4.41Å; W203-L228 HydrophobicContact CB-CD2 4.42Å; W203-L228 HydrophobicContact CD2-CB 4.11Å; W203-L228 HydrophobicContact CD2-CD2 3.91Å; W203-L228 HydrophobicContact CD2-CG 3.9Å; W203-L228 HydrophobicContact CE3-CD2 3.7Å; W203-L228 HydrophobicContact CE3-CG 3.97Å; W203-L228 HydrophobicContact CG-CB 4.11Å; W203-L228 HydrophobicContact CG-CD2 4.22Å; W203-L228 HydrophobicContact CG-CG 4.34Å; W203-L228 HydrophobicContact CZ3-CD2 4.35Å; W203-L228 HydrophobicContact CZ3-CG 4.35Å; W203-L228 PolarHBondContact NE1-O 3.36Å; I205-L228 HydrophobicContact CD1-CD2 4.11Å; A223-L228 HydrophobicContact CB-CB 4.48Å; A223-L228 HydrophobicContact CB-CD2 4.24Å; A223-L228 PolarHBondContact O-N 2.87Å; A226-L228 HydrophobicContact CB-CD1 3.48Å; A226-L228 VanDerWaalsContact CB-CD1 3.48Å
229	V	91.8	Very high	92.2	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.018	21%	0.211	C	C	.	.	S	Bend	trans	-144.4	139.5	-177.1	175.1	0	0	0	0	108.1	W203 Y224 C233 Q236 L237	W203-V229 HydrophobicContact CB-CG2 4.29Å; W203-V229 VanDerWaalsContact CD1-CG2 3.42Å; W203-V229 HydrophobicContact CG-CG2 4.12Å; Y224-V229 VanDerWaalsContact CD1-O 3.28Å; Y224-V229 WeakPolarHBondContact CD1-O 3.44Å; V229-C233 HydrophobicContact CG1-CB 4.42Å; V229-C233 WeakPolarHBondContact CG1-O 3.19Å; V229-Q236 HydrophobicContact CG1-CB 3.74Å; V229-Q236 HydrophobicContact CG2-CB 3.9Å; V229-L237 HydrophobicContact CB-CB 4.17Å; V229-L237 HydrophobicContact CG1-CB 4.37Å; V229-L237 HydrophobicContact CG2-CB 3.9Å
230	P	88.4	Confident	92.2	Very high	61 Å²	61	37.6 Å²	37.6	40%	0.396	21%	0.211	S	C	.	.			trans	-70.4	146.5	172.9	29.3	-34.5	0	0	0	111.3	D232 C233	P230-D232 PolarHBondContact O-N 3.44Å; P230-C233 HydrophobicContact CG-CB 4.04Å; P230-C233 PolarHBondContact O-N 3Å
231	P	86.6	Confident	92.1	Very high	80 Å²	80	37.1 Å²	37.1	52%	0.519	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-23.8	178.8	-27.4	35.6	0	0	0	115.1	Y224	Y224-P231 HydrophobicContact CD2-CB 4.32Å; Y224-P231 HydrophobicContact CD2-CG 4.08Å; Y224-P231 HydrophobicContact CE2-CB 4.31Å; Y224-P231 HydrophobicContact CG-CG 4.09Å
232	D	83.7	Confident	92.1	Very high	148 Å²	148	35.1 Å²	35.1	79%	0.791	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-17.9	-179.9	-60.7	-46.1	0	0	0	114	P230 P234	P230-D232 PolarHBondContact O-N 3.44Å; D232-P234 VanDerWaalsContact O-CD 3.22Å; D232-P234 WeakPolarHBondContact O-CD 3.37Å
233	C	85.4	Confident	91.9	Very high	27 Å²	27	35.1 Å²	35.1	18%	0.182	20%	0.201	C	C	.	.			trans	-116.5	53.1	179.3	-56.6	0	0	0	0	112.1	V229 P230 E235 Q236	V229-C233 HydrophobicContact CG1-CB 4.42Å; V229-C233 WeakPolarHBondContact CG1-O 3.19Å; P230-C233 HydrophobicContact CG-CB 4.04Å; P230-C233 PolarHBondContact O-N 3Å; C233-E235 PolarHBondContact O-N 2.8Å; C233-Q236 PolarHBondContact O-N 3.4Å
234	P	84	Confident	91.6	Very high	49 Å²	49	35.3 Å²	35.3	32%	0.318	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-62.5	-22.3	-165.9	27.6	-36.9	0	0	0	114.3	R220 D232 Q236 L237	R220-P234 PolarHBondContact NH1-O 2.88Å; R220-P234 VanDerWaalsContact NH1-O 3.09Å; D232-P234 VanDerWaalsContact O-CD 3.22Å; D232-P234 WeakPolarHBondContact O-CD 3.37Å; P234-Q236 VanDerWaalsContact C-N 3.33Å; P234-L237 PolarHBondContact O-N 2.83Å; P234-L237 VanDerWaalsContact O-O 3.06Å
235	E	84.9	Confident	91.5	Very high	100 Å²	100	33.6 Å²	33.6	47%	0.467	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-73.5	-12.3	176.1	64.5	-72.6	156.6	0	0	115.8	C233 L237	C233-E235 PolarHBondContact O-N 2.8Å; E235-L237 VanDerWaalsContact C-N 3.29Å
236	Q	90.3	Very high	91.4	Very high	15 Å²	15	28.3 Å²	28.3	7%	0.07	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-75.2	-19.8	168.7	-80.9	169.4	-8.2	0	0	112.2	E199 R202 W203 V229 C233 P234	E199-Q236 VanDerWaalsContact CA-NE2 3.32Å; E199-Q236 PolarHBondContact O-NE2 2.93Å; R202-Q236 CarbonylContact C-O 3.51Å; R202-Q236 WeakPolarHBondContact CA-O 3.2Å; W203-Q236 PolarHBondContact N-O 3.29Å; V229-Q236 HydrophobicContact CG1-CB 3.74Å; V229-Q236 HydrophobicContact CG2-CB 3.9Å; C233-Q236 PolarHBondContact O-N 3.4Å; P234-Q236 VanDerWaalsContact C-N 3.33Å
237	L	93.9	Very high	91.1	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	116.2	174.5	175.8	60.8	0	0	0	110.9	W203 I205 R220 A223 Y224 V229 P234 E235	W203-L237 HydrophobicContact CB-CD1 3.9Å; W203-L237 WeakPolarHBondContact O-CA 3.5Å; I205-L237 HydrophobicContact CD1-CD1 3.9Å; I205-L237 HydrophobicContact CG1-CD1 3.96Å; R220-L237 HydrophobicContact CB-CD2 4.42Å; R220-L237 HydrophobicContact CG-CD2 4.14Å; R220-L237 PolarHBondContact NH1-O 2.95Å; R220-L237 PolarHBondContact NH2-O 2.93Å; A223-L237 HydrophobicContact CB-CD2 3.54Å; Y224-L237 HydrophobicContact CD1-CD2 4.48Å; Y224-L237 HydrophobicContact CE1-CD2 4.12Å; V229-L237 HydrophobicContact CB-CB 4.17Å; V229-L237 HydrophobicContact CG1-CB 4.37Å; V229-L237 HydrophobicContact CG2-CB 3.9Å; P234-L237 PolarHBondContact O-N 2.83Å; P234-L237 VanDerWaalsContact O-O 3.06Å; E235-L237 VanDerWaalsContact C-N 3.29Å
238	L	94.6	Very high	90.9	Very high	34 Å²	34	27.1 Å²	27.1	18%	0.178	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.5	174	-56.3	-175.9	0	0	0	111.1	R202 W203 V204 I205 F527 P531	R202-L238 HydrophobicContact CG-CD1 4.45Å; R202-L238 HydrophobicContact CG-CG 4.49Å; W203-L238 PolarHBondContact O-N 3.04Å; V204-L238 CarbonylContact C-O 3.59Å; V204-L238 VanDerWaalsContact CA-O 3.3Å; V204-L238 WeakPolarHBondContact CA-O 3.32Å; V204-L238 HydrophobicContact CG2-CB 4.39Å; I205-L238 PolarHBondContact N-O 2.72Å; L238-F527 HydrophobicContact CB-CE1 4.24Å; L238-F527 HydrophobicContact CD1-CE1 4.34Å; L238-P531 HydrophobicContact CD1-CB 4.29Å; L238-P531 HydrophobicContact CD1-CG 4.36Å
239	I	94.7	Very high	90.7	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120.9	167.1	-55.5	-56.9	0	0	0	108.2	I205 V207 T670	I205-I239 HydrophobicContact CB-CD1 4.12Å; I205-I239 WeakPolarHBondContact O-CA 3.09Å; V207-I239 HydrophobicContact CB-CG2 4.35Å; V207-I239 HydrophobicContact CG1-CG2 4Å; V207-I239 HydrophobicContact CG2-CG2 3.41Å; V207-I239 VanDerWaalsContact CG2-CG2 3.41Å; I239-T670 HydrophobicContact CB-CG2 4.13Å; I239-T670 HydrophobicContact CG2-CG2 3.96Å; I239-T670 VanDerWaalsContact O-CB 3.28Å; I239-T670 WeakPolarHBondContact O-CB 3.38Å; I239-T670 WeakPolarHBondContact O-CG2 3.15Å; I239-T670 PolarHBondContact O-OG1 3.11Å
240	A	94.6	Very high	90.6	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	138.3	176.9	0	0	0	0	0	110.4	V204 I205 T206 V207 F527	V204-A240 HydrophobicContact CG1-CB 3.6Å; I205-A240 PolarHBondContact O-N 2.97Å; T206-A240 CarbonylContact C-O 3.27Å; T206-A240 WeakPolarHBondContact CA-O 3.5Å; V207-A240 PolarHBondContact N-O 3.28Å; A240-F527 HydrophobicContact CB-CD1 3.59Å; A240-F527 HydrophobicContact CB-CE1 3.89Å; A240-F527 HydrophobicContact CB-CG 4.32Å
241	L	93.6	Very high	90.3	Very high	14 Å²	14	26.1 Å²	26.1	7%	0.073	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	128.3	172	-54.3	-172.6	0	0	0	109.5	V207 A209 E244 A245 T670	V207-L241 HydrophobicContact CG2-CD2 3.81Å; V207-L241 CarbonylContact O-C 3.58Å; V207-L241 WeakPolarHBondContact O-CA 3.33Å; A209-L241 HydrophobicContact CB-CB 4.19Å; A209-L241 HydrophobicContact CB-CD1 4.1Å; L241-E244 HydrophobicContact CB-CB 4.15Å; L241-E244 HydrophobicContact CB-CG 3.9Å; L241-E244 HydrophobicContact CD1-CG 4.39Å; L241-E244 WeakPolarHBondContact O-CB 3.41Å; L241-E244 PolarHBondContact O-N 2.92Å; L241-A245 PolarHBondContact O-N 2.93Å; L241-T670 HydrophobicContact CD2-CG2 3.64Å; L241-T670 HydrophobicContact CG-CG2 4.09Å
242	E	94.9	Very high	90.2	Very high	12 Å²	12	25.3 Å²	25.3	6%	0.056	13%	0.129	C	C	.	.	H	α-helix	trans	-46.8	-52.2	-177.3	-73.5	165.3	-159.1	0	0	113.6	K144 V207 P208 E244 A245 A246 I520	K144-E242 IonicContact NZ-OE1 3.3Å; K144-E242 PolarHBondContact NZ-OE1 3.09Å; V207-E242 VanDerWaalsContact C-CD 3.44Å; V207-E242 VanDerWaalsContact C-OE1 3.23Å; V207-E242 WeakPolarHBondContact CA-OE1 3.33Å; V207-E242 WeakPolarHBondContact O-CG 3.49Å; V207-E242 PolarHBondContact O-N 2.85Å; P208-E242 WeakPolarHBondContact CD-OE1 3.41Å; E242-E244 PolarHBondContact O-N 2.95Å; E242-A245 PolarHBondContact O-N 2.89Å; E242-A246 WeakPolarHBondContact O-CB 3.42Å; E242-A246 PolarHBondContact O-N 3.4Å; E242-I520 HydrophobicContact CB-CG1 4.38Å; E242-I520 HydrophobicContact CB-CG2 4.19Å; E242-I520 HydrophobicContact CG-CG2 4.03Å
243	P	92.2	Very high	90.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-74.4	-21.9	178.6	30.7	-38.6	0	0	0	114.5	A209 S247 V319 D321 D328 T330	A209-P243 HydrophobicContact CB-CG 3.57Å; P243-S247 WeakPolarHBondContact O-CB 3.44Å; P243-S247 PolarHBondContact O-N 3.11Å; P243-V319 HydrophobicContact CB-CB 4.49Å; P243-V319 HydrophobicContact CB-CG1 4.14Å; P243-D321 HydrophobicContact CB-CB 4.21Å; P243-D328 HydrophobicContact CG-CB 4.13Å; P243-T330 HydrophobicContact CB-CG2 3.99Å; P243-T330 HydrophobicContact CG-CG2 3.58Å
244	E	90.8	Very high	89.9	Confident	4 Å²	4	18.6 Å²	18.6	2%	0.019	9%	0.089	C	C	.	.	H	α-helix	trans	-71.7	-46.4	171.2	-69.1	-179.8	158.6	0	0	110.4	L241 E242 A246 S247 I248 V534 R537	L241-E244 HydrophobicContact CB-CB 4.15Å; L241-E244 HydrophobicContact CB-CG 3.9Å; L241-E244 HydrophobicContact CD1-CG 4.39Å; L241-E244 WeakPolarHBondContact O-CB 3.41Å; L241-E244 PolarHBondContact O-N 2.92Å; E242-E244 PolarHBondContact O-N 2.95Å; E244-A246 VanDerWaalsContact C-N 3.34Å; E244-A246 PolarHBondContact O-N 2.8Å; E244-S247 CarbonylContact O-C 3.46Å; E244-S247 WeakPolarHBondContact O-CA 3.39Å; E244-S247 VanDerWaalsContact O-CB 3.29Å; E244-S247 WeakPolarHBondContact O-CB 3.3Å; E244-S247 PolarHBondContact O-N 2.95Å; E244-S247 VanDerWaalsContact O-N 3.08Å; E244-I248 WeakPolarHBondContact O-CG1 3.46Å; E244-I248 PolarHBondContact O-N 3.14Å; E244-V534 HydrophobicContact CB-CG2 4.4Å; E244-R537 IonicContact OE1-CZ 3.97Å; E244-R537 IonicContact OE1-NE 3.76Å; E244-R537 PolarHBondContact OE1-NE 2.88Å; E244-R537 IonicContact OE1-NH2 3.04Å; E244-R537 PolarHBondContact OE1-NH2 2.8Å; E244-R537 IonicContact OE2-CZ 3.91Å; E244-R537 IonicContact OE2-NE 3.97Å; E244-R537 IonicContact OE2-NH2 2.81Å; E244-R537 PolarHBondContact OE2-NH2 3.35Å
245	A	94.1	Very high	89.6	Confident	1 Å²	1	20 Å²	20	1%	0.008	9%	0.094	C	C	.	.	H	α-helix	trans	-56.3	-50.2	173.9	0	0	0	0	0	110.2	L241 E242 S247 I248 Y249 G523 A524	L241-A245 PolarHBondContact O-N 2.93Å; E242-A245 PolarHBondContact O-N 2.89Å; A245-S247 VanDerWaalsContact C-N 3.29Å; A245-S247 PolarHBondContact O-N 2.91Å; A245-I248 WeakPolarHBondContact O-CB 3.41Å; A245-I248 PolarHBondContact O-N 2.97Å; A245-Y249 PolarHBondContact O-N 2.84Å; A245-Y249 VanDerWaalsContact O-N 3.12Å; A245-G523 WeakPolarHBondContact O-CA 3.08Å; A245-A524 HydrophobicContact CB-CB 4.24Å
246	A	93.8	Very high	89.3	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-56.9	-41.4	174.2	0	0	0	0	0	112.4	E242 E244 I248 Y249 C250 V319 V487 T519 I520	E242-A246 WeakPolarHBondContact O-CB 3.42Å; E242-A246 PolarHBondContact O-N 3.4Å; E244-A246 VanDerWaalsContact C-N 3.34Å; E244-A246 PolarHBondContact O-N 2.8Å; A246-I248 VanDerWaalsContact C-N 3.33Å; A246-I248 PolarHBondContact O-N 2.76Å; A246-Y249 PolarHBondContact O-N 2.84Å; A246-C250 WeakPolarHBondContact O-CB 3.47Å; A246-C250 PolarHBondContact O-N 3.03Å; A246-C250 PolarHBondContact O-SG 3Å; A246-V319 HydrophobicContact CB-CG1 4.14Å; A246-V487 HydrophobicContact CB-CB 4.32Å; A246-V487 HydrophobicContact CB-CG1 4.47Å; A246-V487 HydrophobicContact CB-CG2 3.73Å; A246-T519 HydrophobicContact CB-CG2 3.81Å; A246-I520 HydrophobicContact CB-CD1 4.15Å; A246-I520 HydrophobicContact CB-CG1 4.25Å
247	S	91	Very high	88.9	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.5	-38.1	174.2	-169	0	0	0	0	113.2	P243 E244 A245 R251 Y317	P243-S247 WeakPolarHBondContact O-CB 3.44Å; P243-S247 PolarHBondContact O-N 3.11Å; E244-S247 CarbonylContact O-C 3.46Å; E244-S247 WeakPolarHBondContact O-CA 3.39Å; E244-S247 VanDerWaalsContact O-CB 3.29Å; E244-S247 WeakPolarHBondContact O-CB 3.3Å; E244-S247 PolarHBondContact O-N 2.95Å; E244-S247 VanDerWaalsContact O-N 3.08Å; A245-S247 VanDerWaalsContact C-N 3.29Å; A245-S247 PolarHBondContact O-N 2.91Å; S247-R251 VanDerWaalsContact O-CG 3.24Å; S247-R251 WeakPolarHBondContact O-CG 3.38Å; S247-R251 PolarHBondContact O-N 3.06Å; S247-Y317 WeakPolarHBondContact OG-CE2 3.39Å; S247-Y317 PolarHBondContact OG-OH 3.36Å
248	I	90.4	Very high	88.6	Confident	10 Å²	10	23 Å²	23	5%	0.051	11%	0.108	C	C	.	.	H	α-helix	trans	-66.6	-41.9	179.1	-67.4	164.4	0	0	0	110.2	E244 A245 A246 L341 L526 F527 V533 V534	E244-I248 WeakPolarHBondContact O-CG1 3.46Å; E244-I248 PolarHBondContact O-N 3.14Å; A245-I248 WeakPolarHBondContact O-CB 3.41Å; A245-I248 PolarHBondContact O-N 2.97Å; A246-I248 VanDerWaalsContact C-N 3.33Å; A246-I248 PolarHBondContact O-N 2.76Å; I248-L341 HydrophobicContact CG1-CD1 4.29Å; I248-L526 HydrophobicContact CG2-CB 3.62Å; I248-L526 HydrophobicContact CG2-CD1 4.17Å; I248-F527 HydrophobicContact CD1-CB 3.84Å; I248-F527 HydrophobicContact CD1-CD2 3.74Å; I248-F527 HydrophobicContact CD1-CG 4.24Å; I248-V533 HydrophobicContact CD1-CB 4.46Å; I248-V533 HydrophobicContact CD1-CG1 4.44Å; I248-V533 HydrophobicContact CG1-CB 4.48Å; I248-V533 HydrophobicContact CG1-CG1 3.94Å; I248-V534 HydrophobicContact CD1-CG2 4.23Å
249	Y	91.3	Very high	88.2	Confident	23 Å²	23	24.8 Å²	24.8	9%	0.09	12%	0.117	C	C	.	.	H	α-helix	trans	-69.8	-43.7	176.8	-176.1	-116.1	0	0	0	112.8	A245 A246 R251 K252 L253 T519 K522 L526	A245-Y249 PolarHBondContact O-N 2.84Å; A245-Y249 VanDerWaalsContact O-N 3.12Å; A246-Y249 PolarHBondContact O-N 2.84Å; Y249-R251 PolarHBondContact O-N 3.02Å; Y249-K252 WeakPolarHBondContact O-CB 3.49Å; Y249-K252 PolarHBondContact O-N 3.11Å; Y249-L253 HydrophobicContact CD1-CD2 4.33Å; Y249-L253 HydrophobicContact CE1-CD2 3.74Å; Y249-L253 HydrophobicContact CE2-CD2 4.41Å; Y249-T519 HydrophobicContact CD1-CG2 3.75Å; Y249-K522 HydrophobicContact CD1-CB 4.33Å; Y249-K522 HydrophobicContact CD2-CB 3.66Å; Y249-K522 HydrophobicContact CD2-CD 4.39Å; Y249-K522 HydrophobicContact CE1-CB 4.42Å; Y249-K522 HydrophobicContact CE1-CD 3.86Å; Y249-K522 HydrophobicContact CE2-CB 3.81Å; Y249-K522 HydrophobicContact CE2-CD 3.7Å; Y249-K522 HydrophobicContact CE2-CG 4.37Å; Y249-K522 HydrophobicContact CG-CB 3.96Å; Y249-K522 WeakPolarHBondContact OH-CD 3.23Å; Y249-K522 PolarHBondContact OH-NZ 3.44Å; Y249-L526 HydrophobicContact CD2-CD1 4.12Å
250	C	88.9	Confident	87.8	Confident	2 Å²	2	25.7 Å²	25.7	1%	0.014	12%	0.122	C	C	.	.	H	α-helix	trans	-54.7	-30.2	178.4	-74.7	0	0	0	0	113.3	A246 K252 L253 F485	A246-C250 WeakPolarHBondContact O-CB 3.47Å; A246-C250 PolarHBondContact O-N 3.03Å; A246-C250 PolarHBondContact O-SG 3Å; C250-K252 VanDerWaalsContact C-N 3.27Å; C250-K252 PolarHBondContact O-N 3.28Å; C250-L253 HydrophobicContact CB-CD1 4.48Å; C250-L253 PolarHBondContact O-N 3.33Å; C250-F485 HydrophobicContact CB-CD1 3.77Å; C250-F485 HydrophobicContact CB-CE1 3.87Å; C250-F485 HydrophobicContact CB-CG 4.31Å; C250-F485 HydrophobicContact CB-CZ 4.49Å
251	R	83.6	Confident	87.4	Confident	25 Å²	25	26.5 Å²	26.5	9%	0.094	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-16.6	176.8	-73	178.9	53.6	-155.2	-11.5	115.4	S247 Y249 G305 W308 G339	S247-R251 VanDerWaalsContact O-CG 3.24Å; S247-R251 WeakPolarHBondContact O-CG 3.38Å; S247-R251 PolarHBondContact O-N 3.06Å; Y249-R251 PolarHBondContact O-N 3.02Å; R251-G305 PolarHBondContact O-N 2.87Å; R251-W308 HydrophobicContact CB-CD2 4.2Å; R251-W308 HydrophobicContact CB-CE3 4.33Å; R251-W308 HydrophobicContact CG-CD2 3.66Å; R251-W308 HydrophobicContact CG-CE3 3.63Å; R251-W308 HydrophobicContact CG-CG 4.47Å; R251-W308 HydrophobicContact CG-CH2 3.38Å; R251-W308 HydrophobicContact CG-CZ2 3.44Å; R251-W308 VanDerWaalsContact CG-CZ2 3.44Å; R251-W308 HydrophobicContact CG-CZ3 3.51Å; R251-G339 PolarHBondContact NH1-O 3.05Å; R251-G339 PolarHBondContact NH2-O 3.4Å
252	K	83.7	Confident	86.3	Confident	63 Å²	63	28.3 Å²	28.3	27%	0.274	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-11.5	176.5	-65.4	-64.9	-169.4	164.7	0	112.7	Y249 C250 V300 G303 L526	Y249-K252 WeakPolarHBondContact O-CB 3.49Å; Y249-K252 PolarHBondContact O-N 3.11Å; C250-K252 VanDerWaalsContact C-N 3.27Å; C250-K252 PolarHBondContact O-N 3.28Å; K252-V300 HydrophobicContact CB-CG1 3.84Å; K252-V300 HydrophobicContact CD-CG1 3.89Å; K252-V300 HydrophobicContact CG-CG1 3.7Å; K252-G303 WeakPolarHBondContact CD-O 3.28Å; K252-G303 PolarHBondContact NZ-O 2.71Å; K252-L526 HydrophobicContact CG-CD1 4.05Å
253	L	82.1	Confident	84.8	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.01	17%	0.167	C	C	.	.			trans	-72.2	136.3	-173	-60.9	177.1	0	0	0	113.1	Y249 C250 Q257 V258 G305 P513	Y249-L253 HydrophobicContact CD1-CD2 4.33Å; Y249-L253 HydrophobicContact CE1-CD2 3.74Å; Y249-L253 HydrophobicContact CE2-CD2 4.41Å; C250-L253 HydrophobicContact CB-CD1 4.48Å; C250-L253 PolarHBondContact O-N 3.33Å; L253-Q257 HydrophobicContact CB-CB 4.42Å; L253-Q257 HydrophobicContact CD2-CB 4Å; L253-V258 HydrophobicContact CB-CG1 3.98Å; L253-V258 HydrophobicContact CD1-CG1 3.7Å; L253-V258 HydrophobicContact CG-CG1 4.45Å; L253-G305 WeakPolarHBondContact O-CA 3.44Å; L253-P513 HydrophobicContact CD1-CB 3.66Å; L253-P513 HydrophobicContact CD1-CG 3.7Å
254	R	79.9	Confident	82.6	Confident	32 Å²	32	41.5 Å²	41.5	12%	0.121	21%	0.205	C	C	.	.			trans	-85.9	165.1	167.2	-56.5	-58.6	-171.5	-141	-8.8	111	H256 Q257 E301 S302 T304 E306	R254-H256 WeakPolarHBondContact CB-ND1 3.41Å; R254-H256 PolarHBondContact O-N 2.7Å; R254-Q257 HydrophobicContact CB-CG 4.16Å; R254-Q257 WeakPolarHBondContact O-CB 3.21Å; R254-Q257 PolarHBondContact O-N 3.37Å; R254-E301 IonicContact CZ-OE2 2.82Å; R254-E301 IonicContact NE-OE1 2.8Å; R254-E301 IonicContact NE-OE2 3.88Å; R254-E301 PolarHBondContact NE-OE2 3Å; R254-E301 IonicContact NH2-OE2 3.85Å; R254-E301 PolarHBondContact NH2-OE2 3.47Å; R254-S302 PolarHBondContact NH2-O 3.04Å; R254-S302 VanDerWaalsContact NH2-O 3.09Å; R254-T304 PolarHBondContact NH1-O 2.61Å; R254-E306 WeakPolarHBondContact CB-OE2 3.4Å
255	L	77.8	Confident	80.1	Confident	80 Å²	80	45.9 Å²	45.9	42%	0.419	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-61.2	-32.4	-179.7	-70	172.3	0	0	0	112.5	Q257 V258 E306 L307	L255-Q257 PolarHBondContact O-N 2.99Å; L255-V258 VanDerWaalsContact O-CG2 3.32Å; L255-V258 WeakPolarHBondContact O-CG2 3.37Å; L255-E306 HydrophobicContact CD1-CB 4.34Å; L255-E306 HydrophobicContact CG-CB 3.99Å; L255-E306 PolarHBondContact N-OE2 2.76Å; L255-L307 HydrophobicContact CD2-CB 4.23Å; L255-L307 HydrophobicContact CD2-CD1 4.09Å
256	H	78.8	Confident	77.2	Confident	117 Å²	117	52.4 Å²	52.4	54%	0.542	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-74.4	-3.4	175.8	75.7	-97.8	0	0	0	114.3	R254 E301 H514	R254-H256 WeakPolarHBondContact CB-ND1 3.41Å; R254-H256 PolarHBondContact O-N 2.7Å; H256-E301 IonicContact CE1-OE1 2.79Å; H256-H514 PolarHBondContact O-CD2 3.29Å; H256-H514 PolarHBondContact O-NE2 2.85Å
257	Q	83	Confident	74.2	Confident	43 Å²	43	57.7 Å²	57.7	20%	0.201	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-109.5	8.8	-177.4	-57	176.1	-22.4	0	0	112.4	L253 R254 L255 H514	L253-Q257 HydrophobicContact CB-CB 4.42Å; L253-Q257 HydrophobicContact CD2-CB 4Å; R254-Q257 HydrophobicContact CB-CG 4.16Å; R254-Q257 WeakPolarHBondContact O-CB 3.21Å; R254-Q257 PolarHBondContact O-N 3.37Å; L255-Q257 PolarHBondContact O-N 2.99Å; Q257-H514 WeakPolarHBondContact O-CB 3.45Å; Q257-H514 PolarHBondContact O-N 3.03Å
258	V	86.7	Confident	71.5	Confident	17 Å²	17	65 Å²	65	10%	0.103	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	152.7	-178.3	-66.8	0	0	0	0	111.9	L253 L255 L307 I511 I512	L253-V258 HydrophobicContact CB-CG1 3.98Å; L253-V258 HydrophobicContact CD1-CG1 3.7Å; L253-V258 HydrophobicContact CG-CG1 4.45Å; L255-V258 VanDerWaalsContact O-CG2 3.32Å; L255-V258 WeakPolarHBondContact O-CG2 3.37Å; V258-L307 HydrophobicContact CG1-CD2 4.4Å; V258-I511 HydrophobicContact CB-CG2 3.86Å; V258-I511 HydrophobicContact CG1-CG2 3.71Å; V258-I511 HydrophobicContact CG2-CG2 4.47Å; V258-I512 CarbonylContact C-O 3.51Å; V258-I512 WeakPolarHBondContact CA-O 3.38Å
259	I	86.8	Confident	68.9	Low	72 Å²	72	66.8 Å²	66.8	37%	0.369	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.3	165.3	-55	172.9	0	0	0	106.7	L261 I512	I259-L261 HydrophobicContact CG2-CD2 3.98Å; I259-I512 HydrophobicContact CB-CB 4.3Å; I259-I512 PolarHBondContact N-O 3.35Å; I259-I512 PolarHBondContact O-N 2.92Å
260	D	86.7	Confident	66	Low	21 Å²	21	73 Å²	73	11%	0.112	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	111	175	-173.9	-17	0	0	0	109.3	S262 L263 R509 I511	D260-S262 VanDerWaalsContact C-N 3.28Å; D260-S262 PolarHBondContact O-N 3.37Å; D260-S262 WeakPolarHBondContact OD1-CB 3.38Å; D260-S262 PolarHBondContact OD1-N 3.3Å; D260-S262 PolarHBondContact OD1-OG 3.02Å; D260-L263 HydrophobicContact CB-CD1 4.07Å; D260-L263 HydrophobicContact CB-CG 4.19Å; D260-R509 IonicContact OD1-NE 2.7Å; D260-R509 IonicContact OD2-CZ 3.66Å; D260-R509 IonicContact OD2-NE 3.11Å; D260-R509 PolarHBondContact OD2-NE 3.15Å; D260-R509 IonicContact OD2-NH2 3.35Å; D260-R509 PolarHBondContact OD2-NH2 3.01Å; D260-I511 HydrophobicContact CB-CD1 4.06Å
261	L	84.9	Confident	63.1	Low	19 Å²	19	78.8 Å²	78.8	10%	0.099	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-5.4	179.4	-62.1	-172.9	0	0	0	113.2	I259 Q497 Q501 I510 I512	I259-L261 HydrophobicContact CG2-CD2 3.98Å; L261-Q497 HydrophobicContact CD1-CB 3.93Å; L261-Q497 HydrophobicContact CD1-CG 4.41Å; L261-Q501 HydrophobicContact CB-CB 4.42Å; L261-Q501 HydrophobicContact CB-CG 4.17Å; L261-Q501 HydrophobicContact CD1-CB 4.32Å; L261-Q501 WeakPolarHBondContact O-CG 3.41Å; L261-Q501 PolarHBondContact O-NE2 3.21Å; L261-I510 HydrophobicContact CB-CB 4.17Å; L261-I510 HydrophobicContact CB-CG2 4.23Å; L261-I510 HydrophobicContact CD1-CG2 4.03Å; L261-I510 HydrophobicContact CG-CG2 4.38Å; L261-I510 PolarHBondContact N-O 3.45Å; L261-I512 HydrophobicContact CD1-CD1 3.58Å; L261-I512 HydrophobicContact CD1-CG1 4.43Å; L261-I512 HydrophobicContact CD2-CD1 4.44Å; L261-I512 HydrophobicContact CG-CD1 3.98Å
262	S	71.5	Confident	61.1	Low	52 Å²	52	86.5 Å²	86.5	36%	0.364	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-25.7	172.3	72.3	0	0	0	0	112.3	D260	D260-S262 VanDerWaalsContact C-N 3.28Å; D260-S262 PolarHBondContact O-N 3.37Å; D260-S262 WeakPolarHBondContact OD1-CB 3.38Å; D260-S262 PolarHBondContact OD1-N 3.3Å; D260-S262 PolarHBondContact OD1-OG 3.02Å
263	L	63.8	Low	59	Low	118 Å²	118	90 Å²	90	62%	0.618	49%	0.488	S	S	*	.	S	Bend	trans	-75.9	124.8	171.5	-58.7	178.7	0	0	0	109.1	D260	D260-L263 HydrophobicContact CB-CD1 4.07Å; D260-L263 HydrophobicContact CB-CG 4.19Å
264	Q	45.8	Very low	56.8	Low	171 Å²	171	93.5 Å²	93.5	80%	0.799	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-63.4	144.7	174	-71.7	-164.4	3.3	0	0	110.3	I266	Q264-I266 PolarHBondContact O-N 3.37Å
265	P	37.1	Very low	54.6	Low	95 Å²	95	97.7 Å²	97.7	62%	0.617	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-59.9	132.9	171.6	-17.1	29.5	0	0	0	109.6	T267	P265-T267 HydrophobicContact CB-CG2 4.39Å; P265-T267 PolarHBondContact O-N 3.17Å
266	I	32.8	Very low	52.3	Low	139 Å²	139	104.7 Å²	104.7	71%	0.713	57%	0.574	S	S	*	*			trans	-67.6	88.4	168.4	-57.2	172.6	0	0	0	107.4	Q264 N268	Q264-I266 PolarHBondContact O-N 3.37Å; I266-N268 PolarHBondContact O-N 2.94Å
267	T	32.5	Very low	50.1	Low	111 Å²	111	105 Å²	105	68%	0.681	59%	0.587	S	S	*	*			trans	-77.5	119.5	176.9	53.2	0	0	0	0	109.6	P265	P265-T267 HydrophobicContact CB-CG2 4.39Å; P265-T267 PolarHBondContact O-N 3.17Å
268	N	33.8	Very low	47.7	Very low	153 Å²	153	111.5 Å²	111.5	82%	0.818	62%	0.615	S	S	*	*	S	Bend	trans	67.2	55.3	168.3	-56.7	-15.1	0	0	0	117.4	I266 L270	I266-N268 PolarHBondContact O-N 2.94Å; N268-L270 PolarHBondContact O-N 2.76Å
269	G	35	Very low	45.4	Very low	47 Å²	47	115.6 Å²	115.6	49%	0.485	64%	0.636	S	S	.	*	S	Bend	trans	63.5	5.3	136.3	0	0	0	0	0	120.1
270	L	30.9	Very low	43.1	Very low	155 Å²	155	115.7 Å²	115.7	81%	0.812	64%	0.643	S	S	*	*			trans	-143	117.9	174.4	-71.8	173.7	0	0	0	108.7	N268	N268-L270 PolarHBondContact O-N 2.76Å
271	D	28.9	Very low	40.8	Very low	123 Å²	123	117.1 Å²	117.1	66%	0.658	66%	0.655	S	S	*	*			trans	-70.8	144.9	163.4	-82	-37.7	0	0	0	109.8	D273 G274	D271-D273 PolarHBondContact O-N 2.99Å; D271-G274 PolarHBondContact O-N 3.32Å
272	L	41.7	Very low	38.6	Very low	187 Å²	187	124.3 Å²	124.3	98%	0.979	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-7	179.3	-92.7	155.5	0	0	0	114.8
273	D	39	Very low	36.9	Very low	137 Å²	137	131.6 Å²	131.6	73%	0.733	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.6	7.3	-171.5	-128.4	4	0	0	0	114.5	D271 T275	D271-D273 PolarHBondContact O-N 2.99Å; D273-T275 WeakPolarHBondContact O-CB 3.39Å; D273-T275 WeakPolarHBondContact O-CG2 3.47Å; D273-T275 PolarHBondContact O-N 2.92Å; D273-T275 PolarHBondContact O-OG1 3.21Å
274	G	34.6	Very low	35.6	Very low	75 Å²	75	132.1 Å²	132.1	77%	0.773	71%	0.705	S	S	*	*			trans	57.2	9.2	158.4	0	0	0	0	0	120.2	D271	D271-G274 PolarHBondContact O-N 3.32Å
275	T	33.8	Very low	35.3	Very low	120 Å²	120	126 Å²	126	74%	0.736	68%	0.683	S	S	*	*			trans	-116.1	9.6	-160	38.3	0	0	0	0	116.7	D273	D273-T275 WeakPolarHBondContact O-CB 3.39Å; D273-T275 WeakPolarHBondContact O-CG2 3.47Å; D273-T275 PolarHBondContact O-N 2.92Å; D273-T275 PolarHBondContact O-OG1 3.21Å
276	R	31.3	Very low	35.5	Very low	226 Å²	226	129.8 Å²	129.8	85%	0.853	69%	0.685	S	S	*	*			trans	-134.7	121.3	170.7	-66.1	-170.9	-179.4	-165.3	0.1	112.4
277	P	31.3	Very low	35.6	Very low	125 Å²	125	128.2 Å²	128.2	81%	0.812	68%	0.675	S	S	*	*			trans	-70	144.2	172.5	29.3	-33.1	0	0	0	110.8	D279	P277-D279 PolarHBondContact O-N 2.69Å; P277-D279 VanDerWaalsContact O-N 3.17Å
278	F	32.5	Very low	36	Very low	179 Å²	179	129.5 Å²	129.5	79%	0.785	67%	0.673	S	S	*	*			trans	-54.5	115.8	177.4	-99.4	-97.1	0	0	0	111.7
279	D	39.3	Very low	36.6	Very low	102 Å²	102	125.4 Å²	125.4	55%	0.545	65%	0.651	S	S	.	*			trans	-75.8	139.3	179.9	-177.1	25.8	0	0	0	112.6	P277 S281 F282	P277-D279 PolarHBondContact O-N 2.69Å; P277-D279 VanDerWaalsContact O-N 3.17Å; D279-S281 PolarHBondContact O-N 2.96Å; D279-S281 VanDerWaalsContact O-N 3.17Å; D279-S281 VanDerWaalsContact OD2-CB 3.27Å; D279-S281 WeakPolarHBondContact OD2-CB 3.41Å; D279-S281 PolarHBondContact OD2-OG 3.31Å; D279-F282 PolarHBondContact O-N 2.85Å
280	S	38.5	Very low	37	Very low	74 Å²	74	130.6 Å²	130.6	52%	0.517	66%	0.656	S	S	.	*	T	Hydrogen-bonded Turn	trans	-50.4	-28.5	173.8	61.1	0	0	0	0	114.8	F282 R283 Q284	S280-F282 VanDerWaalsContact C-N 3.31Å; S280-F282 PolarHBondContact O-N 3.35Å; S280-R283 PolarHBondContact O-N 3.4Å; S280-R283 VanDerWaalsContact O-N 3.15Å; S280-Q284 PolarHBondContact O-N 3.15Å; S280-Q284 VanDerWaalsContact O-N 3.11Å
281	S	38	Very low	37.4	Very low	52 Å²	52	132.8 Å²	132.8	36%	0.364	65%	0.653	S	S	.	*	H	α-helix	trans	-57.2	-37.2	179.5	58.6	0	0	0	0	113.4	D279 R283 Q284 A285	D279-S281 PolarHBondContact O-N 2.96Å; D279-S281 VanDerWaalsContact O-N 3.17Å; D279-S281 VanDerWaalsContact OD2-CB 3.27Å; D279-S281 WeakPolarHBondContact OD2-CB 3.41Å; D279-S281 PolarHBondContact OD2-OG 3.31Å; S281-R283 VanDerWaalsContact C-N 3.34Å; S281-R283 PolarHBondContact O-N 3.09Å; S281-Q284 PolarHBondContact O-N 3.37Å; S281-A285 VanDerWaalsContact O-CB 3.32Å; S281-A285 WeakPolarHBondContact O-CB 3.38Å; S281-A285 PolarHBondContact O-N 2.87Å
282	F	38.1	Very low	38.2	Very low	170 Å²	170	129.3 Å²	129.3	75%	0.746	64%	0.639	S	S	*	*	H	α-helix	trans	-69	-29.7	178.9	-111	-88	0	0	0	113.5	D279 S280 R286	D279-F282 PolarHBondContact O-N 2.85Å; S280-F282 VanDerWaalsContact C-N 3.31Å; S280-F282 PolarHBondContact O-N 3.35Å; F282-R286 WeakPolarHBondContact O-CB 3.44Å; F282-R286 PolarHBondContact O-N 3.3Å
283	R	36.4	Very low	38.4	Very low	204 Å²	204	128.1 Å²	128.1	77%	0.77	62%	0.621	S	S	*	*	H	α-helix	trans	-73.2	-46.8	171	-76.4	-170.6	179	-169.2	2	110.5	S280 S281 A285 R286 E287	S280-R283 PolarHBondContact O-N 3.4Å; S280-R283 VanDerWaalsContact O-N 3.15Å; S281-R283 VanDerWaalsContact C-N 3.34Å; S281-R283 PolarHBondContact O-N 3.09Å; R283-A285 PolarHBondContact O-N 3.04Å; R283-R286 PolarHBondContact O-N 2.98Å; R283-R286 VanDerWaalsContact O-N 3.16Å; R283-E287 PolarHBondContact O-N 3.32Å
284	Q	36.4	Very low	38.8	Very low	130 Å²	130	128.8 Å²	128.8	61%	0.607	62%	0.619	S	S	*	*	H	α-helix	trans	-60	-43.5	177.5	-76.2	-174.9	-12.8	0	0	112.6	S280 S281 R286 E287 Q288	S280-Q284 PolarHBondContact O-N 3.15Å; S280-Q284 VanDerWaalsContact O-N 3.11Å; S281-Q284 PolarHBondContact O-N 3.37Å; Q284-R286 VanDerWaalsContact C-N 3.31Å; Q284-R286 PolarHBondContact O-N 2.96Å; Q284-E287 WeakPolarHBondContact O-CB 3.44Å; Q284-E287 PolarHBondContact O-N 2.91Å; Q284-Q288 WeakPolarHBondContact O-CB 3.34Å; Q284-Q288 PolarHBondContact O-N 3.1Å
285	A	39.5	Very low	40.1	Very low	41 Å²	41	127.5 Å²	127.5	34%	0.339	60%	0.599	S	S	.	*	H	α-helix	trans	-59.6	-40.8	175.1	0	0	0	0	0	111.7	S281 R283 Q288 L289	S281-A285 VanDerWaalsContact O-CB 3.32Å; S281-A285 WeakPolarHBondContact O-CB 3.38Å; S281-A285 PolarHBondContact O-N 2.87Å; R283-A285 PolarHBondContact O-N 3.04Å; A285-Q288 PolarHBondContact O-N 2.77Å; A285-L289 VanDerWaalsContact O-CB 3.31Å; A285-L289 WeakPolarHBondContact O-CB 3.26Å; A285-L289 WeakPolarHBondContact O-CD1 3.26Å; A285-L289 WeakPolarHBondContact O-CG 3.1Å; A285-L289 PolarHBondContact O-N 2.91Å
286	R	40.7	Very low	41.9	Very low	176 Å²	176	128 Å²	128	66%	0.664	59%	0.587	S	S	*	*	H	α-helix	trans	-71.5	-30.2	177.2	-166.6	172.1	175.1	179.2	-2.5	113	F282 R283 Q284 R290	F282-R286 WeakPolarHBondContact O-CB 3.44Å; F282-R286 PolarHBondContact O-N 3.3Å; R283-R286 PolarHBondContact O-N 2.98Å; R283-R286 VanDerWaalsContact O-N 3.16Å; Q284-R286 VanDerWaalsContact C-N 3.31Å; Q284-R286 PolarHBondContact O-N 2.96Å; R286-R290 PolarHBondContact O-N 2.85Å; R286-R290 VanDerWaalsContact O-N 3.15Å
287	E	35.8	Very low	44.1	Very low	106 Å²	106	119.6 Å²	119.6	50%	0.495	56%	0.561	S	S	.	*	H	α-helix	trans	-71.7	-44	171.8	-143.8	76.8	-127.4	0	0	111.2	R283 Q284 R290 R291	R283-E287 PolarHBondContact O-N 3.32Å; Q284-E287 WeakPolarHBondContact O-CB 3.44Å; Q284-E287 PolarHBondContact O-N 2.91Å; E287-R290 WeakPolarHBondContact O-CB 3.41Å; E287-R290 PolarHBondContact O-N 3.39Å; E287-R291 PolarHBondContact O-N 2.85Å
288	Q	40.5	Very low	46.4	Very low	137 Å²	137	114.8 Å²	114.8	64%	0.64	53%	0.527	S	S	*	.	H	α-helix	trans	-63.7	-42	172.8	-86.6	-180	-44	0	0	111.7	Q284 A285 R290 R291 S292	Q284-Q288 WeakPolarHBondContact O-CB 3.34Å; Q284-Q288 PolarHBondContact O-N 3.1Å; A285-Q288 PolarHBondContact O-N 2.77Å; Q288-R290 VanDerWaalsContact C-N 3.3Å; Q288-R290 PolarHBondContact O-N 3.34Å; Q288-R291 CarbonylContact O-C 3.59Å; Q288-R291 PolarHBondContact O-N 2.86Å; Q288-R291 VanDerWaalsContact O-N 3.14Å; Q288-S292 VanDerWaalsContact O-CB 3.26Å; Q288-S292 WeakPolarHBondContact O-CB 3.43Å; Q288-S292 PolarHBondContact O-N 2.93Å
289	L	45.6	Very low	48.7	Very low	67 Å²	67	112.3 Å²	112.3	35%	0.351	52%	0.522	S	S	.	.	H	α-helix	trans	-59.5	-38.5	172.5	-87	158.2	0	0	0	112	A285 R293	A285-L289 VanDerWaalsContact O-CB 3.31Å; A285-L289 WeakPolarHBondContact O-CB 3.26Å; A285-L289 WeakPolarHBondContact O-CD1 3.26Å; A285-L289 WeakPolarHBondContact O-CG 3.1Å; A285-L289 PolarHBondContact O-N 2.91Å; L289-R293 WeakPolarHBondContact O-CB 3.45Å; L289-R293 WeakPolarHBondContact O-CG 3.24Å; L289-R293 PolarHBondContact O-N 2.89Å
290	R	43.3	Very low	50.5	Low	157 Å²	157	108.1 Å²	108.1	59%	0.592	50%	0.5	S	S	*	.	H	α-helix	trans	-66	-38.4	173	-86.5	178.9	162.5	159.9	-6.2	113	R286 E287 Q288 H294	R286-R290 PolarHBondContact O-N 2.85Å; R286-R290 VanDerWaalsContact O-N 3.15Å; E287-R290 WeakPolarHBondContact O-CB 3.41Å; E287-R290 PolarHBondContact O-N 3.39Å; Q288-R290 VanDerWaalsContact C-N 3.3Å; Q288-R290 PolarHBondContact O-N 3.34Å; R290-H294 PolarHBondContact O-ND1 2.87Å
291	R	40.6	Very low	52	Low	201 Å²	201	108.5 Å²	108.5	76%	0.758	49%	0.493	S	S	*	.	H	α-helix	trans	-69.8	-43.8	174	-72.2	178.6	168.9	-176.7	-4.3	111.8	E287 Q288 R293 H294 S295	E287-R291 PolarHBondContact O-N 2.85Å; Q288-R291 CarbonylContact O-C 3.59Å; Q288-R291 PolarHBondContact O-N 2.86Å; Q288-R291 VanDerWaalsContact O-N 3.14Å; R291-R293 PolarHBondContact O-N 2.95Å; R291-H294 PolarHBondContact O-N 2.91Å; R291-H294 VanDerWaalsContact O-N 3.1Å; R291-S295 PolarHBondContact O-N 2.91Å
292	S	44.6	Very low	53.3	Low	50 Å²	50	109.5 Å²	109.5	35%	0.35	50%	0.5	S	S	.	.	H	α-helix	trans	-60.3	-40.6	178.2	-177.5	0	0	0	0	112.5	Q288 H294 S295	Q288-S292 VanDerWaalsContact O-CB 3.26Å; Q288-S292 WeakPolarHBondContact O-CB 3.43Å; Q288-S292 PolarHBondContact O-N 2.93Å; S292-H294 PolarHBondContact O-N 2.97Å; S292-S295 WeakPolarHBondContact O-CA 3.18Å; S292-S295 WeakPolarHBondContact O-CB 3.41Å; S292-S295 PolarHBondContact O-N 2.84Å
293	R	46.6	Very low	54.7	Low	161 Å²	161	103.7 Å²	103.7	61%	0.608	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-15.4	173.8	-83.2	-179.1	167.6	-154.3	-5.7	115.7	L289 R291	L289-R293 WeakPolarHBondContact O-CB 3.45Å; L289-R293 WeakPolarHBondContact O-CG 3.24Å; L289-R293 PolarHBondContact O-N 2.89Å; R291-R293 PolarHBondContact O-N 2.95Å
294	H	48.5	Very low	56	Low	151 Å²	151	97.1 Å²	97.1	70%	0.699	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-12.2	173.8	-62.2	85	0	0	0	112.6	R290 R291 S292	R290-H294 PolarHBondContact O-ND1 2.87Å; R291-H294 PolarHBondContact O-N 2.91Å; R291-H294 VanDerWaalsContact O-N 3.1Å; S292-H294 PolarHBondContact O-N 2.97Å
295	S	60.1	Low	57.4	Low	49 Å²	49	91 Å²	91	34%	0.343	44%	0.442	S	S	.	.			trans	-72.8	132.3	170.7	-166.7	0	0	0	0	110	R291 S292 T297	R291-S295 PolarHBondContact O-N 2.91Å; S292-S295 WeakPolarHBondContact O-CA 3.18Å; S292-S295 WeakPolarHBondContact O-CB 3.41Å; S292-S295 PolarHBondContact O-N 2.84Å; S295-T297 PolarHBondContact OG-O 2.78Å
296	R	72.5	Confident	58.8	Low	131 Å²	131	93.3 Å²	93.3	49%	0.494	45%	0.446	S	S	.	.	S	Bend	trans	-93.6	-20	173.1	-62.1	180	-175.5	158	0.3	112	M87	M87-R296 PolarHBondContact N-O 3.37Å
297	T	77.6	Confident	60.2	Low	49 Å²	49	85 Å²	85	30%	0.301	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	124.4	170.9	-49.4	0	0	0	0	108.9	A84 I85 H86 S295	A84-T297 HydrophobicContact CB-CG2 3.83Å; I85-T297 CarbonylContact O-C 3.48Å; I85-T297 WeakPolarHBondContact O-CA 3.46Å; H86-T297 PolarHBondContact ND1-OG1 3.47Å; H86-T297 VanDerWaalsContact ND1-OG1 3.15Å; S295-T297 PolarHBondContact OG-O 2.78Å
298	F	80.1	Confident	61.9	Low	23 Å²	23	80.5 Å²	80.5	10%	0.101	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.7	172.1	-70	-95	0	0	0	108.5	I85 M87	I85-F298 PolarHBondContact N-O 2.92Å; I85-F298 PolarHBondContact O-N 3.26Å; M87-F298 HydrophobicContact CG-CD2 3.55Å; M87-F298 HydrophobicContact CG-CE2 3.41Å; M87-F298 VanDerWaalsContact CG-CE2 3.41Å; M87-F298 HydrophobicContact SD-CD2 4.24Å; M87-F298 HydrophobicContact SD-CE2 4.38Å
299	L	79.3	Confident	63.2	Low	128 Å²	128	78.2 Å²	78.2	67%	0.67	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	122.9	172.7	-60.2	177.3	0	0	0	109	E83 A84	E83-L299 CarbonylContact O-C 3.54Å; E83-L299 WeakPolarHBondContact O-CA 3.45Å; A84-L299 HydrophobicContact CB-CD2 4.2Å
300	V	78.4	Confident	64.5	Low	14 Å²	14	78.1 Å²	78.1	9%	0.085	39%	0.391	C	S	.	.			trans	-93	106.3	172.9	-179.7	0	0	0	0	107.5	E83 I85 K252 L526	E83-V300 WeakPolarHBondContact CB-O 3.37Å; E83-V300 PolarHBondContact O-N 2.74Å; I85-V300 HydrophobicContact CD1-CG2 3.55Å; I85-V300 HydrophobicContact CG1-CG2 3.98Å; K252-V300 HydrophobicContact CB-CG1 3.84Å; K252-V300 HydrophobicContact CD-CG1 3.89Å; K252-V300 HydrophobicContact CG-CG1 3.7Å; V300-L526 HydrophobicContact CG1-CD1 4.47Å; V300-L526 HydrophobicContact CG1-CD2 4.32Å; V300-L526 HydrophobicContact CG2-CD2 4.45Å
301	E	69.9	Low	65.9	Low	81 Å²	81	71.1 Å²	71.1	38%	0.379	37%	0.365	S	S	.	.			trans	-59.4	143.9	-179.1	-61.9	179.3	-145.9	0	0	112.5	R254 H256	R254-E301 IonicContact CZ-OE2 2.82Å; R254-E301 IonicContact NE-OE1 2.8Å; R254-E301 IonicContact NE-OE2 3.88Å; R254-E301 PolarHBondContact NE-OE2 3Å; R254-E301 IonicContact NH2-OE2 3.85Å; R254-E301 PolarHBondContact NH2-OE2 3.47Å; H256-E301 IonicContact CE1-OE1 2.79Å
302	S	65.2	Low	67.5	Low	73 Å²	73	68.2 Å²	68.2	51%	0.51	36%	0.36	S	S	.	.	S	Bend	trans	-59	152.6	177.9	-27.7	0	0	0	0	112.3	E83 R254	E83-S302 VanDerWaalsContact OE1-CB 3.25Å; E83-S302 WeakPolarHBondContact OE1-CB 3.39Å; E83-S302 PolarHBondContact OE1-OG 3.08Å; E83-S302 PolarHBondContact OE2-OG 2.99Å; R254-S302 PolarHBondContact NH2-O 3.04Å; R254-S302 VanDerWaalsContact NH2-O 3.09Å
303	G	66.3	Low	68.9	Low	49 Å²	49	69.7 Å²	69.7	51%	0.505	37%	0.367	S	S	.	.	S	Bend	trans	83.5	-155.3	177.3	0	0	0	0	0	115.2	K252	K252-G303 WeakPolarHBondContact CD-O 3.28Å; K252-G303 PolarHBondContact NZ-O 2.71Å
304	T	65.2	Low	70.4	Confident	66 Å²	66	63.5 Å²	63.5	41%	0.405	35%	0.353	S	S	.	.			trans	-103.2	143.1	176.1	45.5	0	0	0	0	110.7	R254	R254-T304 PolarHBondContact NH1-O 2.61Å
305	G	64.4	Low	72	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.328	C	S	.	.			trans	-53.9	152.8	178.9	0	0	0	0	0	114.1	R251 L253 L307 W308 S309	R251-G305 PolarHBondContact O-N 2.87Å; L253-G305 WeakPolarHBondContact O-CA 3.44Å; G305-L307 VanDerWaalsContact C-N 3.33Å; G305-L307 PolarHBondContact O-N 3.42Å; G305-W308 CarbonylContact O-C 3.57Å; G305-W308 VanDerWaalsContact O-CA 3.31Å; G305-W308 WeakPolarHBondContact O-CA 3.19Å; G305-W308 WeakPolarHBondContact O-CB 3.45Å; G305-W308 PolarHBondContact O-N 3.25Å; G305-S309 PolarHBondContact O-N 3.44Å; G305-S309 PolarHBondContact O-OG 2.97Å
306	E	69.6	Low	73.4	Confident	90 Å²	90	58.6 Å²	58.6	42%	0.421	32%	0.323	S	S	.	.	H	α-helix	trans	-58.8	-45.9	175.6	-73.5	163.8	159.2	0	0	111.6	R254 L255 W308 S309 E310	R254-E306 WeakPolarHBondContact CB-OE2 3.4Å; L255-E306 HydrophobicContact CD1-CB 4.34Å; L255-E306 HydrophobicContact CG-CB 3.99Å; L255-E306 PolarHBondContact N-OE2 2.76Å; E306-W308 PolarHBondContact O-N 3.02Å; E306-S309 WeakPolarHBondContact O-CB 3.5Å; E306-S309 PolarHBondContact O-N 3.2Å; E306-E310 PolarHBondContact O-N 3.17Å
307	L	70.5	Confident	74.3	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-56.8	-30.1	172.2	-175.5	70.5	0	0	0	111.7	L255 V258 G305 F483 F485 I511	L255-L307 HydrophobicContact CD2-CB 4.23Å; L255-L307 HydrophobicContact CD2-CD1 4.09Å; V258-L307 HydrophobicContact CG1-CD2 4.4Å; G305-L307 VanDerWaalsContact C-N 3.33Å; G305-L307 PolarHBondContact O-N 3.42Å; L307-F483 HydrophobicContact CD1-CE1 3.78Å; L307-F483 HydrophobicContact CG-CE1 4.44Å; L307-F485 HydrophobicContact CD2-CE1 3.78Å; L307-F485 HydrophobicContact CD2-CZ 4.02Å; L307-I511 HydrophobicContact CD1-CD1 4.34Å; L307-I511 HydrophobicContact CD2-CD1 4.47Å; L307-I511 HydrophobicContact CD2-CG1 4.21Å; L307-I511 HydrophobicContact CD2-CG2 3.9Å
308	W	71.3	Confident	75.1	Confident	13 Å²	13	50.1 Å²	50.1	5%	0.049	29%	0.286	C	S	.	.	H	α-helix	trans	-79.7	-26.5	177.4	-152.6	-100.1	0	0	0	113.5	R251 G305 E306 E310 L311 Y317 I334 F485	R251-W308 HydrophobicContact CB-CD2 4.2Å; R251-W308 HydrophobicContact CB-CE3 4.33Å; R251-W308 HydrophobicContact CG-CD2 3.66Å; R251-W308 HydrophobicContact CG-CE3 3.63Å; R251-W308 HydrophobicContact CG-CG 4.47Å; R251-W308 HydrophobicContact CG-CH2 3.38Å; R251-W308 HydrophobicContact CG-CZ2 3.44Å; R251-W308 VanDerWaalsContact CG-CZ2 3.44Å; R251-W308 HydrophobicContact CG-CZ3 3.51Å; G305-W308 CarbonylContact O-C 3.57Å; G305-W308 VanDerWaalsContact O-CA 3.31Å; G305-W308 WeakPolarHBondContact O-CA 3.19Å; G305-W308 WeakPolarHBondContact O-CB 3.45Å; G305-W308 PolarHBondContact O-N 3.25Å; E306-W308 PolarHBondContact O-N 3.02Å; W308-E310 PolarHBondContact O-N 3.04Å; W308-L311 HydrophobicContact CD2-CD1 3.77Å; W308-L311 HydrophobicContact CE3-CD1 3.31Å; W308-L311 HydrophobicContact CG-CD1 4.49Å; W308-L311 HydrophobicContact CH2-CD1 4.17Å; W308-L311 HydrophobicContact CZ3-CD1 3.54Å; W308-L311 WeakPolarHBondContact O-CB 3.48Å; W308-L311 PolarHBondContact O-N 2.72Å; W308-Y317 HydrophobicContact CH2-CD1 4.02Å; W308-Y317 AromaticContact CH2-CE1 3.41Å; W308-Y317 HydrophobicContact CH2-CE1 3.41Å; W308-Y317 VanDerWaalsContact CH2-CE1 3.41Å; W308-Y317 HydrophobicContact CH2-CE2 4.27Å; W308-Y317 AromaticContact CH2-CZ 3.54Å; W308-Y317 HydrophobicContact CZ2-CE1 4.19Å; W308-Y317 HydrophobicContact CZ3-CE1 4.29Å; W308-I334 HydrophobicContact CD2-CD1 4.49Å; W308-I334 HydrophobicContact CH2-CD1 3.69Å; W308-I334 HydrophobicContact CH2-CG1 4.05Å; W308-I334 HydrophobicContact CZ2-CD1 3.32Å; W308-I334 HydrophobicContact CZ2-CG1 3.55Å; W308-I334 HydrophobicContact CZ3-CD1 4.39Å; W308-F485 HydrophobicContact CZ3-CE2 4.35Å; W308-F485 HydrophobicContact CZ3-CZ 4.28Å
309	S	68.6	Low	75.8	Confident	89 Å²	89	49 Å²	49	62%	0.622	28%	0.281	S	S	*	.	H	α-helix	trans	-72.1	-17	172.2	-58.7	0	0	0	0	112.7	G305 E306 L311	G305-S309 PolarHBondContact O-N 3.44Å; G305-S309 PolarHBondContact O-OG 2.97Å; E306-S309 WeakPolarHBondContact O-CB 3.5Å; E306-S309 PolarHBondContact O-N 3.2Å; S309-L311 VanDerWaalsContact C-N 3.25Å; S309-L311 PolarHBondContact O-N 3.28Å
310	E	72.6	Confident	76.6	Confident	65 Å²	65	42.9 Å²	42.9	30%	0.304	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-17.1	169.8	-61.1	-176.4	-149.6	0	0	113.8	E306 W308 R482 R509	E306-E310 PolarHBondContact O-N 3.17Å; W308-E310 PolarHBondContact O-N 3.04Å; E310-R482 PolarHBondContact O-NH1 3.14Å; E310-R482 PolarHBondContact O-NH2 2.91Å; E310-R482 VanDerWaalsContact O-NH2 3.17Å; E310-R482 IonicContact OE2-NH2 3.7Å; E310-R509 IonicContact OE1-CZ 3.41Å; E310-R509 IonicContact OE1-NH1 3.29Å; E310-R509 PolarHBondContact OE1-NH1 3.34Å; E310-R509 IonicContact OE2-NH1 3.3Å; E310-R509 PolarHBondContact OE2-NH1 3.25Å
311	L	72.9	Confident	77.5	Confident	9 Å²	9	42.4 Å²	42.4	5%	0.047	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-93.2	131.2	-171.3	-80.6	154.4	0	0	0	111.5	W308 S309 D315 I334 F483	W308-L311 HydrophobicContact CD2-CD1 3.77Å; W308-L311 HydrophobicContact CE3-CD1 3.31Å; W308-L311 HydrophobicContact CG-CD1 4.49Å; W308-L311 HydrophobicContact CH2-CD1 4.17Å; W308-L311 HydrophobicContact CZ3-CD1 3.54Å; W308-L311 WeakPolarHBondContact O-CB 3.48Å; W308-L311 PolarHBondContact O-N 2.72Å; S309-L311 VanDerWaalsContact C-N 3.25Å; S309-L311 PolarHBondContact O-N 3.28Å; L311-D315 WeakPolarHBondContact CA-OD2 3.41Å; L311-D315 HydrophobicContact CD2-CB 3.44Å; L311-D315 VanDerWaalsContact CD2-CB 3.44Å; L311-I334 HydrophobicContact CB-CD1 3.54Å; L311-I334 HydrophobicContact CD1-CD1 3.74Å; L311-I334 HydrophobicContact CD2-CD1 3.75Å; L311-I334 HydrophobicContact CG-CD1 3.88Å; L311-F483 HydrophobicContact CD1-CD2 4.41Å; L311-F483 HydrophobicContact CD1-CE2 4.22Å; L311-F483 HydrophobicContact CD2-CD2 3.57Å; L311-F483 HydrophobicContact CD2-CE2 3.37Å; L311-F483 HydrophobicContact CD2-CZ 4.42Å; L311-F483 HydrophobicContact CG-CD2 4.21Å; L311-F483 HydrophobicContact CG-CE2 3.69Å; L311-F483 HydrophobicContact CG-CZ 4.31Å
312	Q	72.5	Confident	78.7	Confident	140 Å²	140	38.6 Å²	38.6	65%	0.654	23%	0.228	S	C	*	.	P	Polyproline II helix	trans	-101.2	161.6	-179.1	-62.5	-173.6	-6.9	0	0	111.7	G314 D315	Q312-G314 PolarHBondContact O-N 2.77Å; Q312-D315 PolarHBondContact N-OD2 3.41Å; Q312-D315 WeakPolarHBondContact O-CB 3.46Å; Q312-D315 PolarHBondContact O-N 2.68Å
313	T	75.3	Confident	80.1	Confident	81 Å²	81	35.6 Å²	35.6	50%	0.497	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	125.5	172.6	-60.4	0	0	0	0	110.2	Q336	T313-Q336 WeakPolarHBondContact OG1-CB 3.15Å; T313-Q336 WeakPolarHBondContact OG1-CG 3.35Å; T313-Q336 PolarHBondContact OG1-OE1 2.95Å
314	G	77.3	Confident	81.3	Confident	31 Å²	31	33.7 Å²	33.7	32%	0.32	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.3	-13.3	-176.1	0	0	0	0	0	115	Q312 I334	Q312-G314 PolarHBondContact O-N 2.77Å; G314-I334 PolarHBondContact N-O 3.01Å
315	D	83.3	Confident	82.5	Confident	34 Å²	34	30.7 Å²	30.7	18%	0.182	17%	0.171	C	C	.	.			trans	-60.4	142.6	170.8	-85.6	-26.6	0	0	0	110.6	L311 Q312 I334 R482	L311-D315 WeakPolarHBondContact CA-OD2 3.41Å; L311-D315 HydrophobicContact CD2-CB 3.44Å; L311-D315 VanDerWaalsContact CD2-CB 3.44Å; Q312-D315 PolarHBondContact N-OD2 3.41Å; Q312-D315 WeakPolarHBondContact O-CB 3.46Å; Q312-D315 PolarHBondContact O-N 2.68Å; D315-I334 PolarHBondContact O-N 2.91Å; D315-R482 IonicContact OD1-NH1 2.66Å; D315-R482 IonicContact OD2-CZ 2.7Å; D315-R482 IonicContact OD2-NH1 3.3Å; D315-R482 PolarHBondContact OD2-NH1 3.37Å
316	R	88.8	Confident	83.9	Confident	64 Å²	64	30.9 Å²	30.9	24%	0.242	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141.5	-176.4	-62.4	175.9	179.2	179.4	-9.3	110.7	H332 L344 E477 R479 V481 R482	R316-H332 WeakPolarHBondContact CA-O 3.27Å; R316-L344 HydrophobicContact CG-CD1 3.77Å; R316-E477 PolarHBondContact NH1-O 3.32Å; R316-R479 WeakPolarHBondContact CD-O 3.18Å; R316-R479 PolarHBondContact NH1-O 3.33Å; R316-V481 HydrophobicContact CB-CG2 4.09Å; R316-V481 WeakPolarHBondContact O-CA 3.18Å; R316-R482 PolarHBondContact O-N 3.11Å
317	Y	91.1	Very high	85.1	Confident	1 Å²	1	26.6 Å²	26.6	0%	0.004	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	156.2	175.1	67.6	-81.5	0	0	0	111.3	S247 W308 V319 H332 I334 L341 F483 F485	S247-Y317 WeakPolarHBondContact OG-CE2 3.39Å; S247-Y317 PolarHBondContact OG-OH 3.36Å; W308-Y317 HydrophobicContact CH2-CD1 4.02Å; W308-Y317 AromaticContact CH2-CE1 3.41Å; W308-Y317 HydrophobicContact CH2-CE1 3.41Å; W308-Y317 VanDerWaalsContact CH2-CE1 3.41Å; W308-Y317 HydrophobicContact CH2-CE2 4.27Å; W308-Y317 AromaticContact CH2-CZ 3.54Å; W308-Y317 HydrophobicContact CZ2-CE1 4.19Å; W308-Y317 HydrophobicContact CZ3-CE1 4.29Å; Y317-V319 HydrophobicContact CD2-CG2 4.01Å; Y317-V319 HydrophobicContact CE2-CG2 3.71Å; Y317-H332 HydrophobicContact CD1-CB 4.08Å; Y317-H332 HydrophobicContact CD2-CB 4.4Å; Y317-H332 HydrophobicContact CE1-CB 3.38Å; Y317-H332 HydrophobicContact CE2-CB 3.8Å; Y317-H332 AromaticContact CE2-ND1 3.73Å; Y317-H332 AromaticContact CZ-CG 3.75Å; Y317-H332 AromaticContact CZ-ND1 3.9Å; Y317-H332 PolarHBondContact N-O 2.94Å; Y317-H332 VanDerWaalsContact N-O 3.1Å; Y317-H332 PolarHBondContact O-N 2.88Å; Y317-H332 WeakPolarHBondContact OH-CB 3.39Å; Y317-I334 HydrophobicContact CD1-CD1 4.36Å; Y317-I334 HydrophobicContact CD1-CG1 4.31Å; Y317-I334 HydrophobicContact CE1-CD1 4.3Å; Y317-I334 HydrophobicContact CE1-CG1 3.92Å; Y317-L341 WeakPolarHBondContact OH-CD2 3.34Å; Y317-F483 VanDerWaalsContact CA-O 3.22Å; Y317-F483 WeakPolarHBondContact CA-O 3.4Å; Y317-F483 WeakPolarHBondContact CB-O 3.49Å; Y317-F485 AromaticContact CD2-CD2 3.72Å; Y317-F485 HydrophobicContact CD2-CD2 3.72Å; Y317-F485 AromaticContact CD2-CE2 3.8Å; Y317-F485 HydrophobicContact CD2-CE2 3.8Å; Y317-F485 HydrophobicContact CE2-CD2 4.43Å; Y317-F485 HydrophobicContact CE2-CE2 4.48Å; Y317-F485 HydrophobicContact CG-CD2 4.4Å; Y317-F485 HydrophobicContact CG-CE2 4.14Å
318	V	93.9	Very high	86.2	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	137.6	173.9	175.2	0	0	0	0	108.5	T330 V331 V478 V481 F483 L484 F485	V318-T330 WeakPolarHBondContact CA-O 3.42Å; V318-V331 HydrophobicContact CG2-CG2 4.31Å; V318-V478 HydrophobicContact CG2-CG1 4.34Å; V318-V481 HydrophobicContact CB-CG1 4.48Å; V318-V481 HydrophobicContact CG2-CB 4.45Å; V318-V481 HydrophobicContact CG2-CG1 3.89Å; V318-V481 HydrophobicContact CG2-CG2 3.78Å; V318-F483 PolarHBondContact N-O 3.28Å; V318-L484 HydrophobicContact CB-CD1 4.41Å; V318-L484 HydrophobicContact CB-CG 4.46Å; V318-L484 HydrophobicContact CG1-CD1 4.32Å; V318-L484 WeakPolarHBondContact O-CA 3.37Å; V318-F485 PolarHBondContact O-N 3.33Å
319	V	95.1	Very high	87.3	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	122.2	161.1	-176.5	0	0	0	0	107.2	P243 A246 Y317 L329 T330 F485 V487	P243-V319 HydrophobicContact CB-CB 4.49Å; P243-V319 HydrophobicContact CB-CG1 4.14Å; A246-V319 HydrophobicContact CB-CG1 4.14Å; Y317-V319 HydrophobicContact CD2-CG2 4.01Å; Y317-V319 HydrophobicContact CE2-CG2 3.71Å; V319-L329 WeakPolarHBondContact O-CA 3.38Å; V319-T330 PolarHBondContact N-O 2.83Å; V319-T330 PolarHBondContact O-N 3.1Å; V319-F485 HydrophobicContact CG2-CB 4.37Å; V319-V487 HydrophobicContact CG1-CG1 4.44Å; V319-V487 HydrophobicContact CG1-CG2 3.61Å
320	A	96.2	Very high	88.4	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	89.3	179.2	0	0	0	0	0	108.8	C322 L329 I469 L484 F485 L486 V487	A320-C322 PolarHBondContact O-N 2.81Å; A320-L329 HydrophobicContact CB-CD2 3.48Å; A320-L329 VanDerWaalsContact CB-CD2 3.48Å; A320-I469 HydrophobicContact CB-CD1 4.37Å; A320-L484 HydrophobicContact CB-CD2 4.36Å; A320-F485 PolarHBondContact N-O 2.91Å; A320-L486 HydrophobicContact CB-CD1 4.21Å; A320-V487 PolarHBondContact O-N 2.95Å
321	D	96.7	Very high	89.3	Confident	4 Å²	4	18.9 Å²	18.9	2%	0.021	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	104.6	176	-166.3	-14.2	0	0	0	109.7	P243 G323 V327 D328 V487 G488 I520	P243-D321 HydrophobicContact CB-CB 4.21Å; D321-G323 PolarHBondContact O-N 3.31Å; D321-V327 CarbonylContact O-C 3.6Å; D321-V327 WeakPolarHBondContact O-CA 3.4Å; D321-D328 HydrophobicContact CB-CB 4.37Å; D321-D328 PolarHBondContact N-O 3.29Å; D321-D328 PolarHBondContact O-N 3.15Å; D321-V487 VanDerWaalsContact CA-CG2 3.5Å; D321-V487 HydrophobicContact CB-CG2 3.75Å; D321-G488 WeakPolarHBondContact OD1-CA 3.42Å; D321-I520 WeakPolarHBondContact OD2-CD1 3.28Å; D321-I520 WeakPolarHBondContact OD2-CG1 3.41Å
322	C	96.5	Very high	90	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	86.7	176	-64.2	0	0	0	0	108.4	A320 V327 L486 V487 G488 G489 F490 L496	A320-C322 PolarHBondContact O-N 2.81Å; C322-V327 HydrophobicContact CB-CG2 4.36Å; C322-L486 HydrophobicContact CB-CD1 4.48Å; C322-L486 VanDerWaalsContact SG-CD1 3.51Å; C322-V487 PolarHBondContact N-O 2.89Å; C322-G488 CarbonylContact O-C 3.59Å; C322-G489 PolarHBondContact O-N 2.66Å; C322-F490 HydrophobicContact CB-CB 4.12Å; C322-F490 WeakPolarHBondContact O-CA 3.44Å; C322-F490 WeakPolarHBondContact O-CB 3.44Å; C322-F490 PolarHBondContact O-N 3.32Å; C322-L496 HydrophobicContact CB-CD2 3.73Å
323	G	93.7	Very high	90.7	Very high	10 Å²	10	13.8 Å²	13.8	10%	0.103	8%	0.083	C	C	.	.			trans	-79.3	-178.3	-179.4	0	0	0	0	0	114.2	D321 T326 G353 A354	D321-G323 PolarHBondContact O-N 3.31Å; G323-T326 WeakPolarHBondContact CA-O 3.21Å; G323-T326 PolarHBondContact N-O 3.49Å; G323-G353 VanDerWaalsContact O-CA 3.29Å; G323-G353 WeakPolarHBondContact O-CA 3.29Å; G323-A354 PolarHBondContact O-N 3.13Å
324	G	91.8	Very high	90.8	Very high	9 Å²	9	10.1 Å²	10.1	9%	0.093	6%	0.061	C	C	.	.	S	Bend	trans	-69.9	-37.9	172.9	0	0	0	0	0	112.9	G353 A354 V355	G324-G353 CarbonylContact O-C 3.51Å; G324-G353 VanDerWaalsContact O-C 3.27Å; G324-A354 PolarHBondContact O-N 3.26Å; G324-V355 WeakPolarHBondContact O-CB 3.43Å; G324-V355 VanDerWaalsContact O-CG2 3.28Å; G324-V355 WeakPolarHBondContact O-CG2 3.2Å; G324-V355 PolarHBondContact O-N 2.84Å
325	G	91.4	Very high	90.5	Very high	3 Å²	3	10 Å²	10	3%	0.031	5%	0.052	C	C	.	.	S	Bend	trans	-108.6	-51.5	-176.3	0	0	0	0	0	114.3	M145 P351 G353	M145-G325 WeakPolarHBondContact SD-CA 3.45Å; G325-P351 CarbonylContact O-C 3.55Å; G325-P351 WeakPolarHBondContact O-CA 3.39Å; G325-G353 PolarHBondContact O-N 3.14Å
326	T	93	Very high	89.5	Confident	4 Å²	4	14.2 Å²	14.2	3%	0.025	7%	0.07	C	C	.	.			trans	-106	163.8	178.3	58	0	0	0	0	111.6	G323 D328 G350	G323-T326 WeakPolarHBondContact CA-O 3.21Å; G323-T326 PolarHBondContact N-O 3.49Å; T326-D328 WeakPolarHBondContact CB-OD2 3.37Å; T326-D328 PolarHBondContact OG1-OD2 3.11Å; T326-G350 CarbonylContact C-O 3.5Å; T326-G350 VanDerWaalsContact CA-O 3.27Å; T326-G350 WeakPolarHBondContact CA-O 3.42Å
327	V	94.6	Very high	87.8	Confident	1 Å²	1	17.1 Å²	17.1	1%	0.006	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.3	160	174.4	0	0	0	0	108.1	D321 C322 L329 G349 G350 I465	D321-V327 CarbonylContact O-C 3.6Å; D321-V327 WeakPolarHBondContact O-CA 3.4Å; C322-V327 HydrophobicContact CB-CG2 4.36Å; V327-L329 HydrophobicContact CG1-CD2 4.13Å; V327-G349 CarbonylContact O-C 3.53Å; V327-G349 WeakPolarHBondContact O-CA 3.07Å; V327-G350 PolarHBondContact N-O 3.3Å; V327-G350 PolarHBondContact O-N 3.35Å; V327-G350 VanDerWaalsContact O-N 3.08Å; V327-I465 HydrophobicContact CG1-CG2 4.38Å; V327-I465 HydrophobicContact CG2-CD1 3.85Å; V327-I465 HydrophobicContact CG2-CG1 3.83Å
328	D	94.3	Very high	86.1	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.1	-170.9	-74.4	-107.9	0	0	0	110	P208 A209 V210 P243 D321 T326	P208-D328 WeakPolarHBondContact CB-OD1 3.48Å; A209-D328 PolarHBondContact N-OD1 3.4Å; V210-D328 WeakPolarHBondContact CG2-OD1 3.31Å; V210-D328 PolarHBondContact N-OD1 3.42Å; P243-D328 HydrophobicContact CG-CB 4.13Å; D321-D328 HydrophobicContact CB-CB 4.37Å; D321-D328 PolarHBondContact N-O 3.29Å; D321-D328 PolarHBondContact O-N 3.15Å; T326-D328 WeakPolarHBondContact CB-OD2 3.37Å; T326-D328 PolarHBondContact OG1-OD2 3.11Å
329	L	93.7	Very high	84.7	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.7	-179.7	-51.5	-169.7	0	0	0	110.6	V319 A320 V327 A347 S348 H468 I469 L472	V319-L329 WeakPolarHBondContact O-CA 3.38Å; A320-L329 HydrophobicContact CB-CD2 3.48Å; A320-L329 VanDerWaalsContact CB-CD2 3.48Å; V327-L329 HydrophobicContact CG1-CD2 4.13Å; L329-A347 WeakPolarHBondContact O-CA 3.18Å; L329-S348 WeakPolarHBondContact CB-O 3.4Å; L329-S348 PolarHBondContact N-O 3.37Å; L329-S348 PolarHBondContact O-N 2.96Å; L329-H468 WeakPolarHBondContact CD1-CD2 3.3Å; L329-I469 HydrophobicContact CD1-CB 4.26Å; L329-I469 HydrophobicContact CD1-CG1 3.68Å; L329-I469 HydrophobicContact CD2-CG1 3.97Å; L329-L472 HydrophobicContact CB-CD2 3.59Å; L329-L472 HydrophobicContact CD1-CB 4.28Å; L329-L472 HydrophobicContact CD1-CD2 3.55Å; L329-L472 HydrophobicContact CG-CD2 4.24Å
330	T	92.1	Very high	83.7	Confident	2 Å²	2	24.2 Å²	24.2	1%	0.012	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	144.6	170.4	52.4	0	0	0	0	111.1	A209 P243 V318 V319 H332 A347	A209-T330 HydrophobicContact CB-CG2 4.33Å; P243-T330 HydrophobicContact CB-CG2 3.99Å; P243-T330 HydrophobicContact CG-CG2 3.58Å; V318-T330 WeakPolarHBondContact CA-O 3.42Å; V319-T330 PolarHBondContact N-O 2.83Å; V319-T330 PolarHBondContact O-N 3.1Å; T330-H332 PolarHBondContact OG1-CE1 2.6Å; T330-A347 HydrophobicContact CG2-CB 3.97Å
331	V	91.6	Very high	82.7	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.5	-179	-170.6	0	0	0	0	109	V318 E343 L344 L472 V478	V318-V331 HydrophobicContact CG2-CG2 4.31Å; V331-E343 WeakPolarHBondContact O-CA 3.38Å; V331-L344 HydrophobicContact CG1-CB 4.21Å; V331-L344 HydrophobicContact CG1-CD1 4.48Å; V331-L344 PolarHBondContact O-N 2.72Å; V331-L472 HydrophobicContact CG2-CD1 4.12Å; V331-L472 HydrophobicContact CG2-CD2 3.83Å; V331-L472 HydrophobicContact CG2-CG 4.15Å; V331-V478 HydrophobicContact CB-CG2 4.47Å; V331-V478 HydrophobicContact CG1-CB 4.41Å; V331-V478 HydrophobicContact CG1-CG1 3.85Å; V331-V478 HydrophobicContact CG1-CG2 4.17Å; V331-V478 HydrophobicContact CG2-CG1 3.87Å; V331-V478 HydrophobicContact CG2-CG2 3.89Å
332	H	88.3	Confident	82	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148	-173.1	-65.9	106.2	0	0	0	111.8	R316 Y317 T330 K342	R316-H332 WeakPolarHBondContact CA-O 3.27Å; Y317-H332 HydrophobicContact CD1-CB 4.08Å; Y317-H332 HydrophobicContact CD2-CB 4.4Å; Y317-H332 HydrophobicContact CE1-CB 3.38Å; Y317-H332 HydrophobicContact CE2-CB 3.8Å; Y317-H332 AromaticContact CE2-ND1 3.73Å; Y317-H332 AromaticContact CZ-CG 3.75Å; Y317-H332 AromaticContact CZ-ND1 3.9Å; Y317-H332 PolarHBondContact N-O 2.94Å; Y317-H332 VanDerWaalsContact N-O 3.1Å; Y317-H332 PolarHBondContact O-N 2.88Å; Y317-H332 WeakPolarHBondContact OH-CB 3.39Å; T330-H332 PolarHBondContact OG1-CE1 2.6Å; H332-K342 WeakPolarHBondContact CA-O 3.43Å
333	Q	85.4	Confident	81.4	Confident	41 Å²	41	27.4 Å²	27.4	19%	0.192	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	144.8	166.8	-175.6	176.5	-40.8	0	0	110	K342 L344	Q333-K342 PolarHBondContact N-O 3.31Å; Q333-K342 PolarHBondContact O-N 3.32Å; Q333-L344 HydrophobicContact CB-CD1 3.83Å; Q333-L344 HydrophobicContact CB-CD2 3.75Å; Q333-L344 HydrophobicContact CB-CG 3.73Å
334	I	77.4	Confident	80.7	Confident	4 Å²	4	28.2 Å²	28.2	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	128	-178.8	-59.1	171.5	0	0	0	110.5	W308 L311 G314 D315 Y317	W308-I334 HydrophobicContact CD2-CD1 4.49Å; W308-I334 HydrophobicContact CH2-CD1 3.69Å; W308-I334 HydrophobicContact CH2-CG1 4.05Å; W308-I334 HydrophobicContact CZ2-CD1 3.32Å; W308-I334 HydrophobicContact CZ2-CG1 3.55Å; W308-I334 HydrophobicContact CZ3-CD1 4.39Å; L311-I334 HydrophobicContact CB-CD1 3.54Å; L311-I334 HydrophobicContact CD1-CD1 3.74Å; L311-I334 HydrophobicContact CD2-CD1 3.75Å; L311-I334 HydrophobicContact CG-CD1 3.88Å; G314-I334 PolarHBondContact N-O 3.01Å; D315-I334 PolarHBondContact O-N 2.91Å; Y317-I334 HydrophobicContact CD1-CD1 4.36Å; Y317-I334 HydrophobicContact CD1-CG1 4.31Å; Y317-I334 HydrophobicContact CE1-CD1 4.3Å; Y317-I334 HydrophobicContact CE1-CG1 3.92Å
335	E	71.5	Confident	80.3	Confident	29 Å²	29	29.8 Å²	29.8	14%	0.136	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.1	175.4	-62.3	-173.9	128.5	0	0	110.7	G339 T340 K342 R535	E335-G339 CarbonylContact O-C 3.58Å; E335-G339 WeakPolarHBondContact O-CA 3.49Å; E335-G339 PolarHBondContact O-N 3.2Å; E335-T340 PolarHBondContact N-O 2.83Å; E335-T340 PolarHBondContact O-N 2.93Å; E335-K342 VanDerWaalsContact CD-CD 3.46Å; E335-K342 HydrophobicContact CG-CB 4.25Å; E335-K342 HydrophobicContact CG-CD 4.32Å; E335-K342 WeakPolarHBondContact OE1-CD 3.17Å; E335-K342 IonicContact OE1-NZ 3.05Å; E335-K342 PolarHBondContact OE1-NZ 2.97Å; E335-R535 IonicContact OE1-NH2 2.81Å; E335-R535 PolarHBondContact OE1-NH2 2.92Å; E335-R535 IonicContact OE2-CZ 3.71Å; E335-R535 VanDerWaalsContact OE2-CZ 3.3Å; E335-R535 IonicContact OE2-NE 2.7Å; E335-R535 PolarHBondContact OE2-NE 3.01Å; E335-R535 IonicContact OE2-NH2 3.34Å; E335-R535 PolarHBondContact OE2-NH2 3.19Å
336	Q	63.2	Low	79.9	Confident	123 Å²	123	32.4 Å²	32.4	58%	0.575	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	159.6	171.2	-77.3	-178.6	1.9	0	0	111.4	T313	T313-Q336 WeakPolarHBondContact OG1-CB 3.15Å; T313-Q336 WeakPolarHBondContact OG1-CG 3.35Å; T313-Q336 PolarHBondContact OG1-OE1 2.95Å
337	P	52.8	Low	79.6	Confident	125 Å²	125	33.4 Å²	33.4	81%	0.812	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	cis	-85.5	-11.7	6.1	33.2	-35.1	0	0	0	115.1
338	Q	55.5	Low	79.4	Confident	127 Å²	127	34.4 Å²	34.4	59%	0.593	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-10.2	-172.2	-68.2	158.3	-14.7	0	0	113.7	T340	Q338-T340 HydrophobicContact CB-CG2 3.95Å; Q338-T340 PolarHBondContact O-N 3.43Å
339	G	64.4	Low	79.2	Confident	8 Å²	8	35.5 Å²	35.5	8%	0.082	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	23.8	-173.9	0	0	0	0	0	113	R251 E335	R251-G339 PolarHBondContact NH1-O 3.05Å; R251-G339 PolarHBondContact NH2-O 3.4Å; E335-G339 CarbonylContact O-C 3.58Å; E335-G339 WeakPolarHBondContact O-CA 3.49Å; E335-G339 PolarHBondContact O-N 3.2Å
340	T	73.3	Confident	78.9	Confident	14 Å²	14	35.7 Å²	35.7	9%	0.086	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	150.7	-177.1	40.4	0	0	0	0	111.8	E335 Q338 R535	E335-T340 PolarHBondContact N-O 2.83Å; E335-T340 PolarHBondContact O-N 2.93Å; Q338-T340 HydrophobicContact CB-CG2 3.95Å; Q338-T340 PolarHBondContact O-N 3.43Å; T340-R535 HydrophobicContact CG2-CB 4.31Å
341	L	74.8	Confident	78.8	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	130.8	-178.4	-57	-171.7	0	0	0	111.3	I248 Y317 V533 V534 R535 V536	I248-L341 HydrophobicContact CG1-CD1 4.29Å; Y317-L341 WeakPolarHBondContact OH-CD2 3.34Å; L341-V533 HydrophobicContact CG-CG1 4.49Å; L341-V533 PolarHBondContact N-O 3.45Å; L341-V534 HydrophobicContact CD1-CG2 4.35Å; L341-R535 PolarHBondContact O-N 2.96Å; L341-V536 PolarHBondContact O-N 3.45Å
342	K	82.1	Confident	78.7	Confident	58 Å²	58	42 Å²	42	25%	0.252	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	115.4	167.3	172.5	168.2	179.4	-178.2	0	109.6	H332 Q333 E335 L344 V536	H332-K342 WeakPolarHBondContact CA-O 3.43Å; Q333-K342 PolarHBondContact N-O 3.31Å; Q333-K342 PolarHBondContact O-N 3.32Å; E335-K342 VanDerWaalsContact CD-CD 3.46Å; E335-K342 HydrophobicContact CG-CB 4.25Å; E335-K342 HydrophobicContact CG-CD 4.32Å; E335-K342 WeakPolarHBondContact OE1-CD 3.17Å; E335-K342 IonicContact OE1-NZ 3.05Å; E335-K342 PolarHBondContact OE1-NZ 2.97Å; K342-L344 HydrophobicContact CG-CD2 4.48Å; K342-L344 PolarHBondContact O-N 2.63Å; K342-V536 HydrophobicContact CB-CB 4.23Å; K342-V536 HydrophobicContact CG-CB 4Å; K342-V536 HydrophobicContact CG-CG1 4.17Å
343	E	83.8	Confident	78.9	Confident	13 Å²	13	42 Å²	42	6%	0.061	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	125.9	169.7	-170.3	-175.1	-167.1	0	0	109	V331 Y345 K346 A347 V536 R537 R538	V331-E343 WeakPolarHBondContact O-CA 3.38Å; E343-Y345 WeakPolarHBondContact CG-O 3.39Å; E343-K346 WeakPolarHBondContact OE1-CA 3.35Å; E343-A347 PolarHBondContact OE1-N 2.76Å; E343-V536 PolarHBondContact N-O 3.35Å; E343-R537 WeakPolarHBondContact OE2-CA 3.32Å; E343-R538 HydrophobicContact CB-CG 4.03Å; E343-R538 HydrophobicContact CG-CB 4.35Å; E343-R538 HydrophobicContact CG-CG 3.79Å; E343-R538 WeakPolarHBondContact O-CD 3.2Å; E343-R538 WeakPolarHBondContact O-CG 3.34Å; E343-R538 PolarHBondContact OE2-N 3.1Å
344	L	80.6	Confident	79.3	Confident	27 Å²	27	40.6 Å²	40.6	14%	0.141	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-37.9	177.7	-71.8	-170.2	0	0	0	112.6	R316 V331 Q333 K342 R538	R316-L344 HydrophobicContact CG-CD1 3.77Å; V331-L344 HydrophobicContact CG1-CB 4.21Å; V331-L344 HydrophobicContact CG1-CD1 4.48Å; V331-L344 PolarHBondContact O-N 2.72Å; Q333-L344 HydrophobicContact CB-CD1 3.83Å; Q333-L344 HydrophobicContact CB-CD2 3.75Å; Q333-L344 HydrophobicContact CB-CG 3.73Å; K342-L344 HydrophobicContact CG-CD2 4.48Å; K342-L344 PolarHBondContact O-N 2.63Å; L344-R538 PolarHBondContact O-NE 3.16Å
345	Y	82.9	Confident	80.2	Confident	43 Å²	43	41.5 Å²	41.5	17%	0.169	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	133.3	-175.4	-164.7	-92.6	0	0	0	108	E343 A347 L472 K475 E477 V478	E343-Y345 WeakPolarHBondContact CG-O 3.39Å; Y345-A347 PolarHBondContact O-N 2.79Å; Y345-L472 HydrophobicContact CD1-CD1 3.51Å; Y345-L472 HydrophobicContact CE1-CD1 3.73Å; Y345-L472 HydrophobicContact CG-CD1 4.21Å; Y345-K475 HydrophobicContact CE2-CG 4.37Å; Y345-E477 HydrophobicContact CD2-CB 4.21Å; Y345-E477 HydrophobicContact CD2-CG 4.47Å; Y345-V478 HydrophobicContact CD2-CG2 4.25Å; Y345-V478 HydrophobicContact CG-CG2 4.09Å
346	K	82.6	Confident	81.3	Confident	57 Å²	57	41.1 Å²	41.1	25%	0.248	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	138.1	-178.7	63.7	-168.9	171.7	-158.8	0	111.2	E343 S348 R538 D581	E343-K346 WeakPolarHBondContact OE1-CA 3.35Å; K346-S348 PolarHBondContact O-N 3.27Å; K346-R538 HydrophobicContact CB-CB 4.26Å; K346-D581 WeakPolarHBondContact CE-OD2 3.4Å; K346-D581 IonicContact NZ-OD2 3.12Å; K346-D581 PolarHBondContact NZ-OD2 3.05Å
347	A	86.4	Confident	83	Confident	26 Å²	26	35.2 Å²	35.2	22%	0.215	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-43.6	132.3	172.5	0	0	0	0	0	112.4	A209 L329 T330 E343 Y345	A209-A347 HydrophobicContact CB-CB 3.47Å; A209-A347 VanDerWaalsContact CB-CB 3.47Å; L329-A347 WeakPolarHBondContact O-CA 3.18Å; T330-A347 HydrophobicContact CG2-CB 3.97Å; E343-A347 PolarHBondContact OE1-N 2.76Å; Y345-A347 PolarHBondContact O-N 2.79Å
348	S	90	Very high	85	Confident	22 Å²	22	29.6 Å²	29.6	15%	0.154	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	155	-177.1	71.6	0	0	0	0	110.5	V210 L329 K346 H468	V210-S348 VanDerWaalsContact CG1-C 3.48Å; L329-S348 WeakPolarHBondContact CB-O 3.4Å; L329-S348 PolarHBondContact N-O 3.37Å; L329-S348 PolarHBondContact O-N 2.96Å; K346-S348 PolarHBondContact O-N 3.27Å; S348-H468 PolarHBondContact OG-NE2 2.81Å
349	G	89.9	Confident	86.9	Confident	23 Å²	23	28.6 Å²	28.6	24%	0.237	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.1	-164.5	-172.4	0	0	0	0	0	112.6	V327 H468	V327-G349 CarbonylContact O-C 3.53Å; V327-G349 WeakPolarHBondContact O-CA 3.07Å; G349-H468 WeakPolarHBondContact CA-NE2 3.39Å; G349-H468 PolarHBondContact N-NE2 2.66Å
350	G	88.9	Confident	88.5	Confident	5 Å²	5	29.4 Å²	29.4	5%	0.052	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.6	-175.2	180	0	0	0	0	0	113.4	T326 V327 Y352	T326-G350 CarbonylContact C-O 3.5Å; T326-G350 VanDerWaalsContact CA-O 3.27Å; T326-G350 WeakPolarHBondContact CA-O 3.42Å; V327-G350 PolarHBondContact N-O 3.3Å; V327-G350 PolarHBondContact O-N 3.35Å; V327-G350 VanDerWaalsContact O-N 3.08Å; G350-Y352 PolarHBondContact O-N 3.07Å
351	P	90.3	Very high	89.7	Confident	78 Å²	78	28.7 Å²	28.7	51%	0.506	17%	0.167	S	C	.	.	S	Bend	trans	-77.5	52.8	-177.6	34.2	-37.3	0	0	0	112.2	M145 G325	M145-P351 HydrophobicContact CE-CB 3.85Å; G325-P351 CarbonylContact O-C 3.55Å; G325-P351 WeakPolarHBondContact O-CA 3.39Å
352	Y	87.7	Confident	90.7	Very high	59 Å²	59	30.6 Å²	30.6	23%	0.231	18%	0.176	C	C	.	.			trans	-101.6	15.1	-175	-44.6	-49.2	0	0	0	113.1	G350 T461 N464 I465 H468	G350-Y352 PolarHBondContact O-N 3.07Å; Y352-T461 WeakPolarHBondContact O-CG2 3.46Å; Y352-N464 HydrophobicContact CD1-CB 3.91Å; Y352-N464 HydrophobicContact CE1-CB 4.36Å; Y352-N464 HydrophobicContact CG-CB 4.15Å; Y352-I465 WeakPolarHBondContact O-CD1 3.13Å; Y352-H468 HydrophobicContact CE2-CB 4.42Å
353	G	93.4	Very high	91.4	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.01	19%	0.187	C	C	.	.	S	Bend	trans	-72.1	178.8	-175.6	0	0	0	0	0	114.3	G323 G324 G325 V355 G356 T461	G323-G353 VanDerWaalsContact O-CA 3.29Å; G323-G353 WeakPolarHBondContact O-CA 3.29Å; G324-G353 CarbonylContact O-C 3.51Å; G324-G353 VanDerWaalsContact O-C 3.27Å; G325-G353 PolarHBondContact O-N 3.14Å; G353-V355 PolarHBondContact O-N 2.89Å; G353-G356 PolarHBondContact O-N 3.08Å; G353-T461 WeakPolarHBondContact O-CG2 3.39Å
354	A	94.9	Very high	92	Very high	10 Å²	10	30.4 Å²	30.4	8%	0.083	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-19.6	-178.5	0	0	0	0	0	116	G323 G324 G356 V357 K396 F490	G323-A354 PolarHBondContact O-N 3.13Å; G324-A354 PolarHBondContact O-N 3.26Å; A354-G356 PolarHBondContact O-N 3.18Å; A354-V357 WeakPolarHBondContact O-CB 3.49Å; A354-V357 PolarHBondContact O-N 2.93Å; A354-K396 PolarHBondContact O-NZ 2.9Å; A354-F490 HydrophobicContact CB-CB 4.02Å; A354-F490 HydrophobicContact CB-CD1 4.23Å; A354-F490 HydrophobicContact CB-CD2 3.6Å; A354-F490 HydrophobicContact CB-CE2 4.07Å; A354-F490 HydrophobicContact CB-CG 3.7Å
355	V	94.7	Very high	92.7	Very high	23 Å²	23	29.1 Å²	29.1	14%	0.139	18%	0.179	C	C	.	.	H	α-helix	trans	-64.2	-26.2	172.8	168.5	0	0	0	0	112.1	T69 T70 K142 G324 G353 V357 D358 L359	T69-V355 HydrophobicContact CG2-CG2 4.5Å; T70-V355 HydrophobicContact CG2-CG2 3.87Å; K142-V355 HydrophobicContact CD-CG2 3.86Å; K142-V355 HydrophobicContact CG-CG2 4.43Å; G324-V355 WeakPolarHBondContact O-CB 3.43Å; G324-V355 VanDerWaalsContact O-CG2 3.28Å; G324-V355 WeakPolarHBondContact O-CG2 3.2Å; G324-V355 PolarHBondContact O-N 2.84Å; G353-V355 PolarHBondContact O-N 2.89Å; V355-V357 PolarHBondContact O-N 3.24Å; V355-D358 WeakPolarHBondContact O-CA 3.39Å; V355-D358 WeakPolarHBondContact O-CB 3.43Å; V355-D358 PolarHBondContact O-N 3.35Å; V355-L359 HydrophobicContact CG1-CG 4.44Å; V355-L359 PolarHBondContact O-N 3.45Å
356	G	96.1	Very high	93.3	Very high	21 Å²	21	28.1 Å²	28.1	22%	0.216	18%	0.178	C	C	.	.	H	α-helix	trans	-58.9	-30.1	172.5	0	0	0	0	0	113.3	G353 A354 A360 T461	G353-G356 PolarHBondContact O-N 3.08Å; A354-G356 PolarHBondContact O-N 3.18Å; G356-A360 PolarHBondContact O-N 3.06Å; G356-T461 WeakPolarHBondContact CA-OG1 3.27Å
357	V	97.4	Very high	93.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-73.6	-30.9	175.1	-172.7	0	0	0	0	111.5	A354 V355 F361 F392 K396 L457 F458 T461 F490	A354-V357 WeakPolarHBondContact O-CB 3.49Å; A354-V357 PolarHBondContact O-N 2.93Å; V355-V357 PolarHBondContact O-N 3.24Å; V357-F361 PolarHBondContact O-N 2.71Å; V357-F361 VanDerWaalsContact O-N 3.11Å; V357-F392 HydrophobicContact CG1-CE1 4.43Å; V357-F392 HydrophobicContact CG1-CZ 4.09Å; V357-K396 HydrophobicContact CB-CD 3.88Å; V357-K396 HydrophobicContact CG1-CD 3.71Å; V357-K396 HydrophobicContact CG1-CG 4.06Å; V357-L457 HydrophobicContact CG1-CB 4.27Å; V357-F458 HydrophobicContact CG1-CD2 3.56Å; V357-F458 HydrophobicContact CG1-CE2 3.62Å; V357-F458 HydrophobicContact CG1-CG 4.08Å; V357-F458 HydrophobicContact CG1-CZ 4.14Å; V357-F458 HydrophobicContact CG2-CD1 4.13Å; V357-F458 HydrophobicContact CG2-CE1 4.44Å; V357-F458 HydrophobicContact CG2-CG 4.19Å; V357-T461 HydrophobicContact CG2-CG2 4.27Å; V357-T461 PolarHBondContact N-OG1 2.76Å; V357-F490 HydrophobicContact CG2-CE2 4.41Å; V357-F490 HydrophobicContact CG2-CZ 3.97Å
358	D	96.1	Very high	94.2	Very high	6 Å²	6	31 Å²	31	3%	0.032	19%	0.189	C	C	.	.	H	α-helix	trans	-69.5	-41.7	173.8	-58.8	-25.5	0	0	0	111	K142 V355 F361 E362 M389 F392 K396	K142-D358 IonicContact NZ-OD2 3.58Å; K142-D358 PolarHBondContact NZ-OD2 2.9Å; V355-D358 WeakPolarHBondContact O-CA 3.39Å; V355-D358 WeakPolarHBondContact O-CB 3.43Å; V355-D358 PolarHBondContact O-N 3.35Å; D358-F361 PolarHBondContact O-N 3.01Å; D358-F361 VanDerWaalsContact O-N 3.16Å; D358-E362 PolarHBondContact O-N 3.25Å; D358-M389 HydrophobicContact CB-CE 3.74Å; D358-F392 WeakPolarHBondContact OD1-CE1 3.46Å; D358-K396 IonicContact OD1-NZ 3.97Å; D358-K396 PolarHBondContact OD1-NZ 3.47Å; D358-K396 IonicContact OD2-NZ 2.72Å; D358-K396 PolarHBondContact OD2-NZ 2.85Å
359	L	95.8	Very high	94.4	Very high	107 Å²	107	30.2 Å²	30.2	56%	0.56	18%	0.182	S	C	*	.	H	α-helix	trans	-64.5	-39.5	175.7	-64.2	174.8	0	0	0	111.7	V355 F361 E362 A363	V355-L359 HydrophobicContact CG1-CG 4.44Å; V355-L359 PolarHBondContact O-N 3.45Å; L359-F361 VanDerWaalsContact C-N 3.31Å; L359-F361 PolarHBondContact O-N 2.91Å; L359-E362 PolarHBondContact O-N 2.75Å; L359-A363 WeakPolarHBondContact O-CB 3.1Å; L359-A363 PolarHBondContact O-N 3.11Å
360	A	97.3	Very high	94.6	Very high	24 Å²	24	30 Å²	30	20%	0.198	18%	0.181	C	C	.	.	H	α-helix	trans	-62.2	-37.2	172	0	0	0	0	0	112.4	G356 A363 M364 L457	G356-A360 PolarHBondContact O-N 3.06Å; A360-A363 PolarHBondContact O-N 3.17Å; A360-M364 PolarHBondContact O-N 3.15Å; A360-L457 HydrophobicContact CB-CD2 3.9Å; A360-L457 WeakPolarHBondContact CB-O 3.04Å; A360-L457 WeakPolarHBondContact O-CD2 3.44Å
361	F	97.3	Very high	95	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-70.6	-40.7	176.7	178.5	-113.2	0	0	0	111.9	V357 D358 L359 M364 L365 L388 M389 F392 I409 L447 L449 L457	V357-F361 PolarHBondContact O-N 2.71Å; V357-F361 VanDerWaalsContact O-N 3.11Å; D358-F361 PolarHBondContact O-N 3.01Å; D358-F361 VanDerWaalsContact O-N 3.16Å; L359-F361 VanDerWaalsContact C-N 3.31Å; L359-F361 PolarHBondContact O-N 2.91Å; F361-M364 HydrophobicContact CD2-SD 4.46Å; F361-M364 WeakPolarHBondContact O-CB 3.5Å; F361-M364 PolarHBondContact O-N 2.68Å; F361-L365 HydrophobicContact CD1-CD1 4.08Å; F361-L365 HydrophobicContact CE1-CD1 3.64Å; F361-L365 HydrophobicContact CE1-CG 4.23Å; F361-L365 HydrophobicContact CE2-CD2 4.35Å; F361-L365 HydrophobicContact CE2-CG 4.38Å; F361-L365 HydrophobicContact CZ-CD1 3.95Å; F361-L365 HydrophobicContact CZ-CD2 4.07Å; F361-L365 HydrophobicContact CZ-CG 4.12Å; F361-L365 WeakPolarHBondContact O-CG 3.43Å; F361-L365 PolarHBondContact O-N 3.48Å; F361-L388 HydrophobicContact CE1-CD1 4.43Å; F361-L388 HydrophobicContact CE1-CG 4.46Å; F361-L388 HydrophobicContact CZ-CD1 4.47Å; F361-M389 HydrophobicContact CD1-CE 4.32Å; F361-M389 HydrophobicContact CD1-SD 4.11Å; F361-M389 HydrophobicContact CE1-SD 4.36Å; F361-F392 HydrophobicContact CB-CD1 4.02Å; F361-F392 HydrophobicContact CB-CD2 4.26Å; F361-F392 HydrophobicContact CB-CE1 3.59Å; F361-F392 HydrophobicContact CB-CE2 3.86Å; F361-F392 HydrophobicContact CB-CG 4.33Å; F361-F392 HydrophobicContact CB-CZ 3.5Å; F361-F392 HydrophobicContact CD1-CB 3.82Å; F361-F392 AromaticContact CD1-CD1 3.68Å; F361-F392 HydrophobicContact CD1-CD1 3.68Å; F361-F392 AromaticContact CD1-CD2 3.73Å; F361-F392 HydrophobicContact CD1-CD2 3.73Å; F361-F392 HydrophobicContact CD1-CE1 4.17Å; F361-F392 HydrophobicContact CD1-CE2 4.22Å; F361-F392 AromaticContact CD1-CG 3.43Å; F361-F392 HydrophobicContact CD1-CG 3.43Å; F361-F392 VanDerWaalsContact CD1-CG 3.43Å; F361-F392 HydrophobicContact CD1-CZ 4.41Å; F361-F392 AromaticContact CD2-CD2 3.74Å; F361-F392 HydrophobicContact CD2-CD2 3.74Å; F361-F392 AromaticContact CD2-CE2 3.7Å; F361-F392 HydrophobicContact CD2-CE2 3.7Å; F361-F392 HydrophobicContact CD2-CG 4.31Å; F361-F392 HydrophobicContact CD2-CZ 4.26Å; F361-F392 HydrophobicContact CE1-CB 3.61Å; F361-F392 HydrophobicContact CE1-CD1 4.37Å; F361-F392 AromaticContact CE1-CD2 3.94Å; F361-F392 HydrophobicContact CE1-CD2 3.94Å; F361-F392 AromaticContact CE1-CG 3.7Å; F361-F392 HydrophobicContact CE1-CG 3.7Å; F361-F392 AromaticContact CE2-CD2 3.95Å; F361-F392 HydrophobicContact CE2-CD2 3.95Å; F361-F392 HydrophobicContact CE2-CE2 4.3Å; F361-F392 AromaticContact CG-CD1 3.93Å; F361-F392 HydrophobicContact CG-CD1 3.93Å; F361-F392 AromaticContact CG-CD2 3.62Å; F361-F392 HydrophobicContact CG-CD2 3.62Å; F361-F392 AromaticContact CG-CE1 3.96Å; F361-F392 HydrophobicContact CG-CE1 3.96Å; F361-F392 AromaticContact CG-CE2 3.65Å; F361-F392 HydrophobicContact CG-CE2 3.65Å; F361-F392 AromaticContact CG-CG 3.76Å; F361-F392 HydrophobicContact CG-CG 3.76Å; F361-F392 AromaticContact CG-CZ 3.82Å; F361-F392 HydrophobicContact CG-CZ 3.82Å; F361-F392 HydrophobicContact CZ-CB 4.23Å; F361-F392 HydrophobicContact CZ-CD2 4.05Å; F361-F392 HydrophobicContact CZ-CG 4.26Å; F361-I409 HydrophobicContact CD2-CD1 4.5Å; F361-I409 HydrophobicContact CE2-CD1 3.62Å; F361-I409 HydrophobicContact CZ-CD1 3.78Å; F361-L447 HydrophobicContact CE2-CD2 4.19Å; F361-L447 HydrophobicContact CZ-CD2 4.34Å; F361-L449 HydrophobicContact CD2-CD2 4.48Å; F361-L449 HydrophobicContact CE2-CD2 4.35Å; F361-L457 HydrophobicContact CB-CD1 4.32Å; F361-L457 HydrophobicContact CB-CD2 4.12Å; F361-L457 HydrophobicContact CD2-CD1 4.04Å
362	E	96.8	Very high	95.2	Very high	39 Å²	39	36.6 Å²	36.6	18%	0.182	21%	0.206	C	C	.	.	H	α-helix	trans	-59.9	-45.1	171.6	-179.6	172.1	150.2	0	0	111.9	D358 L359 M364 L365 C366 K378 W385	D358-E362 PolarHBondContact O-N 3.25Å; L359-E362 PolarHBondContact O-N 2.75Å; E362-M364 VanDerWaalsContact C-N 3.31Å; E362-M364 PolarHBondContact O-N 3.02Å; E362-L365 WeakPolarHBondContact O-CB 3.36Å; E362-L365 PolarHBondContact O-N 3.15Å; E362-C366 PolarHBondContact O-N 3.38Å; E362-C366 PolarHBondContact O-SG 3.38Å; E362-K378 IonicContact OE1-NZ 3.43Å; E362-K378 PolarHBondContact OE1-NZ 2.84Å; E362-K378 IonicContact OE2-NZ 3.94Å; E362-K378 PolarHBondContact OE2-NZ 2.98Å; E362-W385 HydrophobicContact CB-CH2 4.34Å; E362-W385 HydrophobicContact CB-CZ2 4.47Å; E362-W385 HydrophobicContact CG-CH2 3.97Å; E362-W385 HydrophobicContact CG-CZ2 4.17Å; E362-W385 WeakPolarHBondContact OE2-CZ2 3.34Å
363	A	96.8	Very high	95.6	Very high	59 Å²	59	33.8 Å²	33.8	49%	0.488	20%	0.195	S	C	.	.	H	α-helix	trans	-59.9	-40.2	176.7	0	0	0	0	0	112.3	L359 A360 C366 Q367	L359-A363 WeakPolarHBondContact O-CB 3.1Å; L359-A363 PolarHBondContact O-N 3.11Å; A360-A363 PolarHBondContact O-N 3.17Å; A363-C366 PolarHBondContact O-N 2.91Å; A363-Q367 WeakPolarHBondContact O-CB 3.42Å; A363-Q367 PolarHBondContact O-N 2.86Å
364	M	96.1	Very high	95.7	Very high	8 Å²	8	33.7 Å²	33.7	4%	0.039	20%	0.195	C	C	.	.	H	α-helix	trans	-61.2	-42.6	171.9	175.2	-174.6	-72.5	0	0	111.9	A360 F361 E362 Q367 I368 M436 V439 L449 A453 L457	A360-M364 PolarHBondContact O-N 3.15Å; F361-M364 HydrophobicContact CD2-SD 4.46Å; F361-M364 WeakPolarHBondContact O-CB 3.5Å; F361-M364 PolarHBondContact O-N 2.68Å; E362-M364 VanDerWaalsContact C-N 3.31Å; E362-M364 PolarHBondContact O-N 3.02Å; M364-Q367 PolarHBondContact O-N 3.18Å; M364-I368 HydrophobicContact CG-CD1 3.85Å; M364-I368 WeakPolarHBondContact O-CD1 3.3Å; M364-I368 VanDerWaalsContact O-CG1 3.29Å; M364-I368 WeakPolarHBondContact O-CG1 3.38Å; M364-I368 PolarHBondContact O-N 3.42Å; M364-I368 VanDerWaalsContact O-N 3.08Å; M364-M436 HydrophobicContact CE-CE 3.97Å; M364-M436 HydrophobicContact CG-CE 3.93Å; M364-M436 HydrophobicContact CG-SD 4.06Å; M364-V439 HydrophobicContact CE-CG2 4.28Å; M364-V439 HydrophobicContact SD-CG2 3.82Å; M364-L449 HydrophobicContact SD-CD2 4.23Å; M364-A453 HydrophobicContact CE-CB 4.26Å; M364-L457 HydrophobicContact CB-CD2 4.32Å; M364-L457 HydrophobicContact CE-CD1 4.18Å; M364-L457 HydrophobicContact CE-CD2 3.61Å; M364-L457 HydrophobicContact CE-CG 3.8Å; M364-L457 HydrophobicContact SD-CD1 4.46Å; M364-L457 HydrophobicContact SD-CD2 4.26Å
365	L	95.8	Very high	95.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.9	-42.1	175.3	-66.7	174.2	0	0	0	111.8	F361 E362 Q367 I368 F369 I374 W385 L388 L447	F361-L365 HydrophobicContact CD1-CD1 4.08Å; F361-L365 HydrophobicContact CE1-CD1 3.64Å; F361-L365 HydrophobicContact CE1-CG 4.23Å; F361-L365 HydrophobicContact CE2-CD2 4.35Å; F361-L365 HydrophobicContact CE2-CG 4.38Å; F361-L365 HydrophobicContact CZ-CD1 3.95Å; F361-L365 HydrophobicContact CZ-CD2 4.07Å; F361-L365 HydrophobicContact CZ-CG 4.12Å; F361-L365 WeakPolarHBondContact O-CG 3.43Å; F361-L365 PolarHBondContact O-N 3.48Å; E362-L365 WeakPolarHBondContact O-CB 3.36Å; E362-L365 PolarHBondContact O-N 3.15Å; L365-Q367 VanDerWaalsContact C-N 3.33Å; L365-Q367 PolarHBondContact O-N 3.46Å; L365-I368 PolarHBondContact O-N 3.29Å; L365-F369 HydrophobicContact CB-CD2 4.37Å; L365-F369 HydrophobicContact CD2-CD2 4.09Å; L365-F369 HydrophobicContact CD2-CE2 3.72Å; L365-F369 WeakPolarHBondContact O-CB 3.5Å; L365-F369 WeakPolarHBondContact O-CD2 3.33Å; L365-F369 PolarHBondContact O-N 3.47Å; L365-I374 HydrophobicContact CB-CD1 3.95Å; L365-I374 HydrophobicContact CB-CG1 4.44Å; L365-W385 HydrophobicContact CD1-CH2 3.92Å; L365-W385 HydrophobicContact CD1-CZ3 3.95Å; L365-L388 HydrophobicContact CD1-CD2 3.77Å; L365-L388 HydrophobicContact CD1-CG 4.45Å; L365-L447 HydrophobicContact CD2-CD2 4.23Å
366	C	95.8	Very high	95.6	Very high	23 Å²	23	37.5 Å²	37.5	16%	0.155	21%	0.212	C	C	.	.	H	α-helix	trans	-60.6	-40.5	173.7	-70.1	0	0	0	0	111.9	E362 A363 I368 G370 E371	E362-C366 PolarHBondContact O-N 3.38Å; E362-C366 PolarHBondContact O-SG 3.38Å; A363-C366 PolarHBondContact O-N 2.91Å; C366-I368 VanDerWaalsContact C-N 3.34Å; C366-I368 PolarHBondContact O-N 3.23Å; C366-G370 CarbonylContact O-C 3.55Å; C366-G370 WeakPolarHBondContact O-CA 3.39Å; C366-G370 PolarHBondContact O-N 3.13Å; C366-E371 HydrophobicContact CB-CB 4.32Å
367	Q	94	Very high	95.4	Very high	133 Å²	133	36.5 Å²	36.5	62%	0.621	20%	0.201	S	C	*	.	H	α-helix	trans	-65.3	-34	176.7	-172.4	177.9	6.3	0	0	113.1	A363 M364 L365 M436	A363-Q367 WeakPolarHBondContact O-CB 3.42Å; A363-Q367 PolarHBondContact O-N 2.86Å; M364-Q367 PolarHBondContact O-N 3.18Å; L365-Q367 VanDerWaalsContact C-N 3.33Å; L365-Q367 PolarHBondContact O-N 3.46Å; Q367-M436 HydrophobicContact CB-SD 4.44Å; Q367-M436 HydrophobicContact CG-SD 4.2Å
368	I	93.8	Very high	95.1	Very high	11 Å²	11	38.4 Å²	38.4	6%	0.056	21%	0.209	C	C	.	.	H	α-helix	trans	-84.3	-40.6	-178.5	-64.6	164.2	0	0	0	112.1	M364 L365 C366 L431 M436 V439	M364-I368 HydrophobicContact CG-CD1 3.85Å; M364-I368 WeakPolarHBondContact O-CD1 3.3Å; M364-I368 VanDerWaalsContact O-CG1 3.29Å; M364-I368 WeakPolarHBondContact O-CG1 3.38Å; M364-I368 PolarHBondContact O-N 3.42Å; M364-I368 VanDerWaalsContact O-N 3.08Å; L365-I368 PolarHBondContact O-N 3.29Å; C366-I368 VanDerWaalsContact C-N 3.34Å; C366-I368 PolarHBondContact O-N 3.23Å; I368-L431 HydrophobicContact CD1-CD2 3.98Å; I368-L431 HydrophobicContact CG1-CD2 4.44Å; I368-L431 HydrophobicContact CG2-CD2 3.67Å; I368-L431 HydrophobicContact CG2-CG 4.08Å; I368-M436 HydrophobicContact CD1-SD 3.96Å; I368-M436 HydrophobicContact CG1-CG 4.48Å; I368-M436 HydrophobicContact CG1-SD 3.7Å; I368-V439 HydrophobicContact CD1-CB 4.42Å; I368-V439 HydrophobicContact CD1-CG1 4.24Å; I368-V439 HydrophobicContact CD1-CG2 4.45Å
369	F	94.4	Very high	94.7	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-109.4	-13.6	-168.9	-59.3	-65	0	0	0	114.5	L365 F373 I374 L411 F415 Y419 R423 V427 A430	L365-F369 HydrophobicContact CB-CD2 4.37Å; L365-F369 HydrophobicContact CD2-CD2 4.09Å; L365-F369 HydrophobicContact CD2-CE2 3.72Å; L365-F369 WeakPolarHBondContact O-CB 3.5Å; L365-F369 WeakPolarHBondContact O-CD2 3.33Å; L365-F369 PolarHBondContact O-N 3.47Å; F369-F373 HydrophobicContact CB-CD1 3.74Å; F369-F373 HydrophobicContact CB-CE1 4.28Å; F369-F373 WeakPolarHBondContact O-CB 3.48Å; F369-I374 HydrophobicContact CB-CD1 4.29Å; F369-I374 HydrophobicContact CD2-CD1 4.46Å; F369-L411 HydrophobicContact CZ-CD1 4.47Å; F369-F415 HydrophobicContact CD1-CE1 4.4Å; F369-F415 HydrophobicContact CD2-CE1 4.13Å; F369-F415 AromaticContact CD2-CZ 3.69Å; F369-F415 HydrophobicContact CD2-CZ 3.69Å; F369-F415 HydrophobicContact CE1-CE1 4.25Å; F369-F415 AromaticContact CE2-CE1 3.97Å; F369-F415 HydrophobicContact CE2-CE1 3.97Å; F369-F415 AromaticContact CE2-CZ 3.84Å; F369-F415 HydrophobicContact CE2-CZ 3.84Å; F369-F415 HydrophobicContact CG-CE1 4.35Å; F369-F415 HydrophobicContact CG-CZ 4.09Å; F369-F415 HydrophobicContact CZ-CE1 4.03Å; F369-F415 HydrophobicContact CZ-CZ 4.37Å; F369-Y419 HydrophobicContact CB-CD2 4.23Å; F369-Y419 HydrophobicContact CB-CE2 3.76Å; F369-Y419 AromaticContact CD1-CD2 3.87Å; F369-Y419 HydrophobicContact CD1-CD2 3.87Å; F369-Y419 HydrophobicContact CD1-CE1 4.32Å; F369-Y419 AromaticContact CD1-CE2 3.52Å; F369-Y419 HydrophobicContact CD1-CE2 3.52Å; F369-Y419 HydrophobicContact CD1-CG 4.42Å; F369-Y419 AromaticContact CD1-CZ 3.78Å; F369-Y419 HydrophobicContact CG-CD2 4.39Å; F369-Y419 HydrophobicContact CG-CE2 4.09Å; F369-R423 PolarHBondContact O-NH2 2.94Å; F369-V427 HydrophobicContact CE1-CB 4.32Å; F369-V427 HydrophobicContact CE1-CG1 3.86Å; F369-V427 HydrophobicContact CE1-CG2 4.18Å; F369-V427 HydrophobicContact CZ-CG1 3.9Å; F369-A430 HydrophobicContact CD1-CB 4.05Å; F369-A430 HydrophobicContact CE1-CB 4.03Å
370	G	94.4	Very high	94.4	Very high	20 Å²	20	41.4 Å²	41.4	21%	0.206	23%	0.231	C	C	.	.			trans	91.8	135.6	-172.8	0	0	0	0	0	111.8	C366 D372 F373 I374	C366-G370 CarbonylContact O-C 3.55Å; C366-G370 WeakPolarHBondContact O-CA 3.39Å; C366-G370 PolarHBondContact O-N 3.13Å; G370-D372 PolarHBondContact O-N 3.12Å; G370-F373 WeakPolarHBondContact O-CB 3.32Å; G370-F373 PolarHBondContact O-N 3.01Å; G370-I374 PolarHBondContact O-N 3.19Å; G370-I374 VanDerWaalsContact O-N 3.13Å
371	E	95.7	Very high	94	Very high	129 Å²	129	44.4 Å²	44.4	60%	0.603	24%	0.237	S	C	*	.	H	α-helix	trans	-60.7	-43.6	-179.4	180	171.6	-153.4	0	0	112.3	C366 F373 I374 Q375	C366-E371 HydrophobicContact CB-CB 4.32Å; E371-F373 PolarHBondContact O-N 2.84Å; E371-I374 PolarHBondContact O-N 2.57Å; E371-I374 VanDerWaalsContact O-N 3.07Å; E371-Q375 HydrophobicContact CG-CG 4.34Å; E371-Q375 WeakPolarHBondContact O-CG 3.42Å; E371-Q375 PolarHBondContact O-N 3.42Å
372	D	95.4	Very high	93.6	Very high	91 Å²	91	44.5 Å²	44.5	49%	0.487	24%	0.238	S	C	.	.	H	α-helix	trans	-56.2	-37	174.9	64.3	-51.2	0	0	0	112.6	G370 S376 R423	G370-D372 PolarHBondContact O-N 3.12Å; D372-S376 WeakPolarHBondContact O-CB 3.45Å; D372-S376 PolarHBondContact O-N 2.95Å; D372-S376 VanDerWaalsContact O-N 3.1Å; D372-R423 VanDerWaalsContact CG-NH2 3.26Å; D372-R423 IonicContact OD1-CZ 3.74Å; D372-R423 IonicContact OD1-NH1 3.44Å; D372-R423 IonicContact OD1-NH2 3.97Å; D372-R423 PolarHBondContact OD1-NH2 2.86Å; D372-R423 IonicContact OD2-CZ 2.7Å; D372-R423 VanDerWaalsContact OD2-CZ 3.29Å; D372-R423 IonicContact OD2-NH1 3.63Å; D372-R423 PolarHBondContact OD2-NH1 3.39Å; D372-R423 IonicContact OD2-NH2 2.72Å; D372-R423 PolarHBondContact OD2-NH2 2.97Å; D372-R423 VanDerWaalsContact OD2-NH2 3.11Å
373	F	95.8	Very high	93.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-69.5	-46.1	173.7	170.2	-93.2	0	0	0	112	F369 G370 E371 S376 F377 F415 F418 Y419 H422	F369-F373 HydrophobicContact CB-CD1 3.74Å; F369-F373 HydrophobicContact CB-CE1 4.28Å; F369-F373 WeakPolarHBondContact O-CB 3.48Å; G370-F373 WeakPolarHBondContact O-CB 3.32Å; G370-F373 PolarHBondContact O-N 3.01Å; E371-F373 PolarHBondContact O-N 2.84Å; F373-S376 PolarHBondContact O-N 3.07Å; F373-F377 HydrophobicContact CE1-CB 4.3Å; F373-F377 HydrophobicContact CZ-CB 4.21Å; F373-F377 WeakPolarHBondContact O-CB 3.23Å; F373-F377 PolarHBondContact O-N 2.94Å; F373-F415 HydrophobicContact CE1-CD2 4.47Å; F373-F415 HydrophobicContact CE1-CE1 4.16Å; F373-F415 AromaticContact CE1-CE2 3.85Å; F373-F415 HydrophobicContact CE1-CE2 3.85Å; F373-F415 AromaticContact CE1-CZ 3.68Å; F373-F415 HydrophobicContact CE1-CZ 3.68Å; F373-F415 HydrophobicContact CZ-CZ 4.43Å; F373-F418 HydrophobicContact CD2-CD1 4.27Å; F373-F418 HydrophobicContact CD2-CE1 4.21Å; F373-F418 AromaticContact CE2-CD1 3.33Å; F373-F418 HydrophobicContact CE2-CD1 3.33Å; F373-F418 AromaticContact CE2-CE1 3.7Å; F373-F418 HydrophobicContact CE2-CE1 3.7Å; F373-F418 HydrophobicContact CE2-CG 4.41Å; F373-F418 AromaticContact CZ-CD1 3.78Å; F373-F418 HydrophobicContact CZ-CD1 3.78Å; F373-F418 HydrophobicContact CZ-CE1 4.38Å; F373-Y419 AromaticContact CD1-CD2 3.81Å; F373-Y419 HydrophobicContact CD1-CD2 3.81Å; F373-Y419 HydrophobicContact CD1-CE2 4.27Å; F373-Y419 AromaticContact CD2-CD2 3.79Å; F373-Y419 HydrophobicContact CD2-CD2 3.79Å; F373-Y419 HydrophobicContact CD2-CE2 4.44Å; F373-Y419 AromaticContact CE1-CD2 3.68Å; F373-Y419 HydrophobicContact CE1-CD2 3.68Å; F373-Y419 VanDerWaalsContact CE2-CA 3.43Å; F373-Y419 AromaticContact CE2-CD2 3.64Å; F373-Y419 HydrophobicContact CE2-CD2 3.64Å; F373-Y419 HydrophobicContact CE2-CG 4.22Å; F373-Y419 AromaticContact CG-CD2 3.88Å; F373-Y419 HydrophobicContact CG-CD2 3.88Å; F373-Y419 HydrophobicContact CG-CE2 4.23Å; F373-Y419 AromaticContact CZ-CD2 3.6Å; F373-Y419 HydrophobicContact CZ-CD2 3.6Å; F373-Y419 HydrophobicContact CZ-CG 4.13Å; F373-H422 HydrophobicContact CD2-CB 4.33Å; F373-H422 AromaticContact CD2-CD2 3.91Å; F373-H422 HydrophobicContact CE2-CB 4.43Å
374	I	96.1	Very high	93	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.6	-43.5	-178.2	-64.8	-63.5	0	0	0	110.9	L365 F369 G370 E371 F377 K378 W385 F415	L365-I374 HydrophobicContact CB-CD1 3.95Å; L365-I374 HydrophobicContact CB-CG1 4.44Å; F369-I374 HydrophobicContact CB-CD1 4.29Å; F369-I374 HydrophobicContact CD2-CD1 4.46Å; G370-I374 PolarHBondContact O-N 3.19Å; G370-I374 VanDerWaalsContact O-N 3.13Å; E371-I374 PolarHBondContact O-N 2.57Å; E371-I374 VanDerWaalsContact O-N 3.07Å; I374-F377 PolarHBondContact O-N 3.19Å; I374-K378 HydrophobicContact CG2-CD 4.36Å; I374-K378 WeakPolarHBondContact O-CG 3.18Å; I374-K378 PolarHBondContact O-N 3.4Å; I374-W385 HydrophobicContact CG2-CH2 4.19Å; I374-W385 HydrophobicContact CG2-CZ3 4.02Å; I374-F415 HydrophobicContact CD1-CE2 4Å; I374-F415 HydrophobicContact CD1-CZ 4.11Å
375	Q	93.5	Very high	92.8	Very high	88 Å²	88	41.6 Å²	41.6	41%	0.411	22%	0.217	S	C	.	.	H	α-helix	trans	-64.9	-42.4	175.6	-58.6	-57.6	-10.1	0	0	112	E371 F377 K378 A379	E371-Q375 HydrophobicContact CG-CG 4.34Å; E371-Q375 WeakPolarHBondContact O-CG 3.42Å; E371-Q375 PolarHBondContact O-N 3.42Å; Q375-F377 VanDerWaalsContact C-N 3.33Å; Q375-F377 PolarHBondContact O-N 3.02Å; Q375-K378 PolarHBondContact O-N 2.88Å; Q375-A379 PolarHBondContact O-N 3.41Å
376	S	93.3	Very high	92.5	Very high	24 Å²	24	42.2 Å²	42.2	17%	0.168	22%	0.22	C	C	.	.	H	α-helix	trans	-61.7	-38	174.9	-177.3	0	0	0	0	112.5	D372 F373 K380	D372-S376 WeakPolarHBondContact O-CB 3.45Å; D372-S376 PolarHBondContact O-N 2.95Å; D372-S376 VanDerWaalsContact O-N 3.1Å; F373-S376 PolarHBondContact O-N 3.07Å; S376-K380 WeakPolarHBondContact O-CB 3.5Å; S376-K380 WeakPolarHBondContact O-CG 3.16Å; S376-K380 PolarHBondContact O-N 3.23Å; S376-K380 VanDerWaalsContact O-N 3.14Å
377	F	93.1	Very high	92.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-69	-47.5	176.1	179.6	-102.8	0	0	0	111.9	F373 I374 Q375 A379 K380 R381 A384 W385 F415 F418	F373-F377 HydrophobicContact CE1-CB 4.3Å; F373-F377 HydrophobicContact CZ-CB 4.21Å; F373-F377 WeakPolarHBondContact O-CB 3.23Å; F373-F377 PolarHBondContact O-N 2.94Å; I374-F377 PolarHBondContact O-N 3.19Å; Q375-F377 VanDerWaalsContact C-N 3.33Å; Q375-F377 PolarHBondContact O-N 3.02Å; F377-A379 VanDerWaalsContact C-N 3.35Å; F377-A379 PolarHBondContact O-N 3.47Å; F377-K380 PolarHBondContact O-N 3.23Å; F377-R381 HydrophobicContact CD2-CB 3.95Å; F377-R381 HydrophobicContact CD2-CG 4.31Å; F377-R381 HydrophobicContact CE2-CB 3.65Å; F377-R381 HydrophobicContact CE2-CG 4.12Å; F377-R381 HydrophobicContact CZ-CB 4.1Å; F377-R381 CarbonylContact O-C 3.54Å; F377-R381 WeakPolarHBondContact O-CA 3.25Å; F377-R381 PolarHBondContact O-N 3.37Å; F377-A384 HydrophobicContact CE1-CB 4.39Å; F377-A384 HydrophobicContact CE2-CB 4.37Å; F377-A384 HydrophobicContact CZ-CB 3.62Å; F377-W385 HydrophobicContact CD1-CB 4.39Å; F377-W385 HydrophobicContact CD1-CE3 4.09Å; F377-W385 HydrophobicContact CE1-CB 4.08Å; F377-W385 HydrophobicContact CE1-CE3 4.27Å; F377-F415 AromaticContact CD1-CD2 3.86Å; F377-F415 HydrophobicContact CD1-CD2 3.86Å; F377-F415 HydrophobicContact CD1-CE2 4.29Å; F377-F415 HydrophobicContact CD2-CD2 4.41Å; F377-F415 HydrophobicContact CE1-CB 4.45Å; F377-F415 AromaticContact CE1-CD2 3.61Å; F377-F415 HydrophobicContact CE1-CD2 3.61Å; F377-F415 HydrophobicContact CE1-CE2 4.41Å; F377-F415 HydrophobicContact CE1-CG 4.5Å; F377-F415 HydrophobicContact CE2-CB 3.97Å; F377-F415 HydrophobicContact CE2-CD2 4.18Å; F377-F415 HydrophobicContact CE2-CG 4.44Å; F377-F415 HydrophobicContact CG-CD2 4.25Å; F377-F415 HydrophobicContact CZ-CB 3.76Å; F377-F415 AromaticContact CZ-CD2 3.77Å; F377-F415 HydrophobicContact CZ-CD2 3.77Å; F377-F415 HydrophobicContact CZ-CG 4.23Å; F377-F418 HydrophobicContact CB-CD1 4.07Å; F377-F418 HydrophobicContact CB-CE1 3.98Å; F377-F418 HydrophobicContact CD2-CB 4.26Å; F377-F418 AromaticContact CD2-CD1 3.6Å; F377-F418 HydrophobicContact CD2-CD1 3.6Å; F377-F418 HydrophobicContact CD2-CE1 4.24Å; F377-F418 HydrophobicContact CD2-CG 4.13Å; F377-F418 HydrophobicContact CE2-CB 4.49Å; F377-F418 HydrophobicContact CG-CD1 4.32Å
378	K	90.7	Very high	92.2	Very high	40 Å²	40	36.3 Å²	36.3	17%	0.174	19%	0.192	C	C	.	.	H	α-helix	trans	-52.3	-51.3	174.6	-78.3	175.9	163.6	-166.7	0	111.8	E362 I374 Q375 K380 P382 W385	E362-K378 IonicContact OE1-NZ 3.43Å; E362-K378 PolarHBondContact OE1-NZ 2.84Å; E362-K378 IonicContact OE2-NZ 3.94Å; E362-K378 PolarHBondContact OE2-NZ 2.98Å; I374-K378 HydrophobicContact CG2-CD 4.36Å; I374-K378 WeakPolarHBondContact O-CG 3.18Å; I374-K378 PolarHBondContact O-N 3.4Å; Q375-K378 PolarHBondContact O-N 2.88Å; K378-K380 PolarHBondContact O-N 3.13Å; K378-P382 WeakPolarHBondContact O-CA 3.1Å; K378-W385 HydrophobicContact CD-CD2 4.41Å; K378-W385 HydrophobicContact CG-CB 4.37Å; K378-W385 HydrophobicContact CG-CD2 3.73Å; K378-W385 HydrophobicContact CG-CE3 4.09Å; K378-W385 HydrophobicContact CG-CG 3.81Å
379	A	87.6	Confident	92.2	Very high	69 Å²	69	37 Å²	37	57%	0.57	20%	0.195	S	C	*	.	H	α-helix	trans	-66	-38.2	-177.9	0	0	0	0	0	113.5	Q375 F377	Q375-A379 PolarHBondContact O-N 3.41Å; F377-A379 VanDerWaalsContact C-N 3.35Å; F377-A379 PolarHBondContact O-N 3.47Å
380	K	88.7	Confident	92	Very high	108 Å²	108	38.7 Å²	38.7	47%	0.47	20%	0.204	S	C	.	.	H	α-helix	trans	-93.8	-24.1	-173.6	-66.4	179.5	-178.2	176.6	0	114.5	Q135 S376 F377 K378 P382 F418	Q135-K380 PolarHBondContact NE2-O 2.99Å; Q135-K380 VanDerWaalsContact NE2-O 3.09Å; S376-K380 WeakPolarHBondContact O-CB 3.5Å; S376-K380 WeakPolarHBondContact O-CG 3.16Å; S376-K380 PolarHBondContact O-N 3.23Å; S376-K380 VanDerWaalsContact O-N 3.14Å; F377-K380 PolarHBondContact O-N 3.23Å; K378-K380 PolarHBondContact O-N 3.13Å; K380-P382 VanDerWaalsContact C-CD 3.48Å; K380-F418 HydrophobicContact CD-CE2 4.14Å; K380-F418 HydrophobicContact CD-CZ 3.98Å
381	R	89.6	Confident	91.9	Very high	87 Å²	87	38.9 Å²	38.9	33%	0.328	20%	0.203	S	C	.	.			trans	-136	58	-176.8	-62.5	-62.1	-178.7	-143.7	9.9	111	F377 A383 A384 W385	F377-R381 HydrophobicContact CD2-CB 3.95Å; F377-R381 HydrophobicContact CD2-CG 4.31Å; F377-R381 HydrophobicContact CE2-CB 3.65Å; F377-R381 HydrophobicContact CE2-CG 4.12Å; F377-R381 HydrophobicContact CZ-CB 4.1Å; F377-R381 CarbonylContact O-C 3.54Å; F377-R381 WeakPolarHBondContact O-CA 3.25Å; F377-R381 PolarHBondContact O-N 3.37Å; R381-A383 PolarHBondContact O-N 3.43Å; R381-A384 HydrophobicContact CB-CB 4.27Å; R381-A384 PolarHBondContact O-N 3.06Å; R381-W385 PolarHBondContact O-N 3.29Å; R381-W385 VanDerWaalsContact O-N 3.15Å
382	P	89.3	Confident	91.8	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.013	17%	0.174	C	C	.	.	H	α-helix	trans	-61.1	-42.4	-172.7	24.4	-35.5	0	0	0	114	Y126 V162 K378 K380 A384 W385 V386	Y126-P382 WeakPolarHBondContact OH-CB 3.49Å; Y126-P382 WeakPolarHBondContact OH-CG 3.17Å; V162-P382 HydrophobicContact CB-CB 4.42Å; V162-P382 HydrophobicContact CG1-CB 3.58Å; K378-P382 WeakPolarHBondContact O-CA 3.1Å; K380-P382 VanDerWaalsContact C-CD 3.48Å; P382-A384 PolarHBondContact O-N 3.26Å; P382-W385 WeakPolarHBondContact O-CB 3.13Å; P382-W385 PolarHBondContact O-N 3.01Å; P382-W385 VanDerWaalsContact O-N 3.1Å; P382-V386 PolarHBondContact O-N 3.49Å; P382-V386 VanDerWaalsContact O-N 3.11Å
383	A	89.6	Confident	91.7	Very high	13 Å²	13	31 Å²	31	11%	0.107	16%	0.163	C	C	.	.	H	α-helix	trans	-57.8	-45.7	175.5	0	0	0	0	0	112.3	Y126 A134 R381 W385 V386 D387	Y126-A383 HydrophobicContact CD1-CB 4.23Å; Y126-A383 HydrophobicContact CE1-CB 3.93Å; A134-A383 HydrophobicContact CB-CB 4.34Å; R381-A383 PolarHBondContact O-N 3.43Å; A383-W385 VanDerWaalsContact C-N 3.26Å; A383-W385 PolarHBondContact O-N 3.2Å; A383-V386 WeakPolarHBondContact O-CA 3.4Å; A383-V386 WeakPolarHBondContact O-CB 3.41Å; A383-V386 PolarHBondContact O-N 2.8Å; A383-D387 PolarHBondContact O-N 3.05Å
384	A	90.7	Very high	91.4	Very high	9 Å²	9	33.4 Å²	33.4	7%	0.074	18%	0.183	C	C	.	.	H	α-helix	trans	-68.5	-21.8	177.4	0	0	0	0	0	113.9	F377 R381 P382 L388 P412 S414	F377-A384 HydrophobicContact CE1-CB 4.39Å; F377-A384 HydrophobicContact CE2-CB 4.37Å; F377-A384 HydrophobicContact CZ-CB 3.62Å; R381-A384 HydrophobicContact CB-CB 4.27Å; R381-A384 PolarHBondContact O-N 3.06Å; P382-A384 PolarHBondContact O-N 3.26Å; A384-L388 PolarHBondContact O-N 3.1Å; A384-P412 HydrophobicContact CB-CB 4.33Å; A384-P412 WeakPolarHBondContact O-CG 3.46Å; A384-S414 WeakPolarHBondContact CB-OG 3.46Å
385	W	91.9	Very high	91.2	Very high	23 Å²	23	38.2 Å²	38.2	9%	0.087	20%	0.201	C	C	.	.	H	α-helix	trans	-70.4	-42.9	167.7	175.9	-101.5	0	0	0	111.4	E362 L365 I374 F377 K378 R381 P382 A383 D387 L388 M389	E362-W385 HydrophobicContact CB-CH2 4.34Å; E362-W385 HydrophobicContact CB-CZ2 4.47Å; E362-W385 HydrophobicContact CG-CH2 3.97Å; E362-W385 HydrophobicContact CG-CZ2 4.17Å; E362-W385 WeakPolarHBondContact OE2-CZ2 3.34Å; L365-W385 HydrophobicContact CD1-CH2 3.92Å; L365-W385 HydrophobicContact CD1-CZ3 3.95Å; I374-W385 HydrophobicContact CG2-CH2 4.19Å; I374-W385 HydrophobicContact CG2-CZ3 4.02Å; F377-W385 HydrophobicContact CD1-CB 4.39Å; F377-W385 HydrophobicContact CD1-CE3 4.09Å; F377-W385 HydrophobicContact CE1-CB 4.08Å; F377-W385 HydrophobicContact CE1-CE3 4.27Å; K378-W385 HydrophobicContact CD-CD2 4.41Å; K378-W385 HydrophobicContact CG-CB 4.37Å; K378-W385 HydrophobicContact CG-CD2 3.73Å; K378-W385 HydrophobicContact CG-CE3 4.09Å; K378-W385 HydrophobicContact CG-CG 3.81Å; R381-W385 PolarHBondContact O-N 3.29Å; R381-W385 VanDerWaalsContact O-N 3.15Å; P382-W385 WeakPolarHBondContact O-CB 3.13Å; P382-W385 PolarHBondContact O-N 3.01Å; P382-W385 VanDerWaalsContact O-N 3.1Å; A383-W385 VanDerWaalsContact C-N 3.26Å; A383-W385 PolarHBondContact O-N 3.2Å; W385-D387 VanDerWaalsContact C-N 3.3Å; W385-D387 PolarHBondContact O-N 3.21Å; W385-L388 HydrophobicContact CE3-CD2 4.19Å; W385-L388 HydrophobicContact CZ3-CD2 3.98Å; W385-L388 PolarHBondContact O-N 3.3Å; W385-M389 HydrophobicContact CD2-CG 4.38Å; W385-M389 HydrophobicContact CH2-SD 4.01Å; W385-M389 HydrophobicContact CZ2-CG 3.88Å; W385-M389 HydrophobicContact CZ2-SD 3.57Å; W385-M389 VanDerWaalsContact CZ2-SD 3.57Å; W385-M389 WeakPolarHBondContact O-CG 3.34Å; W385-M389 PolarHBondContact O-N 3.06Å; W385-M389 VanDerWaalsContact O-N 3.11Å
386	V	89.9	Confident	91.1	Very high	13 Å²	13	34.4 Å²	34.4	8%	0.079	18%	0.184	C	C	.	.	H	α-helix	trans	-58	-43.8	174.6	174.1	0	0	0	0	110.4	R123 Y126 Y139 V162 P382 A383 L388 M389 I390	R123-V386 HydrophobicContact CG-CG1 4.5Å; Y126-V386 HydrophobicContact CE1-CG2 4.27Å; Y139-V386 HydrophobicContact CD1-CG2 4.04Å; Y139-V386 HydrophobicContact CE1-CG1 4.03Å; Y139-V386 HydrophobicContact CE1-CG2 3.8Å; V162-V386 HydrophobicContact CG1-CG2 4.5Å; P382-V386 PolarHBondContact O-N 3.49Å; P382-V386 VanDerWaalsContact O-N 3.11Å; A383-V386 WeakPolarHBondContact O-CA 3.4Å; A383-V386 WeakPolarHBondContact O-CB 3.41Å; A383-V386 PolarHBondContact O-N 2.8Å; V386-L388 PolarHBondContact O-N 2.85Å; V386-M389 PolarHBondContact O-N 2.81Å; V386-I390 HydrophobicContact CG1-CD1 3.71Å; V386-I390 HydrophobicContact CG1-CG1 4.38Å; V386-I390 WeakPolarHBondContact O-CD1 3.27Å; V386-I390 VanDerWaalsContact O-CG1 3.24Å; V386-I390 WeakPolarHBondContact O-CG1 3.1Å; V386-I390 PolarHBondContact O-N 3.43Å
387	D	89.9	Confident	91	Very high	32 Å²	32	40.3 Å²	40.3	17%	0.171	20%	0.202	C	C	.	.	H	α-helix	trans	-57.7	-43.6	175.7	-62.2	-16.2	0	0	0	114	H127 A383 W385 M389 I390 A391 P412	H127-D387 IonicContact CE1-OD1 2.93Å; H127-D387 IonicContact CE1-OD2 3.28Å; H127-D387 PolarHBondContact CE1-OD2 3.29Å; H127-D387 VanDerWaalsContact CE1-OD2 3.3Å; H127-D387 IonicContact CG-OD1 2.63Å; H127-D387 IonicContact ND1-OD1 2.81Å; H127-D387 PolarHBondContact ND1-OD1 3.25Å; H127-D387 IonicContact ND1-OD2 2.7Å; H127-D387 PolarHBondContact ND1-OD2 3Å; A383-D387 PolarHBondContact O-N 3.05Å; W385-D387 VanDerWaalsContact C-N 3.3Å; W385-D387 PolarHBondContact O-N 3.21Å; D387-M389 VanDerWaalsContact C-N 3.34Å; D387-I390 WeakPolarHBondContact O-CB 3.49Å; D387-I390 PolarHBondContact O-N 3.47Å; D387-A391 WeakPolarHBondContact O-CB 3.41Å; D387-A391 PolarHBondContact O-N 3.48Å; D387-P412 HydrophobicContact CB-CG 3.79Å
388	L	94.1	Very high	90.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.8	-42.6	177.9	176.6	54.8	0	0	0	111	F361 L365 A384 W385 V386 A391 F392 I409 L411 P412 F415	F361-L388 HydrophobicContact CE1-CD1 4.43Å; F361-L388 HydrophobicContact CE1-CG 4.46Å; F361-L388 HydrophobicContact CZ-CD1 4.47Å; L365-L388 HydrophobicContact CD1-CD2 3.77Å; L365-L388 HydrophobicContact CD1-CG 4.45Å; A384-L388 PolarHBondContact O-N 3.1Å; W385-L388 HydrophobicContact CE3-CD2 4.19Å; W385-L388 HydrophobicContact CZ3-CD2 3.98Å; W385-L388 PolarHBondContact O-N 3.3Å; V386-L388 PolarHBondContact O-N 2.85Å; L388-A391 PolarHBondContact O-N 3.42Å; L388-F392 PolarHBondContact O-N 3.31Å; L388-I409 HydrophobicContact CD1-CG2 4.22Å; L388-L411 HydrophobicContact CD1-CD2 3.43Å; L388-L411 VanDerWaalsContact CD1-CD2 3.43Å; L388-L411 HydrophobicContact CD2-CD2 4.42Å; L388-P412 HydrophobicContact CB-CG 4.32Å; L388-F415 HydrophobicContact CD2-CD2 3.94Å; L388-F415 HydrophobicContact CD2-CE2 3.87Å
389	M	93.1	Very high	90.7	Very high	25 Å²	25	41.5 Å²	41.5	12%	0.123	21%	0.213	C	C	.	.	H	α-helix	trans	-69.7	-32.7	177.7	-64	-51.3	-62.8	0	0	112.5	D358 F361 W385 V386 D387 F392 E393	D358-M389 HydrophobicContact CB-CE 3.74Å; F361-M389 HydrophobicContact CD1-CE 4.32Å; F361-M389 HydrophobicContact CD1-SD 4.11Å; F361-M389 HydrophobicContact CE1-SD 4.36Å; W385-M389 HydrophobicContact CD2-CG 4.38Å; W385-M389 HydrophobicContact CH2-SD 4.01Å; W385-M389 HydrophobicContact CZ2-CG 3.88Å; W385-M389 HydrophobicContact CZ2-SD 3.57Å; W385-M389 VanDerWaalsContact CZ2-SD 3.57Å; W385-M389 WeakPolarHBondContact O-CG 3.34Å; W385-M389 PolarHBondContact O-N 3.06Å; W385-M389 VanDerWaalsContact O-N 3.11Å; V386-M389 PolarHBondContact O-N 2.81Å; D387-M389 VanDerWaalsContact C-N 3.34Å; M389-F392 HydrophobicContact CE-CD1 4.28Å; M389-F392 PolarHBondContact O-N 3.34Å; M389-E393 WeakPolarHBondContact O-CB 3.35Å; M389-E393 PolarHBondContact O-N 2.99Å
390	I	89.6	Confident	90.7	Very high	40 Å²	40	40.5 Å²	40.5	21%	0.205	20%	0.202	C	C	.	.	H	α-helix	trans	-62.1	-49.2	169.7	-72.6	161	0	0	0	111	R123 V386 D387 F392 E393 A394	R123-I390 HydrophobicContact CG-CD1 3.61Å; R123-I390 HydrophobicContact CG-CG1 4.48Å; R123-I390 VanDerWaalsContact NH1-CG2 3.33Å; V386-I390 HydrophobicContact CG1-CD1 3.71Å; V386-I390 HydrophobicContact CG1-CG1 4.38Å; V386-I390 WeakPolarHBondContact O-CD1 3.27Å; V386-I390 VanDerWaalsContact O-CG1 3.24Å; V386-I390 WeakPolarHBondContact O-CG1 3.1Å; V386-I390 PolarHBondContact O-N 3.43Å; D387-I390 WeakPolarHBondContact O-CB 3.49Å; D387-I390 PolarHBondContact O-N 3.47Å; I390-F392 VanDerWaalsContact C-N 3.25Å; I390-F392 PolarHBondContact O-N 3.42Å; I390-E393 PolarHBondContact O-N 3.03Å; I390-A394 PolarHBondContact O-N 3.28Å
391	A	92.3	Very high	90.4	Very high	23 Å²	23	36.9 Å²	36.9	19%	0.19	19%	0.19	C	C	.	.	H	α-helix	trans	-62	-35.9	178.7	0	0	0	0	0	111.5	D387 L388 R395 I409	D387-A391 WeakPolarHBondContact O-CB 3.41Å; D387-A391 PolarHBondContact O-N 3.48Å; L388-A391 PolarHBondContact O-N 3.42Å; A391-R395 PolarHBondContact O-N 3.22Å; A391-I409 HydrophobicContact CB-CG2 4.02Å
392	F	94.9	Very high	89.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.3	-50	172.3	178.2	-114.7	0	0	0	112.8	V357 D358 F361 L388 M389 I390 A394 R395 K396 I409 M454 L457	V357-F392 HydrophobicContact CG1-CE1 4.43Å; V357-F392 HydrophobicContact CG1-CZ 4.09Å; D358-F392 WeakPolarHBondContact OD1-CE1 3.46Å; F361-F392 HydrophobicContact CB-CD1 4.02Å; F361-F392 HydrophobicContact CB-CD2 4.26Å; F361-F392 HydrophobicContact CB-CE1 3.59Å; F361-F392 HydrophobicContact CB-CE2 3.86Å; F361-F392 HydrophobicContact CB-CG 4.33Å; F361-F392 HydrophobicContact CB-CZ 3.5Å; F361-F392 HydrophobicContact CD1-CB 3.82Å; F361-F392 AromaticContact CD1-CD1 3.68Å; F361-F392 HydrophobicContact CD1-CD1 3.68Å; F361-F392 AromaticContact CD1-CD2 3.73Å; F361-F392 HydrophobicContact CD1-CD2 3.73Å; F361-F392 HydrophobicContact CD1-CE1 4.17Å; F361-F392 HydrophobicContact CD1-CE2 4.22Å; F361-F392 AromaticContact CD1-CG 3.43Å; F361-F392 HydrophobicContact CD1-CG 3.43Å; F361-F392 VanDerWaalsContact CD1-CG 3.43Å; F361-F392 HydrophobicContact CD1-CZ 4.41Å; F361-F392 AromaticContact CD2-CD2 3.74Å; F361-F392 HydrophobicContact CD2-CD2 3.74Å; F361-F392 AromaticContact CD2-CE2 3.7Å; F361-F392 HydrophobicContact CD2-CE2 3.7Å; F361-F392 HydrophobicContact CD2-CG 4.31Å; F361-F392 HydrophobicContact CD2-CZ 4.26Å; F361-F392 HydrophobicContact CE1-CB 3.61Å; F361-F392 HydrophobicContact CE1-CD1 4.37Å; F361-F392 AromaticContact CE1-CD2 3.94Å; F361-F392 HydrophobicContact CE1-CD2 3.94Å; F361-F392 AromaticContact CE1-CG 3.7Å; F361-F392 HydrophobicContact CE1-CG 3.7Å; F361-F392 AromaticContact CE2-CD2 3.95Å; F361-F392 HydrophobicContact CE2-CD2 3.95Å; F361-F392 HydrophobicContact CE2-CE2 4.3Å; F361-F392 AromaticContact CG-CD1 3.93Å; F361-F392 HydrophobicContact CG-CD1 3.93Å; F361-F392 AromaticContact CG-CD2 3.62Å; F361-F392 HydrophobicContact CG-CD2 3.62Å; F361-F392 AromaticContact CG-CE1 3.96Å; F361-F392 HydrophobicContact CG-CE1 3.96Å; F361-F392 AromaticContact CG-CE2 3.65Å; F361-F392 HydrophobicContact CG-CE2 3.65Å; F361-F392 AromaticContact CG-CG 3.76Å; F361-F392 HydrophobicContact CG-CG 3.76Å; F361-F392 AromaticContact CG-CZ 3.82Å; F361-F392 HydrophobicContact CG-CZ 3.82Å; F361-F392 HydrophobicContact CZ-CB 4.23Å; F361-F392 HydrophobicContact CZ-CD2 4.05Å; F361-F392 HydrophobicContact CZ-CG 4.26Å; L388-F392 PolarHBondContact O-N 3.31Å; M389-F392 HydrophobicContact CE-CD1 4.28Å; M389-F392 PolarHBondContact O-N 3.34Å; I390-F392 VanDerWaalsContact C-N 3.25Å; I390-F392 PolarHBondContact O-N 3.42Å; F392-A394 VanDerWaalsContact C-N 3.28Å; F392-A394 PolarHBondContact O-N 3.14Å; F392-R395 CarbonylContact O-C 3.58Å; F392-R395 WeakPolarHBondContact O-CA 3.28Å; F392-R395 PolarHBondContact O-N 2.83Å; F392-K396 HydrophobicContact CE1-CB 4.32Å; F392-K396 HydrophobicContact CE1-CD 3.99Å; F392-K396 HydrophobicContact CE1-CG 4.47Å; F392-K396 HydrophobicContact CZ-CB 4.3Å; F392-K396 HydrophobicContact CZ-CD 4.37Å; F392-K396 HydrophobicContact CZ-CG 4.46Å; F392-K396 WeakPolarHBondContact O-CB 3.49Å; F392-K396 PolarHBondContact O-N 2.89Å; F392-I409 HydrophobicContact CD2-CD1 3.69Å; F392-I409 HydrophobicContact CE2-CD1 4.4Å; F392-M454 HydrophobicContact CE2-CE 4.34Å; F392-L457 HydrophobicContact CE2-CD1 3.84Å; F392-L457 HydrophobicContact CZ-CD1 4.03Å
393	E	91.7	Very high	89	Confident	54 Å²	54	40.5 Å²	40.5	25%	0.252	22%	0.22	S	C	.	.	H	α-helix	trans	-53.4	-45.6	178.9	179.1	64.3	-125.3	0	0	111.5	M389 I390 R395 K396 R397	M389-E393 WeakPolarHBondContact O-CB 3.35Å; M389-E393 PolarHBondContact O-N 2.99Å; I390-E393 PolarHBondContact O-N 3.03Å; E393-R395 PolarHBondContact O-N 2.63Å; E393-K396 VanDerWaalsContact CD-CE 3.41Å; E393-K396 WeakPolarHBondContact O-CB 3.38Å; E393-K396 PolarHBondContact O-N 3.28Å; E393-K396 VanDerWaalsContact OE1-CE 3.23Å; E393-K396 WeakPolarHBondContact OE1-CE 3.26Å; E393-K396 IonicContact OE1-NZ 3.88Å; E393-K396 WeakPolarHBondContact OE2-CE 3.44Å; E393-K396 IonicContact OE2-NZ 4Å; E393-K396 PolarHBondContact OE2-NZ 2.99Å; E393-R397 PolarHBondContact O-N 3.39Å; E393-R397 WeakPolarHBondContact OE1-CD 3.12Å; E393-R397 WeakPolarHBondContact OE1-CG 3.36Å
394	A	89.8	Confident	87.9	Confident	52 Å²	52	44.3 Å²	44.3	43%	0.43	25%	0.252	S	S	.	.	H	α-helix	trans	-59.7	-31.4	176.7	0	0	0	0	0	113.1	I390 F392 T398	I390-A394 PolarHBondContact O-N 3.28Å; F392-A394 VanDerWaalsContact C-N 3.28Å; F392-A394 PolarHBondContact O-N 3.14Å; A394-T398 WeakPolarHBondContact O-CG2 3.16Å
395	R	91.9	Very high	87.4	Confident	100 Å²	100	49.5 Å²	49.5	38%	0.377	28%	0.279	S	S	.	.	H	α-helix	trans	-82.3	-42.3	173.7	-62.9	-44.2	-174.9	-150.1	-3.9	112.2	A391 F392 E393 R397 T398 A399 L407 N408 I409	A391-R395 PolarHBondContact O-N 3.22Å; F392-R395 CarbonylContact O-C 3.58Å; F392-R395 WeakPolarHBondContact O-CA 3.28Å; F392-R395 PolarHBondContact O-N 2.83Å; E393-R395 PolarHBondContact O-N 2.63Å; R395-R397 VanDerWaalsContact C-N 3.32Å; R395-R397 PolarHBondContact O-N 2.86Å; R395-T398 CarbonylContact O-C 3.56Å; R395-T398 WeakPolarHBondContact O-CA 3.31Å; R395-T398 PolarHBondContact O-N 2.79Å; R395-T398 PolarHBondContact O-OG1 3.42Å; R395-A399 PolarHBondContact O-N 3.22Å; R395-A399 VanDerWaalsContact O-N 3.17Å; R395-L407 HydrophobicContact CB-CB 4.47Å; R395-L407 HydrophobicContact CB-CD1 4.22Å; R395-N408 PolarHBondContact NE-O 3.17Å; R395-N408 PolarHBondContact NH2-O 2.83Å; R395-I409 HydrophobicContact CB-CG1 4.25Å; R395-I409 HydrophobicContact CG-CG1 3.91Å
396	K	92.5	Very high	87.1	Confident	9 Å²	9	49.6 Å²	49.6	4%	0.039	28%	0.284	C	S	.	.	H	α-helix	trans	-51.8	-46.9	175.5	-172.9	-178.1	64.7	-174.5	0	111.7	A354 V357 D358 F392 E393 T398 A399 F458	A354-K396 PolarHBondContact O-NZ 2.9Å; V357-K396 HydrophobicContact CB-CD 3.88Å; V357-K396 HydrophobicContact CG1-CD 3.71Å; V357-K396 HydrophobicContact CG1-CG 4.06Å; D358-K396 IonicContact OD1-NZ 3.97Å; D358-K396 PolarHBondContact OD1-NZ 3.47Å; D358-K396 IonicContact OD2-NZ 2.72Å; D358-K396 PolarHBondContact OD2-NZ 2.85Å; F392-K396 HydrophobicContact CE1-CB 4.32Å; F392-K396 HydrophobicContact CE1-CD 3.99Å; F392-K396 HydrophobicContact CE1-CG 4.47Å; F392-K396 HydrophobicContact CZ-CB 4.3Å; F392-K396 HydrophobicContact CZ-CD 4.37Å; F392-K396 HydrophobicContact CZ-CG 4.46Å; F392-K396 WeakPolarHBondContact O-CB 3.49Å; F392-K396 PolarHBondContact O-N 2.89Å; E393-K396 VanDerWaalsContact CD-CE 3.41Å; E393-K396 WeakPolarHBondContact O-CB 3.38Å; E393-K396 PolarHBondContact O-N 3.28Å; E393-K396 VanDerWaalsContact OE1-CE 3.23Å; E393-K396 WeakPolarHBondContact OE1-CE 3.26Å; E393-K396 IonicContact OE1-NZ 3.88Å; E393-K396 WeakPolarHBondContact OE2-CE 3.44Å; E393-K396 IonicContact OE2-NZ 4Å; E393-K396 PolarHBondContact OE2-NZ 2.99Å; K396-T398 PolarHBondContact O-N 2.92Å; K396-A399 VanDerWaalsContact O-CB 3.31Å; K396-A399 WeakPolarHBondContact O-CB 3.47Å; K396-A399 PolarHBondContact O-N 2.92Å; K396-A399 VanDerWaalsContact O-N 3.16Å; K396-F458 HydrophobicContact CG-CE1 4.5Å; K396-F458 HydrophobicContact CG-CE2 3.92Å; K396-F458 HydrophobicContact CG-CZ 3.55Å
397	R	89.5	Confident	87.2	Confident	147 Å²	147	49.6 Å²	49.6	56%	0.555	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.3	176.8	-68.4	-178.4	62.8	71.1	2	114.5	E393 R395 E492	E393-R397 PolarHBondContact O-N 3.39Å; E393-R397 WeakPolarHBondContact OE1-CD 3.12Å; E393-R397 WeakPolarHBondContact OE1-CG 3.36Å; R395-R397 VanDerWaalsContact C-N 3.32Å; R395-R397 PolarHBondContact O-N 2.86Å; R397-E492 IonicContact CZ-OE2 3.95Å; R397-E492 VanDerWaalsContact CZ-OE2 3.28Å; R397-E492 IonicContact NH1-OE2 2.79Å; R397-E492 PolarHBondContact NH1-OE2 2.69Å; R397-E492 IonicContact NH2-OE2 3.16Å; R397-E492 PolarHBondContact NH2-OE2 3.26Å
398	T	88.8	Confident	87.3	Confident	62 Å²	62	50 Å²	50	38%	0.38	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	4.3	177.4	71.6	0	0	0	0	114.1	A394 R395 K396 R403	A394-T398 WeakPolarHBondContact O-CG2 3.16Å; R395-T398 CarbonylContact O-C 3.56Å; R395-T398 WeakPolarHBondContact O-CA 3.31Å; R395-T398 PolarHBondContact O-N 2.79Å; R395-T398 PolarHBondContact O-OG1 3.42Å; K396-T398 PolarHBondContact O-N 2.92Å; T398-R403 PolarHBondContact O-NH1 2.99Å
399	A	89.7	Confident	87.3	Confident	3 Å²	3	50 Å²	50	3%	0.025	29%	0.286	C	S	.	.			trans	-69.2	132.8	175.2	0	0	0	0	0	110.1	R395 K396 L407 M454 F458 M495	R395-A399 PolarHBondContact O-N 3.22Å; R395-A399 VanDerWaalsContact O-N 3.17Å; K396-A399 VanDerWaalsContact O-CB 3.31Å; K396-A399 WeakPolarHBondContact O-CB 3.47Å; K396-A399 PolarHBondContact O-N 2.92Å; K396-A399 VanDerWaalsContact O-N 3.16Å; A399-L407 HydrophobicContact CB-CD1 4.38Å; A399-M454 HydrophobicContact CB-CE 3.98Å; A399-F458 HydrophobicContact CB-CE2 3.97Å; A399-F458 HydrophobicContact CB-CZ 3.89Å; A399-M495 HydrophobicContact CB-CG 4.14Å
400	S	88.3	Confident	87.3	Confident	48 Å²	48	51.9 Å²	51.9	34%	0.336	30%	0.301	S	S	.	.			trans	-148	138.1	-179	-175.2	0	0	0	0	110.9	G402 R403	S400-G402 PolarHBondContact O-N 3.3Å; S400-R403 WeakPolarHBondContact O-CB 3.47Å; S400-R403 PolarHBondContact O-N 2.88Å
401	P	82.4	Confident	87.5	Confident	33 Å²	33	50.2 Å²	50.2	21%	0.214	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	131.2	179	-21.6	32.3	0	0	0	112.5	M495 K498	P401-M495 HydrophobicContact CB-SD 4.46Å; P401-M495 VanDerWaalsContact CD-SD 3.57Å; P401-M495 HydrophobicContact CG-SD 3.68Å; P401-K498 HydrophobicContact CB-CD 3.4Å; P401-K498 HydrophobicContact CG-CB 3.96Å; P401-K498 HydrophobicContact CG-CD 3.6Å; P401-K498 HydrophobicContact CG-CG 4.41Å
402	G	73.8	Confident	87.5	Confident	56 Å²	56	50.1 Å²	50.1	58%	0.577	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	7	178.4	0	0	0	0	0	114.5	S400 A404	S400-G402 PolarHBondContact O-N 3.3Å; G402-A404 PolarHBondContact O-N 3.11Å
403	R	75.5	Confident	87.3	Confident	108 Å²	108	57.8 Å²	57.8	41%	0.408	32%	0.324	S	S	.	.			trans	-75.3	101.4	170.9	-172.1	179.1	-171.4	178	-1.2	109.9	T398 S400 N405 Q451	T398-R403 PolarHBondContact O-NH1 2.99Å; S400-R403 WeakPolarHBondContact O-CB 3.47Å; S400-R403 PolarHBondContact O-N 2.88Å; R403-N405 PolarHBondContact O-N 3.2Å; R403-N405 VanDerWaalsContact O-N 3.12Å; R403-Q451 PolarHBondContact O-OE1 3.4Å
404	A	66.4	Low	87.2	Confident	94 Å²	94	57 Å²	57	78%	0.777	32%	0.324	S	S	*	.			trans	-59.1	-23.3	178.9	0	0	0	0	0	114.7	G402 A406	G402-A404 PolarHBondContact O-N 3.11Å; A404-A406 PolarHBondContact O-N 3.25Å
405	N	80	Confident	87.5	Confident	118 Å²	118	54.5 Å²	54.5	63%	0.631	30%	0.304	S	S	*	.	S	Bend	trans	-83.1	112.2	-179.4	-70.9	-7.8	0	0	0	111.6	R403	R403-N405 PolarHBondContact O-N 3.2Å; R403-N405 VanDerWaalsContact O-N 3.12Å
406	A	85.9	Confident	87.5	Confident	24 Å²	24	52 Å²	52	20%	0.198	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-47.7	145.1	166.3	0	0	0	0	0	112.9	A404 R448 L449	A404-A406 PolarHBondContact O-N 3.25Å; A406-R448 HydrophobicContact CB-CG 3.79Å; A406-L449 CarbonylContact C-O 3.6Å; A406-L449 WeakPolarHBondContact CA-O 3.43Å; A406-L449 WeakPolarHBondContact CB-O 3.44Å
407	L	90.5	Very high	87.6	Confident	14 Å²	14	53.6 Å²	53.6	7%	0.073	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.4	-179.3	-59.9	-176.1	0	0	0	110.8	R395 A399 R448 L449 M454	R395-L407 HydrophobicContact CB-CB 4.47Å; R395-L407 HydrophobicContact CB-CD1 4.22Å; A399-L407 HydrophobicContact CB-CD1 4.38Å; L407-R448 WeakPolarHBondContact O-CA 3.48Å; L407-L449 PolarHBondContact N-O 2.93Å; L407-L449 PolarHBondContact O-N 3.3Å; L407-M454 HydrophobicContact CD1-CE 4.11Å; L407-M454 HydrophobicContact CD1-CG 4.02Å; L407-M454 HydrophobicContact CD1-SD 4.14Å; L407-M454 HydrophobicContact CG-CG 4.4Å
408	N	92.8	Very high	87.8	Confident	39 Å²	39	48.1 Å²	48.1	21%	0.209	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	119.1	177.4	-65.1	-14.9	0	0	0	110.3	R395 M446 L447 R448	R395-N408 PolarHBondContact NE-O 3.17Å; R395-N408 PolarHBondContact NH2-O 2.83Å; N408-M446 HydrophobicContact CB-CB 4.15Å; N408-M446 HydrophobicContact CB-CE 3.97Å; N408-M446 HydrophobicContact CB-SD 3.84Å; N408-L447 CarbonylContact C-O 3.48Å; N408-L447 WeakPolarHBondContact CA-O 3.19Å; N408-R448 WeakPolarHBondContact OD1-CB 3.48Å; N408-R448 WeakPolarHBondContact OD1-CD 3.11Å; N408-R448 VanDerWaalsContact OD1-CG 3.23Å; N408-R448 WeakPolarHBondContact OD1-CG 3.01Å
409	I	94.2	Very high	88.1	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	128.4	173	-56.3	164.9	0	0	0	107.8	F361 L388 A391 F392 R395 M446 L447 L449	F361-I409 HydrophobicContact CD2-CD1 4.5Å; F361-I409 HydrophobicContact CE2-CD1 3.62Å; F361-I409 HydrophobicContact CZ-CD1 3.78Å; L388-I409 HydrophobicContact CD1-CG2 4.22Å; A391-I409 HydrophobicContact CB-CG2 4.02Å; F392-I409 HydrophobicContact CD2-CD1 3.69Å; F392-I409 HydrophobicContact CE2-CD1 4.4Å; R395-I409 HydrophobicContact CB-CG1 4.25Å; R395-I409 HydrophobicContact CG-CG1 3.91Å; I409-M446 WeakPolarHBondContact O-CB 3.5Å; I409-L447 HydrophobicContact CB-CB 4.43Å; I409-L447 PolarHBondContact N-O 2.96Å; I409-L447 PolarHBondContact O-N 3.42Å; I409-L449 HydrophobicContact CD1-CD1 3.71Å; I409-L449 HydrophobicContact CD1-CD2 3.9Å; I409-L449 HydrophobicContact CD1-CG 4.43Å; I409-L449 HydrophobicContact CG1-CD1 4.46Å
410	S	92.5	Very high	88.3	Confident	65 Å²	65	51.8 Å²	51.8	46%	0.455	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	131	173.2	-163.9	0	0	0	0	109.6
411	L	93.3	Very high	88.5	Confident	5 Å²	5	58.6 Å²	58.6	3%	0.026	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-92.2	130.6	165.3	-60.7	-172.4	0	0	0	107.9	F369 L388 F415 I416 V427 W441 L447	F369-L411 HydrophobicContact CZ-CD1 4.47Å; L388-L411 HydrophobicContact CD1-CD2 3.43Å; L388-L411 VanDerWaalsContact CD1-CD2 3.43Å; L388-L411 HydrophobicContact CD2-CD2 4.42Å; L411-F415 HydrophobicContact CB-CD1 4.49Å; L411-F415 HydrophobicContact CD1-CD1 3.95Å; L411-F415 HydrophobicContact CD1-CE1 3.99Å; L411-I416 HydrophobicContact CB-CD1 4.22Å; L411-I416 HydrophobicContact CB-CG1 4.05Å; L411-V427 HydrophobicContact CD1-CG1 3.89Å; L411-V427 HydrophobicContact CD1-CG2 4.48Å; L411-W441 HydrophobicContact CD1-CH2 4.12Å; L411-W441 HydrophobicContact CD1-CZ3 3.71Å; L411-W441 HydrophobicContact CG-CZ3 4.23Å; L411-L447 HydrophobicContact CD2-CB 4.25Å; L411-L447 HydrophobicContact CD2-CD2 4.35Å; L411-L447 HydrophobicContact CG-CB 4.26Å
412	P	92.3	Very high	88.9	Confident	22 Å²	22	61.1 Å²	61.1	14%	0.143	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-54.4	143	173.8	-27.9	36.8	0	0	0	111.7	A384 D387 L388 S414 F415 I416	A384-P412 HydrophobicContact CB-CB 4.33Å; A384-P412 WeakPolarHBondContact O-CG 3.46Å; D387-P412 HydrophobicContact CB-CG 3.79Å; L388-P412 HydrophobicContact CB-CG 4.32Å; P412-S414 PolarHBondContact O-N 3.47Å; P412-F415 WeakPolarHBondContact O-CA 3.47Å; P412-F415 VanDerWaalsContact O-CB 3.29Å; P412-F415 WeakPolarHBondContact O-CB 3.16Å; P412-F415 PolarHBondContact O-N 2.93Å; P412-I416 PolarHBondContact O-N 3.47Å
413	F	91.2	Very high	89.8	Confident	160 Å²	160	62 Å²	62	70%	0.702	31%	0.31	S	S	*	.	H	α-helix	trans	-55.4	-38.5	179	174.4	-98.6	0	0	0	111.9	F415 I416 D417	F413-F415 VanDerWaalsContact C-N 3.31Å; F413-F415 PolarHBondContact O-N 3.31Å; F413-I416 PolarHBondContact O-N 3.08Å; F413-I416 VanDerWaalsContact O-N 3.14Å; F413-D417 HydrophobicContact CE1-CB 4.11Å; F413-D417 HydrophobicContact CZ-CB 4.23Å; F413-D417 WeakPolarHBondContact O-CB 3.45Å; F413-D417 PolarHBondContact O-N 2.96Å
414	S	90.8	Very high	90.5	Very high	37 Å²	37	60.1 Å²	60.1	26%	0.259	33%	0.325	S	S	.	.	H	α-helix	trans	-58	-35.3	173.8	50	0	0	0	0	113.5	A384 P412 F418	A384-S414 WeakPolarHBondContact CB-OG 3.46Å; P412-S414 PolarHBondContact O-N 3.47Å; S414-F418 WeakPolarHBondContact O-CB 3.41Å; S414-F418 PolarHBondContact O-N 3.04Å
415	F	94.5	Very high	91.6	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-66	-47.2	172.7	-174.4	-77.6	0	0	0	110.9	F369 F373 I374 F377 L388 L411 P412 F413 Y419	F369-F415 HydrophobicContact CD1-CE1 4.4Å; F369-F415 HydrophobicContact CD2-CE1 4.13Å; F369-F415 AromaticContact CD2-CZ 3.69Å; F369-F415 HydrophobicContact CD2-CZ 3.69Å; F369-F415 HydrophobicContact CE1-CE1 4.25Å; F369-F415 AromaticContact CE2-CE1 3.97Å; F369-F415 HydrophobicContact CE2-CE1 3.97Å; F369-F415 AromaticContact CE2-CZ 3.84Å; F369-F415 HydrophobicContact CE2-CZ 3.84Å; F369-F415 HydrophobicContact CG-CE1 4.35Å; F369-F415 HydrophobicContact CG-CZ 4.09Å; F369-F415 HydrophobicContact CZ-CE1 4.03Å; F369-F415 HydrophobicContact CZ-CZ 4.37Å; F373-F415 HydrophobicContact CE1-CD2 4.47Å; F373-F415 HydrophobicContact CE1-CE1 4.16Å; F373-F415 AromaticContact CE1-CE2 3.85Å; F373-F415 HydrophobicContact CE1-CE2 3.85Å; F373-F415 AromaticContact CE1-CZ 3.68Å; F373-F415 HydrophobicContact CE1-CZ 3.68Å; F373-F415 HydrophobicContact CZ-CZ 4.43Å; I374-F415 HydrophobicContact CD1-CE2 4Å; I374-F415 HydrophobicContact CD1-CZ 4.11Å; F377-F415 AromaticContact CD1-CD2 3.86Å; F377-F415 HydrophobicContact CD1-CD2 3.86Å; F377-F415 HydrophobicContact CD1-CE2 4.29Å; F377-F415 HydrophobicContact CD2-CD2 4.41Å; F377-F415 HydrophobicContact CE1-CB 4.45Å; F377-F415 AromaticContact CE1-CD2 3.61Å; F377-F415 HydrophobicContact CE1-CD2 3.61Å; F377-F415 HydrophobicContact CE1-CE2 4.41Å; F377-F415 HydrophobicContact CE1-CG 4.5Å; F377-F415 HydrophobicContact CE2-CB 3.97Å; F377-F415 HydrophobicContact CE2-CD2 4.18Å; F377-F415 HydrophobicContact CE2-CG 4.44Å; F377-F415 HydrophobicContact CG-CD2 4.25Å; F377-F415 HydrophobicContact CZ-CB 3.76Å; F377-F415 AromaticContact CZ-CD2 3.77Å; F377-F415 HydrophobicContact CZ-CD2 3.77Å; F377-F415 HydrophobicContact CZ-CG 4.23Å; L388-F415 HydrophobicContact CD2-CD2 3.94Å; L388-F415 HydrophobicContact CD2-CE2 3.87Å; L411-F415 HydrophobicContact CB-CD1 4.49Å; L411-F415 HydrophobicContact CD1-CD1 3.95Å; L411-F415 HydrophobicContact CD1-CE1 3.99Å; P412-F415 WeakPolarHBondContact O-CA 3.47Å; P412-F415 VanDerWaalsContact O-CB 3.29Å; P412-F415 WeakPolarHBondContact O-CB 3.16Å; P412-F415 PolarHBondContact O-N 2.93Å; F413-F415 VanDerWaalsContact C-N 3.31Å; F413-F415 PolarHBondContact O-N 3.31Å; F415-Y419 VanDerWaalsContact O-CB 3.28Å; F415-Y419 WeakPolarHBondContact O-CB 3.49Å; F415-Y419 PolarHBondContact O-N 2.99Å
416	I	93.5	Very high	92.2	Very high	48 Å²	48	55.1 Å²	55.1	25%	0.246	29%	0.288	C	S	.	.	H	α-helix	trans	-65.9	-46.5	-176.4	-56.9	171.1	0	0	0	110.8	L411 P412 F413 K420 V427 W441	L411-I416 HydrophobicContact CB-CD1 4.22Å; L411-I416 HydrophobicContact CB-CG1 4.05Å; P412-I416 PolarHBondContact O-N 3.47Å; F413-I416 PolarHBondContact O-N 3.08Å; F413-I416 VanDerWaalsContact O-N 3.14Å; I416-K420 WeakPolarHBondContact O-CB 3.4Å; I416-K420 PolarHBondContact O-N 3.41Å; I416-V427 HydrophobicContact CB-CG2 4.49Å; I416-V427 HydrophobicContact CG1-CG2 4.37Å; I416-V427 HydrophobicContact CG2-CG2 4.25Å; I416-W441 HydrophobicContact CD1-CH2 3.91Å; I416-W441 HydrophobicContact CD1-CZ2 4.31Å; I416-W441 HydrophobicContact CG1-CH2 4.36Å
417	D	93.7	Very high	92.5	Very high	43 Å²	43	54.1 Å²	54.1	23%	0.23	28%	0.279	C	S	.	.	H	α-helix	trans	-65.9	-46.8	177	173.2	70.5	0	0	0	111.7	F413 Y419 K420 R421	F413-D417 HydrophobicContact CE1-CB 4.11Å; F413-D417 HydrophobicContact CZ-CB 4.23Å; F413-D417 WeakPolarHBondContact O-CB 3.45Å; F413-D417 PolarHBondContact O-N 2.96Å; D417-Y419 PolarHBondContact O-N 2.88Å; D417-K420 PolarHBondContact O-N 3.41Å; D417-R421 VanDerWaalsContact CG-NH2 3.29Å; D417-R421 WeakPolarHBondContact O-CG 3.1Å; D417-R421 PolarHBondContact O-N 3.18Å; D417-R421 IonicContact OD1-CZ 2.69Å; D417-R421 IonicContact OD1-NE 3.2Å; D417-R421 PolarHBondContact OD1-NE 2.9Å; D417-R421 IonicContact OD1-NH2 2.96Å; D417-R421 PolarHBondContact OD1-NH2 3.42Å; D417-R421 IonicContact OD2-CZ 3.91Å; D417-R421 IonicContact OD2-NE 2.6Å; D417-R421 PolarHBondContact OD2-NE 2.92Å; D417-R421 IonicContact OD2-NH2 3.79Å; D417-R421 PolarHBondContact OD2-NH2 3.39Å
418	F	93.6	Very high	92.6	Very high	31 Å²	31	56.7 Å²	56.7	14%	0.136	29%	0.291	C	S	.	.	H	α-helix	trans	-62.5	-41.6	178.3	-174	-103.8	0	0	0	111.9	F373 F377 K380 S414 R421 H422	F373-F418 HydrophobicContact CD2-CD1 4.27Å; F373-F418 HydrophobicContact CD2-CE1 4.21Å; F373-F418 AromaticContact CE2-CD1 3.33Å; F373-F418 HydrophobicContact CE2-CD1 3.33Å; F373-F418 AromaticContact CE2-CE1 3.7Å; F373-F418 HydrophobicContact CE2-CE1 3.7Å; F373-F418 HydrophobicContact CE2-CG 4.41Å; F373-F418 AromaticContact CZ-CD1 3.78Å; F373-F418 HydrophobicContact CZ-CD1 3.78Å; F373-F418 HydrophobicContact CZ-CE1 4.38Å; F377-F418 HydrophobicContact CB-CD1 4.07Å; F377-F418 HydrophobicContact CB-CE1 3.98Å; F377-F418 HydrophobicContact CD2-CB 4.26Å; F377-F418 AromaticContact CD2-CD1 3.6Å; F377-F418 HydrophobicContact CD2-CD1 3.6Å; F377-F418 HydrophobicContact CD2-CE1 4.24Å; F377-F418 HydrophobicContact CD2-CG 4.13Å; F377-F418 HydrophobicContact CE2-CB 4.49Å; F377-F418 HydrophobicContact CG-CD1 4.32Å; K380-F418 HydrophobicContact CD-CE2 4.14Å; K380-F418 HydrophobicContact CD-CZ 3.98Å; S414-F418 WeakPolarHBondContact O-CB 3.41Å; S414-F418 PolarHBondContact O-N 3.04Å; F418-R421 PolarHBondContact O-N 2.93Å; F418-H422 VanDerWaalsContact O-CB 3.24Å; F418-H422 WeakPolarHBondContact O-CB 3.37Å; F418-H422 PolarHBondContact O-N 2.91Å
419	Y	94.6	Very high	92.5	Very high	5 Å²	5	56.3 Å²	56.3	2%	0.02	29%	0.293	C	S	.	.	H	α-helix	trans	-60.5	-46.5	173.3	-171	-96.9	0	0	0	112.1	F369 F373 F415 D417 R421 H422 R423 Q425 V427 A430	F369-Y419 HydrophobicContact CB-CD2 4.23Å; F369-Y419 HydrophobicContact CB-CE2 3.76Å; F369-Y419 AromaticContact CD1-CD2 3.87Å; F369-Y419 HydrophobicContact CD1-CD2 3.87Å; F369-Y419 HydrophobicContact CD1-CE1 4.32Å; F369-Y419 AromaticContact CD1-CE2 3.52Å; F369-Y419 HydrophobicContact CD1-CE2 3.52Å; F369-Y419 HydrophobicContact CD1-CG 4.42Å; F369-Y419 AromaticContact CD1-CZ 3.78Å; F369-Y419 HydrophobicContact CG-CD2 4.39Å; F369-Y419 HydrophobicContact CG-CE2 4.09Å; F373-Y419 AromaticContact CD1-CD2 3.81Å; F373-Y419 HydrophobicContact CD1-CD2 3.81Å; F373-Y419 HydrophobicContact CD1-CE2 4.27Å; F373-Y419 AromaticContact CD2-CD2 3.79Å; F373-Y419 HydrophobicContact CD2-CD2 3.79Å; F373-Y419 HydrophobicContact CD2-CE2 4.44Å; F373-Y419 AromaticContact CE1-CD2 3.68Å; F373-Y419 HydrophobicContact CE1-CD2 3.68Å; F373-Y419 VanDerWaalsContact CE2-CA 3.43Å; F373-Y419 AromaticContact CE2-CD2 3.64Å; F373-Y419 HydrophobicContact CE2-CD2 3.64Å; F373-Y419 HydrophobicContact CE2-CG 4.22Å; F373-Y419 AromaticContact CG-CD2 3.88Å; F373-Y419 HydrophobicContact CG-CD2 3.88Å; F373-Y419 HydrophobicContact CG-CE2 4.23Å; F373-Y419 AromaticContact CZ-CD2 3.6Å; F373-Y419 HydrophobicContact CZ-CD2 3.6Å; F373-Y419 HydrophobicContact CZ-CG 4.13Å; F415-Y419 VanDerWaalsContact O-CB 3.28Å; F415-Y419 WeakPolarHBondContact O-CB 3.49Å; F415-Y419 PolarHBondContact O-N 2.99Å; D417-Y419 PolarHBondContact O-N 2.88Å; Y419-R421 VanDerWaalsContact C-N 3.35Å; Y419-R421 PolarHBondContact O-N 3.31Å; Y419-H422 PolarHBondContact O-N 3.44Å; Y419-R423 HydrophobicContact CD2-CG 3.99Å; Y419-R423 HydrophobicContact CE1-CB 4.2Å; Y419-R423 HydrophobicContact CE1-CG 4.35Å; Y419-R423 HydrophobicContact CE2-CB 4.31Å; Y419-R423 HydrophobicContact CE2-CG 3.58Å; Y419-R423 WeakPolarHBondContact O-CB 3.39Å; Y419-R423 PolarHBondContact O-N 2.71Å; Y419-Q425 WeakPolarHBondContact CD1-O 3.38Å; Y419-Q425 HydrophobicContact CE1-CG 3.7Å; Y419-Q425 PolarHBondContact OH-NE2 3.45Å; Y419-V427 HydrophobicContact CD1-CG2 4.11Å; Y419-V427 HydrophobicContact CG-CG2 4.42Å; Y419-A430 HydrophobicContact CE1-CB 3.75Å; Y419-A430 WeakPolarHBondContact OH-CB 3.49Å
420	K	94.1	Very high	92.3	Very high	137 Å²	137	56.6 Å²	56.6	60%	0.596	30%	0.295	S	S	*	.	H	α-helix	trans	-60.8	-42.1	178.4	-172.7	-177.4	177.5	-173.4	0	112.1	I416 D417 G424 Q425	I416-K420 WeakPolarHBondContact O-CB 3.4Å; I416-K420 PolarHBondContact O-N 3.41Å; D417-K420 PolarHBondContact O-N 3.41Å; K420-G424 VanDerWaalsContact O-CA 3.23Å; K420-G424 WeakPolarHBondContact O-CA 3.24Å; K420-G424 PolarHBondContact O-N 3.2Å; K420-Q425 WeakPolarHBondContact CA-O 3.29Å
421	R	92.9	Very high	92.3	Very high	192 Å²	192	54 Å²	54	73%	0.725	28%	0.276	S	S	*	.	H	α-helix	trans	-69.6	-39.7	176.9	-67.3	-179.9	-162.1	-156.9	10.3	112.7	D417 F418 Y419	D417-R421 VanDerWaalsContact CG-NH2 3.29Å; D417-R421 WeakPolarHBondContact O-CG 3.1Å; D417-R421 PolarHBondContact O-N 3.18Å; D417-R421 IonicContact OD1-CZ 2.69Å; D417-R421 IonicContact OD1-NE 3.2Å; D417-R421 PolarHBondContact OD1-NE 2.9Å; D417-R421 IonicContact OD1-NH2 2.96Å; D417-R421 PolarHBondContact OD1-NH2 3.42Å; D417-R421 IonicContact OD2-CZ 3.91Å; D417-R421 IonicContact OD2-NE 2.6Å; D417-R421 PolarHBondContact OD2-NE 2.92Å; D417-R421 IonicContact OD2-NH2 3.79Å; D417-R421 PolarHBondContact OD2-NH2 3.39Å; F418-R421 PolarHBondContact O-N 2.93Å; Y419-R421 VanDerWaalsContact C-N 3.35Å; Y419-R421 PolarHBondContact O-N 3.31Å
422	H	90.8	Very high	92	Very high	86 Å²	86	62.6 Å²	62.6	40%	0.398	31%	0.308	S	S	.	.	H	α-helix	trans	-81.5	-30.2	-174.3	-164.5	66	0	0	0	113.8	F373 F418 Y419	F373-H422 HydrophobicContact CD2-CB 4.33Å; F373-H422 AromaticContact CD2-CD2 3.91Å; F373-H422 HydrophobicContact CE2-CB 4.43Å; F418-H422 VanDerWaalsContact O-CB 3.24Å; F418-H422 WeakPolarHBondContact O-CB 3.37Å; F418-H422 PolarHBondContact O-N 2.91Å; Y419-H422 PolarHBondContact O-N 3.44Å
423	R	91.7	Very high	91.7	Very high	73 Å²	73	68.4 Å²	68.4	28%	0.275	33%	0.327	S	S	.	.	H	α-helix	trans	-114	-3.2	-177.1	-60.2	-63.4	-151	-160.3	1.8	114.5	F369 D372 Y419 Q425	F369-R423 PolarHBondContact O-NH2 2.94Å; D372-R423 VanDerWaalsContact CG-NH2 3.26Å; D372-R423 IonicContact OD1-CZ 3.74Å; D372-R423 IonicContact OD1-NH1 3.44Å; D372-R423 IonicContact OD1-NH2 3.97Å; D372-R423 PolarHBondContact OD1-NH2 2.86Å; D372-R423 IonicContact OD2-CZ 2.7Å; D372-R423 VanDerWaalsContact OD2-CZ 3.29Å; D372-R423 IonicContact OD2-NH1 3.63Å; D372-R423 PolarHBondContact OD2-NH1 3.39Å; D372-R423 IonicContact OD2-NH2 2.72Å; D372-R423 PolarHBondContact OD2-NH2 2.97Å; D372-R423 VanDerWaalsContact OD2-NH2 3.11Å; Y419-R423 HydrophobicContact CD2-CG 3.99Å; Y419-R423 HydrophobicContact CE1-CB 4.2Å; Y419-R423 HydrophobicContact CE1-CG 4.35Å; Y419-R423 HydrophobicContact CE2-CB 4.31Å; Y419-R423 HydrophobicContact CE2-CG 3.58Å; Y419-R423 WeakPolarHBondContact O-CB 3.39Å; Y419-R423 PolarHBondContact O-N 2.71Å; R423-Q425 HydrophobicContact CB-CG 3.78Å; R423-Q425 PolarHBondContact O-N 3.02Å
424	G	91.1	Very high	91.3	Very high	70 Å²	70	61.6 Å²	61.6	72%	0.722	30%	0.3	S	S	*	.	S	Bend	trans	67.2	11.3	-178.4	0	0	0	0	0	115.2	K420	K420-G424 VanDerWaalsContact O-CA 3.23Å; K420-G424 WeakPolarHBondContact O-CA 3.24Å; K420-G424 PolarHBondContact O-N 3.2Å
425	Q	90.6	Very high	90.6	Very high	50 Å²	50	67.4 Å²	67.4	23%	0.234	33%	0.328	C	S	.	.	S	Bend	trans	-142.4	153.9	-167.2	69.6	-157.9	5.7	0	0	112.2	Y419 K420 R423	Y419-Q425 WeakPolarHBondContact CD1-O 3.38Å; Y419-Q425 HydrophobicContact CE1-CG 3.7Å; Y419-Q425 PolarHBondContact OH-NE2 3.45Å; K420-Q425 WeakPolarHBondContact CA-O 3.29Å; R423-Q425 HydrophobicContact CB-CG 3.78Å; R423-Q425 PolarHBondContact O-N 3.02Å
426	S	92.6	Very high	90	Very high	57 Å²	57	68.3 Å²	68.3	40%	0.399	33%	0.332	S	S	.	.			trans	-74.9	156.1	178.5	67.7	0	0	0	0	112.5	E428 A429 A430	S426-E428 PolarHBondContact O-N 3.25Å; S426-A429 PolarHBondContact O-N 2.9Å; S426-A429 VanDerWaalsContact O-N 3.07Å; S426-A429 WeakPolarHBondContact OG-CB 3.37Å; S426-A429 PolarHBondContact OG-N 3.13Å; S426-A429 VanDerWaalsContact OG-N 3.12Å; S426-A430 PolarHBondContact O-N 2.87Å
427	V	92.1	Very high	89.4	Confident	2 Å²	2	72.5 Å²	72.5	1%	0.012	36%	0.355	C	S	.	.	H	α-helix	trans	-54.9	-40.2	170.8	165.7	0	0	0	0	111.5	F369 L411 I416 Y419 A429 A430 L431 W441	F369-V427 HydrophobicContact CE1-CB 4.32Å; F369-V427 HydrophobicContact CE1-CG1 3.86Å; F369-V427 HydrophobicContact CE1-CG2 4.18Å; F369-V427 HydrophobicContact CZ-CG1 3.9Å; L411-V427 HydrophobicContact CD1-CG1 3.89Å; L411-V427 HydrophobicContact CD1-CG2 4.48Å; I416-V427 HydrophobicContact CB-CG2 4.49Å; I416-V427 HydrophobicContact CG1-CG2 4.37Å; I416-V427 HydrophobicContact CG2-CG2 4.25Å; Y419-V427 HydrophobicContact CD1-CG2 4.11Å; Y419-V427 HydrophobicContact CG-CG2 4.42Å; V427-A429 PolarHBondContact O-N 2.71Å; V427-A430 WeakPolarHBondContact O-CB 3.32Å; V427-A430 PolarHBondContact O-N 3.4Å; V427-L431 HydrophobicContact CG1-CD1 4.01Å; V427-L431 PolarHBondContact O-N 3.32Å; V427-W441 HydrophobicContact CB-CH2 4.35Å; V427-W441 HydrophobicContact CB-CZ3 4.36Å; V427-W441 HydrophobicContact CG1-CD2 4.24Å; V427-W441 HydrophobicContact CG1-CE3 3.61Å; V427-W441 HydrophobicContact CG1-CH2 3.88Å; V427-W441 HydrophobicContact CG1-CZ2 4.46Å; V427-W441 HydrophobicContact CG1-CZ3 3.42Å; V427-W441 VanDerWaalsContact CG1-CZ3 3.42Å
428	E	91.4	Very high	89	Confident	69 Å²	69	72.3 Å²	72.3	32%	0.322	35%	0.353	S	S	.	.	H	α-helix	trans	-62.9	-41.3	175.2	-174.6	174.6	-160	0	0	112.5	S426 A430 L431 R432 W441	S426-E428 PolarHBondContact O-N 3.25Å; E428-A430 PolarHBondContact O-N 3.06Å; E428-L431 PolarHBondContact O-N 2.99Å; E428-R432 WeakPolarHBondContact O-CG 3.28Å; E428-R432 PolarHBondContact O-N 2.89Å; E428-R432 IonicContact OE1-CZ 3.51Å; E428-R432 IonicContact OE1-NE 3.18Å; E428-R432 IonicContact OE1-NH2 4Å; E428-R432 PolarHBondContact OE1-NH2 3.47Å; E428-R432 IonicContact OE2-NH2 2.66Å; E428-W441 HydrophobicContact CB-CB 4.03Å; E428-W441 HydrophobicContact CB-CG 3.86Å; E428-W441 HydrophobicContact CG-CB 3.85Å; E428-W441 HydrophobicContact CG-CG 4.12Å
429	A	90.7	Very high	88.9	Confident	31 Å²	31	71 Å²	71	26%	0.256	35%	0.348	S	S	.	.	H	α-helix	trans	-70.4	-20.9	176.3	0	0	0	0	0	112.9	S426 V427 R433	S426-A429 PolarHBondContact O-N 2.9Å; S426-A429 VanDerWaalsContact O-N 3.07Å; S426-A429 WeakPolarHBondContact OG-CB 3.37Å; S426-A429 PolarHBondContact OG-N 3.13Å; S426-A429 VanDerWaalsContact OG-N 3.12Å; V427-A429 PolarHBondContact O-N 2.71Å; A429-R433 PolarHBondContact O-NE 3.37Å; A429-R433 PolarHBondContact O-NH2 3.46Å
430	A	91.2	Very high	88.7	Confident	5 Å²	5	76.6 Å²	76.6	4%	0.041	37%	0.373	C	S	.	.	H	α-helix	trans	-73.8	-51.4	169	0	0	0	0	0	110.5	F369 Y419 S426 V427 E428 R432 R433 S434	F369-A430 HydrophobicContact CD1-CB 4.05Å; F369-A430 HydrophobicContact CE1-CB 4.03Å; Y419-A430 HydrophobicContact CE1-CB 3.75Å; Y419-A430 WeakPolarHBondContact OH-CB 3.49Å; S426-A430 PolarHBondContact O-N 2.87Å; V427-A430 WeakPolarHBondContact O-CB 3.32Å; V427-A430 PolarHBondContact O-N 3.4Å; E428-A430 PolarHBondContact O-N 3.06Å; A430-R432 VanDerWaalsContact C-N 3.32Å; A430-R432 PolarHBondContact O-N 2.9Å; A430-R433 CarbonylContact O-C 3.6Å; A430-R433 WeakPolarHBondContact O-CA 3.29Å; A430-R433 PolarHBondContact O-N 2.87Å; A430-S434 PolarHBondContact O-N 3.39Å
431	L	90.9	Very high	88.6	Confident	10 Å²	10	73 Å²	73	5%	0.052	36%	0.355	C	S	.	.	H	α-helix	trans	-56.3	-42.4	178.3	-75.6	162.7	0	0	0	112.7	I368 V427 E428 R433 S434 V439 W441 L447	I368-L431 HydrophobicContact CD1-CD2 3.98Å; I368-L431 HydrophobicContact CG1-CD2 4.44Å; I368-L431 HydrophobicContact CG2-CD2 3.67Å; I368-L431 HydrophobicContact CG2-CG 4.08Å; V427-L431 HydrophobicContact CG1-CD1 4.01Å; V427-L431 PolarHBondContact O-N 3.32Å; E428-L431 PolarHBondContact O-N 2.99Å; L431-R433 PolarHBondContact O-N 3.05Å; L431-S434 PolarHBondContact O-N 2.92Å; L431-S434 VanDerWaalsContact O-O 3.08Å; L431-S434 PolarHBondContact O-OG 3.16Å; L431-V439 HydrophobicContact CD2-CB 4.21Å; L431-V439 HydrophobicContact CD2-CG1 3.76Å; L431-W441 HydrophobicContact CD1-CB 3.95Å; L431-W441 HydrophobicContact CD1-CD2 4.49Å; L431-W441 HydrophobicContact CD1-CE3 3.92Å; L431-L447 HydrophobicContact CD1-CD1 3.78Å; L431-L447 HydrophobicContact CD2-CD1 3.88Å; L431-L447 HydrophobicContact CG-CD1 4.41Å
432	R	87.9	Confident	88.5	Confident	187 Å²	187	64.3 Å²	64.3	71%	0.706	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.6	176.1	-69.1	177.8	-171.3	178.7	2.1	114.6	E428 A430	E428-R432 WeakPolarHBondContact O-CG 3.28Å; E428-R432 PolarHBondContact O-N 2.89Å; E428-R432 IonicContact OE1-CZ 3.51Å; E428-R432 IonicContact OE1-NE 3.18Å; E428-R432 IonicContact OE1-NH2 4Å; E428-R432 PolarHBondContact OE1-NH2 3.47Å; E428-R432 IonicContact OE2-NH2 2.66Å; A430-R432 VanDerWaalsContact C-N 3.32Å; A430-R432 PolarHBondContact O-N 2.9Å
433	R	86.4	Confident	88.1	Confident	144 Å²	144	66.6 Å²	66.6	54%	0.543	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-25.5	175.1	-86.6	177.1	-70.3	175.3	-5.7	113.1	A429 A430 L431	A429-R433 PolarHBondContact O-NE 3.37Å; A429-R433 PolarHBondContact O-NH2 3.46Å; A430-R433 CarbonylContact O-C 3.6Å; A430-R433 WeakPolarHBondContact O-CA 3.29Å; A430-R433 PolarHBondContact O-N 2.87Å; L431-R433 PolarHBondContact O-N 3.05Å
434	S	81.9	Confident	87.8	Confident	17 Å²	17	70 Å²	70	12%	0.119	37%	0.369	C	S	.	.	S	Bend	trans	-63.9	134.4	165.9	76.8	0	0	0	0	108.6	A430 L431 M436	A430-S434 PolarHBondContact O-N 3.39Å; L431-S434 PolarHBondContact O-N 2.92Å; L431-S434 VanDerWaalsContact O-O 3.08Å; L431-S434 PolarHBondContact O-OG 3.16Å; S434-M436 PolarHBondContact O-N 3.03Å
435	N	76.6	Confident	87.6	Confident	159 Å²	159	67.9 Å²	67.9	85%	0.85	35%	0.347	S	S	*	.	S	Bend	trans	-72.5	19.3	177	-72.1	-21.3	0	0	0	113.1	N437	N435-N437 PolarHBondContact O-N 3.21Å
436	M	81.7	Confident	87.7	Confident	18 Å²	18	67 Å²	67	9%	0.089	34%	0.344	C	S	.	.			trans	-94.6	70.7	-174.4	-60.6	-160.9	79.1	0	0	111.9	M364 Q367 I368 S434 I438 V439	M364-M436 HydrophobicContact CE-CE 3.97Å; M364-M436 HydrophobicContact CG-CE 3.93Å; M364-M436 HydrophobicContact CG-SD 4.06Å; Q367-M436 HydrophobicContact CB-SD 4.44Å; Q367-M436 HydrophobicContact CG-SD 4.2Å; I368-M436 HydrophobicContact CD1-SD 3.96Å; I368-M436 HydrophobicContact CG1-CG 4.48Å; I368-M436 HydrophobicContact CG1-SD 3.7Å; S434-M436 PolarHBondContact O-N 3.03Å; M436-I438 HydrophobicContact CE-CD1 4.46Å; M436-I438 PolarHBondContact O-N 2.98Å; M436-V439 PolarHBondContact O-N 3.34Å
437	N	81.2	Confident	87.7	Confident	137 Å²	137	64.3 Å²	64.3	73%	0.733	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-16.7	-179.8	-69.4	-45.1	0	0	0	115.1	N435 K440	N435-N437 PolarHBondContact O-N 3.21Å; N437-K440 WeakPolarHBondContact O-CE 3.21Å
438	I	85.8	Confident	87.8	Confident	38 Å²	38	69.9 Å²	69.9	20%	0.195	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-5.4	177.6	58.9	178.7	0	0	0	113.9	M436 T450 E452 A453 E456	M436-I438 HydrophobicContact CE-CD1 4.46Å; M436-I438 PolarHBondContact O-N 2.98Å; I438-T450 WeakPolarHBondContact O-CG2 3.48Å; I438-T450 PolarHBondContact O-N 3.46Å; I438-T450 PolarHBondContact O-OG1 3.34Å; I438-E452 HydrophobicContact CG2-CB 4.16Å; I438-A453 HydrophobicContact CB-CB 4.06Å; I438-A453 HydrophobicContact CD1-CB 4Å; I438-A453 HydrophobicContact CG1-CB 4Å; I438-E456 WeakPolarHBondContact CD1-OE2 3.32Å
439	V	90.7	Very high	87.9	Confident	4 Å²	4	66.6 Å²	66.6	2%	0.024	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126	173.2	-171.1	0	0	0	0	108.9	M364 I368 L431 M436 L447 L449 A453	M364-V439 HydrophobicContact CE-CG2 4.28Å; M364-V439 HydrophobicContact SD-CG2 3.82Å; I368-V439 HydrophobicContact CD1-CB 4.42Å; I368-V439 HydrophobicContact CD1-CG1 4.24Å; I368-V439 HydrophobicContact CD1-CG2 4.45Å; L431-V439 HydrophobicContact CD2-CB 4.21Å; L431-V439 HydrophobicContact CD2-CG1 3.76Å; M436-V439 PolarHBondContact O-N 3.34Å; V439-L447 HydrophobicContact CG1-CD1 3.49Å; V439-L447 VanDerWaalsContact CG1-CD1 3.49Å; V439-L447 HydrophobicContact CG1-CD2 4.39Å; V439-L447 HydrophobicContact CG1-CG 3.82Å; V439-L449 HydrophobicContact CG1-CD1 4.11Å; V439-L449 HydrophobicContact CG2-CG 4.42Å; V439-A453 HydrophobicContact CG2-CB 4.25Å
440	K	90.6	Very high	87.9	Confident	123 Å²	123	66.5 Å²	66.5	54%	0.535	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	151.8	-174.6	-65.4	-178	-178.3	178.3	0	111.6	N437 R448	N437-K440 WeakPolarHBondContact O-CE 3.21Å; K440-R448 PolarHBondContact N-O 3.46Å; K440-R448 WeakPolarHBondContact O-CB 3.46Å; K440-R448 PolarHBondContact O-N 2.89Å
441	W	91.8	Very high	87.8	Confident	60 Å²	60	68.5 Å²	68.5	23%	0.227	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	131.4	165.5	-162.5	-120.8	0	0	0	109.1	L411 I416 V427 E428 L431 G445	L411-W441 HydrophobicContact CD1-CH2 4.12Å; L411-W441 HydrophobicContact CD1-CZ3 3.71Å; L411-W441 HydrophobicContact CG-CZ3 4.23Å; I416-W441 HydrophobicContact CD1-CH2 3.91Å; I416-W441 HydrophobicContact CD1-CZ2 4.31Å; I416-W441 HydrophobicContact CG1-CH2 4.36Å; V427-W441 HydrophobicContact CB-CH2 4.35Å; V427-W441 HydrophobicContact CB-CZ3 4.36Å; V427-W441 HydrophobicContact CG1-CD2 4.24Å; V427-W441 HydrophobicContact CG1-CE3 3.61Å; V427-W441 HydrophobicContact CG1-CH2 3.88Å; V427-W441 HydrophobicContact CG1-CZ2 4.46Å; V427-W441 HydrophobicContact CG1-CZ3 3.42Å; V427-W441 VanDerWaalsContact CG1-CZ3 3.42Å; E428-W441 HydrophobicContact CB-CB 4.03Å; E428-W441 HydrophobicContact CB-CG 3.86Å; E428-W441 HydrophobicContact CG-CB 3.85Å; E428-W441 HydrophobicContact CG-CG 4.12Å; L431-W441 HydrophobicContact CD1-CB 3.95Å; L431-W441 HydrophobicContact CD1-CD2 4.49Å; L431-W441 HydrophobicContact CD1-CE3 3.92Å; W441-G445 VanDerWaalsContact CH2-C 3.45Å; W441-G445 WeakPolarHBondContact CH2-O 3.33Å; W441-G445 VanDerWaalsContact CZ2-C 3.44Å; W441-G445 VanDerWaalsContact CZ2-CA 3.44Å; W441-G445 WeakPolarHBondContact CZ2-O 3.38Å
442	S	90.4	Very high	87.7	Confident	11 Å²	11	72.6 Å²	72.6	8%	0.077	35%	0.353	C	S	.	.			trans	-90.4	155.1	173.7	63.6	0	0	0	0	111.3	Q444 G445 M446	S442-Q444 PolarHBondContact O-N 2.91Å; S442-Q444 VanDerWaalsContact O-N 3.07Å; S442-G445 PolarHBondContact O-N 2.98Å; S442-M446 WeakPolarHBondContact CB-O 3.44Å; S442-M446 PolarHBondContact N-O 2.99Å; S442-M446 WeakPolarHBondContact OG-CA 3.44Å; S442-M446 WeakPolarHBondContact OG-CB 3.23Å; S442-M446 PolarHBondContact OG-N 3.05Å; S442-M446 PolarHBondContact OG-O 3.1Å
443	S	84	Confident	87.9	Confident	133 Å²	133	63.7 Å²	63.7	93%	0.93	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.3	175.5	50.7	0	0	0	0	114.2
444	Q	85	Confident	88.2	Confident	144 Å²	144	57.1 Å²	57.1	67%	0.673	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	8.9	176.2	-66	178.4	-32.5	0	0	113.2	S442 M446	S442-Q444 PolarHBondContact O-N 2.91Å; S442-Q444 VanDerWaalsContact O-N 3.07Å; Q444-M446 HydrophobicContact CB-CE 3.68Å; Q444-M446 HydrophobicContact CG-CE 4.48Å
445	G	86.4	Confident	88.7	Confident	26 Å²	26	58.4 Å²	58.4	27%	0.268	30%	0.301	S	S	.	.	S	Bend	trans	75.7	24	178.5	0	0	0	0	0	114.8	W441 S442	W441-G445 VanDerWaalsContact CH2-C 3.45Å; W441-G445 WeakPolarHBondContact CH2-O 3.33Å; W441-G445 VanDerWaalsContact CZ2-C 3.44Å; W441-G445 VanDerWaalsContact CZ2-CA 3.44Å; W441-G445 WeakPolarHBondContact CZ2-O 3.38Å; S442-G445 PolarHBondContact O-N 2.98Å
446	M	92.1	Very high	89.6	Confident	33 Å²	33	55.6 Å²	55.6	16%	0.163	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	151.2	178.2	-62.7	-177.1	-80.7	0	0	112.5	N408 I409 S442 Q444 R448	N408-M446 HydrophobicContact CB-CB 4.15Å; N408-M446 HydrophobicContact CB-CE 3.97Å; N408-M446 HydrophobicContact CB-SD 3.84Å; I409-M446 WeakPolarHBondContact O-CB 3.5Å; S442-M446 WeakPolarHBondContact CB-O 3.44Å; S442-M446 PolarHBondContact N-O 2.99Å; S442-M446 WeakPolarHBondContact OG-CA 3.44Å; S442-M446 WeakPolarHBondContact OG-CB 3.23Å; S442-M446 PolarHBondContact OG-N 3.05Å; S442-M446 PolarHBondContact OG-O 3.1Å; Q444-M446 HydrophobicContact CB-CE 3.68Å; Q444-M446 HydrophobicContact CG-CE 4.48Å; M446-R448 PolarHBondContact O-N 2.88Å
447	L	93.8	Very high	90.2	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	114.8	172.4	-168.1	72.9	0	0	0	109.7	F361 L365 N408 I409 L411 L431 V439 L449	F361-L447 HydrophobicContact CE2-CD2 4.19Å; F361-L447 HydrophobicContact CZ-CD2 4.34Å; L365-L447 HydrophobicContact CD2-CD2 4.23Å; N408-L447 CarbonylContact C-O 3.48Å; N408-L447 WeakPolarHBondContact CA-O 3.19Å; I409-L447 HydrophobicContact CB-CB 4.43Å; I409-L447 PolarHBondContact N-O 2.96Å; I409-L447 PolarHBondContact O-N 3.42Å; L411-L447 HydrophobicContact CD2-CB 4.25Å; L411-L447 HydrophobicContact CD2-CD2 4.35Å; L411-L447 HydrophobicContact CG-CB 4.26Å; L431-L447 HydrophobicContact CD1-CD1 3.78Å; L431-L447 HydrophobicContact CD2-CD1 3.88Å; L431-L447 HydrophobicContact CG-CD1 4.41Å; V439-L447 HydrophobicContact CG1-CD1 3.49Å; V439-L447 VanDerWaalsContact CG1-CD1 3.49Å; V439-L447 HydrophobicContact CG1-CD2 4.39Å; V439-L447 HydrophobicContact CG1-CG 3.82Å; L447-L449 HydrophobicContact CB-CD1 4.44Å; L447-L449 HydrophobicContact CD2-CD1 3.8Å; L447-L449 HydrophobicContact CG-CD1 3.71Å
448	R	93.4	Very high	91	Very high	119 Å²	119	48.5 Å²	48.5	45%	0.449	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	107.7	-175.5	-176.9	168.5	-166.4	-170.3	1.9	110.5	A406 L407 N408 K440 M446	A406-R448 HydrophobicContact CB-CG 3.79Å; L407-R448 WeakPolarHBondContact O-CA 3.48Å; N408-R448 WeakPolarHBondContact OD1-CB 3.48Å; N408-R448 WeakPolarHBondContact OD1-CD 3.11Å; N408-R448 VanDerWaalsContact OD1-CG 3.23Å; N408-R448 WeakPolarHBondContact OD1-CG 3.01Å; K440-R448 PolarHBondContact N-O 3.46Å; K440-R448 WeakPolarHBondContact O-CB 3.46Å; K440-R448 PolarHBondContact O-N 2.89Å; M446-R448 PolarHBondContact O-N 2.88Å
449	L	93	Very high	91.4	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.1	178.2	-78.7	65.1	0	0	0	109.1	F361 M364 A406 L407 I409 V439 L447 A453 M454 L457	F361-L449 HydrophobicContact CD2-CD2 4.48Å; F361-L449 HydrophobicContact CE2-CD2 4.35Å; M364-L449 HydrophobicContact SD-CD2 4.23Å; A406-L449 CarbonylContact C-O 3.6Å; A406-L449 WeakPolarHBondContact CA-O 3.43Å; A406-L449 WeakPolarHBondContact CB-O 3.44Å; L407-L449 PolarHBondContact N-O 2.93Å; L407-L449 PolarHBondContact O-N 3.3Å; I409-L449 HydrophobicContact CD1-CD1 3.71Å; I409-L449 HydrophobicContact CD1-CD2 3.9Å; I409-L449 HydrophobicContact CD1-CG 4.43Å; I409-L449 HydrophobicContact CG1-CD1 4.46Å; V439-L449 HydrophobicContact CG1-CD1 4.11Å; V439-L449 HydrophobicContact CG2-CG 4.42Å; L447-L449 HydrophobicContact CB-CD1 4.44Å; L447-L449 HydrophobicContact CD2-CD1 3.8Å; L447-L449 HydrophobicContact CG-CD1 3.71Å; L449-A453 HydrophobicContact CB-CB 4.08Å; L449-A453 HydrophobicContact CG-CB 4.24Å; L449-M454 HydrophobicContact CB-CG 4.1Å; L449-M454 HydrophobicContact CB-SD 4.01Å; L449-M454 HydrophobicContact CD2-SD 3.53Å; L449-M454 VanDerWaalsContact CD2-SD 3.53Å; L449-M454 HydrophobicContact CG-SD 4.43Å; L449-L457 HydrophobicContact CD2-CD1 3.7Å
450	T	91.6	Very high	91.7	Very high	29 Å²	29	54.3 Å²	54.3	18%	0.178	28%	0.277	C	S	.	.			trans	-70.5	173.5	172.4	71.1	0	0	0	0	111.4	I438 E452 A453 M454	I438-T450 WeakPolarHBondContact O-CG2 3.48Å; I438-T450 PolarHBondContact O-N 3.46Å; I438-T450 PolarHBondContact O-OG1 3.34Å; T450-E452 WeakPolarHBondContact CB-OE2 3.48Å; T450-E452 PolarHBondContact O-N 3.37Å; T450-E452 PolarHBondContact OG1-N 3.26Å; T450-E452 PolarHBondContact OG1-OE2 3.05Å; T450-A453 PolarHBondContact O-N 3.28Å; T450-A453 PolarHBondContact OG1-N 3.48Å; T450-M454 PolarHBondContact O-N 3.18Å; T450-M454 VanDerWaalsContact O-N 3.1Å
451	Q	88.2	Confident	92	Very high	47 Å²	47	48.8 Å²	48.8	22%	0.22	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-35.1	175.9	-160.3	-157.4	-50	0	0	110.7	R403 M454 N455	R403-Q451 PolarHBondContact O-OE1 3.4Å; Q451-M454 PolarHBondContact O-N 3.15Å; Q451-N455 WeakPolarHBondContact O-CB 3.34Å; Q451-N455 PolarHBondContact O-N 3.19Å; Q451-N455 PolarHBondContact O-ND2 2.88Å; Q451-N455 PolarHBondContact O-OD1 3.39Å
452	E	90.4	Very high	92.2	Very high	95 Å²	95	46.2 Å²	46.2	44%	0.444	25%	0.245	S	C	.	.	H	α-helix	trans	-63.2	-50.1	178.3	-58	67.3	-140.1	0	0	110.7	I438 T450 M454 N455 E456	I438-E452 HydrophobicContact CG2-CB 4.16Å; T450-E452 WeakPolarHBondContact CB-OE2 3.48Å; T450-E452 PolarHBondContact O-N 3.37Å; T450-E452 PolarHBondContact OG1-N 3.26Å; T450-E452 PolarHBondContact OG1-OE2 3.05Å; E452-M454 VanDerWaalsContact C-N 3.33Å; E452-M454 PolarHBondContact O-N 3.02Å; E452-N455 WeakPolarHBondContact O-CB 3.11Å; E452-N455 PolarHBondContact O-N 3.46Å; E452-E456 WeakPolarHBondContact O-CG 3.47Å; E452-E456 PolarHBondContact O-N 3.1Å
453	A	91.7	Very high	92.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-56.9	-44.9	174.3	0	0	0	0	0	112	M364 I438 V439 L449 T450 N455 E456 L457	M364-A453 HydrophobicContact CE-CB 4.26Å; I438-A453 HydrophobicContact CB-CB 4.06Å; I438-A453 HydrophobicContact CD1-CB 4Å; I438-A453 HydrophobicContact CG1-CB 4Å; V439-A453 HydrophobicContact CG2-CB 4.25Å; L449-A453 HydrophobicContact CB-CB 4.08Å; L449-A453 HydrophobicContact CG-CB 4.24Å; T450-A453 PolarHBondContact O-N 3.28Å; T450-A453 PolarHBondContact OG1-N 3.48Å; A453-N455 VanDerWaalsContact C-N 3.33Å; A453-N455 PolarHBondContact O-N 3.05Å; A453-E456 PolarHBondContact O-N 3.05Å; A453-L457 WeakPolarHBondContact O-CG 3.37Å; A453-L457 PolarHBondContact O-N 3.37Å; A453-L457 VanDerWaalsContact O-N 3.1Å
454	M	93	Very high	93.1	Very high	6 Å²	6	45 Å²	45	3%	0.03	23%	0.232	C	C	.	.	H	α-helix	trans	-65.5	-33.9	175.8	-69	-58.1	-50.2	0	0	112.7	F392 A399 L407 L449 T450 Q451 E452 L457 F458	F392-M454 HydrophobicContact CE2-CE 4.34Å; A399-M454 HydrophobicContact CB-CE 3.98Å; L407-M454 HydrophobicContact CD1-CE 4.11Å; L407-M454 HydrophobicContact CD1-CG 4.02Å; L407-M454 HydrophobicContact CD1-SD 4.14Å; L407-M454 HydrophobicContact CG-CG 4.4Å; L449-M454 HydrophobicContact CB-CG 4.1Å; L449-M454 HydrophobicContact CB-SD 4.01Å; L449-M454 HydrophobicContact CD2-SD 3.53Å; L449-M454 VanDerWaalsContact CD2-SD 3.53Å; L449-M454 HydrophobicContact CG-SD 4.43Å; T450-M454 PolarHBondContact O-N 3.18Å; T450-M454 VanDerWaalsContact O-N 3.1Å; Q451-M454 PolarHBondContact O-N 3.15Å; E452-M454 VanDerWaalsContact C-N 3.33Å; E452-M454 PolarHBondContact O-N 3.02Å; M454-L457 HydrophobicContact SD-CD1 4.17Å; M454-F458 HydrophobicContact CE-CE2 3.89Å; M454-F458 WeakPolarHBondContact O-CD2 3.25Å
455	N	92.5	Very high	93.7	Very high	45 Å²	45	38.2 Å²	38.2	24%	0.241	20%	0.2	C	C	.	.	H	α-helix	trans	-66.4	-45.5	174.7	-62.1	-27.7	0	0	0	110.9	Q451 E452 A453 F458 Q459 M495	Q451-N455 WeakPolarHBondContact O-CB 3.34Å; Q451-N455 PolarHBondContact O-N 3.19Å; Q451-N455 PolarHBondContact O-ND2 2.88Å; Q451-N455 PolarHBondContact O-OD1 3.39Å; E452-N455 WeakPolarHBondContact O-CB 3.11Å; E452-N455 PolarHBondContact O-N 3.46Å; A453-N455 VanDerWaalsContact C-N 3.33Å; A453-N455 PolarHBondContact O-N 3.05Å; N455-F458 PolarHBondContact O-N 2.86Å; N455-F458 VanDerWaalsContact O-N 3.14Å; N455-Q459 VanDerWaalsContact O-CG 3.31Å; N455-Q459 WeakPolarHBondContact O-CG 3.36Å; N455-Q459 PolarHBondContact O-N 3.28Å; N455-Q459 PolarHBondContact O-NE2 3.11Å; N455-M495 HydrophobicContact CB-CE 4.36Å; N455-M495 WeakPolarHBondContact OD1-CE 3.07Å
456	E	93.6	Very high	94.2	Very high	100 Å²	100	37.8 Å²	37.8	47%	0.467	19%	0.193	S	C	.	.	H	α-helix	trans	-58.7	-45.3	179.2	-76	177	-166.6	0	0	111.9	I438 E452 A453 F458 Q459 P460	I438-E456 WeakPolarHBondContact CD1-OE2 3.32Å; E452-E456 WeakPolarHBondContact O-CG 3.47Å; E452-E456 PolarHBondContact O-N 3.1Å; A453-E456 PolarHBondContact O-N 3.05Å; E456-F458 PolarHBondContact O-N 2.83Å; E456-Q459 PolarHBondContact O-N 2.9Å; E456-Q459 VanDerWaalsContact O-N 3.15Å; E456-P460 WeakPolarHBondContact O-CD 3.39Å
457	L	95.9	Very high	94.4	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.026	20%	0.2	C	C	.	.	H	α-helix	trans	-56.9	-33.2	175.7	-69.1	177.9	0	0	0	113.3	V357 A360 F361 M364 F392 L449 A453 M454	V357-L457 HydrophobicContact CG1-CB 4.27Å; A360-L457 HydrophobicContact CB-CD2 3.9Å; A360-L457 WeakPolarHBondContact CB-O 3.04Å; A360-L457 WeakPolarHBondContact O-CD2 3.44Å; F361-L457 HydrophobicContact CB-CD1 4.32Å; F361-L457 HydrophobicContact CB-CD2 4.12Å; F361-L457 HydrophobicContact CD2-CD1 4.04Å; M364-L457 HydrophobicContact CB-CD2 4.32Å; M364-L457 HydrophobicContact CE-CD1 4.18Å; M364-L457 HydrophobicContact CE-CD2 3.61Å; M364-L457 HydrophobicContact CE-CG 3.8Å; M364-L457 HydrophobicContact SD-CD1 4.46Å; M364-L457 HydrophobicContact SD-CD2 4.26Å; F392-L457 HydrophobicContact CE2-CD1 3.84Å; F392-L457 HydrophobicContact CZ-CD1 4.03Å; L449-L457 HydrophobicContact CD2-CD1 3.7Å; A453-L457 WeakPolarHBondContact O-CG 3.37Å; A453-L457 PolarHBondContact O-N 3.37Å; A453-L457 VanDerWaalsContact O-N 3.1Å; M454-L457 HydrophobicContact SD-CD1 4.17Å
458	F	96.5	Very high	94.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-87.2	-24.3	179.6	-81.8	-112.7	0	0	0	113.5	V357 K396 A399 M454 N455 E456 T461 I462 F490 S493 M495	V357-F458 HydrophobicContact CG1-CD2 3.56Å; V357-F458 HydrophobicContact CG1-CE2 3.62Å; V357-F458 HydrophobicContact CG1-CG 4.08Å; V357-F458 HydrophobicContact CG1-CZ 4.14Å; V357-F458 HydrophobicContact CG2-CD1 4.13Å; V357-F458 HydrophobicContact CG2-CE1 4.44Å; V357-F458 HydrophobicContact CG2-CG 4.19Å; K396-F458 HydrophobicContact CG-CE1 4.5Å; K396-F458 HydrophobicContact CG-CE2 3.92Å; K396-F458 HydrophobicContact CG-CZ 3.55Å; A399-F458 HydrophobicContact CB-CE2 3.97Å; A399-F458 HydrophobicContact CB-CZ 3.89Å; M454-F458 HydrophobicContact CE-CE2 3.89Å; M454-F458 WeakPolarHBondContact O-CD2 3.25Å; N455-F458 PolarHBondContact O-N 2.86Å; N455-F458 VanDerWaalsContact O-N 3.14Å; E456-F458 PolarHBondContact O-N 2.83Å; F458-T461 PolarHBondContact O-N 3.47Å; F458-I462 HydrophobicContact CB-CD1 3.91Å; F458-I462 HydrophobicContact CB-CG1 4.43Å; F458-I462 HydrophobicContact CD1-CD1 4.09Å; F458-I462 WeakPolarHBondContact O-CB 3.15Å; F458-I462 WeakPolarHBondContact O-CG1 3.5Å; F458-I462 PolarHBondContact O-N 2.87Å; F458-F490 HydrophobicContact CD1-CE2 4.2Å; F458-F490 HydrophobicContact CD1-CZ 4.15Å; F458-F490 AromaticContact CE1-CE2 3.86Å; F458-F490 HydrophobicContact CE1-CE2 3.86Å; F458-F490 HydrophobicContact CE1-CZ 4.28Å; F458-S493 WeakPolarHBondContact CE1-OG 3.31Å; F458-M495 HydrophobicContact CB-CE 4Å; F458-M495 HydrophobicContact CD1-CB 3.56Å; F458-M495 HydrophobicContact CD1-CG 3.88Å; F458-M495 HydrophobicContact CD2-CE 4.4Å; F458-M495 HydrophobicContact CE1-CB 3.76Å; F458-M495 HydrophobicContact CE1-CG 3.81Å; F458-M495 HydrophobicContact CG-CB 4.26Å; F458-M495 HydrophobicContact CG-CE 4.08Å; F458-M495 HydrophobicContact CG-CG 4.29Å; F458-M495 HydrophobicContact CZ-CG 4.17Å
459	Q	95.3	Very high	94.5	Very high	91 Å²	91	35.9 Å²	35.9	43%	0.425	18%	0.184	S	C	.	.	H	α-helix	trans	-57.6	-49.4	-171.5	-71.1	-39.3	-83.8	0	0	113.8	N455 E456 T461 I462 S463	N455-Q459 VanDerWaalsContact O-CG 3.31Å; N455-Q459 WeakPolarHBondContact O-CG 3.36Å; N455-Q459 PolarHBondContact O-N 3.28Å; N455-Q459 PolarHBondContact O-NE2 3.11Å; E456-Q459 PolarHBondContact O-N 2.9Å; E456-Q459 VanDerWaalsContact O-N 3.15Å; Q459-T461 VanDerWaalsContact C-N 3.26Å; Q459-T461 PolarHBondContact O-N 3.29Å; Q459-I462 PolarHBondContact O-N 2.96Å; Q459-S463 VanDerWaalsContact O-CB 3.26Å; Q459-S463 WeakPolarHBondContact O-CB 3.42Å; Q459-S463 PolarHBondContact O-N 3.42Å; Q459-S463 PolarHBondContact O-OG 3.28Å
460	P	96.4	Very high	94.5	Very high	73 Å²	73	40.2 Å²	40.2	47%	0.474	21%	0.205	S	C	.	.	H	α-helix	trans	-59.5	-38.4	-176.7	-24.6	34.3	0	0	0	112.9	E456 N464	E456-P460 WeakPolarHBondContact O-CD 3.39Å; P460-N464 PolarHBondContact O-N 2.96Å; P460-N464 PolarHBondContact O-ND2 2.75Å
461	T	97	Very high	94.6	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.043	22%	0.217	C	C	.	.	H	α-helix	trans	-71.9	-51.9	179.6	-50.9	0	0	0	0	110.6	Y352 G353 G356 V357 F458 Q459 S463 N464 I465 F490	Y352-T461 WeakPolarHBondContact O-CG2 3.46Å; G353-T461 WeakPolarHBondContact O-CG2 3.39Å; G356-T461 WeakPolarHBondContact CA-OG1 3.27Å; V357-T461 HydrophobicContact CG2-CG2 4.27Å; V357-T461 PolarHBondContact N-OG1 2.76Å; F458-T461 PolarHBondContact O-N 3.47Å; Q459-T461 VanDerWaalsContact C-N 3.26Å; Q459-T461 PolarHBondContact O-N 3.29Å; T461-S463 PolarHBondContact O-N 3.21Å; T461-N464 PolarHBondContact O-N 3.41Å; T461-I465 HydrophobicContact CG2-CD1 4.36Å; T461-I465 WeakPolarHBondContact O-CG1 3.36Å; T461-I465 PolarHBondContact O-N 3.15Å; T461-I465 VanDerWaalsContact O-N 3.15Å; T461-F490 HydrophobicContact CG2-CE1 3.72Å; T461-F490 HydrophobicContact CG2-CZ 4.21Å
462	I	97.1	Very high	94.8	Very high	7 Å²	7	41.3 Å²	41.3	4%	0.036	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-45	-179.3	-72.6	-178.5	0	0	0	111.8	F458 Q459 N464 I465 V466 M495 L496 A499	F458-I462 HydrophobicContact CB-CD1 3.91Å; F458-I462 HydrophobicContact CB-CG1 4.43Å; F458-I462 HydrophobicContact CD1-CD1 4.09Å; F458-I462 WeakPolarHBondContact O-CB 3.15Å; F458-I462 WeakPolarHBondContact O-CG1 3.5Å; F458-I462 PolarHBondContact O-N 2.87Å; Q459-I462 PolarHBondContact O-N 2.96Å; I462-N464 VanDerWaalsContact C-N 3.28Å; I462-N464 PolarHBondContact O-N 2.8Å; I462-I465 PolarHBondContact O-N 3.12Å; I462-V466 HydrophobicContact CG2-CG2 4.21Å; I462-V466 WeakPolarHBondContact O-CG2 3.23Å; I462-V466 PolarHBondContact O-N 3.33Å; I462-M495 HydrophobicContact CD1-CB 3.92Å; I462-L496 HydrophobicContact CG1-CD1 4.19Å; I462-A499 HydrophobicContact CD1-CB 4.45Å; I462-A499 HydrophobicContact CG2-CB 3.27Å
463	S	96.5	Very high	94.8	Very high	64 Å²	64	38 Å²	38	45%	0.448	19%	0.193	S	C	.	.	H	α-helix	trans	-61.6	-37	-179.9	-66.4	0	0	0	0	112.1	Q459 T461 R467	Q459-S463 VanDerWaalsContact O-CB 3.26Å; Q459-S463 WeakPolarHBondContact O-CB 3.42Å; Q459-S463 PolarHBondContact O-N 3.42Å; Q459-S463 PolarHBondContact O-OG 3.28Å; T461-S463 PolarHBondContact O-N 3.21Å; S463-R467 WeakPolarHBondContact O-CB 3.34Å; S463-R467 PolarHBondContact O-N 3.02Å
464	N	96.3	Very high	94.7	Very high	55 Å²	55	40.4 Å²	40.4	29%	0.294	22%	0.217	S	C	.	.	H	α-helix	trans	-67.4	-41.2	174.6	-82.6	-49.7	0	0	0	112.6	Y352 P460 T461 I462 R467 H468	Y352-N464 HydrophobicContact CD1-CB 3.91Å; Y352-N464 HydrophobicContact CE1-CB 4.36Å; Y352-N464 HydrophobicContact CG-CB 4.15Å; P460-N464 PolarHBondContact O-N 2.96Å; P460-N464 PolarHBondContact O-ND2 2.75Å; T461-N464 PolarHBondContact O-N 3.41Å; I462-N464 VanDerWaalsContact C-N 3.28Å; I462-N464 PolarHBondContact O-N 2.8Å; N464-R467 PolarHBondContact OD1-NH2 3.28Å; N464-H468 VanDerWaalsContact O-CB 3.25Å; N464-H468 WeakPolarHBondContact O-CB 3.18Å; N464-H468 PolarHBondContact O-N 3.49Å
465	I	96.9	Very high	94.6	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-52.4	176.3	-63.6	170.9	0	0	0	110.7	V327 Y352 T461 I462 R467 H468 I469 F490 L496	V327-I465 HydrophobicContact CG1-CG2 4.38Å; V327-I465 HydrophobicContact CG2-CD1 3.85Å; V327-I465 HydrophobicContact CG2-CG1 3.83Å; Y352-I465 WeakPolarHBondContact O-CD1 3.13Å; T461-I465 HydrophobicContact CG2-CD1 4.36Å; T461-I465 WeakPolarHBondContact O-CG1 3.36Å; T461-I465 PolarHBondContact O-N 3.15Å; T461-I465 VanDerWaalsContact O-N 3.15Å; I462-I465 PolarHBondContact O-N 3.12Å; I465-R467 PolarHBondContact O-N 3.14Å; I465-H468 PolarHBondContact O-N 3.25Å; I465-I469 HydrophobicContact CG2-CD1 3.8Å; I465-I469 WeakPolarHBondContact O-CG1 3.33Å; I465-I469 PolarHBondContact O-N 2.82Å; I465-F490 HydrophobicContact CD1-CD1 3.83Å; I465-F490 HydrophobicContact CD1-CE1 3.66Å; I465-L496 HydrophobicContact CB-CD1 4.38Å; I465-L496 HydrophobicContact CD1-CD1 3.84Å; I465-L496 HydrophobicContact CD1-CD2 4.34Å; I465-L496 HydrophobicContact CG2-CD1 4.11Å
466	V	96.4	Very high	94.4	Very high	17 Å²	17	45.9 Å²	45.9	10%	0.103	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-50.1	-177.9	170.9	0	0	0	0	110.6	I462 H468 I469 E470 A499 V500 A503	I462-V466 HydrophobicContact CG2-CG2 4.21Å; I462-V466 WeakPolarHBondContact O-CG2 3.23Å; I462-V466 PolarHBondContact O-N 3.33Å; V466-H468 VanDerWaalsContact C-N 3.33Å; V466-H468 PolarHBondContact O-N 3Å; V466-I469 PolarHBondContact O-N 2.86Å; V466-E470 HydrophobicContact CG1-CG 4.37Å; V466-E470 WeakPolarHBondContact O-CG 3.49Å; V466-E470 PolarHBondContact O-N 3.3Å; V466-A499 HydrophobicContact CG2-CB 4.4Å; V466-V500 HydrophobicContact CG2-CG2 4.34Å; V466-A503 HydrophobicContact CG1-CB 3.46Å; V466-A503 VanDerWaalsContact CG1-CB 3.46Å
467	R	96.1	Very high	93.9	Very high	86 Å²	86	45.6 Å²	45.6	33%	0.325	25%	0.246	S	C	.	.	H	α-helix	trans	-56.7	-45	177.5	179.8	-173.5	56.6	67	6.7	111.9	S463 N464 I465 I469 E470 E471	S463-R467 WeakPolarHBondContact O-CB 3.34Å; S463-R467 PolarHBondContact O-N 3.02Å; N464-R467 PolarHBondContact OD1-NH2 3.28Å; I465-R467 PolarHBondContact O-N 3.14Å; R467-I469 VanDerWaalsContact C-N 3.34Å; R467-I469 PolarHBondContact O-N 2.78Å; R467-E470 PolarHBondContact O-N 2.73Å; R467-E471 WeakPolarHBondContact CD-OE1 3.16Å; R467-E471 HydrophobicContact CG-CG 4.35Å; R467-E471 WeakPolarHBondContact CG-OE1 3.29Å; R467-E471 IonicContact CZ-OE1 2.66Å; R467-E471 IonicContact NE-OE1 3.68Å; R467-E471 IonicContact NH1-OE1 3.55Å; R467-E471 PolarHBondContact NH1-OE1 2.99Å; R467-E471 IonicContact NH1-OE2 3.33Å; R467-E471 PolarHBondContact NH1-OE2 3.32Å; R467-E471 WeakPolarHBondContact O-CB 3.5Å; R467-E471 VanDerWaalsContact O-CG 3.3Å; R467-E471 WeakPolarHBondContact O-CG 3.14Å; R467-E471 PolarHBondContact O-N 3.05Å
468	H	95.3	Very high	93.4	Very high	24 Å²	24	45.4 Å²	45.4	11%	0.111	25%	0.245	C	C	.	.	H	α-helix	trans	-65.1	-36.8	-179.6	-172.7	64.7	0	0	0	112.3	L329 S348 G349 Y352 N464 I465 V466 L472	L329-H468 WeakPolarHBondContact CD1-CD2 3.3Å; S348-H468 PolarHBondContact OG-NE2 2.81Å; G349-H468 WeakPolarHBondContact CA-NE2 3.39Å; G349-H468 PolarHBondContact N-NE2 2.66Å; Y352-H468 HydrophobicContact CE2-CB 4.42Å; N464-H468 VanDerWaalsContact O-CB 3.25Å; N464-H468 WeakPolarHBondContact O-CB 3.18Å; N464-H468 PolarHBondContact O-N 3.49Å; I465-H468 PolarHBondContact O-N 3.25Å; V466-H468 VanDerWaalsContact C-N 3.33Å; V466-H468 PolarHBondContact O-N 3Å; H468-L472 WeakPolarHBondContact O-CB 3.12Å; H468-L472 PolarHBondContact O-N 2.88Å; H468-L472 VanDerWaalsContact O-N 3.1Å
469	I	94.4	Very high	92.7	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-68.9	-43	173.6	-59.2	162.7	0	0	0	111	A320 L329 I465 V466 R467 L472 M473 L484 L504	A320-I469 HydrophobicContact CB-CD1 4.37Å; L329-I469 HydrophobicContact CD1-CB 4.26Å; L329-I469 HydrophobicContact CD1-CG1 3.68Å; L329-I469 HydrophobicContact CD2-CG1 3.97Å; I465-I469 HydrophobicContact CG2-CD1 3.8Å; I465-I469 WeakPolarHBondContact O-CG1 3.33Å; I465-I469 PolarHBondContact O-N 2.82Å; V466-I469 PolarHBondContact O-N 2.86Å; R467-I469 VanDerWaalsContact C-N 3.34Å; R467-I469 PolarHBondContact O-N 2.78Å; I469-L472 PolarHBondContact O-N 3.48Å; I469-M473 HydrophobicContact CG2-CG 4.25Å; I469-M473 HydrophobicContact CG2-SD 3.98Å; I469-M473 WeakPolarHBondContact O-CB 3.38Å; I469-M473 WeakPolarHBondContact O-CG 3.37Å; I469-M473 PolarHBondContact O-N 2.82Å; I469-L484 HydrophobicContact CG2-CD1 3.6Å; I469-L504 HydrophobicContact CB-CD1 3.95Å; I469-L504 HydrophobicContact CD1-CD1 4.43Å; I469-L504 HydrophobicContact CG2-CD1 3.3Å
470	E	93.9	Very high	92	Very high	92 Å²	92	53.8 Å²	53.8	43%	0.43	29%	0.289	S	S	.	.	H	α-helix	trans	-61.5	-44.5	176.6	-72.3	174.5	149.4	0	0	111.9	V466 R467 L472 M473 G474 L504	V466-E470 HydrophobicContact CG1-CG 4.37Å; V466-E470 WeakPolarHBondContact O-CG 3.49Å; V466-E470 PolarHBondContact O-N 3.3Å; R467-E470 PolarHBondContact O-N 2.73Å; E470-L472 VanDerWaalsContact C-N 3.31Å; E470-L472 PolarHBondContact O-N 2.72Å; E470-M473 PolarHBondContact O-N 2.88Å; E470-G474 PolarHBondContact O-N 3.05Å; E470-L504 HydrophobicContact CG-CD2 3.81Å
471	E	93.4	Very high	91.6	Very high	94 Å²	94	50.8 Å²	50.8	44%	0.439	27%	0.269	S	S	.	.	H	α-helix	trans	-60.6	-37.6	175	-77.1	171.1	-167.7	0	0	112.6	R467	R467-E471 WeakPolarHBondContact CD-OE1 3.16Å; R467-E471 HydrophobicContact CG-CG 4.35Å; R467-E471 WeakPolarHBondContact CG-OE1 3.29Å; R467-E471 IonicContact CZ-OE1 2.66Å; R467-E471 IonicContact NE-OE1 3.68Å; R467-E471 IonicContact NH1-OE1 3.55Å; R467-E471 PolarHBondContact NH1-OE1 2.99Å; R467-E471 IonicContact NH1-OE2 3.33Å; R467-E471 PolarHBondContact NH1-OE2 3.32Å; R467-E471 WeakPolarHBondContact O-CB 3.5Å; R467-E471 VanDerWaalsContact O-CG 3.3Å; R467-E471 WeakPolarHBondContact O-CG 3.14Å; R467-E471 PolarHBondContact O-N 3.05Å
472	L	92.4	Very high	91.1	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.026	28%	0.284	C	S	.	.	H	α-helix	trans	-71	-46.2	175.1	-177.9	64	0	0	0	111.7	L329 V331 Y345 H468 I469 E470 G474 K475 V478	L329-L472 HydrophobicContact CB-CD2 3.59Å; L329-L472 HydrophobicContact CD1-CB 4.28Å; L329-L472 HydrophobicContact CD1-CD2 3.55Å; L329-L472 HydrophobicContact CG-CD2 4.24Å; V331-L472 HydrophobicContact CG2-CD1 4.12Å; V331-L472 HydrophobicContact CG2-CD2 3.83Å; V331-L472 HydrophobicContact CG2-CG 4.15Å; Y345-L472 HydrophobicContact CD1-CD1 3.51Å; Y345-L472 HydrophobicContact CE1-CD1 3.73Å; Y345-L472 HydrophobicContact CG-CD1 4.21Å; H468-L472 WeakPolarHBondContact O-CB 3.12Å; H468-L472 PolarHBondContact O-N 2.88Å; H468-L472 VanDerWaalsContact O-N 3.1Å; I469-L472 PolarHBondContact O-N 3.48Å; E470-L472 VanDerWaalsContact C-N 3.31Å; E470-L472 PolarHBondContact O-N 2.72Å; L472-G474 PolarHBondContact O-N 3.02Å; L472-K475 WeakPolarHBondContact O-CB 3.45Å; L472-K475 VanDerWaalsContact O-CG 3.3Å; L472-K475 WeakPolarHBondContact O-CG 3.39Å; L472-K475 PolarHBondContact O-N 3.32Å; L472-K475 VanDerWaalsContact O-N 3.11Å; L472-V478 HydrophobicContact CD1-CG2 4.06Å; L472-V478 HydrophobicContact CG-CG1 4.32Å; L472-V478 HydrophobicContact CG-CG2 4.45Å; L472-V478 WeakPolarHBondContact O-CB 3.42Å
473	M	90.4	Very high	90.7	Very high	25 Å²	25	54.6 Å²	54.6	12%	0.123	28%	0.282	C	S	.	.	H	α-helix	trans	-66.1	-22.9	178.5	-70.6	-175.9	74.7	0	0	113.1	I469 E470 K475 V481 L504 T507 C508	I469-M473 HydrophobicContact CG2-CG 4.25Å; I469-M473 HydrophobicContact CG2-SD 3.98Å; I469-M473 WeakPolarHBondContact O-CB 3.38Å; I469-M473 WeakPolarHBondContact O-CG 3.37Å; I469-M473 PolarHBondContact O-N 2.82Å; E470-M473 PolarHBondContact O-N 2.88Å; M473-K475 VanDerWaalsContact C-N 3.29Å; M473-K475 PolarHBondContact O-N 3.01Å; M473-V481 HydrophobicContact CE-CB 4.28Å; M473-V481 HydrophobicContact CE-CG1 4.13Å; M473-L504 HydrophobicContact SD-CD1 4.19Å; M473-L504 HydrophobicContact SD-CD2 3.85Å; M473-T507 HydrophobicContact CE-CG2 3.69Å; M473-C508 HydrophobicContact CE-CB 4.14Å
474	G	90.6	Very high	90.6	Very high	50 Å²	50	51.6 Å²	51.6	52%	0.515	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-18.3	172.4	0	0	0	0	0	114.9	E470 L472	E470-G474 PolarHBondContact O-N 3.05Å; L472-G474 PolarHBondContact O-N 3.02Å
475	K	90.4	Very high	90.5	Very high	87 Å²	87	49 Å²	49	38%	0.378	25%	0.247	S	C	.	.	S	Bend	trans	-67.7	136	-177.6	-59.3	-61	-179.3	-175.6	0	111.5	Y345 L472 M473 E477 V478 R479	Y345-K475 HydrophobicContact CE2-CG 4.37Å; L472-K475 WeakPolarHBondContact O-CB 3.45Å; L472-K475 VanDerWaalsContact O-CG 3.3Å; L472-K475 WeakPolarHBondContact O-CG 3.39Å; L472-K475 PolarHBondContact O-N 3.32Å; L472-K475 VanDerWaalsContact O-N 3.11Å; M473-K475 VanDerWaalsContact C-N 3.29Å; M473-K475 PolarHBondContact O-N 3.01Å; K475-E477 WeakPolarHBondContact CB-OE2 3.41Å; K475-E477 PolarHBondContact O-N 3.12Å; K475-E477 VanDerWaalsContact O-N 3.15Å; K475-V478 HydrophobicContact CB-CB 4.26Å; K475-V478 HydrophobicContact CB-CG2 3.93Å; K475-V478 PolarHBondContact O-N 3.12Å; K475-R479 PolarHBondContact O-N 3.06Å
476	P	87.3	Confident	90.5	Very high	80 Å²	80	48.9 Å²	48.9	52%	0.519	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-51.8	-37.4	179.9	-28	35.6	0	0	0	114.6	V478	P476-V478 VanDerWaalsContact C-N 3.27Å; P476-V478 PolarHBondContact O-N 2.9Å
477	E	83.1	Confident	90.5	Very high	93 Å²	93	48.1 Å²	48.1	44%	0.435	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-68.7	-25.4	-179.6	-55.1	79.1	-174.7	0	0	112.6	R316 Y345 K475	R316-E477 PolarHBondContact NH1-O 3.32Å; Y345-E477 HydrophobicContact CD2-CB 4.21Å; Y345-E477 HydrophobicContact CD2-CG 4.47Å; K475-E477 WeakPolarHBondContact CB-OE2 3.41Å; K475-E477 PolarHBondContact O-N 3.12Å; K475-E477 VanDerWaalsContact O-N 3.15Å
478	V	85.2	Confident	90.4	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-105.4	0.2	-173.7	-169.3	0	0	0	0	111.9	V318 V331 Y345 L472 K475 P476 V481	V318-V478 HydrophobicContact CG2-CG1 4.34Å; V331-V478 HydrophobicContact CB-CG2 4.47Å; V331-V478 HydrophobicContact CG1-CB 4.41Å; V331-V478 HydrophobicContact CG1-CG1 3.85Å; V331-V478 HydrophobicContact CG1-CG2 4.17Å; V331-V478 HydrophobicContact CG2-CG1 3.87Å; V331-V478 HydrophobicContact CG2-CG2 3.89Å; Y345-V478 HydrophobicContact CD2-CG2 4.25Å; Y345-V478 HydrophobicContact CG-CG2 4.09Å; L472-V478 HydrophobicContact CD1-CG2 4.06Å; L472-V478 HydrophobicContact CG-CG1 4.32Å; L472-V478 HydrophobicContact CG-CG2 4.45Å; L472-V478 WeakPolarHBondContact O-CB 3.42Å; K475-V478 HydrophobicContact CB-CB 4.26Å; K475-V478 HydrophobicContact CB-CG2 3.93Å; K475-V478 PolarHBondContact O-N 3.12Å; P476-V478 VanDerWaalsContact C-N 3.27Å; P476-V478 PolarHBondContact O-N 2.9Å; V478-V481 HydrophobicContact CG1-CG2 3.81Å; V478-V481 VanDerWaalsContact O-CG2 3.23Å; V478-V481 WeakPolarHBondContact O-CG2 3.16Å
479	R	81.9	Confident	90.2	Very high	153 Å²	153	44.5 Å²	44.5	58%	0.577	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	152.1	173	-69.6	-178.5	179.4	-175.7	-0.5	111.6	R316 K475 V481	R316-R479 WeakPolarHBondContact CD-O 3.18Å; R316-R479 PolarHBondContact NH1-O 3.33Å; K475-R479 PolarHBondContact O-N 3.06Å; R479-V481 VanDerWaalsContact C-N 3.32Å; R479-V481 PolarHBondContact O-N 2.88Å
480	C	82.1	Confident	90.3	Very high	115 Å²	115	45 Å²	45	78%	0.777	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	30.7	-179.5	-50.1	0	0	0	0	114.6	R482	C480-R482 PolarHBondContact O-N 3.18Å
481	V	87.4	Confident	90.3	Very high	9 Å²	9	40.6 Å²	40.6	6%	0.055	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	118.7	164.7	158.6	0	0	0	0	109.8	R316 V318 M473 V478 R479 F483 C508	R316-V481 HydrophobicContact CB-CG2 4.09Å; R316-V481 WeakPolarHBondContact O-CA 3.18Å; V318-V481 HydrophobicContact CB-CG1 4.48Å; V318-V481 HydrophobicContact CG2-CB 4.45Å; V318-V481 HydrophobicContact CG2-CG1 3.89Å; V318-V481 HydrophobicContact CG2-CG2 3.78Å; M473-V481 HydrophobicContact CE-CB 4.28Å; M473-V481 HydrophobicContact CE-CG1 4.13Å; V478-V481 HydrophobicContact CG1-CG2 3.81Å; V478-V481 VanDerWaalsContact O-CG2 3.23Å; V478-V481 WeakPolarHBondContact O-CG2 3.16Å; R479-V481 VanDerWaalsContact C-N 3.32Å; R479-V481 PolarHBondContact O-N 2.88Å; V481-F483 VanDerWaalsContact CG1-O 3.32Å; V481-F483 WeakPolarHBondContact CG1-O 3.43Å; V481-C508 HydrophobicContact CG1-CB 4.36Å
482	R	86.9	Confident	90.3	Very high	94 Å²	94	39.4 Å²	39.4	36%	0.355	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-34.5	-177.8	-175.1	176.4	165.1	-165.7	-7.3	112	E310 D315 R316 C480 R509	E310-R482 PolarHBondContact O-NH1 3.14Å; E310-R482 PolarHBondContact O-NH2 2.91Å; E310-R482 VanDerWaalsContact O-NH2 3.17Å; E310-R482 IonicContact OE2-NH2 3.7Å; D315-R482 IonicContact OD1-NH1 2.66Å; D315-R482 IonicContact OD2-CZ 2.7Å; D315-R482 IonicContact OD2-NH1 3.3Å; D315-R482 PolarHBondContact OD2-NH1 3.37Å; R316-R482 PolarHBondContact O-N 3.11Å; C480-R482 PolarHBondContact O-N 3.18Å; R482-R509 PolarHBondContact O-N 3.08Å
483	F	88.9	Confident	90.4	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.2	-177.9	-61.4	-99	0	0	0	112.2	L307 L311 Y317 V318 V481 F485 R509 I511	L307-F483 HydrophobicContact CD1-CE1 3.78Å; L307-F483 HydrophobicContact CG-CE1 4.44Å; L311-F483 HydrophobicContact CD1-CD2 4.41Å; L311-F483 HydrophobicContact CD1-CE2 4.22Å; L311-F483 HydrophobicContact CD2-CD2 3.57Å; L311-F483 HydrophobicContact CD2-CE2 3.37Å; L311-F483 HydrophobicContact CD2-CZ 4.42Å; L311-F483 HydrophobicContact CG-CD2 4.21Å; L311-F483 HydrophobicContact CG-CE2 3.69Å; L311-F483 HydrophobicContact CG-CZ 4.31Å; Y317-F483 VanDerWaalsContact CA-O 3.22Å; Y317-F483 WeakPolarHBondContact CA-O 3.4Å; Y317-F483 WeakPolarHBondContact CB-O 3.49Å; V318-F483 PolarHBondContact N-O 3.28Å; V481-F483 VanDerWaalsContact CG1-O 3.32Å; V481-F483 WeakPolarHBondContact CG1-O 3.43Å; F483-F485 HydrophobicContact CB-CD2 4.49Å; F483-F485 HydrophobicContact CB-CE2 3.99Å; F483-R509 WeakPolarHBondContact CA-O 3.12Å; F483-R509 HydrophobicContact CD1-CB 4.05Å; F483-R509 HydrophobicContact CD1-CG 4.16Å; F483-R509 HydrophobicContact CE1-CB 4.41Å; F483-R509 HydrophobicContact CE1-CG 4.27Å; F483-I511 HydrophobicContact CD1-CG1 4.04Å
484	L	93.7	Very high	90.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	115.6	166.6	-178.3	143.7	0	0	0	108.9	V318 A320 I469 L486 V500 L504 R509 I510 I511	V318-L484 HydrophobicContact CB-CD1 4.41Å; V318-L484 HydrophobicContact CB-CG 4.46Å; V318-L484 HydrophobicContact CG1-CD1 4.32Å; V318-L484 WeakPolarHBondContact O-CA 3.37Å; A320-L484 HydrophobicContact CB-CD2 4.36Å; I469-L484 HydrophobicContact CG2-CD1 3.6Å; L484-L486 HydrophobicContact CD2-CB 3.94Å; L484-V500 HydrophobicContact CD2-CG1 4.22Å; L484-L504 HydrophobicContact CD1-CD1 4.08Å; L484-R509 PolarHBondContact N-O 3.19Å; L484-I510 HydrophobicContact CB-CG1 4.45Å; L484-I510 HydrophobicContact CD2-CG1 4.43Å; L484-I510 HydrophobicContact CD2-CG2 4.1Å; L484-I510 CarbonylContact O-C 3.19Å; L484-I510 WeakPolarHBondContact O-CA 3.37Å; L484-I511 PolarHBondContact O-N 2.87Å
485	F	94.6	Very high	90.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	106.6	173.2	-67	-90.1	0	0	0	108.8	C250 L307 W308 Y317 V318 V319 A320 F483 V487 I511	C250-F485 HydrophobicContact CB-CD1 3.77Å; C250-F485 HydrophobicContact CB-CE1 3.87Å; C250-F485 HydrophobicContact CB-CG 4.31Å; C250-F485 HydrophobicContact CB-CZ 4.49Å; L307-F485 HydrophobicContact CD2-CE1 3.78Å; L307-F485 HydrophobicContact CD2-CZ 4.02Å; W308-F485 HydrophobicContact CZ3-CE2 4.35Å; W308-F485 HydrophobicContact CZ3-CZ 4.28Å; Y317-F485 AromaticContact CD2-CD2 3.72Å; Y317-F485 HydrophobicContact CD2-CD2 3.72Å; Y317-F485 AromaticContact CD2-CE2 3.8Å; Y317-F485 HydrophobicContact CD2-CE2 3.8Å; Y317-F485 HydrophobicContact CE2-CD2 4.43Å; Y317-F485 HydrophobicContact CE2-CE2 4.48Å; Y317-F485 HydrophobicContact CG-CD2 4.4Å; Y317-F485 HydrophobicContact CG-CE2 4.14Å; V318-F485 PolarHBondContact O-N 3.33Å; V319-F485 HydrophobicContact CG2-CB 4.37Å; A320-F485 PolarHBondContact N-O 2.91Å; F483-F485 HydrophobicContact CB-CD2 4.49Å; F483-F485 HydrophobicContact CB-CE2 3.99Å; F485-V487 HydrophobicContact CB-CG1 4.19Å; F485-I511 CarbonylContact C-O 3.57Å; F485-I511 WeakPolarHBondContact CA-O 3.33Å; F485-I511 HydrophobicContact CD1-CB 3.89Å; F485-I511 HydrophobicContact CD1-CG2 3.76Å; F485-I511 HydrophobicContact CE1-CB 4.01Å; F485-I511 HydrophobicContact CE1-CG1 4.48Å; F485-I511 HydrophobicContact CE1-CG2 3.71Å
486	L	96.4	Very high	91	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	109.5	176.1	-176.8	71.3	0	0	0	108.2	A320 C322 L484 A491 Q497 V500 I510 I511 I512	A320-L486 HydrophobicContact CB-CD1 4.21Å; C322-L486 HydrophobicContact CB-CD1 4.48Å; C322-L486 VanDerWaalsContact SG-CD1 3.51Å; L484-L486 HydrophobicContact CD2-CB 3.94Å; L486-A491 HydrophobicContact CD2-CB 4.35Å; L486-A491 HydrophobicContact CG-CB 3.82Å; L486-Q497 HydrophobicContact CD2-CG 4.47Å; L486-V500 HydrophobicContact CD1-CG2 4.42Å; L486-V500 HydrophobicContact CD2-CB 4.38Å; L486-V500 HydrophobicContact CD2-CG1 4.42Å; L486-V500 HydrophobicContact CD2-CG2 4.32Å; L486-I510 HydrophobicContact CB-CG2 4.45Å; L486-I511 PolarHBondContact N-O 3.36Å; L486-I512 HydrophobicContact CB-CG1 4.08Å; L486-I512 HydrophobicContact CD2-CD1 4.07Å; L486-I512 HydrophobicContact CD2-CG1 4.45Å
487	V	96.4	Very high	91.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	177.5	-170.5	-55	0	0	0	0	111.6	A246 V319 A320 D321 C322 F485 A491 P513 V516 T519 I520	A246-V487 HydrophobicContact CB-CB 4.32Å; A246-V487 HydrophobicContact CB-CG1 4.47Å; A246-V487 HydrophobicContact CB-CG2 3.73Å; V319-V487 HydrophobicContact CG1-CG1 4.44Å; V319-V487 HydrophobicContact CG1-CG2 3.61Å; A320-V487 PolarHBondContact O-N 2.95Å; D321-V487 VanDerWaalsContact CA-CG2 3.5Å; D321-V487 HydrophobicContact CB-CG2 3.75Å; C322-V487 PolarHBondContact N-O 2.89Å; F485-V487 HydrophobicContact CB-CG1 4.19Å; V487-A491 VanDerWaalsContact O-CB 3.23Å; V487-A491 WeakPolarHBondContact O-CB 3.24Å; V487-P513 HydrophobicContact CG1-CG 4.11Å; V487-V516 VanDerWaalsContact CA-CG2 3.49Å; V487-V516 HydrophobicContact CB-CG2 4.26Å; V487-T519 HydrophobicContact CB-CG2 4.27Å; V487-T519 HydrophobicContact CG1-CG2 3.99Å; V487-I520 HydrophobicContact CG2-CD1 4.39Å
488	G	93.9	Very high	91.9	Very high	2 Å²	2	33.6 Å²	33.6	2%	0.021	17%	0.171	C	C	.	.	S	Bend	trans	91.1	170.9	179.7	0	0	0	0	0	114.6	D321 C322 F490 A491	D321-G488 WeakPolarHBondContact OD1-CA 3.42Å; C322-G488 CarbonylContact O-C 3.59Å; G488-F490 VanDerWaalsContact C-N 3.34Å; G488-F490 PolarHBondContact O-N 3.28Å; G488-A491 WeakPolarHBondContact O-CB 3.41Å; G488-A491 PolarHBondContact O-N 3.43Å
489	G	92	Very high	92.3	Very high	33 Å²	33	34.8 Å²	34.8	34%	0.34	18%	0.181	S	C	.	.	S	Bend	trans	-68.2	-27	-174.4	0	0	0	0	0	114.6	C322 E492	C322-G489 PolarHBondContact O-N 2.66Å; G489-E492 WeakPolarHBondContact O-CB 3.43Å
490	F	95.4	Very high	92.9	Very high	10 Å²	10	27.5 Å²	27.5	4%	0.044	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-83	-20.8	177.2	-166.6	-149.9	0	0	0	112.5	C322 A354 V357 F458 T461 I465 G488 E492 S493 L496	C322-F490 HydrophobicContact CB-CB 4.12Å; C322-F490 WeakPolarHBondContact O-CA 3.44Å; C322-F490 WeakPolarHBondContact O-CB 3.44Å; C322-F490 PolarHBondContact O-N 3.32Å; A354-F490 HydrophobicContact CB-CB 4.02Å; A354-F490 HydrophobicContact CB-CD1 4.23Å; A354-F490 HydrophobicContact CB-CD2 3.6Å; A354-F490 HydrophobicContact CB-CE2 4.07Å; A354-F490 HydrophobicContact CB-CG 3.7Å; V357-F490 HydrophobicContact CG2-CE2 4.41Å; V357-F490 HydrophobicContact CG2-CZ 3.97Å; F458-F490 HydrophobicContact CD1-CE2 4.2Å; F458-F490 HydrophobicContact CD1-CZ 4.15Å; F458-F490 AromaticContact CE1-CE2 3.86Å; F458-F490 HydrophobicContact CE1-CE2 3.86Å; F458-F490 HydrophobicContact CE1-CZ 4.28Å; T461-F490 HydrophobicContact CG2-CE1 3.72Å; T461-F490 HydrophobicContact CG2-CZ 4.21Å; I465-F490 HydrophobicContact CD1-CD1 3.83Å; I465-F490 HydrophobicContact CD1-CE1 3.66Å; G488-F490 VanDerWaalsContact C-N 3.34Å; G488-F490 PolarHBondContact O-N 3.28Å; F490-E492 PolarHBondContact O-N 3.3Å; F490-E492 VanDerWaalsContact O-N 3.16Å; F490-S493 WeakPolarHBondContact O-CB 3.5Å; F490-S493 PolarHBondContact O-N 2.92Å; F490-L496 HydrophobicContact CB-CD2 4.41Å; F490-L496 HydrophobicContact CD1-CD2 3.75Å; F490-L496 HydrophobicContact CE1-CD2 4.17Å; F490-L496 HydrophobicContact CG-CD2 4.03Å
491	A	95.3	Very high	93.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-63	-15	170.6	0	0	0	0	0	113.5	L486 V487 G488 S493 Q497 V516	L486-A491 HydrophobicContact CD2-CB 4.35Å; L486-A491 HydrophobicContact CG-CB 3.82Å; V487-A491 VanDerWaalsContact O-CB 3.23Å; V487-A491 WeakPolarHBondContact O-CB 3.24Å; G488-A491 WeakPolarHBondContact O-CB 3.41Å; G488-A491 PolarHBondContact O-N 3.43Å; A491-S493 PolarHBondContact O-N 3.42Å; A491-Q497 WeakPolarHBondContact O-CG 3.29Å; A491-Q497 PolarHBondContact O-NE2 3.4Å; A491-V516 HydrophobicContact CB-CG1 4.27Å; A491-V516 HydrophobicContact CB-CG2 3.91Å
492	E	92.2	Very high	93.8	Very high	70 Å²	70	33.3 Å²	33.3	33%	0.327	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-65.1	-20.9	168	-63	-177.2	163	0	0	113	R397 G489 F490 P494 V516	R397-E492 IonicContact CZ-OE2 3.95Å; R397-E492 VanDerWaalsContact CZ-OE2 3.28Å; R397-E492 IonicContact NH1-OE2 2.79Å; R397-E492 PolarHBondContact NH1-OE2 2.69Å; R397-E492 IonicContact NH2-OE2 3.16Å; R397-E492 PolarHBondContact NH2-OE2 3.26Å; G489-E492 WeakPolarHBondContact O-CB 3.43Å; F490-E492 PolarHBondContact O-N 3.3Å; F490-E492 VanDerWaalsContact O-N 3.16Å; E492-P494 VanDerWaalsContact O-CD 3.32Å; E492-P494 WeakPolarHBondContact O-CD 3.44Å; E492-V516 HydrophobicContact CB-CG1 4.35Å; E492-V516 HydrophobicContact CG-CG1 3.44Å; E492-V516 VanDerWaalsContact CG-CG1 3.44Å
493	S	94.1	Very high	94.1	Very high	13 Å²	13	30.4 Å²	30.4	9%	0.091	16%	0.162	C	C	.	.			trans	-75.5	119.2	-173.5	-173.2	0	0	0	0	112.4	F458 F490 A491 M495 L496 Q497	F458-S493 WeakPolarHBondContact CE1-OG 3.31Å; F490-S493 WeakPolarHBondContact O-CB 3.5Å; F490-S493 PolarHBondContact O-N 2.92Å; A491-S493 PolarHBondContact O-N 3.42Å; S493-M495 PolarHBondContact O-N 3.21Å; S493-M495 VanDerWaalsContact O-N 3.1Å; S493-M495 PolarHBondContact OG-N 2.67Å; S493-L496 PolarHBondContact O-N 3.43Å; S493-L496 VanDerWaalsContact O-N 3.09Å; S493-Q497 WeakPolarHBondContact O-CG 3.45Å; S493-Q497 PolarHBondContact O-N 3.04Å
494	P	93.3	Very high	94.3	Very high	43 Å²	43	30.6 Å²	30.6	28%	0.279	16%	0.163	S	C	.	.	H	α-helix	trans	-60.1	-24.2	174.7	-22.7	34.2	0	0	0	113.2	E492 K498	E492-P494 VanDerWaalsContact O-CD 3.32Å; E492-P494 WeakPolarHBondContact O-CD 3.44Å; P494-K498 WeakPolarHBondContact O-CB 3.45Å; P494-K498 PolarHBondContact O-N 3.48Å; P494-K498 VanDerWaalsContact O-N 3.13Å
495	M	94.4	Very high	94	Very high	11 Å²	11	31.9 Å²	31.9	5%	0.054	18%	0.176	C	C	.	.	H	α-helix	trans	-63.6	-51.2	174.4	-63.2	-68.7	-71.2	0	0	111.2	A399 P401 N455 F458 I462 S493 A499	A399-M495 HydrophobicContact CB-CG 4.14Å; P401-M495 HydrophobicContact CB-SD 4.46Å; P401-M495 VanDerWaalsContact CD-SD 3.57Å; P401-M495 HydrophobicContact CG-SD 3.68Å; N455-M495 HydrophobicContact CB-CE 4.36Å; N455-M495 WeakPolarHBondContact OD1-CE 3.07Å; F458-M495 HydrophobicContact CB-CE 4Å; F458-M495 HydrophobicContact CD1-CB 3.56Å; F458-M495 HydrophobicContact CD1-CG 3.88Å; F458-M495 HydrophobicContact CD2-CE 4.4Å; F458-M495 HydrophobicContact CE1-CB 3.76Å; F458-M495 HydrophobicContact CE1-CG 3.81Å; F458-M495 HydrophobicContact CG-CB 4.26Å; F458-M495 HydrophobicContact CG-CE 4.08Å; F458-M495 HydrophobicContact CG-CG 4.29Å; F458-M495 HydrophobicContact CZ-CG 4.17Å; I462-M495 HydrophobicContact CD1-CB 3.92Å; S493-M495 PolarHBondContact O-N 3.21Å; S493-M495 VanDerWaalsContact O-N 3.1Å; S493-M495 PolarHBondContact OG-N 2.67Å; M495-A499 PolarHBondContact O-N 3.23Å
496	L	95.9	Very high	93.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.8	-47.9	178	179.4	62.7	0	0	0	111	C322 I462 I465 F490 S493 K498 A499 V500	C322-L496 HydrophobicContact CB-CD2 3.73Å; I462-L496 HydrophobicContact CG1-CD1 4.19Å; I465-L496 HydrophobicContact CB-CD1 4.38Å; I465-L496 HydrophobicContact CD1-CD1 3.84Å; I465-L496 HydrophobicContact CD1-CD2 4.34Å; I465-L496 HydrophobicContact CG2-CD1 4.11Å; F490-L496 HydrophobicContact CB-CD2 4.41Å; F490-L496 HydrophobicContact CD1-CD2 3.75Å; F490-L496 HydrophobicContact CE1-CD2 4.17Å; F490-L496 HydrophobicContact CG-CD2 4.03Å; S493-L496 PolarHBondContact O-N 3.43Å; S493-L496 VanDerWaalsContact O-N 3.09Å; L496-K498 VanDerWaalsContact C-N 3.34Å; L496-K498 PolarHBondContact O-N 2.81Å; L496-A499 PolarHBondContact O-N 2.79Å; L496-A499 VanDerWaalsContact O-N 3.09Å; L496-V500 HydrophobicContact CD1-CG2 3.84Å; L496-V500 HydrophobicContact CG-CG2 4.19Å; L496-V500 WeakPolarHBondContact O-CG2 3.33Å; L496-V500 PolarHBondContact O-N 3.23Å
497	Q	95.4	Very high	93.2	Very high	38 Å²	38	48.1 Å²	48.1	18%	0.178	25%	0.247	C	C	.	.	H	α-helix	trans	-51.9	-50.6	179.7	-69.7	-179.8	5.2	0	0	112.1	L261 L486 A491 S493 A499 V500 Q501 I512	L261-Q497 HydrophobicContact CD1-CB 3.93Å; L261-Q497 HydrophobicContact CD1-CG 4.41Å; L486-Q497 HydrophobicContact CD2-CG 4.47Å; A491-Q497 WeakPolarHBondContact O-CG 3.29Å; A491-Q497 PolarHBondContact O-NE2 3.4Å; S493-Q497 WeakPolarHBondContact O-CG 3.45Å; S493-Q497 PolarHBondContact O-N 3.04Å; Q497-A499 VanDerWaalsContact C-N 3.34Å; Q497-A499 PolarHBondContact O-N 2.93Å; Q497-V500 PolarHBondContact O-N 2.84Å; Q497-Q501 VanDerWaalsContact O-CB 3.23Å; Q497-Q501 WeakPolarHBondContact O-CB 3.21Å; Q497-Q501 PolarHBondContact O-N 3Å; Q497-I512 HydrophobicContact CB-CD1 4.43Å; Q497-I512 HydrophobicContact CG-CD1 3.57Å
498	K	93.8	Very high	92.8	Very high	113 Å²	113	48.6 Å²	48.6	49%	0.491	25%	0.251	S	S	.	.	H	α-helix	trans	-66.2	-34.5	180	-170.2	177.2	-173.1	172.4	0	112.9	P401 P494 L496 K502	P401-K498 HydrophobicContact CB-CD 3.4Å; P401-K498 HydrophobicContact CG-CB 3.96Å; P401-K498 HydrophobicContact CG-CD 3.6Å; P401-K498 HydrophobicContact CG-CG 4.41Å; P494-K498 WeakPolarHBondContact O-CB 3.45Å; P494-K498 PolarHBondContact O-N 3.48Å; P494-K498 VanDerWaalsContact O-N 3.13Å; L496-K498 VanDerWaalsContact C-N 3.34Å; L496-K498 PolarHBondContact O-N 2.81Å; K498-K502 VanDerWaalsContact O-CB 3.26Å; K498-K502 WeakPolarHBondContact O-CB 3.23Å; K498-K502 PolarHBondContact O-N 3.19Å
499	A	94.9	Very high	92.7	Very high	25 Å²	25	51.1 Å²	51.1	21%	0.207	26%	0.26	C	S	.	.	H	α-helix	trans	-69.4	-47.1	178.2	0	0	0	0	0	111.7	I462 V466 M495 L496 Q497 K502 A503	I462-A499 HydrophobicContact CD1-CB 4.45Å; I462-A499 HydrophobicContact CG2-CB 3.27Å; V466-A499 HydrophobicContact CG2-CB 4.4Å; M495-A499 PolarHBondContact O-N 3.23Å; L496-A499 PolarHBondContact O-N 2.79Å; L496-A499 VanDerWaalsContact O-N 3.09Å; Q497-A499 VanDerWaalsContact C-N 3.34Å; Q497-A499 PolarHBondContact O-N 2.93Å; A499-K502 PolarHBondContact O-N 3.29Å; A499-A503 PolarHBondContact O-N 2.97Å
500	V	95.1	Very high	92.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-43.7	175.2	177.5	0	0	0	0	110.6	V466 L484 L486 L496 Q497 K502 A503 L504 I510	V466-V500 HydrophobicContact CG2-CG2 4.34Å; L484-V500 HydrophobicContact CD2-CG1 4.22Å; L486-V500 HydrophobicContact CD1-CG2 4.42Å; L486-V500 HydrophobicContact CD2-CB 4.38Å; L486-V500 HydrophobicContact CD2-CG1 4.42Å; L486-V500 HydrophobicContact CD2-CG2 4.32Å; L496-V500 HydrophobicContact CD1-CG2 3.84Å; L496-V500 HydrophobicContact CG-CG2 4.19Å; L496-V500 WeakPolarHBondContact O-CG2 3.33Å; L496-V500 PolarHBondContact O-N 3.23Å; Q497-V500 PolarHBondContact O-N 2.84Å; V500-K502 PolarHBondContact O-N 3.11Å; V500-A503 PolarHBondContact O-N 2.85Å; V500-L504 HydrophobicContact CG1-CD1 4.31Å; V500-L504 PolarHBondContact O-N 3Å; V500-I510 HydrophobicContact CG1-CD1 4.11Å; V500-I510 HydrophobicContact CG1-CG2 4.45Å
501	Q	94.6	Very high	92.6	Very high	60 Å²	60	49.1 Å²	49.1	28%	0.28	24%	0.242	S	C	.	.	H	α-helix	trans	-57.4	-46.7	173.4	-174.1	-170.6	32.9	0	0	112.3	L261 Q497 A503 G505	L261-Q501 HydrophobicContact CB-CB 4.42Å; L261-Q501 HydrophobicContact CB-CG 4.17Å; L261-Q501 HydrophobicContact CD1-CB 4.32Å; L261-Q501 WeakPolarHBondContact O-CG 3.41Å; L261-Q501 PolarHBondContact O-NE2 3.21Å; Q497-Q501 VanDerWaalsContact O-CB 3.23Å; Q497-Q501 WeakPolarHBondContact O-CB 3.21Å; Q497-Q501 PolarHBondContact O-N 3Å; Q501-A503 PolarHBondContact O-N 2.92Å; Q501-G505 WeakPolarHBondContact O-CA 3.5Å; Q501-G505 PolarHBondContact O-N 3.05Å
502	K	93.4	Very high	92.6	Very high	186 Å²	186	49.2 Å²	49.2	81%	0.809	24%	0.242	S	C	*	.	H	α-helix	trans	-63.6	-39.4	-179.8	-178.4	-174.7	173.3	-168.3	0	112.5	K498 A499 V500	K498-K502 VanDerWaalsContact O-CB 3.26Å; K498-K502 WeakPolarHBondContact O-CB 3.23Å; K498-K502 PolarHBondContact O-N 3.19Å; A499-K502 PolarHBondContact O-N 3.29Å; V500-K502 PolarHBondContact O-N 3.11Å
503	A	93.5	Very high	92.5	Very high	33 Å²	33	46 Å²	46	27%	0.273	23%	0.227	S	C	.	.	H	α-helix	trans	-78.4	-48.3	-178.4	0	0	0	0	0	112.5	V466 A499 V500 Q501	V466-A503 HydrophobicContact CG1-CB 3.46Å; V466-A503 VanDerWaalsContact CG1-CB 3.46Å; A499-A503 PolarHBondContact O-N 2.97Å; V500-A503 PolarHBondContact O-N 2.85Å; Q501-A503 PolarHBondContact O-N 2.92Å
504	L	91.8	Very high	92.2	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-114.2	-10.4	-163.7	-61	174.8	0	0	0	114.8	I469 E470 M473 L484 V500 R506 T507 C508 I510	I469-L504 HydrophobicContact CB-CD1 3.95Å; I469-L504 HydrophobicContact CD1-CD1 4.43Å; I469-L504 HydrophobicContact CG2-CD1 3.3Å; E470-L504 HydrophobicContact CG-CD2 3.81Å; M473-L504 HydrophobicContact SD-CD1 4.19Å; M473-L504 HydrophobicContact SD-CD2 3.85Å; L484-L504 HydrophobicContact CD1-CD1 4.08Å; V500-L504 HydrophobicContact CG1-CD1 4.31Å; V500-L504 PolarHBondContact O-N 3Å; L504-R506 PolarHBondContact O-N 2.98Å; L504-R506 VanDerWaalsContact O-N 3.08Å; L504-T507 WeakPolarHBondContact O-CB 3.42Å; L504-T507 PolarHBondContact O-N 3.22Å; L504-C508 PolarHBondContact O-N 2.89Å; L504-I510 HydrophobicContact CB-CD1 4.18Å
505	G	88.3	Confident	91.8	Very high	26 Å²	26	48 Å²	48	27%	0.268	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-9.1	-176.5	0	0	0	0	0	115.2	Q501	Q501-G505 WeakPolarHBondContact O-CA 3.5Å; Q501-G505 PolarHBondContact O-N 3.05Å
506	R	87.3	Confident	91.6	Very high	249 Å²	249	47.9 Å²	47.9	94%	0.94	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-18.3	168.8	-68.4	-179.7	175.7	171	-2.4	113.4	L504	L504-R506 PolarHBondContact O-N 2.98Å; L504-R506 VanDerWaalsContact O-N 3.08Å
507	T	86.2	Confident	91.3	Very high	92 Å²	92	48.2 Å²	48.2	56%	0.564	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102	-34.1	-171.1	-47.4	0	0	0	0	111.5	M473 L504	M473-T507 HydrophobicContact CE-CG2 3.69Å; L504-T507 WeakPolarHBondContact O-CB 3.42Å; L504-T507 PolarHBondContact O-N 3.22Å
508	C	88.9	Confident	91.2	Very high	11 Å²	11	47.3 Å²	47.3	7%	0.074	23%	0.232	C	C	.	.	S	Bend	trans	-151	161.4	-179.4	65.5	0	0	0	0	112	M473 V481 L504 I510	M473-C508 HydrophobicContact CE-CB 4.14Å; V481-C508 HydrophobicContact CG1-CB 4.36Å; L504-C508 PolarHBondContact O-N 2.89Å; C508-I510 PolarHBondContact O-N 2.98Å
509	R	90.3	Very high	91.1	Very high	55 Å²	55	41.9 Å²	41.9	21%	0.208	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	114.2	174.7	-174.7	170.2	179.3	-151.2	-3.5	109.5	D260 E310 R482 F483 L484 I511	D260-R509 IonicContact OD1-NE 2.7Å; D260-R509 IonicContact OD2-CZ 3.66Å; D260-R509 IonicContact OD2-NE 3.11Å; D260-R509 PolarHBondContact OD2-NE 3.15Å; D260-R509 IonicContact OD2-NH2 3.35Å; D260-R509 PolarHBondContact OD2-NH2 3.01Å; E310-R509 IonicContact OE1-CZ 3.41Å; E310-R509 IonicContact OE1-NH1 3.29Å; E310-R509 PolarHBondContact OE1-NH1 3.34Å; E310-R509 IonicContact OE2-NH1 3.3Å; E310-R509 PolarHBondContact OE2-NH1 3.25Å; R482-R509 PolarHBondContact O-N 3.08Å; F483-R509 WeakPolarHBondContact CA-O 3.12Å; F483-R509 HydrophobicContact CD1-CB 4.05Å; F483-R509 HydrophobicContact CD1-CG 4.16Å; F483-R509 HydrophobicContact CE1-CB 4.41Å; F483-R509 HydrophobicContact CE1-CG 4.27Å; L484-R509 PolarHBondContact N-O 3.19Å; R509-I511 HydrophobicContact CG-CD1 3.94Å; R509-I511 HydrophobicContact CG-CG1 4.37Å
510	I	93.9	Very high	91.2	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	118.2	-176.5	-60.7	157.6	0	0	0	109.6	L261 L484 L486 V500 L504 C508	L261-I510 HydrophobicContact CB-CB 4.17Å; L261-I510 HydrophobicContact CB-CG2 4.23Å; L261-I510 HydrophobicContact CD1-CG2 4.03Å; L261-I510 HydrophobicContact CG-CG2 4.38Å; L261-I510 PolarHBondContact N-O 3.45Å; L484-I510 HydrophobicContact CB-CG1 4.45Å; L484-I510 HydrophobicContact CD2-CG1 4.43Å; L484-I510 HydrophobicContact CD2-CG2 4.1Å; L484-I510 CarbonylContact O-C 3.19Å; L484-I510 WeakPolarHBondContact O-CA 3.37Å; L486-I510 HydrophobicContact CB-CG2 4.45Å; V500-I510 HydrophobicContact CG1-CD1 4.11Å; V500-I510 HydrophobicContact CG1-CG2 4.45Å; L504-I510 HydrophobicContact CB-CD1 4.18Å; C508-I510 PolarHBondContact O-N 2.98Å
511	I	92.9	Very high	91.2	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.5	-175.3	-59.3	-61.1	0	0	0	110.1	V258 D260 L307 F483 L484 F485 L486 R509	V258-I511 HydrophobicContact CB-CG2 3.86Å; V258-I511 HydrophobicContact CG1-CG2 3.71Å; V258-I511 HydrophobicContact CG2-CG2 4.47Å; D260-I511 HydrophobicContact CB-CD1 4.06Å; L307-I511 HydrophobicContact CD1-CD1 4.34Å; L307-I511 HydrophobicContact CD2-CD1 4.47Å; L307-I511 HydrophobicContact CD2-CG1 4.21Å; L307-I511 HydrophobicContact CD2-CG2 3.9Å; F483-I511 HydrophobicContact CD1-CG1 4.04Å; L484-I511 PolarHBondContact O-N 2.87Å; F485-I511 CarbonylContact C-O 3.57Å; F485-I511 WeakPolarHBondContact CA-O 3.33Å; F485-I511 HydrophobicContact CD1-CB 3.89Å; F485-I511 HydrophobicContact CD1-CG2 3.76Å; F485-I511 HydrophobicContact CE1-CB 4.01Å; F485-I511 HydrophobicContact CE1-CG1 4.48Å; F485-I511 HydrophobicContact CE1-CG2 3.71Å; L486-I511 PolarHBondContact N-O 3.36Å; R509-I511 HydrophobicContact CG-CD1 3.94Å; R509-I511 HydrophobicContact CG-CG1 4.37Å
512	I	94.3	Very high	91.2	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	118.5	175.1	-59.2	178.2	0	0	0	108.9	V258 I259 L261 L486 Q497 V516	V258-I512 CarbonylContact C-O 3.51Å; V258-I512 WeakPolarHBondContact CA-O 3.38Å; I259-I512 HydrophobicContact CB-CB 4.3Å; I259-I512 PolarHBondContact N-O 3.35Å; I259-I512 PolarHBondContact O-N 2.92Å; L261-I512 HydrophobicContact CD1-CD1 3.58Å; L261-I512 HydrophobicContact CD1-CG1 4.43Å; L261-I512 HydrophobicContact CD2-CD1 4.44Å; L261-I512 HydrophobicContact CG-CD1 3.98Å; L486-I512 HydrophobicContact CB-CG1 4.08Å; L486-I512 HydrophobicContact CD2-CD1 4.07Å; L486-I512 HydrophobicContact CD2-CG1 4.45Å; Q497-I512 HydrophobicContact CB-CD1 4.43Å; Q497-I512 HydrophobicContact CG-CD1 3.57Å; I512-V516 HydrophobicContact CG2-CB 3.93Å; I512-V516 HydrophobicContact CG2-CG1 4.2Å; I512-V516 HydrophobicContact CG2-CG2 4.02Å
513	P	90.9	Very high	91.3	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.013	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	147.2	172.1	-26.7	36	0	0	0	113.1	L253 V487 V516 T519	L253-P513 HydrophobicContact CD1-CB 3.66Å; L253-P513 HydrophobicContact CD1-CG 3.7Å; V487-P513 HydrophobicContact CG1-CG 4.11Å; P513-V516 WeakPolarHBondContact O-CB 3.24Å; P513-V516 PolarHBondContact O-N 3.29Å; P513-T519 HydrophobicContact CG-CG2 3.99Å
514	H	86.8	Confident	91.5	Very high	52 Å²	52	27.9 Å²	27.9	24%	0.241	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	142.9	162.3	-75.9	-10.4	0	0	0	110.7	H256 Q257 V516	H256-H514 PolarHBondContact O-CD2 3.29Å; H256-H514 PolarHBondContact O-NE2 2.85Å; Q257-H514 WeakPolarHBondContact O-CB 3.45Å; Q257-H514 PolarHBondContact O-N 3.03Å; H514-V516 VanDerWaalsContact C-N 3.29Å; H514-V516 PolarHBondContact O-N 3.5Å
515	D	85.9	Confident	91.7	Very high	48 Å²	48	27.6 Å²	27.6	26%	0.257	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	47.5	-172.5	-49.7	-40.5	0	0	0	112.5	G517 L518	D515-G517 PolarHBondContact O-N 3.48Å; D515-L518 HydrophobicContact CB-CD1 4.05Å; D515-L518 WeakPolarHBondContact O-CB 3.41Å; D515-L518 PolarHBondContact O-N 3.01Å
516	V	90.6	Very high	92	Very high	8 Å²	8	27.2 Å²	27.2	5%	0.048	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-51	-33.1	-169.4	64.9	0	0	0	0	114.8	V487 A491 E492 I512 P513 H514 L518 T519	V487-V516 VanDerWaalsContact CA-CG2 3.49Å; V487-V516 HydrophobicContact CB-CG2 4.26Å; A491-V516 HydrophobicContact CB-CG1 4.27Å; A491-V516 HydrophobicContact CB-CG2 3.91Å; E492-V516 HydrophobicContact CB-CG1 4.35Å; E492-V516 HydrophobicContact CG-CG1 3.44Å; E492-V516 VanDerWaalsContact CG-CG1 3.44Å; I512-V516 HydrophobicContact CG2-CB 3.93Å; I512-V516 HydrophobicContact CG2-CG1 4.2Å; I512-V516 HydrophobicContact CG2-CG2 4.02Å; P513-V516 WeakPolarHBondContact O-CB 3.24Å; P513-V516 PolarHBondContact O-N 3.29Å; H514-V516 VanDerWaalsContact C-N 3.29Å; H514-V516 PolarHBondContact O-N 3.5Å; V516-L518 PolarHBondContact O-N 2.92Å; V516-T519 WeakPolarHBondContact CA-OG1 3.28Å; V516-T519 WeakPolarHBondContact O-CB 3.43Å; V516-T519 PolarHBondContact O-N 3.3Å; V516-T519 VanDerWaalsContact O-N 3.12Å; V516-T519 PolarHBondContact O-OG1 3.38Å
517	G	89.1	Confident	92.3	Very high	7 Å²	7	15.8 Å²	15.8	7%	0.072	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-62.3	-9.9	175.3	0	0	0	0	0	115.3	K102 D515	K102-G517 WeakPolarHBondContact CE-O 3.17Å; K102-G517 PolarHBondContact NZ-O 2.99Å; D515-G517 PolarHBondContact O-N 3.48Å
518	L	92.1	Very high	92.7	Very high	18 Å²	18	11.4 Å²	11.4	9%	0.094	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-109.4	-4.2	178.7	-52.7	175.7	0	0	0	113.7	M87 Q101 K102 D515 V516 I520 L521 K522	M87-L518 HydrophobicContact CE-CB 4.35Å; M87-L518 HydrophobicContact CE-CD1 4.28Å; M87-L518 HydrophobicContact CE-CD2 4Å; M87-L518 HydrophobicContact CE-CG 4.45Å; Q101-L518 HydrophobicContact CB-CD1 4.3Å; Q101-L518 HydrophobicContact CB-CD2 4.08Å; K102-L518 HydrophobicContact CD-CD2 4.38Å; K102-L518 HydrophobicContact CG-CD2 4.17Å; D515-L518 HydrophobicContact CB-CD1 4.05Å; D515-L518 WeakPolarHBondContact O-CB 3.41Å; D515-L518 PolarHBondContact O-N 3.01Å; V516-L518 PolarHBondContact O-N 2.92Å; L518-I520 VanDerWaalsContact C-N 3.31Å; L518-I520 PolarHBondContact O-N 2.72Å; L518-L521 PolarHBondContact O-N 3.45Å; L518-K522 PolarHBondContact O-N 3.26Å
519	T	93.7	Very high	92.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-53	-47.6	-176.9	-52	0	0	0	0	111.8	A246 Y249 V487 P513 V516 G523	A246-T519 HydrophobicContact CB-CG2 3.81Å; Y249-T519 HydrophobicContact CD1-CG2 3.75Å; V487-T519 HydrophobicContact CB-CG2 4.27Å; V487-T519 HydrophobicContact CG1-CG2 3.99Å; P513-T519 HydrophobicContact CG-CG2 3.99Å; V516-T519 WeakPolarHBondContact CA-OG1 3.28Å; V516-T519 WeakPolarHBondContact O-CB 3.43Å; V516-T519 PolarHBondContact O-N 3.3Å; V516-T519 VanDerWaalsContact O-N 3.12Å; V516-T519 PolarHBondContact O-OG1 3.38Å; T519-G523 PolarHBondContact O-N 2.7Å
520	I	96	Very high	92.7	Very high	6 Å²	6	13.1 Å²	13.1	3%	0.031	7%	0.069	C	C	.	.	H	α-helix	trans	-60.3	-52.5	-179.6	-68.6	66.1	0	0	0	109.6	D66 T206 E242 A246 D321 V487 L518 G523 A524	D66-I520 WeakPolarHBondContact OD1-CG2 3.27Å; T206-I520 HydrophobicContact CG2-CG2 3.84Å; E242-I520 HydrophobicContact CB-CG1 4.38Å; E242-I520 HydrophobicContact CB-CG2 4.19Å; E242-I520 HydrophobicContact CG-CG2 4.03Å; A246-I520 HydrophobicContact CB-CD1 4.15Å; A246-I520 HydrophobicContact CB-CG1 4.25Å; D321-I520 WeakPolarHBondContact OD2-CD1 3.28Å; D321-I520 WeakPolarHBondContact OD2-CG1 3.41Å; V487-I520 HydrophobicContact CG2-CD1 4.39Å; L518-I520 VanDerWaalsContact C-N 3.31Å; L518-I520 PolarHBondContact O-N 2.72Å; I520-G523 CarbonylContact O-C 3.54Å; I520-G523 WeakPolarHBondContact O-CA 3.43Å; I520-G523 PolarHBondContact O-N 2.76Å; I520-A524 WeakPolarHBondContact O-CB 3.21Å; I520-A524 PolarHBondContact O-N 2.78Å
521	L	95.6	Very high	92.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.9	-46.8	-176.4	-179.7	49.3	0	0	0	112.9	A64 D66 A75 M87 L518 G523 A524 V525	A64-L521 HydrophobicContact CB-CD1 4.16Å; A64-L521 VanDerWaalsContact O-CD1 3.27Å; A64-L521 WeakPolarHBondContact O-CD1 3.19Å; D66-L521 HydrophobicContact CB-CB 3.71Å; D66-L521 HydrophobicContact CB-CD1 3.78Å; D66-L521 HydrophobicContact CB-CD2 4.3Å; D66-L521 HydrophobicContact CB-CG 4.13Å; A75-L521 HydrophobicContact CB-CD1 3.94Å; A75-L521 HydrophobicContact CB-CD2 4.24Å; A75-L521 HydrophobicContact CB-CG 3.83Å; M87-L521 HydrophobicContact CE-CD2 3.5Å; M87-L521 HydrophobicContact CE-CG 3.95Å; L518-L521 PolarHBondContact O-N 3.45Å; L521-G523 VanDerWaalsContact C-N 3.29Å; L521-G523 PolarHBondContact O-N 2.58Å; L521-A524 PolarHBondContact O-N 3.34Å; L521-V525 PolarHBondContact O-N 3.19Å
522	K	94.8	Very high	92	Very high	3 Å²	3	18.7 Å²	18.7	1%	0.013	10%	0.104	C	C	.	.	H	α-helix	trans	-61.7	-40	174.7	-67.2	175.6	179.1	173.7	0	111.2	I85 M87 Y249 L518 V525 L526	I85-K522 HydrophobicContact CD1-CB 4.2Å; M87-K522 HydrophobicContact SD-CG 4.05Å; Y249-K522 HydrophobicContact CD1-CB 4.33Å; Y249-K522 HydrophobicContact CD2-CB 3.66Å; Y249-K522 HydrophobicContact CD2-CD 4.39Å; Y249-K522 HydrophobicContact CE1-CB 4.42Å; Y249-K522 HydrophobicContact CE1-CD 3.86Å; Y249-K522 HydrophobicContact CE2-CB 3.81Å; Y249-K522 HydrophobicContact CE2-CD 3.7Å; Y249-K522 HydrophobicContact CE2-CG 4.37Å; Y249-K522 HydrophobicContact CG-CB 3.96Å; Y249-K522 WeakPolarHBondContact OH-CD 3.23Å; Y249-K522 PolarHBondContact OH-NZ 3.44Å; L518-K522 PolarHBondContact O-N 3.26Å; K522-V525 PolarHBondContact O-N 3.4Å; K522-L526 WeakPolarHBondContact O-CG 3.42Å; K522-L526 PolarHBondContact O-N 3.39Å
523	G	95.1	Very high	91.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.3	-34.9	174.7	0	0	0	0	0	114.6	A245 T519 I520 L521 L526 F527	A245-G523 WeakPolarHBondContact O-CA 3.08Å; T519-G523 PolarHBondContact O-N 2.7Å; I520-G523 CarbonylContact O-C 3.54Å; I520-G523 WeakPolarHBondContact O-CA 3.43Å; I520-G523 PolarHBondContact O-N 2.76Å; L521-G523 VanDerWaalsContact C-N 3.29Å; L521-G523 PolarHBondContact O-N 2.58Å; G523-L526 PolarHBondContact O-N 2.85Å; G523-F527 WeakPolarHBondContact O-CB 3.42Å; G523-F527 PolarHBondContact O-N 3.09Å
524	A	97.1	Very high	90.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-70.8	-34.1	179.3	0	0	0	0	0	112.1	A64 V204 T206 A245 I520 L521 F527 G528	A64-A524 HydrophobicContact CB-CB 3.69Å; V204-A524 HydrophobicContact CG1-CB 4.17Å; T206-A524 HydrophobicContact CG2-CB 3.6Å; A245-A524 HydrophobicContact CB-CB 4.24Å; I520-A524 WeakPolarHBondContact O-CB 3.21Å; I520-A524 PolarHBondContact O-N 2.78Å; L521-A524 PolarHBondContact O-N 3.34Å; A524-F527 PolarHBondContact O-N 3.03Å; A524-G528 PolarHBondContact O-N 2.74Å
525	V	96.6	Very high	90.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.4	-48.6	169.2	179.4	0	0	0	0	110.3	V62 A64 A75 S77 I85 L521 K522 F527 G528 L529	V62-V525 HydrophobicContact CG1-CG1 4.42Å; A64-V525 HydrophobicContact CB-CB 4.45Å; A64-V525 HydrophobicContact CB-CG2 3.62Å; A75-V525 HydrophobicContact CB-CG2 3.8Å; S77-V525 VanDerWaalsContact CB-CG1 3.49Å; I85-V525 HydrophobicContact CD1-CB 4.29Å; I85-V525 HydrophobicContact CD1-CG1 4.4Å; I85-V525 HydrophobicContact CG1-CG1 4.15Å; I85-V525 HydrophobicContact CG2-CB 4.49Å; I85-V525 HydrophobicContact CG2-CG2 4.19Å; L521-V525 PolarHBondContact O-N 3.19Å; K522-V525 PolarHBondContact O-N 3.4Å; V525-F527 VanDerWaalsContact C-N 3.29Å; V525-F527 PolarHBondContact O-N 3.33Å; V525-G528 PolarHBondContact O-N 3.48Å; V525-G528 VanDerWaalsContact O-N 3.08Å; V525-L529 HydrophobicContact CG1-CD1 4.24Å; V525-L529 WeakPolarHBondContact O-CG 3.4Å; V525-L529 PolarHBondContact O-N 3.24Å
526	L	94.1	Very high	90.6	Very high	18 Å²	18	20.5 Å²	20.5	9%	0.094	11%	0.11	C	C	.	.	H	α-helix	trans	-60	-37.2	177	-65.2	175	0	0	0	112.8	I85 I248 Y249 K252 V300 K522 G523 L529 D530	I85-L526 HydrophobicContact CD1-CD2 4.26Å; I85-L526 HydrophobicContact CD1-CG 4.15Å; I248-L526 HydrophobicContact CG2-CB 3.62Å; I248-L526 HydrophobicContact CG2-CD1 4.17Å; Y249-L526 HydrophobicContact CD2-CD1 4.12Å; K252-L526 HydrophobicContact CG-CD1 4.05Å; V300-L526 HydrophobicContact CG1-CD1 4.47Å; V300-L526 HydrophobicContact CG1-CD2 4.32Å; V300-L526 HydrophobicContact CG2-CD2 4.45Å; K522-L526 WeakPolarHBondContact O-CG 3.42Å; K522-L526 PolarHBondContact O-N 3.39Å; G523-L526 PolarHBondContact O-N 2.85Å; L526-L529 HydrophobicContact CD2-CD1 4.32Å; L526-L529 PolarHBondContact O-N 2.91Å; L526-D530 PolarHBondContact O-N 3.07Å
527	F	93.5	Very high	90.3	Very high	9 Å²	9	21 Å²	21	4%	0.039	11%	0.11	C	C	.	.	H	α-helix	trans	-67.7	-35.1	173.7	179	-103	0	0	0	113.2	V204 L238 A240 I248 G523 A524 V525 D530 P531 V534	V204-F527 HydrophobicContact CG1-CD1 4.17Å; L238-F527 HydrophobicContact CB-CE1 4.24Å; L238-F527 HydrophobicContact CD1-CE1 4.34Å; A240-F527 HydrophobicContact CB-CD1 3.59Å; A240-F527 HydrophobicContact CB-CE1 3.89Å; A240-F527 HydrophobicContact CB-CG 4.32Å; I248-F527 HydrophobicContact CD1-CB 3.84Å; I248-F527 HydrophobicContact CD1-CD2 3.74Å; I248-F527 HydrophobicContact CD1-CG 4.24Å; G523-F527 WeakPolarHBondContact O-CB 3.42Å; G523-F527 PolarHBondContact O-N 3.09Å; A524-F527 PolarHBondContact O-N 3.03Å; V525-F527 VanDerWaalsContact C-N 3.29Å; V525-F527 PolarHBondContact O-N 3.33Å; F527-D530 CarbonylContact O-C 3.48Å; F527-P531 HydrophobicContact CD2-CB 4.3Å; F527-P531 HydrophobicContact CE1-CB 4.43Å; F527-P531 HydrophobicContact CE2-CB 3.85Å; F527-P531 HydrophobicContact CZ-CB 3.94Å; F527-P531 VanDerWaalsContact O-CA 3.28Å; F527-P531 WeakPolarHBondContact O-CA 3.33Å; F527-P531 WeakPolarHBondContact O-CD 3.35Å; F527-V534 HydrophobicContact CE2-CG2 4.45Å
528	G	94.1	Very high	90.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-68.7	-35.7	174.9	0	0	0	0	0	113.2	R202 A524 V525	R202-G528 WeakPolarHBondContact CD-O 3.41Å; R202-G528 PolarHBondContact NH1-O 2.81Å; A524-G528 PolarHBondContact O-N 2.74Å; V525-G528 PolarHBondContact O-N 3.48Å; V525-G528 VanDerWaalsContact O-N 3.08Å
529	L	91.9	Very high	90	Very high	32 Å²	32	22.3 Å²	22.3	17%	0.168	11%	0.113	C	C	.	.	H	α-helix	trans	-66.6	-48.4	173.9	-67.8	168.2	0	0	0	111.1	V62 M79 V525 L526	V62-L529 HydrophobicContact CB-CD2 4.32Å; V62-L529 HydrophobicContact CB-CG 4.46Å; V62-L529 HydrophobicContact CG2-CD2 3.71Å; V62-L529 HydrophobicContact CG2-CG 4.04Å; M79-L529 HydrophobicContact SD-CD2 3.44Å; M79-L529 WeakPolarHBondContact SD-CD2 3.01Å; V525-L529 HydrophobicContact CG1-CD1 4.24Å; V525-L529 WeakPolarHBondContact O-CG 3.4Å; V525-L529 PolarHBondContact O-N 3.24Å; L526-L529 HydrophobicContact CD2-CD1 4.32Å; L526-L529 PolarHBondContact O-N 2.91Å
530	D	88.9	Confident	89.5	Confident	70 Å²	70	25.6 Å²	25.6	37%	0.374	13%	0.134	S	C	.	.			trans	-137.5	96.2	174.8	-176	7.3	0	0	0	112.5	L526 F527 T532 V533	L526-D530 PolarHBondContact O-N 3.07Å; F527-D530 CarbonylContact O-C 3.48Å; D530-T532 PolarHBondContact O-N 3.28Å; D530-T532 WeakPolarHBondContact OD1-CA 3.43Å; D530-T532 VanDerWaalsContact OD1-CB 3.29Å; D530-T532 WeakPolarHBondContact OD1-CB 3.47Å; D530-T532 PolarHBondContact OD1-N 3.21Å; D530-T532 PolarHBondContact OD1-OG1 2.97Å; D530-T532 PolarHBondContact OD2-OG1 3.37Å; D530-V533 HydrophobicContact CB-CG2 4.09Å; D530-V533 WeakPolarHBondContact O-CG2 3.44Å
531	P	87.1	Confident	89.1	Confident	36 Å²	36	26.5 Å²	26.5	23%	0.234	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-75.6	-8.4	176.4	29.4	-34.4	0	0	0	113.1	L238 F527 V533	L238-P531 HydrophobicContact CD1-CB 4.29Å; L238-P531 HydrophobicContact CD1-CG 4.36Å; F527-P531 HydrophobicContact CD2-CB 4.3Å; F527-P531 HydrophobicContact CE1-CB 4.43Å; F527-P531 HydrophobicContact CE2-CB 3.85Å; F527-P531 HydrophobicContact CZ-CB 3.94Å; F527-P531 VanDerWaalsContact O-CA 3.28Å; F527-P531 WeakPolarHBondContact O-CA 3.33Å; F527-P531 WeakPolarHBondContact O-CD 3.35Å; P531-V533 PolarHBondContact O-N 2.93Å
532	T	84.9	Confident	89	Confident	82 Å²	82	26.5 Å²	26.5	50%	0.503	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-77.8	-8	-177.6	76.5	0	0	0	0	113.8	D530 V534 L586	D530-T532 PolarHBondContact O-N 3.28Å; D530-T532 WeakPolarHBondContact OD1-CA 3.43Å; D530-T532 VanDerWaalsContact OD1-CB 3.29Å; D530-T532 WeakPolarHBondContact OD1-CB 3.47Å; D530-T532 PolarHBondContact OD1-N 3.21Å; D530-T532 PolarHBondContact OD1-OG1 2.97Å; D530-T532 PolarHBondContact OD2-OG1 3.37Å; T532-V534 PolarHBondContact O-N 2.7Å; T532-L586 HydrophobicContact CG2-CD2 4.19Å
533	V	81.1	Confident	88.9	Confident	25 Å²	25	26.5 Å²	26.5	15%	0.152	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-59.6	-32.5	176.9	-179.2	0	0	0	0	112.4	I248 L341 D530 P531	I248-V533 HydrophobicContact CD1-CB 4.46Å; I248-V533 HydrophobicContact CD1-CG1 4.44Å; I248-V533 HydrophobicContact CG1-CB 4.48Å; I248-V533 HydrophobicContact CG1-CG1 3.94Å; L341-V533 HydrophobicContact CG-CG1 4.49Å; L341-V533 PolarHBondContact N-O 3.45Å; D530-V533 HydrophobicContact CB-CG2 4.09Å; D530-V533 WeakPolarHBondContact O-CG2 3.44Å; P531-V533 PolarHBondContact O-N 2.93Å
534	V	80.7	Confident	88.8	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	103.7	171.4	-171.3	0	0	0	0	109.1	E244 I248 L341 F527 T532 R537	E244-V534 HydrophobicContact CB-CG2 4.4Å; I248-V534 HydrophobicContact CD1-CG2 4.23Å; L341-V534 HydrophobicContact CD1-CG2 4.35Å; F527-V534 HydrophobicContact CE2-CG2 4.45Å; T532-V534 PolarHBondContact O-N 2.7Å; V534-R537 HydrophobicContact CG1-CG 3.99Å
535	R	81.3	Confident	88.6	Confident	100 Å²	100	26.6 Å²	26.6	38%	0.377	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-35.1	-169.8	-171.6	175.3	79.7	144.2	7.3	113.5	E335 T340 L341 A585 L586	E335-R535 IonicContact OE1-NH2 2.81Å; E335-R535 PolarHBondContact OE1-NH2 2.92Å; E335-R535 IonicContact OE2-CZ 3.71Å; E335-R535 VanDerWaalsContact OE2-CZ 3.3Å; E335-R535 IonicContact OE2-NE 2.7Å; E335-R535 PolarHBondContact OE2-NE 3.01Å; E335-R535 IonicContact OE2-NH2 3.34Å; E335-R535 PolarHBondContact OE2-NH2 3.19Å; T340-R535 HydrophobicContact CG2-CB 4.31Å; L341-R535 PolarHBondContact O-N 2.96Å; R535-A585 CarbonylContact O-C 3.54Å; R535-A585 WeakPolarHBondContact O-CA 3.22Å; R535-L586 PolarHBondContact O-N 3.29Å
536	V	83.7	Confident	88.3	Confident	16 Å²	16	28 Å²	28	10%	0.097	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	126.1	-175.6	-179.1	0	0	0	0	109.9	L341 K342 E343 V584	L341-V536 PolarHBondContact O-N 3.45Å; K342-V536 HydrophobicContact CB-CB 4.23Å; K342-V536 HydrophobicContact CG-CB 4Å; K342-V536 HydrophobicContact CG-CG1 4.17Å; E343-V536 PolarHBondContact N-O 3.35Å; V536-V584 WeakPolarHBondContact CA-O 3.44Å
537	R	86.1	Confident	88.1	Confident	17 Å²	17	28.3 Å²	28.3	6%	0.064	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	162.3	175.5	-69.6	-179.9	170.5	105.2	-3.7	110.8	E244 E343 V534 S583 V584 G668	E244-R537 IonicContact OE1-CZ 3.97Å; E244-R537 IonicContact OE1-NE 3.76Å; E244-R537 PolarHBondContact OE1-NE 2.88Å; E244-R537 IonicContact OE1-NH2 3.04Å; E244-R537 PolarHBondContact OE1-NH2 2.8Å; E244-R537 IonicContact OE2-CZ 3.91Å; E244-R537 IonicContact OE2-NE 3.97Å; E244-R537 IonicContact OE2-NH2 2.81Å; E244-R537 PolarHBondContact OE2-NH2 3.35Å; E343-R537 WeakPolarHBondContact OE2-CA 3.32Å; V534-R537 HydrophobicContact CG1-CG 3.99Å; R537-S583 WeakPolarHBondContact O-CA 3.48Å; R537-V584 HydrophobicContact CB-CG2 4.43Å; R537-V584 PolarHBondContact N-O 3.08Å; R537-V584 WeakPolarHBondContact O-CG2 3.31Å; R537-V584 PolarHBondContact O-N 3.07Å; R537-G668 PolarHBondContact NH1-O 2.81Å
538	R	86.3	Confident	87.9	Confident	47 Å²	47	31.8 Å²	31.8	18%	0.177	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.4	176	-60.4	-73.1	-72.3	150.2	10.5	108.7	E343 L344 K346 P540 D581 S583	E343-R538 HydrophobicContact CB-CG 4.03Å; E343-R538 HydrophobicContact CG-CB 4.35Å; E343-R538 HydrophobicContact CG-CG 3.79Å; E343-R538 WeakPolarHBondContact O-CD 3.2Å; E343-R538 WeakPolarHBondContact O-CG 3.34Å; E343-R538 PolarHBondContact OE2-N 3.1Å; L344-R538 PolarHBondContact O-NE 3.16Å; K346-R538 HydrophobicContact CB-CB 4.26Å; R538-P540 WeakPolarHBondContact O-CD 3.29Å; R538-D581 IonicContact CZ-OD1 3.96Å; R538-D581 IonicContact NE-OD1 3.02Å; R538-D581 PolarHBondContact NH1-O 3.26Å; R538-D581 PolarHBondContact NH2-O 3.03Å; R538-D581 IonicContact NH2-OD1 3.67Å; R538-D581 PolarHBondContact NH2-OD1 3.46Å; R538-S583 PolarHBondContact NH1-OG 3.36Å
539	C	86.9	Confident	87.7	Confident	6 Å²	6	36 Å²	36	4%	0.041	20%	0.199	C	C	.	.			trans	-67.8	121.9	-177.1	-162	0	0	0	0	110.4	V541 V578 S579 D581 Q582	C539-V541 VanDerWaalsContact C-N 3.32Å; C539-V541 PolarHBondContact O-N 3.36Å; C539-V541 PolarHBondContact SG-O 3.16Å; C539-V578 HydrophobicContact CB-CG2 3.97Å; C539-V578 VanDerWaalsContact SG-CG1 3.6Å; C539-S579 WeakPolarHBondContact CB-O 3.02Å; C539-D581 PolarHBondContact O-N 2.93Å; C539-Q582 PolarHBondContact N-O 3.19Å
540	P	83.7	Confident	87.5	Confident	69 Å²	69	42.8 Å²	42.8	45%	0.448	22%	0.222	S	C	.	.	S	Bend	trans	-77.9	-17.1	-170.1	30.2	-36.4	0	0	0	113.7	R538 I580	R538-P540 WeakPolarHBondContact O-CD 3.29Å; P540-I580 VanDerWaalsContact O-CD1 3.29Å; P540-I580 WeakPolarHBondContact O-CD1 3.49Å
541	V	88.5	Confident	87.6	Confident	26 Å²	26	39.5 Å²	39.5	16%	0.158	21%	0.205	C	C	.	.	S	Bend	trans	-148.8	158.3	179.2	-65.4	0	0	0	0	109.5	C539 Y543 C610 S611	C539-V541 VanDerWaalsContact C-N 3.32Å; C539-V541 PolarHBondContact O-N 3.36Å; C539-V541 PolarHBondContact SG-O 3.16Å; V541-Y543 HydrophobicContact CG2-CD2 3.97Å; V541-Y543 HydrophobicContact CG2-CE1 3.94Å; V541-Y543 HydrophobicContact CG2-CE2 3.3Å; V541-Y543 WeakPolarHBondContact CG2-OH 3.42Å; V541-Y543 WeakPolarHBondContact O-CD2 3.17Å; V541-C610 HydrophobicContact CG2-CB 3.98Å; V541-S611 VanDerWaalsContact CB-O 3.28Å; V541-S611 WeakPolarHBondContact CB-O 3.34Å
542	T	92.5	Very high	87.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	131.9	172.2	-51.1	0	0	0	0	108.9	F574 R576 V578 I580 C610 S611 T613 D614 V616	T542-F574 HydrophobicContact CG2-CE1 3.88Å; T542-F574 HydrophobicContact CG2-CZ 4.14Å; T542-R576 HydrophobicContact CG2-CG 3.88Å; T542-V578 WeakPolarHBondContact CA-O 3.14Å; T542-V578 WeakPolarHBondContact CG2-O 3.35Å; T542-I580 PolarHBondContact OG1-N 3.3Å; T542-I580 VanDerWaalsContact OG1-N 3.12Å; T542-C610 CarbonylContact O-C 3.53Å; T542-C610 WeakPolarHBondContact O-CA 3.31Å; T542-C610 WeakPolarHBondContact O-CB 3.49Å; T542-S611 PolarHBondContact N-O 2.78Å; T542-S611 PolarHBondContact O-N 3.41Å; T542-T613 PolarHBondContact OG1-O 2.87Å; T542-D614 VanDerWaalsContact CG2-OD1 3.24Å; T542-D614 WeakPolarHBondContact CG2-OD1 3.37Å; T542-D614 PolarHBondContact OG1-OD1 3.25Å; T542-V616 HydrophobicContact CG2-CG2 4.45Å
543	Y	92.3	Very high	88.1	Confident	3 Å²	3	41.6 Å²	41.6	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	144.3	172.6	-63.5	-92.8	0	0	0	111.8	Q213 V541 F577 V578 Y609 C610 F667 I672 F691	Q213-Y543 WeakPolarHBondContact CG-OH 3.44Å; V541-Y543 HydrophobicContact CG2-CD2 3.97Å; V541-Y543 HydrophobicContact CG2-CE1 3.94Å; V541-Y543 HydrophobicContact CG2-CE2 3.3Å; V541-Y543 WeakPolarHBondContact CG2-OH 3.42Å; V541-Y543 WeakPolarHBondContact O-CD2 3.17Å; Y543-F577 PolarHBondContact O-N 2.92Å; Y543-V578 HydrophobicContact CD2-CG1 3.74Å; Y543-V578 HydrophobicContact CG-CG1 4.32Å; Y543-V578 PolarHBondContact N-O 2.97Å; Y543-V578 PolarHBondContact O-N 2.87Å; Y543-Y609 WeakPolarHBondContact CA-O 3.41Å; Y543-C610 HydrophobicContact CD1-CB 3.69Å; Y543-C610 HydrophobicContact CE1-CB 3.83Å; Y543-C610 HydrophobicContact CG-CB 4.32Å; Y543-F667 HydrophobicContact CD2-CE1 4.24Å; Y543-I672 HydrophobicContact CD1-CD1 4.19Å; Y543-I672 HydrophobicContact CD2-CD1 3.93Å; Y543-I672 HydrophobicContact CE1-CD1 3.71Å; Y543-I672 HydrophobicContact CE2-CD1 3.4Å; Y543-I672 VanDerWaalsContact CE2-CD1 3.4Å; Y543-I672 HydrophobicContact CG-CD1 4.29Å; Y543-F691 HydrophobicContact CE1-CE1 4.46Å
544	G	92.9	Very high	88.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	-174.9	178.2	0	0	0	0	0	112.5	D575 Y609	G544-D575 CarbonylContact C-O 3.36Å; G544-D575 WeakPolarHBondContact CA-O 3.2Å; G544-Y609 PolarHBondContact N-O 2.79Å; G544-Y609 PolarHBondContact O-N 3Å
545	V	92.8	Very high	88.8	Confident	2 Å²	2	53 Å²	53	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	152.1	175.7	-53.9	0	0	0	0	110.5	V547 D575 F577 Y594 I606 N607 I608 M665	V545-V547 HydrophobicContact CG2-CG1 3.78Å; V545-D575 HydrophobicContact CG2-CB 4.3Å; V545-D575 PolarHBondContact N-O 3.45Å; V545-D575 PolarHBondContact O-N 2.89Å; V545-F577 HydrophobicContact CB-CE2 4.44Å; V545-F577 HydrophobicContact CG1-CD2 4.36Å; V545-F577 HydrophobicContact CG1-CE2 3.8Å; V545-F577 HydrophobicContact CG1-CZ 4.47Å; V545-F577 HydrophobicContact CG2-CE2 3.87Å; V545-Y594 HydrophobicContact CG2-CE2 4.03Å; V545-Y594 WeakPolarHBondContact CG2-OH 3.45Å; V545-I606 HydrophobicContact CB-CG2 3.86Å; V545-I606 HydrophobicContact CG1-CG2 3.66Å; V545-I606 HydrophobicContact CG2-CG2 4.33Å; V545-N607 WeakPolarHBondContact CA-O 3.34Å; V545-N607 WeakPolarHBondContact CB-O 3.36Å; V545-I608 HydrophobicContact CG1-CG1 4.43Å; V545-M665 HydrophobicContact CG1-CE 3.54Å
546	G	91	Very high	89.3	Confident	29 Å²	29	49.2 Å²	49.2	30%	0.299	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124.8	175	0	0	0	0	0	111.3	I573 N607	G546-I573 WeakPolarHBondContact CA-O 3.42Å; G546-N607 PolarHBondContact N-O 2.86Å
547	V	90.9	Very high	89.7	Confident	25 Å²	25	50.8 Å²	50.8	15%	0.152	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	157.5	-178.4	-54.9	0	0	0	0	113.1	V545 I573 D575 Y594	V545-V547 HydrophobicContact CG2-CG1 3.78Å; V547-I573 HydrophobicContact CG2-CB 3.87Å; V547-I573 HydrophobicContact CG2-CG2 3.77Å; V547-I573 PolarHBondContact N-O 3.1Å; V547-I573 PolarHBondContact O-N 3.45Å; V547-D575 HydrophobicContact CG1-CB 3.77Å; V547-D575 HydrophobicContact CG2-CB 3.92Å; V547-Y594 HydrophobicContact CG1-CD1 4.24Å; V547-Y594 HydrophobicContact CG1-CE1 3.69Å
548	L	89.2	Confident	89.9	Confident	81 Å²	81	58.6 Å²	58.6	42%	0.424	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	128.7	161.9	-67.2	167.5	0	0	0	108.4	L562 W569 T571 A597	L548-L562 HydrophobicContact CD2-CD2 4.32Å; L548-W569 HydrophobicContact CB-CE3 4.36Å; L548-T571 HydrophobicContact CD2-CG2 3.95Å; L548-A597 HydrophobicContact CD1-CB 4.2Å
549	N	88.5	Confident	90.3	Very high	90 Å²	90	62.4 Å²	62.4	48%	0.481	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	170.4	173	-154.7	-14.9	0	0	0	110.5	F551 W569 C570 I573	N549-F551 PolarHBondContact O-N 3.49Å; N549-W569 CarbonylContact O-C 3.44Å; N549-W569 VanDerWaalsContact O-CA 3.27Å; N549-W569 WeakPolarHBondContact O-CA 3.49Å; N549-C570 PolarHBondContact N-O 2.83Å; N549-C570 PolarHBondContact O-N 3.4Å; N549-I573 HydrophobicContact CB-CD1 3.44Å; N549-I573 VanDerWaalsContact CB-CD1 3.44Å
550	R	89.1	Confident	90.4	Very high	173 Å²	173	63.3 Å²	63.3	65%	0.653	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.4	136	176	-165.5	176.5	75.3	102	-5.1	110.1	H556	R550-H556 PolarHBondContact O-CE1 3.24Å
551	F	90.6	Very high	90.8	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.009	32%	0.321	C	S	.	.			trans	-66.7	149.3	172.5	-163.6	-100.2	0	0	0	111.1	N549 E553 H556 P557 L561 E568 C570	N549-F551 PolarHBondContact O-N 3.49Å; F551-E553 WeakPolarHBondContact CE1-OE2 3.45Å; F551-H556 HydrophobicContact CD2-CB 3.87Å; F551-H556 HydrophobicContact CE2-CB 3.48Å; F551-H556 VanDerWaalsContact CE2-CB 3.48Å; F551-H556 HydrophobicContact CZ-CB 3.97Å; F551-H556 WeakPolarHBondContact CZ-O 3.46Å; F551-P557 WeakPolarHBondContact CE2-O 3.26Å; F551-L561 HydrophobicContact CB-CD1 3.92Å; F551-L561 HydrophobicContact CD1-CD1 3.86Å; F551-L561 HydrophobicContact CD2-CB 4Å; F551-L561 HydrophobicContact CD2-CD1 3.81Å; F551-L561 HydrophobicContact CD2-CG 4.49Å; F551-L561 HydrophobicContact CE1-CD1 4.35Å; F551-L561 HydrophobicContact CE2-CB 3.74Å; F551-L561 HydrophobicContact CE2-CD1 4.3Å; F551-L561 HydrophobicContact CG-CD1 3.58Å; F551-L561 HydrophobicContact CZ-CB 4.08Å; F551-E568 HydrophobicContact CB-CB 3.64Å; F551-E568 PolarHBondContact N-O 2.81Å; F551-C570 HydrophobicContact CD2-CB 3.96Å
552	V	91.9	Very high	90.9	Very high	53 Å²	53	64.9 Å²	64.9	32%	0.321	33%	0.331	S	S	.	.			trans	-142.2	103.6	179.1	-179.2	0	0	0	0	107.1	R555 H556	V552-R555 HydrophobicContact CB-CB 4.15Å; V552-R555 HydrophobicContact CG1-CB 3.91Å; V552-R555 PolarHBondContact O-N 3.12Å; V552-R555 VanDerWaalsContact O-N 3.09Å; V552-H556 PolarHBondContact N-ND1 3.48Å; V552-H556 PolarHBondContact O-N 3.17Å
553	E	89.8	Confident	90.8	Very high	108 Å²	108	70.2 Å²	70.2	51%	0.505	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	138.2	177	-171.8	63.4	-157.4	0	0	110.6	F551 R555 R558	F551-E553 WeakPolarHBondContact CE1-OE2 3.45Å; E553-R555 PolarHBondContact O-N 3.34Å; E553-R558 IonicContact OE1-CZ 3.18Å; E553-R558 VanDerWaalsContact OE1-CZ 3.22Å; E553-R558 IonicContact OE1-NE 2.83Å; E553-R558 PolarHBondContact OE1-NE 3.03Å; E553-R558 IonicContact OE1-NH2 2.66Å; E553-R558 PolarHBondContact OE1-NH2 3.07Å; E553-R558 IonicContact OE2-NE 2.75Å
554	G	87.6	Confident	90.2	Very high	82 Å²	82	72.9 Å²	72.9	85%	0.845	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	-15.4	-176.6	0	0	0	0	0	115.8
555	R	89.4	Confident	89.6	Confident	184 Å²	184	78.9 Å²	78.9	69%	0.694	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-41.4	171.4	-176.1	-176.6	174.8	174.6	-0.9	112.7	V552 E553	V552-R555 HydrophobicContact CB-CB 4.15Å; V552-R555 HydrophobicContact CG1-CB 3.91Å; V552-R555 PolarHBondContact O-N 3.12Å; V552-R555 VanDerWaalsContact O-N 3.09Å; E553-R555 PolarHBondContact O-N 3.34Å
556	H	92.2	Very high	89	Confident	20 Å²	20	82.6 Å²	82.6	9%	0.093	44%	0.442	C	S	.	.	S	Bend	trans	-100.7	138.9	-176.8	-61.2	155	0	0	0	111	R550 F551 V552 C570	R550-H556 PolarHBondContact O-CE1 3.24Å; F551-H556 HydrophobicContact CD2-CB 3.87Å; F551-H556 HydrophobicContact CE2-CB 3.48Å; F551-H556 VanDerWaalsContact CE2-CB 3.48Å; F551-H556 HydrophobicContact CZ-CB 3.97Å; F551-H556 WeakPolarHBondContact CZ-O 3.46Å; V552-H556 PolarHBondContact N-ND1 3.48Å; V552-H556 PolarHBondContact O-N 3.17Å; H556-C570 HydrophobicContact CB-CB 4.41Å; H556-C570 VanDerWaalsContact CG-SG 3.6Å; H556-C570 WeakPolarHBondContact ND1-CB 3.3Å
557	P	92.1	Very high	88.8	Confident	50 Å²	50	87.8 Å²	87.8	33%	0.325	45%	0.452	S	S	.	.			trans	-59	138	173.4	-23.2	33.3	0	0	0	111.7	F551 D559 K560 Y618	F551-P557 WeakPolarHBondContact CE2-O 3.26Å; P557-D559 WeakPolarHBondContact CB-OD1 3.33Å; P557-D559 PolarHBondContact O-N 2.98Å; P557-K560 HydrophobicContact CB-CG 4.3Å; P557-K560 WeakPolarHBondContact O-CB 3.36Å; P557-K560 PolarHBondContact O-N 3.09Å; P557-Y618 WeakPolarHBondContact CD-OH 3.48Å; P557-Y618 HydrophobicContact CG-CE2 4.35Å
558	R	90.5	Very high	88.8	Confident	181 Å²	181	91.3 Å²	91.3	68%	0.683	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-67.4	-22.8	-176.6	-73.3	-175	176.2	175.8	-1.3	113.5	E553 K560 L561	E553-R558 IonicContact OE1-CZ 3.18Å; E553-R558 VanDerWaalsContact OE1-CZ 3.22Å; E553-R558 IonicContact OE1-NE 2.83Å; E553-R558 PolarHBondContact OE1-NE 3.03Å; E553-R558 IonicContact OE1-NH2 2.66Å; E553-R558 PolarHBondContact OE1-NH2 3.07Å; E553-R558 IonicContact OE2-NE 2.75Å; R558-K560 PolarHBondContact O-N 3.46Å; R558-L561 VanDerWaalsContact O-CB 3.3Å; R558-L561 WeakPolarHBondContact O-CB 3.41Å; R558-L561 PolarHBondContact O-N 3.1Å
559	D	92.8	Very high	88.8	Confident	126 Å²	126	90.7 Å²	90.7	67%	0.674	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-67.6	-18.3	171.5	58.5	-71.2	0	0	0	113.4	P557	P557-D559 WeakPolarHBondContact CB-OD1 3.33Å; P557-D559 PolarHBondContact O-N 2.98Å
560	K	91	Very high	88.9	Confident	25 Å²	25	86.4 Å²	86.4	11%	0.109	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-91.7	1.3	173.2	-57.4	-57.6	-170.7	-179.5	0	113.7	P557 R558 L562 C570 T571 D572 Y618 S620	P557-K560 HydrophobicContact CB-CG 4.3Å; P557-K560 WeakPolarHBondContact O-CB 3.36Å; P557-K560 PolarHBondContact O-N 3.09Å; R558-K560 PolarHBondContact O-N 3.46Å; K560-L562 PolarHBondContact O-N 3.01Å; K560-C570 WeakPolarHBondContact O-CA 3.25Å; K560-T571 PolarHBondContact O-N 2.97Å; K560-D572 HydrophobicContact CD-CB 4.43Å; K560-D572 IonicContact NZ-OD2 2.63Å; K560-D572 PolarHBondContact NZ-OD2 2.95Å; K560-Y618 HydrophobicContact CG-CD1 4.48Å; K560-Y618 HydrophobicContact CG-CE1 4.34Å; K560-S620 PolarHBondContact NZ-OG 2.81Å
561	L	91.9	Very high	89.1	Confident	58 Å²	58	79.5 Å²	79.5	30%	0.304	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	119.6	178.9	174.6	59.4	0	0	0	111.2	F551 R558 I563 E568	F551-L561 HydrophobicContact CB-CD1 3.92Å; F551-L561 HydrophobicContact CD1-CD1 3.86Å; F551-L561 HydrophobicContact CD2-CB 4Å; F551-L561 HydrophobicContact CD2-CD1 3.81Å; F551-L561 HydrophobicContact CD2-CG 4.49Å; F551-L561 HydrophobicContact CE1-CD1 4.35Å; F551-L561 HydrophobicContact CE2-CB 3.74Å; F551-L561 HydrophobicContact CE2-CD1 4.3Å; F551-L561 HydrophobicContact CG-CD1 3.58Å; F551-L561 HydrophobicContact CZ-CB 4.08Å; R558-L561 VanDerWaalsContact O-CB 3.3Å; R558-L561 WeakPolarHBondContact O-CB 3.41Å; R558-L561 PolarHBondContact O-N 3.1Å; L561-I563 HydrophobicContact CD1-CG1 4.13Å; L561-I563 HydrophobicContact CD2-CD1 4.5Å; L561-I563 HydrophobicContact CD2-CG1 4.4Å; L561-I563 HydrophobicContact CG-CG1 4.17Å; L561-E568 HydrophobicContact CD1-CB 3.74Å; L561-E568 HydrophobicContact CD1-CG 4.09Å
562	L	90.6	Very high	89.2	Confident	70 Å²	70	82.1 Å²	82.1	37%	0.366	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	109.1	170.5	176.2	64.5	0	0	0	109.8	L548 K560 W569 T571	L548-L562 HydrophobicContact CD2-CD2 4.32Å; K560-L562 PolarHBondContact O-N 3.01Å; L562-W569 HydrophobicContact CB-CB 4.39Å; L562-W569 PolarHBondContact N-O 2.87Å; L562-W569 WeakPolarHBondContact O-CB 3.28Å; L562-W569 PolarHBondContact O-N 3.33Å; L562-T571 HydrophobicContact CB-CG2 3.68Å; L562-T571 HydrophobicContact CD2-CG2 4Å; L562-T571 HydrophobicContact CG-CG2 4.46Å
563	I	89.3	Confident	89.3	Confident	112 Å²	112	80.6 Å²	80.6	57%	0.574	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	121.5	172	-53.8	-177.4	0	0	0	108.7	L561 R567 E568	L561-I563 HydrophobicContact CD1-CG1 4.13Å; L561-I563 HydrophobicContact CD2-CD1 4.5Å; L561-I563 HydrophobicContact CD2-CG1 4.4Å; L561-I563 HydrophobicContact CG-CG1 4.17Å; I563-R567 WeakPolarHBondContact CA-O 3.45Å; I563-E568 HydrophobicContact CG1-CG 4.38Å
564	K	80.9	Confident	89.5	Confident	59 Å²	59	75.9 Å²	75.9	26%	0.257	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	134.9	179.6	-165.7	-170.9	166	-111.3	0	111.5	G566 R567 A597	K564-G566 PolarHBondContact O-N 2.94Å; K564-R567 PolarHBondContact N-O 3.09Å; K564-R567 PolarHBondContact O-N 2.84Å; K564-R567 VanDerWaalsContact O-O 3.11Å; K564-A597 PolarHBondContact NZ-O 2.92Å
565	D	79	Confident	89.7	Confident	126 Å²	126	73.8 Å²	73.8	67%	0.674	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	38.8	179	-48.6	-41	0	0	0	112.1	R567	D565-R567 VanDerWaalsContact C-N 3.26Å; D565-R567 PolarHBondContact O-N 2.95Å
566	G	81.3	Confident	89.9	Confident	81 Å²	81	68.5 Å²	68.5	84%	0.835	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	13.3	-176.6	0	0	0	0	0	115.3	K564	K564-G566 PolarHBondContact O-N 2.94Å
567	R	85.5	Confident	90	Very high	137 Å²	137	67.9 Å²	67.9	52%	0.517	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.6	-179	-65.4	179.6	-178.6	153.8	4.6	111.7	I563 K564 D565 W569	I563-R567 WeakPolarHBondContact CA-O 3.45Å; K564-R567 PolarHBondContact N-O 3.09Å; K564-R567 PolarHBondContact O-N 2.84Å; K564-R567 VanDerWaalsContact O-O 3.11Å; D565-R567 VanDerWaalsContact C-N 3.26Å; D565-R567 PolarHBondContact O-N 2.95Å; R567-W569 HydrophobicContact CB-CZ2 4.42Å; R567-W569 VanDerWaalsContact O-CD1 3.31Å
568	E	91	Very high	90	Very high	100 Å²	100	65.6 Å²	65.6	47%	0.467	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.1	177	-58	179.1	169	0	0	110.5	F551 L561 I563	F551-E568 HydrophobicContact CB-CB 3.64Å; F551-E568 PolarHBondContact N-O 2.81Å; L561-E568 HydrophobicContact CD1-CB 3.74Å; L561-E568 HydrophobicContact CD1-CG 4.09Å; I563-E568 HydrophobicContact CG1-CG 4.38Å
569	W	89.8	Confident	90.1	Very high	68 Å²	68	58.3 Å²	58.3	26%	0.258	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	149.9	177.9	-57.3	89.6	0	0	0	110.2	L548 N549 L562 R567	L548-W569 HydrophobicContact CB-CE3 4.36Å; N549-W569 CarbonylContact O-C 3.44Å; N549-W569 VanDerWaalsContact O-CA 3.27Å; N549-W569 WeakPolarHBondContact O-CA 3.49Å; L562-W569 HydrophobicContact CB-CB 4.39Å; L562-W569 PolarHBondContact N-O 2.87Å; L562-W569 WeakPolarHBondContact O-CB 3.28Å; L562-W569 PolarHBondContact O-N 3.33Å; R567-W569 HydrophobicContact CB-CZ2 4.42Å; R567-W569 VanDerWaalsContact O-CD1 3.31Å
570	C	91.6	Very high	90	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125.9	167.4	-172.3	0	0	0	0	108.4	N549 F551 H556 K560 I573	N549-C570 PolarHBondContact N-O 2.83Å; N549-C570 PolarHBondContact O-N 3.4Å; F551-C570 HydrophobicContact CD2-CB 3.96Å; H556-C570 HydrophobicContact CB-CB 4.41Å; H556-C570 VanDerWaalsContact CG-SG 3.6Å; H556-C570 WeakPolarHBondContact ND1-CB 3.3Å; K560-C570 WeakPolarHBondContact O-CA 3.25Å; C570-I573 HydrophobicContact CB-CD1 3.66Å; C570-I573 HydrophobicContact CB-CG1 4.42Å
571	T	92.4	Very high	89.8	Confident	28 Å²	28	54.7 Å²	54.7	17%	0.172	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	165.7	176.7	66	0	0	0	0	112.1	L548 K560 L562 I573	L548-T571 HydrophobicContact CD2-CG2 3.95Å; K560-T571 PolarHBondContact O-N 2.97Å; L562-T571 HydrophobicContact CB-CG2 3.68Å; L562-T571 HydrophobicContact CD2-CG2 4Å; L562-T571 HydrophobicContact CG-CG2 4.46Å; T571-I573 PolarHBondContact O-N 3.34Å
572	D	92.2	Very high	89.7	Confident	56 Å²	56	55 Å²	55	30%	0.299	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	60.9	18.6	166.7	-48.1	-33.3	0	0	0	115.8	K560 F574 Y618 I619	K560-D572 HydrophobicContact CD-CB 4.43Å; K560-D572 IonicContact NZ-OD2 2.63Å; K560-D572 PolarHBondContact NZ-OD2 2.95Å; D572-F574 PolarHBondContact O-N 3.31Å; D572-Y618 CarbonylContact O-C 3.55Å; D572-Y618 WeakPolarHBondContact O-CA 3.4Å; D572-Y618 WeakPolarHBondContact O-CB 3.49Å; D572-I619 HydrophobicContact CB-CD1 4.28Å; D572-I619 HydrophobicContact CB-CG1 3.65Å; D572-I619 WeakPolarHBondContact O-CG1 3.32Å; D572-I619 PolarHBondContact O-N 2.85Å
573	I	93.5	Very high	89.6	Confident	21 Å²	21	54 Å²	54	11%	0.108	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	132.9	179.7	-72.2	167.2	0	0	0	110.1	G546 V547 N549 C570 T571 D575 Y618	G546-I573 WeakPolarHBondContact CA-O 3.42Å; V547-I573 HydrophobicContact CG2-CB 3.87Å; V547-I573 HydrophobicContact CG2-CG2 3.77Å; V547-I573 PolarHBondContact N-O 3.1Å; V547-I573 PolarHBondContact O-N 3.45Å; N549-I573 HydrophobicContact CB-CD1 3.44Å; N549-I573 VanDerWaalsContact CB-CD1 3.44Å; C570-I573 HydrophobicContact CB-CD1 3.66Å; C570-I573 HydrophobicContact CB-CG1 4.42Å; T571-I573 PolarHBondContact O-N 3.34Å; I573-D575 PolarHBondContact O-N 3.34Å; I573-Y618 HydrophobicContact CG1-CD1 4.22Å; I573-Y618 HydrophobicContact CG1-CE1 4.04Å
574	F	94.5	Very high	89.5	Confident	9 Å²	9	49 Å²	49	4%	0.039	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	100	172.4	-171.3	-80.1	0	0	0	109.4	T542 D572 R576 V616 T617 I619 V624	T542-F574 HydrophobicContact CG2-CE1 3.88Å; T542-F574 HydrophobicContact CG2-CZ 4.14Å; D572-F574 PolarHBondContact O-N 3.31Å; F574-R576 HydrophobicContact CD1-CB 4.29Å; F574-R576 HydrophobicContact CE1-CB 4.15Å; F574-R576 HydrophobicContact CE1-CG 4.36Å; F574-R576 PolarHBondContact O-N 3.05Å; F574-V616 HydrophobicContact CD1-CG2 4.07Å; F574-V616 HydrophobicContact CE1-CG2 4.1Å; F574-V616 HydrophobicContact CG-CG2 4.3Å; F574-V616 HydrophobicContact CZ-CG2 4.33Å; F574-T617 WeakPolarHBondContact CB-O 3.45Å; F574-T617 PolarHBondContact N-O 2.99Å; F574-I619 HydrophobicContact CB-CG2 4.3Å; F574-I619 HydrophobicContact CD2-CG2 4.07Å; F574-V624 HydrophobicContact CD2-CG1 3.96Å; F574-V624 HydrophobicContact CE2-CG1 3.91Å
575	D	93.1	Very high	89.8	Confident	39 Å²	39	48 Å²	48	21%	0.209	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	109.4	173	-177.5	20	0	0	0	110	G544 V545 V547 I573 R592 Y594	G544-D575 CarbonylContact C-O 3.36Å; G544-D575 WeakPolarHBondContact CA-O 3.2Å; V545-D575 HydrophobicContact CG2-CB 4.3Å; V545-D575 PolarHBondContact N-O 3.45Å; V545-D575 PolarHBondContact O-N 2.89Å; V547-D575 HydrophobicContact CG1-CB 3.77Å; V547-D575 HydrophobicContact CG2-CB 3.92Å; I573-D575 PolarHBondContact O-N 3.34Å; D575-R592 IonicContact OD1-NE 2.9Å; D575-R592 IonicContact OD2-NE 2.92Å; D575-Y594 WeakPolarHBondContact OD2-CE1 3.43Å; D575-Y594 PolarHBondContact OD2-OH 2.9Å
576	R	93.2	Very high	90.1	Very high	72 Å²	72	44.8 Å²	44.8	27%	0.272	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	128	-172.3	-171.5	-172	-71.9	79.2	4.6	111.3	T542 F574 S579 R592 D614 V616	T542-R576 HydrophobicContact CG2-CG 3.88Å; F574-R576 HydrophobicContact CD1-CB 4.29Å; F574-R576 HydrophobicContact CE1-CB 4.15Å; F574-R576 HydrophobicContact CE1-CG 4.36Å; F574-R576 PolarHBondContact O-N 3.05Å; R576-S579 WeakPolarHBondContact CD-OG 3.31Å; R576-R592 PolarHBondContact O-NH2 2.82Å; R576-D614 IonicContact CZ-OD1 2.9Å; R576-D614 IonicContact NE-OD1 3.95Å; R576-D614 PolarHBondContact NE-OD1 3.38Å; R576-D614 PolarHBondContact NH2-O 3.36Å; R576-D614 IonicContact NH2-OD1 2.98Å; R576-V616 PolarHBondContact NH2-O 3.1Å
577	F	92.9	Very high	90.2	Very high	8 Å²	8	42.4 Å²	42.4	4%	0.035	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-44.3	170.4	-82.9	-113.5	0	0	0	111.3	Y543 V545 V590 R592 Y594 A663 M665 F667	Y543-F577 PolarHBondContact O-N 2.92Å; V545-F577 HydrophobicContact CB-CE2 4.44Å; V545-F577 HydrophobicContact CG1-CD2 4.36Å; V545-F577 HydrophobicContact CG1-CE2 3.8Å; V545-F577 HydrophobicContact CG1-CZ 4.47Å; V545-F577 HydrophobicContact CG2-CE2 3.87Å; F577-V590 HydrophobicContact CB-CG1 4.14Å; F577-V590 HydrophobicContact CD1-CB 3.92Å; F577-V590 HydrophobicContact CD1-CG1 3.65Å; F577-V590 HydrophobicContact CE1-CG1 4.43Å; F577-V590 HydrophobicContact CG-CG1 4.15Å; F577-R592 HydrophobicContact CD1-CG 4.38Å; F577-R592 HydrophobicContact CD2-CG 4.27Å; F577-R592 HydrophobicContact CE1-CB 4.21Å; F577-R592 HydrophobicContact CE1-CG 3.81Å; F577-R592 HydrophobicContact CE2-CB 4.24Å; F577-R592 HydrophobicContact CE2-CG 3.68Å; F577-R592 HydrophobicContact CZ-CB 3.67Å; F577-R592 HydrophobicContact CZ-CG 3.44Å; F577-R592 VanDerWaalsContact CZ-CG 3.44Å; F577-Y594 VanDerWaalsContact CE2-OH 3.25Å; F577-Y594 WeakPolarHBondContact CE2-OH 3.45Å; F577-Y594 HydrophobicContact CZ-CE2 4.42Å; F577-A663 HydrophobicContact CZ-CB 4.14Å; F577-M665 HydrophobicContact CB-SD 3.75Å; F577-M665 HydrophobicContact CD1-CB 3.82Å; F577-M665 HydrophobicContact CD1-CE 4.26Å; F577-M665 HydrophobicContact CD1-CG 3.62Å; F577-M665 HydrophobicContact CD1-SD 3.57Å; F577-M665 VanDerWaalsContact CD1-SD 3.57Å; F577-M665 HydrophobicContact CD2-CE 4.04Å; F577-M665 HydrophobicContact CD2-SD 4.07Å; F577-M665 HydrophobicContact CE1-CB 4.27Å; F577-M665 HydrophobicContact CE1-CE 4.35Å; F577-M665 HydrophobicContact CE1-CG 3.83Å; F577-M665 HydrophobicContact CE1-SD 4.14Å; F577-M665 HydrophobicContact CE2-CE 4.12Å; F577-M665 HydrophobicContact CG-CE 4.11Å; F577-M665 HydrophobicContact CG-CG 4.23Å; F577-M665 HydrophobicContact CG-SD 3.53Å; F577-M665 VanDerWaalsContact CG-SD 3.53Å; F577-M665 HydrophobicContact CZ-CE 4.27Å; F577-F667 HydrophobicContact CB-CE2 4.35Å; F577-F667 HydrophobicContact CB-CZ 4.2Å
578	V	92.7	Very high	90.3	Very high	1 Å²	1	39 Å²	39	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	141.7	-179.5	69.3	0	0	0	0	109.8	C539 T542 Y543 Q582 V584 F667	C539-V578 HydrophobicContact CB-CG2 3.97Å; C539-V578 VanDerWaalsContact SG-CG1 3.6Å; T542-V578 WeakPolarHBondContact CA-O 3.14Å; T542-V578 WeakPolarHBondContact CG2-O 3.35Å; Y543-V578 HydrophobicContact CD2-CG1 3.74Å; Y543-V578 HydrophobicContact CG-CG1 4.32Å; Y543-V578 PolarHBondContact N-O 2.97Å; Y543-V578 PolarHBondContact O-N 2.87Å; V578-Q582 HydrophobicContact CG2-CB 3.85Å; V578-Q582 HydrophobicContact CG2-CG 4.07Å; V578-V584 HydrophobicContact CG2-CG1 3.72Å; V578-F667 HydrophobicContact CB-CE1 4.23Å; V578-F667 HydrophobicContact CB-CE2 4.17Å; V578-F667 HydrophobicContact CB-CZ 3.95Å; V578-F667 HydrophobicContact CG1-CD1 4.17Å; V578-F667 HydrophobicContact CG1-CE1 3.48Å; V578-F667 VanDerWaalsContact CG1-CE1 3.48Å; V578-F667 HydrophobicContact CG1-CE2 4.24Å; V578-F667 HydrophobicContact CG1-CZ 3.52Å
579	S	92.6	Very high	90.2	Very high	28 Å²	28	36.9 Å²	36.9	20%	0.196	20%	0.203	C	C	.	.			trans	-81	151.6	173.4	-82	0	0	0	0	112.1	C539 R576 Q582 D614	C539-S579 WeakPolarHBondContact CB-O 3.02Å; R576-S579 WeakPolarHBondContact CD-OG 3.31Å; S579-Q582 VanDerWaalsContact O-CB 3.26Å; S579-Q582 WeakPolarHBondContact O-CB 3.4Å; S579-Q582 PolarHBondContact O-N 3.14Å; S579-D614 WeakPolarHBondContact CB-OD2 3.47Å; S579-D614 VanDerWaalsContact OG-CG 3.25Å; S579-D614 PolarHBondContact OG-OD1 3.4Å; S579-D614 VanDerWaalsContact OG-OD1 3.11Å; S579-D614 PolarHBondContact OG-OD2 2.72Å
580	I	90.6	Very high	90.2	Very high	25 Å²	25	34.5 Å²	34.5	13%	0.128	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	143.9	158.6	-173.3	167.4	0	0	0	109	P540 T542 Q582 A612 D614	P540-I580 VanDerWaalsContact O-CD1 3.29Å; P540-I580 WeakPolarHBondContact O-CD1 3.49Å; T542-I580 PolarHBondContact OG1-N 3.3Å; T542-I580 VanDerWaalsContact OG1-N 3.12Å; I580-Q582 PolarHBondContact O-N 2.88Å; I580-Q582 VanDerWaalsContact O-N 3.08Å; I580-A612 WeakPolarHBondContact CD1-O 3.49Å; I580-D614 HydrophobicContact CG2-CB 3.84Å
581	D	87.5	Confident	90.2	Very high	51 Å²	51	42.2 Å²	42.2	27%	0.273	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	25.8	-179.6	-83.1	-61.4	0	0	0	113.2	K346 R538 C539	K346-D581 WeakPolarHBondContact CE-OD2 3.4Å; K346-D581 IonicContact NZ-OD2 3.12Å; K346-D581 PolarHBondContact NZ-OD2 3.05Å; R538-D581 IonicContact CZ-OD1 3.96Å; R538-D581 IonicContact NE-OD1 3.02Å; R538-D581 PolarHBondContact NH1-O 3.26Å; R538-D581 PolarHBondContact NH2-O 3.03Å; R538-D581 IonicContact NH2-OD1 3.67Å; R538-D581 PolarHBondContact NH2-OD1 3.46Å; C539-D581 PolarHBondContact O-N 2.93Å
582	Q	89.8	Confident	90.1	Very high	64 Å²	64	45 Å²	45	30%	0.299	23%	0.233	S	C	.	.			trans	-83.3	136.8	160	-173.1	172.7	-23.4	0	0	109.7	C539 V578 S579 I580 V584	C539-Q582 PolarHBondContact N-O 3.19Å; V578-Q582 HydrophobicContact CG2-CB 3.85Å; V578-Q582 HydrophobicContact CG2-CG 4.07Å; S579-Q582 VanDerWaalsContact O-CB 3.26Å; S579-Q582 WeakPolarHBondContact O-CB 3.4Å; S579-Q582 PolarHBondContact O-N 3.14Å; I580-Q582 PolarHBondContact O-N 2.88Å; I580-Q582 VanDerWaalsContact O-N 3.08Å; Q582-V584 HydrophobicContact CG-CG1 4.5Å
583	S	88.4	Confident	90	Very high	50 Å²	50	45.7 Å²	45.7	35%	0.35	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	124.9	169.8	-59.4	0	0	0	0	109.2	R537 R538	R537-S583 WeakPolarHBondContact O-CA 3.48Å; R538-S583 PolarHBondContact NH1-OG 3.36Å
584	V	87.7	Confident	89.7	Confident	6 Å²	6	46.7 Å²	46.7	4%	0.036	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129	-179.9	-71.4	0	0	0	0	110.5	V536 R537 V578 Q582 E588 F667	V536-V584 WeakPolarHBondContact CA-O 3.44Å; R537-V584 HydrophobicContact CB-CG2 4.43Å; R537-V584 PolarHBondContact N-O 3.08Å; R537-V584 WeakPolarHBondContact O-CG2 3.31Å; R537-V584 PolarHBondContact O-N 3.07Å; V578-V584 HydrophobicContact CG2-CG1 3.72Å; Q582-V584 HydrophobicContact CG-CG1 4.5Å; V584-E588 WeakPolarHBondContact CA-OE2 3.49Å; V584-F667 HydrophobicContact CB-CB 3.98Å; V584-F667 HydrophobicContact CG1-CB 4.02Å; V584-F667 HydrophobicContact CG1-CG 4.48Å; V584-F667 HydrophobicContact CG2-CB 4.21Å
585	A	87.1	Confident	89.3	Confident	39 Å²	39	49.7 Å²	49.7	32%	0.322	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	153.3	176.2	0	0	0	0	0	111.8	R535 G587 E588 G668	R535-A585 CarbonylContact O-C 3.54Å; R535-A585 WeakPolarHBondContact O-CA 3.22Å; A585-G587 PolarHBondContact O-N 2.77Å; A585-G587 VanDerWaalsContact O-N 3.13Å; A585-E588 HydrophobicContact CB-CB 4.29Å; A585-E588 PolarHBondContact N-OE2 2.86Å; A585-E588 WeakPolarHBondContact O-CB 3.21Å; A585-E588 PolarHBondContact O-N 2.95Å; A585-G668 WeakPolarHBondContact O-CA 3.48Å
586	L	84.6	Confident	88.7	Confident	57 Å²	57	49.2 Å²	49.2	30%	0.298	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	115.9	176.1	-177.5	67	0	0	0	111	T532 R535 E588 G668 D669	T532-L586 HydrophobicContact CG2-CD2 4.19Å; R535-L586 PolarHBondContact O-N 3.29Å; L586-E588 VanDerWaalsContact C-N 3.35Å; L586-G668 WeakPolarHBondContact CD1-O 3.43Å; L586-D669 WeakPolarHBondContact CD1-OD1 3.26Å
587	G	84.3	Confident	87.9	Confident	32 Å²	32	48.4 Å²	48.4	33%	0.33	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	20.3	-176.8	0	0	0	0	0	114	A585 V589 F667	A585-G587 PolarHBondContact O-N 2.77Å; A585-G587 VanDerWaalsContact O-N 3.13Å; G587-V589 WeakPolarHBondContact O-CG2 3.36Å; G587-F667 PolarHBondContact N-O 3.4Å
588	E	87.1	Confident	86.9	Confident	65 Å²	65	56.4 Å²	56.4	30%	0.304	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	132.1	170.3	-173.7	175.1	147.2	0	0	110.2	V584 A585 L586 Q666 F667	V584-E588 WeakPolarHBondContact CA-OE2 3.49Å; A585-E588 HydrophobicContact CB-CB 4.29Å; A585-E588 PolarHBondContact N-OE2 2.86Å; A585-E588 WeakPolarHBondContact O-CB 3.21Å; A585-E588 PolarHBondContact O-N 2.95Å; L586-E588 VanDerWaalsContact C-N 3.35Å; E588-Q666 CarbonylContact O-C 3.56Å; E588-Q666 WeakPolarHBondContact O-CA 3.03Å; E588-F667 PolarHBondContact N-O 2.74Å; E588-F667 PolarHBondContact O-N 3.15Å
589	V	89.3	Confident	85.9	Confident	55 Å²	55	63.9 Å²	63.9	33%	0.333	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	114.7	-171	179.6	0	0	0	0	110.7	G587 R591 T664 M665 Q666	G587-V589 WeakPolarHBondContact O-CG2 3.36Å; V589-R591 HydrophobicContact CG1-CG 3.98Å; V589-T664 HydrophobicContact CG1-CG2 3.17Å; V589-M665 WeakPolarHBondContact CA-O 3.43Å; V589-Q666 HydrophobicContact CG2-CB 4.24Å; V589-Q666 HydrophobicContact CG2-CG 4.22Å
590	V	89.4	Confident	85	Confident	18 Å²	18	64.9 Å²	64.9	11%	0.109	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	124.7	172.2	-176.8	0	0	0	0	109.3	F577 T664 M665 F667	F577-V590 HydrophobicContact CB-CG1 4.14Å; F577-V590 HydrophobicContact CD1-CB 3.92Å; F577-V590 HydrophobicContact CD1-CG1 3.65Å; F577-V590 HydrophobicContact CE1-CG1 4.43Å; F577-V590 HydrophobicContact CG-CG1 4.15Å; V590-T664 WeakPolarHBondContact O-CA 3.32Å; V590-M665 PolarHBondContact N-O 3.25Å; V590-M665 PolarHBondContact O-N 3.14Å; V590-F667 HydrophobicContact CB-CE2 4.11Å; V590-F667 HydrophobicContact CG2-CD2 4.05Å; V590-F667 HydrophobicContact CG2-CE2 3.89Å
591	R	91.1	Very high	84.4	Confident	162 Å²	162	66.3 Å²	66.3	61%	0.611	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	142.6	179.8	-60.4	-178.4	178.8	133.2	1.6	110.8	V589 A663 T664	V589-R591 HydrophobicContact CG1-CG 3.98Å; R591-A663 WeakPolarHBondContact CA-O 3.23Å; R591-T664 HydrophobicContact CG-CG2 4.03Å
592	R	90.4	Very high	84.1	Confident	86 Å²	86	71 Å²	71	33%	0.325	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	149.4	169.5	-64.9	-69.6	-177.6	-93	-3.8	109.2	D575 R576 F577 Y594 R662 A663	D575-R592 IonicContact OD1-NE 2.9Å; D575-R592 IonicContact OD2-NE 2.92Å; R576-R592 PolarHBondContact O-NH2 2.82Å; F577-R592 HydrophobicContact CD1-CG 4.38Å; F577-R592 HydrophobicContact CD2-CG 4.27Å; F577-R592 HydrophobicContact CE1-CB 4.21Å; F577-R592 HydrophobicContact CE1-CG 3.81Å; F577-R592 HydrophobicContact CE2-CB 4.24Å; F577-R592 HydrophobicContact CE2-CG 3.68Å; F577-R592 HydrophobicContact CZ-CB 3.67Å; F577-R592 HydrophobicContact CZ-CG 3.44Å; F577-R592 VanDerWaalsContact CZ-CG 3.44Å; R592-Y594 HydrophobicContact CB-CE1 4.16Å; R592-Y594 HydrophobicContact CB-CE2 3.84Å; R592-Y594 VanDerWaalsContact CB-CZ 3.5Å; R592-Y594 WeakPolarHBondContact CB-OH 3.38Å; R592-Y594 WeakPolarHBondContact CG-OH 3.36Å; R592-R662 CarbonylContact O-C 3.05Å; R592-A663 PolarHBondContact N-O 3.01Å; R592-A663 PolarHBondContact O-N 3.44Å; R592-A663 VanDerWaalsContact O-O 3.09Å
593	S	90	Very high	83.8	Confident	71 Å²	71	72.9 Å²	72.9	50%	0.497	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.2	-179.7	-63.1	0	0	0	0	109.3	E660	S593-E660 WeakPolarHBondContact CB-OE1 3.38Å; S593-E660 PolarHBondContact OG-OE1 3.21Å
594	Y	88.5	Confident	83.5	Confident	43 Å²	43	71.3 Å²	71.3	17%	0.169	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	161	-178.7	-56.5	-58.4	0	0	0	110.2	V545 V547 D575 F577 R592 I606 I661 A663	V545-Y594 HydrophobicContact CG2-CE2 4.03Å; V545-Y594 WeakPolarHBondContact CG2-OH 3.45Å; V547-Y594 HydrophobicContact CG1-CD1 4.24Å; V547-Y594 HydrophobicContact CG1-CE1 3.69Å; D575-Y594 WeakPolarHBondContact OD2-CE1 3.43Å; D575-Y594 PolarHBondContact OD2-OH 2.9Å; F577-Y594 VanDerWaalsContact CE2-OH 3.25Å; F577-Y594 WeakPolarHBondContact CE2-OH 3.45Å; F577-Y594 HydrophobicContact CZ-CE2 4.42Å; R592-Y594 HydrophobicContact CB-CE1 4.16Å; R592-Y594 HydrophobicContact CB-CE2 3.84Å; R592-Y594 VanDerWaalsContact CB-CZ 3.5Å; R592-Y594 WeakPolarHBondContact CB-OH 3.38Å; R592-Y594 WeakPolarHBondContact CG-OH 3.36Å; Y594-I606 HydrophobicContact CD2-CD1 4.47Å; Y594-I661 PolarHBondContact N-O 2.84Å; Y594-I661 PolarHBondContact O-N 3.48Å; Y594-A663 HydrophobicContact CD2-CB 3.92Å; Y594-A663 HydrophobicContact CE2-CB 3.61Å
595	T	84.5	Confident	83.4	Confident	71 Å²	71	75.8 Å²	75.8	44%	0.436	40%	0.399	S	S	.	.			trans	-123.1	144.9	174.2	57.3	0	0	0	0	109.8	A597 R658	T595-A597 PolarHBondContact O-N 3.36Å; T595-R658 HydrophobicContact CG2-CB 4.01Å
596	P	82.1	Confident	83.4	Confident	29 Å²	29	74.7 Å²	74.7	19%	0.188	39%	0.388	C	S	.	.			trans	-56.4	137.9	176.8	-26.2	34.2	0	0	0	112.6	R598 Q601 I604 L634 R659 I661	P596-R598 PolarHBondContact O-N 3.3Å; P596-Q601 HydrophobicContact CB-CB 4.08Å; P596-I604 HydrophobicContact CB-CD1 4.03Å; P596-I604 HydrophobicContact CG-CD1 4.07Å; P596-L634 HydrophobicContact CG-CD1 4.14Å; P596-R659 WeakPolarHBondContact CD-O 3.45Å; P596-R659 HydrophobicContact CG-CB 4.34Å; P596-R659 HydrophobicContact CG-CG 4.43Å; P596-I661 HydrophobicContact CG-CG1 4.38Å
597	A	74.4	Confident	83.6	Confident	56 Å²	56	74.2 Å²	74.2	46%	0.463	39%	0.386	S	S	.	.	S	Bend	trans	-77.5	-4.7	-177.5	0	0	0	0	0	113.8	L548 K564 T595 Q601	L548-A597 HydrophobicContact CD1-CB 4.2Å; K564-A597 PolarHBondContact NZ-O 2.92Å; T595-A597 PolarHBondContact O-N 3.36Å; A597-Q601 VanDerWaalsContact N-OE1 3.11Å
598	R	72.7	Confident	83.9	Confident	176 Å²	176	72.8 Å²	72.8	66%	0.664	37%	0.37	S	S	*	.	S	Bend	trans	-141.4	140.3	175.3	-57.3	-178.1	-170.1	-162.5	2	110	P596 Q601	P596-R598 PolarHBondContact O-N 3.3Å; R598-Q601 HydrophobicContact CB-CB 4.32Å; R598-Q601 VanDerWaalsContact O-CB 3.27Å; R598-Q601 WeakPolarHBondContact O-CB 3.17Å; R598-Q601 PolarHBondContact O-N 3.46Å
599	V	72.2	Confident	84	Confident	157 Å²	157	71 Å²	71	95%	0.952	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	138.5	167.3	-177.1	0	0	0	0	108.5	Q601	V599-Q601 VanDerWaalsContact C-N 3.26Å; V599-Q601 PolarHBondContact O-N 2.94Å
600	G	73.3	Confident	84.1	Confident	50 Å²	50	68.4 Å²	68.4	52%	0.515	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	9.3	-177.7	0	0	0	0	0	115.5	R602	G600-R602 PolarHBondContact O-N 3.38Å
601	Q	77.3	Confident	84.2	Confident	54 Å²	54	67.7 Å²	67.7	25%	0.252	34%	0.341	S	S	.	.			trans	-58.8	120.2	175.2	-179.2	166.4	-5.2	0	0	110.9	P596 A597 R598 V599 K603 I604 L634	P596-Q601 HydrophobicContact CB-CB 4.08Å; A597-Q601 VanDerWaalsContact N-OE1 3.11Å; R598-Q601 HydrophobicContact CB-CB 4.32Å; R598-Q601 VanDerWaalsContact O-CB 3.27Å; R598-Q601 WeakPolarHBondContact O-CB 3.17Å; R598-Q601 PolarHBondContact O-N 3.46Å; V599-Q601 VanDerWaalsContact C-N 3.26Å; V599-Q601 PolarHBondContact O-N 2.94Å; Q601-K603 VanDerWaalsContact CG-O 3.25Å; Q601-K603 WeakPolarHBondContact CG-O 3.41Å; Q601-K603 PolarHBondContact NE2-O 3.38Å; Q601-I604 HydrophobicContact CG-CD1 4.46Å; Q601-L634 VanDerWaalsContact O-CD1 3.26Å; Q601-L634 WeakPolarHBondContact O-CD1 3.34Å
602	R	81.1	Confident	84.1	Confident	149 Å²	149	63.4 Å²	63.4	56%	0.562	34%	0.341	S	S	*	.			trans	-92.4	-6.2	-177.2	-58.8	-176.3	77	116	4.4	114.7	G600 L634 E636	G600-R602 PolarHBondContact O-N 3.38Å; R602-L634 PolarHBondContact O-N 3.44Å; R602-E636 IonicContact CZ-OE1 2.71Å; R602-E636 IonicContact NH1-OE1 3.75Å; R602-E636 PolarHBondContact NH1-OE1 3.47Å; R602-E636 IonicContact NH2-OE1 2.68Å; R602-E636 PolarHBondContact NH2-OE1 2.87Å
603	K	83.5	Confident	84	Confident	105 Å²	105	62.2 Å²	62.2	46%	0.457	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	129.4	-175.3	-172.3	168	-167.7	170.1	0	110.3	Q601 I605 T631 D633	Q601-K603 VanDerWaalsContact CG-O 3.25Å; Q601-K603 WeakPolarHBondContact CG-O 3.41Å; Q601-K603 PolarHBondContact NE2-O 3.38Å; K603-I605 HydrophobicContact CG-CG1 4.48Å; K603-T631 HydrophobicContact CD-CG2 4.27Å; K603-T631 HydrophobicContact CG-CG2 4.19Å; K603-D633 WeakPolarHBondContact CD-OD1 3.2Å; K603-D633 WeakPolarHBondContact CG-OD1 3.48Å
604	I	83.1	Confident	83.9	Confident	17 Å²	17	61.7 Å²	61.7	9%	0.087	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.7	175	-69.9	-78.1	0	0	0	108.2	P596 Q601 I606 T631 L632 L634 I661	P596-I604 HydrophobicContact CB-CD1 4.03Å; P596-I604 HydrophobicContact CG-CD1 4.07Å; Q601-I604 HydrophobicContact CG-CD1 4.46Å; I604-I606 HydrophobicContact CG2-CD1 4.33Å; I604-I606 HydrophobicContact CG2-CG1 3.87Å; I604-T631 WeakPolarHBondContact O-CA 3.41Å; I604-L632 HydrophobicContact CB-CB 4.36Å; I604-L632 PolarHBondContact N-O 3.13Å; I604-L632 PolarHBondContact O-N 2.89Å; I604-L634 HydrophobicContact CD1-CD1 4.27Å; I604-L634 HydrophobicContact CG1-CD1 3.49Å; I604-L634 VanDerWaalsContact CG1-CD1 3.49Å; I604-L634 HydrophobicContact CG1-CD2 4.36Å; I604-L634 HydrophobicContact CG1-CG 4.01Å; I604-I661 HydrophobicContact CD1-CG1 4.42Å; I604-I661 HydrophobicContact CG1-CG1 4.19Å; I604-I661 HydrophobicContact CG2-CG2 4.4Å
605	I	85.3	Confident	83.9	Confident	100 Å²	100	66 Å²	66	51%	0.513	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	118.8	175.5	-57.3	178.1	0	0	0	106.8	K603 T629 I630	K603-I605 HydrophobicContact CG-CG1 4.48Å; I605-T629 HydrophobicContact CG2-CG2 3.45Å; I605-T629 VanDerWaalsContact CG2-CG2 3.45Å; I605-I630 CarbonylContact C-O 3.59Å; I605-I630 VanDerWaalsContact CA-O 3.32Å; I605-I630 WeakPolarHBondContact CA-O 3.32Å
606	I	87.1	Confident	84.3	Confident	15 Å²	15	62.9 Å²	62.9	8%	0.077	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	107.3	176.2	-54.7	177.9	0	0	0	107	V545 Y594 I604 T629 I630 A663 A676	V545-I606 HydrophobicContact CB-CG2 3.86Å; V545-I606 HydrophobicContact CG1-CG2 3.66Å; V545-I606 HydrophobicContact CG2-CG2 4.33Å; Y594-I606 HydrophobicContact CD2-CD1 4.47Å; I604-I606 HydrophobicContact CG2-CD1 4.33Å; I604-I606 HydrophobicContact CG2-CG1 3.87Å; I606-T629 CarbonylContact O-C 3.55Å; I606-T629 WeakPolarHBondContact O-CA 3.44Å; I606-I630 HydrophobicContact CB-CB 4.27Å; I606-I630 PolarHBondContact N-O 2.9Å; I606-I630 PolarHBondContact O-N 2.79Å; I606-A663 HydrophobicContact CD1-CB 4Å; I606-A676 HydrophobicContact CD1-CB 4.29Å
607	N	88.9	Confident	84.8	Confident	48 Å²	48	65.1 Å²	65.1	26%	0.257	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	128.7	173	-68.1	-43.9	0	0	0	109.1	V545 G546 Y609 K626	V545-N607 WeakPolarHBondContact CA-O 3.34Å; V545-N607 WeakPolarHBondContact CB-O 3.36Å; G546-N607 PolarHBondContact N-O 2.86Å; N607-Y609 HydrophobicContact CB-CD2 4.31Å; N607-Y609 HydrophobicContact CB-CE2 3.37Å; N607-Y609 WeakPolarHBondContact CB-OH 3.4Å; N607-Y609 WeakPolarHBondContact O-CD2 3.5Å; N607-Y609 WeakPolarHBondContact O-CE2 3.34Å; N607-K626 WeakPolarHBondContact OD1-CE 3.48Å; N607-K626 PolarHBondContact OD1-NZ 2.82Å
608	I	89.6	Confident	85.7	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	136.3	176.4	-51.8	171.4	0	0	0	108	V545 C627 G628 I630 M665 V674 I689	V545-I608 HydrophobicContact CG1-CG1 4.43Å; I608-C627 PolarHBondContact O-N 3.1Å; I608-G628 PolarHBondContact N-O 2.66Å; I608-G628 PolarHBondContact O-N 2.99Å; I608-I630 HydrophobicContact CD1-CD1 4.16Å; I608-I630 HydrophobicContact CD1-CG1 4.05Å; I608-M665 HydrophobicContact CD1-CE 4.33Å; I608-M665 HydrophobicContact CG1-CE 4.11Å; I608-M665 HydrophobicContact CG2-CE 3.87Å; I608-V674 HydrophobicContact CD1-CB 4.47Å; I608-V674 HydrophobicContact CD1-CG1 4.49Å; I608-V674 HydrophobicContact CD1-CG2 4.08Å; I608-I689 HydrophobicContact CD1-CD1 4.04Å; I608-I689 HydrophobicContact CD1-CG1 3.83Å; I608-I689 HydrophobicContact CD1-CG2 4.47Å
609	Y	91.1	Very high	86.8	Confident	28 Å²	28	56.7 Å²	56.7	11%	0.11	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	156.3	-179.3	-61.1	-96.1	0	0	0	110.4	Y543 G544 N607 I619 V624 R625 K626 C627	Y543-Y609 WeakPolarHBondContact CA-O 3.41Å; G544-Y609 PolarHBondContact N-O 2.79Å; G544-Y609 PolarHBondContact O-N 3Å; N607-Y609 HydrophobicContact CB-CD2 4.31Å; N607-Y609 HydrophobicContact CB-CE2 3.37Å; N607-Y609 WeakPolarHBondContact CB-OH 3.4Å; N607-Y609 WeakPolarHBondContact O-CD2 3.5Å; N607-Y609 WeakPolarHBondContact O-CE2 3.34Å; Y609-I619 HydrophobicContact CD1-CB 4.03Å; Y609-I619 HydrophobicContact CD1-CG2 4.16Å; Y609-I619 HydrophobicContact CD2-CB 4.32Å; Y609-I619 HydrophobicContact CD2-CG2 3.62Å; Y609-I619 HydrophobicContact CE1-CB 3.94Å; Y609-I619 HydrophobicContact CE1-CD1 4.2Å; Y609-I619 HydrophobicContact CE1-CG2 4.29Å; Y609-I619 HydrophobicContact CE2-CB 4.22Å; Y609-I619 HydrophobicContact CE2-CD1 4.07Å; Y609-I619 HydrophobicContact CE2-CG2 3.75Å; Y609-I619 HydrophobicContact CG-CB 4.24Å; Y609-I619 HydrophobicContact CG-CG2 3.85Å; Y609-I619 WeakPolarHBondContact OH-CD1 3.42Å; Y609-V624 HydrophobicContact CD1-CG1 4.07Å; Y609-V624 HydrophobicContact CG-CG1 4.31Å; Y609-R625 CarbonylContact C-O 3.59Å; Y609-R625 VanDerWaalsContact CA-O 3.29Å; Y609-R625 WeakPolarHBondContact CA-O 3.42Å; Y609-K626 HydrophobicContact CD1-CB 3.99Å; Y609-K626 HydrophobicContact CE1-CB 3.8Å; Y609-K626 HydrophobicContact CE1-CG 4.2Å; Y609-C627 VanDerWaalsContact C-SG 3.53Å
610	C	91.1	Very high	87.7	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.007	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	154.3	170.1	61.9	0	0	0	0	112.7	V541 T542 Y543 R625	V541-C610 HydrophobicContact CG2-CB 3.98Å; T542-C610 CarbonylContact O-C 3.53Å; T542-C610 WeakPolarHBondContact O-CA 3.31Å; T542-C610 WeakPolarHBondContact O-CB 3.49Å; Y543-C610 HydrophobicContact CD1-CB 3.69Å; Y543-C610 HydrophobicContact CE1-CB 3.83Å; Y543-C610 HydrophobicContact CG-CB 4.32Å; C610-R625 PolarHBondContact N-O 2.8Å; C610-R625 PolarHBondContact O-N 2.77Å; C610-R625 PolarHBondContact SG-NE 2.7Å; C610-R625 VanDerWaalsContact SG-NE 3.45Å; C610-R625 PolarHBondContact SG-NH2 3.44Å
611	S	91.9	Very high	88.7	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.014	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	147.3	173.8	-176.9	0	0	0	0	111.5	V541 T542 T613 V616	V541-S611 VanDerWaalsContact CB-O 3.28Å; V541-S611 WeakPolarHBondContact CB-O 3.34Å; T542-S611 PolarHBondContact N-O 2.78Å; T542-S611 PolarHBondContact O-N 3.41Å; S611-T613 VanDerWaalsContact CB-O 3.3Å; S611-T613 WeakPolarHBondContact CB-O 3.1Å; S611-T613 PolarHBondContact O-N 2.96Å; S611-T613 PolarHBondContact OG-N 2.77Å; S611-T613 VanDerWaalsContact OG-N 3.08Å; S611-T613 PolarHBondContact OG-O 2.84Å; S611-T613 PolarHBondContact OG-OG1 3.28Å; S611-V616 WeakPolarHBondContact OG-CG1 3.37Å
612	A	88.9	Confident	89.4	Confident	73 Å²	73	55.2 Å²	55.2	60%	0.603	30%	0.302	S	S	*	.	S	Bend	trans	-75.3	-4.8	170.1	0	0	0	0	0	113.3	I580	I580-A612 WeakPolarHBondContact CD1-O 3.49Å
613	T	88.3	Confident	89.7	Confident	61 Å²	61	51.1 Å²	51.1	37%	0.374	31%	0.305	S	S	.	.	S	Bend	trans	-129.6	161.7	178.4	68.3	0	0	0	0	110.9	T542 S611 D615	T542-T613 PolarHBondContact OG1-O 2.87Å; S611-T613 VanDerWaalsContact CB-O 3.3Å; S611-T613 WeakPolarHBondContact CB-O 3.1Å; S611-T613 PolarHBondContact O-N 2.96Å; S611-T613 PolarHBondContact OG-N 2.77Å; S611-T613 VanDerWaalsContact OG-N 3.08Å; S611-T613 PolarHBondContact OG-O 2.84Å; S611-T613 PolarHBondContact OG-OG1 3.28Å; T613-D615 WeakPolarHBondContact CB-OD1 3.47Å; T613-D615 PolarHBondContact OG1-OD1 2.92Å
614	D	87.9	Confident	90.1	Very high	60 Å²	60	47.1 Å²	47.1	32%	0.321	29%	0.29	S	S	.	.	S	Bend	trans	-99.7	-11.2	-178.8	-135.5	14.1	0	0	0	113.3	T542 R576 S579 I580 V616	T542-D614 VanDerWaalsContact CG2-OD1 3.24Å; T542-D614 WeakPolarHBondContact CG2-OD1 3.37Å; T542-D614 PolarHBondContact OG1-OD1 3.25Å; R576-D614 IonicContact CZ-OD1 2.9Å; R576-D614 IonicContact NE-OD1 3.95Å; R576-D614 PolarHBondContact NE-OD1 3.38Å; R576-D614 PolarHBondContact NH2-O 3.36Å; R576-D614 IonicContact NH2-OD1 2.98Å; S579-D614 WeakPolarHBondContact CB-OD2 3.47Å; S579-D614 VanDerWaalsContact OG-CG 3.25Å; S579-D614 PolarHBondContact OG-OD1 3.4Å; S579-D614 VanDerWaalsContact OG-OD1 3.11Å; S579-D614 PolarHBondContact OG-OD2 2.72Å; I580-D614 HydrophobicContact CG2-CB 3.84Å; D614-V616 PolarHBondContact O-N 3.46Å
615	D	88.4	Confident	90.4	Very high	133 Å²	133	50.8 Å²	50.8	71%	0.711	30%	0.303	S	S	*	.			trans	-78.6	31.3	179.7	62.5	-19.8	0	0	0	113.8	T613	T613-D615 WeakPolarHBondContact CB-OD1 3.47Å; T613-D615 PolarHBondContact OG1-OD1 2.92Å
616	V	91.8	Very high	90.5	Very high	6 Å²	6	49.6 Å²	49.6	4%	0.036	29%	0.294	C	S	.	.			trans	-100.2	136.9	178.7	-62.1	0	0	0	0	111.8	T542 F574 R576 S611 D614 D621 V624	T542-V616 HydrophobicContact CG2-CG2 4.45Å; F574-V616 HydrophobicContact CD1-CG2 4.07Å; F574-V616 HydrophobicContact CE1-CG2 4.1Å; F574-V616 HydrophobicContact CG-CG2 4.3Å; F574-V616 HydrophobicContact CZ-CG2 4.33Å; R576-V616 PolarHBondContact NH2-O 3.1Å; S611-V616 WeakPolarHBondContact OG-CG1 3.37Å; D614-V616 PolarHBondContact O-N 3.46Å; V616-D621 HydrophobicContact CG1-CB 4.4Å; V616-V624 HydrophobicContact CB-CG2 3.92Å; V616-V624 HydrophobicContact CG1-CG2 3.6Å; V616-V624 HydrophobicContact CG2-CG2 4.47Å
617	T	92.8	Very high	90.2	Very high	75 Å²	75	48.9 Å²	48.9	46%	0.46	29%	0.29	S	S	.	.			trans	-120.7	-31.7	179	-55.5	0	0	0	0	111.7	F574 D621	F574-T617 WeakPolarHBondContact CB-O 3.45Å; F574-T617 PolarHBondContact N-O 2.99Å; T617-D621 PolarHBondContact N-OD2 2.92Å
618	Y	94.3	Very high	89.8	Confident	24 Å²	24	46.7 Å²	46.7	9%	0.094	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-124.9	149.9	-178.3	-51.9	-82.2	0	0	0	112.3	P557 K560 D572 I573 S620 D621	P557-Y618 WeakPolarHBondContact CD-OH 3.48Å; P557-Y618 HydrophobicContact CG-CE2 4.35Å; K560-Y618 HydrophobicContact CG-CD1 4.48Å; K560-Y618 HydrophobicContact CG-CE1 4.34Å; D572-Y618 CarbonylContact O-C 3.55Å; D572-Y618 WeakPolarHBondContact O-CA 3.4Å; D572-Y618 WeakPolarHBondContact O-CB 3.49Å; I573-Y618 HydrophobicContact CG1-CD1 4.22Å; I573-Y618 HydrophobicContact CG1-CE1 4.04Å; Y618-S620 PolarHBondContact O-N 3.07Å; Y618-S620 VanDerWaalsContact O-N 3.17Å; Y618-D621 WeakPolarHBondContact CD2-OD1 3.5Å; Y618-D621 PolarHBondContact N-OD2 2.92Å; Y618-D621 WeakPolarHBondContact O-CB 3.46Å; Y618-D621 PolarHBondContact O-N 2.99Å
619	I	93.9	Very high	89.4	Confident	32 Å²	32	49.1 Å²	49.1	16%	0.164	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-11.3	173.4	63.6	168.3	0	0	0	113.2	D572 F574 Y609	D572-I619 HydrophobicContact CB-CD1 4.28Å; D572-I619 HydrophobicContact CB-CG1 3.65Å; D572-I619 WeakPolarHBondContact O-CG1 3.32Å; D572-I619 PolarHBondContact O-N 2.85Å; F574-I619 HydrophobicContact CB-CG2 4.3Å; F574-I619 HydrophobicContact CD2-CG2 4.07Å; Y609-I619 HydrophobicContact CD1-CB 4.03Å; Y609-I619 HydrophobicContact CD1-CG2 4.16Å; Y609-I619 HydrophobicContact CD2-CB 4.32Å; Y609-I619 HydrophobicContact CD2-CG2 3.62Å; Y609-I619 HydrophobicContact CE1-CB 3.94Å; Y609-I619 HydrophobicContact CE1-CD1 4.2Å; Y609-I619 HydrophobicContact CE1-CG2 4.29Å; Y609-I619 HydrophobicContact CE2-CB 4.22Å; Y609-I619 HydrophobicContact CE2-CD1 4.07Å; Y609-I619 HydrophobicContact CE2-CG2 3.75Å; Y609-I619 HydrophobicContact CG-CB 4.24Å; Y609-I619 HydrophobicContact CG-CG2 3.85Å; Y609-I619 WeakPolarHBondContact OH-CD1 3.42Å
620	S	93.1	Very high	89	Confident	67 Å²	67	47.9 Å²	47.9	47%	0.469	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-1.2	173.1	60.5	0	0	0	0	113.7	K560 Y618	K560-S620 PolarHBondContact NZ-OG 2.81Å; Y618-S620 PolarHBondContact O-N 3.07Å; Y618-S620 VanDerWaalsContact O-N 3.17Å
621	D	93.1	Very high	88.5	Confident	37 Å²	37	50.5 Å²	50.5	20%	0.198	31%	0.305	C	S	.	.	S	Bend	trans	-68.5	144.4	-179.1	-68.4	-16.4	0	0	0	110.8	V616 T617 Y618 G623 V624	V616-D621 HydrophobicContact CG1-CB 4.4Å; T617-D621 PolarHBondContact N-OD2 2.92Å; Y618-D621 WeakPolarHBondContact CD2-OD1 3.5Å; Y618-D621 PolarHBondContact N-OD2 2.92Å; Y618-D621 WeakPolarHBondContact O-CB 3.46Å; Y618-D621 PolarHBondContact O-N 2.99Å; D621-G623 PolarHBondContact O-N 2.9Å; D621-V624 HydrophobicContact CB-CG2 4.02Å; D621-V624 WeakPolarHBondContact O-CB 3.41Å; D621-V624 PolarHBondContact O-N 3.17Å
622	P	91.3	Very high	88	Confident	126 Å²	126	50.5 Å²	50.5	82%	0.818	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	129.7	179.3	-26.7	35.1	0	0	0	112.5	V624	P622-V624 VanDerWaalsContact C-N 3.33Å
623	G	88.1	Confident	87.6	Confident	62 Å²	62	51.6 Å²	51.6	64%	0.639	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	-9.9	-179	0	0	0	0	0	115.2	D621 R625	D621-G623 PolarHBondContact O-N 2.9Å; G623-R625 PolarHBondContact O-N 2.79Å
624	V	91.6	Very high	87.1	Confident	22 Å²	22	49 Å²	49	13%	0.133	28%	0.284	C	S	.	.			trans	-73.7	126.3	166.9	-176	0	0	0	0	109.3	F574 Y609 V616 D621 P622	F574-V624 HydrophobicContact CD2-CG1 3.96Å; F574-V624 HydrophobicContact CE2-CG1 3.91Å; Y609-V624 HydrophobicContact CD1-CG1 4.07Å; Y609-V624 HydrophobicContact CG-CG1 4.31Å; V616-V624 HydrophobicContact CB-CG2 3.92Å; V616-V624 HydrophobicContact CG1-CG2 3.6Å; V616-V624 HydrophobicContact CG2-CG2 4.47Å; D621-V624 HydrophobicContact CB-CG2 4.02Å; D621-V624 WeakPolarHBondContact O-CB 3.41Å; D621-V624 PolarHBondContact O-N 3.17Å; P622-V624 VanDerWaalsContact C-N 3.33Å
625	R	88.9	Confident	86.3	Confident	93 Å²	93	47.7 Å²	47.7	35%	0.351	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	141.2	176.2	65.5	-174	-177.7	88.2	6.3	111	Y609 C610 G623	Y609-R625 CarbonylContact C-O 3.59Å; Y609-R625 VanDerWaalsContact CA-O 3.29Å; Y609-R625 WeakPolarHBondContact CA-O 3.42Å; C610-R625 PolarHBondContact N-O 2.8Å; C610-R625 PolarHBondContact O-N 2.77Å; C610-R625 PolarHBondContact SG-NE 2.7Å; C610-R625 VanDerWaalsContact SG-NE 3.45Å; C610-R625 PolarHBondContact SG-NH2 3.44Å; G623-R625 PolarHBondContact O-N 2.79Å
626	K	87.4	Confident	85.2	Confident	75 Å²	75	47.2 Å²	47.2	33%	0.326	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	136.2	165.8	-170.4	-178.2	172.1	-177.9	0	108.4	N607 Y609 G628 T629 N694	N607-K626 WeakPolarHBondContact OD1-CE 3.48Å; N607-K626 PolarHBondContact OD1-NZ 2.82Å; Y609-K626 HydrophobicContact CD1-CB 3.99Å; Y609-K626 HydrophobicContact CE1-CB 3.8Å; Y609-K626 HydrophobicContact CE1-CG 4.2Å; K626-G628 WeakPolarHBondContact CE-O 3.37Å; K626-T629 WeakPolarHBondContact CE-OG1 3.46Å; K626-T629 PolarHBondContact NZ-OG1 2.9Å; K626-N694 PolarHBondContact O-ND2 2.82Å
627	C	82.4	Confident	83.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	-0.9	-177	63.9	0	0	0	0	114.3	I608 Y609 I689 D690 F691	I608-C627 PolarHBondContact O-N 3.1Å; Y609-C627 VanDerWaalsContact C-SG 3.53Å; C627-I689 WeakPolarHBondContact O-CG2 3.34Å; C627-D690 CarbonylContact C-O 3.58Å; C627-D690 CarbonylContact O-C 3.47Å; C627-F691 HydrophobicContact CB-CD1 3.81Å; C627-F691 HydrophobicContact CB-CE1 3.83Å; C627-F691 VanDerWaalsContact O-CD1 3.28Å; C627-F691 WeakPolarHBondContact O-CD1 3.36Å
628	G	79.1	Confident	81.7	Confident	2 Å²	2	55.2 Å²	55.2	2%	0.021	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.9	179.8	166.5	0	0	0	0	0	113.2	I608 K626	I608-G628 PolarHBondContact N-O 2.66Å; I608-G628 PolarHBondContact O-N 2.99Å; K626-G628 WeakPolarHBondContact CE-O 3.37Å
629	T	82.6	Confident	79.6	Confident	52 Å²	52	59.4 Å²	59.4	32%	0.319	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	137	179.8	-47.1	0	0	0	0	110.6	I605 I606 K626	I605-T629 HydrophobicContact CG2-CG2 3.45Å; I605-T629 VanDerWaalsContact CG2-CG2 3.45Å; I606-T629 CarbonylContact O-C 3.55Å; I606-T629 WeakPolarHBondContact O-CA 3.44Å; K626-T629 WeakPolarHBondContact CE-OG1 3.46Å; K626-T629 PolarHBondContact NZ-OG1 2.9Å
630	I	81.7	Confident	77.2	Confident	3 Å²	3	62.5 Å²	62.5	2%	0.015	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.6	169.9	-48	-171.2	0	0	0	108.6	I605 I606 I608 V674 A676 A687	I605-I630 CarbonylContact C-O 3.59Å; I605-I630 VanDerWaalsContact CA-O 3.32Å; I605-I630 WeakPolarHBondContact CA-O 3.32Å; I606-I630 HydrophobicContact CB-CB 4.27Å; I606-I630 PolarHBondContact N-O 2.9Å; I606-I630 PolarHBondContact O-N 2.79Å; I608-I630 HydrophobicContact CD1-CD1 4.16Å; I608-I630 HydrophobicContact CD1-CG1 4.05Å; I630-V674 HydrophobicContact CD1-CB 3.65Å; I630-V674 HydrophobicContact CD1-CG1 3.25Å; I630-A676 HydrophobicContact CG2-CB 3.92Å; I630-A687 HydrophobicContact CB-CB 4.21Å; I630-A687 HydrophobicContact CD1-CB 4.32Å; I630-A687 HydrophobicContact CG1-CB 3.85Å; I630-A687 HydrophobicContact CG2-CB 3.92Å
631	T	81.9	Confident	74.5	Confident	55 Å²	55	65.8 Å²	65.8	34%	0.337	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.5	175.5	-68.9	0	0	0	0	109.4	K603 I604 V685	K603-T631 HydrophobicContact CD-CG2 4.27Å; K603-T631 HydrophobicContact CG-CG2 4.19Å; I604-T631 WeakPolarHBondContact O-CA 3.41Å; T631-V685 WeakPolarHBondContact O-CG1 3.32Å
632	L	80.7	Confident	72.1	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.01	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	114.1	177.8	174.3	65.9	0	0	0	109.2	I604 L634 I661 A676 D678 V685	I604-L632 HydrophobicContact CB-CB 4.36Å; I604-L632 PolarHBondContact N-O 3.13Å; I604-L632 PolarHBondContact O-N 2.89Å; L632-L634 HydrophobicContact CD2-CD2 4Å; L632-L634 HydrophobicContact CG-CD2 3.98Å; L632-I661 HydrophobicContact CD2-CD1 4.17Å; L632-I661 HydrophobicContact CD2-CG2 3.76Å; L632-A676 HydrophobicContact CD2-CB 4.21Å; L632-D678 HydrophobicContact CD2-CB 4.21Å; L632-V685 HydrophobicContact CD1-CB 4.03Å; L632-V685 HydrophobicContact CD1-CG2 3.52Å
633	D	80.8	Confident	69.8	Low	96 Å²	96	65.4 Å²	65.4	51%	0.513	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	130.1	174	-67.1	-41.6	0	0	0	110.5	K603	K603-D633 WeakPolarHBondContact CD-OD1 3.2Å; K603-D633 WeakPolarHBondContact CG-OD1 3.48Å
634	L	76.3	Confident	67.7	Low	7 Å²	7	69.3 Å²	69.3	4%	0.037	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-103.8	121.1	-171.9	-64.9	-172.9	0	0	0	110.4	P596 Q601 R602 I604 L632 I661 D678	P596-L634 HydrophobicContact CG-CD1 4.14Å; Q601-L634 VanDerWaalsContact O-CD1 3.26Å; Q601-L634 WeakPolarHBondContact O-CD1 3.34Å; R602-L634 PolarHBondContact O-N 3.44Å; I604-L634 HydrophobicContact CD1-CD1 4.27Å; I604-L634 HydrophobicContact CG1-CD1 3.49Å; I604-L634 VanDerWaalsContact CG1-CD1 3.49Å; I604-L634 HydrophobicContact CG1-CD2 4.36Å; I604-L634 HydrophobicContact CG1-CG 4.01Å; L632-L634 HydrophobicContact CD2-CD2 4Å; L632-L634 HydrophobicContact CG-CD2 3.98Å; L634-I661 HydrophobicContact CD1-CD1 4.33Å; L634-I661 HydrophobicContact CD2-CD1 3.62Å; L634-D678 HydrophobicContact CD2-CB 4Å
635	P	71.8	Confident	65.1	Low	33 Å²	33	72 Å²	72	21%	0.214	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-49.4	153.5	166.3	-30.4	34.3	0	0	0	113.1	R659	P635-R659 PolarHBondContact O-NH1 3.49Å; P635-R659 PolarHBondContact O-NH2 2.9Å
636	E	66.2	Low	62.6	Low	123 Å²	123	71.8 Å²	71.8	58%	0.575	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-55.6	148.5	169	-75.3	172.8	-162.8	0	0	110.9	R602 L638	R602-E636 IonicContact CZ-OE1 2.71Å; R602-E636 IonicContact NH1-OE1 3.75Å; R602-E636 PolarHBondContact NH1-OE1 3.47Å; R602-E636 IonicContact NH2-OE1 2.68Å; R602-E636 PolarHBondContact NH2-OE1 2.87Å; E636-L638 PolarHBondContact O-N 2.9Å
637	P	58.9	Low	60.6	Low	80 Å²	80	72.8 Å²	72.8	52%	0.519	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-58.4	126.5	175.4	-19.4	31.7	0	0	0	109.7	V639	P637-V639 VanDerWaalsContact C-N 3.33Å; P637-V639 PolarHBondContact O-N 3.49Å
638	L	50.9	Low	58.7	Low	168 Å²	168	82.3 Å²	82.3	88%	0.88	54%	0.542	S	S	*	.			trans	-64.9	98.5	165.2	-73.5	169.2	0	0	0	107.6	E636 P640	E636-L638 PolarHBondContact O-N 2.9Å; L638-P640 WeakPolarHBondContact O-CD 3.21Å
639	V	50.2	Low	56.6	Low	112 Å²	112	85.7 Å²	85.7	68%	0.679	58%	0.577	S	S	*	*			trans	-63.3	124.7	167.8	-177.4	0	0	0	0	106.7	P637	P637-V639 VanDerWaalsContact C-N 3.33Å; P637-V639 PolarHBondContact O-N 3.49Å
640	P	45.2	Very low	54.6	Low	97 Å²	97	88 Å²	88	63%	0.63	61%	0.611	S	S	*	*			trans	-57.8	128	175.9	-24	34	0	0	0	109.8	L638 G642	L638-P640 WeakPolarHBondContact O-CD 3.21Å; P640-G642 PolarHBondContact O-N 2.58Å
641	P	35.8	Very low	52.4	Low	137 Å²	137	91.7 Å²	91.7	89%	0.89	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	101.3	177.5	27.1	-32.9	0	0	0	109
642	G	43.3	Very low	50.2	Low	70 Å²	70	96.2 Å²	96.2	72%	0.722	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	155.1	-15.7	179.5	0	0	0	0	0	116.3	P640 V644	P640-G642 PolarHBondContact O-N 2.58Å; G642-V644 PolarHBondContact O-N 2.7Å
643	A	42.4	Very low	48.1	Very low	84 Å²	84	102.3 Å²	102.3	69%	0.694	71%	0.706	S	S	*	*			trans	-78.8	43.9	-176.2	0	0	0	0	0	115
644	V	42.7	Very low	46	Very low	145 Å²	145	101.9 Å²	101.9	88%	0.879	72%	0.716	S	S	*	*	S	Bend	trans	-139.5	95.9	168.8	-172.9	0	0	0	0	110.2	G642	G642-V644 PolarHBondContact O-N 2.7Å
645	G	38.7	Very low	44.5	Very low	79 Å²	79	104 Å²	104	81%	0.814	74%	0.739	S	S	*	*	S	Bend	trans	114.4	130.9	162.8	0	0	0	0	0	116.2
646	G	35.6	Very low	43.7	Very low	88 Å²	88	108.6 Å²	108.6	91%	0.907	77%	0.769	S	S	*	*			trans	111.3	123.3	169.4	0	0	0	0	0	113.9
647	A	45.9	Very low	43.3	Very low	95 Å²	95	111 Å²	111	79%	0.785	78%	0.78	S	S	*	*			trans	-100.1	172.7	178.8	0	0	0	0	0	112.2
648	E	42	Very low	43.8	Very low	201 Å²	201	114.7 Å²	114.7	94%	0.939	78%	0.784	S	S	*	*			trans	74	113.2	168.3	-54.5	-168	168.8	0	0	117.5
649	G	35.7	Very low	45.2	Very low	73 Å²	73	108.1 Å²	108.1	75%	0.753	75%	0.747	S	S	*	*			trans	156.1	104.6	175.3	0	0	0	0	0	111.1	A651	G649-A651 PolarHBondContact O-N 3.17Å
650	G	40.6	Very low	47	Very low	100 Å²	100	105.2 Å²	105.2	100%	1.031	73%	0.726	S	S	*	*			trans	-71	84.2	-178.4	0	0	0	0	0	112.9
651	A	33.9	Very low	48.9	Very low	81 Å²	81	100.6 Å²	100.6	67%	0.669	70%	0.697	S	S	*	*			trans	-115.5	139.5	166.4	0	0	0	0	0	109.6	G649 V653	G649-A651 PolarHBondContact O-N 3.17Å; A651-V653 PolarHBondContact O-N 2.95Å
652	V	36.5	Very low	51.5	Low	149 Å²	149	98.3 Å²	98.3	90%	0.903	67%	0.67	S	S	*	*			trans	-66.3	100	173.1	179.7	0	0	0	0	107.7	A654	V652-A654 PolarHBondContact O-N 3.39Å
653	V	35.8	Very low	53.7	Low	131 Å²	131	95.1 Å²	95.1	79%	0.794	64%	0.637	S	S	*	*			trans	-64.3	103.1	173.7	-179.9	0	0	0	0	107.2	A651 G655	A651-V653 PolarHBondContact O-N 2.95Å; V653-G655 PolarHBondContact O-N 2.62Å
654	A	38.2	Very low	55.9	Low	87 Å²	87	91.9 Å²	91.9	72%	0.719	61%	0.608	S	S	*	*			trans	-55.2	114.4	165.9	0	0	0	0	0	107	V652	V652-A654 PolarHBondContact O-N 3.39Å
655	G	44.6	Very low	58.1	Low	51 Å²	51	85.1 Å²	85.1	53%	0.526	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-56.5	152.4	177.8	0	0	0	0	0	110.2	V653 E657	V653-G655 PolarHBondContact O-N 2.62Å; G655-E657 PolarHBondContact O-N 3.48Å; G655-E657 VanDerWaalsContact O-N 3.07Å
656	P	54.4	Low	60.5	Low	130 Å²	130	84.2 Å²	84.2	84%	0.844	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-51.9	121.6	-174.5	22	-33.8	0	0	0	110	R658	P656-R658 PolarHBondContact O-N 3.44Å
657	E	57.5	Low	62.9	Low	174 Å²	174	80.3 Å²	80.3	81%	0.813	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-53.5	128.1	-177.7	-72.9	-164.9	141.7	0	0	109.3	G655 R659	G655-E657 PolarHBondContact O-N 3.48Å; G655-E657 VanDerWaalsContact O-N 3.07Å; E657-R659 PolarHBondContact O-N 3.06Å
658	R	69.3	Low	64.4	Low	157 Å²	157	76 Å²	76	59%	0.592	47%	0.465	S	S	*	.			trans	-68.7	110.9	179.6	-72.6	-165	-175.3	-165.5	10.3	108.5	T595 P656 E660	T595-R658 HydrophobicContact CG2-CB 4.01Å; P656-R658 PolarHBondContact O-N 3.44Å; R658-E660 PolarHBondContact O-N 3.36Å
659	R	80.9	Confident	66.3	Low	30 Å²	30	68.5 Å²	68.5	11%	0.113	43%	0.432	C	S	.	.			trans	-39.6	112.8	172.2	-174.7	173.3	-154.8	156.1	7.1	111.7	P596 P635 E657 I661 D678 M680	P596-R659 WeakPolarHBondContact CD-O 3.45Å; P596-R659 HydrophobicContact CG-CB 4.34Å; P596-R659 HydrophobicContact CG-CG 4.43Å; P635-R659 PolarHBondContact O-NH1 3.49Å; P635-R659 PolarHBondContact O-NH2 2.9Å; E657-R659 PolarHBondContact O-N 3.06Å; R659-I661 HydrophobicContact CG-CD1 4.21Å; R659-D678 VanDerWaalsContact CG-OD1 3.3Å; R659-D678 WeakPolarHBondContact CG-OD1 3.23Å; R659-D678 IonicContact CZ-OD1 3.22Å; R659-D678 IonicContact CZ-OD2 3.51Å; R659-D678 VanDerWaalsContact NE-CG 3.33Å; R659-D678 IonicContact NE-OD1 2.93Å; R659-D678 PolarHBondContact NE-OD1 3.4Å; R659-D678 IonicContact NE-OD2 3.47Å; R659-D678 PolarHBondContact NE-OD2 2.81Å; R659-D678 IonicContact NH2-OD1 3.81Å; R659-D678 IonicContact NH2-OD2 3.02Å; R659-D678 PolarHBondContact NH2-OD2 3.19Å; R659-M680 HydrophobicContact CB-CE 3.87Å; R659-M680 HydrophobicContact CB-SD 4.07Å; R659-M680 HydrophobicContact CG-CE 3.78Å; R659-M680 HydrophobicContact CG-CG 4.39Å; R659-M680 HydrophobicContact CG-SD 4.27Å
660	E	87.1	Confident	68.4	Low	50 Å²	50	65.9 Å²	65.9	23%	0.234	40%	0.401	C	S	.	.			trans	-88	125.1	178.6	-169.8	-158.3	153.6	0	0	109.9	S593 R658 R662 V679	S593-E660 WeakPolarHBondContact CB-OE1 3.38Å; S593-E660 PolarHBondContact OG-OE1 3.21Å; R658-E660 PolarHBondContact O-N 3.36Å; E660-R662 VanDerWaalsContact CD-NH2 3.31Å; E660-R662 IonicContact OE1-CZ 2.72Å; E660-R662 IonicContact OE1-NE 3.12Å; E660-R662 PolarHBondContact OE1-NE 3.22Å; E660-R662 IonicContact OE1-NH2 3.33Å; E660-R662 PolarHBondContact OE1-NH2 2.95Å; E660-R662 IonicContact OE2-CZ 2.68Å; E660-R662 IonicContact OE2-NH2 2.92Å; E660-R662 PolarHBondContact OE2-NH2 2.98Å; E660-V679 HydrophobicContact CB-CB 4.1Å; E660-V679 HydrophobicContact CB-CG2 4.02Å; E660-V679 HydrophobicContact CG-CG2 4.06Å; E660-V679 WeakPolarHBondContact O-CG2 3.42Å; E660-V679 PolarHBondContact O-N 2.81Å
661	I	86.9	Confident	70.3	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.005	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	111.8	168	-50.8	-56.1	0	0	0	107.9	Y594 P596 I604 L632 L634 R659 I677 D678	Y594-I661 PolarHBondContact N-O 2.84Å; Y594-I661 PolarHBondContact O-N 3.48Å; P596-I661 HydrophobicContact CG-CG1 4.38Å; I604-I661 HydrophobicContact CD1-CG1 4.42Å; I604-I661 HydrophobicContact CG1-CG1 4.19Å; I604-I661 HydrophobicContact CG2-CG2 4.4Å; L632-I661 HydrophobicContact CD2-CD1 4.17Å; L632-I661 HydrophobicContact CD2-CG2 3.76Å; L634-I661 HydrophobicContact CD1-CD1 4.33Å; L634-I661 HydrophobicContact CD2-CD1 3.62Å; R659-I661 HydrophobicContact CG-CD1 4.21Å; I661-I677 CarbonylContact C-O 3.49Å; I661-I677 WeakPolarHBondContact CA-O 3.48Å; I661-D678 HydrophobicContact CD1-CB 4.03Å
662	R	89.1	Confident	72.7	Confident	89 Å²	89	60.4 Å²	60.4	34%	0.336	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	106.5	-178.5	-167.8	172.1	-61.7	151.7	4.8	110.2	R592 E660 A676 I677 V679	R592-R662 CarbonylContact O-C 3.05Å; E660-R662 VanDerWaalsContact CD-NH2 3.31Å; E660-R662 IonicContact OE1-CZ 2.72Å; E660-R662 IonicContact OE1-NE 3.12Å; E660-R662 PolarHBondContact OE1-NE 3.22Å; E660-R662 IonicContact OE1-NH2 3.33Å; E660-R662 PolarHBondContact OE1-NH2 2.95Å; E660-R662 IonicContact OE2-CZ 2.68Å; E660-R662 IonicContact OE2-NH2 2.92Å; E660-R662 PolarHBondContact OE2-NH2 2.98Å; R662-A676 WeakPolarHBondContact O-CA 3.31Å; R662-I677 PolarHBondContact N-O 2.89Å; R662-I677 PolarHBondContact O-N 3.18Å; R662-V679 HydrophobicContact CB-CG2 3.9Å
663	A	89	Confident	74.9	Confident	2 Å²	2	58.5 Å²	58.5	2%	0.017	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	136.6	172.5	0	0	0	0	0	110	F577 R591 R592 Y594 I606	F577-A663 HydrophobicContact CZ-CB 4.14Å; R591-A663 WeakPolarHBondContact CA-O 3.23Å; R592-A663 PolarHBondContact N-O 3.01Å; R592-A663 PolarHBondContact O-N 3.44Å; R592-A663 VanDerWaalsContact O-O 3.09Å; Y594-A663 HydrophobicContact CD2-CB 3.92Å; Y594-A663 HydrophobicContact CE2-CB 3.61Å; I606-A663 HydrophobicContact CD1-CB 4Å
664	T	89.1	Confident	77.3	Confident	17 Å²	17	52.5 Å²	52.5	10%	0.104	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	116.1	-172.9	-60.1	0	0	0	0	109.9	V589 V590 R591 V674 T675	V589-T664 HydrophobicContact CG1-CG2 3.17Å; V590-T664 WeakPolarHBondContact O-CA 3.32Å; R591-T664 HydrophobicContact CG-CG2 4.03Å; T664-V674 WeakPolarHBondContact O-CA 3.26Å; T664-V674 WeakPolarHBondContact O-CG1 3.48Å; T664-T675 WeakPolarHBondContact CB-OG1 3.39Å; T664-T675 PolarHBondContact N-O 3.45Å; T664-T675 PolarHBondContact O-N 2.79Å
665	M	89.7	Confident	79.6	Confident	3 Å²	3	50.2 Å²	50.2	2%	0.015	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131.4	171.6	-65.1	-179.1	-174.7	0	0	109.6	V545 F577 V589 V590 I608 F667 V674	V545-M665 HydrophobicContact CG1-CE 3.54Å; F577-M665 HydrophobicContact CB-SD 3.75Å; F577-M665 HydrophobicContact CD1-CB 3.82Å; F577-M665 HydrophobicContact CD1-CE 4.26Å; F577-M665 HydrophobicContact CD1-CG 3.62Å; F577-M665 HydrophobicContact CD1-SD 3.57Å; F577-M665 VanDerWaalsContact CD1-SD 3.57Å; F577-M665 HydrophobicContact CD2-CE 4.04Å; F577-M665 HydrophobicContact CD2-SD 4.07Å; F577-M665 HydrophobicContact CE1-CB 4.27Å; F577-M665 HydrophobicContact CE1-CE 4.35Å; F577-M665 HydrophobicContact CE1-CG 3.83Å; F577-M665 HydrophobicContact CE1-SD 4.14Å; F577-M665 HydrophobicContact CE2-CE 4.12Å; F577-M665 HydrophobicContact CG-CE 4.11Å; F577-M665 HydrophobicContact CG-CG 4.23Å; F577-M665 HydrophobicContact CG-SD 3.53Å; F577-M665 VanDerWaalsContact CG-SD 3.53Å; F577-M665 HydrophobicContact CZ-CE 4.27Å; V589-M665 WeakPolarHBondContact CA-O 3.43Å; V590-M665 PolarHBondContact N-O 3.25Å; V590-M665 PolarHBondContact O-N 3.14Å; I608-M665 HydrophobicContact CD1-CE 4.33Å; I608-M665 HydrophobicContact CG1-CE 4.11Å; I608-M665 HydrophobicContact CG2-CE 3.87Å; M665-F667 HydrophobicContact CB-CD2 4.34Å; M665-F667 HydrophobicContact CB-CE2 3.5Å; M665-F667 HydrophobicContact CB-CZ 3.63Å; M665-F667 HydrophobicContact CG-CZ 4.34Å; M665-F667 HydrophobicContact SD-CZ 3.87Å; M665-V674 HydrophobicContact CB-CG1 4.43Å; M665-V674 HydrophobicContact CE-CG1 4.38Å; M665-V674 HydrophobicContact CG-CB 4.36Å; M665-V674 HydrophobicContact CG-CG1 3.54Å; M665-V674 HydrophobicContact CG-CG2 3.9Å
666	Q	88.1	Confident	81.6	Confident	60 Å²	60	47.8 Å²	47.8	28%	0.28	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.6	172.5	176.7	178.9	-37.9	0	0	109.7	E588 V589 D669 K673	E588-Q666 CarbonylContact O-C 3.56Å; E588-Q666 WeakPolarHBondContact O-CA 3.03Å; V589-Q666 HydrophobicContact CG2-CB 4.24Å; V589-Q666 HydrophobicContact CG2-CG 4.22Å; Q666-D669 PolarHBondContact NE2-OD2 3.4Å; Q666-K673 HydrophobicContact CB-CB 4.29Å; Q666-K673 PolarHBondContact N-O 3.43Å; Q666-K673 PolarHBondContact O-N 3.34Å
667	F	86.4	Confident	83.1	Confident	5 Å²	5	43.7 Å²	43.7	2%	0.022	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-179.9	-177.7	-61.4	-80.3	0	0	0	111.4	Y543 F577 V578 V584 G587 E588 V590 M665 D669 I672	Y543-F667 HydrophobicContact CD2-CE1 4.24Å; F577-F667 HydrophobicContact CB-CE2 4.35Å; F577-F667 HydrophobicContact CB-CZ 4.2Å; V578-F667 HydrophobicContact CB-CE1 4.23Å; V578-F667 HydrophobicContact CB-CE2 4.17Å; V578-F667 HydrophobicContact CB-CZ 3.95Å; V578-F667 HydrophobicContact CG1-CD1 4.17Å; V578-F667 HydrophobicContact CG1-CE1 3.48Å; V578-F667 VanDerWaalsContact CG1-CE1 3.48Å; V578-F667 HydrophobicContact CG1-CE2 4.24Å; V578-F667 HydrophobicContact CG1-CZ 3.52Å; V584-F667 HydrophobicContact CB-CB 3.98Å; V584-F667 HydrophobicContact CG1-CB 4.02Å; V584-F667 HydrophobicContact CG1-CG 4.48Å; V584-F667 HydrophobicContact CG2-CB 4.21Å; G587-F667 PolarHBondContact N-O 3.4Å; E588-F667 PolarHBondContact N-O 2.74Å; E588-F667 PolarHBondContact O-N 3.15Å; V590-F667 HydrophobicContact CB-CE2 4.11Å; V590-F667 HydrophobicContact CG2-CD2 4.05Å; V590-F667 HydrophobicContact CG2-CE2 3.89Å; M665-F667 HydrophobicContact CB-CD2 4.34Å; M665-F667 HydrophobicContact CB-CE2 3.5Å; M665-F667 HydrophobicContact CB-CZ 3.63Å; M665-F667 HydrophobicContact CG-CZ 4.34Å; M665-F667 HydrophobicContact SD-CZ 3.87Å; F667-D669 PolarHBondContact O-N 3.43Å; F667-I672 HydrophobicContact CD1-CD1 4.23Å; F667-I672 HydrophobicContact CD1-CG1 4.04Å; F667-I672 HydrophobicContact CD1-CG2 4.16Å; F667-I672 HydrophobicContact CE1-CD1 3.96Å; F667-I672 HydrophobicContact CE1-CG1 4.17Å; F667-I672 HydrophobicContact CE1-CG2 3.91Å
668	G	78.1	Confident	84.4	Confident	6 Å²	6	35.4 Å²	35.4	6%	0.062	16%	0.162	C	C	.	.	S	Bend	trans	80.8	-16.6	177.6	0	0	0	0	0	115.1	R537 A585 L586	R537-G668 PolarHBondContact NH1-O 2.81Å; A585-G668 WeakPolarHBondContact O-CA 3.48Å; L586-G668 WeakPolarHBondContact CD1-O 3.43Å
669	D	81.6	Confident	85.1	Confident	43 Å²	43	30.4 Å²	30.4	23%	0.23	15%	0.149	C	C	.	.	S	Bend	trans	-72.7	164.4	160	-74.2	-42.6	0	0	0	110.6	L586 Q666 F667 E671 K673	L586-D669 WeakPolarHBondContact CD1-OD1 3.26Å; Q666-D669 PolarHBondContact NE2-OD2 3.4Å; F667-D669 PolarHBondContact O-N 3.43Å; D669-E671 WeakPolarHBondContact CB-O 3.38Å; D669-E671 PolarHBondContact O-N 3.12Å; D669-K673 IonicContact OD1-NZ 3.83Å; D669-K673 WeakPolarHBondContact OD2-CE 3.37Å; D669-K673 IonicContact OD2-NZ 2.77Å; D669-K673 PolarHBondContact OD2-NZ 2.76Å
670	T	78.8	Confident	85	Confident	17 Å²	17	33.8 Å²	33.8	10%	0.104	17%	0.167	C	C	.	.	S	Bend	trans	-62.1	-26.6	174.1	-45.3	0	0	0	0	112.8	K216 I239 L241	K216-T670 HydrophobicContact CD-CG2 4.37Å; I239-T670 HydrophobicContact CB-CG2 4.13Å; I239-T670 HydrophobicContact CG2-CG2 3.96Å; I239-T670 VanDerWaalsContact O-CB 3.28Å; I239-T670 WeakPolarHBondContact O-CB 3.38Å; I239-T670 WeakPolarHBondContact O-CG2 3.15Å; I239-T670 PolarHBondContact O-OG1 3.11Å; L241-T670 HydrophobicContact CD2-CG2 3.64Å; L241-T670 HydrophobicContact CG-CG2 4.09Å
671	E	82.2	Confident	84.6	Confident	44 Å²	44	33.6 Å²	33.6	21%	0.206	17%	0.171	C	C	.	.	S	Bend	trans	-125.8	143.5	179.9	-68.7	165.7	105.1	0	0	110.1	R220 D669	R220-E671 IonicContact CZ-OE1 3.72Å; R220-E671 IonicContact CZ-OE2 3.42Å; R220-E671 IonicContact NE-OE1 2.75Å; R220-E671 PolarHBondContact NE-OE1 3.18Å; R220-E671 IonicContact NE-OE2 3.22Å; R220-E671 PolarHBondContact NE-OE2 2.79Å; R220-E671 IonicContact NH2-OE1 3.94Å; R220-E671 IonicContact NH2-OE2 3.73Å; R220-E671 PolarHBondContact NH2-OE2 3.4Å; D669-E671 WeakPolarHBondContact CB-O 3.38Å; D669-E671 PolarHBondContact O-N 3.12Å
672	I	82.8	Confident	84.1	Confident	23 Å²	23	39.7 Å²	39.7	12%	0.118	20%	0.204	C	C	.	.			trans	-87.3	124.3	-176.1	-58	164.5	0	0	0	108.9	Y543 F667 V674 I689	Y543-I672 HydrophobicContact CD1-CD1 4.19Å; Y543-I672 HydrophobicContact CD2-CD1 3.93Å; Y543-I672 HydrophobicContact CE1-CD1 3.71Å; Y543-I672 HydrophobicContact CE2-CD1 3.4Å; Y543-I672 VanDerWaalsContact CE2-CD1 3.4Å; Y543-I672 HydrophobicContact CG-CD1 4.29Å; F667-I672 HydrophobicContact CD1-CD1 4.23Å; F667-I672 HydrophobicContact CD1-CG1 4.04Å; F667-I672 HydrophobicContact CD1-CG2 4.16Å; F667-I672 HydrophobicContact CE1-CD1 3.96Å; F667-I672 HydrophobicContact CE1-CG1 4.17Å; F667-I672 HydrophobicContact CE1-CG2 3.91Å; I672-V674 HydrophobicContact CG2-CG2 4.01Å; I672-I689 HydrophobicContact CB-CD1 3.83Å; I672-I689 HydrophobicContact CG2-CD1 3.75Å
673	K	84.3	Confident	83.4	Confident	109 Å²	109	42.7 Å²	42.7	47%	0.474	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	133	176.5	-65.2	161.2	-175.7	155.7	0	109	Q666 D669	Q666-K673 HydrophobicContact CB-CB 4.29Å; Q666-K673 PolarHBondContact N-O 3.43Å; Q666-K673 PolarHBondContact O-N 3.34Å; D669-K673 IonicContact OD1-NZ 3.83Å; D669-K673 WeakPolarHBondContact OD2-CE 3.37Å; D669-K673 IonicContact OD2-NZ 2.77Å; D669-K673 PolarHBondContact OD2-NZ 2.76Å
674	V	85.1	Confident	82.8	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.024	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	140	179.3	-156.4	0	0	0	0	111.9	I608 I630 T664 M665 I672 A687 I689	I608-V674 HydrophobicContact CD1-CB 4.47Å; I608-V674 HydrophobicContact CD1-CG1 4.49Å; I608-V674 HydrophobicContact CD1-CG2 4.08Å; I630-V674 HydrophobicContact CD1-CB 3.65Å; I630-V674 HydrophobicContact CD1-CG1 3.25Å; T664-V674 WeakPolarHBondContact O-CA 3.26Å; T664-V674 WeakPolarHBondContact O-CG1 3.48Å; M665-V674 HydrophobicContact CB-CG1 4.43Å; M665-V674 HydrophobicContact CE-CG1 4.38Å; M665-V674 HydrophobicContact CG-CB 4.36Å; M665-V674 HydrophobicContact CG-CG1 3.54Å; M665-V674 HydrophobicContact CG-CG2 3.9Å; I672-V674 HydrophobicContact CG2-CG2 4.01Å; V674-A687 PolarHBondContact O-N 2.64Å; V674-A687 VanDerWaalsContact O-O 3.1Å; V674-I689 HydrophobicContact CG2-CD1 3.55Å; V674-I689 HydrophobicContact CG2-CG1 3.55Å
675	T	86.7	Confident	81.7	Confident	39 Å²	39	47.7 Å²	47.7	24%	0.239	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	146.1	-179	61.5	0	0	0	0	110.2	T664 V685 R686	T664-T675 WeakPolarHBondContact CB-OG1 3.39Å; T664-T675 PolarHBondContact N-O 3.45Å; T664-T675 PolarHBondContact O-N 2.79Å; T675-V685 WeakPolarHBondContact CA-O 3.38Å; T675-R686 HydrophobicContact CG2-CB 4.15Å; T675-R686 HydrophobicContact CG2-CG 3.88Å
676	A	85.8	Confident	80.6	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.1	170.9	0	0	0	0	0	108.9	I606 I630 L632 R662 S684 V685	I606-A676 HydrophobicContact CD1-CB 4.29Å; I630-A676 HydrophobicContact CG2-CB 3.92Å; L632-A676 HydrophobicContact CD2-CB 4.21Å; R662-A676 WeakPolarHBondContact O-CA 3.31Å; A676-S684 WeakPolarHBondContact O-CA 3.45Å; A676-V685 PolarHBondContact N-O 3.17Å; A676-V685 PolarHBondContact O-N 3.35Å
677	I	86.7	Confident	79.3	Confident	45 Å²	45	55.3 Å²	55.3	23%	0.231	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	126.2	-178.2	-47.5	-175.2	0	0	0	109.2	I661 R662 V679 R683	I661-I677 CarbonylContact C-O 3.49Å; I661-I677 WeakPolarHBondContact CA-O 3.48Å; R662-I677 PolarHBondContact N-O 2.89Å; R662-I677 PolarHBondContact O-N 3.18Å; I677-V679 PolarHBondContact O-N 3.39Å; I677-R683 WeakPolarHBondContact CA-O 3.43Å
678	D	85.6	Confident	78	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	106.3	164.8	172.8	40.9	0	0	0	108.5	L632 L634 R659 I661 M680 S681 N682 R683	L632-D678 HydrophobicContact CD2-CB 4.21Å; L634-D678 HydrophobicContact CD2-CB 4Å; R659-D678 VanDerWaalsContact CG-OD1 3.3Å; R659-D678 WeakPolarHBondContact CG-OD1 3.23Å; R659-D678 IonicContact CZ-OD1 3.22Å; R659-D678 IonicContact CZ-OD2 3.51Å; R659-D678 VanDerWaalsContact NE-CG 3.33Å; R659-D678 IonicContact NE-OD1 2.93Å; R659-D678 PolarHBondContact NE-OD1 3.4Å; R659-D678 IonicContact NE-OD2 3.47Å; R659-D678 PolarHBondContact NE-OD2 2.81Å; R659-D678 IonicContact NH2-OD1 3.81Å; R659-D678 IonicContact NH2-OD2 3.02Å; R659-D678 PolarHBondContact NH2-OD2 3.19Å; I661-D678 HydrophobicContact CD1-CB 4.03Å; D678-M680 PolarHBondContact O-N 3.32Å; D678-S681 PolarHBondContact O-N 3.29Å; D678-S681 VanDerWaalsContact OD2-CB 3.26Å; D678-S681 WeakPolarHBondContact OD2-CB 3.47Å; D678-S681 PolarHBondContact OD2-N 3.34Å; D678-S681 PolarHBondContact OD2-OG 3.11Å; D678-N682 WeakPolarHBondContact O-CA 3.44Å; D678-N682 PolarHBondContact O-N 3.45Å; D678-R683 PolarHBondContact N-O 3.15Å
679	V	83.3	Confident	77.6	Confident	51 Å²	51	59.9 Å²	59.9	31%	0.309	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-30.1	-168.9	178.5	0	0	0	0	111.9	E660 R662 I677	E660-V679 HydrophobicContact CB-CB 4.1Å; E660-V679 HydrophobicContact CB-CG2 4.02Å; E660-V679 HydrophobicContact CG-CG2 4.06Å; E660-V679 WeakPolarHBondContact O-CG2 3.42Å; E660-V679 PolarHBondContact O-N 2.81Å; R662-V679 HydrophobicContact CB-CG2 3.9Å; I677-V679 PolarHBondContact O-N 3.39Å
680	M	78.8	Confident	77	Confident	102 Å²	102	60.3 Å²	60.3	50%	0.502	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-38.4	-179.3	-56.9	-163.2	-38.7	0	0	113.5	R659 D678	R659-M680 HydrophobicContact CB-CE 3.87Å; R659-M680 HydrophobicContact CB-SD 4.07Å; R659-M680 HydrophobicContact CG-CE 3.78Å; R659-M680 HydrophobicContact CG-CG 4.39Å; R659-M680 HydrophobicContact CG-SD 4.27Å; D678-M680 PolarHBondContact O-N 3.32Å
681	S	77.9	Confident	76.7	Confident	46 Å²	46	60.2 Å²	60.2	32%	0.322	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-4.9	179.2	69.4	0	0	0	0	113.8	D678 R683	D678-S681 PolarHBondContact O-N 3.29Å; D678-S681 VanDerWaalsContact OD2-CB 3.26Å; D678-S681 WeakPolarHBondContact OD2-CB 3.47Å; D678-S681 PolarHBondContact OD2-N 3.34Å; D678-S681 PolarHBondContact OD2-OG 3.11Å; S681-R683 PolarHBondContact O-N 3.41Å; S681-R683 WeakPolarHBondContact OG-CB 3.48Å; S681-R683 WeakPolarHBondContact OG-CG 3.14Å; S681-R683 PolarHBondContact OG-N 3.16Å
682	N	77.3	Confident	76.3	Confident	129 Å²	129	58.3 Å²	58.3	69%	0.69	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	17	-168.7	-160.2	38.2	0	0	0	114	D678 S684	D678-N682 WeakPolarHBondContact O-CA 3.44Å; D678-N682 PolarHBondContact O-N 3.45Å; N682-S684 PolarHBondContact O-N 3.31Å
683	R	75.1	Confident	75.1	Confident	151 Å²	151	61.5 Å²	61.5	57%	0.57	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	118.5	173.1	-72.4	-174.2	177.4	-160.4	-1.7	108.7	I677 D678 S681	I677-R683 WeakPolarHBondContact CA-O 3.43Å; D678-R683 PolarHBondContact N-O 3.15Å; S681-R683 PolarHBondContact O-N 3.41Å; S681-R683 WeakPolarHBondContact OG-CB 3.48Å; S681-R683 WeakPolarHBondContact OG-CG 3.14Å; S681-R683 PolarHBondContact OG-N 3.16Å
684	S	76	Confident	73.4	Confident	74 Å²	74	63 Å²	63	52%	0.517	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139.9	171.3	63.8	0	0	0	0	110.1	A676 N682	A676-S684 WeakPolarHBondContact O-CA 3.45Å; N682-S684 PolarHBondContact O-N 3.31Å
685	V	66.2	Low	72.8	Confident	51 Å²	51	66 Å²	66	31%	0.309	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.6	162.7	172.5	0	0	0	0	107.1	T631 L632 T675 A676	T631-V685 WeakPolarHBondContact O-CG1 3.32Å; L632-V685 HydrophobicContact CD1-CB 4.03Å; L632-V685 HydrophobicContact CD1-CG2 3.52Å; T675-V685 WeakPolarHBondContact CA-O 3.38Å; A676-V685 PolarHBondContact N-O 3.17Å; A676-V685 PolarHBondContact O-N 3.35Å
686	R	65.5	Low	72.1	Confident	200 Å²	200	67.4 Å²	67.4	76%	0.755	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	143.1	162.6	-46.9	-169.7	-158.7	158.5	8.4	107.7	T675	T675-R686 HydrophobicContact CG2-CB 4.15Å; T675-R686 HydrophobicContact CG2-CG 3.88Å
687	A	60.6	Low	71.4	Confident	23 Å²	23	71.2 Å²	71.2	19%	0.19	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.2	169.1	0	0	0	0	0	108.8	I630 V674	I630-A687 HydrophobicContact CB-CB 4.21Å; I630-A687 HydrophobicContact CD1-CB 4.32Å; I630-A687 HydrophobicContact CG1-CB 3.85Å; I630-A687 HydrophobicContact CG2-CB 3.92Å; V674-A687 PolarHBondContact O-N 2.64Å; V674-A687 VanDerWaalsContact O-O 3.1Å
688	S	60	Low	70.5	Confident	97 Å²	97	72.7 Å²	72.7	68%	0.678	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.2	143.2	154.2	40	0	0	0	0	108.5	D690	S688-D690 PolarHBondContact O-N 3.46Å
689	I	69.3	Low	69.5	Low	9 Å²	9	77.3 Å²	77.3	5%	0.046	42%	0.415	C	S	.	.			trans	-75.8	111.8	165.7	-56	-172.2	0	0	0	106.1	Q217 I608 C627 I672 V674 F691	Q217-I689 PolarHBondContact OE1-O 3.17Å; I608-I689 HydrophobicContact CD1-CD1 4.04Å; I608-I689 HydrophobicContact CD1-CG1 3.83Å; I608-I689 HydrophobicContact CD1-CG2 4.47Å; C627-I689 WeakPolarHBondContact O-CG2 3.34Å; I672-I689 HydrophobicContact CB-CD1 3.83Å; I672-I689 HydrophobicContact CG2-CD1 3.75Å; V674-I689 HydrophobicContact CG2-CD1 3.55Å; V674-I689 HydrophobicContact CG2-CG1 3.55Å; I689-F691 HydrophobicContact CB-CD2 4.23Å; I689-F691 HydrophobicContact CB-CE2 3.59Å; I689-F691 HydrophobicContact CB-CZ 3.78Å; I689-F691 HydrophobicContact CD1-CZ 4.18Å; I689-F691 HydrophobicContact CG2-CD1 4.03Å; I689-F691 HydrophobicContact CG2-CD2 3.96Å; I689-F691 HydrophobicContact CG2-CE1 3.58Å; I689-F691 HydrophobicContact CG2-CE2 3.49Å; I689-F691 VanDerWaalsContact CG2-CE2 3.49Å; I689-F691 HydrophobicContact CG2-CG 4.21Å; I689-F691 HydrophobicContact CG2-CZ 3.29Å; I689-F691 WeakPolarHBondContact O-CD2 3.27Å; I689-F691 PolarHBondContact O-N 3.47Å
690	D	69.9	Low	68.6	Low	52 Å²	52	79 Å²	79	28%	0.278	42%	0.422	S	S	.	.			trans	-86.5	107.8	175	-174.1	9.7	0	0	0	111.1	Q217 C627 S688 L692 S693	Q217-D690 PolarHBondContact NE2-OD1 2.84Å; C627-D690 CarbonylContact C-O 3.58Å; C627-D690 CarbonylContact O-C 3.47Å; S688-D690 PolarHBondContact O-N 3.46Å; D690-L692 PolarHBondContact OD1-N 3.01Å; D690-S693 PolarHBondContact OD1-N 2.78Å; D690-S693 WeakPolarHBondContact OD2-CB 3.4Å; D690-S693 PolarHBondContact OD2-OG 2.79Å
691	F	72.1	Confident	67.9	Low	15 Å²	15	77.4 Å²	77.4	7%	0.066	42%	0.417	C	S	.	.			trans	-96.3	-2.3	178.6	-59.9	-82.2	0	0	0	113.4	Q213 P214 Y543 C627 I689	Q213-F691 HydrophobicContact CB-CD1 3.76Å; Q213-F691 HydrophobicContact CB-CD2 3.71Å; Q213-F691 HydrophobicContact CB-CE1 3.55Å; Q213-F691 HydrophobicContact CB-CE2 3.49Å; Q213-F691 VanDerWaalsContact CB-CE2 3.49Å; Q213-F691 HydrophobicContact CB-CG 3.84Å; Q213-F691 HydrophobicContact CB-CZ 3.4Å; Q213-F691 VanDerWaalsContact CB-CZ 3.4Å; Q213-F691 HydrophobicContact CG-CE1 3.96Å; Q213-F691 HydrophobicContact CG-CE2 4.19Å; Q213-F691 HydrophobicContact CG-CZ 3.71Å; P214-F691 HydrophobicContact CB-CB 4.05Å; P214-F691 HydrophobicContact CG-CB 3.83Å; Y543-F691 HydrophobicContact CE1-CE1 4.46Å; C627-F691 HydrophobicContact CB-CD1 3.81Å; C627-F691 HydrophobicContact CB-CE1 3.83Å; C627-F691 VanDerWaalsContact O-CD1 3.28Å; C627-F691 WeakPolarHBondContact O-CD1 3.36Å; I689-F691 HydrophobicContact CB-CD2 4.23Å; I689-F691 HydrophobicContact CB-CE2 3.59Å; I689-F691 HydrophobicContact CB-CZ 3.78Å; I689-F691 HydrophobicContact CD1-CZ 4.18Å; I689-F691 HydrophobicContact CG2-CD1 4.03Å; I689-F691 HydrophobicContact CG2-CD2 3.96Å; I689-F691 HydrophobicContact CG2-CE1 3.58Å; I689-F691 HydrophobicContact CG2-CE2 3.49Å; I689-F691 VanDerWaalsContact CG2-CE2 3.49Å; I689-F691 HydrophobicContact CG2-CG 4.21Å; I689-F691 HydrophobicContact CG2-CZ 3.29Å; I689-F691 WeakPolarHBondContact O-CD2 3.27Å; I689-F691 PolarHBondContact O-N 3.47Å
692	L	72.6	Confident	67.1	Low	4 Å²	4	79.8 Å²	79.8	2%	0.021	42%	0.424	C	S	.	.	S	Bend	trans	-109.1	-15.4	-171.3	-69	172.1	0	0	0	114.7	L153 M155 P214 Q217 F218 E221 D690	L153-L692 HydrophobicContact CD2-CD2 4.1Å; L153-L692 HydrophobicContact CG-CD2 4.02Å; L153-L692 WeakPolarHBondContact O-CD2 3.49Å; M155-L692 HydrophobicContact CG-CB 4.35Å; M155-L692 HydrophobicContact CG-CD1 4.46Å; M155-L692 HydrophobicContact SD-CD1 3.71Å; P214-L692 HydrophobicContact CB-CD2 3.91Å; Q217-L692 HydrophobicContact CB-CD1 4.1Å; Q217-L692 HydrophobicContact CB-CG 4.45Å; Q217-L692 HydrophobicContact CG-CD1 3.8Å; Q217-L692 HydrophobicContact CG-CG 4.37Å; F218-L692 HydrophobicContact CB-CD1 4.17Å; F218-L692 HydrophobicContact CB-CD2 4.3Å; F218-L692 HydrophobicContact CD2-CD2 4.45Å; E221-L692 HydrophobicContact CG-CD1 4.24Å; D690-L692 PolarHBondContact OD1-N 3.01Å
693	S	57.5	Low	66.2	Low	91 Å²	91	75.7 Å²	75.7	64%	0.636	40%	0.402	S	S	*	.			trans	-98.4	36	179.9	-54.7	0	0	0	0	114	D690	D690-S693 PolarHBondContact OD1-N 2.78Å; D690-S693 WeakPolarHBondContact OD2-CB 3.4Å; D690-S693 PolarHBondContact OD2-OG 2.79Å
694	N	50.2	Low	65.4	Low	141 Å²	141	68.8 Å²	68.8	75%	0.754	39%	0.386	S	S	*	.			trans	-90	0	177.3	-94	-2.3	0	0	0	112.1	K626	K626-N694 PolarHBondContact O-ND2 2.82Å

Retrieved 694 of 694 residues in 216.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).