A0A096M189_POEFO Loading...

Kelch like family member 11

AlphaFold DB , UniProt , Accession A0A096M189, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 713 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	24.4	Very low	24	Very low	244 Å²	244	140.5 Å²	140.5	100%	1.202	80%	0.804	S	S	*	*				0	110.1	0	-74.8	-175.3	-152.1	0	0	107.1
2	C	22.7	Very low	23.9	Very low	124 Å²	124	136.7 Å²	136.7	84%	0.838	79%	0.791	S	S	*	*			trans	35.1	92.6	174.9	-61.6	0	0	0	0	119.3
3	G	21.5	Very low	23.8	Very low	57 Å²	57	134.2 Å²	134.2	59%	0.588	79%	0.787	S	S	*	*			trans	-113.3	115.8	151	0	0	0	0	0	108.2
4	C	25.8	Very low	23.9	Very low	93 Å²	93	135.9 Å²	135.9	63%	0.628	79%	0.79	S	S	*	*			trans	-97.5	101.5	175.5	-104.2	0	0	0	0	109	C6	C4-C6 PolarHBondContact O-N 3.47Å
5	V	24.5	Very low	24	Very low	104 Å²	104	138.2 Å²	138.2	63%	0.63	80%	0.797	S	S	*	*			trans	-80.4	97.4	174.5	-179.7	0	0	0	0	108.2	R7 E284	V5-R7 PolarHBondContact O-N 2.92Å; V5-E284 VanDerWaalsContact CG2-OE1 3.32Å; V5-E284 WeakPolarHBondContact CG2-OE1 3.33Å
6	C	25	Very low	24	Very low	117 Å²	117	141.6 Å²	141.6	79%	0.791	80%	0.802	S	S	*	*			trans	-82.5	109.3	169.8	-88.5	0	0	0	0	110.5	C4 L8	C4-C6 PolarHBondContact O-N 3.47Å; C6-L8 PolarHBondContact O-N 3.17Å
7	R	22.7	Very low	24.1	Very low	235 Å²	235	143.2 Å²	143.2	89%	0.887	81%	0.807	S	S	*	*			trans	-80.2	107.1	166.4	-80.9	-178.5	173.2	-178.5	-1.3	109.4	V5	V5-R7 PolarHBondContact O-N 2.92Å
8	L	26.3	Very low	24.3	Very low	170 Å²	170	141.3 Å²	141.3	89%	0.89	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-79.6	118.4	166.9	-93.9	138.6	0	0	0	109.9	C6	C6-L8 PolarHBondContact O-N 3.17Å
9	V	24.6	Very low	24.7	Very low	127 Å²	127	140.3 Å²	140.3	77%	0.77	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-79.3	123.8	166.9	173.5	0	0	0	0	108.3
10	S	22.8	Very low	24.8	Very low	101 Å²	101	141.5 Å²	141.5	71%	0.706	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-71.4	127.2	175.2	105.8	0	0	0	0	110.1
11	L	24	Very low	24.9	Very low	174 Å²	174	142 Å²	142	91%	0.911	80%	0.804	S	S	*	*			trans	-125.2	91.8	159.5	-90.9	157.5	0	0	0	107.8
12	S	22	Very low	25.1	Very low	94 Å²	94	137.3 Å²	137.3	66%	0.657	79%	0.789	S	S	*	*			trans	-93.6	144.9	160.9	59.4	0	0	0	0	108.7
13	S	23.5	Very low	25.2	Very low	104 Å²	104	137.2 Å²	137.2	73%	0.727	79%	0.79	S	S	*	*			trans	108	133.8	155.8	-43.7	0	0	0	0	117.2
14	L	24.9	Very low	25.5	Very low	159 Å²	159	146.5 Å²	146.5	83%	0.832	81%	0.807	S	S	*	*			trans	92	100.4	164.4	-60.1	150.5	0	0	0	115.7
15	L	24.9	Very low	25.6	Very low	170 Å²	170	147.1 Å²	147.1	89%	0.89	82%	0.819	S	S	*	*				-171.2	129.1	100	-90.8	157.8	0	0	0	111.5
16	H	24.5	Very low	25.7	Very low	192 Å²	192	145.6 Å²	145.6	89%	0.889	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-62.8	134.4	170.6	-86.8	-39.9	0	0	0	111.8
17	L	26.1	Very low	25.8	Very low	169 Å²	169	145.8 Å²	145.8	89%	0.885	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-95	130.4	162.3	-91.8	147.6	0	0	0	109.8
18	P	27.3	Very low	25.9	Very low	110 Å²	110	145.6 Å²	145.6	71%	0.714	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-95.3	160.8	158.6	34.9	-26.7	0	0	0	111.4
19	P	32.3	Very low	25.9	Very low	121 Å²	121	145.8 Å²	145.8	79%	0.786	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-94.2	144.4	-165.4	36	-31.2	0	0	0	112.4
20	L	26.8	Very low	26.1	Very low	164 Å²	164	144.4 Å²	144.4	86%	0.859	83%	0.827	S	S	*	*			trans	-132.2	101.3	167.9	-81.6	169.4	0	0	0	111.8
21	L	26.4	Very low	26.2	Very low	154 Å²	154	144.8 Å²	144.8	81%	0.806	84%	0.836	S	S	*	*				40.4	106.6	128.8	-72.9	156.7	0	0	0	118.6
22	T	27.8	Very low	26.4	Very low	144 Å²	144	141.3 Å²	141.3	88%	0.883	83%	0.832	S	S	*	*			trans	-57	127.3	156.3	49.4	0	0	0	0	111.9
23	S	26	Very low	26.6	Very low	123 Å²	123	141.3 Å²	141.3	86%	0.86	84%	0.838	S	S	*	*			trans	-133.8	142.2	154.2	85.4	0	0	0	0	110.7
24	R	28	Very low	26.9	Very low	251 Å²	251	142.3 Å²	142.3	95%	0.947	84%	0.842	S	S	*	*			trans	-108.9	127.5	-163	-158.5	-172.7	-170.9	-176.1	1.9	107.1
25	A	27.6	Very low	27	Very low	106 Å²	106	142 Å²	142	88%	0.876	84%	0.841	S	S	*	*			trans	-160.3	122.7	155.6	0	0	0	0	0	109.7
26	G	25.3	Very low	28.2	Very low	72 Å²	72	139 Å²	139	74%	0.742	83%	0.832	S	S	*	*			trans	-106.6	162.3	173.9	0	0	0	0	0	111.9
27	S	27.1	Very low	28.3	Very low	122 Å²	122	138.3 Å²	138.3	85%	0.853	83%	0.829	S	S	*	*			trans	-178.6	102.8	152.6	-77	0	0	0	0	106.5
28	R	25.8	Very low	28.4	Very low	231 Å²	231	136.7 Å²	136.7	87%	0.872	82%	0.821	S	S	*	*				63.3	127.5	85.4	-99	-168.2	179.2	-173	0.2	116.5
29	M	26.8	Very low	28.4	Very low	174 Å²	174	136 Å²	136	86%	0.857	82%	0.819	S	S	*	*			trans	85.1	140.9	158.5	-57.6	-142.7	-164.6	0	0	116.5
30	A	27.6	Very low	28.2	Very low	98 Å²	98	134.5 Å²	134.5	81%	0.81	82%	0.817	S	S	*	*			cis	-167.9	137.7	-12.2	0	0	0	0	0	105.3
31	A	26.5	Very low	28.4	Very low	109 Å²	109	138.3 Å²	138.3	90%	0.901	82%	0.82	S	S	*	*			trans	-107.5	124.7	174.2	0	0	0	0	0	108.9
32	A	26.3	Very low	28.5	Very low	101 Å²	101	136.4 Å²	136.4	84%	0.835	82%	0.82	S	S	*	*			trans	-125.4	116	167.7	0	0	0	0	0	107.9
33	A	27	Very low	28.5	Very low	93 Å²	93	132.6 Å²	132.6	77%	0.769	81%	0.809	S	S	*	*			trans	-67.6	164	160.1	0	0	0	0	0	109
34	P	30.8	Very low	28.6	Very low	126 Å²	126	133 Å²	133	82%	0.818	81%	0.812	S	S	*	*				-148.5	160.6	68.1	35.6	-13.9	0	0	0	116.4
35	N	25.6	Very low	28.6	Very low	152 Å²	152	124.9 Å²	124.9	81%	0.813	81%	0.806	S	S	*	*			trans	-86.6	-178.9	155.6	-97	-3.3	0	0	0	108.8
36	P	51.2	Low	28.7	Very low	108 Å²	108	123.7 Å²	123.7	70%	0.701	80%	0.804	S	S	*	*			cis	-137.3	-154.4	-25.1	32.6	-8.8	0	0	0	111.6
37	E	26.9	Very low	28.9	Very low	177 Å²	177	124.5 Å²	124.5	83%	0.827	81%	0.813	S	S	*	*			trans	99.2	130.3	176.6	-59	-174.9	178.3	0	0	113.3
38	D	27.7	Very low	28.9	Very low	134 Å²	134	122.5 Å²	122.5	72%	0.717	81%	0.811	S	S	*	*			cis	-162	157.6	9.5	-138.4	-28.6	0	0	0	112.2
39	S	27.9	Very low	29.2	Very low	95 Å²	95	118 Å²	118	66%	0.664	81%	0.81	S	S	*	*			trans	1.6	136.1	159.6	50.3	0	0	0	0	125.3
40	A	28.1	Very low	29.4	Very low	90 Å²	90	115 Å²	115	74%	0.744	81%	0.806	S	S	*	*				66.1	117.7	126.3	0	0	0	0	0	121.9
41	R	30.2	Very low	29.8	Very low	244 Å²	244	115.9 Å²	115.9	92%	0.921	81%	0.806	S	S	*	*				170.8	146.6	100	-96.3	179.1	173.7	170.4	-1.2	112.4
42	S	28.7	Very low	30	Very low	115 Å²	115	116.5 Å²	116.5	80%	0.804	80%	0.804	S	S	*	*			trans	-48.6	149.7	170.4	52.5	0	0	0	0	116.5
43	G	27.7	Very low	30.5	Very low	64 Å²	64	118 Å²	118	66%	0.66	80%	0.803	S	S	*	*				125.7	108.7	125.8	0	0	0	0	0	118
44	S	28.7	Very low	31.8	Very low	132 Å²	132	119.2 Å²	119.2	92%	0.923	80%	0.803	S	S	*	*			trans	71.8	138.4	141.7	72	0	0	0	0	121
45	G	28.1	Very low	31.8	Very low	80 Å²	80	119 Å²	119	83%	0.825	80%	0.804	S	S	*	*			trans	132.7	108	147	0	0	0	0	0	113.2
46	G	28.5	Very low	32.2	Very low	81 Å²	81	116.1 Å²	116.1	84%	0.835	80%	0.801	S	S	*	*			trans	-84.1	166.1	-176.9	0	0	0	0	0	115
47	G	28.9	Very low	31.7	Very low	89 Å²	89	119.2 Å²	119.2	92%	0.918	81%	0.811	S	S	*	*			trans	66.9	123.7	136.5	0	0	0	0	0	119
48	G	28.5	Very low	32.4	Very low	80 Å²	80	115.8 Å²	115.8	83%	0.825	81%	0.813	S	S	*	*			trans	155.8	99.7	157.6	0	0	0	0	0	114
49	T	31.3	Very low	33	Very low	137 Å²	137	113.2 Å²	113.2	84%	0.84	82%	0.818	S	S	*	*			trans	-66.5	146.7	169.3	42.1	0	0	0	0	112.4
50	S	31.7	Very low	34	Very low	111 Å²	111	116.8 Å²	116.8	78%	0.776	83%	0.83	S	S	*	*				156.3	117.6	124.3	53.1	0	0	0	0	114.4
51	S	35.8	Very low	35.1	Very low	115 Å²	115	115.4 Å²	115.4	80%	0.804	82%	0.824	S	S	*	*			trans	10.4	137.6	143.8	50.3	0	0	0	0	123
52	S	31.1	Very low	36.2	Very low	123 Å²	123	111.1 Å²	111.1	86%	0.86	82%	0.82	S	S	*	*				-154.4	118.1	126.5	46	0	0	0	0	112
53	T	36.8	Very low	37.7	Very low	132 Å²	132	110.1 Å²	110.1	81%	0.81	82%	0.818	S	S	*	*			trans	-81.3	-176.6	164.3	38.3	0	0	0	0	109.7
54	P	53.2	Low	39.4	Very low	119 Å²	119	115.7 Å²	115.7	77%	0.773	83%	0.827	S	S	*	*			cis	-151.4	-174.6	20	41.3	-18.2	0	0	0	118.9
55	S	30.4	Very low	41.3	Very low	120 Å²	120	119.1 Å²	119.1	84%	0.839	83%	0.829	S	S	*	*			trans	129.7	129.2	146.1	-163.4	0	0	0	0	112.2
56	A	34.4	Very low	43.6	Very low	92 Å²	92	119.2 Å²	119.2	76%	0.76	82%	0.822	S	S	*	*			cis	-157	162.9	15.1	0	0	0	0	0	111.4
57	L	41	Very low	46.1	Very low	173 Å²	173	124.7 Å²	124.7	91%	0.906	83%	0.826	S	S	*	*			trans	-66.6	147.8	179	-71.1	119.5	0	0	0	115.6
58	A	41.1	Very low	48.7	Very low	106 Å²	106	128.1 Å²	128.1	88%	0.876	82%	0.823	S	S	*	*				169.4	116.8	107	0	0	0	0	0	112.4
59	G	41.2	Very low	51.7	Low	79 Å²	79	133.1 Å²	133.1	81%	0.814	82%	0.822	S	S	*	*			trans	169.8	83.7	172.9	0	0	0	0	0	109.6	G61	G59-G61 PolarHBondContact O-N 3.09Å
60	D	48.8	Very low	54.3	Low	171 Å²	171	132.6 Å²	132.6	91%	0.914	82%	0.819	S	S	*	*			trans	-71.9	120.9	-172.9	-153.4	14.7	0	0	0	111
61	G	51.5	Low	57.2	Low	61 Å²	61	129.8 Å²	129.8	63%	0.629	80%	0.799	S	S	*	*	S	Bend	trans	162.1	80	-171.1	0	0	0	0	0	106.1	G59 A63	G59-G61 PolarHBondContact O-N 3.09Å; G61-A63 PolarHBondContact O-N 2.63Å
62	D	53.8	Low	59.8	Low	153 Å²	153	130.3 Å²	130.3	82%	0.818	80%	0.803	S	S	*	*			trans	-39.5	103.2	-175.8	-71.2	-46	0	0	0	111.6	E64	D62-E64 PolarHBondContact O-N 2.87Å; D62-E64 VanDerWaalsContact O-N 3.17Å
63	A	59.4	Low	62.8	Low	94 Å²	94	127.7 Å²	127.7	78%	0.777	79%	0.785	S	S	*	*			trans	-73.5	104	164.9	0	0	0	0	0	106	G61 E65	G61-A63 PolarHBondContact O-N 2.63Å; A63-E65 PolarHBondContact O-N 3.39Å; A63-E65 VanDerWaalsContact O-N 3.09Å
64	E	64.2	Low	65.4	Low	182 Å²	182	126.8 Å²	126.8	85%	0.85	77%	0.771	S	S	*	*			trans	-47.9	118.2	174.7	-73.2	-176.5	151	0	0	109.5	D62 A66	D62-E64 PolarHBondContact O-N 2.87Å; D62-E64 VanDerWaalsContact O-N 3.17Å; E64-A66 VanDerWaalsContact C-N 3.27Å; E64-A66 PolarHBondContact O-N 3.01Å
65	E	67.8	Low	67.3	Low	204 Å²	204	125.5 Å²	125.5	95%	0.953	76%	0.764	S	S	*	*			trans	-65.6	89.9	168.2	-71.7	-176.6	162.6	0	0	107.9	A63	A63-E65 PolarHBondContact O-N 3.39Å; A63-E65 VanDerWaalsContact O-N 3.09Å
66	A	75.9	Confident	70.2	Confident	82 Å²	82	123.2 Å²	123.2	68%	0.678	75%	0.748	S	S	*	*			trans	-97.3	127.3	176.7	0	0	0	0	0	110.6	E64	E64-A66 VanDerWaalsContact C-N 3.27Å; E64-A66 PolarHBondContact O-N 3.01Å
67	E	80.6	Confident	72.9	Confident	196 Å²	196	121.4 Å²	121.4	92%	0.916	72%	0.724	S	S	*	*			trans	-106.1	127	168.5	-73.8	-169.4	163.9	0	0	110.4
68	D	84.8	Confident	75.5	Confident	161 Å²	161	117 Å²	117	86%	0.861	70%	0.701	S	S	*	*			trans	-84.6	119.1	176.3	-69.2	-33.1	0	0	0	111
69	F	90.6	Very high	78	Confident	184 Å²	184	113.3 Å²	113.3	81%	0.807	67%	0.668	S	S	*	*			trans	-103.3	121.9	172.8	174.8	-101.6	0	0	0	111.4
70	T	87.2	Confident	80.5	Confident	126 Å²	126	114.7 Å²	114.7	77%	0.773	65%	0.649	S	S	*	*			trans	-120.5	122.7	174	60.3	0	0	0	0	111.1
71	S	91.9	Very high	82.6	Confident	52 Å²	52	113.3 Å²	113.3	36%	0.364	63%	0.631	S	S	.	*			trans	-92.9	116.6	173.2	175.9	0	0	0	0	110.8	S73 H74	S71-S73 VanDerWaalsContact C-N 3.29Å; S71-S73 PolarHBondContact O-N 2.85Å; S71-H74 PolarHBondContact O-N 3.4Å
72	S	91.1	Very high	84.7	Confident	126 Å²	126	113 Å²	113	88%	0.881	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-25.1	-178.4	56	0	0	0	0	114
73	S	92.3	Very high	86.6	Confident	69 Å²	69	106.3 Å²	106.3	48%	0.483	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.6	-8.7	-178.8	60.1	0	0	0	0	114.1	S71 C75 S76 E77	S71-S73 VanDerWaalsContact C-N 3.29Å; S71-S73 PolarHBondContact O-N 2.85Å; S73-C75 PolarHBondContact O-N 3Å; S73-S76 PolarHBondContact O-OG 3.11Å; S73-E77 WeakPolarHBondContact O-CB 3.39Å; S73-E77 PolarHBondContact O-N 3.07Å
74	H	93.3	Very high	88.2	Confident	113 Å²	113	105.8 Å²	105.8	52%	0.523	56%	0.559	S	S	.	*	H	α-helix	trans	-61.7	-48.8	-173.8	177.6	-91.8	0	0	0	112.3	S71 S76 E77 L78	S71-H74 PolarHBondContact O-N 3.4Å; H74-S76 PolarHBondContact O-N 3.41Å; H74-E77 PolarHBondContact O-N 3.46Å; H74-L78 WeakPolarHBondContact O-CB 3.39Å; H74-L78 PolarHBondContact O-N 3.37Å
75	C	91.8	Very high	89.6	Confident	92 Å²	92	100.3 Å²	100.3	62%	0.622	53%	0.533	S	S	*	.	H	α-helix	trans	-65.6	-39.9	-177.7	-64.2	0	0	0	0	112.9	S73 S79	S73-C75 PolarHBondContact O-N 3Å; C75-S79 WeakPolarHBondContact O-CB 3.42Å; C75-S79 PolarHBondContact O-N 3.48Å; C75-S79 PolarHBondContact O-OG 3.1Å
76	S	91.6	Very high	90.9	Very high	71 Å²	71	91.1 Å²	91.1	50%	0.497	49%	0.49	S	S	.	.	H	α-helix	trans	-68.4	-39.3	177.3	55	0	0	0	0	112.3	S73 H74 S79 R80	S73-S76 PolarHBondContact O-OG 3.11Å; H74-S76 PolarHBondContact O-N 3.41Å; S76-S79 PolarHBondContact O-OG 3.33Å; S76-S79 VanDerWaalsContact O-OG 3.13Å; S76-R80 VanDerWaalsContact O-CB 3.23Å; S76-R80 WeakPolarHBondContact O-CB 3.41Å; S76-R80 PolarHBondContact O-N 3.36Å
77	E	92	Very high	91.6	Very high	54 Å²	54	93 Å²	93	25%	0.252	48%	0.483	S	S	.	.	H	α-helix	trans	-72.4	-36.8	177.4	-178.1	60.5	-167.5	0	0	111.4	S73 H74 R80 R81	S73-E77 WeakPolarHBondContact O-CB 3.39Å; S73-E77 PolarHBondContact O-N 3.07Å; H74-E77 PolarHBondContact O-N 3.46Å; E77-R80 IonicContact OE1-CZ 3.72Å; E77-R80 IonicContact OE1-NE 2.83Å; E77-R80 IonicContact OE1-NH2 3.19Å; E77-R80 PolarHBondContact OE1-NH2 3.21Å; E77-R80 IonicContact OE2-CZ 3.06Å; E77-R80 IonicContact OE2-NE 2.84Å; E77-R80 PolarHBondContact OE2-NE 3.41Å; E77-R80 IonicContact OE2-NH2 3.41Å; E77-R80 PolarHBondContact OE2-NH2 3.43Å; E77-R81 WeakPolarHBondContact O-CB 3.43Å; E77-R81 VanDerWaalsContact O-CG 3.3Å; E77-R81 WeakPolarHBondContact O-CG 3.42Å; E77-R81 PolarHBondContact O-N 3.22Å; E77-R81 IonicContact OE1-CZ 3.45Å; E77-R81 IonicContact OE1-NE 2.82Å; E77-R81 PolarHBondContact OE1-NE 3.49Å; E77-R81 IonicContact OE1-NH2 3.24Å; E77-R81 PolarHBondContact OE1-NH2 3.5Å
78	L	94.1	Very high	92.2	Very high	82 Å²	82	90.3 Å²	90.3	43%	0.429	47%	0.47	S	S	.	.	H	α-helix	trans	-60.2	-50.5	174.5	179.5	64.4	0	0	0	111.1	H74 R81 Q82	H74-L78 WeakPolarHBondContact O-CB 3.39Å; H74-L78 PolarHBondContact O-N 3.37Å; L78-R81 PolarHBondContact O-N 3.08Å; L78-Q82 WeakPolarHBondContact O-CG 3.48Å; L78-Q82 PolarHBondContact O-N 2.74Å
79	S	94.1	Very high	92.5	Very high	28 Å²	28	84.8 Å²	84.8	20%	0.196	45%	0.451	C	S	.	.	H	α-helix	trans	-66.7	-38.1	-178.9	72.7	0	0	0	0	112.2	C75 S76 Q82 N83 Y166	C75-S79 WeakPolarHBondContact O-CB 3.42Å; C75-S79 PolarHBondContact O-N 3.48Å; C75-S79 PolarHBondContact O-OG 3.1Å; S76-S79 PolarHBondContact O-OG 3.33Å; S76-S79 VanDerWaalsContact O-OG 3.13Å; S79-Q82 PolarHBondContact O-N 2.92Å; S79-N83 PolarHBondContact O-N 3.29Å; S79-Y166 VanDerWaalsContact CB-O 3.29Å; S79-Y166 WeakPolarHBondContact CB-O 3.46Å
80	R	93.5	Very high	92.5	Very high	108 Å²	108	79.7 Å²	79.7	41%	0.408	43%	0.432	S	S	.	.	H	α-helix	trans	-59.7	-47.3	172.9	-168.1	-176.6	77.5	74.8	10.1	111.8	S76 E77 N83 E84	S76-R80 VanDerWaalsContact O-CB 3.23Å; S76-R80 WeakPolarHBondContact O-CB 3.41Å; S76-R80 PolarHBondContact O-N 3.36Å; E77-R80 IonicContact OE1-CZ 3.72Å; E77-R80 IonicContact OE1-NE 2.83Å; E77-R80 IonicContact OE1-NH2 3.19Å; E77-R80 PolarHBondContact OE1-NH2 3.21Å; E77-R80 IonicContact OE2-CZ 3.06Å; E77-R80 IonicContact OE2-NE 2.84Å; E77-R80 PolarHBondContact OE2-NE 3.41Å; E77-R80 IonicContact OE2-NH2 3.41Å; E77-R80 PolarHBondContact OE2-NH2 3.43Å; R80-N83 WeakPolarHBondContact O-CB 2.96Å; R80-N83 PolarHBondContact O-N 3.45Å; R80-E84 IonicContact CZ-OE1 2.71Å; R80-E84 IonicContact NH1-OE1 2.8Å; R80-E84 PolarHBondContact NH1-OE1 3.42Å; R80-E84 IonicContact NH2-OE1 2.72Å; R80-E84 PolarHBondContact O-N 2.89Å
81	R	93.3	Very high	92.7	Very high	142 Å²	142	81.3 Å²	81.3	54%	0.536	43%	0.428	S	S	.	.	H	α-helix	trans	-66.1	-38	177.1	-72.9	-178.7	-170.7	-177.3	5.4	112.6	E77 L78 N83 E84 Q85	E77-R81 WeakPolarHBondContact O-CB 3.43Å; E77-R81 VanDerWaalsContact O-CG 3.3Å; E77-R81 WeakPolarHBondContact O-CG 3.42Å; E77-R81 PolarHBondContact O-N 3.22Å; E77-R81 IonicContact OE1-CZ 3.45Å; E77-R81 IonicContact OE1-NE 2.82Å; E77-R81 PolarHBondContact OE1-NE 3.49Å; E77-R81 IonicContact OE1-NH2 3.24Å; E77-R81 PolarHBondContact OE1-NH2 3.5Å; L78-R81 PolarHBondContact O-N 3.08Å; R81-N83 VanDerWaalsContact C-N 3.27Å; R81-N83 PolarHBondContact O-N 3.3Å; R81-E84 PolarHBondContact O-N 2.95Å; R81-Q85 WeakPolarHBondContact O-CG 3.26Å; R81-Q85 PolarHBondContact O-N 3.48Å
82	Q	94.6	Very high	92.7	Very high	55 Å²	55	80.5 Å²	80.5	26%	0.257	42%	0.422	S	S	.	.	H	α-helix	trans	-62.4	-35.5	174	-75.4	175.2	-28.7	0	0	111.9	L78 S79 R86 H115 Y166	L78-Q82 WeakPolarHBondContact O-CG 3.48Å; L78-Q82 PolarHBondContact O-N 2.74Å; S79-Q82 PolarHBondContact O-N 2.92Å; Q82-R86 PolarHBondContact O-N 3.19Å; Q82-H115 PolarHBondContact O-CE1 3.46Å; Q82-Y166 HydrophobicContact CB-CD1 4.07Å; Q82-Y166 HydrophobicContact CB-CE1 4.18Å; Q82-Y166 WeakPolarHBondContact O-CE1 3.32Å
83	N	93.6	Very high	92.6	Very high	12 Å²	12	78.3 Å²	78.3	6%	0.064	40%	0.401	C	S	.	.	H	α-helix	trans	-70.2	-38.1	174.1	-170.6	41.6	0	0	0	112.2	S79 R80 R81 R86 K87 Y166 T167	S79-N83 PolarHBondContact O-N 3.29Å; R80-N83 WeakPolarHBondContact O-CB 2.96Å; R80-N83 PolarHBondContact O-N 3.45Å; R81-N83 VanDerWaalsContact C-N 3.27Å; R81-N83 PolarHBondContact O-N 3.3Å; N83-R86 WeakPolarHBondContact O-CB 3.14Å; N83-R86 PolarHBondContact O-N 3.36Å; N83-R86 PolarHBondContact OD1-NE 3.34Å; N83-R86 PolarHBondContact OD1-NH2 3.5Å; N83-K87 WeakPolarHBondContact O-CG 3.32Å; N83-K87 PolarHBondContact O-N 2.99Å; N83-Y166 HydrophobicContact CB-CD1 3.97Å; N83-Y166 HydrophobicContact CB-CG 4.22Å; N83-T167 HydrophobicContact CB-CG2 4.15Å
84	E	93.8	Very high	92.5	Very high	83 Å²	83	75.1 Å²	75.1	39%	0.388	38%	0.378	S	S	.	.	H	α-helix	trans	-62.5	-42.6	172.9	-72.2	176.1	176.7	0	0	111.8	R80 R81 R86 K87 Q88	R80-E84 IonicContact CZ-OE1 2.71Å; R80-E84 IonicContact NH1-OE1 2.8Å; R80-E84 PolarHBondContact NH1-OE1 3.42Å; R80-E84 IonicContact NH2-OE1 2.72Å; R80-E84 PolarHBondContact O-N 2.89Å; R81-E84 PolarHBondContact O-N 2.95Å; E84-R86 VanDerWaalsContact C-N 3.34Å; E84-R86 PolarHBondContact O-N 3.4Å; E84-K87 PolarHBondContact O-N 2.6Å; E84-Q88 WeakPolarHBondContact O-CG 3.27Å; E84-Q88 PolarHBondContact O-N 3.35Å
85	Q	93.6	Very high	92.4	Very high	66 Å²	66	71.5 Å²	71.5	31%	0.308	36%	0.364	S	S	.	.	H	α-helix	trans	-58.9	-45.4	173.8	-73.6	170.2	-8.6	0	0	111.4	R81 K87 Q88 G89 L90	R81-Q85 WeakPolarHBondContact O-CG 3.26Å; R81-Q85 PolarHBondContact O-N 3.48Å; Q85-K87 PolarHBondContact O-N 3.21Å; Q85-Q88 CarbonylContact O-C 3.49Å; Q85-Q88 PolarHBondContact O-N 3.12Å; Q85-Q88 VanDerWaalsContact O-N 3.12Å; Q85-G89 PolarHBondContact O-N 3.14Å; Q85-L90 HydrophobicContact CB-CB 4.23Å; Q85-L90 HydrophobicContact CG-CB 4.49Å; Q85-L90 PolarHBondContact O-N 2.91Å
86	R	94.6	Very high	92.3	Very high	12 Å²	12	67.1 Å²	67.1	5%	0.045	34%	0.335	C	S	.	.	H	α-helix	trans	-56.5	-48.7	175.9	-176.3	-170.5	60.9	87.4	0.6	111.7	Q82 N83 E84 Q88 G89 S113 E159 Y166	Q82-R86 PolarHBondContact O-N 3.19Å; N83-R86 WeakPolarHBondContact O-CB 3.14Å; N83-R86 PolarHBondContact O-N 3.36Å; N83-R86 PolarHBondContact OD1-NE 3.34Å; N83-R86 PolarHBondContact OD1-NH2 3.5Å; E84-R86 VanDerWaalsContact C-N 3.34Å; E84-R86 PolarHBondContact O-N 3.4Å; R86-Q88 PolarHBondContact O-N 2.9Å; R86-G89 PolarHBondContact O-N 3.23Å; R86-S113 WeakPolarHBondContact CG-O 3.49Å; R86-E159 IonicContact CZ-OE1 2.79Å; R86-E159 VanDerWaalsContact CZ-OE1 3.31Å; R86-E159 IonicContact CZ-OE2 3.81Å; R86-E159 VanDerWaalsContact NH1-CD 3.31Å; R86-E159 IonicContact NH1-OE1 3.99Å; R86-E159 PolarHBondContact NH1-OE1 3.49Å; R86-E159 VanDerWaalsContact NH1-OE1 3.09Å; R86-E159 IonicContact NH1-OE2 3.07Å; R86-E159 PolarHBondContact NH1-OE2 3.12Å; R86-E159 IonicContact NH2-OE1 3.78Å; R86-E159 PolarHBondContact NH2-OE1 3.01Å; R86-E159 IonicContact NH2-OE2 2.63Å; R86-Y166 HydrophobicContact CB-CE1 4Å
87	K	91.8	Very high	92.1	Very high	121 Å²	121	63.9 Å²	63.9	53%	0.526	31%	0.312	S	S	.	.	H	α-helix	trans	-61.8	-25.9	179.5	-71.6	-177.8	-179.4	-174.3	0	113.2	N83 E84 Q85	N83-K87 WeakPolarHBondContact O-CG 3.32Å; N83-K87 PolarHBondContact O-N 2.99Å; E84-K87 PolarHBondContact O-N 2.6Å; Q85-K87 PolarHBondContact O-N 3.21Å
88	Q	92.9	Very high	91.8	Very high	140 Å²	140	61.8 Å²	61.8	65%	0.654	30%	0.302	S	S	*	.	H	α-helix	trans	-92.9	-4.2	175.5	-64.6	176.1	12.4	0	0	113.3	E84 Q85 R86 L90	E84-Q88 WeakPolarHBondContact O-CG 3.27Å; E84-Q88 PolarHBondContact O-N 3.35Å; Q85-Q88 CarbonylContact O-C 3.49Å; Q85-Q88 PolarHBondContact O-N 3.12Å; Q85-Q88 VanDerWaalsContact O-N 3.12Å; R86-Q88 PolarHBondContact O-N 2.9Å; Q88-L90 VanDerWaalsContact C-N 3.28Å; Q88-L90 HydrophobicContact CB-CD1 4.16Å; Q88-L90 HydrophobicContact CB-CG 4.02Å; Q88-L90 PolarHBondContact O-N 3.12Å
89	G	90.3	Very high	90.7	Very high	44 Å²	44	59.4 Å²	59.4	45%	0.454	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	17.5	-176.2	0	0	0	0	0	114.5	Q85 R86	Q85-G89 PolarHBondContact O-N 3.14Å; R86-G89 PolarHBondContact O-N 3.23Å
90	L	91.3	Very high	89.1	Confident	77 Å²	77	59.1 Å²	59.1	40%	0.403	29%	0.29	S	S	.	.			trans	-81.4	128	-178.4	-66.1	175.2	0	0	0	110.5	Q85 Q88 C92 H115	Q85-L90 HydrophobicContact CB-CB 4.23Å; Q85-L90 HydrophobicContact CG-CB 4.49Å; Q85-L90 PolarHBondContact O-N 2.91Å; Q88-L90 VanDerWaalsContact C-N 3.28Å; Q88-L90 HydrophobicContact CB-CD1 4.16Å; Q88-L90 HydrophobicContact CB-CG 4.02Å; Q88-L90 PolarHBondContact O-N 3.12Å; L90-C92 PolarHBondContact O-N 2.86Å; L90-H115 PolarHBondContact O-NE2 2.95Å
91	F	92.1	Very high	87	Confident	160 Å²	160	57 Å²	57	70%	0.702	30%	0.303	S	S	*	.	S	Bend	trans	63.4	10.1	177.5	-44.9	-68.2	0	0	0	116	D93 H115	F91-D93 PolarHBondContact O-N 2.94Å; F91-H115 PolarHBondContact O-CD2 3.19Å; F91-H115 VanDerWaalsContact O-CD2 3.3Å
92	C	90.9	Very high	84.5	Confident	36 Å²	36	52.9 Å²	52.9	24%	0.243	30%	0.298	C	S	.	.			trans	-64.8	129.9	174.8	-62	0	0	0	0	111.3	L90 A114	L90-C92 PolarHBondContact O-N 2.86Å; C92-A114 WeakPolarHBondContact CA-O 3.48Å; C92-A114 WeakPolarHBondContact CB-O 3.3Å
93	D	90.1	Very high	82.1	Confident	79 Å²	79	55.5 Å²	55.5	42%	0.422	33%	0.329	S	S	.	.			trans	-122.6	4.6	-175	61.4	-21.3	0	0	0	112.7	F91 A114 H115 R116	F91-D93 PolarHBondContact O-N 2.94Å; D93-A114 PolarHBondContact N-O 3.02Å; D93-A114 VanDerWaalsContact N-O 3.16Å; D93-H115 VanDerWaalsContact OD1-CA 3.23Å; D93-H115 WeakPolarHBondContact OD1-CA 3.24Å; D93-R116 HydrophobicContact CB-CG 4.45Å; D93-R116 VanDerWaalsContact CG-CG 3.43Å; D93-R116 WeakPolarHBondContact OD1-CG 3.45Å; D93-R116 PolarHBondContact OD1-N 3.05Å; D93-R116 WeakPolarHBondContact OD2-CB 3.41Å; D93-R116 WeakPolarHBondContact OD2-CD 3.49Å; D93-R116 VanDerWaalsContact OD2-CG 3.24Å; D93-R116 WeakPolarHBondContact OD2-CG 3.48Å
94	V	89.9	Confident	79.5	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.018	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	143.8	171.4	61.5	0	0	0	0	111.5	L96 A114 R116 L119 L130 G140 V142	V94-L96 HydrophobicContact CG2-CD2 4.46Å; V94-A114 HydrophobicContact CG1-CB 4.15Å; V94-A114 WeakPolarHBondContact CG1-O 3.39Å; V94-A114 PolarHBondContact N-O 3.28Å; V94-A114 PolarHBondContact O-N 3.07Å; V94-R116 HydrophobicContact CB-CG 3.73Å; V94-R116 HydrophobicContact CG1-CG 3.73Å; V94-L119 HydrophobicContact CG1-CD1 3.9Å; V94-L130 HydrophobicContact CG2-CD2 4Å; V94-G140 WeakPolarHBondContact CA-O 3.27Å; V94-V142 HydrophobicContact CG2-CG2 3.95Å
95	T	90.6	Very high	77	Confident	36 Å²	36	60.7 Å²	60.7	22%	0.221	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.7	172.6	-55.3	0	0	0	0	110.4	E111 G140 R141 V142	T95-E111 HydrophobicContact CG2-CB 3.86Å; T95-E111 HydrophobicContact CG2-CG 4.35Å; T95-G140 PolarHBondContact N-O 2.89Å; T95-R141 WeakPolarHBondContact O-CA 3.49Å; T95-V142 PolarHBondContact O-N 3.19Å
96	L	89.7	Confident	74.6	Confident	1 Å²	1	62 Å²	62	1%	0.005	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	117.8	173.3	-55.5	180	0	0	0	109	V94 F98 E111 F112 L119 F126 V142 M144 I162	V94-L96 HydrophobicContact CG2-CD2 4.46Å; L96-F98 HydrophobicContact CB-CE2 3.87Å; L96-E111 CarbonylContact O-C 3.57Å; L96-E111 WeakPolarHBondContact O-CA 3.35Å; L96-F112 PolarHBondContact N-O 3.44Å; L96-F112 PolarHBondContact O-N 2.88Å; L96-L119 HydrophobicContact CD1-CD1 4.25Å; L96-L119 HydrophobicContact CD2-CD1 4.43Å; L96-F126 HydrophobicContact CD1-CZ 4.41Å; L96-F126 HydrophobicContact CD2-CE1 4.02Å; L96-F126 HydrophobicContact CD2-CZ 4.44Å; L96-V142 HydrophobicContact CD2-CB 3.96Å; L96-V142 HydrophobicContact CD2-CG2 4.23Å; L96-M144 HydrophobicContact CD2-CE 4.02Å; L96-I162 HydrophobicContact CD1-CD1 4.08Å; L96-I162 HydrophobicContact CD1-CG1 4.47Å
97	A	87.8	Confident	72.4	Confident	2 Å²	2	66.4 Å²	66.4	2%	0.017	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.6	178.5	0	0	0	0	0	110.3	C110 E111 V142 E143 M144	A97-C110 WeakPolarHBondContact CA-O 3.22Å; A97-E111 HydrophobicContact CB-CG 4.24Å; A97-V142 PolarHBondContact N-O 3.02Å; A97-E143 HydrophobicContact CB-CG 4.48Å; A97-M144 PolarHBondContact O-N 3.42Å
98	F	84.8	Confident	70.7	Confident	11 Å²	11	68.5 Å²	68.5	5%	0.048	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	112.4	175.1	-64	-102.7	0	0	0	108	L96 S109 C110 F112 M144 W147 P153 V158 L183 F187	L96-F98 HydrophobicContact CB-CE2 3.87Å; F98-S109 WeakPolarHBondContact O-CA 3.23Å; F98-C110 PolarHBondContact N-O 3.02Å; F98-C110 PolarHBondContact O-N 2.99Å; F98-C110 VanDerWaalsContact O-N 3.09Å; F98-F112 AromaticContact CD2-CD2 3.65Å; F98-F112 HydrophobicContact CD2-CD2 3.65Å; F98-F112 AromaticContact CD2-CE2 3.84Å; F98-F112 HydrophobicContact CD2-CE2 3.84Å; F98-F112 AromaticContact CE2-CD2 3.73Å; F98-F112 HydrophobicContact CE2-CD2 3.73Å; F98-F112 HydrophobicContact CE2-CE2 4.16Å; F98-M144 HydrophobicContact CD1-CB 4.2Å; F98-M144 HydrophobicContact CE1-CB 4.34Å; F98-M144 HydrophobicContact CE1-CG 4.3Å; F98-M144 HydrophobicContact CZ-CG 4.44Å; F98-W147 AromaticContact CD1-CE2 3.88Å; F98-W147 HydrophobicContact CD1-CH2 4.25Å; F98-W147 AromaticContact CD1-CZ2 3.4Å; F98-W147 HydrophobicContact CD1-CZ2 3.4Å; F98-W147 AromaticContact CE1-CH2 3.85Å; F98-W147 HydrophobicContact CE1-CH2 3.85Å; F98-W147 AromaticContact CE1-CZ2 3.4Å; F98-W147 HydrophobicContact CE1-CZ2 3.4Å; F98-W147 VanDerWaalsContact CE1-CZ2 3.4Å; F98-P153 HydrophobicContact CD1-CG 4.02Å; F98-P153 HydrophobicContact CE1-CG 4.42Å; F98-V158 HydrophobicContact CD1-CG2 4.19Å; F98-V158 HydrophobicContact CD2-CG1 3.97Å; F98-V158 HydrophobicContact CE1-CG1 4Å; F98-V158 HydrophobicContact CE1-CG2 4.06Å; F98-V158 HydrophobicContact CE2-CG1 3.39Å; F98-V158 HydrophobicContact CZ-CG1 3.4Å; F98-V158 VanDerWaalsContact CZ-CG1 3.4Å; F98-V158 HydrophobicContact CZ-CG2 4.32Å; F98-L183 HydrophobicContact CE1-CD2 4.04Å; F98-F187 HydrophobicContact CE1-CZ 4.46Å; F98-F187 HydrophobicContact CZ-CZ 4.28Å
99	S	70.8	Confident	69.3	Low	32 Å²	32	63.9 Å²	63.9	22%	0.224	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	128.2	-176.3	59	0	0	0	0	111.9
100	S	60.9	Low	68.8	Low	21 Å²	21	64.1 Å²	64.1	15%	0.147	42%	0.419	C	S	.	.			trans	-78.9	135.5	166.2	171.7	0	0	0	0	111.1	A102 E150 L151	S100-A102 PolarHBondContact O-N 3.17Å; S100-A102 VanDerWaalsContact O-N 3.16Å; S100-E150 WeakPolarHBondContact CA-O 3.23Å; S100-E150 PolarHBondContact OG-O 3.25Å; S100-L151 WeakPolarHBondContact OG-CA 3.43Å
101	G	50.6	Low	68.7	Low	65 Å²	65	65.5 Å²	65.5	67%	0.67	42%	0.424	S	S	*	.			trans	-84.5	65.4	177.4	0	0	0	0	0	112.5	E150	G101-E150 PolarHBondContact N-O 3.16Å; G101-E150 VanDerWaalsContact N-O 3.08Å
102	A	40.8	Very low	68.6	Low	54 Å²	54	59.1 Å²	59.1	45%	0.446	40%	0.396	S	S	.	.			trans	-93.7	126.3	173.4	0	0	0	0	0	112.2	S100 T104	S100-A102 PolarHBondContact O-N 3.17Å; S100-A102 VanDerWaalsContact O-N 3.16Å; A102-T104 PolarHBondContact O-N 3.01Å
103	A	42.5	Very low	68.7	Low	110 Å²	110	59.8 Å²	59.8	91%	0.909	40%	0.401	S	S	*	.	S	Bend	trans	-69.2	9.1	176.4	0	0	0	0	0	114.9
104	T	40.1	Very low	68.9	Low	113 Å²	113	56 Å²	56	69%	0.693	38%	0.381	S	S	*	.	S	Bend	trans	-131.2	86.9	-177.3	51.8	0	0	0	0	111.7	A102 S106	A102-T104 PolarHBondContact O-N 3.01Å; T104-S106 VanDerWaalsContact C-N 3.28Å; T104-S106 PolarHBondContact O-N 3.24Å
105	G	42.1	Very low	69	Low	92 Å²	92	56.4 Å²	56.4	95%	0.948	38%	0.382	S	S	*	.	S	Bend	trans	65.2	-15.2	141.2	0	0	0	0	0	121.5
106	S	41.3	Very low	69	Low	93 Å²	93	57.8 Å²	57.8	65%	0.65	38%	0.383	S	S	*	.			trans	-137.9	95.8	175.8	58.6	0	0	0	0	110.3	T104 Q108	T104-S106 VanDerWaalsContact C-N 3.28Å; T104-S106 PolarHBondContact O-N 3.24Å; S106-Q108 PolarHBondContact O-N 3.34Å; S106-Q108 VanDerWaalsContact O-N 3.09Å
107	V	48.8	Very low	69.1	Low	104 Å²	104	61.6 Å²	61.6	63%	0.63	41%	0.41	S	S	*	.			trans	-69.1	101.8	172.2	-178.5	0	0	0	0	107.6	S109	V107-S109 PolarHBondContact O-N 3.42Å; V107-S109 VanDerWaalsContact O-N 3.16Å
108	Q	55.7	Low	69.4	Low	165 Å²	165	62.2 Å²	62.2	77%	0.771	41%	0.413	S	S	*	.			trans	-74.2	97.8	160.3	-94.6	177.6	-29.4	0	0	106.8	S106	S106-Q108 PolarHBondContact O-N 3.34Å; S106-Q108 VanDerWaalsContact O-N 3.09Å
109	S	64.6	Low	69.7	Low	44 Å²	44	61.7 Å²	61.7	31%	0.308	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	119.2	167.7	59.5	0	0	0	0	109	F98 V107	F98-S109 WeakPolarHBondContact O-CA 3.23Å; V107-S109 PolarHBondContact O-N 3.42Å; V107-S109 VanDerWaalsContact O-N 3.16Å
110	C	79.9	Confident	70.7	Confident	49 Å²	49	61.6 Å²	61.6	33%	0.331	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	126.2	170.1	-71.9	0	0	0	0	109	A97 F98 F112	A97-C110 WeakPolarHBondContact CA-O 3.22Å; F98-C110 PolarHBondContact N-O 3.02Å; F98-C110 PolarHBondContact O-N 2.99Å; F98-C110 VanDerWaalsContact O-N 3.09Å; C110-F112 HydrophobicContact CB-CE2 3.86Å; C110-F112 HydrophobicContact CB-CZ 4.39Å
111	E	88.4	Confident	72.1	Confident	105 Å²	105	64.8 Å²	64.8	49%	0.491	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131.5	-176.4	-65.5	-174.3	176.6	0	0	110.5	T95 L96 A97 R141	T95-E111 HydrophobicContact CG2-CB 3.86Å; T95-E111 HydrophobicContact CG2-CG 4.35Å; L96-E111 CarbonylContact O-C 3.57Å; L96-E111 WeakPolarHBondContact O-CA 3.35Å; A97-E111 HydrophobicContact CB-CG 4.24Å; E111-R141 IonicContact OE1-CZ 2.77Å; E111-R141 VanDerWaalsContact OE1-CZ 3.29Å; E111-R141 IonicContact OE1-NH1 3.71Å; E111-R141 IonicContact OE1-NH2 2.71Å; E111-R141 PolarHBondContact OE1-NH2 2.83Å
112	F	91	Very high	74.1	Confident	26 Å²	26	63.5 Å²	63.5	11%	0.114	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	116.2	-180	-61.8	-91.5	0	0	0	110	L96 F98 C110 P155 V158 E159 I162	L96-F112 PolarHBondContact N-O 3.44Å; L96-F112 PolarHBondContact O-N 2.88Å; F98-F112 AromaticContact CD2-CD2 3.65Å; F98-F112 HydrophobicContact CD2-CD2 3.65Å; F98-F112 AromaticContact CD2-CE2 3.84Å; F98-F112 HydrophobicContact CD2-CE2 3.84Å; F98-F112 AromaticContact CE2-CD2 3.73Å; F98-F112 HydrophobicContact CE2-CD2 3.73Å; F98-F112 HydrophobicContact CE2-CE2 4.16Å; C110-F112 HydrophobicContact CB-CE2 3.86Å; C110-F112 HydrophobicContact CB-CZ 4.39Å; F112-P155 HydrophobicContact CZ-CB 4.17Å; F112-V158 HydrophobicContact CD2-CG1 3.77Å; F112-V158 HydrophobicContact CE1-CG1 4.31Å; F112-V158 HydrophobicContact CE2-CB 4.02Å; F112-V158 HydrophobicContact CE2-CG1 3.47Å; F112-V158 VanDerWaalsContact CE2-CG1 3.47Å; F112-V158 HydrophobicContact CG-CG1 4.29Å; F112-V158 HydrophobicContact CZ-CB 3.94Å; F112-V158 HydrophobicContact CZ-CG1 3.77Å; F112-E159 HydrophobicContact CE1-CB 4.01Å; F112-I162 HydrophobicContact CB-CD1 3.58Å; F112-I162 HydrophobicContact CD1-CD1 4.12Å; F112-I162 HydrophobicContact CD2-CD1 4.4Å; F112-I162 HydrophobicContact CG-CD1 3.79Å
113	S	92.2	Very high	76.5	Confident	50 Å²	50	61.4 Å²	61.4	35%	0.35	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	139.3	175.7	-54.8	0	0	0	0	111	R86	R86-S113 WeakPolarHBondContact CG-O 3.49Å
114	A	93.9	Very high	78.7	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	175.9	-178.9	0	0	0	0	0	112.5	C92 D93 V94 L119	C92-A114 WeakPolarHBondContact CA-O 3.48Å; C92-A114 WeakPolarHBondContact CB-O 3.3Å; D93-A114 PolarHBondContact N-O 3.02Å; D93-A114 VanDerWaalsContact N-O 3.16Å; V94-A114 HydrophobicContact CG1-CB 4.15Å; V94-A114 WeakPolarHBondContact CG1-O 3.39Å; V94-A114 PolarHBondContact N-O 3.28Å; V94-A114 PolarHBondContact O-N 3.07Å; A114-L119 HydrophobicContact CB-CD1 3.82Å; A114-L119 HydrophobicContact CB-CD2 4.45Å; A114-L119 HydrophobicContact CB-CG 4.17Å
115	H	93.5	Very high	81	Confident	12 Å²	12	59.8 Å²	59.8	6%	0.056	37%	0.373	C	S	.	.			trans	-103.5	125.1	177.3	-53.5	120.3	0	0	0	110.3	Q82 L90 F91 D93 S117 V118 L119 Y166	Q82-H115 PolarHBondContact O-CE1 3.46Å; L90-H115 PolarHBondContact O-NE2 2.95Å; F91-H115 PolarHBondContact O-CD2 3.19Å; F91-H115 VanDerWaalsContact O-CD2 3.3Å; D93-H115 VanDerWaalsContact OD1-CA 3.23Å; D93-H115 WeakPolarHBondContact OD1-CA 3.24Å; H115-S117 VanDerWaalsContact C-N 3.25Å; H115-S117 PolarHBondContact O-N 2.87Å; H115-V118 HydrophobicContact CB-CB 4.24Å; H115-V118 HydrophobicContact CB-CG2 3.93Å; H115-V118 PolarHBondContact O-N 3.49Å; H115-L119 WeakPolarHBondContact O-CG 3.42Å; H115-L119 PolarHBondContact O-N 2.93Å; H115-L119 VanDerWaalsContact O-N 3.07Å; H115-Y166 PolarHBondContact N-OH 2.95Å; H115-Y166 AromaticContact ND1-CE1 3.4Å; H115-Y166 WeakPolarHBondContact ND1-CE1 3.47Å; H115-Y166 AromaticContact ND1-CZ 3.62Å; H115-Y166 PolarHBondContact ND1-OH 3.29Å
116	R	90.2	Very high	83.3	Confident	65 Å²	65	55.4 Å²	55.4	25%	0.245	33%	0.328	C	S	.	.	H	α-helix	trans	-58.6	-38.9	179.5	-63.3	171.8	94.3	168.5	7.2	111.7	D93 V94 V118 L119 A120 L130 S137	D93-R116 HydrophobicContact CB-CG 4.45Å; D93-R116 VanDerWaalsContact CG-CG 3.43Å; D93-R116 WeakPolarHBondContact OD1-CG 3.45Å; D93-R116 PolarHBondContact OD1-N 3.05Å; D93-R116 WeakPolarHBondContact OD2-CB 3.41Å; D93-R116 WeakPolarHBondContact OD2-CD 3.49Å; D93-R116 VanDerWaalsContact OD2-CG 3.24Å; D93-R116 WeakPolarHBondContact OD2-CG 3.48Å; V94-R116 HydrophobicContact CB-CG 3.73Å; V94-R116 HydrophobicContact CG1-CG 3.73Å; R116-V118 PolarHBondContact O-N 3.13Å; R116-L119 PolarHBondContact O-N 3.32Å; R116-A120 VanDerWaalsContact O-CB 3.26Å; R116-A120 WeakPolarHBondContact O-CB 3.45Å; R116-A120 PolarHBondContact O-N 3.32Å; R116-L130 HydrophobicContact CB-CD1 3.95Å; R116-L130 HydrophobicContact CG-CD1 3.97Å; R116-L130 HydrophobicContact CG-CD2 4.4Å; R116-L130 PolarHBondContact NH2-O 2.95Å; R116-S137 PolarHBondContact NH2-O 3.01Å; R116-S137 VanDerWaalsContact NH2-O 3.1Å
117	S	91.3	Very high	85.4	Confident	81 Å²	81	54.1 Å²	54.1	57%	0.566	32%	0.316	S	S	*	.	H	α-helix	trans	-61.7	-42.4	178.7	57.5	0	0	0	0	112.7	H115 A121	H115-S117 VanDerWaalsContact C-N 3.25Å; H115-S117 PolarHBondContact O-N 2.87Å; S117-A121 VanDerWaalsContact O-CB 3.23Å; S117-A121 WeakPolarHBondContact O-CB 3.36Å; S117-A121 PolarHBondContact O-N 2.92Å; S117-A121 VanDerWaalsContact O-N 3.08Å
118	V	93.5	Very high	87.1	Confident	14 Å²	14	52.7 Å²	52.7	9%	0.085	31%	0.309	C	S	.	.	H	α-helix	trans	-72.2	-44.9	179.8	-178.9	0	0	0	0	110.5	H115 R116 A120 A121 A122 Y166	H115-V118 HydrophobicContact CB-CB 4.24Å; H115-V118 HydrophobicContact CB-CG2 3.93Å; H115-V118 PolarHBondContact O-N 3.49Å; R116-V118 PolarHBondContact O-N 3.13Å; V118-A120 PolarHBondContact O-N 2.96Å; V118-A121 PolarHBondContact O-N 3.23Å; V118-A122 WeakPolarHBondContact O-CB 3.29Å; V118-A122 PolarHBondContact O-N 2.94Å; V118-Y166 HydrophobicContact CB-CE1 4.11Å; V118-Y166 HydrophobicContact CB-CE2 4.23Å; V118-Y166 HydrophobicContact CG1-CD1 3.85Å; V118-Y166 HydrophobicContact CG1-CD2 3.76Å; V118-Y166 HydrophobicContact CG1-CE1 3.89Å; V118-Y166 HydrophobicContact CG1-CE2 3.76Å; V118-Y166 HydrophobicContact CG1-CG 3.8Å; V118-Y166 HydrophobicContact CG2-CD1 4.4Å; V118-Y166 HydrophobicContact CG2-CE1 3.94Å
119	L	92	Very high	88.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.6	-43.4	179.2	-67.9	-176.3	0	0	0	112.5	V94 L96 A114 H115 R116 A121 A122 T123 F126 L130 M165	V94-L119 HydrophobicContact CG1-CD1 3.9Å; L96-L119 HydrophobicContact CD1-CD1 4.25Å; L96-L119 HydrophobicContact CD2-CD1 4.43Å; A114-L119 HydrophobicContact CB-CD1 3.82Å; A114-L119 HydrophobicContact CB-CD2 4.45Å; A114-L119 HydrophobicContact CB-CG 4.17Å; H115-L119 WeakPolarHBondContact O-CG 3.42Å; H115-L119 PolarHBondContact O-N 2.93Å; H115-L119 VanDerWaalsContact O-N 3.07Å; R116-L119 PolarHBondContact O-N 3.32Å; L119-A121 VanDerWaalsContact C-N 3.32Å; L119-A122 PolarHBondContact O-N 3.24Å; L119-T123 PolarHBondContact O-N 2.82Å; L119-F126 HydrophobicContact CB-CB 4.04Å; L119-F126 HydrophobicContact CB-CD2 3.73Å; L119-F126 HydrophobicContact CB-CE2 4.35Å; L119-F126 HydrophobicContact CB-CG 3.86Å; L119-F126 HydrophobicContact CD1-CD1 4.43Å; L119-F126 HydrophobicContact CD1-CE1 4.4Å; L119-F126 HydrophobicContact CD1-CZ 4.45Å; L119-F126 HydrophobicContact CD2-CD2 4.41Å; L119-F126 HydrophobicContact CD2-CE2 4.22Å; L119-F126 HydrophobicContact CG-CD2 4.45Å; L119-L130 HydrophobicContact CB-CD1 4.47Å; L119-M165 HydrophobicContact CD2-SD 3.48Å; L119-M165 WeakPolarHBondContact CD2-SD 3.37Å
120	A	90.9	Very high	89	Confident	31 Å²	31	44.6 Å²	44.6	26%	0.256	27%	0.267	S	S	.	.	H	α-helix	trans	-68.9	-30	176.2	0	0	0	0	0	112.7	R116 V118 T127	R116-A120 VanDerWaalsContact O-CB 3.26Å; R116-A120 WeakPolarHBondContact O-CB 3.45Å; R116-A120 PolarHBondContact O-N 3.32Å; V118-A120 PolarHBondContact O-N 2.96Å; A120-T127 PolarHBondContact O-OG1 2.71Å
121	A	91.6	Very high	88.6	Confident	87 Å²	87	45.4 Å²	45.4	72%	0.719	28%	0.284	S	S	*	.	H	α-helix	trans	-75.1	-31.3	174	0	0	0	0	0	112.8	S117 V118 L119	S117-A121 VanDerWaalsContact O-CB 3.23Å; S117-A121 WeakPolarHBondContact O-CB 3.36Å; S117-A121 PolarHBondContact O-N 2.92Å; S117-A121 VanDerWaalsContact O-N 3.08Å; V118-A121 PolarHBondContact O-N 3.23Å; L119-A121 VanDerWaalsContact C-N 3.32Å
122	A	91.3	Very high	87.4	Confident	39 Å²	39	42.8 Å²	42.8	32%	0.322	29%	0.285	S	S	.	.	H	α-helix	trans	-76.9	-32.5	-179.4	0	0	0	0	0	113	V118 L119 M165	V118-A122 WeakPolarHBondContact O-CB 3.29Å; V118-A122 PolarHBondContact O-N 2.94Å; L119-A122 PolarHBondContact O-N 3.24Å; A122-M165 HydrophobicContact CB-CB 3.71Å; A122-M165 HydrophobicContact CB-CG 4.03Å
123	T	92.8	Very high	86	Confident	10 Å²	10	50 Å²	50	6%	0.061	32%	0.319	C	S	.	.			trans	-154.5	143.9	179.6	173.7	0	0	0	0	113	L119 Y125 F126 F187 L189	L119-T123 PolarHBondContact O-N 2.82Å; T123-Y125 PolarHBondContact O-N 3.05Å; T123-Y125 VanDerWaalsContact O-N 3.14Å; T123-Y125 PolarHBondContact OG1-N 2.77Å; T123-Y125 VanDerWaalsContact OG1-N 3.12Å; T123-F126 HydrophobicContact CG2-CD2 3.43Å; T123-F126 VanDerWaalsContact CG2-CD2 3.43Å; T123-F126 HydrophobicContact CG2-CE2 3.92Å; T123-F126 HydrophobicContact CG2-CG 4.46Å; T123-F126 PolarHBondContact O-N 2.79Å; T123-F187 VanDerWaalsContact CB-O 3.3Å; T123-F187 WeakPolarHBondContact CB-O 3.35Å; T123-F187 WeakPolarHBondContact CG2-O 3.33Å; T123-F187 PolarHBondContact OG1-O 3.37Å; T123-L189 HydrophobicContact CG2-CD2 4.4Å
124	D	87.4	Confident	85	Confident	133 Å²	133	52.5 Å²	52.5	71%	0.711	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-13.8	173.5	-67.2	-35.7	0	0	0	113.4	F126 P128	D124-F126 VanDerWaalsContact C-N 3.34Å; D124-F126 PolarHBondContact O-N 3.05Å; D124-P128 WeakPolarHBondContact O-CD 3.34Å
125	Y	89.4	Confident	83.6	Confident	55 Å²	55	56.5 Å²	56.5	22%	0.216	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-42.2	175.4	177.4	-95	0	0	0	112.2	T123 P128 L129 M144 R186 F187	T123-Y125 PolarHBondContact O-N 3.05Å; T123-Y125 VanDerWaalsContact O-N 3.14Å; T123-Y125 PolarHBondContact OG1-N 2.77Å; T123-Y125 VanDerWaalsContact OG1-N 3.12Å; Y125-P128 WeakPolarHBondContact O-CD 3.23Å; Y125-L129 HydrophobicContact CE1-CD2 4.09Å; Y125-M144 HydrophobicContact CE1-CE 4.22Å; Y125-R186 WeakPolarHBondContact CD2-O 3.45Å; Y125-F187 AromaticContact CD1-CD1 3.85Å; Y125-F187 HydrophobicContact CD1-CD1 3.85Å; Y125-F187 HydrophobicContact CD1-CE1 4.5Å; Y125-F187 AromaticContact CE1-CD1 3.82Å; Y125-F187 HydrophobicContact CE1-CD1 3.82Å; Y125-F187 HydrophobicContact CE1-CE1 4.07Å; Y125-F187 HydrophobicContact CG-CD1 4.45Å
126	F	88.8	Confident	82.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-85.1	-20.1	-174.4	-73.3	-66.4	0	0	0	113.4	L96 L119 T123 D124 L129 L130 M144 M165 F187	L96-F126 HydrophobicContact CD1-CZ 4.41Å; L96-F126 HydrophobicContact CD2-CE1 4.02Å; L96-F126 HydrophobicContact CD2-CZ 4.44Å; L119-F126 HydrophobicContact CB-CB 4.04Å; L119-F126 HydrophobicContact CB-CD2 3.73Å; L119-F126 HydrophobicContact CB-CE2 4.35Å; L119-F126 HydrophobicContact CB-CG 3.86Å; L119-F126 HydrophobicContact CD1-CD1 4.43Å; L119-F126 HydrophobicContact CD1-CE1 4.4Å; L119-F126 HydrophobicContact CD1-CZ 4.45Å; L119-F126 HydrophobicContact CD2-CD2 4.41Å; L119-F126 HydrophobicContact CD2-CE2 4.22Å; L119-F126 HydrophobicContact CG-CD2 4.45Å; T123-F126 HydrophobicContact CG2-CD2 3.43Å; T123-F126 VanDerWaalsContact CG2-CD2 3.43Å; T123-F126 HydrophobicContact CG2-CE2 3.92Å; T123-F126 HydrophobicContact CG2-CG 4.46Å; T123-F126 PolarHBondContact O-N 2.79Å; D124-F126 VanDerWaalsContact C-N 3.34Å; D124-F126 PolarHBondContact O-N 3.05Å; F126-L129 HydrophobicContact CD1-CD2 3.96Å; F126-L129 HydrophobicContact CE1-CD2 4.21Å; F126-L129 PolarHBondContact O-N 2.77Å; F126-L130 HydrophobicContact CB-CD1 3.85Å; F126-L130 HydrophobicContact CB-CG 4.42Å; F126-L130 HydrophobicContact CD1-CD1 4.19Å; F126-L130 HydrophobicContact CG-CD1 4.36Å; F126-L130 VanDerWaalsContact O-CB 3.27Å; F126-L130 WeakPolarHBondContact O-CB 3.4Å; F126-L130 VanDerWaalsContact O-CG 3.32Å; F126-L130 WeakPolarHBondContact O-CG 3.45Å; F126-L130 PolarHBondContact O-N 2.7Å; F126-M144 HydrophobicContact CE1-CE 3.9Å; F126-M144 HydrophobicContact CZ-CE 4.22Å; F126-M165 HydrophobicContact CE2-CE 3.94Å; F126-M165 HydrophobicContact CE2-SD 4.05Å; F126-F187 HydrophobicContact CE2-CD1 4.15Å; F126-F187 HydrophobicContact CE2-CG 4.38Å; F126-F187 AromaticContact CZ-CD1 3.89Å; F126-F187 HydrophobicContact CZ-CD1 3.89Å; F126-F187 AromaticContact CZ-CE1 3.85Å; F126-F187 HydrophobicContact CZ-CE1 3.85Å; F126-F187 HydrophobicContact CZ-CG 4.48Å; F126-F187 HydrophobicContact CZ-CZ 4.37Å
127	T	86.4	Confident	81.6	Confident	67 Å²	67	56.3 Å²	56.3	41%	0.411	36%	0.356	S	S	.	.	H	α-helix	trans	-55.6	-54.8	177.9	-58.7	0	0	0	0	113.4	A120 G131	A120-T127 PolarHBondContact O-OG1 2.71Å; T127-G131 WeakPolarHBondContact O-CA 3.45Å; T127-G131 PolarHBondContact O-N 3.48Å
128	P	84.5	Confident	80.5	Confident	74 Å²	74	60 Å²	60	48%	0.481	37%	0.368	S	S	.	.	H	α-helix	trans	-72.3	-34.6	177.9	28.8	-33.9	0	0	0	112.4	D124 Y125 L130 F134	D124-P128 WeakPolarHBondContact O-CD 3.34Å; Y125-P128 WeakPolarHBondContact O-CD 3.23Å; P128-L130 VanDerWaalsContact C-N 3.34Å; P128-L130 PolarHBondContact O-N 3.24Å; P128-F134 WeakPolarHBondContact O-CD2 3.35Å
129	L	82.4	Confident	79.6	Confident	22 Å²	22	62.9 Å²	62.9	12%	0.115	39%	0.389	C	S	.	.	H	α-helix	trans	-64.4	-40.8	-177.9	-172.9	66.6	0	0	0	111.7	Y125 F126 E136 V142	Y125-L129 HydrophobicContact CE1-CD2 4.09Å; F126-L129 HydrophobicContact CD1-CD2 3.96Å; F126-L129 HydrophobicContact CE1-CD2 4.21Å; F126-L129 PolarHBondContact O-N 2.77Å; L129-E136 HydrophobicContact CD1-CB 4.17Å; L129-E136 HydrophobicContact CD1-CG 4.18Å; L129-V142 HydrophobicContact CD2-CG1 3.76Å; L129-V142 HydrophobicContact CD2-CG2 4.17Å
130	L	78.1	Confident	78.9	Confident	16 Å²	16	64.1 Å²	64.1	8%	0.084	40%	0.401	C	S	.	.	H	α-helix	trans	-96.8	-13.7	-175.9	-57.6	174.3	0	0	0	112.7	V94 R116 L119 F126 P128 G132 V142	V94-L130 HydrophobicContact CG2-CD2 4Å; R116-L130 HydrophobicContact CB-CD1 3.95Å; R116-L130 HydrophobicContact CG-CD1 3.97Å; R116-L130 HydrophobicContact CG-CD2 4.4Å; R116-L130 PolarHBondContact NH2-O 2.95Å; L119-L130 HydrophobicContact CB-CD1 4.47Å; F126-L130 HydrophobicContact CB-CD1 3.85Å; F126-L130 HydrophobicContact CB-CG 4.42Å; F126-L130 HydrophobicContact CD1-CD1 4.19Å; F126-L130 HydrophobicContact CG-CD1 4.36Å; F126-L130 VanDerWaalsContact O-CB 3.27Å; F126-L130 WeakPolarHBondContact O-CB 3.4Å; F126-L130 VanDerWaalsContact O-CG 3.32Å; F126-L130 WeakPolarHBondContact O-CG 3.45Å; F126-L130 PolarHBondContact O-N 2.7Å; P128-L130 VanDerWaalsContact C-N 3.34Å; P128-L130 PolarHBondContact O-N 3.24Å; L130-G132 PolarHBondContact O-N 3.06Å; L130-V142 HydrophobicContact CD2-CG2 4.25Å
131	G	70.8	Confident	78.6	Confident	67 Å²	67	67.2 Å²	67.2	69%	0.691	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-3.8	-173.6	0	0	0	0	0	117.4	T127	T127-G131 WeakPolarHBondContact O-CA 3.45Å; T127-G131 PolarHBondContact O-N 3.48Å
132	G	64.3	Low	78.3	Confident	49 Å²	49	63.2 Å²	63.2	51%	0.505	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	118	11.1	163.4	0	0	0	0	0	118.4	L130 S137	L130-G132 PolarHBondContact O-N 3.06Å; G132-S137 WeakPolarHBondContact CA-OG 3.45Å
133	Q	61.7	Low	78	Confident	178 Å²	178	65.9 Å²	65.9	83%	0.832	38%	0.379	S	S	*	.	S	Bend	trans	-109.6	1.1	-179.8	-65.6	-174.4	2.8	0	0	114.8
134	F	69.8	Low	77.6	Confident	103 Å²	103	65.8 Å²	65.8	45%	0.452	38%	0.378	S	S	.	.	S	Bend	trans	-125	155.3	-176.3	-62.9	-79.4	0	0	0	111.9	P128 E136 S137	P128-F134 WeakPolarHBondContact O-CD2 3.35Å; F134-E136 WeakPolarHBondContact CB-OE2 3.3Å; F134-E136 PolarHBondContact O-N 3.36Å; F134-E136 VanDerWaalsContact O-N 3.11Å; F134-S137 WeakPolarHBondContact O-CB 2.97Å; F134-S137 PolarHBondContact O-N 2.78Å; F134-S137 PolarHBondContact O-OG 2.94Å
135	S	65.9	Low	77.3	Confident	84 Å²	84	64.8 Å²	64.8	59%	0.587	37%	0.367	S	S	*	.	H	α-helix	trans	-52.5	-32.7	178.6	30.4	0	0	0	0	113.6	S137 L138 S139	S135-S137 VanDerWaalsContact C-N 3.28Å; S135-S137 PolarHBondContact O-N 3.11Å; S135-L138 PolarHBondContact O-N 2.84Å; S135-S139 PolarHBondContact O-N 3.4Å; S135-S139 PolarHBondContact O-OG 2.83Å
136	E	72.8	Confident	76.5	Confident	57 Å²	57	71.2 Å²	71.2	27%	0.266	40%	0.399	S	S	.	.	H	α-helix	trans	-65	-31.8	-179.3	-69.5	83.8	164.4	0	0	111.9	L129 F134 L138 S139 G140 V142	L129-E136 HydrophobicContact CD1-CB 4.17Å; L129-E136 HydrophobicContact CD1-CG 4.18Å; F134-E136 WeakPolarHBondContact CB-OE2 3.3Å; F134-E136 PolarHBondContact O-N 3.36Å; F134-E136 VanDerWaalsContact O-N 3.11Å; E136-L138 VanDerWaalsContact C-N 3.26Å; E136-L138 PolarHBondContact O-N 2.85Å; E136-S139 WeakPolarHBondContact CA-OG 3.41Å; E136-S139 PolarHBondContact O-OG 3.09Å; E136-G140 PolarHBondContact O-N 3.28Å; E136-V142 HydrophobicContact CB-CG2 4.27Å; E136-V142 HydrophobicContact CG-CG1 4.5Å
137	S	68.8	Low	76.2	Confident	15 Å²	15	72.9 Å²	72.9	11%	0.105	41%	0.406	C	S	.	.	H	α-helix	trans	-70.9	-24	178.4	71.9	0	0	0	0	113	R116 G132 F134 S135	R116-S137 PolarHBondContact NH2-O 3.01Å; R116-S137 VanDerWaalsContact NH2-O 3.1Å; G132-S137 WeakPolarHBondContact CA-OG 3.45Å; F134-S137 WeakPolarHBondContact O-CB 2.97Å; F134-S137 PolarHBondContact O-N 2.78Å; F134-S137 PolarHBondContact O-OG 2.94Å; S135-S137 VanDerWaalsContact C-N 3.28Å; S135-S137 PolarHBondContact O-N 3.11Å
138	L	67.8	Low	75.7	Confident	160 Å²	160	73.6 Å²	73.6	84%	0.838	41%	0.413	S	S	*	.	H	α-helix	trans	-95.4	-32	179.5	-66.6	167.8	0	0	0	112.5	S135 E136	S135-L138 PolarHBondContact O-N 2.84Å; E136-L138 VanDerWaalsContact C-N 3.26Å; E136-L138 PolarHBondContact O-N 2.85Å
139	S	74.6	Confident	75.4	Confident	74 Å²	74	72.4 Å²	72.4	52%	0.517	41%	0.407	S	S	.	.	H	α-helix	trans	-80.4	-20.4	-178.3	65.1	0	0	0	0	113.6	S135 E136 R141	S135-S139 PolarHBondContact O-N 3.4Å; S135-S139 PolarHBondContact O-OG 2.83Å; E136-S139 WeakPolarHBondContact CA-OG 3.41Å; E136-S139 PolarHBondContact O-OG 3.09Å; S139-R141 PolarHBondContact O-N 3.27Å; S139-R141 VanDerWaalsContact O-N 3.12Å; S139-R141 PolarHBondContact OG-N 3.07Å; S139-R141 PolarHBondContact OG-O 2.94Å
140	G	76.8	Confident	74.8	Confident	25 Å²	25	77.3 Å²	77.3	26%	0.258	43%	0.429	S	S	.	.	S	Bend	trans	65.7	7	-172.1	0	0	0	0	0	113.6	V94 T95 E136	V94-G140 WeakPolarHBondContact CA-O 3.27Å; T95-G140 PolarHBondContact N-O 2.89Å; E136-G140 PolarHBondContact O-N 3.28Å
141	R	84.6	Confident	74.3	Confident	96 Å²	96	83.2 Å²	83.2	36%	0.362	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	124.1	-177.1	-176.5	-176.9	-179.6	157.5	12.3	109.7	T95 E111 S139	T95-R141 WeakPolarHBondContact O-CA 3.49Å; E111-R141 IonicContact OE1-CZ 2.77Å; E111-R141 VanDerWaalsContact OE1-CZ 3.29Å; E111-R141 IonicContact OE1-NH1 3.71Å; E111-R141 IonicContact OE1-NH2 2.71Å; E111-R141 PolarHBondContact OE1-NH2 2.83Å; S139-R141 PolarHBondContact O-N 3.27Å; S139-R141 VanDerWaalsContact O-N 3.12Å; S139-R141 PolarHBondContact OG-N 3.07Å; S139-R141 PolarHBondContact OG-O 2.94Å
142	V	85.7	Confident	74.7	Confident	4 Å²	4	80.4 Å²	80.4	2%	0.024	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	116.5	177.3	-174.8	0	0	0	0	108.8	V94 T95 L96 A97 L129 L130 E136 M144	V94-V142 HydrophobicContact CG2-CG2 3.95Å; T95-V142 PolarHBondContact O-N 3.19Å; L96-V142 HydrophobicContact CD2-CB 3.96Å; L96-V142 HydrophobicContact CD2-CG2 4.23Å; A97-V142 PolarHBondContact N-O 3.02Å; L129-V142 HydrophobicContact CD2-CG1 3.76Å; L129-V142 HydrophobicContact CD2-CG2 4.17Å; L130-V142 HydrophobicContact CD2-CG2 4.25Å; E136-V142 HydrophobicContact CB-CG2 4.27Å; E136-V142 HydrophobicContact CG-CG1 4.5Å; V142-M144 HydrophobicContact CB-CE 4.35Å; V142-M144 HydrophobicContact CG1-CE 3.46Å; V142-M144 VanDerWaalsContact CG1-CE 3.46Å; V142-M144 HydrophobicContact CG1-SD 4.02Å
143	E	84.6	Confident	75.6	Confident	94 Å²	94	78.7 Å²	78.7	44%	0.439	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	117.6	174.9	-67.8	-174.2	169	0	0	110.6	A97 K145	A97-E143 HydrophobicContact CB-CG 4.48Å; E143-K145 WeakPolarHBondContact OE2-CE 3.27Å; E143-K145 IonicContact OE2-NZ 3.34Å; E143-K145 PolarHBondContact OE2-NZ 3.16Å
144	M	84.8	Confident	76.8	Confident	8 Å²	8	73.5 Å²	73.5	4%	0.039	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	111.3	175.2	-56.3	-64.8	-177.9	0	0	109.8	L96 A97 F98 Y125 F126 V142 W147 F187	L96-M144 HydrophobicContact CD2-CE 4.02Å; A97-M144 PolarHBondContact O-N 3.42Å; F98-M144 HydrophobicContact CD1-CB 4.2Å; F98-M144 HydrophobicContact CE1-CB 4.34Å; F98-M144 HydrophobicContact CE1-CG 4.3Å; F98-M144 HydrophobicContact CZ-CG 4.44Å; Y125-M144 HydrophobicContact CE1-CE 4.22Å; F126-M144 HydrophobicContact CE1-CE 3.9Å; F126-M144 HydrophobicContact CZ-CE 4.22Å; V142-M144 HydrophobicContact CB-CE 4.35Å; V142-M144 HydrophobicContact CG1-CE 3.46Å; V142-M144 VanDerWaalsContact CG1-CE 3.46Å; V142-M144 HydrophobicContact CG1-SD 4.02Å; M144-W147 HydrophobicContact CB-CZ2 3.59Å; M144-W147 HydrophobicContact CG-CZ2 4.36Å; M144-W147 PolarHBondContact O-NE1 3.11Å; M144-F187 HydrophobicContact CE-CE1 3.77Å; M144-F187 HydrophobicContact CE-CZ 4.26Å; M144-F187 HydrophobicContact SD-CE1 4.25Å
145	K	80.1	Confident	77.7	Confident	113 Å²	113	71.2 Å²	71.2	49%	0.491	39%	0.385	S	S	.	.			trans	-113.2	161	-176.6	-63.7	176.8	-178.5	166.2	0	110.8	E143	E143-K145 WeakPolarHBondContact OE2-CE 3.27Å; E143-K145 IonicContact OE2-NZ 3.34Å; E143-K145 PolarHBondContact OE2-NZ 3.16Å
146	E	73.9	Confident	78.9	Confident	190 Å²	190	74.5 Å²	74.5	89%	0.888	39%	0.39	S	S	*	.			trans	62.9	80.3	173.3	-58.2	-179.2	168.4	0	0	113.5
147	W	80.6	Confident	79.8	Confident	35 Å²	35	72.1 Å²	72.1	13%	0.133	38%	0.38	C	S	.	.			trans	-103.4	161.9	173.3	-60.3	99.4	0	0	0	110.7	F98 M144 S149 P153 E182 L183	F98-W147 AromaticContact CD1-CE2 3.88Å; F98-W147 HydrophobicContact CD1-CH2 4.25Å; F98-W147 AromaticContact CD1-CZ2 3.4Å; F98-W147 HydrophobicContact CD1-CZ2 3.4Å; F98-W147 AromaticContact CE1-CH2 3.85Å; F98-W147 HydrophobicContact CE1-CH2 3.85Å; F98-W147 AromaticContact CE1-CZ2 3.4Å; F98-W147 HydrophobicContact CE1-CZ2 3.4Å; F98-W147 VanDerWaalsContact CE1-CZ2 3.4Å; M144-W147 HydrophobicContact CB-CZ2 3.59Å; M144-W147 HydrophobicContact CG-CZ2 4.36Å; M144-W147 PolarHBondContact O-NE1 3.11Å; W147-S149 PolarHBondContact O-N 3.4Å; W147-P153 HydrophobicContact CD2-CG 4.12Å; W147-P153 HydrophobicContact CE3-CG 4.25Å; W147-P153 HydrophobicContact CZ2-CG 4.42Å; W147-P153 HydrophobicContact CZ3-CG 4.49Å; W147-E182 HydrophobicContact CE3-CG 4.1Å; W147-E182 HydrophobicContact CZ3-CG 4.23Å; W147-L183 HydrophobicContact CH2-CD2 3.41Å; W147-L183 VanDerWaalsContact CH2-CD2 3.41Å; W147-L183 HydrophobicContact CZ2-CD2 4.35Å; W147-L183 HydrophobicContact CZ3-CD2 3.6Å; W147-L183 HydrophobicContact CZ3-CG 4.4Å
148	S	76.4	Confident	80.9	Confident	82 Å²	82	71.5 Å²	71.5	57%	0.573	38%	0.375	S	S	*	.	S	Bend	trans	-57.3	-32	175.3	69.3	0	0	0	0	112.9	E182	S148-E182 WeakPolarHBondContact CB-OE1 3.41Å; S148-E182 WeakPolarHBondContact CB-OE2 3.49Å; S148-E182 PolarHBondContact N-OE1 3.49Å; S148-E182 PolarHBondContact OG-OE1 2.84Å; S148-E182 PolarHBondContact OG-OE2 3.48Å
149	S	77.7	Confident	82.1	Confident	49 Å²	49	66.2 Å²	66.2	34%	0.343	35%	0.346	S	S	.	.	S	Bend	trans	-98.6	135	173.4	175.8	0	0	0	0	111.5	W147 L151 G152	W147-S149 PolarHBondContact O-N 3.4Å; S149-L151 PolarHBondContact O-N 3.42Å; S149-L151 VanDerWaalsContact O-N 3.16Å; S149-L151 PolarHBondContact OG-N 2.79Å; S149-G152 PolarHBondContact O-N 2.95Å
150	E	69.8	Low	83.1	Confident	125 Å²	125	64.7 Å²	64.7	58%	0.584	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.8	173.3	-65.9	-174.4	179	0	0	112.5	S100 G101 G152	S100-E150 WeakPolarHBondContact CA-O 3.23Å; S100-E150 PolarHBondContact OG-O 3.25Å; G101-E150 PolarHBondContact N-O 3.16Å; G101-E150 VanDerWaalsContact N-O 3.08Å; E150-G152 VanDerWaalsContact C-N 3.33Å
151	L	69.1	Low	83.9	Confident	140 Å²	140	63.6 Å²	63.6	73%	0.733	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-8.5	177.5	-65.7	170.7	0	0	0	113.2	S100 S149	S100-L151 WeakPolarHBondContact OG-CA 3.43Å; S149-L151 PolarHBondContact O-N 3.42Å; S149-L151 VanDerWaalsContact O-N 3.16Å; S149-L151 PolarHBondContact OG-N 2.79Å
152	G	78.3	Confident	84.4	Confident	8 Å²	8	59.1 Å²	59.1	8%	0.082	31%	0.307	C	S	.	.			trans	73.9	176.8	-167.2	0	0	0	0	0	112.5	S149 E150	S149-G152 PolarHBondContact O-N 2.95Å; E150-G152 VanDerWaalsContact C-N 3.33Å
153	P	83.4	Confident	84.8	Confident	12 Å²	12	61.5 Å²	61.5	8%	0.078	32%	0.318	C	S	.	.	S	Bend	trans	-69.1	152.1	175.2	27.6	-33.7	0	0	0	111.6	F98 W147 V158 E179 L183	F98-P153 HydrophobicContact CD1-CG 4.02Å; F98-P153 HydrophobicContact CE1-CG 4.42Å; W147-P153 HydrophobicContact CD2-CG 4.12Å; W147-P153 HydrophobicContact CE3-CG 4.25Å; W147-P153 HydrophobicContact CZ2-CG 4.42Å; W147-P153 HydrophobicContact CZ3-CG 4.49Å; P153-V158 HydrophobicContact CB-CG2 3.94Å; P153-V158 HydrophobicContact CG-CG2 3.61Å; P153-E179 HydrophobicContact CB-CB 4.45Å; P153-E179 HydrophobicContact CB-CG 4.34Å; P153-L183 HydrophobicContact CB-CD1 4.45Å; P153-L183 HydrophobicContact CG-CD2 4.34Å
154	D	87.5	Confident	85.4	Confident	69 Å²	69	58.7 Å²	58.7	37%	0.369	30%	0.304	S	S	.	.			trans	-60.4	135.3	179	-176.4	76	0	0	0	111.7	E156 T157 V158 E179	D154-E156 VanDerWaalsContact C-N 3.25Å; D154-E156 PolarHBondContact O-N 3.42Å; D154-E156 VanDerWaalsContact OD2-CB 3.24Å; D154-E156 WeakPolarHBondContact OD2-CB 3.35Å; D154-E156 PolarHBondContact OD2-N 3.27Å; D154-T157 WeakPolarHBondContact O-CB 3.44Å; D154-T157 PolarHBondContact O-N 3.17Å; D154-V158 PolarHBondContact O-N 3.05Å; D154-E179 VanDerWaalsContact CB-OE2 3.27Å; D154-E179 WeakPolarHBondContact CB-OE2 2.99Å; D154-E179 PolarHBondContact N-OE1 3.34Å; D154-E179 PolarHBondContact N-OE2 3.2Å; D154-E179 VanDerWaalsContact N-OE2 3.09Å
155	P	88.9	Confident	85.8	Confident	56 Å²	56	59 Å²	59	36%	0.364	31%	0.306	S	S	.	.	H	α-helix	trans	-58.1	-32.3	-178.1	-27.2	36.1	0	0	0	114.4	F112 V158 E159	F112-P155 HydrophobicContact CZ-CB 4.17Å; P155-V158 PolarHBondContact O-N 3.3Å; P155-E159 WeakPolarHBondContact O-CB 3.4Å; P155-E159 PolarHBondContact O-N 3.33Å
156	E	90.6	Very high	86.5	Confident	152 Å²	152	54.2 Å²	54.2	71%	0.71	28%	0.284	S	S	*	.	H	α-helix	trans	-70.8	-36.1	177.4	-57	-172.4	170.8	0	0	111.3	D154 S160	D154-E156 VanDerWaalsContact C-N 3.25Å; D154-E156 PolarHBondContact O-N 3.42Å; D154-E156 VanDerWaalsContact OD2-CB 3.24Å; D154-E156 WeakPolarHBondContact OD2-CB 3.35Å; D154-E156 PolarHBondContact OD2-N 3.27Å; E156-S160 WeakPolarHBondContact O-CB 3.45Å; E156-S160 PolarHBondContact O-N 3.18Å; E156-S160 PolarHBondContact O-OG 2.66Å
157	T	92.3	Very high	87.5	Confident	7 Å²	7	47 Å²	47	4%	0.043	25%	0.253	C	S	.	.	H	α-helix	trans	-65.6	-45.1	174.3	-55.6	0	0	0	0	110.9	D154 S160 V161 N176 E179 V180 L183	D154-T157 WeakPolarHBondContact O-CB 3.44Å; D154-T157 PolarHBondContact O-N 3.17Å; T157-S160 WeakPolarHBondContact O-CB 3.38Å; T157-S160 PolarHBondContact O-N 2.88Å; T157-V161 WeakPolarHBondContact O-CG2 3.3Å; T157-V161 PolarHBondContact O-N 2.89Å; T157-N176 HydrophobicContact CG2-CB 4.43Å; T157-E179 VanDerWaalsContact CB-OE2 3.25Å; T157-E179 WeakPolarHBondContact CB-OE2 3.4Å; T157-E179 HydrophobicContact CG2-CB 3.76Å; T157-E179 PolarHBondContact OG1-OE2 2.91Å; T157-V180 HydrophobicContact CG2-CB 4.48Å; T157-V180 HydrophobicContact CG2-CG2 3.51Å; T157-L183 HydrophobicContact CG2-CD1 4.15Å
158	V	92	Very high	88.1	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-60.3	-48.4	177.4	174.8	0	0	0	0	111.1	F98 F112 P153 D154 P155 S160 V161 I162 L183	F98-V158 HydrophobicContact CD1-CG2 4.19Å; F98-V158 HydrophobicContact CD2-CG1 3.97Å; F98-V158 HydrophobicContact CE1-CG1 4Å; F98-V158 HydrophobicContact CE1-CG2 4.06Å; F98-V158 HydrophobicContact CE2-CG1 3.39Å; F98-V158 HydrophobicContact CZ-CG1 3.4Å; F98-V158 VanDerWaalsContact CZ-CG1 3.4Å; F98-V158 HydrophobicContact CZ-CG2 4.32Å; F112-V158 HydrophobicContact CD2-CG1 3.77Å; F112-V158 HydrophobicContact CE1-CG1 4.31Å; F112-V158 HydrophobicContact CE2-CB 4.02Å; F112-V158 HydrophobicContact CE2-CG1 3.47Å; F112-V158 VanDerWaalsContact CE2-CG1 3.47Å; F112-V158 HydrophobicContact CG-CG1 4.29Å; F112-V158 HydrophobicContact CZ-CB 3.94Å; F112-V158 HydrophobicContact CZ-CG1 3.77Å; P153-V158 HydrophobicContact CB-CG2 3.94Å; P153-V158 HydrophobicContact CG-CG2 3.61Å; D154-V158 PolarHBondContact O-N 3.05Å; P155-V158 PolarHBondContact O-N 3.3Å; V158-S160 PolarHBondContact O-N 3.44Å; V158-V161 PolarHBondContact O-N 2.96Å; V158-I162 HydrophobicContact CG1-CD1 3.84Å; V158-I162 HydrophobicContact CG1-CG1 4.43Å; V158-I162 WeakPolarHBondContact O-CG1 3.33Å; V158-I162 PolarHBondContact O-N 3.22Å; V158-L183 HydrophobicContact CG2-CD1 4.11Å
159	E	92.9	Very high	88.8	Confident	49 Å²	49	50.6 Å²	50.6	23%	0.229	28%	0.276	C	S	.	.	H	α-helix	trans	-58.4	-39.1	176.2	176.8	59.4	-162.3	0	0	111.6	R86 F112 P155 I162 Q163	R86-E159 IonicContact CZ-OE1 2.79Å; R86-E159 VanDerWaalsContact CZ-OE1 3.31Å; R86-E159 IonicContact CZ-OE2 3.81Å; R86-E159 VanDerWaalsContact NH1-CD 3.31Å; R86-E159 IonicContact NH1-OE1 3.99Å; R86-E159 PolarHBondContact NH1-OE1 3.49Å; R86-E159 VanDerWaalsContact NH1-OE1 3.09Å; R86-E159 IonicContact NH1-OE2 3.07Å; R86-E159 PolarHBondContact NH1-OE2 3.12Å; R86-E159 IonicContact NH2-OE1 3.78Å; R86-E159 PolarHBondContact NH2-OE1 3.01Å; R86-E159 IonicContact NH2-OE2 2.63Å; F112-E159 HydrophobicContact CE1-CB 4.01Å; P155-E159 WeakPolarHBondContact O-CB 3.4Å; P155-E159 PolarHBondContact O-N 3.33Å; E159-I162 PolarHBondContact O-N 3.47Å; E159-Q163 VanDerWaalsContact O-CB 3.28Å; E159-Q163 WeakPolarHBondContact O-CB 3.38Å; E159-Q163 PolarHBondContact O-N 3.38Å
160	S	94.1	Very high	89.7	Confident	43 Å²	43	50.2 Å²	50.2	30%	0.301	27%	0.27	S	S	.	.	H	α-helix	trans	-66.3	-39.4	177.8	-62.1	0	0	0	0	112.6	E156 T157 V158 Q163 Y164	E156-S160 WeakPolarHBondContact O-CB 3.45Å; E156-S160 PolarHBondContact O-N 3.18Å; E156-S160 PolarHBondContact O-OG 2.66Å; T157-S160 WeakPolarHBondContact O-CB 3.38Å; T157-S160 PolarHBondContact O-N 2.88Å; V158-S160 PolarHBondContact O-N 3.44Å; S160-Q163 PolarHBondContact O-N 3.06Å; S160-Y164 PolarHBondContact O-N 3.43Å
161	V	95.3	Very high	90.8	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-73	-37.2	176.8	175.5	0	0	0	0	111.5	T157 V158 Y164 M165 I170 V180 L183 F187 L189 L192	T157-V161 WeakPolarHBondContact O-CG2 3.3Å; T157-V161 PolarHBondContact O-N 2.89Å; V158-V161 PolarHBondContact O-N 2.96Å; V161-Y164 WeakPolarHBondContact O-CB 3.1Å; V161-Y164 PolarHBondContact O-N 3.26Å; V161-M165 HydrophobicContact CG1-CE 4.34Å; V161-M165 PolarHBondContact O-N 3.44Å; V161-M165 VanDerWaalsContact O-N 3.16Å; V161-I170 HydrophobicContact CG2-CD1 3.94Å; V161-V180 HydrophobicContact CG2-CG1 4.25Å; V161-V180 HydrophobicContact CG2-CG2 4.39Å; V161-L183 HydrophobicContact CB-CB 4.49Å; V161-L183 HydrophobicContact CB-CD1 4.15Å; V161-L183 HydrophobicContact CG1-CB 4.1Å; V161-L183 HydrophobicContact CG2-CB 4.15Å; V161-L183 HydrophobicContact CG2-CD1 3.77Å; V161-F187 HydrophobicContact CG1-CD2 4.43Å; V161-L189 HydrophobicContact CG1-CD1 3.83Å; V161-L192 HydrophobicContact CG1-CD2 4.49Å
162	I	94	Very high	92	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-65	-43.7	172.5	-65.5	171.3	0	0	0	109.7	L96 F112 V158 E159 Y164 M165 Y166	L96-I162 HydrophobicContact CD1-CD1 4.08Å; L96-I162 HydrophobicContact CD1-CG1 4.47Å; F112-I162 HydrophobicContact CB-CD1 3.58Å; F112-I162 HydrophobicContact CD1-CD1 4.12Å; F112-I162 HydrophobicContact CD2-CD1 4.4Å; F112-I162 HydrophobicContact CG-CD1 3.79Å; V158-I162 HydrophobicContact CG1-CD1 3.84Å; V158-I162 HydrophobicContact CG1-CG1 4.43Å; V158-I162 WeakPolarHBondContact O-CG1 3.33Å; V158-I162 PolarHBondContact O-N 3.22Å; E159-I162 PolarHBondContact O-N 3.47Å; I162-Y164 VanDerWaalsContact C-N 3.26Å; I162-Y164 PolarHBondContact O-N 2.92Å; I162-M165 WeakPolarHBondContact O-CB 3.45Å; I162-M165 PolarHBondContact O-N 2.85Å; I162-M165 VanDerWaalsContact O-N 3.11Å; I162-Y166 HydrophobicContact CG2-CD2 4.45Å; I162-Y166 HydrophobicContact CG2-CE2 4.23Å; I162-Y166 VanDerWaalsContact O-CD2 3.31Å; I162-Y166 WeakPolarHBondContact O-CD2 3.45Å; I162-Y166 PolarHBondContact O-N 2.82Å
163	Q	94.7	Very high	92.6	Very high	55 Å²	55	50.2 Å²	50.2	26%	0.257	26%	0.26	S	S	.	.	H	α-helix	trans	-58.5	-39.6	174.2	176.6	169	-49	0	0	111.5	E159 S160 M165 Y166 T167	E159-Q163 VanDerWaalsContact O-CB 3.28Å; E159-Q163 WeakPolarHBondContact O-CB 3.38Å; E159-Q163 PolarHBondContact O-N 3.38Å; S160-Q163 PolarHBondContact O-N 3.06Å; Q163-M165 VanDerWaalsContact C-N 3.32Å; Q163-M165 PolarHBondContact O-N 3.09Å; Q163-Y166 WeakPolarHBondContact O-CB 3.31Å; Q163-Y166 PolarHBondContact O-N 3.23Å; Q163-T167 HydrophobicContact CG-CG2 4.29Å; Q163-T167 PolarHBondContact O-N 2.96Å; Q163-T167 PolarHBondContact O-OG1 3.29Å
164	Y	96.1	Very high	92.8	Very high	34 Å²	34	54.7 Å²	54.7	13%	0.133	29%	0.287	C	S	.	.	H	α-helix	trans	-58.1	-41	174.5	174	-98.3	0	0	0	112.8	S160 V161 I162 Y166 T167 G168 I170 L189 L192	S160-Y164 PolarHBondContact O-N 3.43Å; V161-Y164 WeakPolarHBondContact O-CB 3.1Å; V161-Y164 PolarHBondContact O-N 3.26Å; I162-Y164 VanDerWaalsContact C-N 3.26Å; I162-Y164 PolarHBondContact O-N 2.92Å; Y164-Y166 PolarHBondContact O-N 3.15Å; Y164-T167 PolarHBondContact O-N 3.37Å; Y164-G168 VanDerWaalsContact CD2-C 3.48Å; Y164-G168 WeakPolarHBondContact CE2-O 3.49Å; Y164-G168 VanDerWaalsContact O-CA 3.3Å; Y164-G168 WeakPolarHBondContact O-CA 3.48Å; Y164-G168 PolarHBondContact O-N 3.43Å; Y164-I170 HydrophobicContact CD2-CB 4.04Å; Y164-I170 HydrophobicContact CD2-CG2 3.72Å; Y164-I170 HydrophobicContact CE2-CG2 4.31Å; Y164-I170 HydrophobicContact CG-CB 4.42Å; Y164-I170 HydrophobicContact CG-CG2 4.35Å; Y164-L189 HydrophobicContact CD1-CD1 4.05Å; Y164-L189 HydrophobicContact CE1-CD1 4.25Å; Y164-L189 HydrophobicContact CE1-CD2 4.43Å; Y164-L192 HydrophobicContact CD1-CB 4.43Å; Y164-L192 HydrophobicContact CD1-CD2 3.79Å; Y164-L192 HydrophobicContact CE1-CB 3.77Å; Y164-L192 HydrophobicContact CE1-CD2 3.99Å; Y164-L192 HydrophobicContact CE1-CG 4.4Å; Y164-L192 HydrophobicContact CG-CD2 4.16Å
165	M	94.9	Very high	92.7	Very high	16 Å²	16	55.9 Å²	55.9	8%	0.079	30%	0.3	C	S	.	.	H	α-helix	trans	-61.7	-24.9	175.9	-65.5	179.6	-173.1	0	0	112.9	L119 A122 F126 V161 I162 Q163 F187 L189	L119-M165 HydrophobicContact CD2-SD 3.48Å; L119-M165 WeakPolarHBondContact CD2-SD 3.37Å; A122-M165 HydrophobicContact CB-CB 3.71Å; A122-M165 HydrophobicContact CB-CG 4.03Å; F126-M165 HydrophobicContact CE2-CE 3.94Å; F126-M165 HydrophobicContact CE2-SD 4.05Å; V161-M165 HydrophobicContact CG1-CE 4.34Å; V161-M165 PolarHBondContact O-N 3.44Å; V161-M165 VanDerWaalsContact O-N 3.16Å; I162-M165 WeakPolarHBondContact O-CB 3.45Å; I162-M165 PolarHBondContact O-N 2.85Å; I162-M165 VanDerWaalsContact O-N 3.11Å; Q163-M165 VanDerWaalsContact C-N 3.32Å; Q163-M165 PolarHBondContact O-N 3.09Å; M165-F187 HydrophobicContact CE-CB 3.81Å; M165-F187 HydrophobicContact CE-CD2 3.37Å; M165-F187 HydrophobicContact CE-CE2 4.09Å; M165-F187 HydrophobicContact CE-CG 3.75Å; M165-L189 HydrophobicContact CE-CD1 3.75Å; M165-L189 HydrophobicContact CE-CD2 4.26Å; M165-L189 HydrophobicContact CE-CG 4.28Å; M165-L189 HydrophobicContact CG-CD1 4.34Å; M165-L189 HydrophobicContact CG-CD2 4.25Å
166	Y	95	Very high	92.8	Very high	12 Å²	12	54.3 Å²	54.3	5%	0.047	29%	0.288	C	S	.	.	H	α-helix	trans	-89.1	-45.7	176.9	-79.3	-112.5	0	0	0	112.4	S79 Q82 N83 R86 H115 V118 I162 Q163 Y164	S79-Y166 VanDerWaalsContact CB-O 3.29Å; S79-Y166 WeakPolarHBondContact CB-O 3.46Å; Q82-Y166 HydrophobicContact CB-CD1 4.07Å; Q82-Y166 HydrophobicContact CB-CE1 4.18Å; Q82-Y166 WeakPolarHBondContact O-CE1 3.32Å; N83-Y166 HydrophobicContact CB-CD1 3.97Å; N83-Y166 HydrophobicContact CB-CG 4.22Å; R86-Y166 HydrophobicContact CB-CE1 4Å; H115-Y166 PolarHBondContact N-OH 2.95Å; H115-Y166 AromaticContact ND1-CE1 3.4Å; H115-Y166 WeakPolarHBondContact ND1-CE1 3.47Å; H115-Y166 AromaticContact ND1-CZ 3.62Å; H115-Y166 PolarHBondContact ND1-OH 3.29Å; V118-Y166 HydrophobicContact CB-CE1 4.11Å; V118-Y166 HydrophobicContact CB-CE2 4.23Å; V118-Y166 HydrophobicContact CG1-CD1 3.85Å; V118-Y166 HydrophobicContact CG1-CD2 3.76Å; V118-Y166 HydrophobicContact CG1-CE1 3.89Å; V118-Y166 HydrophobicContact CG1-CE2 3.76Å; V118-Y166 HydrophobicContact CG1-CG 3.8Å; V118-Y166 HydrophobicContact CG2-CD1 4.4Å; V118-Y166 HydrophobicContact CG2-CE1 3.94Å; I162-Y166 HydrophobicContact CG2-CD2 4.45Å; I162-Y166 HydrophobicContact CG2-CE2 4.23Å; I162-Y166 VanDerWaalsContact O-CD2 3.31Å; I162-Y166 WeakPolarHBondContact O-CD2 3.45Å; I162-Y166 PolarHBondContact O-N 2.82Å; Q163-Y166 WeakPolarHBondContact O-CB 3.31Å; Q163-Y166 PolarHBondContact O-N 3.23Å; Y164-Y166 PolarHBondContact O-N 3.15Å
167	T	94	Very high	92.9	Very high	38 Å²	38	47.5 Å²	47.5	23%	0.233	26%	0.257	C	S	.	.	H	α-helix	trans	-106.6	-17.2	-167.9	66.1	0	0	0	0	114.2	N83 Q163 Y164 E169	N83-T167 HydrophobicContact CB-CG2 4.15Å; Q163-T167 HydrophobicContact CG-CG2 4.29Å; Q163-T167 PolarHBondContact O-N 2.96Å; Q163-T167 PolarHBondContact O-OG1 3.29Å; Y164-T167 PolarHBondContact O-N 3.37Å; T167-E169 PolarHBondContact O-N 3.47Å; T167-E169 PolarHBondContact OG1-N 2.93Å
168	G	92.3	Very high	92.8	Very high	51 Å²	51	50.8 Å²	50.8	53%	0.526	27%	0.272	S	S	.	.	S	Bend	trans	72.6	8.4	-169.8	0	0	0	0	0	114.1	Y164	Y164-G168 VanDerWaalsContact CD2-C 3.48Å; Y164-G168 WeakPolarHBondContact CE2-O 3.49Å; Y164-G168 VanDerWaalsContact O-CA 3.3Å; Y164-G168 WeakPolarHBondContact O-CA 3.48Å; Y164-G168 PolarHBondContact O-N 3.43Å
169	E	92.7	Very high	92.8	Very high	142 Å²	142	52.1 Å²	52.1	66%	0.664	28%	0.278	S	S	*	.			trans	-119.5	131	-175.2	-64.3	-177.1	172.2	0	0	111.5	T167	T167-E169 PolarHBondContact O-N 3.47Å; T167-E169 PolarHBondContact OG1-N 2.93Å
170	I	95.1	Very high	92.8	Very high	41 Å²	41	49.8 Å²	49.8	21%	0.21	27%	0.267	C	S	.	.			trans	-148.6	148.2	177.3	-171.5	168.5	0	0	0	111.2	V161 Y164 V172 V180 L192	V161-I170 HydrophobicContact CG2-CD1 3.94Å; Y164-I170 HydrophobicContact CD2-CB 4.04Å; Y164-I170 HydrophobicContact CD2-CG2 3.72Å; Y164-I170 HydrophobicContact CE2-CG2 4.31Å; Y164-I170 HydrophobicContact CG-CB 4.42Å; Y164-I170 HydrophobicContact CG-CG2 4.35Å; I170-V172 HydrophobicContact CG2-CG2 4.29Å; I170-V180 HydrophobicContact CD1-CG1 4.03Å; I170-V180 HydrophobicContact CD1-CG2 4.32Å; I170-L192 HydrophobicContact CD1-CD2 4.35Å; I170-L192 HydrophobicContact CG2-CD1 3.6Å
171	R	93.4	Very high	92.8	Very high	219 Å²	219	47.7 Å²	47.7	83%	0.826	25%	0.252	S	S	*	.			trans	-102.9	108.9	173.6	-173.7	178.1	179.9	179.3	-0.9	110.4	N176	R171-N176 PolarHBondContact O-ND2 3.49Å; R171-N176 VanDerWaalsContact O-ND2 3.11Å
172	V	93.8	Very high	92.7	Very high	17 Å²	17	48.6 Å²	48.6	10%	0.103	26%	0.257	C	S	.	.			trans	-94.7	134.3	175	-175.2	0	0	0	0	110.3	I170 V177 V180 F195 F199	I170-V172 HydrophobicContact CG2-CG2 4.29Å; V172-V177 HydrophobicContact CG1-CB 3.79Å; V172-V177 HydrophobicContact CG1-CG2 3.89Å; V172-V180 HydrophobicContact CG2-CG1 4.33Å; V172-F195 HydrophobicContact CB-CE1 3.94Å; V172-F195 HydrophobicContact CG2-CD1 4.01Å; V172-F195 HydrophobicContact CG2-CE1 3.66Å; V172-F199 HydrophobicContact CG1-CD1 4.16Å; V172-F199 HydrophobicContact CG1-CE1 4.29Å; V172-F199 HydrophobicContact CG1-CG 4.38Å
173	S	91.9	Very high	92.6	Very high	36 Å²	36	48.6 Å²	48.6	25%	0.252	26%	0.256	S	S	.	.			trans	-127.7	170.5	178.8	73.1	0	0	0	0	110	C175 N176 V177	S173-C175 PolarHBondContact O-N 3.4Å; S173-C175 PolarHBondContact OG-N 2.86Å; S173-C175 PolarHBondContact OG-SG 3.03Å; S173-N176 PolarHBondContact N-OD1 3.49Å; S173-N176 PolarHBondContact O-OD1 2.94Å; S173-N176 VanDerWaalsContact O-OD1 3.14Å; S173-N176 VanDerWaalsContact OG-CG 3.3Å; S173-N176 PolarHBondContact OG-N 3.25Å; S173-N176 PolarHBondContact OG-OD1 2.89Å; S173-V177 VanDerWaalsContact O-CB 3.31Å; S173-V177 WeakPolarHBondContact O-CB 3.44Å; S173-V177 PolarHBondContact O-N 2.72Å; S173-V177 VanDerWaalsContact O-N 3.13Å
174	T	87.3	Confident	92.7	Very high	107 Å²	107	46 Å²	46	66%	0.656	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-20	178.5	50.3	0	0	0	0	113.6	F199	T174-F199 HydrophobicContact CG2-CE1 4.32Å; T174-F199 HydrophobicContact CG2-CZ 4.25Å
175	C	85.6	Confident	92.5	Very high	94 Å²	94	46.8 Å²	46.8	64%	0.635	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-40	176.5	53.3	0	0	0	0	112.4	S173 H178	S173-C175 PolarHBondContact O-N 3.4Å; S173-C175 PolarHBondContact OG-N 2.86Å; S173-C175 PolarHBondContact OG-SG 3.03Å; C175-H178 PolarHBondContact O-CE1 3.23Å; C175-H178 PolarHBondContact O-ND1 2.96Å
176	N	91	Very high	92.3	Very high	23 Å²	23	52.1 Å²	52.1	12%	0.123	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-14	-175.5	72.2	7.4	0	0	0	114.5	T157 R171 S173 H178 E179 V180	T157-N176 HydrophobicContact CG2-CB 4.43Å; R171-N176 PolarHBondContact O-ND2 3.49Å; R171-N176 VanDerWaalsContact O-ND2 3.11Å; S173-N176 PolarHBondContact N-OD1 3.49Å; S173-N176 PolarHBondContact O-OD1 2.94Å; S173-N176 VanDerWaalsContact O-OD1 3.14Å; S173-N176 VanDerWaalsContact OG-CG 3.3Å; S173-N176 PolarHBondContact OG-N 3.25Å; S173-N176 PolarHBondContact OG-OD1 2.89Å; N176-H178 PolarHBondContact O-N 2.81Å; N176-H178 VanDerWaalsContact O-N 3.11Å; N176-E179 PolarHBondContact O-N 3.45Å; N176-V180 HydrophobicContact CB-CG2 4.28Å; N176-V180 WeakPolarHBondContact O-CG2 3.25Å; N176-V180 PolarHBondContact O-N 3.26Å
177	V	92.3	Very high	92.2	Very high	8 Å²	8	51.7 Å²	51.7	5%	0.048	27%	0.269	C	S	.	.	H	α-helix	trans	-56.2	-34.2	-171.6	62.3	0	0	0	0	114.4	V172 S173 L181 C196 F199 L200	V172-V177 HydrophobicContact CG1-CB 3.79Å; V172-V177 HydrophobicContact CG1-CG2 3.89Å; S173-V177 VanDerWaalsContact O-CB 3.31Å; S173-V177 WeakPolarHBondContact O-CB 3.44Å; S173-V177 PolarHBondContact O-N 2.72Å; S173-V177 VanDerWaalsContact O-N 3.13Å; V177-L181 WeakPolarHBondContact O-CB 3.17Å; V177-L181 PolarHBondContact O-N 3.41Å; V177-C196 HydrophobicContact CG2-CB 4.34Å; V177-F199 HydrophobicContact CB-CD1 4.38Å; V177-F199 HydrophobicContact CB-CE1 4.34Å; V177-F199 HydrophobicContact CG2-CD1 3.96Å; V177-F199 HydrophobicContact CG2-CE1 4.41Å; V177-L200 HydrophobicContact CG1-CD2 3.84Å; V177-L200 HydrophobicContact CG2-CD1 4.22Å; V177-L200 HydrophobicContact CG2-CD2 3.85Å; V177-L200 HydrophobicContact CG2-CG 3.86Å
178	H	90.5	Very high	92.2	Very high	77 Å²	77	54.6 Å²	54.6	36%	0.356	28%	0.282	S	S	.	.	H	α-helix	trans	-68.9	-45.4	-178.9	69.4	-72.6	0	0	0	112.1	C175 N176 L181 E182 L215	C175-H178 PolarHBondContact O-CE1 3.23Å; C175-H178 PolarHBondContact O-ND1 2.96Å; N176-H178 PolarHBondContact O-N 2.81Å; N176-H178 VanDerWaalsContact O-N 3.11Å; H178-L181 PolarHBondContact O-N 3.01Å; H178-E182 PolarHBondContact O-N 3.32Å; H178-L215 HydrophobicContact CB-CD1 4.16Å; H178-L215 HydrophobicContact CB-CD2 4.33Å
179	E	91.3	Very high	92.3	Very high	29 Å²	29	52.7 Å²	52.7	14%	0.136	26%	0.26	C	S	.	.	H	α-helix	trans	-70.2	-39.7	175.2	-70.4	174.5	-179.9	0	0	112.2	P153 D154 T157 N176 L181 E182 L183	P153-E179 HydrophobicContact CB-CB 4.45Å; P153-E179 HydrophobicContact CB-CG 4.34Å; D154-E179 VanDerWaalsContact CB-OE2 3.27Å; D154-E179 WeakPolarHBondContact CB-OE2 2.99Å; D154-E179 PolarHBondContact N-OE1 3.34Å; D154-E179 PolarHBondContact N-OE2 3.2Å; D154-E179 VanDerWaalsContact N-OE2 3.09Å; T157-E179 VanDerWaalsContact CB-OE2 3.25Å; T157-E179 WeakPolarHBondContact CB-OE2 3.4Å; T157-E179 HydrophobicContact CG2-CB 3.76Å; T157-E179 PolarHBondContact OG1-OE2 2.91Å; N176-E179 PolarHBondContact O-N 3.45Å; E179-L181 VanDerWaalsContact C-N 3.26Å; E179-L181 PolarHBondContact O-N 2.91Å; E179-E182 WeakPolarHBondContact O-CB 3.37Å; E179-E182 PolarHBondContact O-N 3.19Å; E179-L183 WeakPolarHBondContact O-CG 3.47Å; E179-L183 PolarHBondContact O-N 3.01Å
180	V	94.6	Very high	92.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60	-41.9	174.6	176	0	0	0	0	110	T157 V161 I170 V172 N176 L183 A184 L192	T157-V180 HydrophobicContact CG2-CB 4.48Å; T157-V180 HydrophobicContact CG2-CG2 3.51Å; V161-V180 HydrophobicContact CG2-CG1 4.25Å; V161-V180 HydrophobicContact CG2-CG2 4.39Å; I170-V180 HydrophobicContact CD1-CG1 4.03Å; I170-V180 HydrophobicContact CD1-CG2 4.32Å; V172-V180 HydrophobicContact CG2-CG1 4.33Å; N176-V180 HydrophobicContact CB-CG2 4.28Å; N176-V180 WeakPolarHBondContact O-CG2 3.25Å; N176-V180 PolarHBondContact O-N 3.26Å; V180-L183 PolarHBondContact O-N 3.5Å; V180-A184 WeakPolarHBondContact O-CB 3.28Å; V180-A184 PolarHBondContact O-N 2.68Å; V180-L192 HydrophobicContact CG1-CD1 4.1Å; V180-L192 HydrophobicContact CG1-CD2 3.98Å; V180-L192 HydrophobicContact CG1-CG 4.11Å
181	L	94.1	Very high	92.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.4	-40.7	177.7	-178.7	61.2	0	0	0	111.8	V177 H178 E179 A184 D185 K193 C196 L200 Y219 L221	V177-L181 WeakPolarHBondContact O-CB 3.17Å; V177-L181 PolarHBondContact O-N 3.41Å; H178-L181 PolarHBondContact O-N 3.01Å; E179-L181 VanDerWaalsContact C-N 3.26Å; E179-L181 PolarHBondContact O-N 2.91Å; L181-A184 PolarHBondContact O-N 3.09Å; L181-D185 WeakPolarHBondContact O-CB 3.39Å; L181-D185 PolarHBondContact O-N 2.78Å; L181-K193 HydrophobicContact CD1-CB 4.49Å; L181-K193 HydrophobicContact CD1-CG 3.93Å; L181-C196 HydrophobicContact CB-CB 4.34Å; L181-C196 HydrophobicContact CD1-CB 3.95Å; L181-L200 HydrophobicContact CD2-CD1 4.26Å; L181-Y219 HydrophobicContact CD2-CD2 3.47Å; L181-Y219 VanDerWaalsContact CD2-CD2 3.47Å; L181-Y219 HydrophobicContact CD2-CE2 4.15Å; L181-Y219 HydrophobicContact CD2-CG 4.11Å; L181-Y219 HydrophobicContact CG-CD2 3.64Å; L181-Y219 HydrophobicContact CG-CE2 4.18Å; L181-Y219 HydrophobicContact CG-CG 3.94Å; L181-L221 HydrophobicContact CD1-CD1 4.02Å; L181-L221 HydrophobicContact CD2-CD1 3.8Å
182	E	92.2	Very high	92.3	Very high	20 Å²	20	46.3 Å²	46.3	9%	0.093	24%	0.241	C	C	.	.	H	α-helix	trans	-59.3	-48.7	174.6	-171.3	168.7	178.4	0	0	111.7	W147 S148 H178 E179 D185 R186 Y219	W147-E182 HydrophobicContact CE3-CG 4.1Å; W147-E182 HydrophobicContact CZ3-CG 4.23Å; S148-E182 WeakPolarHBondContact CB-OE1 3.41Å; S148-E182 WeakPolarHBondContact CB-OE2 3.49Å; S148-E182 PolarHBondContact N-OE1 3.49Å; S148-E182 PolarHBondContact OG-OE1 2.84Å; S148-E182 PolarHBondContact OG-OE2 3.48Å; H178-E182 PolarHBondContact O-N 3.32Å; E179-E182 WeakPolarHBondContact O-CB 3.37Å; E179-E182 PolarHBondContact O-N 3.19Å; E182-D185 PolarHBondContact O-N 3.05Å; E182-R186 VanDerWaalsContact O-CB 3.27Å; E182-R186 WeakPolarHBondContact O-CB 3.5Å; E182-R186 PolarHBondContact O-N 3.44Å; E182-Y219 HydrophobicContact CB-CE1 4.18Å; E182-Y219 WeakPolarHBondContact CB-OH 3.36Å; E182-Y219 HydrophobicContact CG-CE1 4.23Å; E182-Y219 VanDerWaalsContact CG-OH 3.25Å; E182-Y219 WeakPolarHBondContact CG-OH 3.49Å
183	L	92.8	Very high	92.4	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-66.7	-40.3	178.3	-69	166.4	0	0	0	112	F98 W147 P153 T157 V158 V161 E179 V180 R186 F187	F98-L183 HydrophobicContact CE1-CD2 4.04Å; W147-L183 HydrophobicContact CH2-CD2 3.41Å; W147-L183 VanDerWaalsContact CH2-CD2 3.41Å; W147-L183 HydrophobicContact CZ2-CD2 4.35Å; W147-L183 HydrophobicContact CZ3-CD2 3.6Å; W147-L183 HydrophobicContact CZ3-CG 4.4Å; P153-L183 HydrophobicContact CB-CD1 4.45Å; P153-L183 HydrophobicContact CG-CD2 4.34Å; T157-L183 HydrophobicContact CG2-CD1 4.15Å; V158-L183 HydrophobicContact CG2-CD1 4.11Å; V161-L183 HydrophobicContact CB-CB 4.49Å; V161-L183 HydrophobicContact CB-CD1 4.15Å; V161-L183 HydrophobicContact CG1-CB 4.1Å; V161-L183 HydrophobicContact CG2-CB 4.15Å; V161-L183 HydrophobicContact CG2-CD1 3.77Å; E179-L183 WeakPolarHBondContact O-CG 3.47Å; E179-L183 PolarHBondContact O-N 3.01Å; V180-L183 PolarHBondContact O-N 3.5Å; L183-R186 PolarHBondContact O-N 2.93Å; L183-F187 HydrophobicContact CB-CD2 4.37Å; L183-F187 HydrophobicContact CB-CE2 4.38Å; L183-F187 HydrophobicContact CD2-CE2 3.76Å; L183-F187 HydrophobicContact CD2-CZ 4.24Å; L183-F187 WeakPolarHBondContact O-CB 3.44Å; L183-F187 VanDerWaalsContact O-CD2 3.27Å; L183-F187 WeakPolarHBondContact O-CD2 3.25Å; L183-F187 WeakPolarHBondContact O-CG 3.24Å; L183-F187 PolarHBondContact O-N 3.39Å
184	A	94.9	Very high	92.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.7	-41.9	178.6	0	0	0	0	0	111.8	V180 L181 L188 L189 L192 K193	V180-A184 WeakPolarHBondContact O-CB 3.28Å; V180-A184 PolarHBondContact O-N 2.68Å; L181-A184 PolarHBondContact O-N 3.09Å; A184-L188 CarbonylContact O-C 3.49Å; A184-L188 PolarHBondContact O-N 2.94Å; A184-L188 VanDerWaalsContact O-N 3.11Å; A184-L189 HydrophobicContact CB-CB 4.21Å; A184-L189 PolarHBondContact O-N 3.23Å; A184-L192 HydrophobicContact CB-CB 4.11Å; A184-L192 HydrophobicContact CB-CD2 4Å; A184-L192 HydrophobicContact CB-CG 3.89Å; A184-K193 HydrophobicContact CB-CB 4.25Å
185	D	93.4	Very high	92.9	Very high	51 Å²	51	49.6 Å²	49.6	27%	0.273	25%	0.246	S	C	.	.	H	α-helix	trans	-67.3	-47.6	175.6	-169.9	73.4	0	0	0	111.3	L181 E182 F187 L188 K193 Y219	L181-D185 WeakPolarHBondContact O-CB 3.39Å; L181-D185 PolarHBondContact O-N 2.78Å; E182-D185 PolarHBondContact O-N 3.05Å; D185-F187 VanDerWaalsContact C-N 3.34Å; D185-F187 PolarHBondContact O-N 3.19Å; D185-L188 PolarHBondContact O-N 3.17Å; D185-K193 HydrophobicContact CB-CD 4.49Å; D185-K193 WeakPolarHBondContact OD1-CE 3.31Å; D185-K193 IonicContact OD1-NZ 3.05Å; D185-K193 PolarHBondContact OD1-NZ 2.63Å; D185-Y219 HydrophobicContact CB-CD1 3.75Å; D185-Y219 HydrophobicContact CB-CE1 4.36Å
186	R	90.8	Very high	93.3	Very high	129 Å²	129	45.1 Å²	45.1	49%	0.487	22%	0.216	S	C	.	.	H	α-helix	trans	-60.2	-42	-179.5	-175.7	60.3	170.2	-168.1	-5.2	112.9	Y125 E182 L183 L188	Y125-R186 WeakPolarHBondContact CD2-O 3.45Å; E182-R186 VanDerWaalsContact O-CB 3.27Å; E182-R186 WeakPolarHBondContact O-CB 3.5Å; E182-R186 PolarHBondContact O-N 3.44Å; L183-R186 PolarHBondContact O-N 2.93Å; R186-L188 VanDerWaalsContact C-N 3.31Å
187	F	91.9	Very high	93.4	Very high	3 Å²	3	44.4 Å²	44.4	1%	0.013	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	9	178.5	-59.5	-39.1	0	0	0	113.4	F98 T123 Y125 F126 M144 V161 M165 L183 D185 L189	F98-F187 HydrophobicContact CE1-CZ 4.46Å; F98-F187 HydrophobicContact CZ-CZ 4.28Å; T123-F187 VanDerWaalsContact CB-O 3.3Å; T123-F187 WeakPolarHBondContact CB-O 3.35Å; T123-F187 WeakPolarHBondContact CG2-O 3.33Å; T123-F187 PolarHBondContact OG1-O 3.37Å; Y125-F187 AromaticContact CD1-CD1 3.85Å; Y125-F187 HydrophobicContact CD1-CD1 3.85Å; Y125-F187 HydrophobicContact CD1-CE1 4.5Å; Y125-F187 AromaticContact CE1-CD1 3.82Å; Y125-F187 HydrophobicContact CE1-CD1 3.82Å; Y125-F187 HydrophobicContact CE1-CE1 4.07Å; Y125-F187 HydrophobicContact CG-CD1 4.45Å; F126-F187 HydrophobicContact CE2-CD1 4.15Å; F126-F187 HydrophobicContact CE2-CG 4.38Å; F126-F187 AromaticContact CZ-CD1 3.89Å; F126-F187 HydrophobicContact CZ-CD1 3.89Å; F126-F187 AromaticContact CZ-CE1 3.85Å; F126-F187 HydrophobicContact CZ-CE1 3.85Å; F126-F187 HydrophobicContact CZ-CG 4.48Å; F126-F187 HydrophobicContact CZ-CZ 4.37Å; M144-F187 HydrophobicContact CE-CE1 3.77Å; M144-F187 HydrophobicContact CE-CZ 4.26Å; M144-F187 HydrophobicContact SD-CE1 4.25Å; V161-F187 HydrophobicContact CG1-CD2 4.43Å; M165-F187 HydrophobicContact CE-CB 3.81Å; M165-F187 HydrophobicContact CE-CD2 3.37Å; M165-F187 HydrophobicContact CE-CE2 4.09Å; M165-F187 HydrophobicContact CE-CG 3.75Å; L183-F187 HydrophobicContact CB-CD2 4.37Å; L183-F187 HydrophobicContact CB-CE2 4.38Å; L183-F187 HydrophobicContact CD2-CE2 3.76Å; L183-F187 HydrophobicContact CD2-CZ 4.24Å; L183-F187 WeakPolarHBondContact O-CB 3.44Å; L183-F187 VanDerWaalsContact O-CD2 3.27Å; L183-F187 WeakPolarHBondContact O-CD2 3.25Å; L183-F187 WeakPolarHBondContact O-CG 3.24Å; L183-F187 PolarHBondContact O-N 3.39Å; D185-F187 VanDerWaalsContact C-N 3.34Å; D185-F187 PolarHBondContact O-N 3.19Å; F187-L189 HydrophobicContact CB-CD1 4.38Å; F187-L189 HydrophobicContact CB-CG 4.07Å; F187-L189 PolarHBondContact O-N 3.34Å
188	L	93.7	Very high	93.5	Very high	98 Å²	98	47.9 Å²	47.9	51%	0.513	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	32.6	178.5	-51.9	175.6	0	0	0	113.6	A184 D185 R186 L190	A184-L188 CarbonylContact O-C 3.49Å; A184-L188 PolarHBondContact O-N 2.94Å; A184-L188 VanDerWaalsContact O-N 3.11Å; D185-L188 PolarHBondContact O-N 3.17Å; R186-L188 VanDerWaalsContact C-N 3.31Å; L188-L190 VanDerWaalsContact C-N 3.28Å; L188-L190 PolarHBondContact O-N 3.29Å
189	L	94.8	Very high	93.7	Very high	12 Å²	12	46.1 Å²	46.1	6%	0.063	22%	0.221	C	C	.	.			trans	-79.2	73.7	175	-60.5	175.2	0	0	0	110.4	T123 V161 Y164 M165 A184 F187 Q191 L192 K193	T123-L189 HydrophobicContact CG2-CD2 4.4Å; V161-L189 HydrophobicContact CG1-CD1 3.83Å; Y164-L189 HydrophobicContact CD1-CD1 4.05Å; Y164-L189 HydrophobicContact CE1-CD1 4.25Å; Y164-L189 HydrophobicContact CE1-CD2 4.43Å; M165-L189 HydrophobicContact CE-CD1 3.75Å; M165-L189 HydrophobicContact CE-CD2 4.26Å; M165-L189 HydrophobicContact CE-CG 4.28Å; M165-L189 HydrophobicContact CG-CD1 4.34Å; M165-L189 HydrophobicContact CG-CD2 4.25Å; A184-L189 HydrophobicContact CB-CB 4.21Å; A184-L189 PolarHBondContact O-N 3.23Å; F187-L189 HydrophobicContact CB-CD1 4.38Å; F187-L189 HydrophobicContact CB-CG 4.07Å; F187-L189 PolarHBondContact O-N 3.34Å; L189-Q191 VanDerWaalsContact C-N 3.35Å; L189-Q191 PolarHBondContact O-N 3.45Å; L189-L192 HydrophobicContact CB-CB 4.04Å; L189-L192 HydrophobicContact CD1-CD2 4.03Å; L189-L192 PolarHBondContact O-N 3.27Å; L189-L192 VanDerWaalsContact O-N 3.09Å; L189-K193 PolarHBondContact O-N 3.08Å
190	L	93	Very high	93.8	Very high	112 Å²	112	45.3 Å²	45.3	59%	0.586	22%	0.217	S	C	*	.	H	α-helix	trans	-56.1	-43.2	-171.2	-59.2	-179.9	0	0	0	113.5	L188 L192 K193 D194	L188-L190 VanDerWaalsContact C-N 3.28Å; L188-L190 PolarHBondContact O-N 3.29Å; L190-L192 VanDerWaalsContact C-N 3.33Å; L190-L192 PolarHBondContact O-N 3.48Å; L190-K193 WeakPolarHBondContact O-CB 3.46Å; L190-K193 PolarHBondContact O-N 2.95Å; L190-D194 PolarHBondContact O-N 3.39Å
191	Q	94.5	Very high	93.7	Very high	153 Å²	153	48.3 Å²	48.3	72%	0.715	23%	0.23	S	C	*	.	H	α-helix	trans	-63.9	-37.8	179.4	-66	-176.1	-0.2	0	0	112.6	L189 F195	L189-Q191 VanDerWaalsContact C-N 3.35Å; L189-Q191 PolarHBondContact O-N 3.45Å; Q191-F195 WeakPolarHBondContact O-CB 3.2Å; Q191-F195 PolarHBondContact O-N 3.27Å; Q191-F195 VanDerWaalsContact O-N 3.07Å
192	L	94.9	Very high	93.7	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-71.5	-41.1	176.7	-178.3	55.1	0	0	0	111.1	V161 Y164 I170 V180 A184 L189 L190 D194 F195 C196	V161-L192 HydrophobicContact CG1-CD2 4.49Å; Y164-L192 HydrophobicContact CD1-CB 4.43Å; Y164-L192 HydrophobicContact CD1-CD2 3.79Å; Y164-L192 HydrophobicContact CE1-CB 3.77Å; Y164-L192 HydrophobicContact CE1-CD2 3.99Å; Y164-L192 HydrophobicContact CE1-CG 4.4Å; Y164-L192 HydrophobicContact CG-CD2 4.16Å; I170-L192 HydrophobicContact CD1-CD2 4.35Å; I170-L192 HydrophobicContact CG2-CD1 3.6Å; V180-L192 HydrophobicContact CG1-CD1 4.1Å; V180-L192 HydrophobicContact CG1-CD2 3.98Å; V180-L192 HydrophobicContact CG1-CG 4.11Å; A184-L192 HydrophobicContact CB-CB 4.11Å; A184-L192 HydrophobicContact CB-CD2 4Å; A184-L192 HydrophobicContact CB-CG 3.89Å; L189-L192 HydrophobicContact CB-CB 4.04Å; L189-L192 HydrophobicContact CD1-CD2 4.03Å; L189-L192 PolarHBondContact O-N 3.27Å; L189-L192 VanDerWaalsContact O-N 3.09Å; L190-L192 VanDerWaalsContact C-N 3.33Å; L190-L192 PolarHBondContact O-N 3.48Å; L192-D194 PolarHBondContact O-N 2.84Å; L192-F195 WeakPolarHBondContact O-CB 3.45Å; L192-F195 PolarHBondContact O-N 3.09Å; L192-C196 PolarHBondContact O-N 3.16Å; L192-C196 PolarHBondContact O-SG 2.79Å; L192-C196 VanDerWaalsContact O-SG 3.41Å
193	K	94.4	Very high	93.6	Very high	22 Å²	22	61.1 Å²	61.1	10%	0.096	29%	0.286	C	S	.	.	H	α-helix	trans	-58.1	-47.3	174.3	176	175.7	176.1	174.8	0	111.4	L181 A184 D185 L189 L190 F195 C196 G197 Y219 T220 L221	L181-K193 HydrophobicContact CD1-CB 4.49Å; L181-K193 HydrophobicContact CD1-CG 3.93Å; A184-K193 HydrophobicContact CB-CB 4.25Å; D185-K193 HydrophobicContact CB-CD 4.49Å; D185-K193 WeakPolarHBondContact OD1-CE 3.31Å; D185-K193 IonicContact OD1-NZ 3.05Å; D185-K193 PolarHBondContact OD1-NZ 2.63Å; L189-K193 PolarHBondContact O-N 3.08Å; L190-K193 WeakPolarHBondContact O-CB 3.46Å; L190-K193 PolarHBondContact O-N 2.95Å; K193-F195 VanDerWaalsContact C-N 3.34Å; K193-F195 PolarHBondContact O-N 3.42Å; K193-C196 PolarHBondContact O-N 2.86Å; K193-G197 PolarHBondContact O-N 2.87Å; K193-Y219 WeakPolarHBondContact CE-O 3.08Å; K193-Y219 PolarHBondContact NZ-O 3.39Å; K193-T220 PolarHBondContact NZ-OG1 3.21Å; K193-L221 HydrophobicContact CD-CD2 4.46Å; K193-L221 HydrophobicContact CG-CD2 3.9Å
194	D	94.2	Very high	93.7	Very high	103 Å²	103	62.5 Å²	62.5	55%	0.551	29%	0.293	S	S	*	.	H	α-helix	trans	-62.4	-41.4	176.9	-72.5	-20	0	0	0	111.8	L190 L192 G197 E198	L190-D194 PolarHBondContact O-N 3.39Å; L192-D194 PolarHBondContact O-N 2.84Å; D194-G197 PolarHBondContact O-N 2.95Å; D194-E198 PolarHBondContact O-N 3.16Å
195	F	95.3	Very high	93.6	Very high	105 Å²	105	64.5 Å²	64.5	46%	0.461	31%	0.307	S	S	.	.	H	α-helix	trans	-61.8	-44.7	175.2	178.2	-96.8	0	0	0	112.2	V172 Q191 L192 K193 G197 E198 F199	V172-F195 HydrophobicContact CB-CE1 3.94Å; V172-F195 HydrophobicContact CG2-CD1 4.01Å; V172-F195 HydrophobicContact CG2-CE1 3.66Å; Q191-F195 WeakPolarHBondContact O-CB 3.2Å; Q191-F195 PolarHBondContact O-N 3.27Å; Q191-F195 VanDerWaalsContact O-N 3.07Å; L192-F195 WeakPolarHBondContact O-CB 3.45Å; L192-F195 PolarHBondContact O-N 3.09Å; K193-F195 VanDerWaalsContact C-N 3.34Å; K193-F195 PolarHBondContact O-N 3.42Å; F195-G197 VanDerWaalsContact C-N 3.3Å; F195-G197 PolarHBondContact O-N 3.43Å; F195-E198 PolarHBondContact O-N 2.96Å; F195-F199 WeakPolarHBondContact O-CB 3.32Å; F195-F199 PolarHBondContact O-N 3.2Å
196	C	94.8	Very high	93.5	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60	-40.8	174	-73.7	0	0	0	0	111.6	V177 L181 L192 K193 F199 L200	V177-C196 HydrophobicContact CG2-CB 4.34Å; L181-C196 HydrophobicContact CB-CB 4.34Å; L181-C196 HydrophobicContact CD1-CB 3.95Å; L192-C196 PolarHBondContact O-N 3.16Å; L192-C196 PolarHBondContact O-SG 2.79Å; L192-C196 VanDerWaalsContact O-SG 3.41Å; K193-C196 PolarHBondContact O-N 2.86Å; C196-F199 PolarHBondContact O-N 2.94Å; C196-L200 WeakPolarHBondContact O-CG 3.36Å; C196-L200 PolarHBondContact O-N 3.09Å
197	G	93.7	Very high	93.4	Very high	8 Å²	8	64.8 Å²	64.8	8%	0.082	32%	0.322	C	S	.	.	H	α-helix	trans	-59.6	-48.4	174.7	0	0	0	0	0	113	K193 D194 F195 L200 K201	K193-G197 PolarHBondContact O-N 2.87Å; D194-G197 PolarHBondContact O-N 2.95Å; F195-G197 VanDerWaalsContact C-N 3.3Å; F195-G197 PolarHBondContact O-N 3.43Å; G197-L200 PolarHBondContact O-N 3.31Å; G197-K201 WeakPolarHBondContact O-CB 3.18Å; G197-K201 PolarHBondContact O-N 3.09Å
198	E	93.9	Very high	93.4	Very high	80 Å²	80	66.9 Å²	66.9	37%	0.374	33%	0.334	S	S	.	.	H	α-helix	trans	-68.1	-33.2	177	-78.1	-63.5	134.6	0	0	112.8	D194 F195 K201 K202	D194-E198 PolarHBondContact O-N 3.16Å; F195-E198 PolarHBondContact O-N 2.96Å; E198-K201 PolarHBondContact O-N 3.49Å; E198-K201 WeakPolarHBondContact OE1-CD 3.49Å; E198-K201 IonicContact OE1-NZ 2.7Å; E198-K201 PolarHBondContact OE1-NZ 3.46Å; E198-K201 IonicContact OE2-NZ 3.29Å; E198-K202 WeakPolarHBondContact O-CG 3.5Å; E198-K202 PolarHBondContact O-N 3.4Å; E198-K202 VanDerWaalsContact O-N 3.15Å
199	F	94.7	Very high	93.4	Very high	40 Å²	40	62.2 Å²	62.2	18%	0.175	31%	0.309	C	S	.	.	H	α-helix	trans	-63.4	-48.6	173.1	178.8	-93.3	0	0	0	111.6	V172 T174 V177 F195 C196 K201 K202 K203	V172-F199 HydrophobicContact CG1-CD1 4.16Å; V172-F199 HydrophobicContact CG1-CE1 4.29Å; V172-F199 HydrophobicContact CG1-CG 4.38Å; T174-F199 HydrophobicContact CG2-CE1 4.32Å; T174-F199 HydrophobicContact CG2-CZ 4.25Å; V177-F199 HydrophobicContact CB-CD1 4.38Å; V177-F199 HydrophobicContact CB-CE1 4.34Å; V177-F199 HydrophobicContact CG2-CD1 3.96Å; V177-F199 HydrophobicContact CG2-CE1 4.41Å; F195-F199 WeakPolarHBondContact O-CB 3.32Å; F195-F199 PolarHBondContact O-N 3.2Å; C196-F199 PolarHBondContact O-N 2.94Å; F199-K201 VanDerWaalsContact C-N 3.32Å; F199-K201 PolarHBondContact O-N 2.96Å; F199-K202 PolarHBondContact O-N 3.42Å; F199-K203 HydrophobicContact CE1-CG 4.37Å; F199-K203 HydrophobicContact CZ-CG 4.33Å; F199-K203 PolarHBondContact O-N 3.35Å
200	L	94	Very high	93.4	Very high	12 Å²	12	62.1 Å²	62.1	6%	0.063	31%	0.309	C	S	.	.	H	α-helix	trans	-63.8	-38.4	177.4	-71.7	175.1	0	0	0	111.7	V177 L181 C196 G197 K202 K203 L204 V212 L224	V177-L200 HydrophobicContact CG1-CD2 3.84Å; V177-L200 HydrophobicContact CG2-CD1 4.22Å; V177-L200 HydrophobicContact CG2-CD2 3.85Å; V177-L200 HydrophobicContact CG2-CG 3.86Å; L181-L200 HydrophobicContact CD2-CD1 4.26Å; C196-L200 WeakPolarHBondContact O-CG 3.36Å; C196-L200 PolarHBondContact O-N 3.09Å; G197-L200 PolarHBondContact O-N 3.31Å; L200-K202 VanDerWaalsContact C-N 3.32Å; L200-K202 PolarHBondContact O-N 2.95Å; L200-K203 CarbonylContact O-C 3.59Å; L200-K203 PolarHBondContact O-N 2.87Å; L200-K203 VanDerWaalsContact O-N 3.11Å; L200-L204 PolarHBondContact O-N 3.15Å; L200-V212 HydrophobicContact CB-CG1 4.26Å; L200-V212 HydrophobicContact CD2-CG2 4.37Å; L200-L224 HydrophobicContact CB-CD1 4.08Å; L200-L224 HydrophobicContact CB-CD2 3.64Å; L200-L224 HydrophobicContact CD1-CD2 3.77Å; L200-L224 HydrophobicContact CG-CD2 4.37Å
201	K	92.4	Very high	93.3	Very high	63 Å²	63	58.7 Å²	58.7	27%	0.274	30%	0.297	S	S	.	.	H	α-helix	trans	-60.2	-39.6	176	-171.7	175.3	171.7	-174.9	0	112.5	G197 E198 F199 K203 L224	G197-K201 WeakPolarHBondContact O-CB 3.18Å; G197-K201 PolarHBondContact O-N 3.09Å; E198-K201 PolarHBondContact O-N 3.49Å; E198-K201 WeakPolarHBondContact OE1-CD 3.49Å; E198-K201 IonicContact OE1-NZ 2.7Å; E198-K201 PolarHBondContact OE1-NZ 3.46Å; E198-K201 IonicContact OE2-NZ 3.29Å; F199-K201 VanDerWaalsContact C-N 3.32Å; F199-K201 PolarHBondContact O-N 2.96Å; K201-K203 VanDerWaalsContact C-N 3.33Å; K201-L224 HydrophobicContact CB-CD1 3.94Å
202	K	92.6	Very high	93.2	Very high	170 Å²	170	51.8 Å²	51.8	74%	0.739	27%	0.265	S	S	*	.	H	α-helix	trans	-72.8	-24	175.9	-71.4	173.7	-175.3	173.2	0	113.5	E198 F199 L200	E198-K202 WeakPolarHBondContact O-CG 3.5Å; E198-K202 PolarHBondContact O-N 3.4Å; E198-K202 VanDerWaalsContact O-N 3.15Å; F199-K202 PolarHBondContact O-N 3.42Å; L200-K202 VanDerWaalsContact C-N 3.32Å; L200-K202 PolarHBondContact O-N 2.95Å
203	K	91.6	Very high	93.2	Very high	119 Å²	119	52.6 Å²	52.6	52%	0.517	27%	0.269	S	S	.	.	H	α-helix	trans	-103.4	6.7	-178.5	-67	-63.8	-173.5	179.8	0	113.6	F199 L200 K201 S205 N208	F199-K203 HydrophobicContact CE1-CG 4.37Å; F199-K203 HydrophobicContact CZ-CG 4.33Å; F199-K203 PolarHBondContact O-N 3.35Å; L200-K203 CarbonylContact O-C 3.59Å; L200-K203 PolarHBondContact O-N 2.87Å; L200-K203 VanDerWaalsContact O-N 3.11Å; K201-K203 VanDerWaalsContact C-N 3.33Å; K203-S205 PolarHBondContact O-N 3.33Å; K203-N208 PolarHBondContact O-ND2 3.04Å
204	L	93.4	Very high	93.1	Very high	31 Å²	31	52.9 Å²	52.9	16%	0.162	27%	0.274	C	S	.	.			trans	-63.9	123.1	179.4	-174.5	69.6	0	0	0	110.8	L200 C209 V212 R227 A228 M231	L200-L204 PolarHBondContact O-N 3.15Å; L204-C209 HydrophobicContact CD1-CB 4.07Å; L204-V212 HydrophobicContact CD1-CB 4.02Å; L204-V212 HydrophobicContact CD1-CG1 3.88Å; L204-V212 HydrophobicContact CD1-CG2 4.42Å; L204-R227 HydrophobicContact CD2-CB 4.35Å; L204-A228 HydrophobicContact CD1-CB 4Å; L204-A228 HydrophobicContact CD2-CB 4.49Å; L204-M231 HydrophobicContact CD1-SD 4.45Å; L204-M231 HydrophobicContact CD2-CE 3.71Å; L204-M231 HydrophobicContact CD2-SD 4.21Å; L204-M231 HydrophobicContact CG-CE 3.71Å; L204-M231 HydrophobicContact CG-SD 3.85Å
205	S	93.1	Very high	93	Very high	41 Å²	41	49.7 Å²	49.7	29%	0.287	26%	0.257	S	S	.	.			trans	-136.3	164.1	178.8	66.4	0	0	0	0	110.5	K203 T207 N208 C209 M231	K203-S205 PolarHBondContact O-N 3.33Å; S205-T207 PolarHBondContact O-N 2.97Å; S205-T207 PolarHBondContact OG-OG1 3.18Å; S205-N208 PolarHBondContact N-OD1 2.94Å; S205-N208 PolarHBondContact O-N 3.5Å; S205-N208 PolarHBondContact O-OD1 3.11Å; S205-N208 PolarHBondContact OG-ND2 3.21Å; S205-N208 PolarHBondContact OG-OD1 2.77Å; S205-C209 VanDerWaalsContact O-CB 3.32Å; S205-C209 WeakPolarHBondContact O-CB 3.34Å; S205-C209 PolarHBondContact O-N 3.29Å; S205-M231 VanDerWaalsContact C-SD 3.51Å
206	L	91.1	Very high	93	Very high	60 Å²	60	44.8 Å²	44.8	31%	0.314	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-35.4	177.9	-177.4	61.2	0	0	0	112.3	C209 N235 K238 V239	L206-C209 PolarHBondContact O-SG 3.04Å; L206-N235 HydrophobicContact CD1-CB 3.4Å; L206-N235 VanDerWaalsContact CD1-CB 3.4Å; L206-K238 HydrophobicContact CD2-CD 3.97Å; L206-V239 HydrophobicContact CD1-CG2 4.33Å
207	T	90.3	Very high	92.9	Very high	126 Å²	126	49 Å²	49	77%	0.773	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-25.7	-179.2	52.7	0	0	0	0	114.3	S205	S205-T207 PolarHBondContact O-N 2.97Å; S205-T207 PolarHBondContact OG-OG1 3.18Å
208	N	91.3	Very high	92.7	Very high	47 Å²	47	53.9 Å²	53.9	25%	0.251	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-5.4	-177.7	71.4	21.4	0	0	0	113.6	K203 S205 V210 A211 V212	K203-N208 PolarHBondContact O-ND2 3.04Å; S205-N208 PolarHBondContact N-OD1 2.94Å; S205-N208 PolarHBondContact O-N 3.5Å; S205-N208 PolarHBondContact O-OD1 3.11Å; S205-N208 PolarHBondContact OG-ND2 3.21Å; S205-N208 PolarHBondContact OG-OD1 2.77Å; N208-V210 VanDerWaalsContact C-N 3.27Å; N208-V210 PolarHBondContact O-N 2.93Å; N208-A211 PolarHBondContact O-N 3.01Å; N208-V212 HydrophobicContact CB-CG2 4.26Å; N208-V212 VanDerWaalsContact O-CG2 3.32Å; N208-V212 WeakPolarHBondContact O-CG2 3.35Å; N208-V212 PolarHBondContact O-N 2.64Å
209	C	94.1	Very high	92.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.4	-36.7	-171	64.6	0	0	0	0	113.4	L204 S205 L206 H213 M231 I232	L204-C209 HydrophobicContact CD1-CB 4.07Å; S205-C209 VanDerWaalsContact O-CB 3.32Å; S205-C209 WeakPolarHBondContact O-CB 3.34Å; S205-C209 PolarHBondContact O-N 3.29Å; L206-C209 PolarHBondContact O-SG 3.04Å; C209-H213 WeakPolarHBondContact O-CB 3.41Å; C209-H213 PolarHBondContact O-N 3.17Å; C209-M231 HydrophobicContact CB-CB 4.48Å; C209-M231 HydrophobicContact CB-CG 4.21Å; C209-M231 HydrophobicContact CB-SD 3.92Å; C209-I232 HydrophobicContact CB-CG1 4.04Å
210	V	93.9	Very high	92.5	Very high	11 Å²	11	53.4 Å²	53.4	7%	0.067	28%	0.281	C	S	.	.	H	α-helix	trans	-64.6	-50	177.9	-179.5	0	0	0	0	111.4	N208 H213 S214 V239 E244 L248	N208-V210 VanDerWaalsContact C-N 3.27Å; N208-V210 PolarHBondContact O-N 2.93Å; V210-H213 PolarHBondContact O-N 3.31Å; V210-S214 PolarHBondContact O-N 3.36Å; V210-V239 HydrophobicContact CG2-CG1 3.42Å; V210-V239 VanDerWaalsContact CG2-CG1 3.42Å; V210-V239 HydrophobicContact CG2-CG2 4.44Å; V210-E244 HydrophobicContact CB-CG 4.18Å; V210-E244 HydrophobicContact CG1-CG 4.13Å; V210-L248 HydrophobicContact CG1-CD1 3.96Å; V210-L248 HydrophobicContact CG1-CD2 3.72Å; V210-L248 HydrophobicContact CG1-CG 3.95Å
211	A	91.2	Very high	92.4	Very high	40 Å²	40	53.6 Å²	53.6	33%	0.331	28%	0.282	S	S	.	.	H	α-helix	trans	-64.4	-44.4	178.4	0	0	0	0	0	111.4	N208 H213 S214 L215	N208-A211 PolarHBondContact O-N 3.01Å; A211-H213 VanDerWaalsContact C-N 3.33Å; A211-H213 PolarHBondContact O-N 3.05Å; A211-S214 WeakPolarHBondContact O-CB 3.38Å; A211-S214 PolarHBondContact O-N 2.96Å; A211-L215 WeakPolarHBondContact O-CG 3.42Å; A211-L215 PolarHBondContact O-N 3.39Å
212	V	92.9	Very high	92.3	Very high	7 Å²	7	56.3 Å²	56.3	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-63	-39.9	177.1	175.7	0	0	0	0	111.2	L200 L204 N208 L215 A216 L224 A228	L200-V212 HydrophobicContact CB-CG1 4.26Å; L200-V212 HydrophobicContact CD2-CG2 4.37Å; L204-V212 HydrophobicContact CD1-CB 4.02Å; L204-V212 HydrophobicContact CD1-CG1 3.88Å; L204-V212 HydrophobicContact CD1-CG2 4.42Å; N208-V212 HydrophobicContact CB-CG2 4.26Å; N208-V212 VanDerWaalsContact O-CG2 3.32Å; N208-V212 WeakPolarHBondContact O-CG2 3.35Å; N208-V212 PolarHBondContact O-N 2.64Å; V212-L215 PolarHBondContact O-N 2.83Å; V212-A216 VanDerWaalsContact O-CB 3.24Å; V212-A216 WeakPolarHBondContact O-CB 3.43Å; V212-A216 PolarHBondContact O-N 3.19Å; V212-L224 HydrophobicContact CG1-CD1 3.81Å; V212-L224 HydrophobicContact CG1-CD2 3.96Å; V212-L224 HydrophobicContact CG1-CG 3.95Å; V212-A228 HydrophobicContact CG1-CB 4.46Å
213	H	95	Very high	92.3	Very high	19 Å²	19	54.5 Å²	54.5	9%	0.088	29%	0.294	C	S	.	.	H	α-helix	trans	-63.7	-43.6	174.6	179.2	-93.5	0	0	0	111.9	C209 V210 A211 A216 H217 A228 I232 W256	C209-H213 WeakPolarHBondContact O-CB 3.41Å; C209-H213 PolarHBondContact O-N 3.17Å; V210-H213 PolarHBondContact O-N 3.31Å; A211-H213 VanDerWaalsContact C-N 3.33Å; A211-H213 PolarHBondContact O-N 3.05Å; H213-A216 PolarHBondContact O-N 3.03Å; H213-H217 WeakPolarHBondContact O-CB 3.42Å; H213-H217 PolarHBondContact O-N 3.45Å; H213-A228 HydrophobicContact CB-CB 3.82Å; H213-I232 HydrophobicContact CB-CD1 3.53Å; H213-W256 AromaticContact CE1-CZ2 3.62Å; H213-W256 AromaticContact ND1-CZ2 3.93Å; H213-W256 AromaticContact NE2-CZ2 3.68Å
214	S	92.7	Very high	92.4	Very high	28 Å²	28	49.1 Å²	49.1	20%	0.196	27%	0.271	C	S	.	.	H	α-helix	trans	-59.7	-47.3	176.5	-171.4	0	0	0	0	111.6	V210 A211 H217 M218	V210-S214 PolarHBondContact O-N 3.36Å; A211-S214 WeakPolarHBondContact O-CB 3.38Å; A211-S214 PolarHBondContact O-N 2.96Å; S214-H217 PolarHBondContact O-N 2.81Å; S214-M218 WeakPolarHBondContact O-CB 3.37Å; S214-M218 PolarHBondContact O-N 2.83Å
215	L	91.6	Very high	92.4	Very high	37 Å²	37	48.4 Å²	48.4	19%	0.194	27%	0.269	C	S	.	.	H	α-helix	trans	-63	-44.4	175.8	-68.8	171.2	0	0	0	112	H178 A211 V212 H217 M218 Y219	H178-L215 HydrophobicContact CB-CD1 4.16Å; H178-L215 HydrophobicContact CB-CD2 4.33Å; A211-L215 WeakPolarHBondContact O-CG 3.42Å; A211-L215 PolarHBondContact O-N 3.39Å; V212-L215 PolarHBondContact O-N 2.83Å; L215-H217 VanDerWaalsContact C-N 3.29Å; L215-H217 PolarHBondContact O-N 2.8Å; L215-M218 PolarHBondContact O-N 3.3Å; L215-Y219 HydrophobicContact CD2-CD2 4.43Å; L215-Y219 HydrophobicContact CD2-CE2 3.85Å; L215-Y219 VanDerWaalsContact O-CD2 3.25Å; L215-Y219 WeakPolarHBondContact O-CD2 3.32Å; L215-Y219 PolarHBondContact O-N 3Å
216	A	94.1	Very high	92.4	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-63.3	-37.1	179.7	0	0	0	0	0	112	V212 H213 T220 L221 L224 A225	V212-A216 VanDerWaalsContact O-CB 3.24Å; V212-A216 WeakPolarHBondContact O-CB 3.43Å; V212-A216 PolarHBondContact O-N 3.19Å; H213-A216 PolarHBondContact O-N 3.03Å; A216-T220 PolarHBondContact O-N 2.75Å; A216-T220 VanDerWaalsContact O-N 3.15Å; A216-L221 HydrophobicContact CB-CB 4.13Å; A216-L221 PolarHBondContact O-N 2.94Å; A216-L224 HydrophobicContact CB-CB 4.06Å; A216-L224 HydrophobicContact CB-CD2 3.91Å; A216-L224 HydrophobicContact CB-CG 3.84Å; A216-A225 HydrophobicContact CB-CB 3.84Å
217	H	92.4	Very high	92.5	Very high	88 Å²	88	56.5 Å²	56.5	41%	0.407	30%	0.297	S	S	.	.	H	α-helix	trans	-69.9	-45	174.9	-168	73.2	0	0	0	111.7	H213 S214 L215 Y219 T220 L252	H213-H217 WeakPolarHBondContact O-CB 3.42Å; H213-H217 PolarHBondContact O-N 3.45Å; S214-H217 PolarHBondContact O-N 2.81Å; L215-H217 VanDerWaalsContact C-N 3.29Å; L215-H217 PolarHBondContact O-N 2.8Å; H217-Y219 PolarHBondContact O-N 3.49Å; H217-T220 PolarHBondContact O-N 3.34Å; H217-L252 HydrophobicContact CB-CD2 4.42Å
218	M	89.7	Confident	92.8	Very high	112 Å²	112	50.5 Å²	50.5	55%	0.552	26%	0.26	S	S	*	.	H	α-helix	trans	-60	-43.2	179.7	-173.8	178.1	-64.3	0	0	112.3	S214 L215	S214-M218 WeakPolarHBondContact O-CB 3.37Å; S214-M218 PolarHBondContact O-N 2.83Å; L215-M218 PolarHBondContact O-N 3.3Å
219	Y	91.1	Very high	92.9	Very high	15 Å²	15	48.5 Å²	48.5	6%	0.059	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	20.8	-177.8	-58	-65.6	0	0	0	113.6	L181 E182 D185 K193 L215 H217 L221	L181-Y219 HydrophobicContact CD2-CD2 3.47Å; L181-Y219 VanDerWaalsContact CD2-CD2 3.47Å; L181-Y219 HydrophobicContact CD2-CE2 4.15Å; L181-Y219 HydrophobicContact CD2-CG 4.11Å; L181-Y219 HydrophobicContact CG-CD2 3.64Å; L181-Y219 HydrophobicContact CG-CE2 4.18Å; L181-Y219 HydrophobicContact CG-CG 3.94Å; E182-Y219 HydrophobicContact CB-CE1 4.18Å; E182-Y219 WeakPolarHBondContact CB-OH 3.36Å; E182-Y219 HydrophobicContact CG-CE1 4.23Å; E182-Y219 VanDerWaalsContact CG-OH 3.25Å; E182-Y219 WeakPolarHBondContact CG-OH 3.49Å; D185-Y219 HydrophobicContact CB-CD1 3.75Å; D185-Y219 HydrophobicContact CB-CE1 4.36Å; K193-Y219 WeakPolarHBondContact CE-O 3.08Å; K193-Y219 PolarHBondContact NZ-O 3.39Å; L215-Y219 HydrophobicContact CD2-CD2 4.43Å; L215-Y219 HydrophobicContact CD2-CE2 3.85Å; L215-Y219 VanDerWaalsContact O-CD2 3.25Å; L215-Y219 WeakPolarHBondContact O-CD2 3.32Å; L215-Y219 PolarHBondContact O-N 3Å; H217-Y219 PolarHBondContact O-N 3.49Å; Y219-L221 VanDerWaalsContact C-N 3.34Å; Y219-L221 PolarHBondContact O-N 3.45Å
220	T	93.2	Very high	92.8	Very high	94 Å²	94	51.6 Å²	51.6	58%	0.577	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	44.9	173.7	54.7	0	0	0	0	114.7	K193 A216 H217 D222	K193-T220 PolarHBondContact NZ-OG1 3.21Å; A216-T220 PolarHBondContact O-N 2.75Å; A216-T220 VanDerWaalsContact O-N 3.15Å; H217-T220 PolarHBondContact O-N 3.34Å; T220-D222 PolarHBondContact O-N 3.38Å
221	L	93.1	Very high	92.8	Very high	16 Å²	16	53.5 Å²	53.5	8%	0.084	28%	0.276	C	S	.	.			trans	-94.8	76.2	175.4	-64.9	174.9	0	0	0	111	L181 K193 A216 Y219 Q223 L224 A225	L181-L221 HydrophobicContact CD1-CD1 4.02Å; L181-L221 HydrophobicContact CD2-CD1 3.8Å; K193-L221 HydrophobicContact CD-CD2 4.46Å; K193-L221 HydrophobicContact CG-CD2 3.9Å; A216-L221 HydrophobicContact CB-CB 4.13Å; A216-L221 PolarHBondContact O-N 2.94Å; Y219-L221 VanDerWaalsContact C-N 3.34Å; Y219-L221 PolarHBondContact O-N 3.45Å; L221-Q223 PolarHBondContact O-N 3.29Å; L221-L224 HydrophobicContact CB-CB 4.03Å; L221-L224 HydrophobicContact CB-CD2 4.47Å; L221-L224 HydrophobicContact CD1-CD2 3.84Å; L221-L224 PolarHBondContact O-N 2.95Å; L221-L224 VanDerWaalsContact O-N 3.09Å; L221-A225 WeakPolarHBondContact O-CB 3.24Å; L221-A225 PolarHBondContact O-N 2.72Å
222	D	91.1	Very high	93	Very high	120 Å²	120	51.7 Å²	51.7	64%	0.642	26%	0.26	S	S	*	.	H	α-helix	trans	-55.5	-44.8	-169.1	-63.5	-31.2	0	0	0	114.4	T220 L224 A225 L226	T220-D222 PolarHBondContact O-N 3.38Å; D222-L224 VanDerWaalsContact C-N 3.33Å; D222-L224 PolarHBondContact O-N 2.95Å; D222-A225 PolarHBondContact O-N 3.49Å; D222-L226 WeakPolarHBondContact O-CB 3.46Å; D222-L226 WeakPolarHBondContact O-CG 3.35Å; D222-L226 PolarHBondContact O-N 2.93Å
223	Q	91.9	Very high	93	Very high	133 Å²	133	54.4 Å²	54.4	62%	0.621	27%	0.27	S	S	*	.	H	α-helix	trans	-65.3	-37.8	-179.8	-66.4	-167.6	15.5	0	0	112.5	L221 R227	L221-Q223 PolarHBondContact O-N 3.29Å; Q223-R227 WeakPolarHBondContact O-CG 3.43Å; Q223-R227 PolarHBondContact O-N 3.33Å
224	L	94.1	Very high	92.7	Very high	6 Å²	6	61.8 Å²	61.8	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-72.1	-42.9	177.5	-179.8	62.8	0	0	0	110.2	L200 K201 V212 A216 L221 D222 L226 R227 A228	L200-L224 HydrophobicContact CB-CD1 4.08Å; L200-L224 HydrophobicContact CB-CD2 3.64Å; L200-L224 HydrophobicContact CD1-CD2 3.77Å; L200-L224 HydrophobicContact CG-CD2 4.37Å; K201-L224 HydrophobicContact CB-CD1 3.94Å; V212-L224 HydrophobicContact CG1-CD1 3.81Å; V212-L224 HydrophobicContact CG1-CD2 3.96Å; V212-L224 HydrophobicContact CG1-CG 3.95Å; A216-L224 HydrophobicContact CB-CB 4.06Å; A216-L224 HydrophobicContact CB-CD2 3.91Å; A216-L224 HydrophobicContact CB-CG 3.84Å; L221-L224 HydrophobicContact CB-CB 4.03Å; L221-L224 HydrophobicContact CB-CD2 4.47Å; L221-L224 HydrophobicContact CD1-CD2 3.84Å; L221-L224 PolarHBondContact O-N 2.95Å; L221-L224 VanDerWaalsContact O-N 3.09Å; D222-L224 VanDerWaalsContact C-N 3.33Å; D222-L224 PolarHBondContact O-N 2.95Å; L224-L226 PolarHBondContact O-N 3.25Å; L224-R227 PolarHBondContact O-N 2.82Å; L224-A228 WeakPolarHBondContact O-CB 3.47Å; L224-A228 PolarHBondContact O-N 3.4Å
225	A	93.3	Very high	92.6	Very high	15 Å²	15	62.3 Å²	62.3	12%	0.124	30%	0.298	C	S	.	.	H	α-helix	trans	-58.9	-46.9	177.3	0	0	0	0	0	111.1	A216 L221 D222 R227 A228 A229	A216-A225 HydrophobicContact CB-CB 3.84Å; L221-A225 WeakPolarHBondContact O-CB 3.24Å; L221-A225 PolarHBondContact O-N 2.72Å; D222-A225 PolarHBondContact O-N 3.49Å; A225-R227 PolarHBondContact O-N 2.64Å; A225-A228 PolarHBondContact O-N 2.89Å; A225-A229 WeakPolarHBondContact O-CB 3.46Å; A225-A229 PolarHBondContact O-N 3.37Å
226	L	93.4	Very high	92.7	Very high	111 Å²	111	60.6 Å²	60.6	58%	0.581	29%	0.289	S	S	*	.	H	α-helix	trans	-59.8	-45.3	176.3	-74.3	169.4	0	0	0	112.5	D222 L224 A229 D230	D222-L226 WeakPolarHBondContact O-CB 3.46Å; D222-L226 WeakPolarHBondContact O-CG 3.35Å; D222-L226 PolarHBondContact O-N 2.93Å; L224-L226 PolarHBondContact O-N 3.25Å; L226-A229 PolarHBondContact O-N 3.21Å; L226-D230 PolarHBondContact O-N 3.39Å
227	R	93.1	Very high	92.5	Very high	160 Å²	160	62.9 Å²	62.9	60%	0.604	30%	0.299	S	S	*	.	H	α-helix	trans	-67.6	-42.1	179.8	-73	-70.6	-176.2	152.2	-0.6	112.6	L204 Q223 L224 A225 A229 M231	L204-R227 HydrophobicContact CD2-CB 4.35Å; Q223-R227 WeakPolarHBondContact O-CG 3.43Å; Q223-R227 PolarHBondContact O-N 3.33Å; L224-R227 PolarHBondContact O-N 2.82Å; A225-R227 PolarHBondContact O-N 2.64Å; R227-A229 VanDerWaalsContact C-N 3.34Å; R227-M231 PolarHBondContact O-N 3.22Å
228	A	95.3	Very high	92.4	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.7	-40.8	175	0	0	0	0	0	110.7	L204 V212 H213 L224 A225 D230 M231 I232	L204-A228 HydrophobicContact CD1-CB 4Å; L204-A228 HydrophobicContact CD2-CB 4.49Å; V212-A228 HydrophobicContact CG1-CB 4.46Å; H213-A228 HydrophobicContact CB-CB 3.82Å; L224-A228 WeakPolarHBondContact O-CB 3.47Å; L224-A228 PolarHBondContact O-N 3.4Å; A225-A228 PolarHBondContact O-N 2.89Å; A228-D230 PolarHBondContact O-N 3.26Å; A228-M231 PolarHBondContact O-N 2.85Å; A228-I232 WeakPolarHBondContact O-CG1 3.37Å; A228-I232 PolarHBondContact O-N 2.81Å
229	A	94.4	Very high	92.6	Very high	6 Å²	6	58 Å²	58	5%	0.05	27%	0.274	C	S	.	.	H	α-helix	trans	-62.7	-44.2	177.5	0	0	0	0	0	112	A225 L226 R227 M231 I232 R233 W256	A225-A229 WeakPolarHBondContact O-CB 3.46Å; A225-A229 PolarHBondContact O-N 3.37Å; L226-A229 PolarHBondContact O-N 3.21Å; R227-A229 VanDerWaalsContact C-N 3.34Å; A229-M231 VanDerWaalsContact C-N 3.29Å; A229-M231 PolarHBondContact O-N 2.77Å; A229-I232 PolarHBondContact O-N 2.99Å; A229-R233 WeakPolarHBondContact O-CB 3.41Å; A229-R233 VanDerWaalsContact O-CG 3.29Å; A229-R233 WeakPolarHBondContact O-CG 3.32Å; A229-R233 PolarHBondContact O-N 2.91Å; A229-W256 HydrophobicContact CB-CH2 3.83Å; A229-W256 HydrophobicContact CB-CZ2 4.46Å
230	D	92.4	Very high	92.7	Very high	64 Å²	64	57.7 Å²	57.7	34%	0.342	27%	0.273	S	S	.	.	H	α-helix	trans	-62.1	-35.9	175.9	-81.4	-8.9	0	0	0	112.8	L226 A228 R233 R234	L226-D230 PolarHBondContact O-N 3.39Å; A228-D230 PolarHBondContact O-N 3.26Å; D230-R233 IonicContact OD1-CZ 3.57Å; D230-R233 IonicContact OD1-NH1 3.94Å; D230-R233 PolarHBondContact OD1-NH1 3.02Å; D230-R234 VanDerWaalsContact O-CG 3.26Å; D230-R234 WeakPolarHBondContact O-CG 3.23Å; D230-R234 PolarHBondContact O-N 3.16Å
231	M	92.7	Very high	92.6	Very high	52 Å²	52	60.2 Å²	60.2	26%	0.256	28%	0.278	S	S	.	.	H	α-helix	trans	-67.5	-42.8	175	-173.7	173.3	-68.6	0	0	111.6	L204 S205 C209 R227 A228 A229 N235	L204-M231 HydrophobicContact CD1-SD 4.45Å; L204-M231 HydrophobicContact CD2-CE 3.71Å; L204-M231 HydrophobicContact CD2-SD 4.21Å; L204-M231 HydrophobicContact CG-CE 3.71Å; L204-M231 HydrophobicContact CG-SD 3.85Å; S205-M231 VanDerWaalsContact C-SD 3.51Å; C209-M231 HydrophobicContact CB-CB 4.48Å; C209-M231 HydrophobicContact CB-CG 4.21Å; C209-M231 HydrophobicContact CB-SD 3.92Å; R227-M231 PolarHBondContact O-N 3.22Å; A228-M231 PolarHBondContact O-N 2.85Å; A229-M231 VanDerWaalsContact C-N 3.29Å; A229-M231 PolarHBondContact O-N 2.77Å; M231-N235 PolarHBondContact O-N 3.22Å; M231-N235 PolarHBondContact O-ND2 3.22Å
232	I	94.9	Very high	92.6	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-63.6	-48.2	175.6	-68.3	165	0	0	0	110.3	C209 H213 A228 A229 R234 N235 F236 W256	C209-I232 HydrophobicContact CB-CG1 4.04Å; H213-I232 HydrophobicContact CB-CD1 3.53Å; A228-I232 WeakPolarHBondContact O-CG1 3.37Å; A228-I232 PolarHBondContact O-N 2.81Å; A229-I232 PolarHBondContact O-N 2.99Å; I232-R234 VanDerWaalsContact C-N 3.32Å; I232-R234 PolarHBondContact O-N 2.78Å; I232-N235 CarbonylContact O-C 3.5Å; I232-N235 PolarHBondContact O-N 2.8Å; I232-N235 VanDerWaalsContact O-N 3.13Å; I232-F236 HydrophobicContact CG2-CD2 3.69Å; I232-F236 HydrophobicContact CG2-CE2 4.12Å; I232-F236 VanDerWaalsContact O-CA 3.27Å; I232-F236 WeakPolarHBondContact O-CA 3.38Å; I232-F236 WeakPolarHBondContact O-CB 3.41Å; I232-F236 PolarHBondContact O-N 3.37Å; I232-W256 HydrophobicContact CB-CH2 3.71Å; I232-W256 HydrophobicContact CB-CZ2 3.9Å; I232-W256 HydrophobicContact CB-CZ3 4.38Å; I232-W256 HydrophobicContact CD1-CH2 4.21Å; I232-W256 HydrophobicContact CD1-CZ2 3.6Å; I232-W256 HydrophobicContact CG1-CZ2 4.36Å; I232-W256 HydrophobicContact CG2-CD2 4.28Å; I232-W256 HydrophobicContact CG2-CE3 4.22Å; I232-W256 HydrophobicContact CG2-CH2 3.53Å; I232-W256 HydrophobicContact CG2-CZ2 3.56Å; I232-W256 HydrophobicContact CG2-CZ3 3.87Å
233	R	92.8	Very high	92.5	Very high	63 Å²	63	63.1 Å²	63.1	24%	0.238	29%	0.29	C	S	.	.	H	α-helix	trans	-53	-48.2	178.3	-76	174.2	-176.3	131.1	5.3	112.1	A229 D230 N235 W256 D259 I262 T263	A229-R233 WeakPolarHBondContact O-CB 3.41Å; A229-R233 VanDerWaalsContact O-CG 3.29Å; A229-R233 WeakPolarHBondContact O-CG 3.32Å; A229-R233 PolarHBondContact O-N 2.91Å; D230-R233 IonicContact OD1-CZ 3.57Å; D230-R233 IonicContact OD1-NH1 3.94Å; D230-R233 PolarHBondContact OD1-NH1 3.02Å; R233-N235 VanDerWaalsContact C-N 3.29Å; R233-N235 PolarHBondContact O-N 3.24Å; R233-W256 HydrophobicContact CG-CH2 4.44Å; R233-W256 HydrophobicContact CG-CZ3 3.83Å; R233-D259 IonicContact CZ-OD2 3.85Å; R233-D259 IonicContact NE-OD1 2.83Å; R233-D259 IonicContact NE-OD2 2.76Å; R233-D259 PolarHBondContact NE-OD2 3.32Å; R233-D259 IonicContact NH2-OD2 2.92Å; R233-D259 PolarHBondContact NH2-OD2 3.24Å; R233-I262 HydrophobicContact CG-CG2 4.48Å; R233-T263 WeakPolarHBondContact O-CB 3.43Å; R233-T263 WeakPolarHBondContact O-CG2 3.21Å; R233-T263 PolarHBondContact O-N 2.81Å; R233-T263 PolarHBondContact O-OG1 2.96Å
234	R	89.1	Confident	92.5	Very high	174 Å²	174	61.2 Å²	61.2	66%	0.657	28%	0.281	S	S	*	.	H	α-helix	trans	-69.1	-25.6	-177	-70.6	172.5	-171.6	-137.3	1.8	113.6	D230 I232 T263	D230-R234 VanDerWaalsContact O-CG 3.26Å; D230-R234 WeakPolarHBondContact O-CG 3.23Å; D230-R234 PolarHBondContact O-N 3.16Å; I232-R234 VanDerWaalsContact C-N 3.32Å; I232-R234 PolarHBondContact O-N 2.78Å; R234-T263 PolarHBondContact O-OG1 3.14Å
235	N	90.9	Very high	92.5	Very high	40 Å²	40	61.2 Å²	61.2	21%	0.214	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	25.4	-175.5	-58.5	-80.7	0	0	0	112	L206 M231 I232 R233 H237 K238 V239	L206-N235 HydrophobicContact CD1-CB 3.4Å; L206-N235 VanDerWaalsContact CD1-CB 3.4Å; M231-N235 PolarHBondContact O-N 3.22Å; M231-N235 PolarHBondContact O-ND2 3.22Å; I232-N235 CarbonylContact O-C 3.5Å; I232-N235 PolarHBondContact O-N 2.8Å; I232-N235 VanDerWaalsContact O-N 3.13Å; R233-N235 VanDerWaalsContact C-N 3.29Å; R233-N235 PolarHBondContact O-N 3.24Å; N235-H237 VanDerWaalsContact C-N 3.27Å; N235-H237 PolarHBondContact O-N 2.96Å; N235-K238 WeakPolarHBondContact O-CA 3.48Å; N235-K238 WeakPolarHBondContact O-CB 3.27Å; N235-K238 PolarHBondContact O-N 3.22Å; N235-V239 WeakPolarHBondContact O-CG2 3.29Å; N235-V239 PolarHBondContact O-N 2.84Å
236	F	93.6	Very high	92.5	Very high	1 Å²	1	60.9 Å²	60.9	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-38.9	-170.3	-162.1	-105.6	0	0	0	111.5	I232 K238 V239 I240 F245 W256 I262 V264 L270	I232-F236 HydrophobicContact CG2-CD2 3.69Å; I232-F236 HydrophobicContact CG2-CE2 4.12Å; I232-F236 VanDerWaalsContact O-CA 3.27Å; I232-F236 WeakPolarHBondContact O-CA 3.38Å; I232-F236 WeakPolarHBondContact O-CB 3.41Å; I232-F236 PolarHBondContact O-N 3.37Å; F236-K238 PolarHBondContact O-N 3.5Å; F236-K238 VanDerWaalsContact O-N 3.15Å; F236-V239 PolarHBondContact O-N 3.45Å; F236-V239 VanDerWaalsContact O-N 3.13Å; F236-I240 HydrophobicContact CD1-CD1 3.25Å; F236-I240 HydrophobicContact CD1-CG1 3.85Å; F236-I240 HydrophobicContact CE1-CD1 3.25Å; F236-I240 HydrophobicContact CE1-CG1 3.65Å; F236-I240 HydrophobicContact CG-CD1 4.2Å; F236-I240 HydrophobicContact CG-CG1 4.47Å; F236-I240 HydrophobicContact CZ-CD1 4.19Å; F236-I240 HydrophobicContact CZ-CG1 4.11Å; F236-I240 WeakPolarHBondContact O-CD1 3.47Å; F236-I240 WeakPolarHBondContact O-CG1 3.14Å; F236-I240 PolarHBondContact O-N 2.9Å; F236-F245 AromaticContact CE2-CE2 3.86Å; F236-F245 HydrophobicContact CE2-CE2 3.86Å; F236-F245 HydrophobicContact CE2-CZ 4.4Å; F236-F245 AromaticContact CZ-CE2 3.86Å; F236-F245 HydrophobicContact CZ-CE2 3.86Å; F236-F245 AromaticContact CZ-CZ 3.92Å; F236-F245 HydrophobicContact CZ-CZ 3.92Å; F236-W256 HydrophobicContact CD2-CE3 4.47Å; F236-W256 HydrophobicContact CE2-CB 4.12Å; F236-W256 HydrophobicContact CE2-CD2 4.05Å; F236-W256 HydrophobicContact CE2-CE3 4.08Å; F236-W256 HydrophobicContact CE2-CG 4.07Å; F236-W256 HydrophobicContact CZ-CB 4.09Å; F236-I262 HydrophobicContact CB-CB 4.19Å; F236-I262 HydrophobicContact CD1-CB 4.02Å; F236-I262 HydrophobicContact CD1-CD1 3.97Å; F236-I262 HydrophobicContact CD1-CG1 4.45Å; F236-I262 HydrophobicContact CD1-CG2 4.43Å; F236-I262 HydrophobicContact CD2-CB 4.46Å; F236-I262 HydrophobicContact CD2-CG2 4.16Å; F236-I262 HydrophobicContact CE1-CD1 3.8Å; F236-I262 HydrophobicContact CE2-CG2 4.4Å; F236-I262 HydrophobicContact CG-CB 3.98Å; F236-I262 HydrophobicContact CG-CG2 4.18Å; F236-I262 HydrophobicContact CZ-CD1 4.43Å; F236-V264 HydrophobicContact CD1-CG1 3.62Å; F236-V264 HydrophobicContact CE1-CG1 4.35Å; F236-L270 HydrophobicContact CD1-CD2 4.27Å; F236-L270 HydrophobicContact CE1-CD2 3.65Å
237	H	89.8	Confident	92.5	Very high	48 Å²	48	59.4 Å²	59.4	22%	0.222	27%	0.272	C	S	.	.	H	α-helix	trans	-52.7	-29.5	170.8	64	-79.3	0	0	0	114.9	N235 Q241 T263	N235-H237 VanDerWaalsContact C-N 3.27Å; N235-H237 PolarHBondContact O-N 2.96Å; H237-Q241 WeakPolarHBondContact O-CG 3.17Å; H237-Q241 PolarHBondContact O-NE2 2.75Å; H237-T263 PolarHBondContact N-O 2.96Å; H237-T263 VanDerWaalsContact N-O 3.08Å
238	K	91.4	Very high	92.5	Very high	98 Å²	98	52 Å²	52	43%	0.426	25%	0.245	S	C	.	.	H	α-helix	trans	-87.1	-43.6	173.9	-65.8	177.5	-177.3	178.6	0	111.4	L206 N235 F236 I240 Q241	L206-K238 HydrophobicContact CD2-CD 3.97Å; N235-K238 WeakPolarHBondContact O-CA 3.48Å; N235-K238 WeakPolarHBondContact O-CB 3.27Å; N235-K238 PolarHBondContact O-N 3.22Å; F236-K238 PolarHBondContact O-N 3.5Å; F236-K238 VanDerWaalsContact O-N 3.15Å; K238-I240 VanDerWaalsContact C-N 3.27Å; K238-I240 PolarHBondContact O-N 3.27Å; K238-Q241 VanDerWaalsContact O-CB 3.31Å; K238-Q241 WeakPolarHBondContact O-CB 3.5Å; K238-Q241 PolarHBondContact O-N 3.35Å
239	V	93.6	Very high	92.4	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-58.2	-37.6	-178.6	170.7	0	0	0	0	112.4	L206 V210 N235 F236 Q241 D242 F245	L206-V239 HydrophobicContact CD1-CG2 4.33Å; V210-V239 HydrophobicContact CG2-CG1 3.42Å; V210-V239 VanDerWaalsContact CG2-CG1 3.42Å; V210-V239 HydrophobicContact CG2-CG2 4.44Å; N235-V239 WeakPolarHBondContact O-CG2 3.29Å; N235-V239 PolarHBondContact O-N 2.84Å; F236-V239 PolarHBondContact O-N 3.45Å; F236-V239 VanDerWaalsContact O-N 3.13Å; V239-Q241 PolarHBondContact O-N 3.48Å; V239-D242 PolarHBondContact O-N 2.96Å; V239-F245 HydrophobicContact CG1-CB 4.18Å; V239-F245 HydrophobicContact CG1-CD2 3.88Å; V239-F245 HydrophobicContact CG1-CG 4.37Å; V239-F245 WeakPolarHBondContact O-CB 3.39Å
240	I	92.5	Very high	92.4	Very high	8 Å²	8	55.7 Å²	55.7	4%	0.041	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-22.3	176.9	-64.6	159.4	0	0	0	112.5	F236 K238 D242 Y246 V264 V269 L270 A273	F236-I240 HydrophobicContact CD1-CD1 3.25Å; F236-I240 HydrophobicContact CD1-CG1 3.85Å; F236-I240 HydrophobicContact CE1-CD1 3.25Å; F236-I240 HydrophobicContact CE1-CG1 3.65Å; F236-I240 HydrophobicContact CG-CD1 4.2Å; F236-I240 HydrophobicContact CG-CG1 4.47Å; F236-I240 HydrophobicContact CZ-CD1 4.19Å; F236-I240 HydrophobicContact CZ-CG1 4.11Å; F236-I240 WeakPolarHBondContact O-CD1 3.47Å; F236-I240 WeakPolarHBondContact O-CG1 3.14Å; F236-I240 PolarHBondContact O-N 2.9Å; K238-I240 VanDerWaalsContact C-N 3.27Å; K238-I240 PolarHBondContact O-N 3.27Å; I240-D242 VanDerWaalsContact C-N 3.35Å; I240-Y246 WeakPolarHBondContact O-CE2 3.48Å; I240-Y246 VanDerWaalsContact O-CZ 3.29Å; I240-Y246 PolarHBondContact O-OH 2.95Å; I240-V264 HydrophobicContact CD1-CG1 4.33Å; I240-V269 HydrophobicContact CD1-CG1 4.38Å; I240-L270 HydrophobicContact CD1-CD2 4Å; I240-A273 HydrophobicContact CG2-CB 3.56Å
241	Q	91.4	Very high	92.4	Very high	147 Å²	147	56.2 Å²	56.2	69%	0.687	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-24.3	178.5	-57.2	176	17.4	0	0	111.5	H237 K238 V239	H237-Q241 WeakPolarHBondContact O-CG 3.17Å; H237-Q241 PolarHBondContact O-NE2 2.75Å; K238-Q241 VanDerWaalsContact O-CB 3.31Å; K238-Q241 WeakPolarHBondContact O-CB 3.5Å; K238-Q241 PolarHBondContact O-N 3.35Å; V239-Q241 PolarHBondContact O-N 3.48Å
242	D	92.3	Very high	92.5	Very high	77 Å²	77	53.9 Å²	53.9	41%	0.412	25%	0.253	S	S	.	.	S	Bend	trans	-80.4	140	179.9	-66	-27.1	0	0	0	111.6	V239 I240 E244 F245	V239-D242 PolarHBondContact O-N 2.96Å; I240-D242 VanDerWaalsContact C-N 3.35Å; D242-E244 PolarHBondContact O-N 2.92Å; D242-F245 PolarHBondContact O-N 3.11Å
243	E	90.4	Very high	92.5	Very high	119 Å²	119	54 Å²	54	56%	0.556	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-63.3	-24.7	-179.8	-76	-70.6	141.9	0	0	113.2	F245 Y246 K280	E243-F245 VanDerWaalsContact C-N 3.29Å; E243-F245 PolarHBondContact O-N 2.78Å; E243-Y246 PolarHBondContact O-N 3.39Å; E243-Y246 VanDerWaalsContact O-N 3.08Å; E243-K280 IonicContact OE2-NZ 2.91Å; E243-K280 PolarHBondContact OE2-NZ 3.32Å
244	E	90.8	Very high	92.7	Very high	93 Å²	93	54.9 Å²	54.9	44%	0.435	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-61.7	-33.9	-179.4	-166.4	63.3	-124.6	0	0	112.2	V210 D242 Y246 T247	V210-E244 HydrophobicContact CB-CG 4.18Å; V210-E244 HydrophobicContact CG1-CG 4.13Å; D242-E244 PolarHBondContact O-N 2.92Å; E244-Y246 PolarHBondContact O-N 3.28Å; E244-T247 PolarHBondContact O-N 3.11Å; E244-T247 PolarHBondContact O-OG1 3.19Å; E244-T247 PolarHBondContact OE1-OG1 3.13Å; E244-T247 VanDerWaalsContact OE1-OG1 3.09Å
245	F	93.8	Very high	92.9	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.026	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-61.7	-32.1	176.6	-179.8	-97.3	0	0	0	111.8	F236 V239 D242 E243 T247 L248	F236-F245 AromaticContact CE2-CE2 3.86Å; F236-F245 HydrophobicContact CE2-CE2 3.86Å; F236-F245 HydrophobicContact CE2-CZ 4.4Å; F236-F245 AromaticContact CZ-CE2 3.86Å; F236-F245 HydrophobicContact CZ-CE2 3.86Å; F236-F245 AromaticContact CZ-CZ 3.92Å; F236-F245 HydrophobicContact CZ-CZ 3.92Å; V239-F245 HydrophobicContact CG1-CB 4.18Å; V239-F245 HydrophobicContact CG1-CD2 3.88Å; V239-F245 HydrophobicContact CG1-CG 4.37Å; V239-F245 WeakPolarHBondContact O-CB 3.39Å; D242-F245 PolarHBondContact O-N 3.11Å; E243-F245 VanDerWaalsContact C-N 3.29Å; E243-F245 PolarHBondContact O-N 2.78Å; F245-T247 VanDerWaalsContact C-N 3.27Å; F245-T247 PolarHBondContact O-N 3.06Å; F245-L248 HydrophobicContact CD2-CD1 3.61Å; F245-L248 HydrophobicContact CE2-CD1 3.82Å; F245-L248 HydrophobicContact CG-CD1 4.33Å; F245-L248 WeakPolarHBondContact O-CB 3.44Å; F245-L248 WeakPolarHBondContact O-CG 3.25Å; F245-L248 PolarHBondContact O-N 3.14Å
246	Y	94.2	Very high	93.1	Very high	8 Å²	8	48.1 Å²	48.1	3%	0.031	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-79.7	-7.7	-177.4	-55.6	-74.4	0	0	0	113.8	I240 E243 E244 L248 K276 W277 R285	I240-Y246 WeakPolarHBondContact O-CE2 3.48Å; I240-Y246 VanDerWaalsContact O-CZ 3.29Å; I240-Y246 PolarHBondContact O-OH 2.95Å; E243-Y246 PolarHBondContact O-N 3.39Å; E243-Y246 VanDerWaalsContact O-N 3.08Å; E244-Y246 PolarHBondContact O-N 3.28Å; Y246-L248 VanDerWaalsContact C-N 3.35Å; Y246-K276 HydrophobicContact CD1-CB 4.08Å; Y246-K276 HydrophobicContact CE1-CB 3.48Å; Y246-K276 VanDerWaalsContact CE1-CB 3.48Å; Y246-K276 HydrophobicContact CE1-CD 4.32Å; Y246-K276 WeakPolarHBondContact OH-CD 3.49Å; Y246-W277 HydrophobicContact CD1-CB 3.92Å; Y246-R285 PolarHBondContact O-NH1 2.86Å; Y246-R285 PolarHBondContact O-NH2 3.42Å
247	T	92.6	Very high	93.1	Very high	81 Å²	81	48.3 Å²	48.3	50%	0.497	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-81.7	-17.7	172.3	72.4	0	0	0	0	111.9	E244 F245	E244-T247 PolarHBondContact O-N 3.11Å; E244-T247 PolarHBondContact O-OG1 3.19Å; E244-T247 PolarHBondContact OE1-OG1 3.13Å; E244-T247 VanDerWaalsContact OE1-OG1 3.09Å; F245-T247 VanDerWaalsContact C-N 3.27Å; F245-T247 PolarHBondContact O-N 3.06Å
248	L	93.4	Very high	93.3	Very high	5 Å²	5	49 Å²	49	3%	0.026	25%	0.245	C	C	.	.	S	Bend	trans	-58.8	146.1	-175.3	-69.1	177.8	0	0	0	113.7	V210 F245 Y246 L252 V253 W277	V210-L248 HydrophobicContact CG1-CD1 3.96Å; V210-L248 HydrophobicContact CG1-CD2 3.72Å; V210-L248 HydrophobicContact CG1-CG 3.95Å; F245-L248 HydrophobicContact CD2-CD1 3.61Å; F245-L248 HydrophobicContact CE2-CD1 3.82Å; F245-L248 HydrophobicContact CG-CD1 4.33Å; F245-L248 WeakPolarHBondContact O-CB 3.44Å; F245-L248 WeakPolarHBondContact O-CG 3.25Å; F245-L248 PolarHBondContact O-N 3.14Å; Y246-L248 VanDerWaalsContact C-N 3.35Å; L248-L252 HydrophobicContact CD2-CD1 4Å; L248-V253 HydrophobicContact CB-CG2 3.94Å; L248-W277 PolarHBondContact O-NE1 2.85Å
249	P	92.8	Very high	93.4	Very high	49 Å²	49	45.7 Å²	45.7	32%	0.318	23%	0.232	S	C	.	.			trans	-70.4	158	173.8	32	-37.2	0	0	0	111.9	H251 L252 V253	P249-H251 VanDerWaalsContact C-N 3.34Å; P249-H251 VanDerWaalsContact CB-CE1 3.5Å; P249-H251 WeakPolarHBondContact CB-CE1 3.31Å; P249-H251 WeakPolarHBondContact CG-CE1 3.24Å; P249-H251 PolarHBondContact O-N 3.34Å; P249-L252 HydrophobicContact CG-CB 4.26Å; P249-L252 HydrophobicContact CG-CD1 3.9Å; P249-L252 HydrophobicContact CG-CG 3.95Å; P249-L252 PolarHBondContact O-N 3.32Å; P249-V253 PolarHBondContact O-N 3.29Å
250	F	94.5	Very high	93.2	Very high	33 Å²	33	46.7 Å²	46.7	15%	0.145	24%	0.24	C	C	.	.	H	α-helix	trans	-51.2	-46.8	-176.7	166.9	-110.6	0	0	0	114	L252 V253 R254 W277 Y288 E291 L292	F250-L252 VanDerWaalsContact C-N 3.34Å; F250-L252 PolarHBondContact O-N 3.22Å; F250-V253 PolarHBondContact O-N 2.77Å; F250-R254 HydrophobicContact CE2-CB 4.29Å; F250-R254 HydrophobicContact CZ-CB 4.26Å; F250-R254 HydrophobicContact CZ-CG 4.41Å; F250-R254 WeakPolarHBondContact O-CB 3.47Å; F250-R254 PolarHBondContact O-N 3.41Å; F250-W277 HydrophobicContact CB-CH2 3.89Å; F250-W277 HydrophobicContact CB-CZ2 4.28Å; F250-W277 HydrophobicContact CD2-CH2 4.19Å; F250-Y288 HydrophobicContact CB-CD2 4.1Å; F250-Y288 HydrophobicContact CB-CE2 4.16Å; F250-Y288 HydrophobicContact CB-CG 4.33Å; F250-Y288 AromaticContact CD1-CD1 3.78Å; F250-Y288 HydrophobicContact CD1-CD1 3.78Å; F250-Y288 AromaticContact CD1-CE1 3.82Å; F250-Y288 HydrophobicContact CD1-CE1 3.82Å; F250-Y288 HydrophobicContact CD1-CG 4.27Å; F250-Y288 VanDerWaalsContact CD2-CB 3.48Å; F250-Y288 AromaticContact CD2-CD1 3.72Å; F250-Y288 HydrophobicContact CD2-CD1 3.72Å; F250-Y288 HydrophobicContact CD2-CD2 4.02Å; F250-Y288 HydrophobicContact CD2-CE1 4.48Å; F250-Y288 AromaticContact CD2-CG 3.46Å; F250-Y288 HydrophobicContact CD2-CG 3.46Å; F250-Y288 VanDerWaalsContact CD2-CG 3.46Å; F250-Y288 AromaticContact CE1-CD1 3.8Å; F250-Y288 HydrophobicContact CE1-CD1 3.8Å; F250-Y288 HydrophobicContact CE1-CE1 4.05Å; F250-Y288 AromaticContact CE2-CD1 3.73Å; F250-Y288 HydrophobicContact CE2-CD1 3.73Å; F250-Y288 AromaticContact CE2-CG 3.77Å; F250-Y288 HydrophobicContact CE2-CG 3.77Å; F250-Y288 AromaticContact CG-CD1 3.74Å; F250-Y288 HydrophobicContact CG-CD1 3.74Å; F250-Y288 HydrophobicContact CG-CD2 4.01Å; F250-Y288 HydrophobicContact CG-CE1 4.05Å; F250-Y288 HydrophobicContact CG-CE2 4.29Å; F250-Y288 AromaticContact CG-CG 3.74Å; F250-Y288 HydrophobicContact CG-CG 3.74Å; F250-Y288 AromaticContact CZ-CD1 3.77Å; F250-Y288 HydrophobicContact CZ-CD1 3.77Å; F250-Y288 HydrophobicContact CZ-CE1 4.47Å; F250-Y288 HydrophobicContact CZ-CG 4.3Å; F250-E291 HydrophobicContact CZ-CB 4.4Å; F250-E291 VanDerWaalsContact CZ-CD 3.49Å; F250-E291 HydrophobicContact CZ-CG 4.26Å; F250-E291 WeakPolarHBondContact CZ-OE2 3.34Å; F250-L292 HydrophobicContact CD2-CD1 4.48Å; F250-L292 HydrophobicContact CD2-CD2 4.02Å; F250-L292 HydrophobicContact CD2-CG 4.35Å; F250-L292 HydrophobicContact CE2-CD2 3.56Å; F250-L292 HydrophobicContact CE2-CG 3.9Å
251	H	93.4	Very high	93.1	Very high	76 Å²	76	49.1 Å²	49.1	35%	0.352	25%	0.251	S	S	.	.	H	α-helix	trans	-61.7	-41.1	-176	59.6	-89.5	0	0	0	112	P249 R254 D255	P249-H251 VanDerWaalsContact C-N 3.34Å; P249-H251 VanDerWaalsContact CB-CE1 3.5Å; P249-H251 WeakPolarHBondContact CB-CE1 3.31Å; P249-H251 WeakPolarHBondContact CG-CE1 3.24Å; P249-H251 PolarHBondContact O-N 3.34Å; H251-R254 PolarHBondContact O-N 3.07Å; H251-D255 WeakPolarHBondContact O-CB 3.27Å; H251-D255 PolarHBondContact O-N 3.26Å
252	L	94.1	Very high	93.3	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-66.7	-41	176.5	-68.6	-175.9	0	0	0	111.9	H217 L248 P249 F250 D255 W256	H217-L252 HydrophobicContact CB-CD2 4.42Å; L248-L252 HydrophobicContact CD2-CD1 4Å; P249-L252 HydrophobicContact CG-CB 4.26Å; P249-L252 HydrophobicContact CG-CD1 3.9Å; P249-L252 HydrophobicContact CG-CG 3.95Å; P249-L252 PolarHBondContact O-N 3.32Å; F250-L252 VanDerWaalsContact C-N 3.34Å; F250-L252 PolarHBondContact O-N 3.22Å; L252-D255 PolarHBondContact O-N 3.3Å; L252-W256 WeakPolarHBondContact O-CB 3.42Å; L252-W256 PolarHBondContact O-N 3.17Å
253	V	95.6	Very high	93.2	Very high	3 Å²	3	39 Å²	39	2%	0.018	20%	0.203	C	C	.	.	H	α-helix	trans	-64.1	-42.3	176.9	177.3	0	0	0	0	111.2	L248 P249 F250 D255 W256 L257 W277 L292	L248-V253 HydrophobicContact CB-CG2 3.94Å; P249-V253 PolarHBondContact O-N 3.29Å; F250-V253 PolarHBondContact O-N 2.77Å; V253-D255 VanDerWaalsContact C-N 3.34Å; V253-D255 PolarHBondContact O-N 3.5Å; V253-W256 PolarHBondContact O-N 2.91Å; V253-L257 HydrophobicContact CG1-CD1 4.05Å; V253-L257 WeakPolarHBondContact O-CG 3.45Å; V253-L257 PolarHBondContact O-N 2.82Å; V253-W277 HydrophobicContact CG2-CD2 4.42Å; V253-W277 HydrophobicContact CG2-CG 4.44Å; V253-W277 HydrophobicContact CG2-CZ2 4.38Å; V253-L292 HydrophobicContact CG1-CD1 4.22Å; V253-L292 HydrophobicContact CG1-CD2 4.21Å
254	R	95.9	Very high	93.2	Very high	82 Å²	82	33.4 Å²	33.4	31%	0.309	18%	0.176	S	C	.	.	H	α-helix	trans	-59.3	-45.1	174.1	-177.1	-158.3	63.5	-166.4	-5.1	111.2	F250 H251 L257 S258 E291 L292 L295	F250-R254 HydrophobicContact CE2-CB 4.29Å; F250-R254 HydrophobicContact CZ-CB 4.26Å; F250-R254 HydrophobicContact CZ-CG 4.41Å; F250-R254 WeakPolarHBondContact O-CB 3.47Å; F250-R254 PolarHBondContact O-N 3.41Å; H251-R254 PolarHBondContact O-N 3.07Å; R254-L257 PolarHBondContact O-N 3.23Å; R254-S258 WeakPolarHBondContact O-CB 3.3Å; R254-S258 PolarHBondContact O-N 3.37Å; R254-S258 PolarHBondContact O-OG 3.34Å; R254-E291 WeakPolarHBondContact CD-OE1 3.39Å; R254-L292 HydrophobicContact CB-CD2 4.05Å; R254-L295 HydrophobicContact CB-CD1 4.38Å; R254-L295 HydrophobicContact CG-CD1 3.63Å
255	D	94.5	Very high	93	Very high	62 Å²	62	32 Å²	32	33%	0.332	17%	0.172	S	C	.	.	H	α-helix	trans	-66.6	-40.2	-179.4	-63.1	-9.2	0	0	0	110.8	H251 L252 V253 S258 D259	H251-D255 WeakPolarHBondContact O-CB 3.27Å; H251-D255 PolarHBondContact O-N 3.26Å; L252-D255 PolarHBondContact O-N 3.3Å; V253-D255 VanDerWaalsContact C-N 3.34Å; V253-D255 PolarHBondContact O-N 3.5Å; D255-S258 PolarHBondContact O-N 3.25Å; D255-D259 PolarHBondContact O-N 2.83Å
256	W	95.3	Very high	92.8	Very high	10 Å²	10	33.1 Å²	33.1	4%	0.038	18%	0.18	C	C	.	.	H	α-helix	trans	-63.5	-41.9	173.8	-77.2	122.3	0	0	0	113.5	H213 A229 I232 R233 F236 L252 V253 S258 D259 I262	H213-W256 AromaticContact CE1-CZ2 3.62Å; H213-W256 AromaticContact ND1-CZ2 3.93Å; H213-W256 AromaticContact NE2-CZ2 3.68Å; A229-W256 HydrophobicContact CB-CH2 3.83Å; A229-W256 HydrophobicContact CB-CZ2 4.46Å; I232-W256 HydrophobicContact CB-CH2 3.71Å; I232-W256 HydrophobicContact CB-CZ2 3.9Å; I232-W256 HydrophobicContact CB-CZ3 4.38Å; I232-W256 HydrophobicContact CD1-CH2 4.21Å; I232-W256 HydrophobicContact CD1-CZ2 3.6Å; I232-W256 HydrophobicContact CG1-CZ2 4.36Å; I232-W256 HydrophobicContact CG2-CD2 4.28Å; I232-W256 HydrophobicContact CG2-CE3 4.22Å; I232-W256 HydrophobicContact CG2-CH2 3.53Å; I232-W256 HydrophobicContact CG2-CZ2 3.56Å; I232-W256 HydrophobicContact CG2-CZ3 3.87Å; R233-W256 HydrophobicContact CG-CH2 4.44Å; R233-W256 HydrophobicContact CG-CZ3 3.83Å; F236-W256 HydrophobicContact CD2-CE3 4.47Å; F236-W256 HydrophobicContact CE2-CB 4.12Å; F236-W256 HydrophobicContact CE2-CD2 4.05Å; F236-W256 HydrophobicContact CE2-CE3 4.08Å; F236-W256 HydrophobicContact CE2-CG 4.07Å; F236-W256 HydrophobicContact CZ-CB 4.09Å; L252-W256 WeakPolarHBondContact O-CB 3.42Å; L252-W256 PolarHBondContact O-N 3.17Å; V253-W256 PolarHBondContact O-N 2.91Å; W256-S258 VanDerWaalsContact C-N 3.26Å; W256-S258 PolarHBondContact O-N 3.25Å; W256-D259 PolarHBondContact O-N 3.45Å; W256-I262 HydrophobicContact CE3-CG2 3.9Å; W256-I262 HydrophobicContact CZ3-CG2 4.27Å
257	L	93.9	Very high	92.6	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-72.5	-20.6	175.8	-69	171.7	0	0	0	113	V253 R254 L270 V274 L292 L295 L296 R358	V253-L257 HydrophobicContact CG1-CD1 4.05Å; V253-L257 WeakPolarHBondContact O-CG 3.45Å; V253-L257 PolarHBondContact O-N 2.82Å; R254-L257 PolarHBondContact O-N 3.23Å; L257-L270 HydrophobicContact CD2-CB 4.22Å; L257-L270 HydrophobicContact CD2-CD1 4.37Å; L257-L270 HydrophobicContact CD2-CD2 4.19Å; L257-V274 HydrophobicContact CD1-CG2 3.48Å; L257-V274 VanDerWaalsContact CD1-CG2 3.48Å; L257-V274 HydrophobicContact CD2-CG2 4.24Å; L257-L292 HydrophobicContact CD1-CB 4.11Å; L257-L292 HydrophobicContact CD1-CD2 3.95Å; L257-L292 HydrophobicContact CD1-CG 4.47Å; L257-L295 HydrophobicContact CB-CB 4.06Å; L257-L295 HydrophobicContact CB-CD1 4.08Å; L257-L296 HydrophobicContact CD2-CD2 4.25Å; L257-R358 PolarHBondContact O-NH1 3.04Å; L257-R358 PolarHBondContact O-NH2 3.42Å
258	S	92.9	Very high	92.7	Very high	64 Å²	64	29.9 Å²	29.9	45%	0.448	16%	0.16	S	C	.	.	H	α-helix	trans	-81.6	-25.4	173.2	-57.6	0	0	0	0	112	R254 D255 W256 A260	R254-S258 WeakPolarHBondContact O-CB 3.3Å; R254-S258 PolarHBondContact O-N 3.37Å; R254-S258 PolarHBondContact O-OG 3.34Å; D255-S258 PolarHBondContact O-N 3.25Å; W256-S258 VanDerWaalsContact C-N 3.26Å; W256-S258 PolarHBondContact O-N 3.25Å; S258-A260 PolarHBondContact O-N 3.26Å
259	D	93.1	Very high	92.7	Very high	28 Å²	28	31.9 Å²	31.9	15%	0.15	17%	0.172	C	C	.	.			trans	-67.4	122	-179	-165	-25.4	0	0	0	111.2	R233 D255 W256 E261 I262 R358	R233-D259 IonicContact CZ-OD2 3.85Å; R233-D259 IonicContact NE-OD1 2.83Å; R233-D259 IonicContact NE-OD2 2.76Å; R233-D259 PolarHBondContact NE-OD2 3.32Å; R233-D259 IonicContact NH2-OD2 2.92Å; R233-D259 PolarHBondContact NH2-OD2 3.24Å; D255-D259 PolarHBondContact O-N 2.83Å; W256-D259 PolarHBondContact O-N 3.45Å; D259-E261 VanDerWaalsContact C-N 3.32Å; D259-E261 VanDerWaalsContact OD1-CB 3.27Å; D259-E261 WeakPolarHBondContact OD1-CB 3.44Å; D259-E261 PolarHBondContact OD1-N 3.19Å; D259-I262 HydrophobicContact CB-CG2 4.04Å; D259-R358 PolarHBondContact O-NH1 3.34Å
260	A	89.8	Confident	92.8	Very high	22 Å²	22	29.6 Å²	29.6	18%	0.182	16%	0.157	C	C	.	.	S	Bend	trans	-79.6	-15.2	178.9	0	0	0	0	0	112.8	S258 R358 F359 G360	S258-A260 PolarHBondContact O-N 3.26Å; A260-R358 CarbonylContact O-C 3.45Å; A260-R358 WeakPolarHBondContact O-CB 3.32Å; A260-F359 HydrophobicContact CB-CD2 3.89Å; A260-F359 WeakPolarHBondContact O-CA 3.37Å; A260-F359 WeakPolarHBondContact O-CB 3.44Å; A260-F359 PolarHBondContact O-N 3.27Å; A260-G360 PolarHBondContact O-N 3.02Å
261	E	91.4	Very high	92.8	Very high	58 Å²	58	28.2 Å²	28.2	27%	0.271	15%	0.151	S	C	.	.			trans	-89.6	-7.8	-171.3	-63.6	-68	120.8	0	0	113.7	D259 F359 G360 R669	D259-E261 VanDerWaalsContact C-N 3.32Å; D259-E261 VanDerWaalsContact OD1-CB 3.27Å; D259-E261 WeakPolarHBondContact OD1-CB 3.44Å; D259-E261 PolarHBondContact OD1-N 3.19Å; E261-F359 VanDerWaalsContact OE1-CB 3.23Å; E261-F359 WeakPolarHBondContact OE1-CB 3.2Å; E261-F359 WeakPolarHBondContact OE1-CD2 3.17Å; E261-G360 WeakPolarHBondContact O-CA 3.49Å; E261-R669 PolarHBondContact O-NH2 2.83Å; E261-R669 IonicContact OE2-CZ 3.91Å; E261-R669 IonicContact OE2-NE 3.26Å; E261-R669 IonicContact OE2-NH1 3.54Å; E261-R669 PolarHBondContact OE2-NH1 2.67Å; E261-R669 IonicContact OE2-NH2 2.78Å; E261-R669 PolarHBondContact OE2-NH2 2.92Å
262	I	93.6	Very high	92.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.			trans	-61.6	135.5	-178.6	60.2	175.2	0	0	0	112.2	R233 F236 W256 D259 V264 L270 G360	R233-I262 HydrophobicContact CG-CG2 4.48Å; F236-I262 HydrophobicContact CB-CB 4.19Å; F236-I262 HydrophobicContact CD1-CB 4.02Å; F236-I262 HydrophobicContact CD1-CD1 3.97Å; F236-I262 HydrophobicContact CD1-CG1 4.45Å; F236-I262 HydrophobicContact CD1-CG2 4.43Å; F236-I262 HydrophobicContact CD2-CB 4.46Å; F236-I262 HydrophobicContact CD2-CG2 4.16Å; F236-I262 HydrophobicContact CE1-CD1 3.8Å; F236-I262 HydrophobicContact CE2-CG2 4.4Å; F236-I262 HydrophobicContact CG-CB 3.98Å; F236-I262 HydrophobicContact CG-CG2 4.18Å; F236-I262 HydrophobicContact CZ-CD1 4.43Å; W256-I262 HydrophobicContact CE3-CG2 3.9Å; W256-I262 HydrophobicContact CZ3-CG2 4.27Å; D259-I262 HydrophobicContact CB-CG2 4.04Å; I262-V264 HydrophobicContact CD1-CG1 4.35Å; I262-V264 HydrophobicContact CG1-CG1 4.49Å; I262-V264 PolarHBondContact O-N 2.73Å; I262-L270 HydrophobicContact CD1-CD1 3.93Å; I262-L270 HydrophobicContact CD1-CD2 4.1Å; I262-G360 CarbonylContact O-C 3.52Å; I262-G360 WeakPolarHBondContact O-CA 3.49Å
263	T	90.8	Very high	92.9	Very high	13 Å²	13	28.6 Å²	28.6	8%	0.08	15%	0.154	C	C	.	.			trans	-87.9	104.1	178.2	66.4	0	0	0	0	111.4	R233 R234 H237 G360	R233-T263 WeakPolarHBondContact O-CB 3.43Å; R233-T263 WeakPolarHBondContact O-CG2 3.21Å; R233-T263 PolarHBondContact O-N 2.81Å; R233-T263 PolarHBondContact O-OG1 2.96Å; R234-T263 PolarHBondContact O-OG1 3.14Å; H237-T263 PolarHBondContact N-O 2.96Å; H237-T263 VanDerWaalsContact N-O 3.08Å; T263-G360 VanDerWaalsContact CA-O 3.32Å; T263-G360 WeakPolarHBondContact CA-O 3.48Å
264	V	90.7	Very high	92.9	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	15%	0.154	C	C	.	.			trans	-128.7	154.7	177	-67.8	0	0	0	0	110.3	F236 I240 I262 L270 Q361 N362	F236-V264 HydrophobicContact CD1-CG1 3.62Å; F236-V264 HydrophobicContact CE1-CG1 4.35Å; I240-V264 HydrophobicContact CD1-CG1 4.33Å; I262-V264 HydrophobicContact CD1-CG1 4.35Å; I262-V264 HydrophobicContact CG1-CG1 4.49Å; I262-V264 PolarHBondContact O-N 2.73Å; V264-L270 HydrophobicContact CG1-CD2 3.85Å; V264-L270 HydrophobicContact CG1-CG 4.29Å; V264-L270 HydrophobicContact CG2-CD1 4.49Å; V264-Q361 VanDerWaalsContact O-CA 3.31Å; V264-Q361 WeakPolarHBondContact O-CA 3.43Å; V264-Q361 WeakPolarHBondContact O-CG 3.43Å; V264-N362 PolarHBondContact O-N 3.13Å
265	D	86	Confident	92.8	Very high	64 Å²	64	25.1 Å²	25.1	34%	0.342	14%	0.142	S	C	.	.	S	Bend	trans	-75.5	-41.2	173.6	-67.1	-50.6	0	0	0	111.3	Q361 R665	D265-Q361 PolarHBondContact O-NE2 3.26Å; D265-R665 IonicContact OD1-CZ 3.1Å; D265-R665 IonicContact OD1-NH1 2.83Å; D265-R665 PolarHBondContact OD1-NH1 2.8Å; D265-R665 IonicContact OD1-NH2 2.64Å; D265-R665 PolarHBondContact OD1-NH2 2.84Å
266	S	89.6	Confident	92.8	Very high	29 Å²	29	27.3 Å²	27.3	20%	0.203	15%	0.149	C	C	.	.			trans	-159.2	160.1	-176.9	84.6	0	0	0	0	112.5	E268 V269	S266-E268 WeakPolarHBondContact CB-OE2 3.2Å; S266-E268 PolarHBondContact O-N 2.98Å; S266-E268 PolarHBondContact OG-N 3.49Å; S266-E268 PolarHBondContact OG-OE2 3.49Å; S266-V269 PolarHBondContact O-N 3.14Å
267	E	91.6	Very high	92.9	Very high	1 Å²	1	27 Å²	27	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-69.1	-21.2	176.9	-75.9	-71.2	135.3	0	0	112.3	V269 L270 F271 R297 Q300 I301 R358	E267-V269 VanDerWaalsContact C-N 3.25Å; E267-V269 PolarHBondContact O-N 3.08Å; E267-L270 WeakPolarHBondContact O-CB 3.37Å; E267-L270 PolarHBondContact O-N 3Å; E267-L270 VanDerWaalsContact O-N 3.13Å; E267-L270 WeakPolarHBondContact OE1-CD1 3.45Å; E267-F271 PolarHBondContact O-N 3.21Å; E267-R297 HydrophobicContact CG-CB 4.05Å; E267-R297 PolarHBondContact OE2-N 3.49Å; E267-Q300 HydrophobicContact CB-CB 4.27Å; E267-Q300 HydrophobicContact CG-CB 3.75Å; E267-Q300 HydrophobicContact CG-CG 4.22Å; E267-I301 HydrophobicContact CB-CD1 4.36Å; E267-I301 HydrophobicContact CB-CG1 3.74Å; E267-R358 WeakPolarHBondContact OE1-CD 3.29Å; E267-R358 WeakPolarHBondContact OE1-CG 3.33Å; E267-R358 IonicContact OE1-CZ 2.66Å; E267-R358 IonicContact OE1-NE 2.81Å; E267-R358 PolarHBondContact OE1-NE 2.74Å; E267-R358 IonicContact OE1-NH2 2.72Å; E267-R358 IonicContact OE2-NE 3.64Å; E267-R358 IonicContact OE2-NH2 2.64Å
268	E	93.3	Very high	92.9	Very high	19 Å²	19	26.9 Å²	26.9	9%	0.089	15%	0.146	C	C	.	.	H	α-helix	trans	-56.5	-41.2	172.8	-66.7	83.9	172.6	0	0	111.4	S266 L270 F271 E272 I301 K302 Y305	S266-E268 WeakPolarHBondContact CB-OE2 3.2Å; S266-E268 PolarHBondContact O-N 2.98Å; S266-E268 PolarHBondContact OG-N 3.49Å; S266-E268 PolarHBondContact OG-OE2 3.49Å; E268-L270 VanDerWaalsContact C-N 3.28Å; E268-L270 PolarHBondContact O-N 2.96Å; E268-F271 WeakPolarHBondContact O-CB 3.17Å; E268-F271 PolarHBondContact O-N 2.78Å; E268-E272 WeakPolarHBondContact O-CG 3.46Å; E268-E272 PolarHBondContact O-N 2.92Å; E268-I301 HydrophobicContact CG-CG2 3.9Å; E268-I301 WeakPolarHBondContact OE1-CA 3.32Å; E268-K302 PolarHBondContact OE1-N 3.31Å; E268-Y305 HydrophobicContact CB-CD1 4.47Å; E268-Y305 HydrophobicContact CB-CE1 4.14Å; E268-Y305 HydrophobicContact CB-CE2 4.42Å; E268-Y305 HydrophobicContact CG-CD1 3.69Å; E268-Y305 HydrophobicContact CG-CD2 4.08Å; E268-Y305 HydrophobicContact CG-CE1 3.86Å; E268-Y305 HydrophobicContact CG-CE2 4.21Å; E268-Y305 HydrophobicContact CG-CG 3.81Å
269	V	93.5	Very high	92.9	Very high	47 Å²	47	29.4 Å²	29.4	29%	0.285	15%	0.151	S	C	.	.	H	α-helix	trans	-64.2	-36.2	179	-177.5	0	0	0	0	111.2	I240 S266 E267 E272 A273	I240-V269 HydrophobicContact CD1-CG1 4.38Å; S266-V269 PolarHBondContact O-N 3.14Å; E267-V269 VanDerWaalsContact C-N 3.25Å; E267-V269 PolarHBondContact O-N 3.08Å; V269-E272 PolarHBondContact O-N 2.68Å; V269-A273 WeakPolarHBondContact O-CB 3.16Å; V269-A273 PolarHBondContact O-N 3.5Å
270	L	94.4	Very high	92.9	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-69	-40.2	176.4	-64	-175.7	0	0	0	111.9	F236 I240 L257 I262 V264 E267 E268 A273 V274 L296	F236-L270 HydrophobicContact CD1-CD2 4.27Å; F236-L270 HydrophobicContact CE1-CD2 3.65Å; I240-L270 HydrophobicContact CD1-CD2 4Å; L257-L270 HydrophobicContact CD2-CB 4.22Å; L257-L270 HydrophobicContact CD2-CD1 4.37Å; L257-L270 HydrophobicContact CD2-CD2 4.19Å; I262-L270 HydrophobicContact CD1-CD1 3.93Å; I262-L270 HydrophobicContact CD1-CD2 4.1Å; V264-L270 HydrophobicContact CG1-CD2 3.85Å; V264-L270 HydrophobicContact CG1-CG 4.29Å; V264-L270 HydrophobicContact CG2-CD1 4.49Å; E267-L270 WeakPolarHBondContact O-CB 3.37Å; E267-L270 PolarHBondContact O-N 3Å; E267-L270 VanDerWaalsContact O-N 3.13Å; E267-L270 WeakPolarHBondContact OE1-CD1 3.45Å; E268-L270 VanDerWaalsContact C-N 3.28Å; E268-L270 PolarHBondContact O-N 2.96Å; L270-A273 WeakPolarHBondContact O-CB 3.36Å; L270-A273 PolarHBondContact O-N 2.81Å; L270-V274 WeakPolarHBondContact O-CG2 3.33Å; L270-V274 PolarHBondContact O-N 2.83Å; L270-L296 HydrophobicContact CB-CD2 3.7Å
271	F	95.3	Very high	93	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.018	17%	0.172	C	C	.	.	H	α-helix	trans	-58.8	-48	173.2	171.1	-102.5	0	0	0	111.2	E267 E268 A273 V274 V275 F293 L296 Y305 V310 E313 V316	E267-F271 PolarHBondContact O-N 3.21Å; E268-F271 WeakPolarHBondContact O-CB 3.17Å; E268-F271 PolarHBondContact O-N 2.78Å; F271-A273 VanDerWaalsContact C-N 3.31Å; F271-A273 PolarHBondContact O-N 2.86Å; F271-V274 PolarHBondContact O-N 3.25Å; F271-V275 HydrophobicContact CE1-CG2 4.19Å; F271-V275 HydrophobicContact CE2-CG2 4.03Å; F271-V275 HydrophobicContact CZ-CG2 3.87Å; F271-V275 WeakPolarHBondContact O-CG2 3.34Å; F271-V275 PolarHBondContact O-N 2.9Å; F271-F293 HydrophobicContact CD2-CD2 4.37Å; F271-F293 HydrophobicContact CD2-CE2 4.02Å; F271-F293 HydrophobicContact CE2-CD2 4.34Å; F271-F293 AromaticContact CE2-CE2 3.87Å; F271-F293 HydrophobicContact CE2-CE2 3.87Å; F271-L296 HydrophobicContact CB-CD1 4Å; F271-L296 HydrophobicContact CD2-CD1 3.88Å; F271-L296 HydrophobicContact CG-CD1 4.46Å; F271-Y305 HydrophobicContact CD1-CE1 4.12Å; F271-V310 HydrophobicContact CD1-CG2 4.09Å; F271-V310 HydrophobicContact CD2-CG1 4.36Å; F271-V310 HydrophobicContact CD2-CG2 4.49Å; F271-V310 HydrophobicContact CE1-CG2 3.98Å; F271-V310 HydrophobicContact CE2-CG1 3.88Å; F271-V310 HydrophobicContact CE2-CG2 4.4Å; F271-V310 HydrophobicContact CG-CG2 4.34Å; F271-V310 HydrophobicContact CZ-CB 4.26Å; F271-V310 HydrophobicContact CZ-CG1 4.07Å; F271-V310 HydrophobicContact CZ-CG2 4.14Å; F271-E313 HydrophobicContact CZ-CB 4Å; F271-E313 HydrophobicContact CZ-CG 4.03Å; F271-V316 HydrophobicContact CE2-CG2 4.12Å; F271-V316 HydrophobicContact CZ-CG2 4.45Å
272	E	94.3	Very high	93	Very high	82 Å²	82	35.2 Å²	35.2	38%	0.383	18%	0.179	S	C	.	.	H	α-helix	trans	-61.2	-39.8	177	-69.6	175.8	-170.7	0	0	112	E268 V269 V275 K276 Y305	E268-E272 WeakPolarHBondContact O-CG 3.46Å; E268-E272 PolarHBondContact O-N 2.92Å; V269-E272 PolarHBondContact O-N 2.68Å; E272-V275 PolarHBondContact O-N 3.08Å; E272-K276 WeakPolarHBondContact O-CG 3.27Å; E272-K276 PolarHBondContact O-N 2.95Å; E272-Y305 WeakPolarHBondContact CG-OH 3.46Å; E272-Y305 PolarHBondContact OE1-OH 3.05Å
273	A	95	Very high	92.8	Very high	5 Å²	5	43.4 Å²	43.4	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-42.8	175.8	0	0	0	0	0	112.5	I240 V269 L270 F271 K276 W277	I240-A273 HydrophobicContact CG2-CB 3.56Å; V269-A273 WeakPolarHBondContact O-CB 3.16Å; V269-A273 PolarHBondContact O-N 3.5Å; L270-A273 WeakPolarHBondContact O-CB 3.36Å; L270-A273 PolarHBondContact O-N 2.81Å; F271-A273 VanDerWaalsContact C-N 3.31Å; F271-A273 PolarHBondContact O-N 2.86Å; A273-K276 PolarHBondContact O-N 3.02Å; A273-W277 WeakPolarHBondContact O-CB 3.43Å; A273-W277 PolarHBondContact O-N 2.66Å
274	V	95.8	Very high	92.9	Very high	2 Å²	2	45 Å²	45	1%	0.012	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-45.5	176.4	170.7	0	0	0	0	110.7	L257 L270 F271 W277 V278 F289 L292 L296	L257-V274 HydrophobicContact CD1-CG2 3.48Å; L257-V274 VanDerWaalsContact CD1-CG2 3.48Å; L257-V274 HydrophobicContact CD2-CG2 4.24Å; L270-V274 WeakPolarHBondContact O-CG2 3.33Å; L270-V274 PolarHBondContact O-N 2.83Å; F271-V274 PolarHBondContact O-N 3.25Å; V274-W277 PolarHBondContact O-N 3.08Å; V274-V278 WeakPolarHBondContact O-CG2 3.39Å; V274-V278 PolarHBondContact O-N 3.49Å; V274-F289 HydrophobicContact CG1-CD2 3.94Å; V274-F289 HydrophobicContact CG1-CE2 3.99Å; V274-L292 HydrophobicContact CG1-CB 3.94Å; V274-L292 HydrophobicContact CG1-CD1 4.23Å; V274-L292 HydrophobicContact CG2-CB 4.37Å; V274-L296 HydrophobicContact CG2-CD2 4.34Å
275	V	94.4	Very high	93	Very high	11 Å²	11	46.4 Å²	46.4	7%	0.067	23%	0.229	C	C	.	.	H	α-helix	trans	-61.4	-47.5	178.1	174.4	0	0	0	0	110.7	F271 E272 W277 V278 Q279 F289 E313	F271-V275 HydrophobicContact CE1-CG2 4.19Å; F271-V275 HydrophobicContact CE2-CG2 4.03Å; F271-V275 HydrophobicContact CZ-CG2 3.87Å; F271-V275 WeakPolarHBondContact O-CG2 3.34Å; F271-V275 PolarHBondContact O-N 2.9Å; E272-V275 PolarHBondContact O-N 3.08Å; V275-W277 VanDerWaalsContact C-N 3.35Å; V275-W277 PolarHBondContact O-N 3Å; V275-V278 PolarHBondContact O-N 3.04Å; V275-Q279 HydrophobicContact CG1-CG 4.32Å; V275-Q279 VanDerWaalsContact CG1-NE2 3.33Å; V275-Q279 WeakPolarHBondContact O-CB 3.12Å; V275-Q279 VanDerWaalsContact O-CG 3.26Å; V275-Q279 WeakPolarHBondContact O-CG 3.48Å; V275-Q279 PolarHBondContact O-N 2.85Å; V275-F289 HydrophobicContact CG2-CE2 4.37Å; V275-E313 HydrophobicContact CG2-CG 4.26Å
276	K	94.9	Very high	93.3	Very high	108 Å²	108	45.8 Å²	45.8	47%	0.47	23%	0.23	S	C	.	.	H	α-helix	trans	-59.7	-42.2	176.5	-75.7	177.3	-179.5	177.5	0	112.5	Y246 E272 A273 V278 Q279 K280	Y246-K276 HydrophobicContact CD1-CB 4.08Å; Y246-K276 HydrophobicContact CE1-CB 3.48Å; Y246-K276 VanDerWaalsContact CE1-CB 3.48Å; Y246-K276 HydrophobicContact CE1-CD 4.32Å; Y246-K276 WeakPolarHBondContact OH-CD 3.49Å; E272-K276 WeakPolarHBondContact O-CG 3.27Å; E272-K276 PolarHBondContact O-N 2.95Å; A273-K276 PolarHBondContact O-N 3.02Å; K276-V278 PolarHBondContact O-N 3.33Å; K276-Q279 PolarHBondContact O-N 3.41Å; K276-K280 PolarHBondContact O-N 2.91Å
277	W	96.1	Very high	93.4	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.015	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-42.9	178.4	-175.8	89.2	0	0	0	112.1	Y246 L248 F250 V253 A273 V274 V275 K280 R285 Y288 L292	Y246-W277 HydrophobicContact CD1-CB 3.92Å; L248-W277 PolarHBondContact O-NE1 2.85Å; F250-W277 HydrophobicContact CB-CH2 3.89Å; F250-W277 HydrophobicContact CB-CZ2 4.28Å; F250-W277 HydrophobicContact CD2-CH2 4.19Å; V253-W277 HydrophobicContact CG2-CD2 4.42Å; V253-W277 HydrophobicContact CG2-CG 4.44Å; V253-W277 HydrophobicContact CG2-CZ2 4.38Å; A273-W277 WeakPolarHBondContact O-CB 3.43Å; A273-W277 PolarHBondContact O-N 2.66Å; V274-W277 PolarHBondContact O-N 3.08Å; V275-W277 VanDerWaalsContact C-N 3.35Å; V275-W277 PolarHBondContact O-N 3Å; W277-K280 PolarHBondContact O-N 3.37Å; W277-R285 HydrophobicContact CE3-CB 4.21Å; W277-R285 HydrophobicContact CE3-CG 4.35Å; W277-R285 HydrophobicContact CH2-CB 4.12Å; W277-R285 HydrophobicContact CH2-CG 3.74Å; W277-R285 HydrophobicContact CZ2-CG 4.18Å; W277-R285 HydrophobicContact CZ3-CB 3.73Å; W277-R285 HydrophobicContact CZ3-CG 3.84Å; W277-R285 WeakPolarHBondContact O-CD 3.02Å; W277-R285 PolarHBondContact O-NH1 3.42Å; W277-Y288 HydrophobicContact CH2-CD2 4.26Å; W277-L292 HydrophobicContact CE3-CD1 3.77Å; W277-L292 HydrophobicContact CZ3-CD1 3.75Å
278	V	95.1	Very high	93.5	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-67.7	-40.9	176.9	174.4	0	0	0	0	111.4	V274 V275 K276 K280 N281 P282 R285 F289 L315	V274-V278 WeakPolarHBondContact O-CG2 3.39Å; V274-V278 PolarHBondContact O-N 3.49Å; V275-V278 PolarHBondContact O-N 3.04Å; K276-V278 PolarHBondContact O-N 3.33Å; V278-K280 PolarHBondContact O-N 3.26Å; V278-N281 CarbonylContact O-C 3.56Å; V278-N281 VanDerWaalsContact O-C 3.27Å; V278-N281 PolarHBondContact O-N 2.98Å; V278-P282 WeakPolarHBondContact O-CA 3.5Å; V278-R285 HydrophobicContact CB-CB 4.5Å; V278-R285 HydrophobicContact CG1-CB 4.38Å; V278-R285 HydrophobicContact CG2-CB 4.46Å; V278-F289 HydrophobicContact CG2-CB 4.26Å; V278-F289 HydrophobicContact CG2-CD2 4.07Å; V278-L315 HydrophobicContact CB-CD1 4.21Å; V278-L315 HydrophobicContact CG1-CD1 3.88Å; V278-L315 HydrophobicContact CG1-CD2 4.48Å
279	Q	92.8	Very high	93.5	Very high	118 Å²	118	54.8 Å²	54.8	55%	0.551	26%	0.259	S	S	*	.	H	α-helix	trans	-63.5	-24.7	179.8	-75.4	176.4	-2.9	0	0	113.9	V275 K276 N281	V275-Q279 HydrophobicContact CG1-CG 4.32Å; V275-Q279 VanDerWaalsContact CG1-NE2 3.33Å; V275-Q279 WeakPolarHBondContact O-CB 3.12Å; V275-Q279 VanDerWaalsContact O-CG 3.26Å; V275-Q279 WeakPolarHBondContact O-CG 3.48Å; V275-Q279 PolarHBondContact O-N 2.85Å; K276-Q279 PolarHBondContact O-N 3.41Å; Q279-N281 VanDerWaalsContact C-N 3.29Å; Q279-N281 PolarHBondContact O-N 3.37Å
280	K	92.6	Very high	93.5	Very high	122 Å²	122	55.5 Å²	55.5	53%	0.53	26%	0.259	S	S	.	.	H	α-helix	trans	-63.5	-33.4	177.7	-163.1	74.2	170.5	-164.2	0	112.9	E243 K276 W277 V278	E243-K280 IonicContact OE2-NZ 2.91Å; E243-K280 PolarHBondContact OE2-NZ 3.32Å; K276-K280 PolarHBondContact O-N 2.91Å; W277-K280 PolarHBondContact O-N 3.37Å; V278-K280 PolarHBondContact O-N 3.26Å
281	N	92	Very high	93.5	Very high	42 Å²	42	59.4 Å²	59.4	23%	0.225	28%	0.277	C	S	.	.	S	Bend	trans	-147.4	81	175.2	-177.8	-2.7	0	0	0	109.6	V278 Q279 E283 E284 R285	V278-N281 CarbonylContact O-C 3.56Å; V278-N281 VanDerWaalsContact O-C 3.27Å; V278-N281 PolarHBondContact O-N 2.98Å; Q279-N281 VanDerWaalsContact C-N 3.29Å; Q279-N281 PolarHBondContact O-N 3.37Å; N281-E283 VanDerWaalsContact C-N 3.29Å; N281-E283 PolarHBondContact O-N 2.99Å; N281-E284 PolarHBondContact ND2-OE2 3.2Å; N281-E284 PolarHBondContact O-N 3.45Å; N281-E284 PolarHBondContact OD1-N 3.41Å; N281-R285 HydrophobicContact CB-CG 4.17Å; N281-R285 WeakPolarHBondContact O-CB 3.35Å; N281-R285 WeakPolarHBondContact O-CG 3.21Å; N281-R285 PolarHBondContact O-N 3.31Å
282	P	90.4	Very high	93.5	Very high	65 Å²	65	59.2 Å²	59.2	42%	0.422	28%	0.277	S	S	.	.	H	α-helix	trans	-65.5	-31.7	-171.6	25.5	-33.6	0	0	0	112.6	V278 E284 S286	V278-P282 WeakPolarHBondContact O-CA 3.5Å; P282-E284 PolarHBondContact O-N 2.76Å; P282-S286 WeakPolarHBondContact O-CB 3.18Å; P282-S286 PolarHBondContact O-N 2.87Å; P282-S286 PolarHBondContact O-OG 3.09Å
283	E	90.4	Very high	93.5	Very high	173 Å²	173	55.3 Å²	55.3	81%	0.808	26%	0.258	S	S	*	.	H	α-helix	trans	-61.4	-47.4	-177.8	-60	-60.7	148.8	0	0	111.7	N281	N281-E283 VanDerWaalsContact C-N 3.29Å; N281-E283 PolarHBondContact O-N 2.99Å
284	E	92.3	Very high	93.4	Very high	45 Å²	45	61.7 Å²	61.7	21%	0.21	28%	0.281	C	S	.	.	H	α-helix	trans	-95.2	-25.4	-176.6	-64.6	-168.7	125.8	0	0	114.1	V5 N281 P282 R287	V5-E284 VanDerWaalsContact CG2-OE1 3.32Å; V5-E284 WeakPolarHBondContact CG2-OE1 3.33Å; N281-E284 PolarHBondContact ND2-OE2 3.2Å; N281-E284 PolarHBondContact O-N 3.45Å; N281-E284 PolarHBondContact OD1-N 3.41Å; P282-E284 PolarHBondContact O-N 2.76Å; E284-R287 WeakPolarHBondContact O-CG 3.38Å; E284-R287 PolarHBondContact O-NE 3.44Å
285	R	93.8	Very high	93.2	Very high	31 Å²	31	64 Å²	64	12%	0.117	29%	0.293	C	S	.	.	H	α-helix	trans	-95	-20.8	-172.3	-61.9	-178.3	175.1	-174.5	-4.5	113.9	Y246 W277 V278 N281 R287 Y288	Y246-R285 PolarHBondContact O-NH1 2.86Å; Y246-R285 PolarHBondContact O-NH2 3.42Å; W277-R285 HydrophobicContact CE3-CB 4.21Å; W277-R285 HydrophobicContact CE3-CG 4.35Å; W277-R285 HydrophobicContact CH2-CB 4.12Å; W277-R285 HydrophobicContact CH2-CG 3.74Å; W277-R285 HydrophobicContact CZ2-CG 4.18Å; W277-R285 HydrophobicContact CZ3-CB 3.73Å; W277-R285 HydrophobicContact CZ3-CG 3.84Å; W277-R285 WeakPolarHBondContact O-CD 3.02Å; W277-R285 PolarHBondContact O-NH1 3.42Å; V278-R285 HydrophobicContact CB-CB 4.5Å; V278-R285 HydrophobicContact CG1-CB 4.38Å; V278-R285 HydrophobicContact CG2-CB 4.46Å; N281-R285 HydrophobicContact CB-CG 4.17Å; N281-R285 WeakPolarHBondContact O-CB 3.35Å; N281-R285 WeakPolarHBondContact O-CG 3.21Å; N281-R285 PolarHBondContact O-N 3.31Å; R285-R287 PolarHBondContact O-N 2.78Å; R285-Y288 PolarHBondContact O-N 2.85Å
286	S	91.2	Very high	93.1	Very high	52 Å²	52	63.9 Å²	63.9	36%	0.364	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-59.3	-32.8	-179	-64.9	0	0	0	0	113.2	P282 Y288 F289	P282-S286 WeakPolarHBondContact O-CB 3.18Å; P282-S286 PolarHBondContact O-N 2.87Å; P282-S286 PolarHBondContact O-OG 3.09Å; S286-Y288 PolarHBondContact O-N 3.13Å; S286-F289 WeakPolarHBondContact O-CB 3.36Å; S286-F289 PolarHBondContact O-N 3.12Å
287	R	92	Very high	93	Very high	163 Å²	163	60.6 Å²	60.6	62%	0.615	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-62.1	-25.8	176	61.7	-177.9	152.6	-175.2	-7.4	114.2	E284 R285	E284-R287 WeakPolarHBondContact O-CG 3.38Å; E284-R287 PolarHBondContact O-NE 3.44Å; R285-R287 PolarHBondContact O-N 2.78Å
288	Y	94	Very high	92.7	Very high	69 Å²	69	60.8 Å²	60.8	27%	0.271	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-90.3	-10.8	-178.1	-62.4	-56.9	0	0	0	113	F250 W277 R285 S286 E290 E291 L292	F250-Y288 HydrophobicContact CB-CD2 4.1Å; F250-Y288 HydrophobicContact CB-CE2 4.16Å; F250-Y288 HydrophobicContact CB-CG 4.33Å; F250-Y288 AromaticContact CD1-CD1 3.78Å; F250-Y288 HydrophobicContact CD1-CD1 3.78Å; F250-Y288 AromaticContact CD1-CE1 3.82Å; F250-Y288 HydrophobicContact CD1-CE1 3.82Å; F250-Y288 HydrophobicContact CD1-CG 4.27Å; F250-Y288 VanDerWaalsContact CD2-CB 3.48Å; F250-Y288 AromaticContact CD2-CD1 3.72Å; F250-Y288 HydrophobicContact CD2-CD1 3.72Å; F250-Y288 HydrophobicContact CD2-CD2 4.02Å; F250-Y288 HydrophobicContact CD2-CE1 4.48Å; F250-Y288 AromaticContact CD2-CG 3.46Å; F250-Y288 HydrophobicContact CD2-CG 3.46Å; F250-Y288 VanDerWaalsContact CD2-CG 3.46Å; F250-Y288 AromaticContact CE1-CD1 3.8Å; F250-Y288 HydrophobicContact CE1-CD1 3.8Å; F250-Y288 HydrophobicContact CE1-CE1 4.05Å; F250-Y288 AromaticContact CE2-CD1 3.73Å; F250-Y288 HydrophobicContact CE2-CD1 3.73Å; F250-Y288 AromaticContact CE2-CG 3.77Å; F250-Y288 HydrophobicContact CE2-CG 3.77Å; F250-Y288 AromaticContact CG-CD1 3.74Å; F250-Y288 HydrophobicContact CG-CD1 3.74Å; F250-Y288 HydrophobicContact CG-CD2 4.01Å; F250-Y288 HydrophobicContact CG-CE1 4.05Å; F250-Y288 HydrophobicContact CG-CE2 4.29Å; F250-Y288 AromaticContact CG-CG 3.74Å; F250-Y288 HydrophobicContact CG-CG 3.74Å; F250-Y288 AromaticContact CZ-CD1 3.77Å; F250-Y288 HydrophobicContact CZ-CD1 3.77Å; F250-Y288 HydrophobicContact CZ-CE1 4.47Å; F250-Y288 HydrophobicContact CZ-CG 4.3Å; W277-Y288 HydrophobicContact CH2-CD2 4.26Å; R285-Y288 PolarHBondContact O-N 2.85Å; S286-Y288 PolarHBondContact O-N 3.13Å; Y288-E290 VanDerWaalsContact C-N 3.33Å; Y288-E290 PolarHBondContact O-N 2.94Å; Y288-E291 PolarHBondContact O-N 3.19Å; Y288-L292 WeakPolarHBondContact O-CG 3.27Å; Y288-L292 PolarHBondContact O-N 2.94Å; Y288-L292 VanDerWaalsContact O-N 3.08Å
289	F	94.3	Very high	92.3	Very high	6 Å²	6	61.5 Å²	61.5	3%	0.026	28%	0.283	C	S	.	.	H	α-helix	trans	-57.7	-43.8	-174.4	178.5	-102.5	0	0	0	112.6	V274 V275 V278 S286 E291 L292 F293 L315 V316	V274-F289 HydrophobicContact CG1-CD2 3.94Å; V274-F289 HydrophobicContact CG1-CE2 3.99Å; V275-F289 HydrophobicContact CG2-CE2 4.37Å; V278-F289 HydrophobicContact CG2-CB 4.26Å; V278-F289 HydrophobicContact CG2-CD2 4.07Å; S286-F289 WeakPolarHBondContact O-CB 3.36Å; S286-F289 PolarHBondContact O-N 3.12Å; F289-E291 VanDerWaalsContact C-N 3.32Å; F289-E291 PolarHBondContact O-N 3.13Å; F289-L292 PolarHBondContact O-N 3.26Å; F289-F293 HydrophobicContact CE1-CB 4.43Å; F289-F293 HydrophobicContact CE1-CD2 4.37Å; F289-F293 HydrophobicContact CE1-CG 4.49Å; F289-F293 AromaticContact CZ-CD2 3.97Å; F289-F293 HydrophobicContact CZ-CD2 3.97Å; F289-F293 HydrophobicContact CZ-CG 4.49Å; F289-F293 WeakPolarHBondContact O-CB 3.45Å; F289-F293 PolarHBondContact O-N 3.17Å; F289-L315 HydrophobicContact CD1-CB 3.88Å; F289-L315 HydrophobicContact CD2-CB 4.2Å; F289-L315 HydrophobicContact CD2-CD1 3.89Å; F289-L315 HydrophobicContact CE1-CB 3.6Å; F289-L315 WeakPolarHBondContact CE1-O 3.34Å; F289-L315 HydrophobicContact CE2-CB 3.93Å; F289-L315 HydrophobicContact CE2-CD1 3.92Å; F289-L315 HydrophobicContact CG-CB 4.17Å; F289-L315 HydrophobicContact CG-CD1 4.39Å; F289-L315 HydrophobicContact CZ-CB 3.62Å; F289-L315 HydrophobicContact CZ-CD1 4.47Å; F289-V316 HydrophobicContact CE1-CG2 3.99Å; F289-V316 HydrophobicContact CZ-CG2 3.72Å
290	E	93.4	Very high	92	Very high	61 Å²	61	56.8 Å²	56.8	29%	0.285	26%	0.261	S	S	.	.	H	α-helix	trans	-61.2	-39.9	-179.8	-170.9	-174.2	129	0	0	112.4	Y288 R294 N319	Y288-E290 VanDerWaalsContact C-N 3.33Å; Y288-E290 PolarHBondContact O-N 2.94Å; E290-R294 WeakPolarHBondContact O-CG 3.06Å; E290-R294 PolarHBondContact O-N 3.03Å; E290-R294 IonicContact OE1-CZ 3.67Å; E290-R294 IonicContact OE1-NH1 3.7Å; E290-R294 PolarHBondContact OE1-NH1 2.83Å; E290-R294 IonicContact OE1-NH2 3.31Å; E290-R294 PolarHBondContact OE1-NH2 3.18Å; E290-N319 PolarHBondContact OE2-ND2 3.26Å
291	E	94.1	Very high	91.9	Very high	83 Å²	83	51 Å²	51	39%	0.388	24%	0.236	S	C	.	.	H	α-helix	trans	-69.8	-44.5	178.6	-167.7	177.8	153.8	0	0	111.2	F250 R254 Y288 F289 F293 R294	F250-E291 HydrophobicContact CZ-CB 4.4Å; F250-E291 VanDerWaalsContact CZ-CD 3.49Å; F250-E291 HydrophobicContact CZ-CG 4.26Å; F250-E291 WeakPolarHBondContact CZ-OE2 3.34Å; R254-E291 WeakPolarHBondContact CD-OE1 3.39Å; Y288-E291 PolarHBondContact O-N 3.19Å; F289-E291 VanDerWaalsContact C-N 3.32Å; F289-E291 PolarHBondContact O-N 3.13Å; E291-F293 VanDerWaalsContact C-N 3.32Å; E291-F293 PolarHBondContact O-N 3.46Å; E291-R294 PolarHBondContact O-N 2.82Å
292	L	94.8	Very high	91.6	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.5	-37.8	176.1	-61	179.8	0	0	0	111.8	F250 V253 R254 L257 V274 W277 Y288 F289 R294 L295	F250-L292 HydrophobicContact CD2-CD1 4.48Å; F250-L292 HydrophobicContact CD2-CD2 4.02Å; F250-L292 HydrophobicContact CD2-CG 4.35Å; F250-L292 HydrophobicContact CE2-CD2 3.56Å; F250-L292 HydrophobicContact CE2-CG 3.9Å; V253-L292 HydrophobicContact CG1-CD1 4.22Å; V253-L292 HydrophobicContact CG1-CD2 4.21Å; R254-L292 HydrophobicContact CB-CD2 4.05Å; L257-L292 HydrophobicContact CD1-CB 4.11Å; L257-L292 HydrophobicContact CD1-CD2 3.95Å; L257-L292 HydrophobicContact CD1-CG 4.47Å; V274-L292 HydrophobicContact CG1-CB 3.94Å; V274-L292 HydrophobicContact CG1-CD1 4.23Å; V274-L292 HydrophobicContact CG2-CB 4.37Å; W277-L292 HydrophobicContact CE3-CD1 3.77Å; W277-L292 HydrophobicContact CZ3-CD1 3.75Å; Y288-L292 WeakPolarHBondContact O-CG 3.27Å; Y288-L292 PolarHBondContact O-N 2.94Å; Y288-L292 VanDerWaalsContact O-N 3.08Å; F289-L292 PolarHBondContact O-N 3.26Å; L292-R294 VanDerWaalsContact C-N 3.31Å; L292-R294 PolarHBondContact O-N 3.22Å; L292-L295 WeakPolarHBondContact O-CB 3.45Å; L292-L295 PolarHBondContact O-N 2.91Å; L292-L295 VanDerWaalsContact O-N 3.14Å
293	F	94.3	Very high	91.4	Very high	1 Å²	1	55.6 Å²	55.6	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-64.7	-34.7	-179.9	-170.6	-100.5	0	0	0	112.4	F271 F289 E291 L295 L296 L298 V310 V316 C322 L325 V326	F271-F293 HydrophobicContact CD2-CD2 4.37Å; F271-F293 HydrophobicContact CD2-CE2 4.02Å; F271-F293 HydrophobicContact CE2-CD2 4.34Å; F271-F293 AromaticContact CE2-CE2 3.87Å; F271-F293 HydrophobicContact CE2-CE2 3.87Å; F289-F293 HydrophobicContact CE1-CB 4.43Å; F289-F293 HydrophobicContact CE1-CD2 4.37Å; F289-F293 HydrophobicContact CE1-CG 4.49Å; F289-F293 AromaticContact CZ-CD2 3.97Å; F289-F293 HydrophobicContact CZ-CD2 3.97Å; F289-F293 HydrophobicContact CZ-CG 4.49Å; F289-F293 WeakPolarHBondContact O-CB 3.45Å; F289-F293 PolarHBondContact O-N 3.17Å; E291-F293 VanDerWaalsContact C-N 3.32Å; E291-F293 PolarHBondContact O-N 3.46Å; F293-L295 PolarHBondContact O-N 2.76Å; F293-L296 HydrophobicContact CD2-CD1 3.91Å; F293-L296 HydrophobicContact CE2-CD1 4.33Å; F293-L296 WeakPolarHBondContact O-CB 3.35Å; F293-L296 PolarHBondContact O-N 3.4Å; F293-L298 HydrophobicContact CE1-CD1 3.81Å; F293-L298 HydrophobicContact CE1-CD2 4.32Å; F293-L298 HydrophobicContact CE2-CD2 4.13Å; F293-L298 HydrophobicContact CZ-CD1 3.96Å; F293-L298 HydrophobicContact CZ-CD2 3.79Å; F293-V310 HydrophobicContact CE2-CG1 3.98Å; F293-V310 HydrophobicContact CZ-CG1 4Å; F293-V316 HydrophobicContact CD2-CG2 4.42Å; F293-V316 HydrophobicContact CE2-CG2 3.9Å; F293-V316 HydrophobicContact CZ-CG1 4.47Å; F293-V316 HydrophobicContact CZ-CG2 4.28Å; F293-C322 HydrophobicContact CD1-CB 3.71Å; F293-C322 VanDerWaalsContact CD1-SG 3.56Å; F293-C322 HydrophobicContact CE1-CB 3.66Å; F293-C322 HydrophobicContact CG-CB 4.42Å; F293-C322 HydrophobicContact CZ-CB 4.36Å; F293-L325 HydrophobicContact CD1-CD1 4.23Å; F293-L325 HydrophobicContact CE1-CB 4.34Å; F293-L325 HydrophobicContact CE1-CD1 4.41Å; F293-V326 HydrophobicContact CE1-CG2 4.19Å; F293-V326 HydrophobicContact CZ-CG2 3.7Å
294	R	92	Very high	91.3	Very high	138 Å²	138	52 Å²	52	52%	0.521	24%	0.244	S	C	.	.	H	α-helix	trans	-65.3	-24.1	174.5	-75.6	-179.8	178.5	114.9	4.2	113.9	E290 E291 L292 L296 L325	E290-R294 WeakPolarHBondContact O-CG 3.06Å; E290-R294 PolarHBondContact O-N 3.03Å; E290-R294 IonicContact OE1-CZ 3.67Å; E290-R294 IonicContact OE1-NH1 3.7Å; E290-R294 PolarHBondContact OE1-NH1 2.83Å; E290-R294 IonicContact OE1-NH2 3.31Å; E290-R294 PolarHBondContact OE1-NH2 3.18Å; E291-R294 PolarHBondContact O-N 2.82Å; L292-R294 VanDerWaalsContact C-N 3.31Å; L292-R294 PolarHBondContact O-N 3.22Å; R294-L296 VanDerWaalsContact C-N 3.32Å; R294-L325 HydrophobicContact CG-CD1 3.96Å
295	L	92.8	Very high	91.2	Very high	51 Å²	51	52 Å²	52	27%	0.267	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-14.1	179.3	-60.6	174.5	0	0	0	112.7	R254 L257 L292 F293 R358	R254-L295 HydrophobicContact CB-CD1 4.38Å; R254-L295 HydrophobicContact CG-CD1 3.63Å; L257-L295 HydrophobicContact CB-CB 4.06Å; L257-L295 HydrophobicContact CB-CD1 4.08Å; L292-L295 WeakPolarHBondContact O-CB 3.45Å; L292-L295 PolarHBondContact O-N 2.91Å; L292-L295 VanDerWaalsContact O-N 3.14Å; F293-L295 PolarHBondContact O-N 2.76Å; L295-R358 PolarHBondContact O-NH2 3.22Å; L295-R358 VanDerWaalsContact O-NH2 3.14Å
296	L	92.8	Very high	91.1	Very high	9 Å²	9	50.6 Å²	50.6	5%	0.047	24%	0.237	C	C	.	.	S	Bend	trans	-73.3	137.7	174.6	-61.1	176.3	0	0	0	110.2	L257 L270 F271 V274 F293 R294 L298	L257-L296 HydrophobicContact CD2-CD2 4.25Å; L270-L296 HydrophobicContact CB-CD2 3.7Å; F271-L296 HydrophobicContact CB-CD1 4Å; F271-L296 HydrophobicContact CD2-CD1 3.88Å; F271-L296 HydrophobicContact CG-CD1 4.46Å; V274-L296 HydrophobicContact CG2-CD2 4.34Å; F293-L296 HydrophobicContact CD2-CD1 3.91Å; F293-L296 HydrophobicContact CE2-CD1 4.33Å; F293-L296 WeakPolarHBondContact O-CB 3.35Å; F293-L296 PolarHBondContact O-N 3.4Å; R294-L296 VanDerWaalsContact C-N 3.32Å; L296-L298 VanDerWaalsContact C-N 3.29Å; L296-L298 HydrophobicContact CB-CD2 4.21Å; L296-L298 PolarHBondContact O-N 3.33Å
297	R	91.2	Very high	91	Very high	38 Å²	38	50.6 Å²	50.6	14%	0.143	24%	0.24	C	C	.	.			trans	-87.8	72.9	178.2	-58.2	-177.2	-173.9	-175.7	2.9	109.4	E267 P299 Q300 Q356 P357	E267-R297 HydrophobicContact CG-CB 4.05Å; E267-R297 PolarHBondContact OE2-N 3.49Å; R297-P299 VanDerWaalsContact O-N 3.1Å; R297-Q300 HydrophobicContact CB-CG 3.85Å; R297-Q300 WeakPolarHBondContact O-CB 3.26Å; R297-Q300 PolarHBondContact O-N 3.33Å; R297-Q356 WeakPolarHBondContact CD-O 3.31Å; R297-Q356 PolarHBondContact NH1-O 3.34Å; R297-P357 PolarHBondContact NH1-O 3.02Å
298	L	89.8	Confident	90.8	Very high	9 Å²	9	52.1 Å²	52.1	5%	0.047	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-48	-37.5	-178.5	-55.9	-179.7	0	0	0	114.3	F293 L296 Q300 I301 L306 L325 V326 A329	F293-L298 HydrophobicContact CE1-CD1 3.81Å; F293-L298 HydrophobicContact CE1-CD2 4.32Å; F293-L298 HydrophobicContact CE2-CD2 4.13Å; F293-L298 HydrophobicContact CZ-CD1 3.96Å; F293-L298 HydrophobicContact CZ-CD2 3.79Å; L296-L298 VanDerWaalsContact C-N 3.29Å; L296-L298 HydrophobicContact CB-CD2 4.21Å; L296-L298 PolarHBondContact O-N 3.33Å; L298-Q300 PolarHBondContact O-N 2.95Å; L298-Q300 VanDerWaalsContact O-N 3.1Å; L298-I301 HydrophobicContact CD2-CD1 4.1Å; L298-I301 WeakPolarHBondContact O-CB 3.41Å; L298-I301 PolarHBondContact O-N 3.02Å; L298-L306 HydrophobicContact CB-CD2 4.5Å; L298-L306 HydrophobicContact CD2-CD2 4.49Å; L298-L325 HydrophobicContact CD1-CB 3.72Å; L298-V326 HydrophobicContact CD1-CG2 4.28Å; L298-A329 HydrophobicContact CB-CB 3.77Å
299	P	86.9	Confident	90.8	Very high	15 Å²	15	51.5 Å²	51.5	10%	0.097	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-64.9	-9.2	176	-22.6	34.9	0	0	0	115.8	R297 H333 F355	R297-P299 VanDerWaalsContact O-N 3.1Å; P299-H333 PolarHBondContact O-CE1 2.84Å; P299-H333 PolarHBondContact O-NE2 3.14Å; P299-F355 HydrophobicContact CB-CD1 3.48Å; P299-F355 VanDerWaalsContact CB-CD1 3.48Å; P299-F355 HydrophobicContact CB-CE1 3.5Å; P299-F355 HydrophobicContact CB-CG 4.22Å; P299-F355 HydrophobicContact CB-CZ 4.24Å; P299-F355 HydrophobicContact CG-CD1 4.13Å; P299-F355 HydrophobicContact CG-CE1 3.93Å; P299-F355 HydrophobicContact CG-CZ 4.17Å
300	Q	87.1	Confident	90.6	Very high	20 Å²	20	51.2 Å²	51.2	9%	0.093	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-90.2	-16	172.4	-57.2	-49.7	-53.2	0	0	113.2	E267 R297 L298 S354 F355 Y388	E267-Q300 HydrophobicContact CB-CB 4.27Å; E267-Q300 HydrophobicContact CG-CB 3.75Å; E267-Q300 HydrophobicContact CG-CG 4.22Å; R297-Q300 HydrophobicContact CB-CG 3.85Å; R297-Q300 WeakPolarHBondContact O-CB 3.26Å; R297-Q300 PolarHBondContact O-N 3.33Å; L298-Q300 PolarHBondContact O-N 2.95Å; L298-Q300 VanDerWaalsContact O-N 3.1Å; Q300-S354 PolarHBondContact NE2-O 3.23Å; Q300-F355 VanDerWaalsContact NE2-CA 3.34Å; Q300-F355 PolarHBondContact NE2-O 3.32Å; Q300-Y388 PolarHBondContact NE2-OH 3.42Å; Q300-Y388 VanDerWaalsContact OE1-CZ 3.27Å; Q300-Y388 PolarHBondContact OE1-OH 3.02Å
301	I	90	Very high	90.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	-78.4	138.2	-179.7	-63.4	178.2	0	0	0	108.7	E267 E268 L298 Y305 L306 H333	E267-I301 HydrophobicContact CB-CD1 4.36Å; E267-I301 HydrophobicContact CB-CG1 3.74Å; E268-I301 HydrophobicContact CG-CG2 3.9Å; E268-I301 WeakPolarHBondContact OE1-CA 3.32Å; L298-I301 HydrophobicContact CD2-CD1 4.1Å; L298-I301 WeakPolarHBondContact O-CB 3.41Å; L298-I301 PolarHBondContact O-N 3.02Å; I301-Y305 HydrophobicContact CG2-CD1 3.67Å; I301-Y305 HydrophobicContact CG2-CG 4.21Å; I301-L306 HydrophobicContact CB-CD2 3.82Å; I301-L306 HydrophobicContact CB-CG 3.96Å; I301-L306 HydrophobicContact CD1-CD2 4.2Å; I301-L306 HydrophobicContact CG2-CD2 3.72Å; I301-L306 HydrophobicContact CG2-CG 3.7Å; I301-H333 PolarHBondContact O-NE2 3.09Å; I301-H333 VanDerWaalsContact O-NE2 3.13Å
302	K	86.9	Confident	90.3	Very high	141 Å²	141	54.8 Å²	54.8	61%	0.613	27%	0.266	S	S	*	.			trans	-57.8	136.7	179.4	-68.4	177.3	-177.9	174.8	0	110.8	E268 T304 Y305 L306	E268-K302 PolarHBondContact OE1-N 3.31Å; K302-T304 PolarHBondContact O-N 2.85Å; K302-T304 VanDerWaalsContact O-N 3.08Å; K302-Y305 WeakPolarHBondContact O-CA 3.32Å; K302-Y305 WeakPolarHBondContact O-CB 3.41Å; K302-Y305 PolarHBondContact O-N 3.3Å; K302-L306 PolarHBondContact O-N 3.41Å
303	P	86.1	Confident	90.2	Very high	62 Å²	62	57 Å²	57	40%	0.403	28%	0.277	S	S	.	.	H	α-helix	trans	-55.7	-34	-179	-26.8	32.8	0	0	0	113.8	Y305 A307 H333	P303-Y305 VanDerWaalsContact C-N 3.34Å; P303-A307 WeakPolarHBondContact O-CB 3.45Å; P303-A307 PolarHBondContact O-N 2.95Å; P303-H333 HydrophobicContact CG-CB 3.9Å
304	T	87.4	Confident	90.1	Very high	99 Å²	99	67.3 Å²	67.3	61%	0.607	32%	0.316	S	S	*	.	H	α-helix	trans	-64.2	-37.5	176	50	0	0	0	0	112.4	K302 R308	K302-T304 PolarHBondContact O-N 2.85Å; K302-T304 VanDerWaalsContact O-N 3.08Å; T304-R308 VanDerWaalsContact O-CB 3.25Å; T304-R308 WeakPolarHBondContact O-CB 3.39Å; T304-R308 VanDerWaalsContact O-CG 3.3Å; T304-R308 WeakPolarHBondContact O-CG 3.41Å; T304-R308 PolarHBondContact O-N 3.21Å; T304-R308 VanDerWaalsContact O-N 3.14Å
305	Y	91.1	Very high	90	Very high	45 Å²	45	62.4 Å²	62.4	18%	0.176	30%	0.3	C	S	.	.	H	α-helix	trans	-76	-41.4	178.1	-167.8	-83.9	0	0	0	111.2	E268 F271 E272 I301 K302 P303 A307 R308 V309 V310	E268-Y305 HydrophobicContact CB-CD1 4.47Å; E268-Y305 HydrophobicContact CB-CE1 4.14Å; E268-Y305 HydrophobicContact CB-CE2 4.42Å; E268-Y305 HydrophobicContact CG-CD1 3.69Å; E268-Y305 HydrophobicContact CG-CD2 4.08Å; E268-Y305 HydrophobicContact CG-CE1 3.86Å; E268-Y305 HydrophobicContact CG-CE2 4.21Å; E268-Y305 HydrophobicContact CG-CG 3.81Å; F271-Y305 HydrophobicContact CD1-CE1 4.12Å; E272-Y305 WeakPolarHBondContact CG-OH 3.46Å; E272-Y305 PolarHBondContact OE1-OH 3.05Å; I301-Y305 HydrophobicContact CG2-CD1 3.67Å; I301-Y305 HydrophobicContact CG2-CG 4.21Å; K302-Y305 WeakPolarHBondContact O-CA 3.32Å; K302-Y305 WeakPolarHBondContact O-CB 3.41Å; K302-Y305 PolarHBondContact O-N 3.3Å; P303-Y305 VanDerWaalsContact C-N 3.34Å; Y305-A307 VanDerWaalsContact C-N 3.35Å; Y305-A307 PolarHBondContact O-N 2.9Å; Y305-R308 PolarHBondContact O-N 3.41Å; Y305-V309 HydrophobicContact CD1-CB 4.11Å; Y305-V309 HydrophobicContact CD2-CB 4.3Å; Y305-V309 HydrophobicContact CD2-CG2 3.93Å; Y305-V309 HydrophobicContact CE1-CB 3.92Å; Y305-V309 HydrophobicContact CE1-CG1 3.95Å; Y305-V309 HydrophobicContact CE2-CB 4.15Å; Y305-V309 HydrophobicContact CE2-CG1 4.21Å; Y305-V309 HydrophobicContact CE2-CG2 3.92Å; Y305-V309 HydrophobicContact CG-CB 4.3Å; Y305-V309 HydrophobicContact CG-CG2 4.3Å; Y305-V309 WeakPolarHBondContact O-CA 3.41Å; Y305-V309 WeakPolarHBondContact O-CB 3.34Å; Y305-V309 PolarHBondContact O-N 3.06Å; Y305-V310 HydrophobicContact CD1-CG2 3.68Å; Y305-V310 HydrophobicContact CE1-CG2 3.7Å; Y305-V310 PolarHBondContact O-N 3.04Å
306	L	91.1	Very high	89.9	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-54.5	-49.9	173	-73.1	176.5	0	0	0	111.6	L298 I301 K302 V310 K311 A329 V330	L298-L306 HydrophobicContact CB-CD2 4.5Å; L298-L306 HydrophobicContact CD2-CD2 4.49Å; I301-L306 HydrophobicContact CB-CD2 3.82Å; I301-L306 HydrophobicContact CB-CG 3.96Å; I301-L306 HydrophobicContact CD1-CD2 4.2Å; I301-L306 HydrophobicContact CG2-CD2 3.72Å; I301-L306 HydrophobicContact CG2-CG 3.7Å; K302-L306 PolarHBondContact O-N 3.41Å; L306-V310 HydrophobicContact CD2-CB 4.33Å; L306-V310 HydrophobicContact CD2-CG1 4.49Å; L306-V310 HydrophobicContact CD2-CG2 4.18Å; L306-K311 WeakPolarHBondContact O-CB 3.4Å; L306-K311 PolarHBondContact O-N 2.84Å; L306-A329 HydrophobicContact CD1-CB 4.04Å; L306-V330 HydrophobicContact CB-CG2 4.11Å; L306-V330 HydrophobicContact CD1-CG2 4.13Å
307	A	87.9	Confident	89.8	Confident	53 Å²	53	62.2 Å²	62.2	44%	0.438	31%	0.307	S	S	.	.	H	α-helix	trans	-73.5	-35.5	-175.6	0	0	0	0	0	113.7	P303 Y305	P303-A307 WeakPolarHBondContact O-CB 3.45Å; P303-A307 PolarHBondContact O-N 2.95Å; Y305-A307 VanDerWaalsContact C-N 3.35Å; Y305-A307 PolarHBondContact O-N 2.9Å
308	R	89.6	Confident	89.7	Confident	195 Å²	195	65 Å²	65	74%	0.736	33%	0.332	S	S	*	.	H	α-helix	trans	-92.5	-35.5	-174	-69.2	176.8	62.3	-175.4	-2.7	114	T304 Y305 N312	T304-R308 VanDerWaalsContact O-CB 3.25Å; T304-R308 WeakPolarHBondContact O-CB 3.39Å; T304-R308 VanDerWaalsContact O-CG 3.3Å; T304-R308 WeakPolarHBondContact O-CG 3.41Å; T304-R308 PolarHBondContact O-N 3.21Å; T304-R308 VanDerWaalsContact O-N 3.14Å; Y305-R308 PolarHBondContact O-N 3.41Å; R308-N312 PolarHBondContact O-ND2 3.47Å
309	V	92.4	Very high	89.8	Confident	55 Å²	55	66.2 Å²	66.2	33%	0.333	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-64.1	-171.6	-175	0	0	0	0	109.8	Y305 K311 N312 E313	Y305-V309 HydrophobicContact CD1-CB 4.11Å; Y305-V309 HydrophobicContact CD2-CB 4.3Å; Y305-V309 HydrophobicContact CD2-CG2 3.93Å; Y305-V309 HydrophobicContact CE1-CB 3.92Å; Y305-V309 HydrophobicContact CE1-CG1 3.95Å; Y305-V309 HydrophobicContact CE2-CB 4.15Å; Y305-V309 HydrophobicContact CE2-CG1 4.21Å; Y305-V309 HydrophobicContact CE2-CG2 3.92Å; Y305-V309 HydrophobicContact CG-CB 4.3Å; Y305-V309 HydrophobicContact CG-CG2 4.3Å; Y305-V309 WeakPolarHBondContact O-CA 3.41Å; Y305-V309 WeakPolarHBondContact O-CB 3.34Å; Y305-V309 PolarHBondContact O-N 3.06Å; V309-K311 PolarHBondContact O-N 3.32Å; V309-N312 PolarHBondContact O-N 3.44Å; V309-E313 PolarHBondContact O-N 3Å; V309-E313 VanDerWaalsContact O-N 3.15Å
310	V	91.7	Very high	90	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-60	-46.7	-171.8	-178.2	0	0	0	0	111.9	F271 F293 Y305 L306 N312 E313 V316 V326	F271-V310 HydrophobicContact CD1-CG2 4.09Å; F271-V310 HydrophobicContact CD2-CG1 4.36Å; F271-V310 HydrophobicContact CD2-CG2 4.49Å; F271-V310 HydrophobicContact CE1-CG2 3.98Å; F271-V310 HydrophobicContact CE2-CG1 3.88Å; F271-V310 HydrophobicContact CE2-CG2 4.4Å; F271-V310 HydrophobicContact CG-CG2 4.34Å; F271-V310 HydrophobicContact CZ-CB 4.26Å; F271-V310 HydrophobicContact CZ-CG1 4.07Å; F271-V310 HydrophobicContact CZ-CG2 4.14Å; F293-V310 HydrophobicContact CE2-CG1 3.98Å; F293-V310 HydrophobicContact CZ-CG1 4Å; Y305-V310 HydrophobicContact CD1-CG2 3.68Å; Y305-V310 HydrophobicContact CE1-CG2 3.7Å; Y305-V310 PolarHBondContact O-N 3.04Å; L306-V310 HydrophobicContact CD2-CB 4.33Å; L306-V310 HydrophobicContact CD2-CG1 4.49Å; L306-V310 HydrophobicContact CD2-CG2 4.18Å; V310-N312 VanDerWaalsContact C-N 3.25Å; V310-N312 PolarHBondContact O-N 3.43Å; V310-E313 PolarHBondContact O-N 2.98Å; V310-V316 HydrophobicContact CG1-CG2 4.42Å; V310-V316 WeakPolarHBondContact O-CB 3.46Å; V310-V326 HydrophobicContact CG1-CG2 3.84Å
311	K	90.2	Very high	90.1	Very high	105 Å²	105	72.7 Å²	72.7	46%	0.457	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-62.8	-30.3	179	-173.9	174.8	179.1	174.4	0	113.5	L306 V309 L323 V326	L306-K311 WeakPolarHBondContact O-CB 3.4Å; L306-K311 PolarHBondContact O-N 2.84Å; V309-K311 PolarHBondContact O-N 3.32Å; K311-L323 HydrophobicContact CG-CD2 4.19Å; K311-V326 HydrophobicContact CB-CG1 4.31Å
312	N	90.6	Very high	90.2	Very high	114 Å²	114	72.8 Å²	72.8	61%	0.61	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-92.2	-6.1	-175.5	-68.2	-28.3	0	0	0	113.2	R308 V309 V310	R308-N312 PolarHBondContact O-ND2 3.47Å; V309-N312 PolarHBondContact O-N 3.44Å; V310-N312 VanDerWaalsContact C-N 3.25Å; V310-N312 PolarHBondContact O-N 3.43Å
313	E	93.3	Very high	90.4	Very high	48 Å²	48	68.4 Å²	68.4	22%	0.224	35%	0.354	C	S	.	.	S	Bend	trans	-68.4	137	178.7	-174.6	51.4	-129.5	0	0	111.1	F271 V275 V309 V310 L315 V316 A317	F271-E313 HydrophobicContact CZ-CB 4Å; F271-E313 HydrophobicContact CZ-CG 4.03Å; V275-E313 HydrophobicContact CG2-CG 4.26Å; V309-E313 PolarHBondContact O-N 3Å; V309-E313 VanDerWaalsContact O-N 3.15Å; V310-E313 PolarHBondContact O-N 2.98Å; E313-L315 VanDerWaalsContact C-N 3.31Å; E313-L315 PolarHBondContact O-N 3.3Å; E313-V316 HydrophobicContact CB-CB 4.45Å; E313-V316 HydrophobicContact CB-CG2 4.19Å; E313-V316 PolarHBondContact O-N 3.07Å; E313-A317 WeakPolarHBondContact O-CB 3.47Å; E313-A317 PolarHBondContact O-N 3Å
314	R	90.6	Very high	90.6	Very high	216 Å²	216	72.8 Å²	72.8	82%	0.815	36%	0.362	S	S	*	.	H	α-helix	trans	-61.7	-38	-169.8	-67.3	-177.9	-179.5	179.3	0.8	113.1	V316 S318	R314-V316 VanDerWaalsContact C-N 3.31Å; R314-S318 WeakPolarHBondContact O-CB 3.19Å; R314-S318 PolarHBondContact O-N 3.07Å; R314-S318 VanDerWaalsContact O-N 3.15Å; R314-S318 PolarHBondContact O-OG 3.15Å
315	L	89.6	Confident	90.6	Very high	36 Å²	36	70.5 Å²	70.5	19%	0.188	35%	0.346	C	S	.	.	H	α-helix	trans	-70.2	-28	179.4	-63.5	173.8	0	0	0	112.6	V278 F289 E313 S318	V278-L315 HydrophobicContact CB-CD1 4.21Å; V278-L315 HydrophobicContact CG1-CD1 3.88Å; V278-L315 HydrophobicContact CG1-CD2 4.48Å; F289-L315 HydrophobicContact CD1-CB 3.88Å; F289-L315 HydrophobicContact CD2-CB 4.2Å; F289-L315 HydrophobicContact CD2-CD1 3.89Å; F289-L315 HydrophobicContact CE1-CB 3.6Å; F289-L315 WeakPolarHBondContact CE1-O 3.34Å; F289-L315 HydrophobicContact CE2-CB 3.93Å; F289-L315 HydrophobicContact CE2-CD1 3.92Å; F289-L315 HydrophobicContact CG-CB 4.17Å; F289-L315 HydrophobicContact CG-CD1 4.39Å; F289-L315 HydrophobicContact CZ-CB 3.62Å; F289-L315 HydrophobicContact CZ-CD1 4.47Å; E313-L315 VanDerWaalsContact C-N 3.31Å; E313-L315 PolarHBondContact O-N 3.3Å; L315-S318 PolarHBondContact O-OG 3.07Å
316	V	91.6	Very high	90.6	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-82.2	-45.9	176.1	178.9	0	0	0	0	109.6	F271 F289 F293 V310 E313 R314 S318 N319 C322 L323 V326	F271-V316 HydrophobicContact CE2-CG2 4.12Å; F271-V316 HydrophobicContact CZ-CG2 4.45Å; F289-V316 HydrophobicContact CE1-CG2 3.99Å; F289-V316 HydrophobicContact CZ-CG2 3.72Å; F293-V316 HydrophobicContact CD2-CG2 4.42Å; F293-V316 HydrophobicContact CE2-CG2 3.9Å; F293-V316 HydrophobicContact CZ-CG1 4.47Å; F293-V316 HydrophobicContact CZ-CG2 4.28Å; V310-V316 HydrophobicContact CG1-CG2 4.42Å; V310-V316 WeakPolarHBondContact O-CB 3.46Å; E313-V316 HydrophobicContact CB-CB 4.45Å; E313-V316 HydrophobicContact CB-CG2 4.19Å; E313-V316 PolarHBondContact O-N 3.07Å; R314-V316 VanDerWaalsContact C-N 3.31Å; V316-S318 PolarHBondContact O-N 3.05Å; V316-N319 PolarHBondContact O-N 3.38Å; V316-C322 HydrophobicContact CG1-CB 3.97Å; V316-L323 HydrophobicContact CG1-CD2 4.14Å; V316-L323 HydrophobicContact CG1-CG 4.48Å; V316-V326 HydrophobicContact CG1-CG2 4.26Å
317	A	90.3	Very high	90.4	Very high	55 Å²	55	71 Å²	71	46%	0.455	36%	0.356	S	S	.	.	H	α-helix	trans	-63.6	-27.2	-178.5	0	0	0	0	0	113.6	E313	E313-A317 WeakPolarHBondContact O-CB 3.47Å; E313-A317 PolarHBondContact O-N 3Å
318	S	89.8	Confident	90.3	Very high	98 Å²	98	73.7 Å²	73.7	69%	0.685	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-16.7	175.5	62.6	0	0	0	0	113.9	R314 L315 V316	R314-S318 WeakPolarHBondContact O-CB 3.19Å; R314-S318 PolarHBondContact O-N 3.07Å; R314-S318 VanDerWaalsContact O-N 3.15Å; R314-S318 PolarHBondContact O-OG 3.15Å; L315-S318 PolarHBondContact O-OG 3.07Å; V316-S318 PolarHBondContact O-N 3.05Å
319	N	91.9	Very high	90.2	Very high	34 Å²	34	64.7 Å²	64.7	18%	0.182	33%	0.327	C	S	.	.			trans	-114	110.3	-176.5	-168.6	-36.3	0	0	0	111.6	E290 V316 A321 C322 L323	E290-N319 PolarHBondContact OE2-ND2 3.26Å; V316-N319 PolarHBondContact O-N 3.38Å; N319-A321 VanDerWaalsContact C-N 3.27Å; N319-A321 PolarHBondContact O-N 3.17Å; N319-A321 VanDerWaalsContact OD1-CB 3.3Å; N319-A321 WeakPolarHBondContact OD1-CB 3.26Å; N319-A321 PolarHBondContact OD1-N 3.15Å; N319-C322 HydrophobicContact CB-CB 4.21Å; N319-C322 PolarHBondContact O-N 2.91Å; N319-C322 PolarHBondContact OD1-N 2.86Å; N319-L323 PolarHBondContact O-N 3.1Å; N319-L323 VanDerWaalsContact O-N 3.15Å
320	E	89.9	Confident	89.9	Confident	155 Å²	155	64.9 Å²	64.9	72%	0.724	33%	0.328	S	S	*	.	H	α-helix	trans	-61.2	-33	-179.7	-168.2	178.8	176.5	0	0	113	L323 R324	E320-L323 PolarHBondContact O-N 3.07Å; E320-R324 WeakPolarHBondContact O-CG 3.32Å; E320-R324 PolarHBondContact O-N 3.25Å; E320-R324 VanDerWaalsContact O-N 3.07Å
321	A	90.9	Very high	89.4	Confident	16 Å²	16	70.8 Å²	70.8	13%	0.132	36%	0.356	C	S	.	.	H	α-helix	trans	-65.1	-41.6	176.8	0	0	0	0	0	111.7	N319 R324 L325	N319-A321 VanDerWaalsContact C-N 3.27Å; N319-A321 PolarHBondContact O-N 3.17Å; N319-A321 VanDerWaalsContact OD1-CB 3.3Å; N319-A321 WeakPolarHBondContact OD1-CB 3.26Å; N319-A321 PolarHBondContact OD1-N 3.15Å; A321-R324 PolarHBondContact O-N 3.03Å; A321-L325 WeakPolarHBondContact O-CG 3.35Å; A321-L325 PolarHBondContact O-N 3.47Å
322	C	91.3	Very high	88.8	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.007	34%	0.337	C	S	.	.	H	α-helix	trans	-66.3	-41	176.8	-61	0	0	0	0	111.6	F293 V316 N319 R324 L325 V326	F293-C322 HydrophobicContact CD1-CB 3.71Å; F293-C322 VanDerWaalsContact CD1-SG 3.56Å; F293-C322 HydrophobicContact CE1-CB 3.66Å; F293-C322 HydrophobicContact CG-CB 4.42Å; F293-C322 HydrophobicContact CZ-CB 4.36Å; V316-C322 HydrophobicContact CG1-CB 3.97Å; N319-C322 HydrophobicContact CB-CB 4.21Å; N319-C322 PolarHBondContact O-N 2.91Å; N319-C322 PolarHBondContact OD1-N 2.86Å; C322-R324 VanDerWaalsContact C-N 3.34Å; C322-R324 PolarHBondContact O-N 3.02Å; C322-L325 PolarHBondContact O-N 3.38Å; C322-V326 WeakPolarHBondContact O-CG2 3.36Å; C322-V326 PolarHBondContact O-N 3.37Å
323	L	91.2	Very high	88.1	Confident	49 Å²	49	62.4 Å²	62.4	26%	0.257	32%	0.316	S	S	.	.	H	α-helix	trans	-62.9	-36.9	176.8	-75.8	171.7	0	0	0	113.2	K311 V316 N319 E320 V326 S327	K311-L323 HydrophobicContact CG-CD2 4.19Å; V316-L323 HydrophobicContact CG1-CD2 4.14Å; V316-L323 HydrophobicContact CG1-CG 4.48Å; N319-L323 PolarHBondContact O-N 3.1Å; N319-L323 VanDerWaalsContact O-N 3.15Å; E320-L323 PolarHBondContact O-N 3.07Å; L323-V326 PolarHBondContact O-N 3.32Å; L323-S327 PolarHBondContact O-N 3.46Å; L323-S327 PolarHBondContact O-OG 3.13Å
324	R	90.1	Very high	87.2	Confident	155 Å²	155	62.6 Å²	62.6	59%	0.585	33%	0.326	S	S	*	.	H	α-helix	trans	-62.2	-48.6	173.8	-74	-170.7	-59.7	170.9	2.2	111.4	E320 A321 C322 V326 S327 E328	E320-R324 WeakPolarHBondContact O-CG 3.32Å; E320-R324 PolarHBondContact O-N 3.25Å; E320-R324 VanDerWaalsContact O-N 3.07Å; A321-R324 PolarHBondContact O-N 3.03Å; C322-R324 VanDerWaalsContact C-N 3.34Å; C322-R324 PolarHBondContact O-N 3.02Å; R324-V326 VanDerWaalsContact C-N 3.3Å; R324-V326 PolarHBondContact O-N 2.6Å; R324-S327 PolarHBondContact O-N 2.68Å; R324-E328 WeakPolarHBondContact O-CG 3.42Å; R324-E328 PolarHBondContact O-N 3.04Å
325	L	88.6	Confident	86.2	Confident	51 Å²	51	55.3 Å²	55.3	27%	0.267	30%	0.303	S	S	.	.	H	α-helix	trans	-59	-39.4	177.9	-67.8	172.2	0	0	0	112.6	F293 R294 L298 A321 C322 A329	F293-L325 HydrophobicContact CD1-CD1 4.23Å; F293-L325 HydrophobicContact CE1-CB 4.34Å; F293-L325 HydrophobicContact CE1-CD1 4.41Å; R294-L325 HydrophobicContact CG-CD1 3.96Å; L298-L325 HydrophobicContact CD1-CB 3.72Å; A321-L325 WeakPolarHBondContact O-CG 3.35Å; A321-L325 PolarHBondContact O-N 3.47Å; C322-L325 PolarHBondContact O-N 3.38Å; L325-A329 WeakPolarHBondContact O-CB 3.45Å; L325-A329 PolarHBondContact O-N 3.23Å
326	V	90.1	Very high	85.1	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.012	31%	0.314	C	S	.	.	H	α-helix	trans	-65.6	-41.2	175.5	174.7	0	0	0	0	111.3	F293 L298 V310 K311 V316 C322 L323 R324 A329 V330	F293-V326 HydrophobicContact CE1-CG2 4.19Å; F293-V326 HydrophobicContact CZ-CG2 3.7Å; L298-V326 HydrophobicContact CD1-CG2 4.28Å; V310-V326 HydrophobicContact CG1-CG2 3.84Å; K311-V326 HydrophobicContact CB-CG1 4.31Å; V316-V326 HydrophobicContact CG1-CG2 4.26Å; C322-V326 WeakPolarHBondContact O-CG2 3.36Å; C322-V326 PolarHBondContact O-N 3.37Å; L323-V326 PolarHBondContact O-N 3.32Å; R324-V326 VanDerWaalsContact C-N 3.3Å; R324-V326 PolarHBondContact O-N 2.6Å; V326-A329 PolarHBondContact O-N 3.07Å; V326-V330 WeakPolarHBondContact O-CG2 3.48Å; V326-V330 PolarHBondContact O-N 3.41Å
327	S	87.3	Confident	83.3	Confident	53 Å²	53	67 Å²	67	37%	0.371	35%	0.349	S	S	.	.	H	α-helix	trans	-66.5	-44.7	179.6	-55.2	0	0	0	0	111.2	L323 R324 A329 V330 E331	L323-S327 PolarHBondContact O-N 3.46Å; L323-S327 PolarHBondContact O-OG 3.13Å; R324-S327 PolarHBondContact O-N 2.68Å; S327-A329 VanDerWaalsContact C-N 3.32Å; S327-A329 PolarHBondContact O-N 3.37Å; S327-V330 PolarHBondContact O-N 3.35Å; S327-E331 WeakPolarHBondContact O-CG 3.36Å; S327-E331 PolarHBondContact O-N 3.25Å
328	E	85.8	Confident	81.5	Confident	110 Å²	110	71.8 Å²	71.8	51%	0.514	36%	0.362	S	S	.	.	H	α-helix	trans	-58.8	-41.2	173.6	-72	171.3	-169.6	0	0	112	R324 E331 G332	R324-E328 WeakPolarHBondContact O-CG 3.42Å; R324-E328 PolarHBondContact O-N 3.04Å; E328-E331 PolarHBondContact O-N 3.05Å; E328-G332 PolarHBondContact O-N 2.96Å
329	A	86.6	Confident	79.4	Confident	6 Å²	6	71.5 Å²	71.5	5%	0.05	35%	0.353	C	S	.	.	H	α-helix	trans	-64.5	-42.3	176.6	0	0	0	0	0	112.1	L298 L306 L325 V326 S327 G332 H333	L298-A329 HydrophobicContact CB-CB 3.77Å; L306-A329 HydrophobicContact CD1-CB 4.04Å; L325-A329 WeakPolarHBondContact O-CB 3.45Å; L325-A329 PolarHBondContact O-N 3.23Å; V326-A329 PolarHBondContact O-N 3.07Å; S327-A329 VanDerWaalsContact C-N 3.32Å; S327-A329 PolarHBondContact O-N 3.37Å; A329-G332 PolarHBondContact O-N 3.35Å; A329-H333 PolarHBondContact O-CD2 3.39Å; A329-H333 PolarHBondContact O-N 3.27Å
330	V	85.9	Confident	77.3	Confident	59 Å²	59	76.6 Å²	76.6	36%	0.358	38%	0.379	S	S	.	.	H	α-helix	trans	-64.5	-41.4	176.7	172.5	0	0	0	0	111.3	L306 V326 S327 H333 A334	L306-V330 HydrophobicContact CB-CG2 4.11Å; L306-V330 HydrophobicContact CD1-CG2 4.13Å; V326-V330 WeakPolarHBondContact O-CG2 3.48Å; V326-V330 PolarHBondContact O-N 3.41Å; S327-V330 PolarHBondContact O-N 3.35Å; V330-H333 WeakPolarHBondContact O-CB 3.3Å; V330-H333 PolarHBondContact O-N 3.24Å; V330-A334 PolarHBondContact O-N 3.39Å; V330-A334 VanDerWaalsContact O-N 3.13Å
331	E	81.8	Confident	74.9	Confident	123 Å²	123	77.7 Å²	77.7	58%	0.575	38%	0.382	S	S	*	.	H	α-helix	trans	-62.7	-44.2	173.2	-72.6	176.6	-170.1	0	0	111.5	S327 E328 H333 A334 I335	S327-E331 WeakPolarHBondContact O-CG 3.36Å; S327-E331 PolarHBondContact O-N 3.25Å; E328-E331 PolarHBondContact O-N 3.05Å; E331-H333 VanDerWaalsContact C-N 3.27Å; E331-H333 PolarHBondContact O-N 3.32Å; E331-A334 WeakPolarHBondContact O-CB 3.49Å; E331-A334 PolarHBondContact O-N 3.32Å; E331-I335 WeakPolarHBondContact O-CG1 3.43Å; E331-I335 PolarHBondContact O-N 3.29Å
332	G	77.2	Confident	72.9	Confident	7 Å²	7	82.9 Å²	82.9	7%	0.072	42%	0.417	C	S	.	.	H	α-helix	trans	-57.5	-37.7	174.6	0	0	0	0	0	113	E328 A329 R336	E328-G332 PolarHBondContact O-N 2.96Å; A329-G332 PolarHBondContact O-N 3.35Å; G332-R336 WeakPolarHBondContact O-CB 3.49Å; G332-R336 PolarHBondContact O-N 3.39Å
333	H	77.4	Confident	70.4	Confident	36 Å²	36	86.9 Å²	86.9	17%	0.167	45%	0.45	C	S	.	.	H	α-helix	trans	-66	-40.5	173	-79.6	-69.3	0	0	0	113.2	P299 I301 P303 A329 V330 E331 F337	P299-H333 PolarHBondContact O-CE1 2.84Å; P299-H333 PolarHBondContact O-NE2 3.14Å; I301-H333 PolarHBondContact O-NE2 3.09Å; I301-H333 VanDerWaalsContact O-NE2 3.13Å; P303-H333 HydrophobicContact CG-CB 3.9Å; A329-H333 PolarHBondContact O-CD2 3.39Å; A329-H333 PolarHBondContact O-N 3.27Å; V330-H333 WeakPolarHBondContact O-CB 3.3Å; V330-H333 PolarHBondContact O-N 3.24Å; E331-H333 VanDerWaalsContact C-N 3.27Å; E331-H333 PolarHBondContact O-N 3.32Å; H333-F337 WeakPolarHBondContact O-CB 3.41Å; H333-F337 PolarHBondContact O-N 3.49Å; H333-F337 VanDerWaalsContact O-N 3.11Å
334	A	74.4	Confident	68.1	Low	52 Å²	52	89.9 Å²	89.9	43%	0.43	47%	0.466	S	S	.	.	H	α-helix	trans	-64	-45.1	176.8	0	0	0	0	0	111.1	V330 E331 R336 F337 E338	V330-A334 PolarHBondContact O-N 3.39Å; V330-A334 VanDerWaalsContact O-N 3.13Å; E331-A334 WeakPolarHBondContact O-CB 3.49Å; E331-A334 PolarHBondContact O-N 3.32Å; A334-R336 PolarHBondContact O-N 2.8Å; A334-F337 WeakPolarHBondContact O-CB 3.44Å; A334-F337 PolarHBondContact O-N 3.22Å; A334-F337 VanDerWaalsContact O-N 3.16Å; A334-E338 PolarHBondContact O-N 2.81Å; A334-E338 VanDerWaalsContact O-N 3.09Å
335	I	69.7	Low	65.9	Low	64 Å²	64	89 Å²	89	33%	0.328	47%	0.47	S	S	.	.	H	α-helix	trans	-64.5	-42.6	178.7	-63.3	166.5	0	0	0	111.2	E331 F337 E338 N339 W348	E331-I335 WeakPolarHBondContact O-CG1 3.43Å; E331-I335 PolarHBondContact O-N 3.29Å; I335-F337 PolarHBondContact O-N 2.96Å; I335-E338 PolarHBondContact O-N 3.38Å; I335-E338 VanDerWaalsContact O-N 3.14Å; I335-N339 WeakPolarHBondContact O-CB 3.39Å; I335-N339 PolarHBondContact O-N 3.22Å; I335-W348 HydrophobicContact CD1-CZ2 4.48Å
336	R	64.9	Low	63.8	Low	115 Å²	115	95.2 Å²	95.2	43%	0.434	50%	0.498	S	S	.	.	H	α-helix	trans	-62.7	-31.7	176	-171	177.6	179.6	-177.3	-1	112.1	G332 A334 Y388	G332-R336 WeakPolarHBondContact O-CB 3.49Å; G332-R336 PolarHBondContact O-N 3.39Å; A334-R336 PolarHBondContact O-N 2.8Å; R336-Y388 PolarHBondContact NH1-OH 2.9Å
337	F	55.2	Low	61.6	Low	166 Å²	166	102.5 Å²	102.5	73%	0.728	53%	0.53	S	S	*	.	H	α-helix	trans	-72.3	-31.8	176.1	-163	-92.4	0	0	0	112.3	H333 A334 I335	H333-F337 WeakPolarHBondContact O-CB 3.41Å; H333-F337 PolarHBondContact O-N 3.49Å; H333-F337 VanDerWaalsContact O-N 3.11Å; A334-F337 WeakPolarHBondContact O-CB 3.44Å; A334-F337 PolarHBondContact O-N 3.22Å; A334-F337 VanDerWaalsContact O-N 3.16Å; I335-F337 PolarHBondContact O-N 2.96Å
338	E	52.6	Low	59.7	Low	156 Å²	156	104 Å²	104	73%	0.729	53%	0.528	S	S	*	.	H	α-helix	trans	-85.6	-34.2	179.3	-69.9	-178.8	170.6	0	0	113.2	A334 I335 L340	A334-E338 PolarHBondContact O-N 2.81Å; A334-E338 VanDerWaalsContact O-N 3.09Å; I335-E338 PolarHBondContact O-N 3.38Å; I335-E338 VanDerWaalsContact O-N 3.14Å; E338-L340 PolarHBondContact O-N 3.49Å
339	N	44.8	Very low	57.7	Low	92 Å²	92	102.1 Å²	102.1	49%	0.492	53%	0.526	S	S	.	.			trans	-93.7	75.9	-175.5	-76.9	-21.5	0	0	0	113.5	I335	I335-N339 WeakPolarHBondContact O-CB 3.39Å; I335-N339 PolarHBondContact O-N 3.22Å
340	L	48.1	Very low	55.8	Low	140 Å²	140	106.6 Å²	106.6	73%	0.733	56%	0.558	S	S	*	*			trans	-91.8	31.3	148.4	-155.8	80.4	0	0	0	111	E338	E338-L340 PolarHBondContact O-N 3.49Å
341	K	40.1	Very low	54.2	Low	179 Å²	179	108.1 Å²	108.1	78%	0.778	56%	0.56	S	S	*	*	S	Bend	trans	-130.8	119.9	171.1	-71.1	-173	-179.2	178.3	0	109.5
342	S	48.5	Very low	53	Low	124 Å²	124	106.4 Å²	106.4	87%	0.867	55%	0.554	S	S	*	*			trans	-57.1	128.3	179	-36.7	0	0	0	0	111.5
343	A	39	Very low	52.2	Low	85 Å²	85	109.2 Å²	109.2	70%	0.702	58%	0.576	S	S	*	*			trans	-171.9	-35.7	148.8	0	0	0	0	0	113.6	M345	A343-M345 PolarHBondContact O-N 2.81Å
344	D	42.8	Very low	51.7	Low	113 Å²	113	109.4 Å²	109.4	60%	0.604	58%	0.581	S	S	*	*			trans	-103.1	53.3	-165.9	-59	-32.2	0	0	0	113.7
345	M	43.2	Very low	51.7	Low	135 Å²	135	109.3 Å²	109.3	67%	0.665	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-17.3	-176.9	-154	173.2	-79.5	0	0	113.4	A343 S349	A343-M345 PolarHBondContact O-N 2.81Å; M345-S349 PolarHBondContact O-OG 3.07Å; M345-S349 VanDerWaalsContact O-OG 3.05Å
346	E	44.9	Very low	52.2	Low	183 Å²	183	108.5 Å²	108.5	86%	0.855	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-26.7	-177.1	-70.5	-178.5	165.8	0	0	114.1	S349	E346-S349 PolarHBondContact O-OG 2.84Å
347	F	43.3	Very low	53.2	Low	155 Å²	155	103.1 Å²	103.1	68%	0.68	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-32.2	178.7	-173.2	-100.5	0	0	0	112.6
348	W	48.6	Very low	54.9	Low	84 Å²	84	95.3 Å²	95.3	32%	0.318	51%	0.512	S	S	.	.	S	Bend	trans	-91.2	-1.7	-175.4	-63.9	98.4	0	0	0	114.1	I335 S350 H351 M352 F355	I335-W348 HydrophobicContact CD1-CZ2 4.48Å; W348-S350 PolarHBondContact O-N 2.79Å; W348-S350 VanDerWaalsContact O-N 3.17Å; W348-H351 HydrophobicContact CE3-CB 4.17Å; W348-H351 PolarHBondContact O-N 3.4Å; W348-M352 WeakPolarHBondContact O-CG 3.44Å; W348-M352 PolarHBondContact O-N 3.03Å; W348-F355 AromaticContact CE3-CE2 3.79Å; W348-F355 HydrophobicContact CE3-CE2 3.79Å; W348-F355 HydrophobicContact CE3-CZ 4.23Å; W348-F355 AromaticContact CZ3-CE2 3.97Å; W348-F355 HydrophobicContact CZ3-CE2 3.97Å; W348-F355 HydrophobicContact CZ3-CZ 4.05Å
349	S	43.6	Very low	56.6	Low	70 Å²	70	90.5 Å²	90.5	49%	0.49	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-33.9	-174.8	-48.8	0	0	0	0	113.4	M345 E346	M345-S349 PolarHBondContact O-OG 3.07Å; M345-S349 VanDerWaalsContact O-OG 3.05Å; E346-S349 PolarHBondContact O-OG 2.84Å
350	S	45.6	Very low	58.7	Low	101 Å²	101	86.1 Å²	86.1	71%	0.706	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-22.8	176.3	48.9	0	0	0	0	114.1	W348	W348-S350 PolarHBondContact O-N 2.79Å; W348-S350 VanDerWaalsContact O-N 3.17Å
351	H	51.6	Low	60.7	Low	90 Å²	90	80.2 Å²	80.2	42%	0.417	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-9.5	178.9	-69.1	72.4	0	0	0	113	W348 A353 S354 F355	W348-H351 HydrophobicContact CE3-CB 4.17Å; W348-H351 PolarHBondContact O-N 3.4Å; H351-A353 PolarHBondContact O-N 3.08Å; H351-S354 PolarHBondContact O-N 3.08Å; H351-S354 PolarHBondContact O-OG 2.89Å; H351-F355 HydrophobicContact CB-CD2 4.01Å; H351-F355 HydrophobicContact CB-CE2 3.81Å; H351-F355 VanDerWaalsContact O-CD2 3.24Å; H351-F355 WeakPolarHBondContact O-CD2 3.22Å; H351-F355 PolarHBondContact O-N 3.37Å
352	M	57.2	Low	63.1	Low	87 Å²	87	72.9 Å²	72.9	43%	0.429	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-29.3	-173	-60	-163.7	84.2	0	0	113.9	W348 F355 Q356	W348-M352 WeakPolarHBondContact O-CG 3.44Å; W348-M352 PolarHBondContact O-N 3.03Å; M352-F355 PolarHBondContact O-N 3.37Å; M352-Q356 WeakPolarHBondContact O-CG 3.38Å; M352-Q356 PolarHBondContact O-N 3.18Å; M352-Q356 VanDerWaalsContact O-N 3.17Å
353	A	60.2	Low	65.1	Low	66 Å²	66	67.6 Å²	67.6	55%	0.545	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-34.9	178.9	0	0	0	0	0	113.3	H351 Q356	H351-A353 PolarHBondContact O-N 3.08Å; A353-Q356 PolarHBondContact O-N 3.19Å
354	S	68.3	Low	67.7	Low	40 Å²	40	65.7 Å²	65.7	28%	0.28	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-22.2	175.5	64.3	0	0	0	0	112.4	Q300 H351 Q356	Q300-S354 PolarHBondContact NE2-O 3.23Å; H351-S354 PolarHBondContact O-N 3.08Å; H351-S354 PolarHBondContact O-OG 2.89Å; S354-Q356 VanDerWaalsContact C-N 3.28Å
355	F	72.7	Confident	70.2	Confident	50 Å²	50	60.3 Å²	60.3	22%	0.219	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-6	170.7	-75.1	-76.8	0	0	0	114.1	P299 Q300 W348 H351 M352	P299-F355 HydrophobicContact CB-CD1 3.48Å; P299-F355 VanDerWaalsContact CB-CD1 3.48Å; P299-F355 HydrophobicContact CB-CE1 3.5Å; P299-F355 HydrophobicContact CB-CG 4.22Å; P299-F355 HydrophobicContact CB-CZ 4.24Å; P299-F355 HydrophobicContact CG-CD1 4.13Å; P299-F355 HydrophobicContact CG-CE1 3.93Å; P299-F355 HydrophobicContact CG-CZ 4.17Å; Q300-F355 VanDerWaalsContact NE2-CA 3.34Å; Q300-F355 PolarHBondContact NE2-O 3.32Å; W348-F355 AromaticContact CE3-CE2 3.79Å; W348-F355 HydrophobicContact CE3-CE2 3.79Å; W348-F355 HydrophobicContact CE3-CZ 4.23Å; W348-F355 AromaticContact CZ3-CE2 3.97Å; W348-F355 HydrophobicContact CZ3-CE2 3.97Å; W348-F355 HydrophobicContact CZ3-CZ 4.05Å; H351-F355 HydrophobicContact CB-CD2 4.01Å; H351-F355 HydrophobicContact CB-CE2 3.81Å; H351-F355 VanDerWaalsContact O-CD2 3.24Å; H351-F355 WeakPolarHBondContact O-CD2 3.22Å; H351-F355 PolarHBondContact O-N 3.37Å; M352-F355 PolarHBondContact O-N 3.37Å
356	Q	80.3	Confident	72.7	Confident	48 Å²	48	53.9 Å²	53.9	22%	0.224	28%	0.282	C	S	.	.	S	Bend	trans	-95.3	137.4	173.1	-75.2	171.5	-2.5	0	0	110.9	R297 M352 A353 S354 Y668	R297-Q356 WeakPolarHBondContact CD-O 3.31Å; R297-Q356 PolarHBondContact NH1-O 3.34Å; M352-Q356 WeakPolarHBondContact O-CG 3.38Å; M352-Q356 PolarHBondContact O-N 3.18Å; M352-Q356 VanDerWaalsContact O-N 3.17Å; A353-Q356 PolarHBondContact O-N 3.19Å; S354-Q356 VanDerWaalsContact C-N 3.28Å; Q356-Y668 HydrophobicContact CB-CE1 4.2Å
357	P	87.4	Confident	75.1	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.006	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-51.9	155.8	164.7	-25.6	34.2	0	0	0	111.8	R297 Q361 M363 Y388 Y668	R297-P357 PolarHBondContact NH1-O 3.02Å; P357-Q361 HydrophobicContact CB-CB 4.39Å; P357-M363 HydrophobicContact CB-CE 4.3Å; P357-M363 HydrophobicContact CB-SD 3.87Å; P357-M363 HydrophobicContact CG-CE 3.79Å; P357-M363 HydrophobicContact CG-SD 4.04Å; P357-Y388 HydrophobicContact CG-CD1 4.13Å; P357-Y388 HydrophobicContact CG-CE1 3.8Å; P357-Y668 HydrophobicContact CB-CD1 3.89Å; P357-Y668 HydrophobicContact CB-CD2 4.16Å; P357-Y668 HydrophobicContact CB-CE1 4.27Å; P357-Y668 HydrophobicContact CB-CG 3.83Å; P357-Y668 HydrophobicContact CG-CD1 4.41Å; P357-Y668 HydrophobicContact CG-CD2 4.12Å; P357-Y668 HydrophobicContact CG-CE1 4.39Å; P357-Y668 HydrophobicContact CG-CE2 4.08Å; P357-Y668 HydrophobicContact CG-CG 4.28Å; P357-Y668 WeakPolarHBondContact O-CD1 3.42Å
358	R	89.7	Confident	77.5	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.008	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-63.7	144.3	170.1	-70.6	-170.3	-169.6	-94.3	-6.3	109.5	L257 D259 A260 E267 L295 G360 Q361 Y668	L257-R358 PolarHBondContact O-NH1 3.04Å; L257-R358 PolarHBondContact O-NH2 3.42Å; D259-R358 PolarHBondContact O-NH1 3.34Å; A260-R358 CarbonylContact O-C 3.45Å; A260-R358 WeakPolarHBondContact O-CB 3.32Å; E267-R358 WeakPolarHBondContact OE1-CD 3.29Å; E267-R358 WeakPolarHBondContact OE1-CG 3.33Å; E267-R358 IonicContact OE1-CZ 2.66Å; E267-R358 IonicContact OE1-NE 2.81Å; E267-R358 PolarHBondContact OE1-NE 2.74Å; E267-R358 IonicContact OE1-NH2 2.72Å; E267-R358 IonicContact OE2-NE 3.64Å; E267-R358 IonicContact OE2-NH2 2.64Å; L295-R358 PolarHBondContact O-NH2 3.22Å; L295-R358 VanDerWaalsContact O-NH2 3.14Å; R358-G360 PolarHBondContact O-N 2.94Å; R358-Q361 HydrophobicContact CB-CB 4.18Å; R358-Q361 WeakPolarHBondContact O-CB 3.48Å; R358-Q361 PolarHBondContact O-N 2.83Å; R358-Y668 VanDerWaalsContact O-CB 3.27Å; R358-Y668 WeakPolarHBondContact O-CB 3.36Å
359	F	89.8	Confident	79.6	Confident	56 Å²	56	33.8 Å²	33.8	25%	0.246	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.6	179.5	-75.1	-50.2	0	0	0	113.1	A260 E261 Y668 R669 Y672	A260-F359 HydrophobicContact CB-CD2 3.89Å; A260-F359 WeakPolarHBondContact O-CA 3.37Å; A260-F359 WeakPolarHBondContact O-CB 3.44Å; A260-F359 PolarHBondContact O-N 3.27Å; E261-F359 VanDerWaalsContact OE1-CB 3.23Å; E261-F359 WeakPolarHBondContact OE1-CB 3.2Å; E261-F359 WeakPolarHBondContact OE1-CD2 3.17Å; F359-Y668 AromaticContact CD1-CD1 3.96Å; F359-Y668 HydrophobicContact CD1-CD1 3.96Å; F359-Y668 HydrophobicContact CD1-CE1 4.44Å; F359-Y668 HydrophobicContact CE1-CD1 4.36Å; F359-Y668 HydrophobicContact CE1-CE1 4.39Å; F359-Y668 PolarHBondContact O-N 2.81Å; F359-R669 HydrophobicContact CB-CB 4Å; F359-R669 HydrophobicContact CD1-CB 4.29Å; F359-R669 HydrophobicContact CG-CB 4.48Å; F359-R669 WeakPolarHBondContact O-CB 3.39Å; F359-R669 PolarHBondContact O-N 3.42Å; F359-R669 PolarHBondContact O-NE 3.31Å; F359-Y672 AromaticContact CE1-CD1 3.85Å; F359-Y672 HydrophobicContact CE1-CD1 3.85Å; F359-Y672 AromaticContact CE1-CD2 3.89Å; F359-Y672 HydrophobicContact CE1-CD2 3.89Å; F359-Y672 HydrophobicContact CE1-CE1 4.28Å; F359-Y672 HydrophobicContact CE1-CE2 4.32Å; F359-Y672 AromaticContact CE1-CG 3.63Å; F359-Y672 HydrophobicContact CE1-CG 3.63Å; F359-Y672 HydrophobicContact CZ-CD1 4.35Å; F359-Y672 HydrophobicContact CZ-CE1 4.36Å; F359-Y672 HydrophobicContact CZ-CG 4.47Å
360	G	87.3	Confident	81.7	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-8.9	170.5	0	0	0	0	0	114.9	A260 E261 I262 T263 R358 N362	A260-G360 PolarHBondContact O-N 3.02Å; E261-G360 WeakPolarHBondContact O-CA 3.49Å; I262-G360 CarbonylContact O-C 3.52Å; I262-G360 WeakPolarHBondContact O-CA 3.49Å; T263-G360 VanDerWaalsContact CA-O 3.32Å; T263-G360 WeakPolarHBondContact CA-O 3.48Å; R358-G360 PolarHBondContact O-N 2.94Å; G360-N362 PolarHBondContact O-N 3.01Å
361	Q	90.8	Very high	83.7	Confident	16 Å²	16	25.7 Å²	25.7	8%	0.075	14%	0.138	C	C	.	.			trans	-65.7	129.5	-177.3	-171.8	174.3	-8	0	0	111.1	V264 D265 P357 R358 M363 P667 Y668	V264-Q361 VanDerWaalsContact O-CA 3.31Å; V264-Q361 WeakPolarHBondContact O-CA 3.43Å; V264-Q361 WeakPolarHBondContact O-CG 3.43Å; D265-Q361 PolarHBondContact O-NE2 3.26Å; P357-Q361 HydrophobicContact CB-CB 4.39Å; R358-Q361 HydrophobicContact CB-CB 4.18Å; R358-Q361 WeakPolarHBondContact O-CB 3.48Å; R358-Q361 PolarHBondContact O-N 2.83Å; Q361-M363 HydrophobicContact CB-SD 4.31Å; Q361-M363 HydrophobicContact CG-SD 3.86Å; Q361-M363 PolarHBondContact O-N 2.89Å; Q361-P667 CarbonylContact O-C 3.51Å; Q361-P667 WeakPolarHBondContact O-CA 3.49Å; Q361-Y668 PolarHBondContact O-N 3.42Å
362	N	90	Very high	85.3	Confident	25 Å²	25	21.6 Å²	21.6	13%	0.134	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	110.6	179.5	-76.8	-26.7	0	0	0	110.4	V264 G360 R665	V264-N362 PolarHBondContact O-N 3.13Å; G360-N362 PolarHBondContact O-N 3.01Å; N362-R665 HydrophobicContact CB-CB 4.28Å; N362-R665 PolarHBondContact O-NH2 3.15Å
363	M	91.6	Very high	86.7	Confident	12 Å²	12	18 Å²	18	6%	0.059	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	144.6	-174.4	-58.1	-57.3	-68.9	0	0	112.3	P357 Q361 F386 Y388 R665 I666 Y668 L671	P357-M363 HydrophobicContact CB-CE 4.3Å; P357-M363 HydrophobicContact CB-SD 3.87Å; P357-M363 HydrophobicContact CG-CE 3.79Å; P357-M363 HydrophobicContact CG-SD 4.04Å; Q361-M363 HydrophobicContact CB-SD 4.31Å; Q361-M363 HydrophobicContact CG-SD 3.86Å; Q361-M363 PolarHBondContact O-N 2.89Å; M363-F386 HydrophobicContact CB-CD2 4.45Å; M363-F386 HydrophobicContact CB-CE2 3.69Å; M363-F386 HydrophobicContact CB-CZ 4.41Å; M363-F386 HydrophobicContact CE-CE2 3.72Å; M363-F386 HydrophobicContact CE-CZ 3.88Å; M363-F386 HydrophobicContact CG-CE2 4.01Å; M363-F386 HydrophobicContact CG-CZ 4.25Å; M363-Y388 HydrophobicContact CE-CD1 3.93Å; M363-Y388 HydrophobicContact CE-CD2 3.97Å; M363-Y388 HydrophobicContact CE-CG 3.54Å; M363-R665 CarbonylContact O-C 3.45Å; M363-R665 VanDerWaalsContact O-CA 3.29Å; M363-R665 WeakPolarHBondContact O-CA 3.44Å; M363-I666 PolarHBondContact N-O 3.37Å; M363-I666 PolarHBondContact O-N 3.22Å; M363-Y668 HydrophobicContact CG-CD2 4.1Å; M363-Y668 HydrophobicContact CG-CG 4.42Å; M363-L671 HydrophobicContact CB-CD1 3.7Å; M363-L671 HydrophobicContact CG-CD1 4.23Å
364	D	93.5	Very high	87.8	Confident	45 Å²	45	21 Å²	21	24%	0.241	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	125.6	178.6	-58.8	-67.3	0	0	0	112.6	I387 F612 H663 R665	D364-I387 HydrophobicContact CB-CD1 3.95Å; D364-I387 PolarHBondContact O-N 3.47Å; D364-F612 HydrophobicContact CB-CE2 3.93Å; D364-F612 HydrophobicContact CB-CZ 3.98Å; D364-F612 VanDerWaalsContact CG-CE2 3.45Å; D364-F612 WeakPolarHBondContact OD1-CE2 3.16Å; D364-H663 IonicContact OD1-CD2 3.35Å; D364-H663 IonicContact OD1-CE1 2.99Å; D364-H663 IonicContact OD1-NE2 2.77Å; D364-H663 PolarHBondContact OD1-NE2 3Å; D364-R665 WeakPolarHBondContact OD1-CG 3.22Å; D364-R665 IonicContact OD1-NE 3.76Å
365	V	94.8	Very high	88.3	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	134.5	-180	-178.9	0	0	0	0	109.2	Y385 F386 L395 V664 I666 L671	V365-Y385 WeakPolarHBondContact CA-O 3.47Å; V365-F386 HydrophobicContact CG2-CD2 4.42Å; V365-L395 HydrophobicContact CG1-CD1 4.33Å; V365-V664 HydrophobicContact CB-CG1 4.22Å; V365-V664 PolarHBondContact N-O 3.38Å; V365-V664 PolarHBondContact O-N 3.3Å; V365-V664 VanDerWaalsContact O-O 3.09Å; V365-I666 HydrophobicContact CB-CD1 4.23Å; V365-I666 HydrophobicContact CG1-CD1 4.32Å; V365-I666 HydrophobicContact CG2-CB 4.36Å; V365-I666 HydrophobicContact CG2-CD1 4.24Å; V365-I666 HydrophobicContact CG2-CG1 4.47Å; V365-L671 HydrophobicContact CG2-CD1 3.61Å; V365-L671 HydrophobicContact CG2-CD2 3.93Å; V365-L671 HydrophobicContact CG2-CG 4.44Å
366	I	96.4	Very high	88.6	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	103.8	164.3	-53.9	-55.2	0	0	0	107.9	G384 Y385 I387 C610 F612 F617 I619 A661 C662 H663	I366-G384 CarbonylContact O-C 3.6Å; I366-G384 WeakPolarHBondContact O-CA 3.46Å; I366-Y385 PolarHBondContact N-O 3.49Å; I366-Y385 PolarHBondContact O-N 3.09Å; I366-I387 HydrophobicContact CD1-CD1 4.24Å; I366-I387 HydrophobicContact CG1-CD1 4.21Å; I366-I387 HydrophobicContact CG1-CG1 4.48Å; I366-C610 WeakPolarHBondContact CG2-SG 3.12Å; I366-F612 HydrophobicContact CD1-CB 4.01Å; I366-F617 HydrophobicContact CD1-CD2 4.23Å; I366-F617 HydrophobicContact CD1-CE2 4.21Å; I366-F617 HydrophobicContact CD1-CZ 4.41Å; I366-F617 HydrophobicContact CG1-CD1 3.99Å; I366-F617 HydrophobicContact CG1-CD2 4.33Å; I366-F617 HydrophobicContact CG1-CE1 3.95Å; I366-F617 HydrophobicContact CG1-CE2 4.34Å; I366-F617 HydrophobicContact CG1-CG 4.18Å; I366-F617 HydrophobicContact CG1-CZ 4.13Å; I366-I619 HydrophobicContact CG2-CD1 3.65Å; I366-A661 HydrophobicContact CG2-CB 4.33Å; I366-C662 CarbonylContact C-O 3.46Å; I366-C662 WeakPolarHBondContact CA-O 3.12Å; I366-H663 HydrophobicContact CD1-CB 4.2Å
367	M	95.3	Very high	88.7	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133.9	177.4	174.4	-179.4	-85.4	0	0	109.5	V369 L395 Y431 W438 A661 C662 V664	M367-V369 HydrophobicContact CG-CG2 3.66Å; M367-V369 HydrophobicContact SD-CG2 3.77Å; M367-L395 HydrophobicContact CB-CD1 4.15Å; M367-L395 HydrophobicContact CE-CB 4.36Å; M367-L395 HydrophobicContact CE-CD1 3.46Å; M367-L395 VanDerWaalsContact CE-CD1 3.46Å; M367-L395 HydrophobicContact CE-CG 4.48Å; M367-L395 HydrophobicContact CG-CD1 3.96Å; M367-Y431 HydrophobicContact CE-CD1 3.62Å; M367-Y431 HydrophobicContact CE-CD2 4.13Å; M367-Y431 HydrophobicContact CE-CE1 3.46Å; M367-Y431 VanDerWaalsContact CE-CE1 3.46Å; M367-Y431 HydrophobicContact CE-CE2 4Å; M367-Y431 HydrophobicContact CE-CG 3.95Å; M367-Y431 HydrophobicContact SD-CD1 4.32Å; M367-W438 HydrophobicContact CE-CZ2 4.44Å; M367-W438 HydrophobicContact SD-CH2 4.39Å; M367-W438 HydrophobicContact SD-CZ2 3.94Å; M367-A661 CarbonylContact O-C 3.48Å; M367-A661 WeakPolarHBondContact O-CA 3.4Å; M367-C662 PolarHBondContact N-O 3.35Å; M367-C662 PolarHBondContact O-N 3.14Å; M367-V664 HydrophobicContact CB-CG1 3.74Å; M367-V664 HydrophobicContact CE-CG1 4.48Å
368	V	93.9	Very high	88.6	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.7	174.1	-176	0	0	0	0	108	C382 V383 W392 I619 A659 T660 A661	V368-C382 WeakPolarHBondContact O-CA 3.42Å; V368-V383 HydrophobicContact CB-CG2 3.87Å; V368-V383 HydrophobicContact CG1-CG2 4.47Å; V368-V383 HydrophobicContact CG2-CG2 4.44Å; V368-V383 PolarHBondContact N-O 3.22Å; V368-V383 PolarHBondContact O-N 2.84Å; V368-W392 HydrophobicContact CG2-CH2 3.92Å; V368-W392 HydrophobicContact CG2-CZ3 3.79Å; V368-I619 HydrophobicContact CG2-CD1 3.75Å; V368-I619 HydrophobicContact CG2-CG2 3.96Å; V368-A659 HydrophobicContact CG1-CB 3.81Å; V368-T660 CarbonylContact C-O 3.47Å; V368-T660 VanDerWaalsContact CA-O 3.31Å; V368-T660 WeakPolarHBondContact CA-O 3.17Å; V368-A661 HydrophobicContact CG2-CB 4.26Å
369	V	91.5	Very high	88.4	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.6	-172.3	-174.6	0	0	0	0	110.4	M367 I398 H405 I407 V416 W438 A659 T660	M367-V369 HydrophobicContact CG-CG2 3.66Å; M367-V369 HydrophobicContact SD-CG2 3.77Å; V369-I398 HydrophobicContact CG1-CD1 4Å; V369-I398 HydrophobicContact CG1-CG1 4.44Å; V369-I398 HydrophobicContact CG1-CG2 3.86Å; V369-H405 PolarHBondContact O-CE1 3.2Å; V369-H405 PolarHBondContact O-NE2 2.79Å; V369-I407 HydrophobicContact CG2-CD1 4.29Å; V369-V416 HydrophobicContact CB-CG2 4.46Å; V369-V416 HydrophobicContact CG1-CG2 4.14Å; V369-V416 HydrophobicContact CG2-CG2 4.46Å; V369-W438 HydrophobicContact CG1-CH2 4.38Å; V369-W438 HydrophobicContact CG1-CZ2 4.36Å; V369-W438 HydrophobicContact CG2-CH2 4.17Å; V369-W438 HydrophobicContact CG2-CZ2 4.05Å; V369-A659 WeakPolarHBondContact O-CA 3.41Å; V369-A659 WeakPolarHBondContact O-CB 3.17Å; V369-T660 PolarHBondContact N-O 3.34Å; V369-T660 PolarHBondContact O-N 3Å; V369-T660 VanDerWaalsContact O-N 3.11Å
370	G	88.4	Confident	88.2	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.161	C	C	.	.			trans	56.8	-144.1	173.2	0	0	0	0	0	114.4	L379 R656 A659	G370-L379 WeakPolarHBondContact CA-O 3.46Å; G370-R656 WeakPolarHBondContact O-CD 3.32Å; G370-R656 PolarHBondContact O-NH1 2.91Å; G370-A659 WeakPolarHBondContact O-CB 3.31Å
371	G	87.3	Confident	88.1	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.172	C	C	.	.			trans	102.1	-171.5	-175.5	0	0	0	0	0	112.8	L379 L402 C657	G371-L379 WeakPolarHBondContact O-CB 3.41Å; G371-L379 PolarHBondContact O-N 2.81Å; G371-L402 PolarHBondContact N-O 3.15Å; G371-C657 CarbonylContact C-O 3.54Å; G371-C657 WeakPolarHBondContact CA-O 3.36Å
372	V	85.3	Confident	88.1	Confident	4 Å²	4	28.3 Å²	28.3	2%	0.024	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.6	179.1	-176.4	0	0	0	0	109.7	Y378 D403 Y632 R656 C657 R658	V372-Y378 HydrophobicContact CG2-CD1 3.77Å; V372-Y378 HydrophobicContact CG2-CE1 3.85Å; V372-D403 HydrophobicContact CG2-CB 3.71Å; V372-D403 VanDerWaalsContact CG2-CG 3.45Å; V372-D403 WeakPolarHBondContact CG2-OD2 3.49Å; V372-Y632 WeakPolarHBondContact O-CE1 3.4Å; V372-R656 VanDerWaalsContact O-CA 3.23Å; V372-R656 WeakPolarHBondContact O-CA 3.44Å; V372-C657 PolarHBondContact N-O 3.09Å; V372-C657 PolarHBondContact O-N 3.03Å; V372-R658 VanDerWaalsContact CG2-NH2 3.32Å
373	S	86.4	Confident	88.2	Confident	13 Å²	13	27.2 Å²	27.2	9%	0.091	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	170	176.2	72.9	0	0	0	0	112.3	G375 G376 D377 Y632	S373-G375 PolarHBondContact O-N 3.04Å; S373-G375 PolarHBondContact OG-N 2.93Å; S373-G376 PolarHBondContact O-N 2.8Å; S373-D377 PolarHBondContact N-O 3.34Å; S373-D377 WeakPolarHBondContact OG-CB 3.35Å; S373-D377 PolarHBondContact OG-N 3.33Å; S373-D377 VanDerWaalsContact OG-N 3.14Å; S373-D377 PolarHBondContact OG-O 2.92Å; S373-Y632 WeakPolarHBondContact O-CE1 3.38Å; S373-Y632 VanDerWaalsContact O-CZ 3.3Å; S373-Y632 PolarHBondContact O-OH 2.86Å
374	E	83.1	Confident	88.3	Confident	127 Å²	127	26.7 Å²	26.7	59%	0.593	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-30.6	173.6	-175	173.1	-161.2	0	0	113	G376 Y632 P655	E374-G376 PolarHBondContact O-N 3.23Å; E374-Y632 HydrophobicContact CB-CD2 4.1Å; E374-Y632 HydrophobicContact CB-CG 4.07Å; E374-Y632 HydrophobicContact CG-CD2 4.08Å; E374-Y632 HydrophobicContact CG-CG 4.42Å; E374-P655 HydrophobicContact CB-CG 4.15Å
375	G	79.1	Confident	88.3	Confident	69 Å²	69	24.6 Å²	24.6	71%	0.711	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-3.4	175.7	0	0	0	0	0	114.4	S373 D377	S373-G375 PolarHBondContact O-N 3.04Å; S373-G375 PolarHBondContact OG-N 2.93Å; G375-D377 VanDerWaalsContact C-N 3.29Å
376	G	79	Confident	88.1	Confident	36 Å²	36	24.6 Å²	24.6	37%	0.371	15%	0.149	S	C	.	.	S	Bend	trans	85.2	-2.5	-174.1	0	0	0	0	0	114.1	S373 E374	S373-G376 PolarHBondContact O-N 2.8Å; E374-G376 PolarHBondContact O-N 3.23Å
377	D	82.8	Confident	87.7	Confident	113 Å²	113	26 Å²	26	60%	0.604	16%	0.156	S	C	*	.	P	Polyproline II helix	trans	-71.7	136.3	178.2	-61	-47.6	0	0	0	111.5	S373 G375	S373-D377 PolarHBondContact N-O 3.34Å; S373-D377 WeakPolarHBondContact OG-CB 3.35Å; S373-D377 PolarHBondContact OG-N 3.33Å; S373-D377 VanDerWaalsContact OG-N 3.14Å; S373-D377 PolarHBondContact OG-O 2.92Å; G375-D377 VanDerWaalsContact C-N 3.29Å
378	Y	84.1	Confident	87.2	Confident	64 Å²	64	29.4 Å²	29.4	25%	0.251	17%	0.17	S	C	.	.	B	Isolated β-bridge	trans	-73.1	131.7	171.7	-60.2	-74.5	0	0	0	110.6	V372 H401 D403 M420 E421	V372-Y378 HydrophobicContact CG2-CD1 3.77Å; V372-Y378 HydrophobicContact CG2-CE1 3.85Å; Y378-H401 PolarHBondContact O-ND1 3.33Å; Y378-D403 HydrophobicContact CD1-CB 3.57Å; Y378-D403 HydrophobicContact CE1-CB 3.72Å; Y378-M420 HydrophobicContact CE1-CB 4.41Å; Y378-E421 HydrophobicContact CD2-CB 4.36Å; Y378-E421 HydrophobicContact CE2-CB 3.72Å; Y378-E421 HydrophobicContact CE2-CG 3.95Å; Y378-E421 WeakPolarHBondContact OH-CG 3.44Å
379	L	85.1	Confident	86.7	Confident	15 Å²	15	31.8 Å²	31.8	8%	0.079	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-97.4	137.5	-173.3	-62.3	176.6	0	0	0	111.6	G370 G371 L402 R656	G370-L379 WeakPolarHBondContact CA-O 3.46Å; G371-L379 WeakPolarHBondContact O-CB 3.41Å; G371-L379 PolarHBondContact O-N 2.81Å; L379-L402 PolarHBondContact O-N 3.46Å; L379-R656 HydrophobicContact CD1-CB 3.87Å
380	S	86	Confident	86.3	Confident	21 Å²	21	35.4 Å²	35.4	15%	0.147	20%	0.2	C	C	.	.			trans	-100.4	-7.5	163.8	57.6	0	0	0	0	112.6	H397 I398 N400	S380-H397 VanDerWaalsContact O-CA 3.31Å; S380-H397 WeakPolarHBondContact O-CA 3.27Å; S380-H397 WeakPolarHBondContact O-CB 3.38Å; S380-I398 WeakPolarHBondContact CB-O 3.49Å; S380-I398 WeakPolarHBondContact O-CG1 3.44Å; S380-I398 PolarHBondContact O-N 2.87Å; S380-N400 WeakPolarHBondContact CB-O 3.38Å
381	E	86.3	Confident	86.2	Confident	49 Å²	49	36.2 Å²	36.2	23%	0.229	20%	0.203	C	C	.	.			trans	-70.3	133.9	-176.7	-56	-173	154.4	0	0	111.8	Q654 R656	E381-Q654 PolarHBondContact OE1-NE2 2.95Å; E381-Q654 VanDerWaalsContact OE1-NE2 3.07Å; E381-Q654 VanDerWaalsContact OE2-CD 3.25Å; E381-Q654 PolarHBondContact OE2-NE2 2.84Å; E381-Q654 PolarHBondContact OE2-OE1 2.9Å; E381-R656 PolarHBondContact O-NH1 2.78Å; E381-R656 IonicContact OE2-NH2 2.78Å; E381-R656 PolarHBondContact OE2-NH2 3.14Å
382	C	90.9	Very high	86.2	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.007	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.4	171.4	-61.1	0	0	0	0	109.6	V368 L395 P396	V368-C382 WeakPolarHBondContact O-CA 3.42Å; C382-L395 HydrophobicContact CB-CB 3.89Å; C382-L395 PolarHBondContact O-N 3.39Å; C382-P396 VanDerWaalsContact CB-O 3.29Å; C382-P396 WeakPolarHBondContact CB-O 3.46Å; C382-P396 PolarHBondContact SG-O 3.06Å; C382-P396 VanDerWaalsContact SG-O 3.34Å
383	V	91.9	Very high	86.4	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	140.7	175	-64.8	0	0	0	0	109.8	V368 W392 V393 P653	V368-V383 HydrophobicContact CB-CG2 3.87Å; V368-V383 HydrophobicContact CG1-CG2 4.47Å; V368-V383 HydrophobicContact CG2-CG2 4.44Å; V368-V383 PolarHBondContact N-O 3.22Å; V368-V383 PolarHBondContact O-N 2.84Å; V383-W392 HydrophobicContact CB-CE3 4.03Å; V383-W392 HydrophobicContact CB-CZ3 4.37Å; V383-W392 HydrophobicContact CG2-CE3 3.89Å; V383-W392 HydrophobicContact CG2-CZ3 3.8Å; V383-V393 WeakPolarHBondContact CA-O 2.92Å; V383-P653 HydrophobicContact CG1-CG 4.11Å
384	G	92.9	Very high	86.5	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	130.2	179	0	0	0	0	0	111	I366 F386 W392 V393	I366-G384 CarbonylContact O-C 3.6Å; I366-G384 WeakPolarHBondContact O-CA 3.46Å; G384-F386 PolarHBondContact O-N 3.4Å; G384-W392 CarbonylContact O-C 3.51Å; G384-W392 VanDerWaalsContact O-CA 3.3Å; G384-W392 WeakPolarHBondContact O-CA 3.49Å; G384-V393 PolarHBondContact N-O 3.13Å; G384-V393 WeakPolarHBondContact O-CG2 3.46Å; G384-V393 PolarHBondContact O-N 2.99Å
385	Y	92.9	Very high	86.9	Confident	1 Å²	1	32.9 Å²	32.9	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	106.6	164.8	-171.4	-107.8	0	0	0	109.4	V365 I366 I387 D390 W392 F617 L649 P650	V365-Y385 WeakPolarHBondContact CA-O 3.47Å; I366-Y385 PolarHBondContact N-O 3.49Å; I366-Y385 PolarHBondContact O-N 3.09Å; Y385-I387 HydrophobicContact CD1-CG1 4.18Å; Y385-I387 PolarHBondContact O-N 3.16Å; Y385-D390 VanDerWaalsContact OH-CG 3.29Å; Y385-D390 PolarHBondContact OH-OD1 2.88Å; Y385-W392 AromaticContact CD2-CD2 3.92Å; Y385-W392 HydrophobicContact CD2-CD2 3.92Å; Y385-W392 AromaticContact CD2-CE2 3.6Å; Y385-W392 HydrophobicContact CD2-CE3 4.49Å; Y385-W392 HydrophobicContact CD2-CG 4.26Å; Y385-W392 HydrophobicContact CD2-CH2 4.47Å; Y385-W392 AromaticContact CD2-CZ2 3.89Å; Y385-W392 HydrophobicContact CD2-CZ2 3.89Å; Y385-W392 AromaticContact CD2-NE1 3.74Å; Y385-W392 HydrophobicContact CG-CZ2 4.35Å; Y385-F617 HydrophobicContact CD1-CE1 4.32Å; Y385-F617 HydrophobicContact CE1-CE1 4.49Å; Y385-L649 HydrophobicContact CD1-CD1 4.21Å; Y385-L649 HydrophobicContact CE1-CD1 3.84Å; Y385-L649 HydrophobicContact CE1-CD2 4.37Å; Y385-L649 HydrophobicContact CE2-CB 4.18Å; Y385-L649 HydrophobicContact CE2-CD1 4.27Å; Y385-L649 WeakPolarHBondContact OH-CD2 3.3Å; Y385-P650 HydrophobicContact CE2-CG 4.3Å; Y385-P650 VanDerWaalsContact OH-CD 3.3Å; Y385-P650 WeakPolarHBondContact OH-CD 3.27Å
386	F	91.1	Very high	87.5	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	105	178.5	-178.9	-156.5	0	0	0	110	M363 V365 G384 Y388 E389 D390 R391 V393 Y668 L671	M363-F386 HydrophobicContact CB-CD2 4.45Å; M363-F386 HydrophobicContact CB-CE2 3.69Å; M363-F386 HydrophobicContact CB-CZ 4.41Å; M363-F386 HydrophobicContact CE-CE2 3.72Å; M363-F386 HydrophobicContact CE-CZ 3.88Å; M363-F386 HydrophobicContact CG-CE2 4.01Å; M363-F386 HydrophobicContact CG-CZ 4.25Å; V365-F386 HydrophobicContact CG2-CD2 4.42Å; G384-F386 PolarHBondContact O-N 3.4Å; F386-Y388 VanDerWaalsContact C-N 3.34Å; F386-Y388 VanDerWaalsContact CE2-CB 3.49Å; F386-Y388 HydrophobicContact CE2-CD1 4.5Å; F386-Y388 HydrophobicContact CE2-CG 4.43Å; F386-Y388 AromaticContact CZ-CD1 3.92Å; F386-Y388 HydrophobicContact CZ-CD1 3.92Å; F386-Y388 HydrophobicContact CZ-CG 4.29Å; F386-Y388 PolarHBondContact O-N 2.97Å; F386-E389 HydrophobicContact CD1-CB 3.7Å; F386-E389 HydrophobicContact CD1-CG 3.89Å; F386-E389 HydrophobicContact CE1-CB 3.8Å; F386-E389 HydrophobicContact CE1-CG 3.42Å; F386-E389 VanDerWaalsContact CE1-CG 3.42Å; F386-E389 HydrophobicContact CZ-CG 4.14Å; F386-E389 PolarHBondContact O-N 3.27Å; F386-D390 PolarHBondContact O-N 2.98Å; F386-D390 VanDerWaalsContact O-N 3.11Å; F386-R391 PolarHBondContact N-O 2.98Å; F386-R391 PolarHBondContact O-N 3.26Å; F386-V393 HydrophobicContact CB-CG1 4.47Å; F386-Y668 HydrophobicContact CE1-CD2 4.19Å; F386-Y668 AromaticContact CE1-CE2 3.78Å; F386-Y668 HydrophobicContact CE1-CE2 3.78Å; F386-Y668 AromaticContact CZ-CD2 3.84Å; F386-Y668 HydrophobicContact CZ-CD2 3.84Å; F386-Y668 AromaticContact CZ-CE2 3.76Å; F386-Y668 HydrophobicContact CZ-CE2 3.76Å; F386-L671 HydrophobicContact CD1-CB 4.42Å; F386-L671 HydrophobicContact CD2-CD1 3.95Å; F386-L671 HydrophobicContact CE1-CB 4.38Å; F386-L671 HydrophobicContact CE2-CD1 3.96Å; F386-L671 HydrophobicContact CG-CD1 4.35Å; F386-L671 HydrophobicContact CZ-CD1 4.33Å
387	I	89.3	Confident	87.9	Confident	29 Å²	29	33.9 Å²	33.9	15%	0.149	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-39.5	-169.4	-60.3	179.8	0	0	0	111.7	D364 I366 Y385 D390 F612 F617	D364-I387 HydrophobicContact CB-CD1 3.95Å; D364-I387 PolarHBondContact O-N 3.47Å; I366-I387 HydrophobicContact CD1-CD1 4.24Å; I366-I387 HydrophobicContact CG1-CD1 4.21Å; I366-I387 HydrophobicContact CG1-CG1 4.48Å; Y385-I387 HydrophobicContact CD1-CG1 4.18Å; Y385-I387 PolarHBondContact O-N 3.16Å; I387-D390 PolarHBondContact O-N 3.34Å; I387-F612 HydrophobicContact CD1-CB 4.47Å; I387-F612 HydrophobicContact CD1-CD1 3.73Å; I387-F612 HydrophobicContact CD1-CE1 4.06Å; I387-F612 HydrophobicContact CD1-CG 4.02Å; I387-F617 HydrophobicContact CD1-CZ 4.38Å
388	Y	84.9	Confident	88.1	Confident	73 Å²	73	28.8 Å²	28.8	29%	0.286	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-36.3	-174.7	177.2	-97.1	0	0	0	113.6	Q300 R336 P357 M363 F386	Q300-Y388 PolarHBondContact NE2-OH 3.42Å; Q300-Y388 VanDerWaalsContact OE1-CZ 3.27Å; Q300-Y388 PolarHBondContact OE1-OH 3.02Å; R336-Y388 PolarHBondContact NH1-OH 2.9Å; P357-Y388 HydrophobicContact CG-CD1 4.13Å; P357-Y388 HydrophobicContact CG-CE1 3.8Å; M363-Y388 HydrophobicContact CE-CD1 3.93Å; M363-Y388 HydrophobicContact CE-CD2 3.97Å; M363-Y388 HydrophobicContact CE-CG 3.54Å; F386-Y388 VanDerWaalsContact C-N 3.34Å; F386-Y388 VanDerWaalsContact CE2-CB 3.49Å; F386-Y388 HydrophobicContact CE2-CD1 4.5Å; F386-Y388 HydrophobicContact CE2-CG 4.43Å; F386-Y388 AromaticContact CZ-CD1 3.92Å; F386-Y388 HydrophobicContact CZ-CD1 3.92Å; F386-Y388 HydrophobicContact CZ-CG 4.29Å; F386-Y388 PolarHBondContact O-N 2.97Å
389	E	82	Confident	88	Confident	51 Å²	51	31.7 Å²	31.7	24%	0.238	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	4.2	178.7	-69.7	-178	-165.7	0	0	113.5	F386 R391 Y668	F386-E389 HydrophobicContact CD1-CB 3.7Å; F386-E389 HydrophobicContact CD1-CG 3.89Å; F386-E389 HydrophobicContact CE1-CB 3.8Å; F386-E389 HydrophobicContact CE1-CG 3.42Å; F386-E389 VanDerWaalsContact CE1-CG 3.42Å; F386-E389 HydrophobicContact CZ-CG 4.14Å; F386-E389 PolarHBondContact O-N 3.27Å; E389-R391 VanDerWaalsContact C-N 3.35Å; E389-R391 HydrophobicContact CB-CG 3.97Å; E389-R391 PolarHBondContact O-N 3Å; E389-R391 IonicContact OE2-CZ 2.7Å; E389-R391 IonicContact OE2-NE 3.56Å; E389-R391 PolarHBondContact OE2-NE 3.11Å; E389-R391 IonicContact OE2-NH2 3.89Å; E389-R391 PolarHBondContact OE2-NH2 3.13Å; E389-Y668 PolarHBondContact OE1-OH 3.45Å
390	D	83	Confident	87.5	Confident	75 Å²	75	33.6 Å²	33.6	40%	0.401	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	52.1	-179.2	-157.4	59	0	0	0	111.6	Y385 F386 I387 P650	Y385-D390 VanDerWaalsContact OH-CG 3.29Å; Y385-D390 PolarHBondContact OH-OD1 2.88Å; F386-D390 PolarHBondContact O-N 2.98Å; F386-D390 VanDerWaalsContact O-N 3.11Å; I387-D390 PolarHBondContact O-N 3.34Å; D390-P650 VanDerWaalsContact O-CG 3.32Å; D390-P650 WeakPolarHBondContact O-CG 3.49Å
391	R	86.6	Confident	87	Confident	17 Å²	17	37.8 Å²	37.8	6%	0.064	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	161.8	-177.4	70	173	175.5	90.8	10.5	114	F386 E389 L671 Q675	F386-R391 PolarHBondContact N-O 2.98Å; F386-R391 PolarHBondContact O-N 3.26Å; E389-R391 VanDerWaalsContact C-N 3.35Å; E389-R391 HydrophobicContact CB-CG 3.97Å; E389-R391 PolarHBondContact O-N 3Å; E389-R391 IonicContact OE2-CZ 2.7Å; E389-R391 IonicContact OE2-NE 3.56Å; E389-R391 PolarHBondContact OE2-NE 3.11Å; E389-R391 IonicContact OE2-NH2 3.89Å; E389-R391 PolarHBondContact OE2-NH2 3.13Å; R391-L671 PolarHBondContact NH2-O 3.11Å; R391-Q675 PolarHBondContact NH1-O 3.29Å
392	W	88.1	Confident	86.2	Confident	1 Å²	1	35.7 Å²	35.7	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	142.6	172	-66.4	93.8	0	0	0	112.4	V368 V383 G384 Y385 I619 A636 P650 P651 M652 P653 Y677	V368-W392 HydrophobicContact CG2-CH2 3.92Å; V368-W392 HydrophobicContact CG2-CZ3 3.79Å; V383-W392 HydrophobicContact CB-CE3 4.03Å; V383-W392 HydrophobicContact CB-CZ3 4.37Å; V383-W392 HydrophobicContact CG2-CE3 3.89Å; V383-W392 HydrophobicContact CG2-CZ3 3.8Å; G384-W392 CarbonylContact O-C 3.51Å; G384-W392 VanDerWaalsContact O-CA 3.3Å; G384-W392 WeakPolarHBondContact O-CA 3.49Å; Y385-W392 AromaticContact CD2-CD2 3.92Å; Y385-W392 HydrophobicContact CD2-CD2 3.92Å; Y385-W392 AromaticContact CD2-CE2 3.6Å; Y385-W392 HydrophobicContact CD2-CE3 4.49Å; Y385-W392 HydrophobicContact CD2-CG 4.26Å; Y385-W392 HydrophobicContact CD2-CH2 4.47Å; Y385-W392 AromaticContact CD2-CZ2 3.89Å; Y385-W392 HydrophobicContact CD2-CZ2 3.89Å; Y385-W392 AromaticContact CD2-NE1 3.74Å; Y385-W392 HydrophobicContact CG-CZ2 4.35Å; W392-I619 HydrophobicContact CH2-CD1 4.2Å; W392-I619 HydrophobicContact CH2-CG2 3.92Å; W392-I619 HydrophobicContact CZ2-CG2 4.42Å; W392-A636 HydrophobicContact CZ2-CB 3.87Å; W392-P650 PolarHBondContact NE1-O 2.65Å; W392-P651 PolarHBondContact NE1-O 2.81Å; W392-M652 HydrophobicContact CD2-CG 4.22Å; W392-M652 HydrophobicContact CE3-CG 4.4Å; W392-M652 HydrophobicContact CH2-CG 3.57Å; W392-M652 HydrophobicContact CH2-SD 4.15Å; W392-M652 HydrophobicContact CZ2-CB 4.48Å; W392-M652 HydrophobicContact CZ2-CG 3.35Å; W392-M652 HydrophobicContact CZ2-SD 4.44Å; W392-M652 HydrophobicContact CZ3-CG 4.1Å; W392-P653 HydrophobicContact CB-CG 4.17Å; W392-Y677 HydrophobicContact CB-CD2 3.83Å; W392-Y677 HydrophobicContact CB-CE2 4.36Å
393	V	89.1	Confident	85.3	Confident	5 Å²	5	35.7 Å²	35.7	3%	0.03	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	151.2	172.3	-72.4	0	0	0	0	110.2	V383 G384 F386 L395 L671	V383-V393 WeakPolarHBondContact CA-O 2.92Å; G384-V393 PolarHBondContact N-O 3.13Å; G384-V393 WeakPolarHBondContact O-CG2 3.46Å; G384-V393 PolarHBondContact O-N 2.99Å; F386-V393 HydrophobicContact CB-CG1 4.47Å; V393-L395 HydrophobicContact CG2-CD2 4.05Å; V393-L395 HydrophobicContact CG2-CG 4.38Å; V393-L671 HydrophobicContact CG2-CD2 3.94Å
394	N	89.1	Confident	84.1	Confident	62 Å²	62	36.3 Å²	36.3	33%	0.332	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	135.5	168.2	-64.1	-15.1	0	0	0	109.4	Q675 Y677	N394-Q675 PolarHBondContact ND2-OE1 3.11Å; N394-Y677 VanDerWaalsContact CG-OH 3.26Å; N394-Y677 PolarHBondContact ND2-OH 3.26Å; N394-Y677 VanDerWaalsContact ND2-OH 3.08Å; N394-Y677 PolarHBondContact OD1-OH 3.17Å
395	L	91.4	Very high	83.8	Confident	6 Å²	6	36.5 Å²	36.5	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	161.5	175.4	-62.4	179.9	0	0	0	109.1	V365 M367 C382 V393 H397 I666 L671	V365-L395 HydrophobicContact CG1-CD1 4.33Å; M367-L395 HydrophobicContact CB-CD1 4.15Å; M367-L395 HydrophobicContact CE-CB 4.36Å; M367-L395 HydrophobicContact CE-CD1 3.46Å; M367-L395 VanDerWaalsContact CE-CD1 3.46Å; M367-L395 HydrophobicContact CE-CG 4.48Å; M367-L395 HydrophobicContact CG-CD1 3.96Å; C382-L395 HydrophobicContact CB-CB 3.89Å; C382-L395 PolarHBondContact O-N 3.39Å; V393-L395 HydrophobicContact CG2-CD2 4.05Å; V393-L395 HydrophobicContact CG2-CG 4.38Å; L395-H397 PolarHBondContact O-CD2 3.01Å; L395-H397 PolarHBondContact O-N 3Å; L395-I666 HydrophobicContact CD1-CD1 4.1Å; L395-I666 HydrophobicContact CD2-CD1 3.91Å; L395-L671 HydrophobicContact CD2-CD2 4.29Å
396	P	90.1	Very high	83.6	Confident	33 Å²	33	36.7 Å²	36.7	21%	0.214	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-52.6	136.7	176.4	-24.1	31.4	0	0	0	111.5	C382 Y431 N436 W438	C382-P396 VanDerWaalsContact CB-O 3.29Å; C382-P396 WeakPolarHBondContact CB-O 3.46Å; C382-P396 PolarHBondContact SG-O 3.06Å; C382-P396 VanDerWaalsContact SG-O 3.34Å; P396-Y431 HydrophobicContact CG-CE2 4.22Å; P396-N436 WeakPolarHBondContact CD-OD1 3.44Å; P396-N436 HydrophobicContact CG-CB 4.45Å; P396-N436 VanDerWaalsContact CG-CG 3.5Å; P396-N436 WeakPolarHBondContact CG-O 3.26Å; P396-N436 WeakPolarHBondContact CG-OD1 3.34Å; P396-W438 PolarHBondContact O-NE1 3.45Å
397	H	88.5	Confident	83.7	Confident	93 Å²	93	36.9 Å²	36.9	43%	0.431	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-74.2	146	-179.1	-64.5	-156.9	0	0	0	109.4	S380 L395	S380-H397 VanDerWaalsContact O-CA 3.31Å; S380-H397 WeakPolarHBondContact O-CA 3.27Å; S380-H397 WeakPolarHBondContact O-CB 3.38Å; L395-H397 PolarHBondContact O-CD2 3.01Å; L395-H397 PolarHBondContact O-N 3Å
398	I	86.3	Confident	83.9	Confident	6 Å²	6	35.6 Å²	35.6	3%	0.031	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-67.3	154.6	165.8	45.6	167.2	0	0	0	109.5	V369 S380 N400 L402 W438	V369-I398 HydrophobicContact CG1-CD1 4Å; V369-I398 HydrophobicContact CG1-CG1 4.44Å; V369-I398 HydrophobicContact CG1-CG2 3.86Å; S380-I398 WeakPolarHBondContact CB-O 3.49Å; S380-I398 WeakPolarHBondContact O-CG1 3.44Å; S380-I398 PolarHBondContact O-N 2.87Å; I398-N400 VanDerWaalsContact C-N 3.27Å; I398-N400 WeakPolarHBondContact CD1-O 3.38Å; I398-N400 WeakPolarHBondContact CG1-O 3.46Å; I398-N400 PolarHBondContact O-N 3.2Å; I398-L402 HydrophobicContact CD1-CB 3.85Å; I398-L402 HydrophobicContact CD1-CD1 3.41Å; I398-L402 VanDerWaalsContact CD1-CD1 3.41Å; I398-L402 HydrophobicContact CD1-CG 3.48Å; I398-L402 VanDerWaalsContact CD1-CG 3.48Å; I398-W438 HydrophobicContact CG2-CD2 3.57Å; I398-W438 VanDerWaalsContact CG2-CE2 3.42Å; I398-W438 HydrophobicContact CG2-CE3 3.83Å; I398-W438 HydrophobicContact CG2-CG 4.17Å; I398-W438 HydrophobicContact CG2-CH2 3.85Å; I398-W438 HydrophobicContact CG2-CZ2 3.58Å; I398-W438 HydrophobicContact CG2-CZ3 3.96Å
399	H	83.3	Confident	84.3	Confident	126 Å²	126	34.2 Å²	34.2	58%	0.583	18%	0.177	S	C	*	.	S	Bend	trans	-73.9	-24.9	-177.9	-61.5	83.2	0	0	0	112.2	E429 W438	H399-E429 IonicContact CE1-OE2 3.92Å; H399-E429 IonicContact CG-OE2 2.8Å; H399-E429 PolarHBondContact N-OE1 2.95Å; H399-E429 PolarHBondContact N-OE2 2.78Å; H399-E429 IonicContact ND1-OE2 3.48Å; H399-E429 PolarHBondContact ND1-OE2 2.83Å; H399-W438 PolarHBondContact CE1-O 3.08Å
400	N	74.6	Confident	84.8	Confident	55 Å²	55	32.7 Å²	32.7	29%	0.294	17%	0.171	S	C	.	.	S	Bend	trans	-108.1	159.3	-180	-64.4	-70	0	0	0	112.1	S380 I398 L402 E429	S380-N400 WeakPolarHBondContact CB-O 3.38Å; I398-N400 VanDerWaalsContact C-N 3.27Å; I398-N400 WeakPolarHBondContact CD1-O 3.38Å; I398-N400 WeakPolarHBondContact CG1-O 3.46Å; I398-N400 PolarHBondContact O-N 3.2Å; N400-L402 HydrophobicContact CB-CD2 3.83Å; N400-L402 HydrophobicContact CB-CG 4.25Å; N400-E429 PolarHBondContact N-OE1 2.97Å; N400-E429 PolarHBondContact ND2-OE1 2.78Å
401	H	73.8	Confident	84.9	Confident	109 Å²	109	38.5 Å²	38.5	51%	0.505	20%	0.196	S	C	.	.			trans	-89.1	119	170.7	-63.3	-97.7	0	0	0	108.3	Y378 S419	Y378-H401 PolarHBondContact O-ND1 3.33Å; H401-S419 PolarHBondContact O-OG 3.34Å
402	L	70.6	Confident	85	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.021	21%	0.208	C	C	.	.			trans	-122.9	133	-170	-54.1	176.3	0	0	0	113.8	G371 L379 I398 N400 H405 V416 S419	G371-L402 PolarHBondContact N-O 3.15Å; L379-L402 PolarHBondContact O-N 3.46Å; I398-L402 HydrophobicContact CD1-CB 3.85Å; I398-L402 HydrophobicContact CD1-CD1 3.41Å; I398-L402 VanDerWaalsContact CD1-CD1 3.41Å; I398-L402 HydrophobicContact CD1-CG 3.48Å; I398-L402 VanDerWaalsContact CD1-CG 3.48Å; N400-L402 HydrophobicContact CB-CD2 3.83Å; N400-L402 HydrophobicContact CB-CG 4.25Å; L402-H405 HydrophobicContact CB-CB 4.28Å; L402-H405 WeakPolarHBondContact CB-ND1 3.32Å; L402-H405 HydrophobicContact CD1-CB 4.44Å; L402-V416 HydrophobicContact CD1-CG1 3.35Å; L402-S419 VanDerWaalsContact CA-OG 3.24Å; L402-S419 WeakPolarHBondContact CA-OG 3.42Å; L402-S419 WeakPolarHBondContact CD2-OG 3.18Å
403	D	71.6	Confident	85.3	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.215	C	C	.	.	S	Bend	trans	-132.2	138	169.2	166.8	11.9	0	0	0	109.1	V372 Y378 H405 S419 M420 R658	V372-D403 HydrophobicContact CG2-CB 3.71Å; V372-D403 VanDerWaalsContact CG2-CG 3.45Å; V372-D403 WeakPolarHBondContact CG2-OD2 3.49Å; Y378-D403 HydrophobicContact CD1-CB 3.57Å; Y378-D403 HydrophobicContact CE1-CB 3.72Å; D403-H405 PolarHBondContact O-N 2.53Å; D403-S419 PolarHBondContact N-OG 2.83Å; D403-S419 CarbonylContact O-C 3.55Å; D403-S419 WeakPolarHBondContact O-CA 3.31Å; D403-M420 HydrophobicContact CB-CB 4.1Å; D403-M420 PolarHBondContact O-N 3.31Å; D403-R658 VanDerWaalsContact CG-NE 3.28Å; D403-R658 WeakPolarHBondContact OD1-CB 3.27Å; D403-R658 WeakPolarHBondContact OD1-CD 3.39Å; D403-R658 IonicContact OD1-CZ 3.97Å; D403-R658 IonicContact OD1-NE 2.83Å; D403-R658 PolarHBondContact OD1-NE 2.84Å; D403-R658 IonicContact OD2-CZ 3.94Å; D403-R658 VanDerWaalsContact OD2-CZ 3.26Å; D403-R658 IonicContact OD2-NE 3.18Å; D403-R658 PolarHBondContact OD2-NE 2.92Å; D403-R658 IonicContact OD2-NH2 2.85Å; D403-R658 PolarHBondContact OD2-NH2 3.01Å
404	G	67.8	Low	85.7	Confident	15 Å²	15	41.2 Å²	41.2	16%	0.155	21%	0.214	C	C	.	.	S	Bend	trans	66.6	24	174.9	0	0	0	0	0	113.5	S450 R658	G404-S450 PolarHBondContact O-N 2.74Å; G404-R658 PolarHBondContact N-O 2.89Å
405	H	85.4	Confident	85.9	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.019	20%	0.198	C	C	.	.			trans	-73.1	158.2	175	55.4	-84.4	0	0	0	110.8	V369 L402 D403 V416 G418 T660	V369-H405 PolarHBondContact O-CE1 3.2Å; V369-H405 PolarHBondContact O-NE2 2.79Å; L402-H405 HydrophobicContact CB-CB 4.28Å; L402-H405 WeakPolarHBondContact CB-ND1 3.32Å; L402-H405 HydrophobicContact CD1-CB 4.44Å; D403-H405 PolarHBondContact O-N 2.53Å; H405-V416 HydrophobicContact CB-CG1 3.99Å; H405-V416 WeakPolarHBondContact CD2-CG1 3.29Å; H405-G418 WeakPolarHBondContact CB-O 3.45Å; H405-T660 VanDerWaalsContact CD2-CG2 3.43Å; H405-T660 WeakPolarHBondContact CD2-CG2 3.45Å; H405-T660 PolarHBondContact CD2-OG1 2.79Å; H405-T660 WeakPolarHBondContact NE2-CG2 3.36Å; H405-T660 PolarHBondContact NE2-OG1 3.37Å; H405-T660 WeakPolarHBondContact O-CG2 3.35Å
406	A	89.3	Confident	86	Confident	6 Å²	6	38 Å²	38	5%	0.05	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	147.6	170.9	0	0	0	0	0	109.8	V416 A417 F451 L453	A406-V416 WeakPolarHBondContact O-CA 3.46Å; A406-A417 PolarHBondContact N-O 3.43Å; A406-A417 PolarHBondContact O-N 3.31Å; A406-F451 HydrophobicContact CB-CD1 4.24Å; A406-F451 HydrophobicContact CB-CD2 4.09Å; A406-F451 HydrophobicContact CB-CE1 3.8Å; A406-F451 HydrophobicContact CB-CE2 3.65Å; A406-F451 HydrophobicContact CB-CG 4.37Å; A406-F451 HydrophobicContact CB-CZ 3.49Å; A406-F451 VanDerWaalsContact CB-CZ 3.49Å; A406-L453 HydrophobicContact CB-CB 3.54Å; A406-L453 HydrophobicContact CB-CD2 4.42Å
407	I	92.7	Very high	86	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140	177.6	-165.6	160.8	0	0	0	110.1	V369 V414 Y415 V416 C570 P571 T660 C662	V369-I407 HydrophobicContact CG2-CD1 4.29Å; I407-V414 HydrophobicContact CD1-CG1 3.86Å; I407-V414 HydrophobicContact CG1-CG1 3.85Å; I407-Y415 CarbonylContact C-O 3.6Å; I407-Y415 VanDerWaalsContact CA-O 3.3Å; I407-Y415 WeakPolarHBondContact CA-O 3.19Å; I407-V416 HydrophobicContact CD1-CG2 4.05Å; I407-V416 HydrophobicContact CG1-CG2 4.03Å; I407-C570 HydrophobicContact CG2-CB 4.46Å; I407-P571 WeakPolarHBondContact O-CD 3.25Å; I407-T660 HydrophobicContact CB-CG2 4.47Å; I407-T660 HydrophobicContact CG2-CG2 4.39Å; I407-C662 HydrophobicContact CD1-CB 3.68Å; I407-C662 VanDerWaalsContact CD1-SG 3.54Å; I407-C662 HydrophobicContact CG1-CB 4.09Å
408	A	94.2	Very high	85.5	Confident	2 Å²	2	32 Å²	32	2%	0.017	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	145.2	171.9	0	0	0	0	0	110.4	Y415 L453 L460	A408-Y415 PolarHBondContact N-O 3.11Å; A408-Y415 PolarHBondContact O-N 3.46Å; A408-L453 HydrophobicContact CB-CB 4.31Å; A408-L453 HydrophobicContact CB-CD2 3.68Å; A408-L453 HydrophobicContact CB-CG 3.64Å; A408-L453 WeakPolarHBondContact CB-O 3.15Å; A408-L460 HydrophobicContact CB-CD2 3.96Å
409	T	93.5	Very high	84.7	Confident	44 Å²	44	31.8 Å²	31.8	27%	0.27	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	131.8	176.8	54.1	0	0	0	0	109.2	V414 C455 C662 H663	T409-V414 HydrophobicContact CG2-CG1 4.42Å; T409-V414 HydrophobicContact CG2-CG2 4.22Å; T409-C455 WeakPolarHBondContact O-CB 3.23Å; T409-C662 HydrophobicContact CG2-CB 3.6Å; T409-H663 WeakPolarHBondContact CG2-O 3.47Å
410	T	92	Very high	83.9	Confident	19 Å²	19	28.6 Å²	28.6	12%	0.117	15%	0.151	C	C	.	.			trans	-104.1	-178.3	164.9	87.7	0	0	0	0	110.3	S412 H413 Y415 C455 D458 L460	T410-S412 PolarHBondContact O-N 2.6Å; T410-S412 PolarHBondContact OG1-N 3.49Å; T410-H413 PolarHBondContact N-O 3.46Å; T410-H413 PolarHBondContact OG1-N 3.4Å; T410-Y415 HydrophobicContact CG2-CD2 3.86Å; T410-Y415 HydrophobicContact CG2-CE2 3.55Å; T410-C455 HydrophobicContact CG2-CB 4.35Å; T410-D458 WeakPolarHBondContact CB-OD1 3.18Å; T410-D458 PolarHBondContact OG1-OD1 3.5Å; T410-L460 HydrophobicContact CG2-CD2 3.69Å
411	E	85.7	Confident	82.9	Confident	196 Å²	196	31.2 Å²	31.2	92%	0.916	16%	0.162	S	C	*	.	S	Bend	trans	-60.7	-26.1	178.3	-65.3	-169.7	167.3	0	0	112.6
412	S	88.4	Confident	81.8	Confident	47 Å²	47	31.8 Å²	31.8	33%	0.329	18%	0.175	S	C	.	.	S	Bend	trans	-119.4	-26.4	-169.6	60.4	0	0	0	0	114.7	T410 P433	T410-S412 PolarHBondContact O-N 2.6Å; T410-S412 PolarHBondContact OG1-N 3.49Å; S412-P433 WeakPolarHBondContact O-CD 3.5Å
413	H	94.9	Very high	81.3	Confident	31 Å²	31	32.9 Å²	32.9	14%	0.144	19%	0.188	C	C	.	.			trans	-139.7	157.5	-172.2	-63.8	83.7	0	0	0	112.3	T410 Y415 Y431 N432	T410-H413 PolarHBondContact N-O 3.46Å; T410-H413 PolarHBondContact OG1-N 3.4Å; H413-Y415 HydrophobicContact CB-CD2 4.31Å; H413-Y415 HydrophobicContact CB-CE2 3.63Å; H413-Y431 WeakPolarHBondContact CA-O 3.49Å; H413-Y431 PolarHBondContact CD2-O 2.93Å; H413-N432 PolarHBondContact NE2-ND2 2.66Å
414	V	95.6	Very high	81.1	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.7	167.9	-178.5	0	0	0	0	108.2	I407 T409 R430 Y431 C662 V664	I407-V414 HydrophobicContact CD1-CG1 3.86Å; I407-V414 HydrophobicContact CG1-CG1 3.85Å; T409-V414 HydrophobicContact CG2-CG1 4.42Å; T409-V414 HydrophobicContact CG2-CG2 4.22Å; V414-R430 CarbonylContact O-C 3.5Å; V414-R430 WeakPolarHBondContact O-CA 3.19Å; V414-Y431 HydrophobicContact CB-CD1 4.49Å; V414-Y431 HydrophobicContact CG2-CD1 4.29Å; V414-Y431 PolarHBondContact N-O 2.96Å; V414-Y431 VanDerWaalsContact N-O 3.16Å; V414-Y431 PolarHBondContact O-N 2.91Å; V414-C662 VanDerWaalsContact CG1-SG 3.51Å; V414-V664 HydrophobicContact CG2-CB 3.95Å; V414-V664 HydrophobicContact CG2-CG2 3.73Å
415	Y	94.6	Very high	81.2	Confident	1 Å²	1	33.4 Å²	33.4	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.8	179.3	-68.6	-96.5	0	0	0	110.4	I407 A408 T410 H413 V428 E429 R430 L460 Y479 P481	I407-Y415 CarbonylContact C-O 3.6Å; I407-Y415 VanDerWaalsContact CA-O 3.3Å; I407-Y415 WeakPolarHBondContact CA-O 3.19Å; A408-Y415 PolarHBondContact N-O 3.11Å; A408-Y415 PolarHBondContact O-N 3.46Å; T410-Y415 HydrophobicContact CG2-CD2 3.86Å; T410-Y415 HydrophobicContact CG2-CE2 3.55Å; H413-Y415 HydrophobicContact CB-CD2 4.31Å; H413-Y415 HydrophobicContact CB-CE2 3.63Å; Y415-V428 HydrophobicContact CD1-CG1 4.45Å; Y415-E429 WeakPolarHBondContact CA-O 3.4Å; Y415-R430 HydrophobicContact CD1-CB 3.61Å; Y415-R430 HydrophobicContact CE1-CB 3.46Å; Y415-R430 VanDerWaalsContact CE1-CB 3.46Å; Y415-R430 HydrophobicContact CE1-CG 4.34Å; Y415-R430 HydrophobicContact CG-CB 4.26Å; Y415-L460 HydrophobicContact CD1-CD1 3.58Å; Y415-L460 HydrophobicContact CD2-CD1 3.72Å; Y415-L460 HydrophobicContact CD2-CD2 4.19Å; Y415-L460 HydrophobicContact CD2-CG 4.46Å; Y415-L460 HydrophobicContact CE1-CD1 4.05Å; Y415-L460 HydrophobicContact CE2-CD1 4.18Å; Y415-L460 HydrophobicContact CG-CD1 3.39Å; Y415-Y479 HydrophobicContact CD1-CE1 4.43Å; Y415-Y479 HydrophobicContact CE1-CD1 4.39Å; Y415-Y479 AromaticContact CE1-CE1 3.7Å; Y415-Y479 HydrophobicContact CE1-CE1 3.7Å; Y415-P481 WeakPolarHBondContact OH-CB 3.35Å
416	V	92.2	Very high	81.2	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	129.1	173.8	169	0	0	0	0	108.5	V369 L402 H405 A406 I407 V428 E429 W438	V369-V416 HydrophobicContact CB-CG2 4.46Å; V369-V416 HydrophobicContact CG1-CG2 4.14Å; V369-V416 HydrophobicContact CG2-CG2 4.46Å; L402-V416 HydrophobicContact CD1-CG1 3.35Å; H405-V416 HydrophobicContact CB-CG1 3.99Å; H405-V416 WeakPolarHBondContact CD2-CG1 3.29Å; A406-V416 WeakPolarHBondContact O-CA 3.46Å; I407-V416 HydrophobicContact CD1-CG2 4.05Å; I407-V416 HydrophobicContact CG1-CG2 4.03Å; V416-V428 WeakPolarHBondContact O-CA 3.45Å; V416-E429 PolarHBondContact N-O 3.34Å; V416-E429 PolarHBondContact O-N 3.01Å; V416-W438 HydrophobicContact CB-CH2 4.36Å; V416-W438 HydrophobicContact CB-CZ3 4.15Å; V416-W438 HydrophobicContact CG2-CH2 3.73Å; V416-W438 HydrophobicContact CG2-CZ3 3.99Å
417	A	90.2	Very high	81.1	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	141	-174	0	0	0	0	0	112.5	A406 V428 L444 F451 L453	A406-A417 PolarHBondContact N-O 3.43Å; A406-A417 PolarHBondContact O-N 3.31Å; A417-V428 HydrophobicContact CB-CB 4.44Å; A417-V428 HydrophobicContact CB-CG1 4.13Å; A417-V428 HydrophobicContact CB-CG2 3.87Å; A417-L444 HydrophobicContact CB-CD1 4.26Å; A417-F451 HydrophobicContact CB-CE2 4.42Å; A417-F451 HydrophobicContact CB-CZ 3.72Å; A417-F451 WeakPolarHBondContact O-CE1 3.43Å; A417-F451 VanDerWaalsContact O-CZ 3.3Å; A417-F451 WeakPolarHBondContact O-CZ 3.31Å; A417-L453 HydrophobicContact CB-CD2 4.02Å
418	G	77.9	Confident	81.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.207	C	C	.	.			trans	78.6	168.5	-179.9	0	0	0	0	0	113.6	H405 T427	H405-G418 WeakPolarHBondContact CB-O 3.45Å; G418-T427 PolarHBondContact N-O 3.37Å; G418-T427 VanDerWaalsContact N-O 3.15Å
419	S	71	Confident	81	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.007	21%	0.206	C	C	.	.			trans	-173	158.9	178.2	-163.4	0	0	0	0	112.8	H401 L402 D403 F424 A425	H401-S419 PolarHBondContact O-OG 3.34Å; L402-S419 VanDerWaalsContact CA-OG 3.24Å; L402-S419 WeakPolarHBondContact CA-OG 3.42Å; L402-S419 WeakPolarHBondContact CD2-OG 3.18Å; D403-S419 PolarHBondContact N-OG 2.83Å; D403-S419 CarbonylContact O-C 3.55Å; D403-S419 WeakPolarHBondContact O-CA 3.31Å; S419-F424 VanDerWaalsContact O-CA 3.24Å; S419-F424 WeakPolarHBondContact O-CA 3.33Å; S419-F424 VanDerWaalsContact O-CD1 3.31Å; S419-F424 WeakPolarHBondContact O-CD1 3.47Å; S419-A425 PolarHBondContact O-N 3.35Å
420	M	65.8	Low	81.1	Confident	58 Å²	58	38.1 Å²	38.1	29%	0.286	20%	0.204	S	C	.	.			trans	-81.7	135.4	152.5	-83.9	-93.8	-81.8	0	0	112.3	Y378 D403 F424	Y378-M420 HydrophobicContact CE1-CB 4.41Å; D403-M420 HydrophobicContact CB-CB 4.1Å; D403-M420 PolarHBondContact O-N 3.31Å; M420-F424 HydrophobicContact CG-CE1 3.88Å; M420-F424 HydrophobicContact SD-CE1 3.69Å; M420-F424 HydrophobicContact SD-CZ 3.81Å
421	E	54.8	Low	81.3	Confident	110 Å²	110	37.2 Å²	37.2	51%	0.514	20%	0.198	S	C	.	.	S	Bend	trans	83.1	143.2	162.5	-86	-116.4	151.9	0	0	123.4	Y378	Y378-E421 HydrophobicContact CD2-CB 4.36Å; Y378-E421 HydrophobicContact CE2-CB 3.72Å; Y378-E421 HydrophobicContact CE2-CG 3.95Å; Y378-E421 WeakPolarHBondContact OH-CG 3.44Å
422	P	49.6	Very low	81.7	Confident	122 Å²	122	28.9 Å²	28.9	79%	0.792	16%	0.16	S	C	*	.	S	Bend	cis	-78.5	-0.9	-9.3	31.9	-31	0	0	0	112.6
423	G	60.4	Low	81.9	Confident	27 Å²	27	27.1 Å²	27.1	28%	0.278	15%	0.148	S	C	.	.	S	Bend	trans	-160	103.9	172.5	0	0	0	0	0	109.8	A425 R447	G423-A425 PolarHBondContact O-N 3.47Å; G423-R447 PolarHBondContact O-NH1 2.8Å
424	F	66.8	Low	81.6	Confident	11 Å²	11	30.3 Å²	30.3	5%	0.048	17%	0.166	C	C	.	.			trans	4.5	107.8	-179.9	-71	-62.9	0	0	0	115.4	S419 M420 R447 H449 N468	S419-F424 VanDerWaalsContact O-CA 3.24Å; S419-F424 WeakPolarHBondContact O-CA 3.33Å; S419-F424 VanDerWaalsContact O-CD1 3.31Å; S419-F424 WeakPolarHBondContact O-CD1 3.47Å; M420-F424 HydrophobicContact CG-CE1 3.88Å; M420-F424 HydrophobicContact SD-CE1 3.69Å; M420-F424 HydrophobicContact SD-CZ 3.81Å; F424-R447 HydrophobicContact CB-CB 3.68Å; F424-R447 VanDerWaalsContact O-CB 3.26Å; F424-R447 WeakPolarHBondContact O-CB 3.01Å; F424-R447 WeakPolarHBondContact O-CD 3.47Å; F424-R447 WeakPolarHBondContact O-CG 3.43Å; F424-R447 PolarHBondContact O-NH1 2.81Å; F424-H449 HydrophobicContact CD1-CB 3.85Å; F424-H449 AromaticContact CD1-CG 3.86Å; F424-H449 AromaticContact CD1-ND1 3.56Å; F424-H449 HydrophobicContact CE1-CB 3.67Å; F424-H449 AromaticContact CE1-CD2 3.68Å; F424-H449 AromaticContact CE1-CE1 3.15Å; F424-H449 WeakPolarHBondContact CE1-CE1 3.45Å; F424-H449 AromaticContact CE1-CG 3.24Å; F424-H449 AromaticContact CE1-ND1 2.97Å; F424-H449 WeakPolarHBondContact CE1-ND1 3.48Å; F424-H449 AromaticContact CE1-NE2 3.58Å; F424-H449 AromaticContact CE2-CE1 3.9Å; F424-H449 AromaticContact CZ-CE1 3.01Å; F424-H449 WeakPolarHBondContact CZ-CE1 3.5Å; F424-H449 AromaticContact CZ-CG 3.96Å; F424-H449 AromaticContact CZ-ND1 3.33Å; F424-H449 VanDerWaalsContact CZ-ND1 3.33Å; F424-H449 WeakPolarHBondContact CZ-ND1 3.25Å; F424-H449 AromaticContact CZ-NE2 3.56Å; F424-N468 HydrophobicContact CD2-CB 4.03Å; F424-N468 HydrophobicContact CE2-CB 3.77Å; F424-N468 WeakPolarHBondContact CE2-OD1 3.18Å
425	A	70.9	Confident	81.4	Confident	15 Å²	15	37.3 Å²	37.3	12%	0.124	19%	0.192	C	C	.	.			trans	-72.6	144.8	-174.2	0	0	0	0	0	111.4	S419 G423 T427	S419-A425 PolarHBondContact O-N 3.35Å; G423-A425 PolarHBondContact O-N 3.47Å; A425-T427 VanDerWaalsContact C-N 3.32Å; A425-T427 HydrophobicContact CB-CG2 4.47Å; A425-T427 WeakPolarHBondContact CB-OG1 3.41Å
426	K	84.8	Confident	81.2	Confident	75 Å²	75	38.8 Å²	38.8	33%	0.326	20%	0.2	S	C	.	.			trans	-91.7	-1.9	166	-59.7	-176.9	170.2	-161.1	0	111.5	N443 L444 T445 R447	K426-N443 HydrophobicContact CB-CB 3.96Å; K426-N443 CarbonylContact O-C 3.32Å; K426-N443 WeakPolarHBondContact O-CA 3.42Å; K426-N443 VanDerWaalsContact O-CB 3.3Å; K426-N443 WeakPolarHBondContact O-CB 3.48Å; K426-L444 HydrophobicContact CB-CB 4.28Å; K426-L444 WeakPolarHBondContact CB-O 3.26Å; K426-L444 WeakPolarHBondContact CD-O 3.42Å; K426-L444 PolarHBondContact O-N 2.99Å; K426-T445 WeakPolarHBondContact CE-O 3.17Å; K426-T445 PolarHBondContact NZ-O 3.31Å; K426-R447 HydrophobicContact CD-CG 4.15Å; K426-R447 HydrophobicContact CG-CB 4.49Å; K426-R447 HydrophobicContact CG-CG 3.59Å
427	T	87.1	Confident	81.4	Confident	25 Å²	25	41.1 Å²	41.1	15%	0.153	21%	0.214	C	C	.	.			trans	-64	138.3	-170.8	49.6	0	0	0	0	110.4	G418 A425 N443	G418-T427 PolarHBondContact N-O 3.37Å; G418-T427 VanDerWaalsContact N-O 3.15Å; A425-T427 VanDerWaalsContact C-N 3.32Å; A425-T427 HydrophobicContact CB-CG2 4.47Å; A425-T427 WeakPolarHBondContact CB-OG1 3.41Å; T427-N443 WeakPolarHBondContact CA-OD1 3.41Å
428	V	91.9	Very high	81.6	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	127.2	172	-173.8	0	0	0	0	106.4	Y415 V416 A417 V441 L444 W486	Y415-V428 HydrophobicContact CD1-CG1 4.45Å; V416-V428 WeakPolarHBondContact O-CA 3.45Å; A417-V428 HydrophobicContact CB-CB 4.44Å; A417-V428 HydrophobicContact CB-CG1 4.13Å; A417-V428 HydrophobicContact CB-CG2 3.87Å; V428-V441 HydrophobicContact CB-CG2 3.71Å; V428-V441 HydrophobicContact CG1-CG2 3.41Å; V428-V441 VanDerWaalsContact CG1-CG2 3.41Å; V428-V441 WeakPolarHBondContact O-CG2 3.24Å; V428-V441 PolarHBondContact O-N 2.85Å; V428-V441 VanDerWaalsContact O-N 3.08Å; V428-L444 HydrophobicContact CG2-CD2 4.27Å; V428-L444 HydrophobicContact CG2-CG 3.79Å; V428-W486 HydrophobicContact CG1-CZ2 4.49Å; V428-W486 HydrophobicContact CG2-CZ2 4Å
429	E	92.9	Very high	82.4	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.009	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139.8	175.3	-64.3	-174.3	-129.1	0	0	108.5	H399 N400 Y415 V416 W438 E439	H399-E429 IonicContact CE1-OE2 3.92Å; H399-E429 IonicContact CG-OE2 2.8Å; H399-E429 PolarHBondContact N-OE1 2.95Å; H399-E429 PolarHBondContact N-OE2 2.78Å; H399-E429 IonicContact ND1-OE2 3.48Å; H399-E429 PolarHBondContact ND1-OE2 2.83Å; N400-E429 PolarHBondContact N-OE1 2.97Å; N400-E429 PolarHBondContact ND2-OE1 2.78Å; Y415-E429 WeakPolarHBondContact CA-O 3.4Å; V416-E429 PolarHBondContact N-O 3.34Å; V416-E429 PolarHBondContact O-N 3.01Å; E429-W438 HydrophobicContact CB-CE3 3.81Å; E429-W438 HydrophobicContact CB-CZ3 4.27Å; E429-E439 CarbonylContact C-O 3.55Å; E429-E439 WeakPolarHBondContact CA-O 3.49Å
430	R	95.4	Very high	83.4	Confident	57 Å²	57	49.4 Å²	49.4	22%	0.215	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138	171.7	76.5	177	176.6	-161.2	-0.4	110.2	V414 Y415 W438 E439 V441	V414-R430 CarbonylContact O-C 3.5Å; V414-R430 WeakPolarHBondContact O-CA 3.19Å; Y415-R430 HydrophobicContact CD1-CB 3.61Å; Y415-R430 HydrophobicContact CE1-CB 3.46Å; Y415-R430 VanDerWaalsContact CE1-CB 3.46Å; Y415-R430 HydrophobicContact CE1-CG 4.34Å; Y415-R430 HydrophobicContact CG-CB 4.26Å; R430-W438 CarbonylContact O-C 3.59Å; R430-W438 WeakPolarHBondContact O-CA 3.29Å; R430-E439 HydrophobicContact CG-CB 4.06Å; R430-E439 IonicContact CZ-OE2 2.65Å; R430-E439 PolarHBondContact N-O 2.9Å; R430-E439 IonicContact NE-OE2 3.14Å; R430-E439 PolarHBondContact NE-OE2 3.02Å; R430-E439 IonicContact NH2-OE2 3.61Å; R430-E439 PolarHBondContact NH2-OE2 3.22Å; R430-E439 PolarHBondContact O-N 2.88Å; R430-V441 HydrophobicContact CB-CG1 4.29Å; R430-V441 HydrophobicContact CG-CG1 3.76Å
431	Y	96.4	Very high	84.8	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.1	172.8	174.3	-107	0	0	0	109.5	M367 P396 H413 V414 P433 N436 W438 V664 I666	M367-Y431 HydrophobicContact CE-CD1 3.62Å; M367-Y431 HydrophobicContact CE-CD2 4.13Å; M367-Y431 HydrophobicContact CE-CE1 3.46Å; M367-Y431 VanDerWaalsContact CE-CE1 3.46Å; M367-Y431 HydrophobicContact CE-CE2 4Å; M367-Y431 HydrophobicContact CE-CG 3.95Å; M367-Y431 HydrophobicContact SD-CD1 4.32Å; P396-Y431 HydrophobicContact CG-CE2 4.22Å; H413-Y431 WeakPolarHBondContact CA-O 3.49Å; H413-Y431 PolarHBondContact CD2-O 2.93Å; V414-Y431 HydrophobicContact CB-CD1 4.49Å; V414-Y431 HydrophobicContact CG2-CD1 4.29Å; V414-Y431 PolarHBondContact N-O 2.96Å; V414-Y431 VanDerWaalsContact N-O 3.16Å; V414-Y431 PolarHBondContact O-N 2.91Å; Y431-P433 HydrophobicContact CD1-CG 4.03Å; Y431-P433 HydrophobicContact CE1-CB 3.95Å; Y431-P433 HydrophobicContact CE1-CG 3.94Å; Y431-P433 WeakPolarHBondContact O-CD 3.34Å; Y431-N436 PolarHBondContact OH-OD1 3.14Å; Y431-W438 HydrophobicContact CD2-CD2 4.13Å; Y431-W438 AromaticContact CD2-CE2 3.86Å; Y431-W438 HydrophobicContact CD2-CG 4.26Å; Y431-W438 HydrophobicContact CD2-CZ2 4.35Å; Y431-W438 AromaticContact CD2-NE1 3.81Å; Y431-W438 HydrophobicContact CG-CD2 4.4Å; Y431-W438 HydrophobicContact CG-CZ2 4.25Å; Y431-V664 HydrophobicContact CD1-CG2 4.42Å; Y431-V664 HydrophobicContact CE1-CG2 4.2Å; Y431-I666 HydrophobicContact CE1-CD1 4.17Å; Y431-I666 HydrophobicContact CE1-CG1 4.31Å; Y431-I666 WeakPolarHBondContact OH-CD1 3.48Å
432	N	94.8	Very high	86.6	Confident	22 Å²	22	43.8 Å²	43.8	12%	0.118	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	107.1	173.2	-174.1	-41.4	0	0	0	109.4	H413 N434 R435 N436 T437	H413-N432 PolarHBondContact NE2-ND2 2.66Å; N432-N434 VanDerWaalsContact C-N 3.29Å; N432-N434 PolarHBondContact O-N 2.71Å; N432-N434 WeakPolarHBondContact OD1-CB 3.37Å; N432-N434 PolarHBondContact OD1-N 2.72Å; N432-R435 HydrophobicContact CB-CB 4.23Å; N432-R435 PolarHBondContact O-N 3.33Å; N432-R435 PolarHBondContact OD1-N 3.04Å; N432-R435 VanDerWaalsContact OD1-N 3.12Å; N432-N436 WeakPolarHBondContact O-CA 3.3Å; N432-N436 PolarHBondContact O-N 3.3Å; N432-T437 PolarHBondContact N-O 2.83Å; N432-T437 PolarHBondContact O-N 3.2Å
433	P	92.5	Very high	88.6	Confident	10 Å²	10	41.5 Å²	41.5	7%	0.065	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-30	-177.1	-19.4	32.3	0	0	0	113.5	S412 Y431 R435 V664 R665 I666 P667	S412-P433 WeakPolarHBondContact O-CD 3.5Å; Y431-P433 HydrophobicContact CD1-CG 4.03Å; Y431-P433 HydrophobicContact CE1-CB 3.95Å; Y431-P433 HydrophobicContact CE1-CG 3.94Å; Y431-P433 WeakPolarHBondContact O-CD 3.34Å; P433-R435 VanDerWaalsContact C-N 3.34Å; P433-V664 HydrophobicContact CB-CG2 3.98Å; P433-V664 HydrophobicContact CG-CG2 3.56Å; P433-R665 WeakPolarHBondContact CB-O 3.4Å; P433-I666 HydrophobicContact CB-CG1 4.34Å; P433-P667 WeakPolarHBondContact O-CD 3.22Å
434	N	88.4	Confident	90	Very high	98 Å²	98	40.4 Å²	40.4	52%	0.524	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-28.8	179.8	-65.4	-51.9	0	0	0	112.6	N432 F670	N432-N434 VanDerWaalsContact C-N 3.29Å; N432-N434 PolarHBondContact O-N 2.71Å; N432-N434 WeakPolarHBondContact OD1-CB 3.37Å; N432-N434 PolarHBondContact OD1-N 2.72Å; N434-F670 WeakPolarHBondContact O-CE2 3.42Å
435	R	90.1	Very high	90.9	Very high	149 Å²	149	42.8 Å²	42.8	56%	0.562	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-16.2	177.6	-61.5	-177.9	71	-161.1	3.2	112.8	N432 P433 T437 E439	N432-R435 HydrophobicContact CB-CB 4.23Å; N432-R435 PolarHBondContact O-N 3.33Å; N432-R435 PolarHBondContact OD1-N 3.04Å; N432-R435 VanDerWaalsContact OD1-N 3.12Å; P433-R435 VanDerWaalsContact C-N 3.34Å; R435-T437 VanDerWaalsContact C-N 3.35Å; R435-T437 WeakPolarHBondContact CB-OG1 3.4Å; R435-E439 IonicContact CZ-OE1 2.68Å; R435-E439 IonicContact NH1-OE1 3.09Å; R435-E439 PolarHBondContact NH1-OE1 3.39Å
436	N	92.3	Very high	91.5	Very high	32 Å²	32	43.9 Å²	43.9	17%	0.171	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	53.1	-171.3	-169.8	41.3	0	0	0	110.8	P396 Y431 N432 F670	P396-N436 WeakPolarHBondContact CD-OD1 3.44Å; P396-N436 HydrophobicContact CG-CB 4.45Å; P396-N436 VanDerWaalsContact CG-CG 3.5Å; P396-N436 WeakPolarHBondContact CG-O 3.26Å; P396-N436 WeakPolarHBondContact CG-OD1 3.34Å; Y431-N436 PolarHBondContact OH-OD1 3.14Å; N432-N436 WeakPolarHBondContact O-CA 3.3Å; N432-N436 PolarHBondContact O-N 3.3Å; N436-F670 HydrophobicContact CB-CB 4.19Å; N436-F670 HydrophobicContact CB-CD1 3.57Å; N436-F670 HydrophobicContact CB-CD2 3.62Å; N436-F670 HydrophobicContact CB-CE1 3.7Å; N436-F670 HydrophobicContact CB-CE2 3.74Å; N436-F670 HydrophobicContact CB-CG 3.52Å; N436-F670 HydrophobicContact CB-CZ 3.77Å
437	T	94.6	Very high	91.5	Very high	49 Å²	49	46.8 Å²	46.8	30%	0.301	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	147.2	-178.8	54.5	0	0	0	0	111.7	N432 R435	N432-T437 PolarHBondContact N-O 2.83Å; N432-T437 PolarHBondContact O-N 3.2Å; R435-T437 VanDerWaalsContact C-N 3.35Å; R435-T437 WeakPolarHBondContact CB-OG1 3.4Å
438	W	94.4	Very high	91.2	Very high	15 Å²	15	45.6 Å²	45.6	6%	0.057	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	145.7	167.2	-69	94.6	0	0	0	110.9	M367 V369 P396 I398 H399 V416 E429 R430 Y431	M367-W438 HydrophobicContact CE-CZ2 4.44Å; M367-W438 HydrophobicContact SD-CH2 4.39Å; M367-W438 HydrophobicContact SD-CZ2 3.94Å; V369-W438 HydrophobicContact CG1-CH2 4.38Å; V369-W438 HydrophobicContact CG1-CZ2 4.36Å; V369-W438 HydrophobicContact CG2-CH2 4.17Å; V369-W438 HydrophobicContact CG2-CZ2 4.05Å; P396-W438 PolarHBondContact O-NE1 3.45Å; I398-W438 HydrophobicContact CG2-CD2 3.57Å; I398-W438 VanDerWaalsContact CG2-CE2 3.42Å; I398-W438 HydrophobicContact CG2-CE3 3.83Å; I398-W438 HydrophobicContact CG2-CG 4.17Å; I398-W438 HydrophobicContact CG2-CH2 3.85Å; I398-W438 HydrophobicContact CG2-CZ2 3.58Å; I398-W438 HydrophobicContact CG2-CZ3 3.96Å; H399-W438 PolarHBondContact CE1-O 3.08Å; V416-W438 HydrophobicContact CB-CH2 4.36Å; V416-W438 HydrophobicContact CB-CZ3 4.15Å; V416-W438 HydrophobicContact CG2-CH2 3.73Å; V416-W438 HydrophobicContact CG2-CZ3 3.99Å; E429-W438 HydrophobicContact CB-CE3 3.81Å; E429-W438 HydrophobicContact CB-CZ3 4.27Å; R430-W438 CarbonylContact O-C 3.59Å; R430-W438 WeakPolarHBondContact O-CA 3.29Å; Y431-W438 HydrophobicContact CD2-CD2 4.13Å; Y431-W438 AromaticContact CD2-CE2 3.86Å; Y431-W438 HydrophobicContact CD2-CG 4.26Å; Y431-W438 HydrophobicContact CD2-CZ2 4.35Å; Y431-W438 AromaticContact CD2-NE1 3.81Å; Y431-W438 HydrophobicContact CG-CD2 4.4Å; Y431-W438 HydrophobicContact CG-CZ2 4.25Å
439	E	94.4	Very high	90.8	Very high	39 Å²	39	46.6 Å²	46.6	18%	0.182	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	133.4	177.2	-63.9	176.1	-176.9	0	0	108.6	E429 R430 R435	E429-E439 CarbonylContact C-O 3.55Å; E429-E439 WeakPolarHBondContact CA-O 3.49Å; R430-E439 HydrophobicContact CG-CB 4.06Å; R430-E439 IonicContact CZ-OE2 2.65Å; R430-E439 PolarHBondContact N-O 2.9Å; R430-E439 IonicContact NE-OE2 3.14Å; R430-E439 PolarHBondContact NE-OE2 3.02Å; R430-E439 IonicContact NH2-OE2 3.61Å; R430-E439 PolarHBondContact NH2-OE2 3.22Å; R430-E439 PolarHBondContact O-N 2.88Å; R435-E439 IonicContact CZ-OE1 2.68Å; R435-E439 IonicContact NH1-OE1 3.09Å; R435-E439 PolarHBondContact NH1-OE1 3.39Å
440	Q	92.5	Very high	90.3	Very high	121 Å²	121	48.3 Å²	48.3	57%	0.565	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	137.4	172.6	-171.1	174	-0.8	0	0	109.8
441	V	94.9	Very high	90	Very high	9 Å²	9	46 Å²	46	6%	0.055	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	178.7	175.6	-64.4	0	0	0	0	110.5	V428 R430 N443 Y479 D484	V428-V441 HydrophobicContact CB-CG2 3.71Å; V428-V441 HydrophobicContact CG1-CG2 3.41Å; V428-V441 VanDerWaalsContact CG1-CG2 3.41Å; V428-V441 WeakPolarHBondContact O-CG2 3.24Å; V428-V441 PolarHBondContact O-N 2.85Å; V428-V441 VanDerWaalsContact O-N 3.08Å; R430-V441 HydrophobicContact CB-CG1 4.29Å; R430-V441 HydrophobicContact CG-CG1 3.76Å; V441-N443 PolarHBondContact O-N 2.93Å; V441-Y479 WeakPolarHBondContact CB-OH 3.03Å; V441-D484 WeakPolarHBondContact CB-OD1 3.3Å
442	S	93.6	Very high	89.7	Confident	41 Å²	41	46.1 Å²	46.1	29%	0.287	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-50.8	131.4	178.9	-85.4	0	0	0	0	112.4	D484 W486	S442-D484 VanDerWaalsContact CB-O 3.3Å; S442-D484 WeakPolarHBondContact CB-O 3.43Å; S442-D484 WeakPolarHBondContact CB-OD1 3.1Å; S442-D484 PolarHBondContact N-OD1 2.99Å; S442-D484 PolarHBondContact OG-O 2.83Å; S442-D484 PolarHBondContact OG-OD1 3.02Å; S442-W486 PolarHBondContact O-NE1 2.91Å
443	N	92.2	Very high	89.6	Confident	75 Å²	75	45.2 Å²	45.2	40%	0.401	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-71.1	152.8	-178.4	-66.1	-40.7	0	0	0	112	K426 T427 V441 W486	K426-N443 HydrophobicContact CB-CB 3.96Å; K426-N443 CarbonylContact O-C 3.32Å; K426-N443 WeakPolarHBondContact O-CA 3.42Å; K426-N443 VanDerWaalsContact O-CB 3.3Å; K426-N443 WeakPolarHBondContact O-CB 3.48Å; T427-N443 WeakPolarHBondContact CA-OD1 3.41Å; V441-N443 PolarHBondContact O-N 2.93Å; N443-W486 PolarHBondContact O-NE1 2.76Å
444	L	89.3	Confident	89.8	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.016	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-56.2	149.8	170.1	-67.3	170.7	0	0	0	111.8	A417 K426 V428 T446 K448 F451 W486	A417-L444 HydrophobicContact CB-CD1 4.26Å; K426-L444 HydrophobicContact CB-CB 4.28Å; K426-L444 WeakPolarHBondContact CB-O 3.26Å; K426-L444 WeakPolarHBondContact CD-O 3.42Å; K426-L444 PolarHBondContact O-N 2.99Å; V428-L444 HydrophobicContact CG2-CD2 4.27Å; V428-L444 HydrophobicContact CG2-CG 3.79Å; L444-T446 WeakPolarHBondContact CB-O 3.34Å; L444-K448 HydrophobicContact CD1-CG 4.24Å; L444-F451 HydrophobicContact CD1-CE1 4.22Å; L444-F451 HydrophobicContact CD1-CZ 3.88Å; L444-W486 HydrophobicContact CD2-CD2 4.37Å; L444-W486 HydrophobicContact CD2-CE3 4.38Å; L444-W486 HydrophobicContact CD2-CH2 3.6Å; L444-W486 HydrophobicContact CD2-CZ2 3.56Å; L444-W486 HydrophobicContact CD2-CZ3 4.02Å
445	T	85.2	Confident	90.1	Very high	61 Å²	61	41.2 Å²	41.2	37%	0.374	21%	0.206	S	C	.	.	S	Bend	trans	-66.2	-40.5	174.5	-46.2	0	0	0	0	111.7	K426 N488	K426-T445 WeakPolarHBondContact CE-O 3.17Å; K426-T445 PolarHBondContact NZ-O 3.31Å; T445-N488 PolarHBondContact OG1-OD1 2.83Å
446	T	83.6	Confident	90.3	Very high	38 Å²	38	34.3 Å²	34.3	23%	0.233	18%	0.18	C	C	.	.	S	Bend	trans	-114.4	147.2	-173.9	50.9	0	0	0	0	111	L444 K448 D475	L444-T446 WeakPolarHBondContact CB-O 3.34Å; T446-K448 PolarHBondContact O-N 3.23Å; T446-D475 PolarHBondContact OG1-OD2 2.85Å
447	R	84.3	Confident	90.2	Very high	137 Å²	137	38.7 Å²	38.7	52%	0.517	20%	0.198	S	C	.	.			trans	-81.7	110.3	172.9	-70.4	-173.1	-178.8	-88.6	2.4	108.1	G423 F424 K426	G423-R447 PolarHBondContact O-NH1 2.8Å; F424-R447 HydrophobicContact CB-CB 3.68Å; F424-R447 VanDerWaalsContact O-CB 3.26Å; F424-R447 WeakPolarHBondContact O-CB 3.01Å; F424-R447 WeakPolarHBondContact O-CD 3.47Å; F424-R447 WeakPolarHBondContact O-CG 3.43Å; F424-R447 PolarHBondContact O-NH1 2.81Å; K426-R447 HydrophobicContact CD-CG 4.15Å; K426-R447 HydrophobicContact CG-CB 4.49Å; K426-R447 HydrophobicContact CG-CG 3.59Å
448	K	82.1	Confident	90.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.			trans	-148.9	159.3	-173.2	56.7	178.3	171.2	-173	0	113.8	L444 T446 F451 S462 G464 H466 F473 D475	L444-K448 HydrophobicContact CD1-CG 4.24Å; T446-K448 PolarHBondContact O-N 3.23Å; K448-F451 HydrophobicContact CB-CD1 4.42Å; K448-F451 HydrophobicContact CD-CB 4.07Å; K448-F451 HydrophobicContact CD-CD1 4.11Å; K448-F451 HydrophobicContact CD-CD2 4.43Å; K448-F451 HydrophobicContact CD-CG 3.96Å; K448-F451 HydrophobicContact CG-CD1 3.81Å; K448-F451 HydrophobicContact CG-CE1 4.17Å; K448-F451 HydrophobicContact CG-CG 4.2Å; K448-S462 WeakPolarHBondContact CE-OG 3.43Å; K448-S462 PolarHBondContact NZ-OG 2.98Å; K448-G464 VanDerWaalsContact CD-O 3.23Å; K448-G464 WeakPolarHBondContact CD-O 3.49Å; K448-H466 WeakPolarHBondContact CA-O 3.44Å; K448-F473 HydrophobicContact CB-CD2 3.93Å; K448-F473 HydrophobicContact CB-CE2 3.7Å; K448-D475 IonicContact NZ-OD1 3.93Å; K448-D475 PolarHBondContact NZ-OD1 3.18Å; K448-D475 IonicContact NZ-OD2 2.68Å; K448-D475 PolarHBondContact NZ-OD2 3.1Å
449	H	82.2	Confident	90.1	Very high	20 Å²	20	40.5 Å²	40.5	9%	0.093	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-140.4	169.3	173.9	69.5	-60.7	0	0	0	110.1	F424 F451 G465 H466	F424-H449 HydrophobicContact CD1-CB 3.85Å; F424-H449 AromaticContact CD1-CG 3.86Å; F424-H449 AromaticContact CD1-ND1 3.56Å; F424-H449 HydrophobicContact CE1-CB 3.67Å; F424-H449 AromaticContact CE1-CD2 3.68Å; F424-H449 AromaticContact CE1-CE1 3.15Å; F424-H449 WeakPolarHBondContact CE1-CE1 3.45Å; F424-H449 AromaticContact CE1-CG 3.24Å; F424-H449 AromaticContact CE1-ND1 2.97Å; F424-H449 WeakPolarHBondContact CE1-ND1 3.48Å; F424-H449 AromaticContact CE1-NE2 3.58Å; F424-H449 AromaticContact CE2-CE1 3.9Å; F424-H449 AromaticContact CZ-CE1 3.01Å; F424-H449 WeakPolarHBondContact CZ-CE1 3.5Å; F424-H449 AromaticContact CZ-CG 3.96Å; F424-H449 AromaticContact CZ-ND1 3.33Å; F424-H449 VanDerWaalsContact CZ-ND1 3.33Å; F424-H449 WeakPolarHBondContact CZ-ND1 3.25Å; F424-H449 AromaticContact CZ-NE2 3.56Å; H449-F451 PolarHBondContact O-N 3.42Å; H449-G465 VanDerWaalsContact O-CA 3.29Å; H449-G465 WeakPolarHBondContact O-CA 3.48Å; H449-H466 AromaticContact CD2-CE1 3.8Å; H449-H466 AromaticContact CD2-NE2 3.78Å; H449-H466 AromaticContact CE1-CD2 3.75Å; H449-H466 AromaticContact CE1-CE1 2.89Å; H449-H466 PolarHBondContact CE1-CE1 3.17Å; H449-H466 AromaticContact CE1-CG 3.43Å; H449-H466 VanDerWaalsContact CE1-CG 3.43Å; H449-H466 AromaticContact CE1-ND1 2.87Å; H449-H466 PolarHBondContact CE1-ND1 3.38Å; H449-H466 AromaticContact CE1-NE2 3.47Å; H449-H466 PolarHBondContact CE1-NE2 2.89Å; H449-H466 PolarHBondContact CE1-O 3.5Å; H449-H466 PolarHBondContact N-O 3.14Å; H449-H466 VanDerWaalsContact N-O 3.07Å; H449-H466 AromaticContact ND1-CE1 3.89Å; H449-H466 AromaticContact ND1-CG 3.88Å; H449-H466 AromaticContact ND1-ND1 3.75Å; H449-H466 PolarHBondContact ND1-O 3.16Å; H449-H466 AromaticContact NE2-CD2 3.91Å; H449-H466 AromaticContact NE2-CE1 2.77Å; H449-H466 PolarHBondContact NE2-CE1 2.83Å; H449-H466 AromaticContact NE2-CG 3.99Å; H449-H466 AromaticContact NE2-ND1 3.34Å; H449-H466 PolarHBondContact NE2-ND1 3.37Å; H449-H466 AromaticContact NE2-NE2 3.2Å; H449-H466 PolarHBondContact NE2-NE2 2.87Å; H449-H466 PolarHBondContact O-N 3.46Å
450	S	82.1	Confident	90.1	Very high	38 Å²	38	38.7 Å²	38.7	27%	0.266	20%	0.198	S	C	.	.	S	Bend	trans	50.6	33.2	-179.7	-59.2	0	0	0	0	113	G404 D498 V499	G404-S450 PolarHBondContact O-N 2.74Å; S450-D498 WeakPolarHBondContact CB-OD1 2.91Å; S450-D498 WeakPolarHBondContact O-CA 3.36Å; S450-D498 PolarHBondContact O-N 3.08Å; S450-D498 VanDerWaalsContact O-N 3.1Å; S450-V499 PolarHBondContact O-N 2.61Å; S450-V499 VanDerWaalsContact O-N 3.1Å
451	F	89.2	Confident	90.3	Very high	8 Å²	8	34 Å²	34	4%	0.035	18%	0.175	C	C	.	.			trans	-97.5	162.1	176.9	69.6	-83.3	0	0	0	110.3	A406 A417 L444 K448 H449 L453 S462 G464	A406-F451 HydrophobicContact CB-CD1 4.24Å; A406-F451 HydrophobicContact CB-CD2 4.09Å; A406-F451 HydrophobicContact CB-CE1 3.8Å; A406-F451 HydrophobicContact CB-CE2 3.65Å; A406-F451 HydrophobicContact CB-CG 4.37Å; A406-F451 HydrophobicContact CB-CZ 3.49Å; A406-F451 VanDerWaalsContact CB-CZ 3.49Å; A417-F451 HydrophobicContact CB-CE2 4.42Å; A417-F451 HydrophobicContact CB-CZ 3.72Å; A417-F451 WeakPolarHBondContact O-CE1 3.43Å; A417-F451 VanDerWaalsContact O-CZ 3.3Å; A417-F451 WeakPolarHBondContact O-CZ 3.31Å; L444-F451 HydrophobicContact CD1-CE1 4.22Å; L444-F451 HydrophobicContact CD1-CZ 3.88Å; K448-F451 HydrophobicContact CB-CD1 4.42Å; K448-F451 HydrophobicContact CD-CB 4.07Å; K448-F451 HydrophobicContact CD-CD1 4.11Å; K448-F451 HydrophobicContact CD-CD2 4.43Å; K448-F451 HydrophobicContact CD-CG 3.96Å; K448-F451 HydrophobicContact CG-CD1 3.81Å; K448-F451 HydrophobicContact CG-CE1 4.17Å; K448-F451 HydrophobicContact CG-CG 4.2Å; H449-F451 PolarHBondContact O-N 3.42Å; F451-L453 HydrophobicContact CD2-CB 4.48Å; F451-L453 HydrophobicContact CE2-CB 3.94Å; F451-L453 HydrophobicContact CE2-CD1 4.18Å; F451-S462 WeakPolarHBondContact CD2-OG 3.32Å; F451-S462 VanDerWaalsContact CE2-OG 3.25Å; F451-S462 WeakPolarHBondContact CE2-OG 3.33Å; F451-G464 WeakPolarHBondContact CB-O 3.37Å
452	G	90.5	Very high	90.3	Very high	3 Å²	3	33.6 Å²	33.6	3%	0.031	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	126.6	177.6	0	0	0	0	0	109.2	S462 I463 V499	G452-S462 CarbonylContact O-C 3.52Å; G452-S462 VanDerWaalsContact O-CA 3.31Å; G452-S462 WeakPolarHBondContact O-CA 3.46Å; G452-I463 PolarHBondContact N-O 3.36Å; G452-I463 PolarHBondContact O-N 3.31Å; G452-V499 VanDerWaalsContact N-CB 3.34Å
453	L	94.1	Very high	90.3	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	106.6	170.4	-173.8	72.1	0	0	0	108.1	A406 A408 A417 F451 L460 Y461 W486 P571	A406-L453 HydrophobicContact CB-CB 3.54Å; A406-L453 HydrophobicContact CB-CD2 4.42Å; A408-L453 HydrophobicContact CB-CB 4.31Å; A408-L453 HydrophobicContact CB-CD2 3.68Å; A408-L453 HydrophobicContact CB-CG 3.64Å; A408-L453 WeakPolarHBondContact CB-O 3.15Å; A417-L453 HydrophobicContact CB-CD2 4.02Å; F451-L453 HydrophobicContact CD2-CB 4.48Å; F451-L453 HydrophobicContact CE2-CB 3.94Å; F451-L453 HydrophobicContact CE2-CD1 4.18Å; L453-L460 HydrophobicContact CD1-CB 4.14Å; L453-Y461 WeakPolarHBondContact CA-O 3.01Å; L453-W486 HydrophobicContact CD1-CH2 4.1Å; L453-P571 VanDerWaalsContact O-CG 3.28Å; L453-P571 WeakPolarHBondContact O-CG 3.34Å
454	T	94.8	Very high	90.3	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.012	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149.7	-177.8	-167.1	0	0	0	0	111.3	I456 L460 Y461 V509	T454-I456 HydrophobicContact CG2-CD1 4.44Å; T454-I456 HydrophobicContact CG2-CG1 4.48Å; T454-L460 CarbonylContact O-C 3.5Å; T454-L460 WeakPolarHBondContact O-CA 3.33Å; T454-Y461 PolarHBondContact N-O 2.83Å; T454-Y461 PolarHBondContact O-N 3.47Å; T454-V509 HydrophobicContact CG2-CG1 3.85Å; T454-V509 HydrophobicContact CG2-CG2 4.1Å
455	C	94.9	Very high	90.2	Very high	22 Å²	22	28 Å²	28	15%	0.149	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	137.5	176	179.6	0	0	0	0	110.7	T409 T410 I459 L460	T409-C455 WeakPolarHBondContact O-CB 3.23Å; T410-C455 HydrophobicContact CG2-CB 4.35Å; C455-I459 CarbonylContact C-O 3.53Å; C455-I459 WeakPolarHBondContact CA-O 3.47Å; C455-L460 HydrophobicContact CB-CD2 4.03Å
456	I	94.3	Very high	90.1	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.021	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	117.5	174.5	-54.3	169.8	0	0	0	107.6	T454 D458 I459 Y461 D506 V509 T534	T454-I456 HydrophobicContact CG2-CD1 4.44Å; T454-I456 HydrophobicContact CG2-CG1 4.48Å; I456-D458 PolarHBondContact O-N 3.46Å; I456-I459 PolarHBondContact N-O 2.95Å; I456-I459 WeakPolarHBondContact O-CB 3.37Å; I456-I459 PolarHBondContact O-N 2.65Å; I456-Y461 HydrophobicContact CB-CD2 4.14Å; I456-Y461 HydrophobicContact CB-CE2 3.91Å; I456-Y461 HydrophobicContact CD1-CD2 3.54Å; I456-Y461 HydrophobicContact CD1-CE2 3.66Å; I456-Y461 HydrophobicContact CD1-CG 4.02Å; I456-Y461 HydrophobicContact CG1-CD2 3.99Å; I456-Y461 HydrophobicContact CG1-CE2 4.17Å; I456-D506 WeakPolarHBondContact CG2-O 3.42Å; I456-V509 HydrophobicContact CD1-CG2 3.12Å; I456-V509 HydrophobicContact CG1-CG2 4.21Å; I456-T534 HydrophobicContact CD1-CG2 3.3Å; I456-T534 HydrophobicContact CG2-CG2 4.4Å
457	K	91.2	Very high	89.9	Confident	124 Å²	124	24.8 Å²	24.8	54%	0.539	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	45.7	-176.8	-57.2	179.5	174.1	157.7	0	112.5	I459 D506 E535	K457-I459 PolarHBondContact O-N 3Å; K457-I459 VanDerWaalsContact O-N 3.16Å; K457-D506 WeakPolarHBondContact CE-O 3.28Å; K457-D506 HydrophobicContact CG-CB 3.77Å; K457-E535 IonicContact NZ-OE1 3.62Å
458	D	91.6	Very high	89.2	Confident	51 Å²	51	23 Å²	23	27%	0.273	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	7.9	-178.1	-151.3	32.9	0	0	0	115.3	T410 I456 P481	T410-D458 WeakPolarHBondContact CB-OD1 3.18Å; T410-D458 PolarHBondContact OG1-OD1 3.5Å; I456-D458 PolarHBondContact O-N 3.46Å; D458-P481 WeakPolarHBondContact O-CD 3.34Å; D458-P481 VanDerWaalsContact O-CG 3.26Å; D458-P481 WeakPolarHBondContact O-CG 3.09Å
459	I	94.3	Very high	88.5	Confident	52 Å²	52	32.6 Å²	32.6	27%	0.267	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.7	173.3	-60.4	175.7	0	0	0	109.2	C455 I456 K457 Y461 V478 Y479	C455-I459 CarbonylContact C-O 3.53Å; C455-I459 WeakPolarHBondContact CA-O 3.47Å; I456-I459 PolarHBondContact N-O 2.95Å; I456-I459 WeakPolarHBondContact O-CB 3.37Å; I456-I459 PolarHBondContact O-N 2.65Å; K457-I459 PolarHBondContact O-N 3Å; K457-I459 VanDerWaalsContact O-N 3.16Å; I459-Y461 HydrophobicContact CB-CE2 4.25Å; I459-Y461 HydrophobicContact CG2-CD2 4.35Å; I459-Y461 HydrophobicContact CG2-CE2 3.86Å; I459-V478 HydrophobicContact CG2-CB 4.02Å; I459-V478 HydrophobicContact CG2-CG1 4.41Å; I459-Y479 WeakPolarHBondContact CG2-O 3.5Å
460	L	95.8	Very high	88.1	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	133.9	178.5	-49.8	174.7	0	0	0	111.1	A408 T410 Y415 L453 T454 C455 V478 Y479	A408-L460 HydrophobicContact CB-CD2 3.96Å; T410-L460 HydrophobicContact CG2-CD2 3.69Å; Y415-L460 HydrophobicContact CD1-CD1 3.58Å; Y415-L460 HydrophobicContact CD2-CD1 3.72Å; Y415-L460 HydrophobicContact CD2-CD2 4.19Å; Y415-L460 HydrophobicContact CD2-CG 4.46Å; Y415-L460 HydrophobicContact CE1-CD1 4.05Å; Y415-L460 HydrophobicContact CE2-CD1 4.18Å; Y415-L460 HydrophobicContact CG-CD1 3.39Å; L453-L460 HydrophobicContact CD1-CB 4.14Å; T454-L460 CarbonylContact O-C 3.5Å; T454-L460 WeakPolarHBondContact O-CA 3.33Å; C455-L460 HydrophobicContact CB-CD2 4.03Å; L460-V478 CarbonylContact O-C 3.53Å; L460-V478 WeakPolarHBondContact O-CA 3.25Å; L460-Y479 HydrophobicContact CD1-CD1 3.75Å; L460-Y479 HydrophobicContact CD1-CE1 4.45Å; L460-Y479 HydrophobicContact CG-CD1 4.2Å; L460-Y479 PolarHBondContact N-O 3.3Å; L460-Y479 VanDerWaalsContact N-O 3.1Å; L460-Y479 PolarHBondContact O-N 3.47Å
461	Y	95.6	Very high	87.8	Confident	24 Å²	24	35 Å²	35	9%	0.094	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.4	173.8	-74.8	-106.9	0	0	0	109.2	L453 T454 I456 I459 V478 L489 Y532 T534	L453-Y461 WeakPolarHBondContact CA-O 3.01Å; T454-Y461 PolarHBondContact N-O 2.83Å; T454-Y461 PolarHBondContact O-N 3.47Å; I456-Y461 HydrophobicContact CB-CD2 4.14Å; I456-Y461 HydrophobicContact CB-CE2 3.91Å; I456-Y461 HydrophobicContact CD1-CD2 3.54Å; I456-Y461 HydrophobicContact CD1-CE2 3.66Å; I456-Y461 HydrophobicContact CD1-CG 4.02Å; I456-Y461 HydrophobicContact CG1-CD2 3.99Å; I456-Y461 HydrophobicContact CG1-CE2 4.17Å; I459-Y461 HydrophobicContact CB-CE2 4.25Å; I459-Y461 HydrophobicContact CG2-CD2 4.35Å; I459-Y461 HydrophobicContact CG2-CE2 3.86Å; Y461-V478 HydrophobicContact CD1-CG1 3.42Å; Y461-V478 VanDerWaalsContact CD1-CG1 3.42Å; Y461-V478 HydrophobicContact CD2-CG1 4.14Å; Y461-V478 HydrophobicContact CE1-CG1 3.22Å; Y461-V478 HydrophobicContact CE2-CG1 3.97Å; Y461-V478 HydrophobicContact CG-CG1 3.88Å; Y461-L489 HydrophobicContact CD1-CD1 4.41Å; Y461-L489 HydrophobicContact CE1-CD1 3.89Å; Y461-Y532 HydrophobicContact CD1-CE1 4.25Å; Y461-Y532 AromaticContact CE1-CE1 3.97Å; Y461-Y532 HydrophobicContact CE1-CE1 3.97Å; Y461-T534 HydrophobicContact CE1-CG2 3.87Å; Y461-T534 HydrophobicContact CE2-CG2 4.27Å
462	S	94.8	Very high	87.6	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	120.1	171.7	-178.4	0	0	0	0	109.4	K448 F451 G452 V476 S477	K448-S462 WeakPolarHBondContact CE-OG 3.43Å; K448-S462 PolarHBondContact NZ-OG 2.98Å; F451-S462 WeakPolarHBondContact CD2-OG 3.32Å; F451-S462 VanDerWaalsContact CE2-OG 3.25Å; F451-S462 WeakPolarHBondContact CE2-OG 3.33Å; G452-S462 CarbonylContact O-C 3.52Å; G452-S462 VanDerWaalsContact O-CA 3.31Å; G452-S462 WeakPolarHBondContact O-CA 3.46Å; S462-V476 WeakPolarHBondContact O-CA 3.43Å; S462-S477 WeakPolarHBondContact CB-OG 3.42Å; S462-S477 PolarHBondContact N-O 3.47Å; S462-S477 PolarHBondContact O-N 3.33Å
463	I	94.4	Very high	87.5	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	120	-170.5	-57.5	174.4	0	0	0	110	G452 V476 L496 V509 V511 W539	G452-I463 PolarHBondContact N-O 3.36Å; G452-I463 PolarHBondContact O-N 3.31Å; I463-V476 HydrophobicContact CG1-CG1 4.4Å; I463-L496 HydrophobicContact CG2-CD1 3.83Å; I463-V509 HydrophobicContact CD1-CG1 3.98Å; I463-V511 HydrophobicContact CD1-CG2 4.01Å; I463-W539 HydrophobicContact CG2-CH2 3.94Å
464	G	92	Very high	87.5	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.01	21%	0.208	C	C	.	.			trans	62.4	-137.8	170.7	0	0	0	0	0	114	K448 F451 D475	K448-G464 VanDerWaalsContact CD-O 3.23Å; K448-G464 WeakPolarHBondContact CD-O 3.49Å; F451-G464 WeakPolarHBondContact CB-O 3.37Å; G464-D475 PolarHBondContact N-O 3.06Å
465	G	88.2	Confident	87.3	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.			trans	99.1	-168.4	-172	0	0	0	0	0	112.6	H449 G472 F473 L496	H449-G465 VanDerWaalsContact O-CA 3.29Å; H449-G465 WeakPolarHBondContact O-CA 3.48Å; G465-G472 CarbonylContact O-C 3.58Å; G465-G472 VanDerWaalsContact O-CA 3.3Å; G465-G472 WeakPolarHBondContact O-CA 3.35Å; G465-F473 PolarHBondContact O-N 2.81Å; G465-L496 PolarHBondContact N-O 3.41Å
466	H	82.5	Confident	87.3	Confident	23 Å²	23	41.5 Å²	41.5	11%	0.106	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-143.9	173.2	170.9	67.6	104.8	0	0	0	112.7	K448 H449 R497	K448-H466 WeakPolarHBondContact CA-O 3.44Å; H449-H466 AromaticContact CD2-CE1 3.8Å; H449-H466 AromaticContact CD2-NE2 3.78Å; H449-H466 AromaticContact CE1-CD2 3.75Å; H449-H466 AromaticContact CE1-CE1 2.89Å; H449-H466 PolarHBondContact CE1-CE1 3.17Å; H449-H466 AromaticContact CE1-CG 3.43Å; H449-H466 VanDerWaalsContact CE1-CG 3.43Å; H449-H466 AromaticContact CE1-ND1 2.87Å; H449-H466 PolarHBondContact CE1-ND1 3.38Å; H449-H466 AromaticContact CE1-NE2 3.47Å; H449-H466 PolarHBondContact CE1-NE2 2.89Å; H449-H466 PolarHBondContact CE1-O 3.5Å; H449-H466 PolarHBondContact N-O 3.14Å; H449-H466 VanDerWaalsContact N-O 3.07Å; H449-H466 AromaticContact ND1-CE1 3.89Å; H449-H466 AromaticContact ND1-CG 3.88Å; H449-H466 AromaticContact ND1-ND1 3.75Å; H449-H466 PolarHBondContact ND1-O 3.16Å; H449-H466 AromaticContact NE2-CD2 3.91Å; H449-H466 AromaticContact NE2-CE1 2.77Å; H449-H466 PolarHBondContact NE2-CE1 2.83Å; H449-H466 AromaticContact NE2-CG 3.99Å; H449-H466 AromaticContact NE2-ND1 3.34Å; H449-H466 PolarHBondContact NE2-ND1 3.37Å; H449-H466 AromaticContact NE2-NE2 3.2Å; H449-H466 PolarHBondContact NE2-NE2 2.87Å; H449-H466 PolarHBondContact O-N 3.46Å; H466-R497 HydrophobicContact CB-CG 4.32Å; H466-R497 PolarHBondContact CD2-NE 3.06Å; H466-R497 PolarHBondContact CD2-NH2 3.3Å; H466-R497 PolarHBondContact CE1-NH2 2.81Å; H466-R497 VanDerWaalsContact CG-NH2 3.28Å; H466-R497 PolarHBondContact ND1-NH2 2.81Å; H466-R497 PolarHBondContact NE2-NH2 2.8Å
467	G	79.3	Confident	87.4	Confident	8 Å²	8	41.3 Å²	41.3	8%	0.082	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-140.7	-178.4	179.3	0	0	0	0	0	111.1	F469 S470	G467-F469 PolarHBondContact O-N 2.84Å; G467-F469 VanDerWaalsContact O-N 3.12Å; G467-S470 PolarHBondContact O-N 3.48Å
468	N	68.6	Low	87.6	Confident	99 Å²	99	36 Å²	36	53%	0.529	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-31.4	-166.9	-94.1	-23.3	0	0	0	113.4	F424	F424-N468 HydrophobicContact CD2-CB 4.03Å; F424-N468 HydrophobicContact CE2-CB 3.77Å; F424-N468 WeakPolarHBondContact CE2-OD1 3.18Å
469	F	67.9	Low	87.8	Confident	203 Å²	203	33.5 Å²	33.5	89%	0.89	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.8	18.1	-172.6	-49.9	-69	0	0	0	112.2	G467	G467-F469 PolarHBondContact O-N 2.84Å; G467-F469 VanDerWaalsContact O-N 3.12Å
470	S	74.3	Confident	87.8	Confident	31 Å²	31	33.8 Å²	33.8	22%	0.217	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-119.6	133.4	-176.9	179.9	0	0	0	0	110.7	G467 G472 R497	G467-S470 PolarHBondContact O-N 3.48Å; S470-G472 PolarHBondContact O-N 2.63Å; S470-G472 PolarHBondContact OG-N 2.73Å; S470-G472 PolarHBondContact OG-O 3.05Å; S470-R497 PolarHBondContact O-NH1 3.19Å
471	P	75.4	Confident	87.8	Confident	78 Å²	78	34.6 Å²	34.6	51%	0.506	18%	0.176	S	C	.	.	S	Bend	trans	-64.6	-6.2	168.8	30.2	-35	0	0	0	111.9	I495 R497 P516	P471-I495 HydrophobicContact CB-CD1 4.47Å; P471-I495 HydrophobicContact CG-CD1 4.1Å; P471-R497 WeakPolarHBondContact O-CD 3.39Å; P471-R497 PolarHBondContact O-NH1 3.38Å; P471-P516 HydrophobicContact CB-CG 4.34Å
472	G	84.6	Confident	87.6	Confident	6 Å²	6	41.8 Å²	41.8	6%	0.062	21%	0.211	C	C	.	.			trans	137	168.1	173.4	0	0	0	0	0	110.4	G465 S470 I495	G465-G472 CarbonylContact O-C 3.58Å; G465-G472 VanDerWaalsContact O-CA 3.3Å; G465-G472 WeakPolarHBondContact O-CA 3.35Å; S470-G472 PolarHBondContact O-N 2.63Å; S470-G472 PolarHBondContact OG-N 2.73Å; S470-G472 PolarHBondContact OG-O 3.05Å; G472-I495 VanDerWaalsContact CA-CG2 3.43Å
473	F	89.7	Confident	87.6	Confident	48 Å²	48	46.6 Å²	46.6	21%	0.211	23%	0.234	C	C	.	.			trans	-107.9	151.7	-175.2	-57.1	-62.7	0	0	0	112	K448 G465 D475 L496	K448-F473 HydrophobicContact CB-CD2 3.93Å; K448-F473 HydrophobicContact CB-CE2 3.7Å; G465-F473 PolarHBondContact O-N 2.81Å; F473-D475 WeakPolarHBondContact CB-OD1 3.4Å; F473-L496 PolarHBondContact O-N 2.88Å; F473-L496 VanDerWaalsContact O-N 3.14Å
474	K	92.9	Very high	87.6	Confident	93 Å²	93	49.5 Å²	49.5	40%	0.404	25%	0.249	S	C	.	.			trans	-102.9	2	167.8	-56	-171.6	173.6	-162.4	0	111.4	S491 A492 P493 I495	K474-S491 CarbonylContact O-C 3.57Å; K474-S491 VanDerWaalsContact O-CA 3.22Å; K474-S491 WeakPolarHBondContact O-CA 3.47Å; K474-S491 WeakPolarHBondContact O-CB 3.48Å; K474-A492 WeakPolarHBondContact CD-O 3.09Å; K474-A492 PolarHBondContact O-N 2.82Å; K474-P493 PolarHBondContact NZ-O 3.41Å; K474-I495 HydrophobicContact CG-CG1 3.96Å
475	D	91.8	Very high	87.8	Confident	25 Å²	25	54.6 Å²	54.6	13%	0.134	27%	0.271	C	S	.	.			trans	-68.8	140.2	-170.8	69.7	-39	0	0	0	111.2	T446 K448 G464 F473	T446-D475 PolarHBondContact OG1-OD2 2.85Å; K448-D475 IonicContact NZ-OD1 3.93Å; K448-D475 PolarHBondContact NZ-OD1 3.18Å; K448-D475 IonicContact NZ-OD2 2.68Å; K448-D475 PolarHBondContact NZ-OD2 3.1Å; G464-D475 PolarHBondContact N-O 3.06Å; F473-D475 WeakPolarHBondContact CB-OD1 3.4Å
476	V	94.8	Very high	88.2	Confident	1 Å²	1	56 Å²	56	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.5	173.3	-175	0	0	0	0	105.9	S462 I463 L489 E490 A492 W539	S462-V476 WeakPolarHBondContact O-CA 3.43Å; I463-V476 HydrophobicContact CG1-CG1 4.4Å; V476-L489 HydrophobicContact CB-CB 4.19Å; V476-L489 HydrophobicContact CG1-CB 4.12Å; V476-L489 HydrophobicContact CG1-CD1 4.17Å; V476-L489 PolarHBondContact O-N 2.83Å; V476-E490 WeakPolarHBondContact CG2-O 3.39Å; V476-A492 HydrophobicContact CG2-CB 4.47Å; V476-W539 HydrophobicContact CG2-CZ2 3.71Å
477	S	94.9	Very high	88.7	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.007	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	143.5	177.4	60.4	0	0	0	0	110.9	S462 H487	S462-S477 WeakPolarHBondContact CB-OG 3.42Å; S462-S477 PolarHBondContact N-O 3.47Å; S462-S477 PolarHBondContact O-N 3.33Å; S477-H487 CarbonylContact C-O 3.55Å; S477-H487 WeakPolarHBondContact CA-O 3.14Å; S477-H487 WeakPolarHBondContact CB-O 3.34Å
478	V	95.7	Very high	89.5	Confident	11 Å²	11	63 Å²	63	7%	0.067	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	143.7	176.6	-65.7	0	0	0	0	111	I459 L460 Y461 W486 H487 L489	I459-V478 HydrophobicContact CG2-CB 4.02Å; I459-V478 HydrophobicContact CG2-CG1 4.41Å; L460-V478 CarbonylContact O-C 3.53Å; L460-V478 WeakPolarHBondContact O-CA 3.25Å; Y461-V478 HydrophobicContact CD1-CG1 3.42Å; Y461-V478 VanDerWaalsContact CD1-CG1 3.42Å; Y461-V478 HydrophobicContact CD2-CG1 4.14Å; Y461-V478 HydrophobicContact CE1-CG1 3.22Å; Y461-V478 HydrophobicContact CE2-CG1 3.97Å; Y461-V478 HydrophobicContact CG-CG1 3.88Å; V478-W486 CarbonylContact O-C 3.53Å; V478-W486 VanDerWaalsContact O-CA 3.24Å; V478-W486 WeakPolarHBondContact O-CA 3.49Å; V478-H487 HydrophobicContact CG2-CB 3.84Å; V478-H487 PolarHBondContact N-O 2.92Å; V478-H487 PolarHBondContact O-N 3.44Å; V478-L489 HydrophobicContact CG1-CD1 3.5Å; V478-L489 VanDerWaalsContact CG1-CD1 3.5Å; V478-L489 HydrophobicContact CG1-CG 4.06Å; V478-L489 HydrophobicContact CG2-CD2 4.25Å; V478-L489 HydrophobicContact CG2-CG 4.33Å
479	Y	96.3	Very high	90.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.3	172.7	175.9	-105.3	0	0	0	109.5	Y415 V441 I459 L460 P481 D484 K485 W486	Y415-Y479 HydrophobicContact CD1-CE1 4.43Å; Y415-Y479 HydrophobicContact CE1-CD1 4.39Å; Y415-Y479 AromaticContact CE1-CE1 3.7Å; Y415-Y479 HydrophobicContact CE1-CE1 3.7Å; V441-Y479 WeakPolarHBondContact CB-OH 3.03Å; I459-Y479 WeakPolarHBondContact CG2-O 3.5Å; L460-Y479 HydrophobicContact CD1-CD1 3.75Å; L460-Y479 HydrophobicContact CD1-CE1 4.45Å; L460-Y479 HydrophobicContact CG-CD1 4.2Å; L460-Y479 PolarHBondContact N-O 3.3Å; L460-Y479 VanDerWaalsContact N-O 3.1Å; L460-Y479 PolarHBondContact O-N 3.47Å; Y479-P481 HydrophobicContact CD1-CG 4.03Å; Y479-P481 HydrophobicContact CE1-CB 4.1Å; Y479-P481 HydrophobicContact CE1-CG 3.94Å; Y479-P481 WeakPolarHBondContact O-CD 3.41Å; Y479-D484 VanDerWaalsContact CE2-OD1 3.29Å; Y479-D484 WeakPolarHBondContact CE2-OD1 3.02Å; Y479-D484 PolarHBondContact OH-OD1 3.34Å; Y479-K485 WeakPolarHBondContact CA-O 3.27Å; Y479-K485 WeakPolarHBondContact CD2-O 3.3Å; Y479-W486 AromaticContact CD2-CD1 3.75Å; Y479-W486 AromaticContact CD2-CD2 3.97Å; Y479-W486 HydrophobicContact CD2-CD2 3.97Å; Y479-W486 AromaticContact CD2-CE2 3.61Å; Y479-W486 HydrophobicContact CD2-CG 4.04Å; Y479-W486 HydrophobicContact CD2-CZ2 4.11Å; Y479-W486 AromaticContact CD2-NE1 3.47Å; Y479-W486 HydrophobicContact CG-CD2 4.25Å; Y479-W486 AromaticContact CG-CE2 3.88Å; Y479-W486 HydrophobicContact CG-CH2 4.36Å; Y479-W486 AromaticContact CG-CZ2 3.95Å; Y479-W486 HydrophobicContact CG-CZ2 3.95Å
480	E	95.2	Very high	91.8	Very high	57 Å²	57	55.4 Å²	55.4	27%	0.266	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	106.6	174.8	-67.1	-177	-160.3	0	0	109.2	E482 Q483 D484 K485 H487	E480-E482 VanDerWaalsContact C-N 3.27Å; E480-E482 PolarHBondContact O-N 2.89Å; E480-Q483 HydrophobicContact CB-CB 4.36Å; E480-Q483 HydrophobicContact CB-CG 4.47Å; E480-Q483 PolarHBondContact O-N 2.9Å; E480-Q483 VanDerWaalsContact O-N 3.16Å; E480-Q483 PolarHBondContact OE2-NE2 2.99Å; E480-D484 PolarHBondContact O-N 2.76Å; E480-K485 PolarHBondContact N-O 3.11Å; E480-H487 IonicContact OE1-CD2 2.81Å; E480-H487 IonicContact OE1-NE2 3.61Å
481	P	94.2	Very high	92.8	Very high	17 Å²	17	57.6 Å²	57.6	11%	0.11	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-35.6	-175.9	-29	38.2	0	0	0	114.5	Y415 D458 Y479 Q483 D484	Y415-P481 WeakPolarHBondContact OH-CB 3.35Å; D458-P481 WeakPolarHBondContact O-CD 3.34Å; D458-P481 VanDerWaalsContact O-CG 3.26Å; D458-P481 WeakPolarHBondContact O-CG 3.09Å; Y479-P481 HydrophobicContact CD1-CG 4.03Å; Y479-P481 HydrophobicContact CE1-CB 4.1Å; Y479-P481 HydrophobicContact CE1-CG 3.94Å; Y479-P481 WeakPolarHBondContact O-CD 3.41Å; P481-Q483 VanDerWaalsContact C-N 3.3Å; P481-Q483 PolarHBondContact O-N 3.41Å; P481-D484 PolarHBondContact O-N 2.88Å
482	E	92.3	Very high	93.6	Very high	176 Å²	176	54.1 Å²	54.1	82%	0.822	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-33	179.8	-66.9	-59.4	130.9	0	0	112.8	E480	E480-E482 VanDerWaalsContact C-N 3.27Å; E480-E482 PolarHBondContact O-N 2.89Å
483	Q	93.9	Very high	94	Very high	101 Å²	101	57 Å²	57	47%	0.472	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-11.7	179.4	-58.9	-163	40.3	0	0	113.3	E480 P481 K485	E480-Q483 HydrophobicContact CB-CB 4.36Å; E480-Q483 HydrophobicContact CB-CG 4.47Å; E480-Q483 PolarHBondContact O-N 2.9Å; E480-Q483 VanDerWaalsContact O-N 3.16Å; E480-Q483 PolarHBondContact OE2-NE2 2.99Å; P481-Q483 VanDerWaalsContact C-N 3.3Å; P481-Q483 PolarHBondContact O-N 3.41Å; Q483-K485 VanDerWaalsContact C-N 3.34Å; Q483-K485 HydrophobicContact CB-CB 4.31Å; Q483-K485 HydrophobicContact CB-CD 4.4Å; Q483-K485 HydrophobicContact CB-CG 4.47Å; Q483-K485 WeakPolarHBondContact O-CG 3.47Å; Q483-K485 PolarHBondContact O-N 2.78Å
484	D	95.8	Very high	94.1	Very high	60 Å²	60	57.8 Å²	57.8	32%	0.321	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	51.7	-168	-173	27.4	0	0	0	112.5	V441 S442 Y479 E480 P481	V441-D484 WeakPolarHBondContact CB-OD1 3.3Å; S442-D484 VanDerWaalsContact CB-O 3.3Å; S442-D484 WeakPolarHBondContact CB-O 3.43Å; S442-D484 WeakPolarHBondContact CB-OD1 3.1Å; S442-D484 PolarHBondContact N-OD1 2.99Å; S442-D484 PolarHBondContact OG-O 2.83Å; S442-D484 PolarHBondContact OG-OD1 3.02Å; Y479-D484 VanDerWaalsContact CE2-OD1 3.29Å; Y479-D484 WeakPolarHBondContact CE2-OD1 3.02Å; Y479-D484 PolarHBondContact OH-OD1 3.34Å; E480-D484 PolarHBondContact O-N 2.76Å; P481-D484 PolarHBondContact O-N 2.88Å
485	K	95.7	Very high	94	Very high	109 Å²	109	55 Å²	55	47%	0.474	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	144.6	-176	-76	176	-171.1	170.7	0	113.4	Y479 E480 Q483	Y479-K485 WeakPolarHBondContact CA-O 3.27Å; Y479-K485 WeakPolarHBondContact CD2-O 3.3Å; E480-K485 PolarHBondContact N-O 3.11Å; Q483-K485 VanDerWaalsContact C-N 3.34Å; Q483-K485 HydrophobicContact CB-CB 4.31Å; Q483-K485 HydrophobicContact CB-CD 4.4Å; Q483-K485 HydrophobicContact CB-CG 4.47Å; Q483-K485 WeakPolarHBondContact O-CG 3.47Å; Q483-K485 PolarHBondContact O-N 2.78Å
486	W	95.7	Very high	94	Very high	30 Å²	30	53.9 Å²	53.9	11%	0.114	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	139.5	171.2	-69.9	91.9	0	0	0	111.7	V428 S442 N443 L444 L453 V478 Y479	V428-W486 HydrophobicContact CG1-CZ2 4.49Å; V428-W486 HydrophobicContact CG2-CZ2 4Å; S442-W486 PolarHBondContact O-NE1 2.91Å; N443-W486 PolarHBondContact O-NE1 2.76Å; L444-W486 HydrophobicContact CD2-CD2 4.37Å; L444-W486 HydrophobicContact CD2-CE3 4.38Å; L444-W486 HydrophobicContact CD2-CH2 3.6Å; L444-W486 HydrophobicContact CD2-CZ2 3.56Å; L444-W486 HydrophobicContact CD2-CZ3 4.02Å; L453-W486 HydrophobicContact CD1-CH2 4.1Å; V478-W486 CarbonylContact O-C 3.53Å; V478-W486 VanDerWaalsContact O-CA 3.24Å; V478-W486 WeakPolarHBondContact O-CA 3.49Å; Y479-W486 AromaticContact CD2-CD1 3.75Å; Y479-W486 AromaticContact CD2-CD2 3.97Å; Y479-W486 HydrophobicContact CD2-CD2 3.97Å; Y479-W486 AromaticContact CD2-CE2 3.61Å; Y479-W486 HydrophobicContact CD2-CG 4.04Å; Y479-W486 HydrophobicContact CD2-CZ2 4.11Å; Y479-W486 AromaticContact CD2-NE1 3.47Å; Y479-W486 HydrophobicContact CG-CD2 4.25Å; Y479-W486 AromaticContact CG-CE2 3.88Å; Y479-W486 HydrophobicContact CG-CH2 4.36Å; Y479-W486 AromaticContact CG-CZ2 3.95Å; Y479-W486 HydrophobicContact CG-CZ2 3.95Å
487	H	94.8	Very high	93.6	Very high	71 Å²	71	55.9 Å²	55.9	33%	0.329	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	132.7	175.3	-57.5	-27.3	0	0	0	110	S477 V478 E480	S477-H487 CarbonylContact C-O 3.55Å; S477-H487 WeakPolarHBondContact CA-O 3.14Å; S477-H487 WeakPolarHBondContact CB-O 3.34Å; V478-H487 HydrophobicContact CG2-CB 3.84Å; V478-H487 PolarHBondContact N-O 2.92Å; V478-H487 PolarHBondContact O-N 3.44Å; E480-H487 IonicContact OE1-CD2 2.81Å; E480-H487 IonicContact OE1-NE2 3.61Å
488	N	94.9	Very high	93.1	Very high	107 Å²	107	56.7 Å²	56.7	57%	0.572	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	136.4	177.2	-61.7	-34.7	0	0	0	109.9	T445	T445-N488 PolarHBondContact OG1-OD1 2.83Å
489	L	94	Very high	92.7	Very high	27 Å²	27	56.6 Å²	56.6	14%	0.141	28%	0.283	C	S	.	.			trans	-105.7	179.3	173.5	-60.3	-171.4	0	0	0	110.8	Y461 V476 V478	Y461-L489 HydrophobicContact CD1-CD1 4.41Å; Y461-L489 HydrophobicContact CE1-CD1 3.89Å; V476-L489 HydrophobicContact CB-CB 4.19Å; V476-L489 HydrophobicContact CG1-CB 4.12Å; V476-L489 HydrophobicContact CG1-CD1 4.17Å; V476-L489 PolarHBondContact O-N 2.83Å; V478-L489 HydrophobicContact CG1-CD1 3.5Å; V478-L489 VanDerWaalsContact CG1-CD1 3.5Å; V478-L489 HydrophobicContact CG1-CG 4.06Å; V478-L489 HydrophobicContact CG2-CD2 4.25Å; V478-L489 HydrophobicContact CG2-CG 4.33Å
490	E	91.9	Very high	92.4	Very high	114 Å²	114	57.5 Å²	57.5	53%	0.533	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-58.8	137.2	171.8	-68	179.7	-167.3	0	0	111	V476	V476-E490 WeakPolarHBondContact CG2-O 3.39Å
491	S	93.5	Very high	92.3	Very high	78 Å²	78	54.9 Å²	54.9	55%	0.545	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-68.6	148.7	-177.2	-63	0	0	0	0	112	K474	K474-S491 CarbonylContact O-C 3.57Å; K474-S491 VanDerWaalsContact O-CA 3.22Å; K474-S491 WeakPolarHBondContact O-CA 3.47Å; K474-S491 WeakPolarHBondContact O-CB 3.48Å
492	A	93.4	Very high	92.2	Very high	4 Å²	4	54.1 Å²	54.1	3%	0.033	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-59.1	150.5	170.7	0	0	0	0	0	111.1	K474 V476 K494 L496 W539	K474-A492 WeakPolarHBondContact CD-O 3.09Å; K474-A492 PolarHBondContact O-N 2.82Å; V476-A492 HydrophobicContact CG2-CB 4.47Å; A492-K494 VanDerWaalsContact C-N 3.26Å; A492-K494 PolarHBondContact O-N 2.78Å; A492-L496 HydrophobicContact CB-CD1 3.74Å; A492-L496 HydrophobicContact CB-CG 4.26Å; A492-W539 HydrophobicContact CB-CH2 4.19Å; A492-W539 HydrophobicContact CB-CZ2 3.83Å
493	P	92.5	Very high	92.3	Very high	67 Å²	67	45.8 Å²	45.8	44%	0.435	23%	0.231	S	C	.	.	S	Bend	trans	-64.3	-33.9	-178.7	24.1	-33.7	0	0	0	112.3	K474 W539	K474-P493 PolarHBondContact NZ-O 3.41Å; P493-W539 VanDerWaalsContact CD-CG 3.45Å; P493-W539 HydrophobicContact CG-CB 4Å; P493-W539 HydrophobicContact CG-CG 4.19Å
494	K	91.6	Very high	92.4	Very high	64 Å²	64	41 Å²	41	28%	0.278	21%	0.209	S	C	.	.	S	Bend	trans	-120.5	161.3	-176.1	-62	166.7	-171.2	158	0	110	A492 L496 V528 D541	A492-K494 VanDerWaalsContact C-N 3.26Å; A492-K494 PolarHBondContact O-N 2.78Å; K494-L496 HydrophobicContact CB-CD2 4.49Å; K494-V528 HydrophobicContact CD-CG2 4.16Å; K494-D541 IonicContact NZ-OD1 2.8Å; K494-D541 PolarHBondContact NZ-OD1 3.17Å; K494-D541 IonicContact NZ-OD2 3.53Å; K494-D541 PolarHBondContact NZ-OD2 2.94Å
495	I	91.5	Very high	92.3	Very high	34 Å²	34	41.7 Å²	41.7	17%	0.174	21%	0.21	C	C	.	.			trans	-69.1	133	169.2	-72.3	172.4	0	0	0	107.9	P471 G472 K474 R497 T515 P516	P471-I495 HydrophobicContact CB-CD1 4.47Å; P471-I495 HydrophobicContact CG-CD1 4.1Å; G472-I495 VanDerWaalsContact CA-CG2 3.43Å; K474-I495 HydrophobicContact CG-CG1 3.96Å; I495-R497 HydrophobicContact CG2-CG 4.1Å; I495-T515 WeakPolarHBondContact O-CB 3.34Å; I495-T515 PolarHBondContact O-OG1 2.94Å; I495-P516 HydrophobicContact CD1-CG 4.39Å; I495-P516 HydrophobicContact CG2-CG 4.29Å
496	L	91.3	Very high	92.1	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	20%	0.204	C	C	.	.			trans	-120.7	110	-179.5	-54.2	176.7	0	0	0	109.4	I463 G465 F473 A492 K494 V499 V511 A513 V528 W539	I463-L496 HydrophobicContact CG2-CD1 3.83Å; G465-L496 PolarHBondContact N-O 3.41Å; F473-L496 PolarHBondContact O-N 2.88Å; F473-L496 VanDerWaalsContact O-N 3.14Å; A492-L496 HydrophobicContact CB-CD1 3.74Å; A492-L496 HydrophobicContact CB-CG 4.26Å; K494-L496 HydrophobicContact CB-CD2 4.49Å; L496-V499 HydrophobicContact CB-CG2 3.95Å; L496-V499 WeakPolarHBondContact O-CG2 3.24Å; L496-V511 HydrophobicContact CD1-CG1 4.38Å; L496-A513 HydrophobicContact CB-CB 3.74Å; L496-A513 HydrophobicContact CD2-CB 3.89Å; L496-A513 HydrophobicContact CG-CB 4.34Å; L496-V528 HydrophobicContact CD2-CG1 4.01Å; L496-W539 HydrophobicContact CD1-CH2 4.06Å; L496-W539 HydrophobicContact CD1-CZ3 4.14Å
497	R	86.9	Confident	92	Very high	43 Å²	43	41.2 Å²	41.2	16%	0.162	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	160	173.6	-56.2	178.9	72.9	119.5	-16.5	111.4	H466 S470 P471 I495 V499 A513 R514	H466-R497 HydrophobicContact CB-CG 4.32Å; H466-R497 PolarHBondContact CD2-NE 3.06Å; H466-R497 PolarHBondContact CD2-NH2 3.3Å; H466-R497 PolarHBondContact CE1-NH2 2.81Å; H466-R497 VanDerWaalsContact CG-NH2 3.28Å; H466-R497 PolarHBondContact ND1-NH2 2.81Å; H466-R497 PolarHBondContact NE2-NH2 2.8Å; S470-R497 PolarHBondContact O-NH1 3.19Å; P471-R497 WeakPolarHBondContact O-CD 3.39Å; P471-R497 PolarHBondContact O-NH1 3.38Å; I495-R497 HydrophobicContact CG2-CG 4.1Å; R497-V499 PolarHBondContact O-N 3.21Å; R497-A513 CarbonylContact O-C 3.56Å; R497-A513 WeakPolarHBondContact O-CA 3.3Å; R497-A513 WeakPolarHBondContact O-CB 3.34Å; R497-R514 HydrophobicContact CB-CB 4.45Å; R497-R514 PolarHBondContact N-O 2.78Å; R497-R514 PolarHBondContact O-N 3.16Å
498	D	84.1	Confident	92.1	Very high	19 Å²	19	39 Å²	39	10%	0.102	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	51.3	43.1	174.9	-50.7	-53	0	0	0	112.4	S450 K500 R514	S450-D498 WeakPolarHBondContact CB-OD1 2.91Å; S450-D498 WeakPolarHBondContact O-CA 3.36Å; S450-D498 PolarHBondContact O-N 3.08Å; S450-D498 VanDerWaalsContact O-N 3.1Å; D498-K500 PolarHBondContact O-N 3.28Å; D498-R514 IonicContact OD2-CZ 3.88Å; D498-R514 IonicContact OD2-NE 3.97Å; D498-R514 PolarHBondContact OD2-NE 2.76Å; D498-R514 IonicContact OD2-NH2 2.76Å; D498-R514 PolarHBondContact OD2-NH2 3.42Å
499	V	88.2	Confident	92.1	Very high	8 Å²	8	33.9 Å²	33.9	5%	0.048	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	130.1	-164	-178.8	0	0	0	0	110	S450 G452 L496 R497 V511 A513	S450-V499 PolarHBondContact O-N 2.61Å; S450-V499 VanDerWaalsContact O-N 3.1Å; G452-V499 VanDerWaalsContact N-CB 3.34Å; L496-V499 HydrophobicContact CB-CG2 3.95Å; L496-V499 WeakPolarHBondContact O-CG2 3.24Å; R497-V499 PolarHBondContact O-N 3.21Å; V499-V511 HydrophobicContact CG1-CG1 3.53Å; V499-A513 HydrophobicContact CG2-CB 4.11Å
500	K	89.2	Confident	92.2	Very high	20 Å²	20	32.6 Å²	32.6	9%	0.087	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.3	170.1	-59.6	-63.8	-175.1	-83.7	0	108.1	D498 V511 T512 A567 C569	D498-K500 PolarHBondContact O-N 3.28Å; K500-V511 CarbonylContact O-C 3.59Å; K500-V511 WeakPolarHBondContact O-CA 3.31Å; K500-T512 PolarHBondContact N-O 2.81Å; K500-T512 PolarHBondContact O-N 3.49Å; K500-A567 WeakPolarHBondContact CE-O 3.01Å; K500-A567 PolarHBondContact NZ-O 3.35Å; K500-C569 HydrophobicContact CD-CB 3.87Å; K500-C569 VanDerWaalsContact CE-SG 3.6Å
501	A	92.1	Very high	92.2	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.017	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	144.3	-172.7	0	0	0	0	0	111.8	V509 Y510 V511 P571	A501-V509 HydrophobicContact CB-CG1 4.13Å; A501-Y510 WeakPolarHBondContact CA-O 3.32Å; A501-V511 HydrophobicContact CB-CG2 4.46Å; A501-P571 WeakPolarHBondContact O-CA 3.33Å; A501-P571 VanDerWaalsContact O-CB 3.31Å; A501-P571 WeakPolarHBondContact O-CB 2.97Å
502	V	93.8	Very high	92.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145.7	164.7	-60.3	0	0	0	0	109	Y510 L545 P546 K572 Y574	V502-Y510 PolarHBondContact N-O 2.79Å; V502-Y510 PolarHBondContact O-N 2.85Å; V502-L545 HydrophobicContact CG2-CD2 4.15Å; V502-P546 HydrophobicContact CG2-CG 4.41Å; V502-K572 WeakPolarHBondContact CA-O 3.01Å; V502-Y574 HydrophobicContact CB-CD2 4.41Å; V502-Y574 HydrophobicContact CB-CE2 3.99Å; V502-Y574 HydrophobicContact CG1-CE2 4.15Å
503	S	94.5	Very high	92	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.007	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	145.5	175.5	50.2	0	0	0	0	111.4	Y508 K572 S573 Y574	S503-Y508 CarbonylContact C-O 3.48Å; S503-Y508 VanDerWaalsContact CA-O 3.27Å; S503-Y508 WeakPolarHBondContact CA-O 3.39Å; S503-K572 PolarHBondContact N-O 3.05Å; S503-S573 WeakPolarHBondContact O-CA 3.19Å; S503-S573 WeakPolarHBondContact OG-CA 3.38Å; S503-S573 WeakPolarHBondContact OG-CB 3.47Å; S503-S573 PolarHBondContact OG-OG 2.93Å; S503-Y574 WeakPolarHBondContact O-CD2 3.35Å; S503-Y574 PolarHBondContact O-N 2.62Å
504	V	94.9	Very high	91.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137.1	-179.6	177	0	0	0	0	108.9	D506 R507 Y508 Y510 P546 I548 Y574 V576 A581	V504-D506 PolarHBondContact O-N 2.94Å; V504-D506 VanDerWaalsContact O-N 3.09Å; V504-R507 PolarHBondContact O-N 2.87Å; V504-R507 VanDerWaalsContact O-N 3.14Å; V504-Y508 PolarHBondContact N-O 2.95Å; V504-Y508 PolarHBondContact O-N 3.17Å; V504-Y510 HydrophobicContact CB-CD2 4.34Å; V504-Y510 HydrophobicContact CB-CE2 4.06Å; V504-Y510 HydrophobicContact CG2-CD2 3.84Å; V504-Y510 HydrophobicContact CG2-CE2 3.85Å; V504-P546 HydrophobicContact CG2-CG 3.97Å; V504-I548 HydrophobicContact CG2-CD1 4.07Å; V504-Y574 CarbonylContact C-O 3.42Å; V504-Y574 WeakPolarHBondContact CA-O 3.24Å; V504-V576 WeakPolarHBondContact CG1-O 3.44Å; V504-A581 HydrophobicContact CG1-CB 3.73Å; V504-A581 HydrophobicContact CG2-CB 4.32Å
505	E	93.1	Very high	91.6	Very high	76 Å²	76	20.5 Å²	20.5	36%	0.355	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	26.5	176.2	-159.3	172.2	-170.3	0	0	113.3	R507 Y508 Y574 V576 D578	E505-R507 WeakPolarHBondContact O-CB 3.26Å; E505-R507 PolarHBondContact O-N 3.15Å; E505-Y508 HydrophobicContact CB-CD2 4.46Å; E505-Y574 PolarHBondContact N-O 3.03Å; E505-V576 PolarHBondContact N-O 3.45Å; E505-D578 VanDerWaalsContact OE2-CB 3.31Å; E505-D578 WeakPolarHBondContact OE2-CB 3.36Å; E505-D578 PolarHBondContact OE2-N 3.11Å
506	D	92	Very high	91.3	Very high	65 Å²	65	21.2 Å²	21.2	35%	0.348	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	45	37.8	-174.1	-64.7	-35.2	0	0	0	113.3	I456 K457 V504 S573	I456-D506 WeakPolarHBondContact CG2-O 3.42Å; K457-D506 WeakPolarHBondContact CE-O 3.28Å; K457-D506 HydrophobicContact CG-CB 3.77Å; V504-D506 PolarHBondContact O-N 2.94Å; V504-D506 VanDerWaalsContact O-N 3.09Å; D506-S573 PolarHBondContact OD1-OG 3.02Å; D506-S573 VanDerWaalsContact OD1-OG 3.11Å
507	R	94.2	Very high	91	Very high	64 Å²	64	23.2 Å²	23.2	24%	0.242	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-149	-42.7	-176.2	175.6	175.5	173.8	174.5	-4	113.2	V504 E505 D533 T534 E535	V504-R507 PolarHBondContact O-N 2.87Å; V504-R507 VanDerWaalsContact O-N 3.14Å; E505-R507 WeakPolarHBondContact O-CB 3.26Å; E505-R507 PolarHBondContact O-N 3.15Å; R507-D533 IonicContact CZ-OD1 3.07Å; R507-D533 IonicContact CZ-OD2 3.57Å; R507-D533 IonicContact NE-OD1 2.93Å; R507-D533 PolarHBondContact NE-OD1 3.19Å; R507-D533 IonicContact NE-OD2 2.83Å; R507-D533 IonicContact NH2-OD1 3.71Å; R507-D533 PolarHBondContact NH2-OD1 3.04Å; R507-D533 IonicContact NH2-OD2 3.44Å; R507-D533 PolarHBondContact NH2-OD2 3.28Å; R507-T534 WeakPolarHBondContact CA-OG1 3.33Å; R507-T534 WeakPolarHBondContact O-CB 3.22Å; R507-T534 WeakPolarHBondContact O-CG2 3.08Å; R507-T534 PolarHBondContact O-N 3.27Å; R507-T534 PolarHBondContact O-OG1 3.02Å; R507-E535 HydrophobicContact CG-CG 4.15Å; R507-E535 IonicContact CZ-OE2 3.35Å; R507-E535 IonicContact NE-OE2 2.79Å; R507-E535 PolarHBondContact NE-OE2 3.06Å; R507-E535 IonicContact NH1-OE2 3.19Å; R507-E535 PolarHBondContact NH1-OE2 2.9Å; R507-E535 IonicContact NH2-OE2 2.72Å
508	Y	95.9	Very high	90.2	Very high	23 Å²	23	29.9 Å²	29.9	9%	0.09	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	128.1	-174	-61.1	-74	0	0	0	110.3	S503 V504 E505 R531 Y532 D533 D578	S503-Y508 CarbonylContact C-O 3.48Å; S503-Y508 VanDerWaalsContact CA-O 3.27Å; S503-Y508 WeakPolarHBondContact CA-O 3.39Å; V504-Y508 PolarHBondContact N-O 2.95Å; V504-Y508 PolarHBondContact O-N 3.17Å; E505-Y508 HydrophobicContact CB-CD2 4.46Å; Y508-R531 HydrophobicContact CD1-CG 4.41Å; Y508-Y532 CarbonylContact C-O 3.52Å; Y508-Y532 WeakPolarHBondContact CA-O 3.26Å; Y508-D533 HydrophobicContact CD1-CB 3.87Å; Y508-D533 HydrophobicContact CE1-CB 3.73Å; Y508-D578 HydrophobicContact CD2-CB 3.51Å; Y508-D578 HydrophobicContact CE2-CB 3.36Å; Y508-D578 HydrophobicContact CG-CB 4.47Å
509	V	96.1	Very high	89.3	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	115.6	171.2	-168.4	0	0	0	0	108.8	T454 I456 I463 A501 V511 R531 Y532 T534	T454-V509 HydrophobicContact CG2-CG1 3.85Å; T454-V509 HydrophobicContact CG2-CG2 4.1Å; I456-V509 HydrophobicContact CD1-CG2 3.12Å; I456-V509 HydrophobicContact CG1-CG2 4.21Å; I463-V509 HydrophobicContact CD1-CG1 3.98Å; A501-V509 HydrophobicContact CB-CG1 4.13Å; V509-V511 HydrophobicContact CG1-CG2 3.7Å; V509-R531 CarbonylContact O-C 3.54Å; V509-R531 VanDerWaalsContact O-CA 3.3Å; V509-R531 WeakPolarHBondContact O-CA 3.34Å; V509-Y532 PolarHBondContact N-O 2.94Å; V509-Y532 PolarHBondContact O-N 2.7Å; V509-T534 HydrophobicContact CG2-CG2 4.29Å
510	Y	94.6	Very high	87.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	126.4	168.9	-70.1	-99.9	0	0	0	108.3	A501 V502 V504 R531 V542 P546 D578 I585	A501-Y510 WeakPolarHBondContact CA-O 3.32Å; V502-Y510 PolarHBondContact N-O 2.79Å; V502-Y510 PolarHBondContact O-N 2.85Å; V504-Y510 HydrophobicContact CB-CD2 4.34Å; V504-Y510 HydrophobicContact CB-CE2 4.06Å; V504-Y510 HydrophobicContact CG2-CD2 3.84Å; V504-Y510 HydrophobicContact CG2-CE2 3.85Å; Y510-R531 HydrophobicContact CD1-CB 4.03Å; Y510-R531 HydrophobicContact CD1-CG 3.99Å; Y510-R531 HydrophobicContact CD2-CG 4.05Å; Y510-R531 HydrophobicContact CE1-CB 3.97Å; Y510-R531 HydrophobicContact CE1-CG 3.79Å; Y510-R531 HydrophobicContact CE2-CG 3.84Å; Y510-R531 HydrophobicContact CG-CB 4.5Å; Y510-R531 HydrophobicContact CG-CG 4.12Å; Y510-R531 WeakPolarHBondContact OH-CD 3.49Å; Y510-V542 HydrophobicContact CD1-CG2 4.2Å; Y510-V542 HydrophobicContact CE1-CG1 4.37Å; Y510-P546 HydrophobicContact CD1-CG 4.4Å; Y510-P546 HydrophobicContact CD2-CG 4.08Å; Y510-P546 HydrophobicContact CE2-CG 4.27Å; Y510-P546 HydrophobicContact CG-CG 4.15Å; Y510-D578 PolarHBondContact OH-OD1 3.22Å; Y510-I585 HydrophobicContact CE1-CD1 3.77Å
511	V	93.4	Very high	86.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124.9	-173.8	176.4	0	0	0	0	109.2	I463 L496 V499 K500 A501 V509 A513 T529 T530	I463-V511 HydrophobicContact CD1-CG2 4.01Å; L496-V511 HydrophobicContact CD1-CG1 4.38Å; V499-V511 HydrophobicContact CG1-CG1 3.53Å; K500-V511 CarbonylContact O-C 3.59Å; K500-V511 WeakPolarHBondContact O-CA 3.31Å; A501-V511 HydrophobicContact CB-CG2 4.46Å; V509-V511 HydrophobicContact CG1-CG2 3.7Å; V511-A513 HydrophobicContact CG1-CB 4.21Å; V511-T529 CarbonylContact O-C 3.5Å; V511-T529 VanDerWaalsContact O-CA 3.27Å; V511-T529 WeakPolarHBondContact O-CA 3.28Å; V511-T529 WeakPolarHBondContact O-CG2 3.49Å; V511-T530 PolarHBondContact N-O 2.89Å; V511-T530 PolarHBondContact O-N 2.76Å
512	T	91.3	Very high	84.6	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.012	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.8	163.1	-57.9	0	0	0	0	108.7	K500 T527 V528 T529 L545 A559	K500-T512 PolarHBondContact N-O 2.81Å; K500-T512 PolarHBondContact O-N 3.49Å; T512-T527 HydrophobicContact CG2-CG2 3.59Å; T512-V528 WeakPolarHBondContact CA-O 3.49Å; T512-T529 WeakPolarHBondContact OG1-CG2 3.21Å; T512-T529 PolarHBondContact OG1-OG1 2.89Å; T512-L545 WeakPolarHBondContact OG1-CD2 3.38Å; T512-L545 VanDerWaalsContact OG1-CG 3.31Å; T512-L545 WeakPolarHBondContact OG1-CG 3.43Å; T512-A559 HydrophobicContact CG2-CB 3.57Å
513	A	90.3	Very high	83.3	Confident	3 Å²	3	57.9 Å²	57.9	3%	0.025	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	168.6	-175.9	0	0	0	0	0	110.6	L496 R497 V499 V511 T527 V528	L496-A513 HydrophobicContact CB-CB 3.74Å; L496-A513 HydrophobicContact CD2-CB 3.89Å; L496-A513 HydrophobicContact CG-CB 4.34Å; R497-A513 CarbonylContact O-C 3.56Å; R497-A513 WeakPolarHBondContact O-CA 3.3Å; R497-A513 WeakPolarHBondContact O-CB 3.34Å; V499-A513 HydrophobicContact CG2-CB 4.11Å; V511-A513 HydrophobicContact CG1-CB 4.21Å; A513-T527 WeakPolarHBondContact O-CA 3.37Å; A513-V528 PolarHBondContact N-O 2.83Å; A513-V528 PolarHBondContact O-N 3.05Å
514	R	87.4	Confident	82.4	Confident	47 Å²	47	58.9 Å²	58.9	18%	0.177	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	135.2	169.6	-61.4	-164.9	-64.9	170.4	-4.2	110.4	R497 D498 D523 L525 K526	R497-R514 HydrophobicContact CB-CB 4.45Å; R497-R514 PolarHBondContact N-O 2.78Å; R497-R514 PolarHBondContact O-N 3.16Å; D498-R514 IonicContact OD2-CZ 3.88Å; D498-R514 IonicContact OD2-NE 3.97Å; D498-R514 PolarHBondContact OD2-NE 2.76Å; D498-R514 IonicContact OD2-NH2 2.76Å; D498-R514 PolarHBondContact OD2-NH2 3.42Å; R514-D523 IonicContact NH1-OD2 3.61Å; R514-L525 HydrophobicContact CB-CB 4.38Å; R514-L525 HydrophobicContact CB-CD1 4.44Å; R514-L525 VanDerWaalsContact CZ-CD1 3.49Å; R514-K526 WeakPolarHBondContact CA-O 3.28Å
515	T	88.2	Confident	81.7	Confident	22 Å²	22	60.6 Å²	60.6	14%	0.135	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140.3	173.2	-175.3	0	0	0	0	110.1	I495 K526 V528	I495-T515 WeakPolarHBondContact O-CB 3.34Å; I495-T515 PolarHBondContact O-OG1 2.94Å; T515-K526 PolarHBondContact N-O 3.01Å; T515-K526 PolarHBondContact O-N 3.01Å; T515-V528 HydrophobicContact CG2-CB 4.24Å; T515-V528 HydrophobicContact CG2-CG1 4.12Å
516	P	86.8	Confident	81.4	Confident	49 Å²	49	63.4 Å²	63.4	32%	0.318	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	140.3	169.7	-22.2	33.6	0	0	0	112.2	P471 I495 G524 L525	P471-P516 HydrophobicContact CB-CG 4.34Å; I495-P516 HydrophobicContact CD1-CG 4.39Å; I495-P516 HydrophobicContact CG2-CG 4.29Å; P516-G524 WeakPolarHBondContact CA-O 3.33Å; P516-L525 HydrophobicContact CB-CD2 4.39Å; P516-L525 HydrophobicContact CG-CD2 4.14Å
517	V	84.3	Confident	81.1	Confident	44 Å²	44	63.1 Å²	63.1	27%	0.267	34%	0.337	S	S	.	.			trans	-137.3	141.3	174.6	-75.4	0	0	0	0	110.3	T519 G524 K526	V517-T519 VanDerWaalsContact C-N 3.3Å; V517-T519 PolarHBondContact O-N 3.47Å; V517-G524 PolarHBondContact N-O 3.34Å; V517-K526 HydrophobicContact CB-CB 4.48Å; V517-K526 HydrophobicContact CG1-CB 3.75Å; V517-K526 HydrophobicContact CG1-CD 4.37Å; V517-K526 HydrophobicContact CG2-CB 3.84Å
518	D	70.1	Confident	80.9	Confident	182 Å²	182	61 Å²	61	97%	0.973	33%	0.331	S	S	*	.			trans	-78.7	76.2	176.8	-64.1	-32.2	0	0	0	110.1
519	T	65.8	Low	80.8	Confident	77 Å²	77	60.5 Å²	60.5	47%	0.472	33%	0.33	S	S	.	.	S	Bend	trans	-135.2	147	178.2	50.7	0	0	0	0	111.4	V517 N521	V517-T519 VanDerWaalsContact C-N 3.3Å; V517-T519 PolarHBondContact O-N 3.47Å; T519-N521 PolarHBondContact O-N 2.84Å
520	D	57.3	Low	80.7	Confident	181 Å²	181	60.6 Å²	60.6	97%	0.968	33%	0.33	S	S	*	.	S	Bend	trans	-68.6	17.6	178.2	-62.4	-36.3	0	0	0	114.9
521	N	55.7	Low	80.7	Confident	117 Å²	117	61.5 Å²	61.5	63%	0.626	33%	0.334	S	S	*	.	S	Bend	trans	-73.3	153.1	173.9	-92.2	4.2	0	0	0	111.1	T519 D523 G524	T519-N521 PolarHBondContact O-N 2.84Å; N521-D523 PolarHBondContact O-N 2.83Å; N521-G524 PolarHBondContact O-N 2.96Å
522	D	56.4	Low	80.8	Confident	184 Å²	184	61.5 Å²	61.5	98%	0.984	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.8	-175.5	-93.7	-16.9	0	0	0	115.6
523	D	66.4	Low	81	Confident	79 Å²	79	62 Å²	62	42%	0.422	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-9	-178.9	80.2	-17	0	0	0	116.1	R514 N521 L525	R514-D523 IonicContact NH1-OD2 3.61Å; N521-D523 PolarHBondContact O-N 2.83Å; D523-L525 PolarHBondContact O-N 3.25Å; D523-L525 PolarHBondContact OD1-N 3.47Å
524	G	76.3	Confident	81.2	Confident	21 Å²	21	62.6 Å²	62.6	22%	0.216	34%	0.34	C	S	.	.			trans	59.9	20.9	179.6	0	0	0	0	0	115.7	P516 V517 N521	P516-G524 WeakPolarHBondContact CA-O 3.33Å; V517-G524 PolarHBondContact N-O 3.34Å; N521-G524 PolarHBondContact O-N 2.96Å
525	L	81.2	Confident	81.5	Confident	37 Å²	37	65.5 Å²	65.5	19%	0.194	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	145.8	-176.8	-65.4	174.5	0	0	0	111.8	R514 P516 D523	R514-L525 HydrophobicContact CB-CB 4.38Å; R514-L525 HydrophobicContact CB-CD1 4.44Å; R514-L525 VanDerWaalsContact CZ-CD1 3.49Å; P516-L525 HydrophobicContact CB-CD2 4.39Å; P516-L525 HydrophobicContact CG-CD2 4.14Å; D523-L525 PolarHBondContact O-N 3.25Å; D523-L525 PolarHBondContact OD1-N 3.47Å
526	K	85.6	Confident	81.7	Confident	135 Å²	135	67.2 Å²	67.2	59%	0.587	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.3	173.3	-177.4	177.3	177.3	180	0	110.8	R514 T515 V517	R514-K526 WeakPolarHBondContact CA-O 3.28Å; T515-K526 PolarHBondContact N-O 3.01Å; T515-K526 PolarHBondContact O-N 3.01Å; V517-K526 HydrophobicContact CB-CB 4.48Å; V517-K526 HydrophobicContact CG1-CB 3.75Å; V517-K526 HydrophobicContact CG1-CD 4.37Å; V517-K526 HydrophobicContact CG2-CB 3.84Å
527	T	86.6	Confident	82	Confident	59 Å²	59	70.7 Å²	70.7	36%	0.362	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	131.5	171.3	-54.4	0	0	0	0	110.6	T512 A513	T512-T527 HydrophobicContact CG2-CG2 3.59Å; A513-T527 WeakPolarHBondContact O-CA 3.37Å
528	V	90.2	Very high	82.5	Confident	19 Å²	19	74.1 Å²	74.1	12%	0.115	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141.9	175.7	67.8	0	0	0	0	109.3	K494 L496 T512 A513 T515 T530	K494-V528 HydrophobicContact CD-CG2 4.16Å; L496-V528 HydrophobicContact CD2-CG1 4.01Å; T512-V528 WeakPolarHBondContact CA-O 3.49Å; A513-V528 PolarHBondContact N-O 2.83Å; A513-V528 PolarHBondContact O-N 3.05Å; T515-V528 HydrophobicContact CG2-CB 4.24Å; T515-V528 HydrophobicContact CG2-CG1 4.12Å; V528-T530 HydrophobicContact CG2-CG2 4.12Å
529	T	92.4	Very high	83.7	Confident	12 Å²	12	67.7 Å²	67.7	7%	0.074	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.7	171.5	-47.1	0	0	0	0	109.7	V511 T512 V542 L545	V511-T529 CarbonylContact O-C 3.5Å; V511-T529 VanDerWaalsContact O-CA 3.27Å; V511-T529 WeakPolarHBondContact O-CA 3.28Å; V511-T529 WeakPolarHBondContact O-CG2 3.49Å; T512-T529 WeakPolarHBondContact OG1-CG2 3.21Å; T512-T529 PolarHBondContact OG1-OG1 2.89Å; T529-V542 WeakPolarHBondContact CB-O 3.45Å; T529-V542 HydrophobicContact CG2-CG2 3.58Å; T529-V542 PolarHBondContact O-N 3.32Å; T529-V542 VanDerWaalsContact O-N 3.1Å; T529-L545 HydrophobicContact CG2-CD2 4.04Å; T529-L545 HydrophobicContact CG2-CG 4.5Å
530	T	94.4	Very high	85.1	Confident	2 Å²	2	68.1 Å²	68.1	1%	0.012	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	146.8	-177.8	56.4	0	0	0	0	110.4	V511 V528 W539 Q540 D541	V511-T530 PolarHBondContact N-O 2.89Å; V511-T530 PolarHBondContact O-N 2.76Å; V528-T530 HydrophobicContact CG2-CG2 4.12Å; T530-W539 WeakPolarHBondContact OG1-CZ3 3.41Å; T530-Q540 CarbonylContact C-O 3.54Å; T530-Q540 WeakPolarHBondContact CA-O 3.3Å; T530-D541 WeakPolarHBondContact CG2-OD1 3.41Å
531	R	94.8	Very high	86.8	Confident	20 Å²	20	64 Å²	64	8%	0.075	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134.8	170.2	-167.8	-171.5	78.2	-125.5	-6.4	110.2	Y508 V509 Y510 W539 Q540 V542 R582	Y508-R531 HydrophobicContact CD1-CG 4.41Å; V509-R531 CarbonylContact O-C 3.54Å; V509-R531 VanDerWaalsContact O-CA 3.3Å; V509-R531 WeakPolarHBondContact O-CA 3.34Å; Y510-R531 HydrophobicContact CD1-CB 4.03Å; Y510-R531 HydrophobicContact CD1-CG 3.99Å; Y510-R531 HydrophobicContact CD2-CG 4.05Å; Y510-R531 HydrophobicContact CE1-CB 3.97Å; Y510-R531 HydrophobicContact CE1-CG 3.79Å; Y510-R531 HydrophobicContact CE2-CG 3.84Å; Y510-R531 HydrophobicContact CG-CB 4.5Å; Y510-R531 HydrophobicContact CG-CG 4.12Å; Y510-R531 WeakPolarHBondContact OH-CD 3.49Å; R531-W539 CarbonylContact O-C 3.53Å; R531-W539 WeakPolarHBondContact O-CA 3.32Å; R531-Q540 PolarHBondContact N-O 3.24Å; R531-Q540 PolarHBondContact O-N 2.81Å; R531-V542 HydrophobicContact CB-CG1 4.07Å; R531-R582 VanDerWaalsContact NH2-NH2 3.15Å
532	Y	96.1	Very high	88.6	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131	171	-178.3	-115.7	0	0	0	110.1	Y461 Y508 V509 T534 R537 W539	Y461-Y532 HydrophobicContact CD1-CE1 4.25Å; Y461-Y532 AromaticContact CE1-CE1 3.97Å; Y461-Y532 HydrophobicContact CE1-CE1 3.97Å; Y508-Y532 CarbonylContact C-O 3.52Å; Y508-Y532 WeakPolarHBondContact CA-O 3.26Å; V509-Y532 PolarHBondContact N-O 2.94Å; V509-Y532 PolarHBondContact O-N 2.7Å; Y532-T534 HydrophobicContact CD1-CG2 4.18Å; Y532-T534 HydrophobicContact CE1-CG2 4.18Å; Y532-R537 HydrophobicContact CE2-CB 4.48Å; Y532-W539 AromaticContact CD2-CD1 3.78Å; Y532-W539 AromaticContact CD2-CD2 3.68Å; Y532-W539 HydrophobicContact CD2-CD2 3.68Å; Y532-W539 AromaticContact CD2-CE2 3.29Å; Y532-W539 HydrophobicContact CD2-CE3 4.34Å; Y532-W539 AromaticContact CD2-CG 3.97Å; Y532-W539 HydrophobicContact CD2-CG 3.97Å; Y532-W539 HydrophobicContact CD2-CH2 4.32Å; Y532-W539 AromaticContact CD2-CZ2 3.64Å; Y532-W539 HydrophobicContact CD2-CZ2 3.64Å; Y532-W539 AromaticContact CD2-NE1 3.38Å; Y532-W539 AromaticContact CE2-CE2 3.86Å; Y532-W539 HydrophobicContact CE2-CZ2 4.22Å; Y532-W539 AromaticContact CE2-NE1 3.52Å; Y532-W539 HydrophobicContact CG-CD2 4.31Å; Y532-W539 AromaticContact CG-CE2 3.97Å; Y532-W539 HydrophobicContact CG-CH2 4.19Å; Y532-W539 AromaticContact CG-CZ2 3.89Å; Y532-W539 HydrophobicContact CG-CZ2 3.89Å
533	D	95.6	Very high	90.1	Very high	11 Å²	11	57 Å²	57	6%	0.059	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	117.1	171.8	178	-3.9	0	0	0	109.4	R507 Y508 E535 S536 R537 Q538	R507-D533 IonicContact CZ-OD1 3.07Å; R507-D533 IonicContact CZ-OD2 3.57Å; R507-D533 IonicContact NE-OD1 2.93Å; R507-D533 PolarHBondContact NE-OD1 3.19Å; R507-D533 IonicContact NE-OD2 2.83Å; R507-D533 IonicContact NH2-OD1 3.71Å; R507-D533 PolarHBondContact NH2-OD1 3.04Å; R507-D533 IonicContact NH2-OD2 3.44Å; R507-D533 PolarHBondContact NH2-OD2 3.28Å; Y508-D533 HydrophobicContact CD1-CB 3.87Å; Y508-D533 HydrophobicContact CE1-CB 3.73Å; D533-E535 VanDerWaalsContact C-N 3.29Å; D533-E535 PolarHBondContact O-N 2.91Å; D533-E535 PolarHBondContact OD1-N 2.89Å; D533-S536 VanDerWaalsContact CB-OG 3.3Å; D533-S536 WeakPolarHBondContact CB-OG 3.32Å; D533-S536 PolarHBondContact OD1-N 2.88Å; D533-S536 WeakPolarHBondContact OD2-CB 3.22Å; D533-S536 PolarHBondContact OD2-OG 3.14Å; D533-R537 WeakPolarHBondContact O-CA 3.23Å; D533-R537 PolarHBondContact O-N 2.79Å; D533-Q538 PolarHBondContact N-O 2.83Å
534	T	94.3	Very high	91.2	Very high	17 Å²	17	53.4 Å²	53.4	10%	0.104	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-23.5	-175.2	60.3	0	0	0	0	113.7	I456 Y461 R507 V509 Y532	I456-T534 HydrophobicContact CD1-CG2 3.3Å; I456-T534 HydrophobicContact CG2-CG2 4.4Å; Y461-T534 HydrophobicContact CE1-CG2 3.87Å; Y461-T534 HydrophobicContact CE2-CG2 4.27Å; R507-T534 WeakPolarHBondContact CA-OG1 3.33Å; R507-T534 WeakPolarHBondContact O-CB 3.22Å; R507-T534 WeakPolarHBondContact O-CG2 3.08Å; R507-T534 PolarHBondContact O-N 3.27Å; R507-T534 PolarHBondContact O-OG1 3.02Å; V509-T534 HydrophobicContact CG2-CG2 4.29Å; Y532-T534 HydrophobicContact CD1-CG2 4.18Å; Y532-T534 HydrophobicContact CE1-CG2 4.18Å
535	E	93.6	Very high	91.8	Very high	108 Å²	108	52.4 Å²	52.4	51%	0.505	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-51.4	-179.3	-68.6	-178.4	-179.1	0	0	110.8	K457 R507 D533 R537	K457-E535 IonicContact NZ-OE1 3.62Å; R507-E535 HydrophobicContact CG-CG 4.15Å; R507-E535 IonicContact CZ-OE2 3.35Å; R507-E535 IonicContact NE-OE2 2.79Å; R507-E535 PolarHBondContact NE-OE2 3.06Å; R507-E535 IonicContact NH1-OE2 3.19Å; R507-E535 PolarHBondContact NH1-OE2 2.9Å; R507-E535 IonicContact NH2-OE2 2.72Å; D533-E535 VanDerWaalsContact C-N 3.29Å; D533-E535 PolarHBondContact O-N 2.91Å; D533-E535 PolarHBondContact OD1-N 2.89Å; E535-R537 VanDerWaalsContact C-N 3.33Å
536	S	93.3	Very high	92.2	Very high	57 Å²	57	50.7 Å²	50.7	40%	0.399	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-13.5	178.4	68.1	0	0	0	0	113.7	D533 Q538	D533-S536 VanDerWaalsContact CB-OG 3.3Å; D533-S536 WeakPolarHBondContact CB-OG 3.32Å; D533-S536 PolarHBondContact OD1-N 2.88Å; D533-S536 WeakPolarHBondContact OD2-CB 3.22Å; D533-S536 PolarHBondContact OD2-OG 3.14Å; S536-Q538 PolarHBondContact O-N 3.21Å; S536-Q538 PolarHBondContact O-NE2 2.91Å
537	R	92.4	Very high	92.3	Very high	123 Å²	123	45.8 Å²	45.8	46%	0.464	23%	0.23	S	C	.	.			trans	59.2	25.7	-175.9	-56.1	-179	178.4	-172.1	-3	113.8	Y532 D533 E535	Y532-R537 HydrophobicContact CE2-CB 4.48Å; D533-R537 WeakPolarHBondContact O-CA 3.23Å; D533-R537 PolarHBondContact O-N 2.79Å; E535-R537 VanDerWaalsContact C-N 3.33Å
538	Q	93.9	Very high	92.4	Very high	115 Å²	115	44.2 Å²	44.2	54%	0.537	22%	0.219	S	C	.	.			trans	-101.1	148.2	-178.1	-63.3	-56.4	-53.4	0	0	112.3	D533 S536	D533-Q538 PolarHBondContact N-O 2.83Å; S536-Q538 PolarHBondContact O-N 3.21Å; S536-Q538 PolarHBondContact O-NE2 2.91Å
539	W	95.9	Very high	92.2	Very high	47 Å²	47	44 Å²	44	18%	0.178	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	142.3	174.8	-68.9	87.6	0	0	0	110.9	I463 V476 A492 P493 L496 T530 R531 Y532	I463-W539 HydrophobicContact CG2-CH2 3.94Å; V476-W539 HydrophobicContact CG2-CZ2 3.71Å; A492-W539 HydrophobicContact CB-CH2 4.19Å; A492-W539 HydrophobicContact CB-CZ2 3.83Å; P493-W539 VanDerWaalsContact CD-CG 3.45Å; P493-W539 HydrophobicContact CG-CB 4Å; P493-W539 HydrophobicContact CG-CG 4.19Å; L496-W539 HydrophobicContact CD1-CH2 4.06Å; L496-W539 HydrophobicContact CD1-CZ3 4.14Å; T530-W539 WeakPolarHBondContact OG1-CZ3 3.41Å; R531-W539 CarbonylContact O-C 3.53Å; R531-W539 WeakPolarHBondContact O-CA 3.32Å; Y532-W539 AromaticContact CD2-CD1 3.78Å; Y532-W539 AromaticContact CD2-CD2 3.68Å; Y532-W539 HydrophobicContact CD2-CD2 3.68Å; Y532-W539 AromaticContact CD2-CE2 3.29Å; Y532-W539 HydrophobicContact CD2-CE3 4.34Å; Y532-W539 AromaticContact CD2-CG 3.97Å; Y532-W539 HydrophobicContact CD2-CG 3.97Å; Y532-W539 HydrophobicContact CD2-CH2 4.32Å; Y532-W539 AromaticContact CD2-CZ2 3.64Å; Y532-W539 HydrophobicContact CD2-CZ2 3.64Å; Y532-W539 AromaticContact CD2-NE1 3.38Å; Y532-W539 AromaticContact CE2-CE2 3.86Å; Y532-W539 HydrophobicContact CE2-CZ2 4.22Å; Y532-W539 AromaticContact CE2-NE1 3.52Å; Y532-W539 HydrophobicContact CG-CD2 4.31Å; Y532-W539 AromaticContact CG-CE2 3.97Å; Y532-W539 HydrophobicContact CG-CH2 4.19Å; Y532-W539 AromaticContact CG-CZ2 3.89Å; Y532-W539 HydrophobicContact CG-CZ2 3.89Å
540	Q	95	Very high	91.7	Very high	87 Å²	87	45.5 Å²	45.5	41%	0.407	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	132.2	174.2	-177.4	172	26.9	0	0	110.3	T530 R531	T530-Q540 CarbonylContact C-O 3.54Å; T530-Q540 WeakPolarHBondContact CA-O 3.3Å; R531-Q540 PolarHBondContact N-O 3.24Å; R531-Q540 PolarHBondContact O-N 2.81Å
541	D	93.6	Very high	91.4	Very high	95 Å²	95	45.4 Å²	45.4	51%	0.508	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	139.1	170.9	-74.8	-26.2	0	0	0	110.3	K494 T530	K494-D541 IonicContact NZ-OD1 2.8Å; K494-D541 PolarHBondContact NZ-OD1 3.17Å; K494-D541 IonicContact NZ-OD2 3.53Å; K494-D541 PolarHBondContact NZ-OD2 2.94Å; T530-D541 WeakPolarHBondContact CG2-OD1 3.41Å
542	V	92.6	Very high	90.9	Very high	24 Å²	24	44.5 Å²	44.5	15%	0.145	22%	0.221	C	C	.	.			trans	-138.4	157.3	178.9	-65	0	0	0	0	110.5	Y510 T529 R531 I585	Y510-V542 HydrophobicContact CD1-CG2 4.2Å; Y510-V542 HydrophobicContact CE1-CG1 4.37Å; T529-V542 WeakPolarHBondContact CB-O 3.45Å; T529-V542 HydrophobicContact CG2-CG2 3.58Å; T529-V542 PolarHBondContact O-N 3.32Å; T529-V542 VanDerWaalsContact O-N 3.1Å; R531-V542 HydrophobicContact CB-CG1 4.07Å; V542-I585 HydrophobicContact CB-CD1 4.5Å
543	D	88.7	Confident	90.2	Very high	130 Å²	130	46 Å²	46	70%	0.695	23%	0.229	S	C	*	.	S	Bend	trans	-72	-41.3	-175.3	-62.9	-33.8	0	0	0	112.9	I585	D543-I585 HydrophobicContact CB-CG2 4.02Å
544	S	89.3	Confident	89.4	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.021	23%	0.227	C	C	.	.	S	Bend	trans	-155.3	169	-178.1	56.8	0	0	0	0	112.1	S586	S544-S586 WeakPolarHBondContact CB-O 3.42Å; S544-S586 PolarHBondContact OG-N 3.07Å; S544-S586 PolarHBondContact OG-O 2.78Å
545	L	89.4	Confident	88.9	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.222	C	C	.	.			trans	-64	148.7	167	-58.2	175.1	0	0	0	109.1	V502 T512 T529 L547 M556	V502-L545 HydrophobicContact CG2-CD2 4.15Å; T512-L545 WeakPolarHBondContact OG1-CD2 3.38Å; T512-L545 VanDerWaalsContact OG1-CG 3.31Å; T512-L545 WeakPolarHBondContact OG1-CG 3.43Å; T529-L545 HydrophobicContact CG2-CD2 4.04Å; T529-L545 HydrophobicContact CG2-CG 4.5Å; L545-L547 PolarHBondContact O-N 2.89Å; L545-M556 HydrophobicContact CB-CG 3.7Å; L545-M556 HydrophobicContact CB-SD 3.44Å; L545-M556 WeakPolarHBondContact CB-SD 3.41Å; L545-M556 HydrophobicContact CD1-CG 3.99Å; L545-M556 HydrophobicContact CD1-SD 3.66Å; L545-M556 HydrophobicContact CG-CG 4.04Å; L545-M556 HydrophobicContact CG-SD 3.3Å; L545-M556 WeakPolarHBondContact CG-SD 3.43Å; L545-M556 PolarHBondContact N-SD 2.82Å
546	P	89.3	Confident	88.2	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.201	C	C	.	.			trans	-65.9	118	179.8	27.7	-34.8	0	0	0	109.9	V502 V504 Y510 I548 C552 A581 I585	V502-P546 HydrophobicContact CG2-CG 4.41Å; V504-P546 HydrophobicContact CG2-CG 3.97Å; Y510-P546 HydrophobicContact CD1-CG 4.4Å; Y510-P546 HydrophobicContact CD2-CG 4.08Å; Y510-P546 HydrophobicContact CE2-CG 4.27Å; Y510-P546 HydrophobicContact CG-CG 4.15Å; P546-I548 HydrophobicContact CB-CD1 4.02Å; P546-I548 HydrophobicContact CB-CG1 4Å; P546-I548 HydrophobicContact CG-CD1 3.9Å; P546-I548 HydrophobicContact CG-CG1 4.37Å; P546-I548 WeakPolarHBondContact O-CG1 3.44Å; P546-I548 PolarHBondContact O-N 2.99Å; P546-C552 PolarHBondContact O-SG 3.34Å; P546-A581 HydrophobicContact CB-CB 3.84Å; P546-A581 WeakPolarHBondContact CB-O 3.42Å; P546-A581 HydrophobicContact CG-CB 4.35Å; P546-I585 HydrophobicContact CB-CG1 4.37Å
547	L	87.3	Confident	87.4	Confident	33 Å²	33	37.8 Å²	37.8	17%	0.173	18%	0.183	C	C	.	.			trans	-75.7	65.9	-174.5	-55.8	178.4	0	0	0	111.5	L545 I553 M556 K584	L545-L547 PolarHBondContact O-N 2.89Å; L547-I553 HydrophobicContact CB-CG1 4.17Å; L547-I553 HydrophobicContact CD2-CG1 4.1Å; L547-M556 HydrophobicContact CD2-CB 4.45Å; L547-M556 HydrophobicContact CD2-CG 3.94Å; L547-K584 WeakPolarHBondContact CB-O 3.41Å; L547-K584 PolarHBondContact N-O 3.2Å; L547-K584 VanDerWaalsContact N-O 3.1Å
548	I	87.9	Confident	86.5	Confident	26 Å²	26	31.9 Å²	31.9	13%	0.133	16%	0.161	C	C	.	.			trans	-74.8	-46.4	-169.3	-65.8	165.2	0	0	0	111.4	V504 P546 Y574 V576 A581 K584	V504-I548 HydrophobicContact CG2-CD1 4.07Å; P546-I548 HydrophobicContact CB-CD1 4.02Å; P546-I548 HydrophobicContact CB-CG1 4Å; P546-I548 HydrophobicContact CG-CD1 3.9Å; P546-I548 HydrophobicContact CG-CG1 4.37Å; P546-I548 WeakPolarHBondContact O-CG1 3.44Å; P546-I548 PolarHBondContact O-N 2.99Å; I548-Y574 HydrophobicContact CB-CD1 4.1Å; I548-Y574 HydrophobicContact CB-CE1 4Å; I548-Y574 HydrophobicContact CD1-CD1 3.96Å; I548-Y574 HydrophobicContact CD1-CD2 3.66Å; I548-Y574 HydrophobicContact CD1-CE1 4.43Å; I548-Y574 HydrophobicContact CD1-CE2 4.18Å; I548-Y574 HydrophobicContact CD1-CG 3.53Å; I548-Y574 HydrophobicContact CG2-CD1 3.58Å; I548-Y574 HydrophobicContact CG2-CE1 3.77Å; I548-Y574 HydrophobicContact CG2-CG 4.28Å; I548-V576 HydrophobicContact CG2-CG2 4.23Å; I548-A581 HydrophobicContact CD1-CB 4.48Å; I548-K584 HydrophobicContact CG1-CD 4.42Å; I548-K584 PolarHBondContact O-NZ 2.94Å
549	D	86.7	Confident	85.4	Confident	14 Å²	14	26.9 Å²	26.9	8%	0.075	14%	0.139	C	C	.	.	S	Bend	trans	-143.2	-178	-175.2	71.9	1	0	0	0	111.8	Y551 C552 I553 K572 Y574	D549-Y551 PolarHBondContact O-N 3.07Å; D549-Y551 WeakPolarHBondContact OD1-CA 3.41Å; D549-Y551 PolarHBondContact OD1-N 2.86Å; D549-C552 PolarHBondContact O-N 3.44Å; D549-C552 PolarHBondContact OD1-N 3.2Å; D549-I553 WeakPolarHBondContact O-CD1 3.31Å; D549-I553 VanDerWaalsContact O-CG1 3.27Å; D549-I553 WeakPolarHBondContact O-CG1 3.34Å; D549-I553 PolarHBondContact O-N 3.46Å; D549-K572 WeakPolarHBondContact OD2-CE 3.49Å; D549-K572 IonicContact OD2-NZ 3.57Å; D549-K572 PolarHBondContact OD2-NZ 2.8Å; D549-Y574 HydrophobicContact CB-CE1 4.48Å; D549-Y574 PolarHBondContact OD1-OH 3.13Å; D549-Y574 WeakPolarHBondContact OD2-CE1 3.23Å; D549-Y574 PolarHBondContact OD2-OH 3.18Å
550	N	82.4	Confident	84	Confident	44 Å²	44	27.9 Å²	27.9	24%	0.235	15%	0.153	C	C	.	.	H	α-helix	trans	-61.9	-32.4	178.7	-65.6	-37.7	0	0	0	112.8	F554 I593	N550-F554 WeakPolarHBondContact O-CB 3.3Å; N550-F554 PolarHBondContact O-N 3.24Å; N550-I593 HydrophobicContact CB-CD1 3.76Å
551	Y	87	Confident	82.6	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-72.4	-42.3	-178.1	-176.6	-117.5	0	0	0	111.9	D549 F554 Q555 C570 K572 I609 H611 V616	D549-Y551 PolarHBondContact O-N 3.07Å; D549-Y551 WeakPolarHBondContact OD1-CA 3.41Å; D549-Y551 PolarHBondContact OD1-N 2.86Å; Y551-F554 CarbonylContact O-C 3.57Å; Y551-F554 WeakPolarHBondContact O-CB 3.41Å; Y551-F554 PolarHBondContact O-N 3.16Å; Y551-Q555 HydrophobicContact CD1-CG 4.37Å; Y551-Q555 HydrophobicContact CE1-CG 4.03Å; Y551-Q555 HydrophobicContact CE2-CG 4.28Å; Y551-Q555 WeakPolarHBondContact O-CG 3.3Å; Y551-Q555 PolarHBondContact O-N 3.07Å; Y551-Q555 PolarHBondContact OH-NE2 2.83Å; Y551-C570 WeakPolarHBondContact CE1-O 3.15Å; Y551-C570 PolarHBondContact OH-N 2.92Å; Y551-C570 PolarHBondContact OH-O 2.64Å; Y551-K572 HydrophobicContact CD1-CB 3.92Å; Y551-K572 HydrophobicContact CD1-CD 3.78Å; Y551-K572 HydrophobicContact CD1-CG 4.48Å; Y551-K572 HydrophobicContact CE1-CB 3.89Å; Y551-K572 HydrophobicContact CE1-CD 4.47Å; Y551-I609 HydrophobicContact CE2-CG2 3.9Å; Y551-H611 HydrophobicContact CD1-CB 3.96Å; Y551-H611 AromaticContact CD1-CD2 3.64Å; Y551-H611 AromaticContact CD1-CG 3.9Å; Y551-H611 HydrophobicContact CD2-CB 3.68Å; Y551-H611 HydrophobicContact CE1-CB 4.14Å; Y551-H611 AromaticContact CE1-CD2 3.28Å; Y551-H611 WeakPolarHBondContact CE1-CD2 3.18Å; Y551-H611 AromaticContact CE1-CG 3.95Å; Y551-H611 HydrophobicContact CE2-CB 3.88Å; Y551-H611 HydrophobicContact CG-CB 3.7Å; Y551-H611 AromaticContact CZ-CD2 3.68Å; Y551-V616 HydrophobicContact CD2-CG1 4.16Å; Y551-V616 HydrophobicContact CD2-CG2 4.03Å
552	C	83.9	Confident	80.9	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65	-41.6	175.7	-160.8	0	0	0	0	111.7	P546 D549 F554 Q555 M556 Y574	P546-C552 PolarHBondContact O-SG 3.34Å; D549-C552 PolarHBondContact O-N 3.44Å; D549-C552 PolarHBondContact OD1-N 3.2Å; C552-F554 VanDerWaalsContact C-N 3.26Å; C552-F554 PolarHBondContact O-N 2.87Å; C552-Q555 PolarHBondContact O-N 3.46Å; C552-M556 WeakPolarHBondContact O-CB 3.37Å; C552-M556 PolarHBondContact O-N 2.77Å; C552-Y574 WeakPolarHBondContact CB-OH 3.06Å
553	I	81.3	Confident	78.8	Confident	33 Å²	33	28 Å²	28	17%	0.169	16%	0.156	C	C	.	.	H	α-helix	trans	-58.1	-44.4	173	-64.9	163.5	0	0	0	109.8	L547 D549 M556 A557 I593	L547-I553 HydrophobicContact CB-CG1 4.17Å; L547-I553 HydrophobicContact CD2-CG1 4.1Å; D549-I553 WeakPolarHBondContact O-CD1 3.31Å; D549-I553 VanDerWaalsContact O-CG1 3.27Å; D549-I553 WeakPolarHBondContact O-CG1 3.34Å; D549-I553 PolarHBondContact O-N 3.46Å; I553-M556 WeakPolarHBondContact O-CB 3.44Å; I553-M556 PolarHBondContact O-N 2.78Å; I553-A557 PolarHBondContact O-N 2.86Å; I553-I593 HydrophobicContact CB-CD1 4.13Å; I553-I593 HydrophobicContact CD1-CD1 4.38Å; I553-I593 HydrophobicContact CG2-CD1 3.97Å
554	F	80.5	Confident	77.4	Confident	2 Å²	2	22 Å²	22	1%	0.009	12%	0.124	C	C	.	.	H	α-helix	trans	-64.4	-44.7	177	-173.2	-104.9	0	0	0	112.5	N550 Y551 C552 M556 A557 V558 Y564 I593 L597 I609 V616 I618	N550-F554 WeakPolarHBondContact O-CB 3.3Å; N550-F554 PolarHBondContact O-N 3.24Å; Y551-F554 CarbonylContact O-C 3.57Å; Y551-F554 WeakPolarHBondContact O-CB 3.41Å; Y551-F554 PolarHBondContact O-N 3.16Å; C552-F554 VanDerWaalsContact C-N 3.26Å; C552-F554 PolarHBondContact O-N 2.87Å; F554-M556 VanDerWaalsContact C-N 3.3Å; F554-M556 PolarHBondContact O-N 3.43Å; F554-A557 WeakPolarHBondContact O-CB 3.28Å; F554-A557 PolarHBondContact O-N 2.72Å; F554-V558 HydrophobicContact CD1-CG2 3.97Å; F554-V558 HydrophobicContact CE1-CG2 3.69Å; F554-V558 HydrophobicContact CE2-CG2 4.44Å; F554-V558 HydrophobicContact CG-CG2 4.49Å; F554-V558 HydrophobicContact CZ-CG2 3.91Å; F554-V558 WeakPolarHBondContact O-CB 3.39Å; F554-V558 WeakPolarHBondContact O-CG2 3.39Å; F554-V558 PolarHBondContact O-N 2.69Å; F554-Y564 HydrophobicContact CZ-CE1 4.41Å; F554-I593 HydrophobicContact CD2-CG2 4.48Å; F554-L597 HydrophobicContact CE2-CD1 4.45Å; F554-L597 HydrophobicContact CE2-CD2 4.44Å; F554-I609 HydrophobicContact CD1-CG2 3.95Å; F554-I609 HydrophobicContact CE1-CD1 3.75Å; F554-I609 HydrophobicContact CE1-CG1 4.11Å; F554-I609 HydrophobicContact CE1-CG2 3.61Å; F554-I609 HydrophobicContact CZ-CD1 4.33Å; F554-V616 HydrophobicContact CD1-CG1 3.74Å; F554-V616 HydrophobicContact CE1-CG1 3.99Å; F554-V616 HydrophobicContact CG-CG1 4.18Å; F554-I618 HydrophobicContact CE1-CD1 4.25Å; F554-I618 HydrophobicContact CE1-CG1 4.23Å; F554-I618 HydrophobicContact CE2-CD1 4.04Å; F554-I618 HydrophobicContact CZ-CD1 3.48Å; F554-I618 VanDerWaalsContact CZ-CD1 3.48Å; F554-I618 HydrophobicContact CZ-CG1 3.94Å
555	Q	83.5	Confident	76.1	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-60.6	-38.4	175.2	-75	-165.5	-13	0	0	112.5	Y551 C552 V558 A559 C569 C570	Y551-Q555 HydrophobicContact CD1-CG 4.37Å; Y551-Q555 HydrophobicContact CE1-CG 4.03Å; Y551-Q555 HydrophobicContact CE2-CG 4.28Å; Y551-Q555 WeakPolarHBondContact O-CG 3.3Å; Y551-Q555 PolarHBondContact O-N 3.07Å; Y551-Q555 PolarHBondContact OH-NE2 2.83Å; C552-Q555 PolarHBondContact O-N 3.46Å; Q555-V558 WeakPolarHBondContact O-CB 3.37Å; Q555-V558 PolarHBondContact O-N 3.34Å; Q555-A559 WeakPolarHBondContact O-CB 3.35Å; Q555-A559 PolarHBondContact O-N 2.93Å; Q555-C569 HydrophobicContact CG-CB 4.27Å; Q555-C570 PolarHBondContact NE2-O 3.36Å
556	M	78.7	Confident	74.9	Confident	12 Å²	12	26.1 Å²	26.1	6%	0.059	15%	0.147	C	C	.	.	H	α-helix	trans	-62.4	-47.3	174.4	-85.3	-59.3	-54.6	0	0	112.1	L545 L547 C552 I553 F554 V558 A559 S560 I589	L545-M556 HydrophobicContact CB-CG 3.7Å; L545-M556 HydrophobicContact CB-SD 3.44Å; L545-M556 WeakPolarHBondContact CB-SD 3.41Å; L545-M556 HydrophobicContact CD1-CG 3.99Å; L545-M556 HydrophobicContact CD1-SD 3.66Å; L545-M556 HydrophobicContact CG-CG 4.04Å; L545-M556 HydrophobicContact CG-SD 3.3Å; L545-M556 WeakPolarHBondContact CG-SD 3.43Å; L545-M556 PolarHBondContact N-SD 2.82Å; L547-M556 HydrophobicContact CD2-CB 4.45Å; L547-M556 HydrophobicContact CD2-CG 3.94Å; C552-M556 WeakPolarHBondContact O-CB 3.37Å; C552-M556 PolarHBondContact O-N 2.77Å; I553-M556 WeakPolarHBondContact O-CB 3.44Å; I553-M556 PolarHBondContact O-N 2.78Å; F554-M556 VanDerWaalsContact C-N 3.3Å; F554-M556 PolarHBondContact O-N 3.43Å; M556-V558 VanDerWaalsContact C-N 3.28Å; M556-V558 PolarHBondContact O-N 3.28Å; M556-A559 PolarHBondContact O-N 3.32Å; M556-A559 VanDerWaalsContact O-N 3.13Å; M556-S560 PolarHBondContact O-N 3.03Å; M556-S560 VanDerWaalsContact O-N 3.11Å; M556-S560 PolarHBondContact O-OG 3.47Å; M556-I589 HydrophobicContact CE-CD1 3.77Å
557	A	76.2	Confident	74.1	Confident	4 Å²	4	26.2 Å²	26.2	3%	0.033	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-38.1	175.5	0	0	0	0	0	112.5	I553 F554 A559 S560 T561 L594	I553-A557 PolarHBondContact O-N 2.86Å; F554-A557 WeakPolarHBondContact O-CB 3.28Å; F554-A557 PolarHBondContact O-N 2.72Å; A557-A559 VanDerWaalsContact C-N 3.3Å; A557-A559 PolarHBondContact O-N 3.1Å; A557-S560 PolarHBondContact O-N 2.8Å; A557-S560 PolarHBondContact O-OG 2.79Å; A557-S560 VanDerWaalsContact O-OG 3.11Å; A557-T561 PolarHBondContact O-OG1 3.35Å; A557-L594 HydrophobicContact CB-CD1 3.65Å; A557-L594 HydrophobicContact CB-CD2 3.77Å; A557-L594 HydrophobicContact CB-CG 3.82Å
558	V	74.3	Confident	73.8	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.8	-39.2	173.8	157.1	0	0	0	0	111.1	F554 Q555 M556 S560 Y564 H565 I609	F554-V558 HydrophobicContact CD1-CG2 3.97Å; F554-V558 HydrophobicContact CE1-CG2 3.69Å; F554-V558 HydrophobicContact CE2-CG2 4.44Å; F554-V558 HydrophobicContact CG-CG2 4.49Å; F554-V558 HydrophobicContact CZ-CG2 3.91Å; F554-V558 WeakPolarHBondContact O-CB 3.39Å; F554-V558 WeakPolarHBondContact O-CG2 3.39Å; F554-V558 PolarHBondContact O-N 2.69Å; Q555-V558 WeakPolarHBondContact O-CB 3.37Å; Q555-V558 PolarHBondContact O-N 3.34Å; M556-V558 VanDerWaalsContact C-N 3.28Å; M556-V558 PolarHBondContact O-N 3.28Å; V558-S560 VanDerWaalsContact C-N 3.34Å; V558-S560 PolarHBondContact O-N 3.46Å; V558-Y564 VanDerWaalsContact CA-CB 3.46Å; V558-Y564 HydrophobicContact CB-CG 4.3Å; V558-Y564 WeakPolarHBondContact CG1-O 3.33Å; V558-Y564 HydrophobicContact CG2-CD1 4.07Å; V558-Y564 HydrophobicContact CG2-CD2 4.09Å; V558-Y564 HydrophobicContact CG2-CG 3.76Å; V558-Y564 CarbonylContact O-C 3.56Å; V558-Y564 WeakPolarHBondContact O-CB 3.43Å; V558-H565 PolarHBondContact O-ND1 3.34Å; V558-I609 HydrophobicContact CG1-CD1 4.4Å; V558-I609 HydrophobicContact CG2-CD1 3.86Å
559	A	69.5	Low	73.6	Confident	10 Å²	10	25 Å²	25	8%	0.083	15%	0.145	C	C	.	.	H	α-helix	trans	-80	-9.9	-178.8	0	0	0	0	0	114.5	T512 Q555 M556 A557 H565	T512-A559 HydrophobicContact CG2-CB 3.57Å; Q555-A559 WeakPolarHBondContact O-CB 3.35Å; Q555-A559 PolarHBondContact O-N 2.93Å; M556-A559 PolarHBondContact O-N 3.32Å; M556-A559 VanDerWaalsContact O-N 3.13Å; A557-A559 VanDerWaalsContact C-N 3.3Å; A557-A559 PolarHBondContact O-N 3.1Å; A559-H565 VanDerWaalsContact C-CE1 3.41Å; A559-H565 PolarHBondContact O-CE1 3.03Å; A559-H565 PolarHBondContact O-ND1 2.85Å
560	S	66.1	Low	73.8	Confident	67 Å²	67	24.5 Å²	24.5	47%	0.469	14%	0.142	S	C	.	.	H	α-helix	trans	-105.9	-2.4	-179.3	63.2	0	0	0	0	114.7	M556 A557 V558	M556-S560 PolarHBondContact O-N 3.03Å; M556-S560 VanDerWaalsContact O-N 3.11Å; M556-S560 PolarHBondContact O-OG 3.47Å; A557-S560 PolarHBondContact O-N 2.8Å; A557-S560 PolarHBondContact O-OG 2.79Å; A557-S560 VanDerWaalsContact O-OG 3.11Å; V558-S560 VanDerWaalsContact C-N 3.34Å; V558-S560 PolarHBondContact O-N 3.46Å
561	T	65.9	Low	74.2	Confident	46 Å²	46	23.2 Å²	23.2	28%	0.282	14%	0.136	S	C	.	.			trans	-125.2	135.2	-176.4	57	0	0	0	0	113.3	A557 F563 Y564 H565	A557-T561 PolarHBondContact O-OG1 3.35Å; T561-F563 PolarHBondContact O-N 3.18Å; T561-Y564 PolarHBondContact O-N 3.18Å; T561-Y564 VanDerWaalsContact O-N 3.08Å; T561-Y564 WeakPolarHBondContact OG1-CD2 3.44Å; T561-H565 VanDerWaalsContact C-CD2 3.49Å; T561-H565 PolarHBondContact N-CE1 2.97Å; T561-H565 PolarHBondContact O-CD2 3.36Å; T561-H565 VanDerWaalsContact O-CD2 3.24Å; T561-H565 PolarHBondContact O-CE1 3.48Å; T561-H565 PolarHBondContact O-N 2.81Å; T561-H565 PolarHBondContact O-ND1 2.93Å; T561-H565 PolarHBondContact O-NE2 3.43Å
562	N	58	Low	74.4	Confident	124 Å²	124	24.3 Å²	24.3	66%	0.663	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-33.9	175.6	-76.3	-7.8	0	0	0	113.3	Y564 H565	N562-Y564 PolarHBondContact O-N 2.8Å; N562-H565 WeakPolarHBondContact CA-CD2 3.39Å; N562-H565 PolarHBondContact N-NE2 3.24Å
563	F	49.7	Very low	74.7	Confident	40 Å²	40	27 Å²	27	18%	0.175	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-34.8	-178.4	177.9	-117	0	0	0	114.4	T561 V601 T602 S603 I604 E605	T561-F563 PolarHBondContact O-N 3.18Å; F563-V601 WeakPolarHBondContact CE1-O 2.84Å; F563-V601 WeakPolarHBondContact CZ-O 3.08Å; F563-T602 WeakPolarHBondContact CD1-O 3.21Å; F563-T602 WeakPolarHBondContact CD2-O 3.48Å; F563-T602 WeakPolarHBondContact CE1-O 3.47Å; F563-T602 VanDerWaalsContact CE2-C 3.5Å; F563-T602 VanDerWaalsContact CE2-O 3.27Å; F563-T602 WeakPolarHBondContact CE2-O 3.37Å; F563-T602 WeakPolarHBondContact CZ-O 3.02Å; F563-S603 VanDerWaalsContact CZ-CA 3.47Å; F563-I604 WeakPolarHBondContact CE2-O 3.26Å; F563-I604 HydrophobicContact CZ-CB 4.23Å; F563-I604 WeakPolarHBondContact CZ-O 3.49Å; F563-E605 HydrophobicContact CD2-CG 4.02Å; F563-E605 HydrophobicContact CE2-CG 4.05Å
564	Y	59.2	Low	75.3	Confident	4 Å²	4	26.1 Å²	26.1	2%	0.016	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-4.3	-175.3	-74.3	-63.1	0	0	0	114.3	F554 V558 T561 N562 T566 A567 V601 I609	F554-Y564 HydrophobicContact CZ-CE1 4.41Å; V558-Y564 VanDerWaalsContact CA-CB 3.46Å; V558-Y564 HydrophobicContact CB-CG 4.3Å; V558-Y564 WeakPolarHBondContact CG1-O 3.33Å; V558-Y564 HydrophobicContact CG2-CD1 4.07Å; V558-Y564 HydrophobicContact CG2-CD2 4.09Å; V558-Y564 HydrophobicContact CG2-CG 3.76Å; V558-Y564 CarbonylContact O-C 3.56Å; V558-Y564 WeakPolarHBondContact O-CB 3.43Å; T561-Y564 PolarHBondContact O-N 3.18Å; T561-Y564 VanDerWaalsContact O-N 3.08Å; T561-Y564 WeakPolarHBondContact OG1-CD2 3.44Å; N562-Y564 PolarHBondContact O-N 2.8Å; Y564-T566 PolarHBondContact O-N 3.45Å; Y564-A567 VanDerWaalsContact O-CB 3.26Å; Y564-A567 WeakPolarHBondContact O-CB 2.97Å; Y564-A567 PolarHBondContact O-N 3.21Å; Y564-V601 PolarHBondContact OH-O 3.11Å; Y564-I609 HydrophobicContact CD1-CD1 4.49Å
565	H	60.4	Low	75.8	Confident	19 Å²	19	30.8 Å²	30.8	9%	0.088	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-27.5	178.5	-68.4	-26.7	0	0	0	114	V558 A559 T561 N562	V558-H565 PolarHBondContact O-ND1 3.34Å; A559-H565 VanDerWaalsContact C-CE1 3.41Å; A559-H565 PolarHBondContact O-CE1 3.03Å; A559-H565 PolarHBondContact O-ND1 2.85Å; T561-H565 VanDerWaalsContact C-CD2 3.49Å; T561-H565 PolarHBondContact N-CE1 2.97Å; T561-H565 PolarHBondContact O-CD2 3.36Å; T561-H565 VanDerWaalsContact O-CD2 3.24Å; T561-H565 PolarHBondContact O-CE1 3.48Å; T561-H565 PolarHBondContact O-N 2.81Å; T561-H565 PolarHBondContact O-ND1 2.93Å; T561-H565 PolarHBondContact O-NE2 3.43Å; N562-H565 WeakPolarHBondContact CA-CD2 3.39Å; N562-H565 PolarHBondContact N-NE2 3.24Å
566	T	64.5	Low	76.2	Confident	70 Å²	70	32.9 Å²	32.9	43%	0.429	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-4.7	179.2	59.5	0	0	0	0	114	Y564 G606	Y564-T566 PolarHBondContact O-N 3.45Å; T566-G606 PolarHBondContact OG1-N 2.83Å; T566-G606 VanDerWaalsContact OG1-N 3.13Å
567	A	72.4	Confident	76.9	Confident	2 Å²	2	40 Å²	40	2%	0.017	23%	0.232	C	C	.	.			trans	-73.4	145.8	177	0	0	0	0	0	110.7	K500 Y564 A607 I609	K500-A567 WeakPolarHBondContact CE-O 3.01Å; K500-A567 PolarHBondContact NZ-O 3.35Å; Y564-A567 VanDerWaalsContact O-CB 3.26Å; Y564-A567 WeakPolarHBondContact O-CB 2.97Å; Y564-A567 PolarHBondContact O-N 3.21Å; A567-A607 VanDerWaalsContact CA-O 3.3Å; A567-A607 WeakPolarHBondContact CA-O 3.28Å; A567-A607 VanDerWaalsContact CB-O 3.31Å; A567-A607 WeakPolarHBondContact CB-O 3.31Å; A567-I609 HydrophobicContact CB-CD1 3.46Å; A567-I609 VanDerWaalsContact CB-CD1 3.46Å; A567-I609 HydrophobicContact CB-CG1 4.32Å
568	S	81.2	Confident	77.6	Confident	22 Å²	22	40 Å²	40	15%	0.154	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	121.2	173.2	-169.9	0	0	0	0	109.6	A607 I609 T660	S568-A607 PolarHBondContact N-O 3.28Å; S568-I609 PolarHBondContact O-N 3.05Å; S568-T660 WeakPolarHBondContact OG-CG2 3.09Å
569	C	85	Confident	78.4	Confident	12 Å²	12	46.6 Å²	46.6	8%	0.081	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.9	178.7	-55.5	0	0	0	0	109.6	K500 Q555 P571 I609	K500-C569 HydrophobicContact CD-CB 3.87Å; K500-C569 VanDerWaalsContact CE-SG 3.6Å; Q555-C569 HydrophobicContact CG-CB 4.27Å; C569-P571 WeakPolarHBondContact O-CD 3.17Å; C569-I609 WeakPolarHBondContact CA-O 3.36Å
570	C	89.7	Confident	79.4	Confident	2 Å²	2	49 Å²	49	1%	0.014	28%	0.276	C	S	.	.			trans	-63.2	127.2	167.8	-170	0	0	0	0	110.1	I407 Y551 Q555 I609 C610 A661	I407-C570 HydrophobicContact CG2-CB 4.46Å; Y551-C570 WeakPolarHBondContact CE1-O 3.15Å; Y551-C570 PolarHBondContact OH-N 2.92Å; Y551-C570 PolarHBondContact OH-O 2.64Å; Q555-C570 PolarHBondContact NE2-O 3.36Å; C570-I609 PolarHBondContact N-O 3.44Å; C570-C610 HydrophobicContact CB-CB 4.05Å; C570-A661 WeakPolarHBondContact CB-O 3.47Å
571	P	90.5	Very high	80.5	Confident	18 Å²	18	45.8 Å²	45.8	12%	0.117	25%	0.254	C	S	.	.			trans	-62.2	145.1	171.5	-30.4	43.9	0	0	0	111.7	I407 L453 A501 C569	I407-P571 WeakPolarHBondContact O-CD 3.25Å; L453-P571 VanDerWaalsContact O-CG 3.28Å; L453-P571 WeakPolarHBondContact O-CG 3.34Å; A501-P571 WeakPolarHBondContact O-CA 3.33Å; A501-P571 VanDerWaalsContact O-CB 3.31Å; A501-P571 WeakPolarHBondContact O-CB 2.97Å; C569-P571 WeakPolarHBondContact O-CD 3.17Å
572	K	91.8	Very high	81.6	Confident	23 Å²	23	48.4 Å²	48.4	10%	0.1	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	137.5	175.7	-175	165.1	-178.4	178.7	0	109.3	V502 S503 D549 Y551 Y574 H611 D613	V502-K572 WeakPolarHBondContact CA-O 3.01Å; S503-K572 PolarHBondContact N-O 3.05Å; D549-K572 WeakPolarHBondContact OD2-CE 3.49Å; D549-K572 IonicContact OD2-NZ 3.57Å; D549-K572 PolarHBondContact OD2-NZ 2.8Å; Y551-K572 HydrophobicContact CD1-CB 3.92Å; Y551-K572 HydrophobicContact CD1-CD 3.78Å; Y551-K572 HydrophobicContact CD1-CG 4.48Å; Y551-K572 HydrophobicContact CE1-CB 3.89Å; Y551-K572 HydrophobicContact CE1-CD 4.47Å; K572-Y574 HydrophobicContact CB-CE2 4.09Å; K572-Y574 HydrophobicContact CD-CE1 3.74Å; K572-Y574 HydrophobicContact CD-CE2 4.38Å; K572-Y574 WeakPolarHBondContact CD-OH 3.23Å; K572-Y574 HydrophobicContact CG-CE1 4.07Å; K572-Y574 HydrophobicContact CG-CE2 4.05Å; K572-H611 WeakPolarHBondContact CB-NE2 3.34Å; K572-H611 VanDerWaalsContact CD-CE1 3.43Å; K572-H611 WeakPolarHBondContact CD-CE1 3.49Å; K572-H611 WeakPolarHBondContact CG-NE2 3.38Å; K572-D613 PolarHBondContact NZ-O 3.24Å
573	S	91.3	Very high	83.1	Confident	57 Å²	57	50.1 Å²	50.1	40%	0.399	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	132.9	170.6	-160.5	0	0	0	0	110.9	S503 D506	S503-S573 WeakPolarHBondContact O-CA 3.19Å; S503-S573 WeakPolarHBondContact OG-CA 3.38Å; S503-S573 WeakPolarHBondContact OG-CB 3.47Å; S503-S573 PolarHBondContact OG-OG 2.93Å; D506-S573 PolarHBondContact OD1-OG 3.02Å; D506-S573 VanDerWaalsContact OD1-OG 3.11Å
574	Y	92.3	Very high	84.9	Confident	14 Å²	14	52.3 Å²	52.3	6%	0.055	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.1	179	-61.2	-83.9	0	0	0	110.7	V502 S503 V504 E505 I548 D549 C552 K572 V576	V502-Y574 HydrophobicContact CB-CD2 4.41Å; V502-Y574 HydrophobicContact CB-CE2 3.99Å; V502-Y574 HydrophobicContact CG1-CE2 4.15Å; S503-Y574 WeakPolarHBondContact O-CD2 3.35Å; S503-Y574 PolarHBondContact O-N 2.62Å; V504-Y574 CarbonylContact C-O 3.42Å; V504-Y574 WeakPolarHBondContact CA-O 3.24Å; E505-Y574 PolarHBondContact N-O 3.03Å; I548-Y574 HydrophobicContact CB-CD1 4.1Å; I548-Y574 HydrophobicContact CB-CE1 4Å; I548-Y574 HydrophobicContact CD1-CD1 3.96Å; I548-Y574 HydrophobicContact CD1-CD2 3.66Å; I548-Y574 HydrophobicContact CD1-CE1 4.43Å; I548-Y574 HydrophobicContact CD1-CE2 4.18Å; I548-Y574 HydrophobicContact CD1-CG 3.53Å; I548-Y574 HydrophobicContact CG2-CD1 3.58Å; I548-Y574 HydrophobicContact CG2-CE1 3.77Å; I548-Y574 HydrophobicContact CG2-CG 4.28Å; D549-Y574 HydrophobicContact CB-CE1 4.48Å; D549-Y574 PolarHBondContact OD1-OH 3.13Å; D549-Y574 WeakPolarHBondContact OD2-CE1 3.23Å; D549-Y574 PolarHBondContact OD2-OH 3.18Å; C552-Y574 WeakPolarHBondContact CB-OH 3.06Å; K572-Y574 HydrophobicContact CB-CE2 4.09Å; K572-Y574 HydrophobicContact CD-CE1 3.74Å; K572-Y574 HydrophobicContact CD-CE2 4.38Å; K572-Y574 WeakPolarHBondContact CD-OH 3.23Å; K572-Y574 HydrophobicContact CG-CE1 4.07Å; K572-Y574 HydrophobicContact CG-CE2 4.05Å; Y574-V576 PolarHBondContact O-N 2.82Å; Y574-V576 VanDerWaalsContact O-N 3.08Å
575	A	91.1	Very high	86.2	Confident	100 Å²	100	53.8 Å²	53.8	83%	0.826	28%	0.28	S	S	*	.			trans	-75.7	13	174.8	0	0	0	0	0	114.1
576	V	92.1	Very high	87.1	Confident	44 Å²	44	55 Å²	55	27%	0.267	29%	0.29	S	S	.	.	S	Bend	trans	-77.6	142.5	179.3	-179.2	0	0	0	0	109.3	V504 E505 I548 Y574 V580	V504-V576 WeakPolarHBondContact CG1-O 3.44Å; E505-V576 PolarHBondContact N-O 3.45Å; I548-V576 HydrophobicContact CG2-CG2 4.23Å; Y574-V576 PolarHBondContact O-N 2.82Å; Y574-V576 VanDerWaalsContact O-N 3.08Å; V576-V580 HydrophobicContact CG1-CB 3.72Å; V576-V580 HydrophobicContact CG1-CG1 3.72Å
577	R	92.9	Very high	87.4	Confident	161 Å²	161	55.9 Å²	55.9	61%	0.608	30%	0.304	S	S	*	.			trans	-63.3	142.1	175.4	-55.6	-175.9	88.5	177.9	6.1	110.9	E579 V580 A581	R577-E579 VanDerWaalsContact C-N 3.26Å; R577-E579 PolarHBondContact O-N 3Å; R577-V580 WeakPolarHBondContact O-CB 3.44Å; R577-V580 PolarHBondContact O-N 2.87Å; R577-A581 PolarHBondContact O-N 2.89Å
578	D	90.9	Very high	87.2	Confident	6 Å²	6	66.4 Å²	66.4	3%	0.032	34%	0.344	C	S	.	.	H	α-helix	trans	-57.5	-37.5	-177.5	-177.1	57.2	0	0	0	112.8	E505 Y508 Y510 V580 A581 R582	E505-D578 VanDerWaalsContact OE2-CB 3.31Å; E505-D578 WeakPolarHBondContact OE2-CB 3.36Å; E505-D578 PolarHBondContact OE2-N 3.11Å; Y508-D578 HydrophobicContact CD2-CB 3.51Å; Y508-D578 HydrophobicContact CE2-CB 3.36Å; Y508-D578 HydrophobicContact CG-CB 4.47Å; Y510-D578 PolarHBondContact OH-OD1 3.22Å; D578-V580 VanDerWaalsContact C-N 3.26Å; D578-V580 PolarHBondContact O-N 2.91Å; D578-A581 WeakPolarHBondContact O-CB 3.31Å; D578-A581 PolarHBondContact O-N 3.46Å; D578-A581 VanDerWaalsContact O-N 3.13Å; D578-R582 WeakPolarHBondContact O-CG 3.2Å; D578-R582 PolarHBondContact O-N 3.46Å; D578-R582 IonicContact OD1-NE 3.55Å; D578-R582 IonicContact OD2-CZ 2.84Å; D578-R582 IonicContact OD2-NE 3.34Å; D578-R582 PolarHBondContact OD2-NE 3.2Å; D578-R582 IonicContact OD2-NH2 2.8Å; D578-R582 PolarHBondContact OD2-NH2 3.47Å
579	E	91.3	Very high	86.4	Confident	138 Å²	138	67.8 Å²	67.8	65%	0.645	35%	0.349	S	S	*	.	H	α-helix	trans	-56.3	-41.8	176.3	-65.6	177.5	178.8	0	0	112.3	R577 Q583	R577-E579 VanDerWaalsContact C-N 3.26Å; R577-E579 PolarHBondContact O-N 3Å; E579-Q583 WeakPolarHBondContact O-CG 3.39Å; E579-Q583 PolarHBondContact O-N 2.96Å
580	V	91.2	Very high	85.3	Confident	59 Å²	59	70 Å²	70	36%	0.358	37%	0.365	S	S	.	.	H	α-helix	trans	-73.7	-38.8	178.4	178.6	0	0	0	0	110.4	V576 R577 D578 R582 Q583 K584	V576-V580 HydrophobicContact CG1-CB 3.72Å; V576-V580 HydrophobicContact CG1-CG1 3.72Å; R577-V580 WeakPolarHBondContact O-CB 3.44Å; R577-V580 PolarHBondContact O-N 2.87Å; D578-V580 VanDerWaalsContact C-N 3.26Å; D578-V580 PolarHBondContact O-N 2.91Å; V580-R582 VanDerWaalsContact C-N 3.31Å; V580-R582 PolarHBondContact O-N 3.1Å; V580-Q583 PolarHBondContact O-N 3.05Å; V580-K584 PolarHBondContact O-N 2.84Å
581	A	89.3	Confident	84	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-61	-41.6	175.6	0	0	0	0	0	111.4	V504 P546 I548 R577 D578 Q583 K584 I585	V504-A581 HydrophobicContact CG1-CB 3.73Å; V504-A581 HydrophobicContact CG2-CB 4.32Å; P546-A581 HydrophobicContact CB-CB 3.84Å; P546-A581 WeakPolarHBondContact CB-O 3.42Å; P546-A581 HydrophobicContact CG-CB 4.35Å; I548-A581 HydrophobicContact CD1-CB 4.48Å; R577-A581 PolarHBondContact O-N 2.89Å; D578-A581 WeakPolarHBondContact O-CB 3.31Å; D578-A581 PolarHBondContact O-N 3.46Å; D578-A581 VanDerWaalsContact O-N 3.13Å; A581-Q583 VanDerWaalsContact C-N 3.34Å; A581-Q583 PolarHBondContact O-N 2.97Å; A581-K584 WeakPolarHBondContact O-CB 3.45Å; A581-K584 PolarHBondContact O-N 2.93Å; A581-I585 PolarHBondContact O-N 3.32Å
582	R	90	Very high	82.8	Confident	102 Å²	102	80.6 Å²	80.6	39%	0.385	42%	0.415	S	S	.	.	H	α-helix	trans	-63.1	-35.7	176.6	-72.4	-176.6	-165.8	-153	14.7	113.5	R531 D578 V580 K584 I585	R531-R582 VanDerWaalsContact NH2-NH2 3.15Å; D578-R582 WeakPolarHBondContact O-CG 3.2Å; D578-R582 PolarHBondContact O-N 3.46Å; D578-R582 IonicContact OD1-NE 3.55Å; D578-R582 IonicContact OD2-CZ 2.84Å; D578-R582 IonicContact OD2-NE 3.34Å; D578-R582 PolarHBondContact OD2-NE 3.2Å; D578-R582 IonicContact OD2-NH2 2.8Å; D578-R582 PolarHBondContact OD2-NH2 3.47Å; V580-R582 VanDerWaalsContact C-N 3.31Å; V580-R582 PolarHBondContact O-N 3.1Å; R582-K584 PolarHBondContact O-N 3.1Å; R582-I585 HydrophobicContact CG-CD1 4.37Å; R582-I585 WeakPolarHBondContact O-CB 3.44Å; R582-I585 PolarHBondContact O-N 3.12Å; R582-I585 VanDerWaalsContact O-N 3.16Å
583	Q	88.8	Confident	81.6	Confident	160 Å²	160	80.3 Å²	80.3	75%	0.748	41%	0.414	S	S	*	.	H	α-helix	trans	-65.3	-21.7	174.9	-70.2	174.3	4.4	0	0	112.7	E579 V580 A581	E579-Q583 WeakPolarHBondContact O-CG 3.39Å; E579-Q583 PolarHBondContact O-N 2.96Å; V580-Q583 PolarHBondContact O-N 3.05Å; A581-Q583 VanDerWaalsContact C-N 3.34Å; A581-Q583 PolarHBondContact O-N 2.97Å
584	K	87.1	Confident	80.4	Confident	85 Å²	85	79.8 Å²	79.8	37%	0.37	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	5.5	177.4	-64.1	-175.1	171.4	-168.6	0	113.4	L547 I548 V580 A581 R582	L547-K584 WeakPolarHBondContact CB-O 3.41Å; L547-K584 PolarHBondContact N-O 3.2Å; L547-K584 VanDerWaalsContact N-O 3.1Å; I548-K584 HydrophobicContact CG1-CD 4.42Å; I548-K584 PolarHBondContact O-NZ 2.94Å; V580-K584 PolarHBondContact O-N 2.84Å; A581-K584 WeakPolarHBondContact O-CB 3.45Å; A581-K584 PolarHBondContact O-N 2.93Å; R582-K584 PolarHBondContact O-N 3.1Å
585	I	86.1	Confident	79.1	Confident	36 Å²	36	86.7 Å²	86.7	19%	0.185	44%	0.44	C	S	.	.			trans	-79.5	125.2	169.7	-63.1	174.6	0	0	0	107.5	Y510 V542 D543 P546 A581 R582	Y510-I585 HydrophobicContact CE1-CD1 3.77Å; V542-I585 HydrophobicContact CB-CD1 4.5Å; D543-I585 HydrophobicContact CB-CG2 4.02Å; P546-I585 HydrophobicContact CB-CG1 4.37Å; A581-I585 PolarHBondContact O-N 3.32Å; R582-I585 HydrophobicContact CG-CD1 4.37Å; R582-I585 WeakPolarHBondContact O-CB 3.44Å; R582-I585 PolarHBondContact O-N 3.12Å; R582-I585 VanDerWaalsContact O-N 3.16Å
586	S	79.9	Confident	78	Confident	44 Å²	44	84.3 Å²	84.3	31%	0.308	42%	0.417	S	S	.	.			trans	-140.6	140.5	-178.7	173.8	0	0	0	0	110	S544 R588	S544-S586 WeakPolarHBondContact CB-O 3.42Å; S544-S586 PolarHBondContact OG-N 3.07Å; S544-S586 PolarHBondContact OG-O 2.78Å; S586-R588 VanDerWaalsContact C-N 3.28Å; S586-R588 PolarHBondContact OG-N 2.78Å; S586-R588 PolarHBondContact OG-O 2.9Å
587	A	71	Confident	77.1	Confident	88 Å²	88	82.9 Å²	82.9	73%	0.727	41%	0.408	S	S	*	.	S	Bend	trans	-74.2	-20.6	169	0	0	0	0	0	112.4
588	R	67.5	Low	75.9	Confident	224 Å²	224	75.9 Å²	75.9	85%	0.845	38%	0.383	S	S	*	.	S	Bend	trans	-98.3	112.9	174.4	-69.3	-173.8	-178.6	-170.6	0.5	109.5	S586	S586-R588 VanDerWaalsContact C-N 3.28Å; S586-R588 PolarHBondContact OG-N 2.78Å; S586-R588 PolarHBondContact OG-O 2.9Å
589	I	65.8	Low	74.9	Confident	51 Å²	51	80.2 Å²	80.2	26%	0.262	41%	0.412	S	S	.	.			trans	-92.7	136.8	176.8	-55.6	170.9	0	0	0	107.5	M556	M556-I589 HydrophobicContact CE-CD1 3.77Å
590	S	61.7	Low	73.9	Confident	59 Å²	59	77.5 Å²	77.5	41%	0.413	40%	0.399	S	S	.	.			trans	-79.3	124.8	175.8	179.9	0	0	0	0	110	E592	S590-E592 PolarHBondContact O-N 3.48Å; S590-E592 WeakPolarHBondContact OG-CG 3.42Å
591	D	61.6	Low	73	Confident	89 Å²	89	74.7 Å²	74.7	48%	0.476	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-0.8	179.1	-64.9	-38	0	0	0	113.2	I593 L594 E595	D591-I593 VanDerWaalsContact C-N 3.26Å; D591-I593 PolarHBondContact O-N 2.94Å; D591-I593 VanDerWaalsContact O-N 3.1Å; D591-L594 PolarHBondContact O-N 2.8Å; D591-E595 HydrophobicContact CB-CG 4.17Å; D591-E595 PolarHBondContact O-N 3.06Å
592	E	64.8	Low	72.3	Confident	153 Å²	153	77.8 Å²	77.8	72%	0.715	40%	0.401	S	S	*	.	H	α-helix	trans	-53.2	-38.6	-173	-76.3	-177.1	-177.9	0	0	114	S590 S596	S590-E592 PolarHBondContact O-N 3.48Å; S590-E592 WeakPolarHBondContact OG-CG 3.42Å; E592-S596 WeakPolarHBondContact O-CB 3.27Å; E592-S596 PolarHBondContact O-N 3Å
593	I	66.9	Low	71.5	Confident	16 Å²	16	74.3 Å²	74.3	8%	0.082	39%	0.393	C	S	.	.	H	α-helix	trans	-75.1	-41.3	178.6	-61.5	177.4	0	0	0	110.6	N550 I553 F554 D591 S596 L597 W646	N550-I593 HydrophobicContact CB-CD1 3.76Å; I553-I593 HydrophobicContact CB-CD1 4.13Å; I553-I593 HydrophobicContact CD1-CD1 4.38Å; I553-I593 HydrophobicContact CG2-CD1 3.97Å; F554-I593 HydrophobicContact CD2-CG2 4.48Å; D591-I593 VanDerWaalsContact C-N 3.26Å; D591-I593 PolarHBondContact O-N 2.94Å; D591-I593 VanDerWaalsContact O-N 3.1Å; I593-S596 WeakPolarHBondContact O-CB 3.14Å; I593-S596 PolarHBondContact O-N 3.07Å; I593-S596 PolarHBondContact O-OG 2.82Å; I593-L597 PolarHBondContact O-N 2.81Å; I593-W646 HydrophobicContact CG2-CZ2 4.5Å
594	L	65.6	Low	71.1	Confident	47 Å²	47	67 Å²	67	25%	0.246	36%	0.358	C	S	.	.	H	α-helix	trans	-66.6	-44.6	-179.4	-75.6	178.1	0	0	0	112	A557 D591 S596 L597	A557-L594 HydrophobicContact CB-CD1 3.65Å; A557-L594 HydrophobicContact CB-CD2 3.77Å; A557-L594 HydrophobicContact CB-CG 3.82Å; D591-L594 PolarHBondContact O-N 2.8Å; L594-S596 PolarHBondContact O-N 2.79Å; L594-L597 HydrophobicContact CD2-CD1 3.62Å; L594-L597 VanDerWaalsContact O-CB 3.25Å; L594-L597 WeakPolarHBondContact O-CB 3.46Å; L594-L597 WeakPolarHBondContact O-CG 3.13Å; L594-L597 PolarHBondContact O-N 3.02Å
595	E	66.4	Low	70.8	Confident	158 Å²	158	65.1 Å²	65.1	74%	0.738	35%	0.351	S	S	*	.	H	α-helix	trans	-64.3	-23.5	176.1	-68.8	-175.6	171.7	0	0	112.3	D591 L597	D591-E595 HydrophobicContact CB-CG 4.17Å; D591-E595 PolarHBondContact O-N 3.06Å; E595-L597 VanDerWaalsContact C-N 3.31Å
596	S	67.9	Low	70.6	Confident	51 Å²	51	63.5 Å²	63.5	36%	0.357	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-9.9	175.6	84.6	0	0	0	0	114.1	E592 I593 L594 W646	E592-S596 WeakPolarHBondContact O-CB 3.27Å; E592-S596 PolarHBondContact O-N 3Å; I593-S596 WeakPolarHBondContact O-CB 3.14Å; I593-S596 PolarHBondContact O-N 3.07Å; I593-S596 PolarHBondContact O-OG 2.82Å; L594-S596 PolarHBondContact O-N 2.79Å; S596-W646 VanDerWaalsContact O-CD1 3.23Å; S596-W646 PolarHBondContact O-NE1 3.46Å; S596-W646 PolarHBondContact OG-NE1 3.49Å
597	L	72.3	Confident	71	Confident	13 Å²	13	61.4 Å²	61.4	7%	0.068	33%	0.329	C	S	.	.	S	Bend	trans	-67.5	138.1	-179.5	-71.4	168	0	0	0	110.6	F554 I593 L594 E595 V601 T602 I618 W646	F554-L597 HydrophobicContact CE2-CD1 4.45Å; F554-L597 HydrophobicContact CE2-CD2 4.44Å; I593-L597 PolarHBondContact O-N 2.81Å; L594-L597 HydrophobicContact CD2-CD1 3.62Å; L594-L597 VanDerWaalsContact O-CB 3.25Å; L594-L597 WeakPolarHBondContact O-CB 3.46Å; L594-L597 WeakPolarHBondContact O-CG 3.13Å; L594-L597 PolarHBondContact O-N 3.02Å; E595-L597 VanDerWaalsContact C-N 3.31Å; L597-V601 HydrophobicContact CD2-CB 4.41Å; L597-V601 HydrophobicContact CD2-CG1 3.9Å; L597-T602 HydrophobicContact CB-CG2 3.79Å; L597-T602 HydrophobicContact CD1-CG2 4.05Å; L597-I618 HydrophobicContact CD2-CD1 4.34Å; L597-W646 HydrophobicContact CD2-CD2 4.34Å; L597-W646 HydrophobicContact CD2-CH2 3.64Å; L597-W646 HydrophobicContact CD2-CZ2 3.18Å; L597-W646 HydrophobicContact CD2-CZ3 4.38Å; L597-W646 HydrophobicContact CG-CZ2 4.26Å
598	P	67.8	Low	71.9	Confident	14 Å²	14	57.3 Å²	57.3	9%	0.091	29%	0.294	C	S	.	.			trans	-58.1	139.6	166.2	-18.5	30.1	0	0	0	110.1	E600 V601 T602 W646 M690	P598-E600 WeakPolarHBondContact CB-OE2 3.41Å; P598-E600 PolarHBondContact O-N 3.4Å; P598-V601 HydrophobicContact CB-CG2 4.1Å; P598-V601 HydrophobicContact CG-CG2 3.98Å; P598-V601 WeakPolarHBondContact O-CB 3.21Å; P598-V601 PolarHBondContact O-N 3.35Å; P598-T602 PolarHBondContact O-N 2.91Å; P598-W646 HydrophobicContact CG-CB 4.3Å; P598-W646 HydrophobicContact CG-CG 4.46Å; P598-M690 HydrophobicContact CB-CE 4.29Å; P598-M690 HydrophobicContact CG-CE 3.64Å
599	P	69.1	Low	73	Confident	97 Å²	97	46.6 Å²	46.6	63%	0.63	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-25	176.7	-25.1	33.3	0	0	0	113.7	V601 T602	P599-V601 VanDerWaalsContact C-N 3.3Å; P599-T602 PolarHBondContact O-OG1 3.27Å
600	E	70.6	Confident	74.4	Confident	82 Å²	82	44.2 Å²	44.2	38%	0.383	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-34.3	175.3	-60.6	80.6	-177.6	0	0	111.9	P598 S603 I604	P598-E600 WeakPolarHBondContact CB-OE2 3.41Å; P598-E600 PolarHBondContact O-N 3.4Å; E600-S603 PolarHBondContact O-OG 2.89Å; E600-I604 WeakPolarHBondContact O-CG1 3.46Å
601	V	73.6	Confident	75.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-79.7	-29.5	-178.2	-178.6	0	0	0	0	111.7	F563 Y564 L597 P598 P599 S603 I618 Y637	F563-V601 WeakPolarHBondContact CE1-O 2.84Å; F563-V601 WeakPolarHBondContact CZ-O 3.08Å; Y564-V601 PolarHBondContact OH-O 3.11Å; L597-V601 HydrophobicContact CD2-CB 4.41Å; L597-V601 HydrophobicContact CD2-CG1 3.9Å; P598-V601 HydrophobicContact CB-CG2 4.1Å; P598-V601 HydrophobicContact CG-CG2 3.98Å; P598-V601 WeakPolarHBondContact O-CB 3.21Å; P598-V601 PolarHBondContact O-N 3.35Å; P599-V601 VanDerWaalsContact C-N 3.3Å; V601-S603 PolarHBondContact O-N 3.33Å; V601-I618 HydrophobicContact CG1-CD1 3.58Å; V601-I618 HydrophobicContact CG1-CG2 4.42Å; V601-Y637 HydrophobicContact CG2-CD1 3.89Å; V601-Y637 HydrophobicContact CG2-CD2 3.79Å; V601-Y637 HydrophobicContact CG2-CE1 3.86Å; V601-Y637 HydrophobicContact CG2-CE2 3.78Å; V601-Y637 HydrophobicContact CG2-CG 3.85Å
602	T	73.4	Confident	77.3	Confident	64 Å²	64	39.9 Å²	39.9	39%	0.393	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-76	3.6	179	61.1	0	0	0	0	114	F563 L597 P598 P599	F563-T602 WeakPolarHBondContact CD1-O 3.21Å; F563-T602 WeakPolarHBondContact CD2-O 3.48Å; F563-T602 WeakPolarHBondContact CE1-O 3.47Å; F563-T602 VanDerWaalsContact CE2-C 3.5Å; F563-T602 VanDerWaalsContact CE2-O 3.27Å; F563-T602 WeakPolarHBondContact CE2-O 3.37Å; F563-T602 WeakPolarHBondContact CZ-O 3.02Å; L597-T602 HydrophobicContact CB-CG2 3.79Å; L597-T602 HydrophobicContact CD1-CG2 4.05Å; P598-T602 PolarHBondContact O-N 2.91Å; P599-T602 PolarHBondContact O-OG1 3.27Å
603	S	74	Confident	78.5	Confident	30 Å²	30	38 Å²	38	21%	0.21	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-122.5	2.8	177.4	66.2	0	0	0	0	115.3	F563 E600 V601 K623	F563-S603 VanDerWaalsContact CZ-CA 3.47Å; E600-S603 PolarHBondContact O-OG 2.89Å; V601-S603 PolarHBondContact O-N 3.33Å; S603-K623 WeakPolarHBondContact OG-CD 3.36Å; S603-K623 WeakPolarHBondContact OG-CE 2.99Å
604	I	79.4	Confident	79.4	Confident	5 Å²	5	41.5 Å²	41.5	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	112.8	169.7	-53.2	177.7	0	0	0	115.1	F563 E600 A607 G620 W622 Y637	F563-I604 WeakPolarHBondContact CE2-O 3.26Å; F563-I604 HydrophobicContact CZ-CB 4.23Å; F563-I604 WeakPolarHBondContact CZ-O 3.49Å; E600-I604 WeakPolarHBondContact O-CG1 3.46Å; I604-A607 HydrophobicContact CG2-CB 3.93Å; I604-G620 WeakPolarHBondContact CG2-O 3.45Å; I604-W622 CarbonylContact C-O 3.27Å; I604-W622 VanDerWaalsContact CA-O 3.3Å; I604-W622 WeakPolarHBondContact CA-O 3.2Å; I604-Y637 HydrophobicContact CD1-CE2 3.93Å
605	E	80.9	Confident	80.6	Confident	47 Å²	47	39.9 Å²	39.9	22%	0.22	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	155.5	169.9	-59.4	176.7	173.9	0	0	111.8	F563 A607 G621 W622	F563-E605 HydrophobicContact CD2-CG 4.02Å; F563-E605 HydrophobicContact CE2-CG 4.05Å; E605-A607 VanDerWaalsContact C-N 3.27Å; E605-A607 PolarHBondContact O-N 2.61Å; E605-G621 CarbonylContact O-C 3.49Å; E605-G621 WeakPolarHBondContact O-CA 3.29Å; E605-W622 PolarHBondContact N-O 3.35Å; E605-W622 PolarHBondContact O-N 3.44Å; E605-W622 PolarHBondContact OE2-NE1 3.25Å
606	G	82.5	Confident	81.8	Confident	2 Å²	2	32.5 Å²	32.5	2%	0.021	18%	0.18	C	C	.	.	S	Bend	trans	64.1	28.6	176.6	0	0	0	0	0	114.1	T566 R658	T566-G606 PolarHBondContact OG1-N 2.83Å; T566-G606 VanDerWaalsContact OG1-N 3.13Å; G606-R658 PolarHBondContact O-N 2.83Å
607	A	88.3	Confident	83	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.			trans	-70.4	151.8	174	0	0	0	0	0	111.7	A567 S568 I604 E605 I618	A567-A607 VanDerWaalsContact CA-O 3.3Å; A567-A607 WeakPolarHBondContact CA-O 3.28Å; A567-A607 VanDerWaalsContact CB-O 3.31Å; A567-A607 WeakPolarHBondContact CB-O 3.31Å; S568-A607 PolarHBondContact N-O 3.28Å; I604-A607 HydrophobicContact CG2-CB 3.93Å; E605-A607 VanDerWaalsContact C-N 3.27Å; E605-A607 PolarHBondContact O-N 2.61Å; A607-I618 HydrophobicContact CB-CG2 3.85Å
608	A	90.7	Very high	83.9	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.008	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	126.7	166.2	0	0	0	0	0	109.1	I619 A659 A661	A608-I619 HydrophobicContact CB-CB 4.39Å; A608-I619 PolarHBondContact N-O 2.85Å; A608-I619 PolarHBondContact O-N 3.49Å; A608-A659 HydrophobicContact CB-CB 4.21Å; A608-A659 WeakPolarHBondContact CB-O 3.38Å; A608-A661 HydrophobicContact CB-CB 3.77Å
609	I	90.5	Very high	85	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.3	-174.6	-63	164	0	0	0	109.3	Y551 F554 V558 Y564 A567 S568 C569 C570 F617	Y551-I609 HydrophobicContact CE2-CG2 3.9Å; F554-I609 HydrophobicContact CD1-CG2 3.95Å; F554-I609 HydrophobicContact CE1-CD1 3.75Å; F554-I609 HydrophobicContact CE1-CG1 4.11Å; F554-I609 HydrophobicContact CE1-CG2 3.61Å; F554-I609 HydrophobicContact CZ-CD1 4.33Å; V558-I609 HydrophobicContact CG1-CD1 4.4Å; V558-I609 HydrophobicContact CG2-CD1 3.86Å; Y564-I609 HydrophobicContact CD1-CD1 4.49Å; A567-I609 HydrophobicContact CB-CD1 3.46Å; A567-I609 VanDerWaalsContact CB-CD1 3.46Å; A567-I609 HydrophobicContact CB-CG1 4.32Å; S568-I609 PolarHBondContact O-N 3.05Å; C569-I609 WeakPolarHBondContact CA-O 3.36Å; C570-I609 PolarHBondContact N-O 3.44Å; I609-F617 WeakPolarHBondContact CA-O 3.3Å
610	C	93.8	Very high	86	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	179.4	172.9	72.6	0	0	0	0	111.3	I366 C570 F617 A661	I366-C610 WeakPolarHBondContact CG2-SG 3.12Å; C570-C610 HydrophobicContact CB-CB 4.05Å; C610-F617 PolarHBondContact N-O 3.38Å; C610-F617 PolarHBondContact O-N 3.11Å; C610-A661 HydrophobicContact CB-CB 3.98Å; C610-A661 WeakPolarHBondContact CB-O 3.47Å
611	H	93	Very high	86.8	Confident	29 Å²	29	20.6 Å²	20.6	13%	0.134	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	158.9	177.8	70.4	90	0	0	0	111.2	Y551 K572 D615	Y551-H611 HydrophobicContact CD1-CB 3.96Å; Y551-H611 AromaticContact CD1-CD2 3.64Å; Y551-H611 AromaticContact CD1-CG 3.9Å; Y551-H611 HydrophobicContact CD2-CB 3.68Å; Y551-H611 HydrophobicContact CE1-CB 4.14Å; Y551-H611 AromaticContact CE1-CD2 3.28Å; Y551-H611 WeakPolarHBondContact CE1-CD2 3.18Å; Y551-H611 AromaticContact CE1-CG 3.95Å; Y551-H611 HydrophobicContact CE2-CB 3.88Å; Y551-H611 HydrophobicContact CG-CB 3.7Å; Y551-H611 AromaticContact CZ-CD2 3.68Å; K572-H611 WeakPolarHBondContact CB-NE2 3.34Å; K572-H611 VanDerWaalsContact CD-CE1 3.43Å; K572-H611 WeakPolarHBondContact CD-CE1 3.49Å; K572-H611 WeakPolarHBondContact CG-NE2 3.38Å; H611-D615 VanDerWaalsContact CA-O 3.23Å; H611-D615 WeakPolarHBondContact CA-O 3.13Å
612	F	92.7	Very high	87.2	Confident	28 Å²	28	21.9 Å²	21.9	12%	0.123	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	122.9	163	168.2	-110.5	0	0	0	107.2	D364 I366 I387 E614 D615 F617 H663	D364-F612 HydrophobicContact CB-CE2 3.93Å; D364-F612 HydrophobicContact CB-CZ 3.98Å; D364-F612 VanDerWaalsContact CG-CE2 3.45Å; D364-F612 WeakPolarHBondContact OD1-CE2 3.16Å; I366-F612 HydrophobicContact CD1-CB 4.01Å; I387-F612 HydrophobicContact CD1-CB 4.47Å; I387-F612 HydrophobicContact CD1-CD1 3.73Å; I387-F612 HydrophobicContact CD1-CE1 4.06Å; I387-F612 HydrophobicContact CD1-CG 4.02Å; F612-E614 PolarHBondContact O-N 3.24Å; F612-E614 VanDerWaalsContact O-N 3.14Å; F612-D615 PolarHBondContact N-O 3.4Å; F612-D615 WeakPolarHBondContact O-CB 3.42Å; F612-D615 PolarHBondContact O-N 2.64Å; F612-F617 HydrophobicContact CB-CE2 3.89Å; F612-H663 AromaticContact CD2-CD2 3.43Å; F612-H663 VanDerWaalsContact CD2-CD2 3.43Å; F612-H663 WeakPolarHBondContact CD2-CD2 3.2Å; F612-H663 AromaticContact CD2-CE1 3.84Å; F612-H663 AromaticContact CD2-CG 3.93Å; F612-H663 AromaticContact CD2-NE2 3.37Å; F612-H663 WeakPolarHBondContact CD2-NE2 3.31Å; F612-H663 AromaticContact CE2-CD2 4Å; F612-H663 AromaticContact CE2-CE1 3.99Å; F612-H663 AromaticContact CE2-NE2 3.48Å; F612-H663 WeakPolarHBondContact CE2-NE2 3.38Å
613	D	88.6	Confident	87.4	Confident	114 Å²	114	22.6 Å²	22.6	61%	0.61	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	-115.4	-164.9	-62.2	-30	0	0	0	111.5	K572	K572-D613 PolarHBondContact NZ-O 3.24Å
614	E	86.6	Confident	87	Confident	90 Å²	90	25.9 Å²	25.9	42%	0.421	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-3.5	178.1	-67.9	-62.5	143.6	0	0	113.1	F612 A641	F612-E614 PolarHBondContact O-N 3.24Å; F612-E614 VanDerWaalsContact O-N 3.14Å; E614-A641 HydrophobicContact CB-CB 3.53Å; E614-A641 WeakPolarHBondContact O-CB 3.45Å
615	D	90.8	Very high	85.9	Confident	13 Å²	13	27.9 Å²	27.9	7%	0.07	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	143.9	-176.9	-72.3	0.8	0	0	0	111.2	H611 F612 F617 R638 Y639 C640 A641	H611-D615 VanDerWaalsContact CA-O 3.23Å; H611-D615 WeakPolarHBondContact CA-O 3.13Å; F612-D615 PolarHBondContact N-O 3.4Å; F612-D615 WeakPolarHBondContact O-CB 3.42Å; F612-D615 PolarHBondContact O-N 2.64Å; D615-F617 HydrophobicContact CB-CE2 3.95Å; D615-R638 HydrophobicContact CB-CG 4.42Å; D615-R638 IonicContact OD2-CZ 2.64Å; D615-R638 IonicContact OD2-NE 2.67Å; D615-R638 PolarHBondContact OD2-NE 2.91Å; D615-R638 IonicContact OD2-NH2 3.89Å; D615-R638 PolarHBondContact OD2-NH2 3.38Å; D615-Y639 WeakPolarHBondContact CA-O 3.42Å; D615-Y639 VanDerWaalsContact CB-O 3.23Å; D615-Y639 WeakPolarHBondContact CB-O 3.48Å; D615-Y639 VanDerWaalsContact CG-O 3.29Å; D615-C640 WeakPolarHBondContact OD1-CA 3.37Å; D615-A641 PolarHBondContact OD1-N 2.99Å
616	V	91.5	Very high	84.7	Confident	3 Å²	3	34.4 Å²	34.4	2%	0.018	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.9	-179.8	-175.6	0	0	0	0	109.6	Y551 F554 R638 Y639	Y551-V616 HydrophobicContact CD2-CG1 4.16Å; Y551-V616 HydrophobicContact CD2-CG2 4.03Å; F554-V616 HydrophobicContact CD1-CG1 3.74Å; F554-V616 HydrophobicContact CE1-CG1 3.99Å; F554-V616 HydrophobicContact CG-CG1 4.18Å; V616-R638 CarbonylContact O-C 3.6Å; V616-R638 VanDerWaalsContact O-CA 3.32Å; V616-R638 WeakPolarHBondContact O-CA 3.47Å; V616-Y639 PolarHBondContact N-O 3.24Å; V616-Y639 PolarHBondContact O-N 3.27Å
617	F	92.3	Very high	83.3	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.2	178.9	-66.8	-104.1	0	0	0	110	I366 Y385 I387 I609 C610 F612 D615 I619 Y637 R638 L649	I366-F617 HydrophobicContact CD1-CD2 4.23Å; I366-F617 HydrophobicContact CD1-CE2 4.21Å; I366-F617 HydrophobicContact CD1-CZ 4.41Å; I366-F617 HydrophobicContact CG1-CD1 3.99Å; I366-F617 HydrophobicContact CG1-CD2 4.33Å; I366-F617 HydrophobicContact CG1-CE1 3.95Å; I366-F617 HydrophobicContact CG1-CE2 4.34Å; I366-F617 HydrophobicContact CG1-CG 4.18Å; I366-F617 HydrophobicContact CG1-CZ 4.13Å; Y385-F617 HydrophobicContact CD1-CE1 4.32Å; Y385-F617 HydrophobicContact CE1-CE1 4.49Å; I387-F617 HydrophobicContact CD1-CZ 4.38Å; I609-F617 WeakPolarHBondContact CA-O 3.3Å; C610-F617 PolarHBondContact N-O 3.38Å; C610-F617 PolarHBondContact O-N 3.11Å; F612-F617 HydrophobicContact CB-CE2 3.89Å; D615-F617 HydrophobicContact CB-CE2 3.95Å; F617-I619 HydrophobicContact CB-CD1 4.3Å; F617-I619 HydrophobicContact CB-CG1 4.47Å; F617-Y637 WeakPolarHBondContact CA-O 3.43Å; F617-R638 HydrophobicContact CD1-CB 4.19Å; F617-R638 HydrophobicContact CD1-CG 4.39Å; F617-R638 HydrophobicContact CE1-CB 4.03Å; F617-R638 HydrophobicContact CE1-CG 3.9Å; F617-R638 HydrophobicContact CE2-CG 4.29Å; F617-R638 HydrophobicContact CZ-CB 4.48Å; F617-R638 HydrophobicContact CZ-CG 3.84Å; F617-L649 HydrophobicContact CD1-CD1 3.9Å; F617-L649 HydrophobicContact CE1-CD1 4.03Å
618	I	91	Very high	81.8	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	118.2	176.4	-55.7	172.3	0	0	0	107.3	F554 L597 V601 A607 A636 Y637 W646	F554-I618 HydrophobicContact CE1-CD1 4.25Å; F554-I618 HydrophobicContact CE1-CG1 4.23Å; F554-I618 HydrophobicContact CE2-CD1 4.04Å; F554-I618 HydrophobicContact CZ-CD1 3.48Å; F554-I618 VanDerWaalsContact CZ-CD1 3.48Å; F554-I618 HydrophobicContact CZ-CG1 3.94Å; L597-I618 HydrophobicContact CD2-CD1 4.34Å; V601-I618 HydrophobicContact CG1-CD1 3.58Å; V601-I618 HydrophobicContact CG1-CG2 4.42Å; A607-I618 HydrophobicContact CB-CG2 3.85Å; I618-A636 CarbonylContact O-C 3.54Å; I618-A636 WeakPolarHBondContact O-CA 3.47Å; I618-Y637 PolarHBondContact N-O 3.33Å; I618-Y637 PolarHBondContact O-N 2.99Å; I618-W646 HydrophobicContact CD1-CH2 3.59Å; I618-W646 HydrophobicContact CD1-CZ3 3.63Å; I618-W646 HydrophobicContact CG1-CH2 4.38Å; I618-W646 HydrophobicContact CG1-CZ3 4.19Å
619	I	91.5	Very high	80.4	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	124.4	-166.1	-59.2	166.9	0	0	0	110.3	I366 V368 W392 A608 F617 A636 M652 A661	I366-I619 HydrophobicContact CG2-CD1 3.65Å; V368-I619 HydrophobicContact CG2-CD1 3.75Å; V368-I619 HydrophobicContact CG2-CG2 3.96Å; W392-I619 HydrophobicContact CH2-CD1 4.2Å; W392-I619 HydrophobicContact CH2-CG2 3.92Å; W392-I619 HydrophobicContact CZ2-CG2 4.42Å; A608-I619 HydrophobicContact CB-CB 4.39Å; A608-I619 PolarHBondContact N-O 2.85Å; A608-I619 PolarHBondContact O-N 3.49Å; F617-I619 HydrophobicContact CB-CD1 4.3Å; F617-I619 HydrophobicContact CB-CG1 4.47Å; I619-A636 HydrophobicContact CG1-CB 4.19Å; I619-A636 HydrophobicContact CG2-CB 4.42Å; I619-M652 HydrophobicContact CG2-CE 3.71Å; I619-M652 HydrophobicContact CG2-CG 4.01Å; I619-M652 HydrophobicContact CG2-SD 3.18Å; I619-M652 WeakPolarHBondContact CG2-SD 3.34Å; I619-A661 HydrophobicContact CD1-CB 4.17Å
620	G	89.6	Confident	79.4	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.01	31%	0.305	C	S	.	.			trans	69	-148.1	174	0	0	0	0	0	113.6	I604 E635	I604-G620 WeakPolarHBondContact CG2-O 3.45Å; G620-E635 PolarHBondContact N-O 3.45Å
621	G	87.6	Confident	78.6	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.326	C	S	.	.			trans	101.2	-175.5	-175.3	0	0	0	0	0	112.9	E605 R633 R656	E605-G621 CarbonylContact O-C 3.49Å; E605-G621 WeakPolarHBondContact O-CA 3.29Å; G621-R633 WeakPolarHBondContact O-CB 3.43Å; G621-R633 PolarHBondContact O-N 2.88Å; G621-R656 PolarHBondContact N-O 3.49Å
622	W	82.1	Confident	78.1	Confident	27 Å²	27	63 Å²	63	10%	0.102	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	165.1	173.3	66.4	34.4	0	0	0	111	I604 E605 K630 Q631 Y632 C657	I604-W622 CarbonylContact C-O 3.27Å; I604-W622 VanDerWaalsContact CA-O 3.3Å; I604-W622 WeakPolarHBondContact CA-O 3.2Å; E605-W622 PolarHBondContact N-O 3.35Å; E605-W622 PolarHBondContact O-N 3.44Å; E605-W622 PolarHBondContact OE2-NE1 3.25Å; W622-K630 HydrophobicContact CD2-CD 4.16Å; W622-K630 HydrophobicContact CE3-CB 4.38Å; W622-K630 HydrophobicContact CE3-CD 3.66Å; W622-K630 HydrophobicContact CE3-CG 4.47Å; W622-K630 HydrophobicContact CH2-CD 3.87Å; W622-K630 HydrophobicContact CZ2-CD 4.32Å; W622-K630 HydrophobicContact CZ3-CD 3.5Å; W622-Q631 CarbonylContact C-O 3.49Å; W622-Q631 VanDerWaalsContact CA-O 3.28Å; W622-Q631 WeakPolarHBondContact CA-O 3.34Å; W622-Y632 HydrophobicContact CE3-CE1 4.17Å; W622-Y632 HydrophobicContact CE3-CE2 4.23Å; W622-Y632 AromaticContact CE3-CZ 3.81Å; W622-C657 HydrophobicContact CE3-CB 4.3Å
623	K	77.2	Confident	77.5	Confident	79 Å²	79	64.5 Å²	64.5	34%	0.343	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.1	168.1	-179.6	174.5	-179.6	174.1	0	109.4	S603 S625 Q631	S603-K623 WeakPolarHBondContact OG-CD 3.36Å; S603-K623 WeakPolarHBondContact OG-CE 2.99Å; K623-S625 PolarHBondContact O-N 3.39Å; K623-Q631 PolarHBondContact N-O 3.2Å; K623-Q631 PolarHBondContact O-N 2.98Å
624	N	66	Low	77.3	Confident	100 Å²	100	63.1 Å²	63.1	54%	0.535	32%	0.319	S	S	.	.			trans	-67.8	112.9	164.2	-102.3	-12.9	0	0	0	108
625	S	57.7	Low	77.3	Confident	47 Å²	47	59.7 Å²	59.7	33%	0.329	30%	0.303	S	S	.	.			trans	-92.6	151.3	166.3	111.1	0	0	0	0	107.6	K623 D627	K623-S625 PolarHBondContact O-N 3.39Å; S625-D627 CarbonylContact C-O 3.35Å; S625-D627 PolarHBondContact O-N 3.35Å; S625-D627 WeakPolarHBondContact OG-CA 3.2Å; S625-D627 VanDerWaalsContact OG-CB 3.32Å; S625-D627 WeakPolarHBondContact OG-CB 3.47Å; S625-D627 PolarHBondContact OG-N 3.27Å; S625-D627 PolarHBondContact OG-O 3.01Å
626	D	55.5	Low	77.2	Confident	183 Å²	183	59 Å²	59	98%	0.979	30%	0.3	S	S	*	.	S	Bend	trans	-63.9	-16.2	173.9	-62.6	-44.6	0	0	0	111.9
627	D	52.2	Low	77.1	Confident	126 Å²	126	59.1 Å²	59.1	67%	0.674	30%	0.3	S	S	*	.	S	Bend	trans	-82.2	144	166.3	-94.9	-32.7	0	0	0	110.9	S625 D629	S625-D627 CarbonylContact C-O 3.35Å; S625-D627 PolarHBondContact O-N 3.35Å; S625-D627 WeakPolarHBondContact OG-CA 3.2Å; S625-D627 VanDerWaalsContact OG-CB 3.32Å; S625-D627 WeakPolarHBondContact OG-CB 3.47Å; S625-D627 PolarHBondContact OG-N 3.27Å; S625-D627 PolarHBondContact OG-O 3.01Å; D627-D629 PolarHBondContact O-N 2.8Å
628	V	57	Low	77	Confident	145 Å²	145	61.3 Å²	61.3	88%	0.879	31%	0.308	S	S	*	.	S	Bend	trans	-53.7	-13.9	-173.9	-173.9	0	0	0	0	114.4
629	D	60.8	Low	76.9	Confident	132 Å²	132	62.4 Å²	62.4	71%	0.706	31%	0.312	S	S	*	.	S	Bend	trans	-90.2	119.7	-178.2	-66.8	-28.8	0	0	0	112.9	D627 Q631	D627-D629 PolarHBondContact O-N 2.8Å; D629-Q631 PolarHBondContact O-N 3.41Å
630	K	70.6	Confident	76.7	Confident	105 Å²	105	62.4 Å²	62.4	46%	0.457	31%	0.313	S	S	.	.			trans	-69	119.8	172.9	-67.4	177	176.4	179.8	0	109.9	W622 Y632	W622-K630 HydrophobicContact CD2-CD 4.16Å; W622-K630 HydrophobicContact CE3-CB 4.38Å; W622-K630 HydrophobicContact CE3-CD 3.66Å; W622-K630 HydrophobicContact CE3-CG 4.47Å; W622-K630 HydrophobicContact CH2-CD 3.87Å; W622-K630 HydrophobicContact CZ2-CD 4.32Å; W622-K630 HydrophobicContact CZ3-CD 3.5Å; K630-Y632 HydrophobicContact CB-CD2 4.44Å; K630-Y632 HydrophobicContact CB-CE2 4.01Å; K630-Y632 WeakPolarHBondContact O-CD2 3.4Å; K630-Y632 PolarHBondContact O-N 3.2Å
631	Q	77.1	Confident	76.4	Confident	94 Å²	94	63.1 Å²	63.1	44%	0.439	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	105	179.7	-167.6	176.5	34.8	0	0	111.2	W622 K623 D629	W622-Q631 CarbonylContact C-O 3.49Å; W622-Q631 VanDerWaalsContact CA-O 3.28Å; W622-Q631 WeakPolarHBondContact CA-O 3.34Å; K623-Q631 PolarHBondContact N-O 3.2Å; K623-Q631 PolarHBondContact O-N 2.98Å; D629-Q631 PolarHBondContact O-N 3.41Å
632	Y	82.6	Confident	76	Confident	30 Å²	30	71.6 Å²	71.6	12%	0.118	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	143.3	177.5	-70.9	-111.7	0	0	0	111.7	V372 S373 E374 W622 K630 C657	V372-Y632 WeakPolarHBondContact O-CE1 3.4Å; S373-Y632 WeakPolarHBondContact O-CE1 3.38Å; S373-Y632 VanDerWaalsContact O-CZ 3.3Å; S373-Y632 PolarHBondContact O-OH 2.86Å; E374-Y632 HydrophobicContact CB-CD2 4.1Å; E374-Y632 HydrophobicContact CB-CG 4.07Å; E374-Y632 HydrophobicContact CG-CD2 4.08Å; E374-Y632 HydrophobicContact CG-CG 4.42Å; W622-Y632 HydrophobicContact CE3-CE1 4.17Å; W622-Y632 HydrophobicContact CE3-CE2 4.23Å; W622-Y632 AromaticContact CE3-CZ 3.81Å; K630-Y632 HydrophobicContact CB-CD2 4.44Å; K630-Y632 HydrophobicContact CB-CE2 4.01Å; K630-Y632 WeakPolarHBondContact O-CD2 3.4Å; K630-Y632 PolarHBondContact O-N 3.2Å; Y632-C657 HydrophobicContact CD1-CB 4.2Å; Y632-C657 HydrophobicContact CE1-CB 4.09Å; Y632-C657 WeakPolarHBondContact CE1-SG 3.46Å
633	R	79.2	Confident	75.9	Confident	61 Å²	61	76.1 Å²	76.1	23%	0.23	38%	0.375	C	S	.	.			trans	-109.9	143.3	-171.6	-68.2	-71	171.7	172.9	-1.8	112.2	G621 E635 P655	G621-R633 WeakPolarHBondContact O-CB 3.43Å; G621-R633 PolarHBondContact O-N 2.88Å; R633-E635 WeakPolarHBondContact CA-OE2 3.26Å; R633-E635 WeakPolarHBondContact CB-OE2 3.25Å; R633-E635 VanDerWaalsContact CD-CD 3.47Å; R633-E635 WeakPolarHBondContact CD-OE1 3.49Å; R633-E635 WeakPolarHBondContact CD-OE2 3.47Å; R633-E635 IonicContact CZ-OE1 2.81Å; R633-E635 IonicContact NE-OE1 3.83Å; R633-E635 IonicContact NH1-OE1 2.82Å; R633-E635 PolarHBondContact NH1-OE1 2.76Å; R633-P655 WeakPolarHBondContact O-CA 3.43Å
634	K	84	Confident	75.9	Confident	84 Å²	84	80.3 Å²	80.3	37%	0.365	39%	0.393	S	S	.	.			trans	-102.1	-10.3	171.4	-63.5	-170.4	175.1	-162.5	0	111.9	P651 M652 P653 P655	K634-P651 HydrophobicContact CB-CB 3.89Å; K634-P651 CarbonylContact O-C 3.55Å; K634-P651 VanDerWaalsContact O-CA 3.27Å; K634-P651 WeakPolarHBondContact O-CA 3.33Å; K634-M652 PolarHBondContact O-N 3.46Å; K634-P653 PolarHBondContact NZ-O 2.89Å; K634-P653 VanDerWaalsContact NZ-O 3.09Å; K634-P655 VanDerWaalsContact CE-CD 3.43Å; K634-P655 HydrophobicContact CG-CB 3.67Å; K634-P655 HydrophobicContact CG-CG 4.24Å
635	E	86.6	Confident	76.5	Confident	18 Å²	18	79.1 Å²	79.1	8%	0.084	38%	0.381	C	S	.	.			trans	-66	142.4	-174.7	-62	90.3	146.4	0	0	110.8	G620 R633 Y637 L648 L683	G620-E635 PolarHBondContact N-O 3.45Å; R633-E635 WeakPolarHBondContact CA-OE2 3.26Å; R633-E635 WeakPolarHBondContact CB-OE2 3.25Å; R633-E635 VanDerWaalsContact CD-CD 3.47Å; R633-E635 WeakPolarHBondContact CD-OE1 3.49Å; R633-E635 WeakPolarHBondContact CD-OE2 3.47Å; R633-E635 IonicContact CZ-OE1 2.81Å; R633-E635 IonicContact NE-OE1 3.83Å; R633-E635 IonicContact NH1-OE1 2.82Å; R633-E635 PolarHBondContact NH1-OE1 2.76Å; E635-Y637 HydrophobicContact CB-CE2 3.68Å; E635-L648 HydrophobicContact CB-CD1 4.22Å; E635-L648 HydrophobicContact CG-CD1 4.42Å; E635-L683 HydrophobicContact CG-CD2 4.08Å
636	A	89.9	Confident	77.8	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	136	172.9	0	0	0	0	0	108.5	W392 I618 I619 L649	W392-A636 HydrophobicContact CZ2-CB 3.87Å; I618-A636 CarbonylContact O-C 3.54Å; I618-A636 WeakPolarHBondContact O-CA 3.47Å; I619-A636 HydrophobicContact CG1-CB 4.19Å; I619-A636 HydrophobicContact CG2-CB 4.42Å; A636-L649 HydrophobicContact CB-CB 4.05Å; A636-L649 HydrophobicContact CB-CD1 4.19Å; A636-L649 HydrophobicContact CB-CG 4.5Å; A636-L649 WeakPolarHBondContact O-CB 3.46Å; A636-L649 PolarHBondContact O-N 2.99Å
637	Y	89.1	Confident	79.1	Confident	4 Å²	4	70.1 Å²	70.1	2%	0.016	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142.9	-175.8	-59.4	-89.9	0	0	0	109.9	V601 I604 F617 I618 E635 M647 L648 M690	V601-Y637 HydrophobicContact CG2-CD1 3.89Å; V601-Y637 HydrophobicContact CG2-CD2 3.79Å; V601-Y637 HydrophobicContact CG2-CE1 3.86Å; V601-Y637 HydrophobicContact CG2-CE2 3.78Å; V601-Y637 HydrophobicContact CG2-CG 3.85Å; I604-Y637 HydrophobicContact CD1-CE2 3.93Å; F617-Y637 WeakPolarHBondContact CA-O 3.43Å; I618-Y637 PolarHBondContact N-O 3.33Å; I618-Y637 PolarHBondContact O-N 2.99Å; E635-Y637 HydrophobicContact CB-CE2 3.68Å; Y637-M647 WeakPolarHBondContact CA-O 3.45Å; Y637-L648 HydrophobicContact CD1-CD1 4.03Å; Y637-L648 HydrophobicContact CE1-CD1 3.64Å; Y637-M690 HydrophobicContact CD1-CE 4.34Å; Y637-M690 HydrophobicContact CE1-CE 4.22Å; Y637-M690 HydrophobicContact CE1-SD 4.17Å
638	R	90.7	Very high	80.7	Confident	47 Å²	47	64.6 Å²	64.6	18%	0.177	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	123.2	172	175.1	-179	171.7	-177.1	3.2	109.9	D615 V616 F617 W646 M647 L649	D615-R638 HydrophobicContact CB-CG 4.42Å; D615-R638 IonicContact OD2-CZ 2.64Å; D615-R638 IonicContact OD2-NE 2.67Å; D615-R638 PolarHBondContact OD2-NE 2.91Å; D615-R638 IonicContact OD2-NH2 3.89Å; D615-R638 PolarHBondContact OD2-NH2 3.38Å; V616-R638 CarbonylContact O-C 3.6Å; V616-R638 VanDerWaalsContact O-CA 3.32Å; V616-R638 WeakPolarHBondContact O-CA 3.47Å; F617-R638 HydrophobicContact CD1-CB 4.19Å; F617-R638 HydrophobicContact CD1-CG 4.39Å; F617-R638 HydrophobicContact CE1-CB 4.03Å; F617-R638 HydrophobicContact CE1-CG 3.9Å; F617-R638 HydrophobicContact CE2-CG 4.29Å; F617-R638 HydrophobicContact CZ-CB 4.48Å; F617-R638 HydrophobicContact CZ-CG 3.84Å; R638-W646 CarbonylContact O-C 3.59Å; R638-W646 WeakPolarHBondContact O-CA 3.47Å; R638-M647 HydrophobicContact CG-CE 4.28Å; R638-M647 PolarHBondContact N-O 3.13Å; R638-M647 PolarHBondContact O-N 2.91Å; R638-L649 HydrophobicContact CB-CD1 4.08Å; R638-L649 HydrophobicContact CB-CD2 3.72Å; R638-L649 HydrophobicContact CB-CG 4.09Å
639	Y	88.9	Confident	82.2	Confident	23 Å²	23	57.9 Å²	57.9	9%	0.09	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	113.4	161.7	-176.5	-111.8	0	0	0	108.8	D615 V616 A641 W646	D615-Y639 WeakPolarHBondContact CA-O 3.42Å; D615-Y639 VanDerWaalsContact CB-O 3.23Å; D615-Y639 WeakPolarHBondContact CB-O 3.48Å; D615-Y639 VanDerWaalsContact CG-O 3.29Å; V616-Y639 PolarHBondContact N-O 3.24Å; V616-Y639 PolarHBondContact O-N 3.27Å; Y639-A641 HydrophobicContact CE1-CB 4.37Å; Y639-W646 AromaticContact CD2-CD1 3.91Å; Y639-W646 AromaticContact CD2-CD2 3.89Å; Y639-W646 HydrophobicContact CD2-CD2 3.89Å; Y639-W646 AromaticContact CD2-CE2 3.54Å; Y639-W646 HydrophobicContact CD2-CG 4.09Å; Y639-W646 AromaticContact CD2-CZ2 3.97Å; Y639-W646 HydrophobicContact CD2-CZ2 3.97Å; Y639-W646 AromaticContact CD2-NE1 3.56Å; Y639-W646 HydrophobicContact CG-CD2 4.35Å; Y639-W646 HydrophobicContact CG-CH2 4.38Å; Y639-W646 HydrophobicContact CG-CZ2 4.02Å
640	C	86.4	Confident	83.3	Confident	5 Å²	5	52.2 Å²	52.2	3%	0.034	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	108.4	173.5	179.4	0	0	0	0	108.9	D615 R643 K644 R645 M647	D615-C640 WeakPolarHBondContact OD1-CA 3.37Å; C640-R643 HydrophobicContact CB-CB 4.2Å; C640-R643 CarbonylContact O-C 3.5Å; C640-R643 PolarHBondContact O-N 3.08Å; C640-K644 VanDerWaalsContact O-CA 3.31Å; C640-K644 WeakPolarHBondContact O-CA 3.44Å; C640-K644 PolarHBondContact O-N 3.13Å; C640-R645 PolarHBondContact N-O 3.46Å; C640-R645 PolarHBondContact O-N 3.19Å; C640-M647 HydrophobicContact CB-CE 3.84Å; C640-M647 HydrophobicContact CB-SD 4.44Å
641	A	82.7	Confident	84	Confident	15 Å²	15	47.5 Å²	47.5	12%	0.124	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-39.5	-177.3	0	0	0	0	0	112.1	E614 D615 Y639 R643 K644	E614-A641 HydrophobicContact CB-CB 3.53Å; E614-A641 WeakPolarHBondContact O-CB 3.45Å; D615-A641 PolarHBondContact OD1-N 2.99Å; Y639-A641 HydrophobicContact CE1-CB 4.37Å; A641-R643 VanDerWaalsContact C-N 3.29Å; A641-R643 PolarHBondContact O-N 3.04Å; A641-K644 VanDerWaalsContact O-CG 3.26Å; A641-K644 WeakPolarHBondContact O-CG 3.34Å; A641-K644 PolarHBondContact O-N 3.01Å
642	E	80.4	Confident	84.4	Confident	179 Å²	179	43.2 Å²	43.2	84%	0.836	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-42.6	176.6	-173.1	-172.2	-177.1	0	0	111.5
643	R	78.8	Confident	84.5	Confident	121 Å²	121	42.9 Å²	42.9	46%	0.457	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-7.4	-179.5	-63.8	179.5	177.6	-173.1	-3.3	113.2	C640 A641 R645	C640-R643 HydrophobicContact CB-CB 4.2Å; C640-R643 CarbonylContact O-C 3.5Å; C640-R643 PolarHBondContact O-N 3.08Å; A641-R643 VanDerWaalsContact C-N 3.29Å; A641-R643 PolarHBondContact O-N 3.04Å; R643-R645 VanDerWaalsContact C-N 3.29Å; R643-R645 HydrophobicContact CB-CG 3.87Å; R643-R645 PolarHBondContact O-N 3.16Å
644	K	78.5	Confident	84.7	Confident	168 Å²	168	43.3 Å²	43.3	73%	0.73	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.1	49.3	-172.7	-58.5	-174.2	177.7	-170	0	112.5	C640 A641	C640-K644 VanDerWaalsContact O-CA 3.31Å; C640-K644 WeakPolarHBondContact O-CA 3.44Å; C640-K644 PolarHBondContact O-N 3.13Å; A641-K644 VanDerWaalsContact O-CG 3.26Å; A641-K644 WeakPolarHBondContact O-CG 3.34Å; A641-K644 PolarHBondContact O-N 3.01Å
645	R	78.7	Confident	84.8	Confident	74 Å²	74	40 Å²	40	28%	0.279	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	150.2	-177.2	76.8	-177.6	-171	179.2	5.5	113.6	C640 R643 M647	C640-R645 PolarHBondContact N-O 3.46Å; C640-R645 PolarHBondContact O-N 3.19Å; R643-R645 VanDerWaalsContact C-N 3.29Å; R643-R645 HydrophobicContact CB-CG 3.87Å; R643-R645 PolarHBondContact O-N 3.16Å; R645-M647 HydrophobicContact CG-CG 4.29Å
646	W	83.4	Confident	84.9	Confident	5 Å²	5	39.3 Å²	39.3	2%	0.019	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	136	172	-67.7	96.4	0	0	0	111.8	I593 S596 L597 P598 I618 R638 Y639 Q694	I593-W646 HydrophobicContact CG2-CZ2 4.5Å; S596-W646 VanDerWaalsContact O-CD1 3.23Å; S596-W646 PolarHBondContact O-NE1 3.46Å; S596-W646 PolarHBondContact OG-NE1 3.49Å; L597-W646 HydrophobicContact CD2-CD2 4.34Å; L597-W646 HydrophobicContact CD2-CH2 3.64Å; L597-W646 HydrophobicContact CD2-CZ2 3.18Å; L597-W646 HydrophobicContact CD2-CZ3 4.38Å; L597-W646 HydrophobicContact CG-CZ2 4.26Å; P598-W646 HydrophobicContact CG-CB 4.3Å; P598-W646 HydrophobicContact CG-CG 4.46Å; I618-W646 HydrophobicContact CD1-CH2 3.59Å; I618-W646 HydrophobicContact CD1-CZ3 3.63Å; I618-W646 HydrophobicContact CG1-CH2 4.38Å; I618-W646 HydrophobicContact CG1-CZ3 4.19Å; R638-W646 CarbonylContact O-C 3.59Å; R638-W646 WeakPolarHBondContact O-CA 3.47Å; Y639-W646 AromaticContact CD2-CD1 3.91Å; Y639-W646 AromaticContact CD2-CD2 3.89Å; Y639-W646 HydrophobicContact CD2-CD2 3.89Å; Y639-W646 AromaticContact CD2-CE2 3.54Å; Y639-W646 HydrophobicContact CD2-CG 4.09Å; Y639-W646 AromaticContact CD2-CZ2 3.97Å; Y639-W646 HydrophobicContact CD2-CZ2 3.97Å; Y639-W646 AromaticContact CD2-NE1 3.56Å; Y639-W646 HydrophobicContact CG-CD2 4.35Å; Y639-W646 HydrophobicContact CG-CH2 4.38Å; Y639-W646 HydrophobicContact CG-CZ2 4.02Å; W646-Q694 PolarHBondContact O-NE2 3.03Å; W646-Q694 PolarHBondContact O-OE1 3.34Å
647	M	84.2	Confident	84.8	Confident	36 Å²	36	39.3 Å²	39.3	18%	0.177	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.9	176.8	-58.3	-172.8	-56.1	0	0	109.1	Y637 R638 C640 R645 L649	Y637-M647 WeakPolarHBondContact CA-O 3.45Å; R638-M647 HydrophobicContact CG-CE 4.28Å; R638-M647 PolarHBondContact N-O 3.13Å; R638-M647 PolarHBondContact O-N 2.91Å; C640-M647 HydrophobicContact CB-CE 3.84Å; C640-M647 HydrophobicContact CB-SD 4.44Å; R645-M647 HydrophobicContact CG-CG 4.29Å; M647-L649 PolarHBondContact O-N 3.08Å
648	L	86.1	Confident	84.6	Confident	10 Å²	10	42 Å²	42	5%	0.052	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	119	168.7	-179.5	65.4	0	0	0	108.4	E635 Y637 M679 Q686 R687 M690	E635-L648 HydrophobicContact CB-CD1 4.22Å; E635-L648 HydrophobicContact CG-CD1 4.42Å; Y637-L648 HydrophobicContact CD1-CD1 4.03Å; Y637-L648 HydrophobicContact CE1-CD1 3.64Å; L648-M679 HydrophobicContact CD2-CE 4.28Å; L648-M679 HydrophobicContact CG-CE 4.43Å; L648-Q686 HydrophobicContact CD2-CB 4.11Å; L648-Q686 HydrophobicContact CD2-CG 4.02Å; L648-R687 HydrophobicContact CB-CB 4.36Å; L648-R687 HydrophobicContact CB-CG 4.34Å; L648-R687 HydrophobicContact CD2-CB 4.13Å; L648-M690 HydrophobicContact CB-SD 3.95Å
649	L	87.6	Confident	84.5	Confident	5 Å²	5	39.9 Å²	39.9	3%	0.026	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-81.4	164.6	176.4	-54	-175	0	0	0	110	Y385 F617 A636 R638 M647	Y385-L649 HydrophobicContact CD1-CD1 4.21Å; Y385-L649 HydrophobicContact CE1-CD1 3.84Å; Y385-L649 HydrophobicContact CE1-CD2 4.37Å; Y385-L649 HydrophobicContact CE2-CB 4.18Å; Y385-L649 HydrophobicContact CE2-CD1 4.27Å; Y385-L649 WeakPolarHBondContact OH-CD2 3.3Å; F617-L649 HydrophobicContact CD1-CD1 3.9Å; F617-L649 HydrophobicContact CE1-CD1 4.03Å; A636-L649 HydrophobicContact CB-CB 4.05Å; A636-L649 HydrophobicContact CB-CD1 4.19Å; A636-L649 HydrophobicContact CB-CG 4.5Å; A636-L649 WeakPolarHBondContact O-CB 3.46Å; A636-L649 PolarHBondContact O-N 2.99Å; R638-L649 HydrophobicContact CB-CD1 4.08Å; R638-L649 HydrophobicContact CB-CD2 3.72Å; R638-L649 HydrophobicContact CB-CG 4.09Å; M647-L649 PolarHBondContact O-N 3.08Å
650	P	84.3	Confident	84.7	Confident	12 Å²	12	38.8 Å²	38.8	8%	0.078	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-49	140.9	164.1	-24.8	32.1	0	0	0	111.2	Y385 D390 W392	Y385-P650 HydrophobicContact CE2-CG 4.3Å; Y385-P650 VanDerWaalsContact OH-CD 3.3Å; Y385-P650 WeakPolarHBondContact OH-CD 3.27Å; D390-P650 VanDerWaalsContact O-CG 3.32Å; D390-P650 WeakPolarHBondContact O-CG 3.49Å; W392-P650 PolarHBondContact NE1-O 2.65Å
651	P	84.1	Confident	85	Confident	7 Å²	7	38.5 Å²	38.5	5%	0.045	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-67.1	149.4	179.6	29.1	-36	0	0	0	111.5	W392 K634 P680 L683	W392-P651 PolarHBondContact NE1-O 2.81Å; K634-P651 HydrophobicContact CB-CB 3.89Å; K634-P651 CarbonylContact O-C 3.55Å; K634-P651 VanDerWaalsContact O-CA 3.27Å; K634-P651 WeakPolarHBondContact O-CA 3.33Å; P651-P680 VanDerWaalsContact CG-CD 3.49Å; P651-P680 HydrophobicContact CG-CG 4.25Å; P651-L683 HydrophobicContact CB-CD1 3.56Å; P651-L683 HydrophobicContact CG-CD1 3.59Å
652	M	87	Confident	85.6	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.02	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-58.8	152.7	169.3	-72.7	-170.4	-67.7	0	0	111.7	W392 I619 K634 Q654 R656	W392-M652 HydrophobicContact CD2-CG 4.22Å; W392-M652 HydrophobicContact CE3-CG 4.4Å; W392-M652 HydrophobicContact CH2-CG 3.57Å; W392-M652 HydrophobicContact CH2-SD 4.15Å; W392-M652 HydrophobicContact CZ2-CB 4.48Å; W392-M652 HydrophobicContact CZ2-CG 3.35Å; W392-M652 HydrophobicContact CZ2-SD 4.44Å; W392-M652 HydrophobicContact CZ3-CG 4.1Å; I619-M652 HydrophobicContact CG2-CE 3.71Å; I619-M652 HydrophobicContact CG2-CG 4.01Å; I619-M652 HydrophobicContact CG2-SD 3.18Å; I619-M652 WeakPolarHBondContact CG2-SD 3.34Å; K634-M652 PolarHBondContact O-N 3.46Å; M652-Q654 VanDerWaalsContact C-N 3.33Å; M652-Q654 PolarHBondContact O-N 2.84Å; M652-R656 HydrophobicContact CE-CG 4.02Å; M652-R656 HydrophobicContact SD-CG 4.23Å
653	P	83.6	Confident	86.4	Confident	22 Å²	22	31.8 Å²	31.8	14%	0.143	14%	0.141	C	C	.	.	S	Bend	trans	-54.6	-48.8	176.2	-27.6	37.3	0	0	0	112.9	V383 W392 K634 Y677	V383-P653 HydrophobicContact CG1-CG 4.11Å; W392-P653 HydrophobicContact CB-CG 4.17Å; K634-P653 PolarHBondContact NZ-O 2.89Å; K634-P653 VanDerWaalsContact NZ-O 3.09Å; P653-Y677 HydrophobicContact CB-CD1 3.83Å; P653-Y677 HydrophobicContact CB-CD2 4.39Å; P653-Y677 HydrophobicContact CB-CE1 3.51Å; P653-Y677 HydrophobicContact CB-CE2 4.08Å; P653-Y677 HydrophobicContact CB-CG 4.24Å; P653-Y677 HydrophobicContact CG-CD1 3.98Å; P653-Y677 HydrophobicContact CG-CD2 3.63Å; P653-Y677 HydrophobicContact CG-CE1 3.79Å; P653-Y677 HydrophobicContact CG-CE2 3.39Å; P653-Y677 HydrophobicContact CG-CG 3.88Å; P653-Y677 VanDerWaalsContact CG-CZ 3.45Å
654	Q	82.9	Confident	87.2	Confident	70 Å²	70	26.4 Å²	26.4	33%	0.327	12%	0.121	S	C	.	.	S	Bend	trans	-126.4	142.6	-177.3	-63.7	-173.9	27.5	0	0	110.1	E381 M652	E381-Q654 PolarHBondContact OE1-NE2 2.95Å; E381-Q654 VanDerWaalsContact OE1-NE2 3.07Å; E381-Q654 VanDerWaalsContact OE2-CD 3.25Å; E381-Q654 PolarHBondContact OE2-NE2 2.84Å; E381-Q654 PolarHBondContact OE2-OE1 2.9Å; M652-Q654 VanDerWaalsContact C-N 3.33Å; M652-Q654 PolarHBondContact O-N 2.84Å
655	P	87.1	Confident	87.9	Confident	14 Å²	14	22.5 Å²	22.5	9%	0.091	10%	0.102	C	C	.	.			trans	-74.4	138.9	177.2	30.6	-21.1	0	0	0	109.2	E374 R633 K634	E374-P655 HydrophobicContact CB-CG 4.15Å; R633-P655 WeakPolarHBondContact O-CA 3.43Å; K634-P655 VanDerWaalsContact CE-CD 3.43Å; K634-P655 HydrophobicContact CG-CB 3.67Å; K634-P655 HydrophobicContact CG-CG 4.24Å
656	R	87.6	Confident	88.5	Confident	4 Å²	4	19 Å²	19	2%	0.015	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	148.4	-179.7	60.7	-176.1	68.3	-168.3	1.1	112.2	G370 V372 L379 E381 G621 M652 A659	G370-R656 WeakPolarHBondContact O-CD 3.32Å; G370-R656 PolarHBondContact O-NH1 2.91Å; V372-R656 VanDerWaalsContact O-CA 3.23Å; V372-R656 WeakPolarHBondContact O-CA 3.44Å; L379-R656 HydrophobicContact CD1-CB 3.87Å; E381-R656 PolarHBondContact O-NH1 2.78Å; E381-R656 IonicContact OE2-NH2 2.78Å; E381-R656 PolarHBondContact OE2-NH2 3.14Å; G621-R656 PolarHBondContact N-O 3.49Å; M652-R656 HydrophobicContact CE-CG 4.02Å; M652-R656 HydrophobicContact SD-CG 4.23Å; R656-A659 HydrophobicContact CG-CB 4.29Å
657	C	87.7	Confident	88.9	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	164.6	170.3	78.2	0	0	0	0	111	G371 V372 W622 Y632 A659	G371-C657 CarbonylContact C-O 3.54Å; G371-C657 WeakPolarHBondContact CA-O 3.36Å; V372-C657 PolarHBondContact N-O 3.09Å; V372-C657 PolarHBondContact O-N 3.03Å; W622-C657 HydrophobicContact CE3-CB 4.3Å; Y632-C657 HydrophobicContact CD1-CB 4.2Å; Y632-C657 HydrophobicContact CE1-CB 4.09Å; Y632-C657 WeakPolarHBondContact CE1-SG 3.46Å; C657-A659 PolarHBondContact O-N 2.81Å
658	R	85.2	Confident	89.3	Confident	60 Å²	60	17.5 Å²	17.5	23%	0.226	8%	0.082	C	C	.	.	S	Bend	trans	51.6	26.6	-178.2	-58.8	-169.6	-62.7	-83.3	0.2	114.5	V372 D403 G404 G606	V372-R658 VanDerWaalsContact CG2-NH2 3.32Å; D403-R658 VanDerWaalsContact CG-NE 3.28Å; D403-R658 WeakPolarHBondContact OD1-CB 3.27Å; D403-R658 WeakPolarHBondContact OD1-CD 3.39Å; D403-R658 IonicContact OD1-CZ 3.97Å; D403-R658 IonicContact OD1-NE 2.83Å; D403-R658 PolarHBondContact OD1-NE 2.84Å; D403-R658 IonicContact OD2-CZ 3.94Å; D403-R658 VanDerWaalsContact OD2-CZ 3.26Å; D403-R658 IonicContact OD2-NE 3.18Å; D403-R658 PolarHBondContact OD2-NE 2.92Å; D403-R658 IonicContact OD2-NH2 2.85Å; D403-R658 PolarHBondContact OD2-NH2 3.01Å; G404-R658 PolarHBondContact N-O 2.89Å; G606-R658 PolarHBondContact O-N 2.83Å
659	A	90	Very high	89.5	Confident	3 Å²	3	21.4 Å²	21.4	3%	0.025	10%	0.096	C	C	.	.			trans	-73.2	164.8	165.8	0	0	0	0	0	109.6	V368 V369 G370 A608 R656 C657	V368-A659 HydrophobicContact CG1-CB 3.81Å; V369-A659 WeakPolarHBondContact O-CA 3.41Å; V369-A659 WeakPolarHBondContact O-CB 3.17Å; G370-A659 WeakPolarHBondContact O-CB 3.31Å; A608-A659 HydrophobicContact CB-CB 4.21Å; A608-A659 WeakPolarHBondContact CB-O 3.38Å; R656-A659 HydrophobicContact CG-CB 4.29Å; C657-A659 PolarHBondContact O-N 2.81Å
660	T	91.4	Very high	89.6	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	153.4	166.6	68.2	0	0	0	0	110.2	V368 V369 H405 I407 S568	V368-T660 CarbonylContact C-O 3.47Å; V368-T660 VanDerWaalsContact CA-O 3.31Å; V368-T660 WeakPolarHBondContact CA-O 3.17Å; V369-T660 PolarHBondContact N-O 3.34Å; V369-T660 PolarHBondContact O-N 3Å; V369-T660 VanDerWaalsContact O-N 3.11Å; H405-T660 VanDerWaalsContact CD2-CG2 3.43Å; H405-T660 WeakPolarHBondContact CD2-CG2 3.45Å; H405-T660 PolarHBondContact CD2-OG1 2.79Å; H405-T660 WeakPolarHBondContact NE2-CG2 3.36Å; H405-T660 PolarHBondContact NE2-OG1 3.37Å; H405-T660 WeakPolarHBondContact O-CG2 3.35Å; I407-T660 HydrophobicContact CB-CG2 4.47Å; I407-T660 HydrophobicContact CG2-CG2 4.39Å; S568-T660 WeakPolarHBondContact OG-CG2 3.09Å
661	A	94.1	Very high	89.8	Confident	0 Å²	0	24 Å²	24	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	146.8	176.2	0	0	0	0	0	110.2	I366 M367 V368 C570 A608 C610 I619	I366-A661 HydrophobicContact CG2-CB 4.33Å; M367-A661 CarbonylContact O-C 3.48Å; M367-A661 WeakPolarHBondContact O-CA 3.4Å; V368-A661 HydrophobicContact CG2-CB 4.26Å; C570-A661 WeakPolarHBondContact CB-O 3.47Å; A608-A661 HydrophobicContact CB-CB 3.77Å; C610-A661 HydrophobicContact CB-CB 3.98Å; C610-A661 WeakPolarHBondContact CB-O 3.47Å; I619-A661 HydrophobicContact CD1-CB 4.17Å
662	C	95.6	Very high	89.9	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	161.1	172.4	73.6	0	0	0	0	111.2	I366 M367 I407 T409 V414	I366-C662 CarbonylContact C-O 3.46Å; I366-C662 WeakPolarHBondContact CA-O 3.12Å; M367-C662 PolarHBondContact N-O 3.35Å; M367-C662 PolarHBondContact O-N 3.14Å; I407-C662 HydrophobicContact CD1-CB 3.68Å; I407-C662 VanDerWaalsContact CD1-SG 3.54Å; I407-C662 HydrophobicContact CG1-CB 4.09Å; T409-C662 HydrophobicContact CG2-CB 3.6Å; V414-C662 VanDerWaalsContact CG1-SG 3.51Å
663	H	95.9	Very high	89.3	Confident	52 Å²	52	30.8 Å²	30.8	24%	0.241	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	138.5	166.8	167.3	-114.1	0	0	0	109.8	D364 I366 T409 F612	D364-H663 IonicContact OD1-CD2 3.35Å; D364-H663 IonicContact OD1-CE1 2.99Å; D364-H663 IonicContact OD1-NE2 2.77Å; D364-H663 PolarHBondContact OD1-NE2 3Å; I366-H663 HydrophobicContact CD1-CB 4.2Å; T409-H663 WeakPolarHBondContact CG2-O 3.47Å; F612-H663 AromaticContact CD2-CD2 3.43Å; F612-H663 VanDerWaalsContact CD2-CD2 3.43Å; F612-H663 WeakPolarHBondContact CD2-CD2 3.2Å; F612-H663 AromaticContact CD2-CE1 3.84Å; F612-H663 AromaticContact CD2-CG 3.93Å; F612-H663 AromaticContact CD2-NE2 3.37Å; F612-H663 WeakPolarHBondContact CD2-NE2 3.31Å; F612-H663 AromaticContact CE2-CD2 4Å; F612-H663 AromaticContact CE2-CE1 3.99Å; F612-H663 AromaticContact CE2-NE2 3.48Å; F612-H663 WeakPolarHBondContact CE2-NE2 3.38Å
664	V	95.2	Very high	88	Confident	9 Å²	9	35.6 Å²	35.6	6%	0.055	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	147.4	174.8	62.6	0	0	0	0	109.5	V365 M367 V414 Y431 P433 I666	V365-V664 HydrophobicContact CB-CG1 4.22Å; V365-V664 PolarHBondContact N-O 3.38Å; V365-V664 PolarHBondContact O-N 3.3Å; V365-V664 VanDerWaalsContact O-O 3.09Å; M367-V664 HydrophobicContact CB-CG1 3.74Å; M367-V664 HydrophobicContact CE-CG1 4.48Å; V414-V664 HydrophobicContact CG2-CB 3.95Å; V414-V664 HydrophobicContact CG2-CG2 3.73Å; Y431-V664 HydrophobicContact CD1-CG2 4.42Å; Y431-V664 HydrophobicContact CE1-CG2 4.2Å; P433-V664 HydrophobicContact CB-CG2 3.98Å; P433-V664 HydrophobicContact CG-CG2 3.56Å; V664-I666 HydrophobicContact CG1-CD1 3.86Å; V664-I666 HydrophobicContact CG1-CG1 4Å; V664-I666 HydrophobicContact CG2-CG1 4.18Å
665	R	93.3	Very high	86.8	Confident	86 Å²	86	37 Å²	37	33%	0.325	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119.2	174.6	-61.4	-173.7	71.4	-150.6	-7.1	109.7	D265 N362 M363 D364 P433	D265-R665 IonicContact OD1-CZ 3.1Å; D265-R665 IonicContact OD1-NH1 2.83Å; D265-R665 PolarHBondContact OD1-NH1 2.8Å; D265-R665 IonicContact OD1-NH2 2.64Å; D265-R665 PolarHBondContact OD1-NH2 2.84Å; N362-R665 HydrophobicContact CB-CB 4.28Å; N362-R665 PolarHBondContact O-NH2 3.15Å; M363-R665 CarbonylContact O-C 3.45Å; M363-R665 VanDerWaalsContact O-CA 3.29Å; M363-R665 WeakPolarHBondContact O-CA 3.44Å; D364-R665 WeakPolarHBondContact OD1-CG 3.22Å; D364-R665 IonicContact OD1-NE 3.76Å; P433-R665 WeakPolarHBondContact CB-O 3.4Å
666	I	92.8	Very high	85.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.6	-175.4	-59.5	174.3	0	0	0	109	M363 V365 L395 Y431 P433 V664 Y668 F670 L671	M363-I666 PolarHBondContact N-O 3.37Å; M363-I666 PolarHBondContact O-N 3.22Å; V365-I666 HydrophobicContact CB-CD1 4.23Å; V365-I666 HydrophobicContact CG1-CD1 4.32Å; V365-I666 HydrophobicContact CG2-CB 4.36Å; V365-I666 HydrophobicContact CG2-CD1 4.24Å; V365-I666 HydrophobicContact CG2-CG1 4.47Å; L395-I666 HydrophobicContact CD1-CD1 4.1Å; L395-I666 HydrophobicContact CD2-CD1 3.91Å; Y431-I666 HydrophobicContact CE1-CD1 4.17Å; Y431-I666 HydrophobicContact CE1-CG1 4.31Å; Y431-I666 WeakPolarHBondContact OH-CD1 3.48Å; P433-I666 HydrophobicContact CB-CG1 4.34Å; V664-I666 HydrophobicContact CG1-CD1 3.86Å; V664-I666 HydrophobicContact CG1-CG1 4Å; V664-I666 HydrophobicContact CG2-CG1 4.18Å; I666-Y668 PolarHBondContact O-N 2.9Å; I666-F670 HydrophobicContact CG2-CB 3.92Å; I666-F670 HydrophobicContact CG2-CD2 4.03Å; I666-F670 HydrophobicContact CG2-CG 4.46Å; I666-L671 HydrophobicContact CB-CD1 4.34Å; I666-L671 HydrophobicContact CB-CD2 4.29Å; I666-L671 HydrophobicContact CB-CG 4.44Å; I666-L671 HydrophobicContact CD1-CD2 4.48Å; I666-L671 HydrophobicContact CG2-CD2 4.07Å; I666-L671 HydrophobicContact CG2-CG 4.18Å
667	P	92.3	Very high	84.2	Confident	4 Å²	4	48.3 Å²	48.3	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	133.5	173.5	-27.9	35.3	0	0	0	112.7	Q361 P433 R669 F670	Q361-P667 CarbonylContact O-C 3.51Å; Q361-P667 WeakPolarHBondContact O-CA 3.49Å; P433-P667 WeakPolarHBondContact O-CD 3.22Å; P667-R669 HydrophobicContact CB-CG 4Å; P667-R669 PolarHBondContact O-N 2.88Å; P667-F670 HydrophobicContact CB-CD2 3.93Å; P667-F670 HydrophobicContact CB-CE2 4.14Å; P667-F670 HydrophobicContact CG-CD2 4.13Å; P667-F670 HydrophobicContact CG-CE2 4.06Å; P667-F670 PolarHBondContact O-N 2.87Å
668	Y	92.1	Very high	82.7	Confident	5 Å²	5	53.6 Å²	53.6	2%	0.02	26%	0.257	C	S	.	.	H	α-helix	trans	-54.6	-30.6	-176.1	-176.3	-119.8	0	0	0	113.7	Q356 P357 R358 F359 Q361 M363 F386 E389 I666 F670 L671 Y672	Q356-Y668 HydrophobicContact CB-CE1 4.2Å; P357-Y668 HydrophobicContact CB-CD1 3.89Å; P357-Y668 HydrophobicContact CB-CD2 4.16Å; P357-Y668 HydrophobicContact CB-CE1 4.27Å; P357-Y668 HydrophobicContact CB-CG 3.83Å; P357-Y668 HydrophobicContact CG-CD1 4.41Å; P357-Y668 HydrophobicContact CG-CD2 4.12Å; P357-Y668 HydrophobicContact CG-CE1 4.39Å; P357-Y668 HydrophobicContact CG-CE2 4.08Å; P357-Y668 HydrophobicContact CG-CG 4.28Å; P357-Y668 WeakPolarHBondContact O-CD1 3.42Å; R358-Y668 VanDerWaalsContact O-CB 3.27Å; R358-Y668 WeakPolarHBondContact O-CB 3.36Å; F359-Y668 AromaticContact CD1-CD1 3.96Å; F359-Y668 HydrophobicContact CD1-CD1 3.96Å; F359-Y668 HydrophobicContact CD1-CE1 4.44Å; F359-Y668 HydrophobicContact CE1-CD1 4.36Å; F359-Y668 HydrophobicContact CE1-CE1 4.39Å; F359-Y668 PolarHBondContact O-N 2.81Å; Q361-Y668 PolarHBondContact O-N 3.42Å; M363-Y668 HydrophobicContact CG-CD2 4.1Å; M363-Y668 HydrophobicContact CG-CG 4.42Å; F386-Y668 HydrophobicContact CE1-CD2 4.19Å; F386-Y668 AromaticContact CE1-CE2 3.78Å; F386-Y668 HydrophobicContact CE1-CE2 3.78Å; F386-Y668 AromaticContact CZ-CD2 3.84Å; F386-Y668 HydrophobicContact CZ-CD2 3.84Å; F386-Y668 AromaticContact CZ-CE2 3.76Å; F386-Y668 HydrophobicContact CZ-CE2 3.76Å; E389-Y668 PolarHBondContact OE1-OH 3.45Å; I666-Y668 PolarHBondContact O-N 2.9Å; Y668-F670 PolarHBondContact O-N 3.1Å; Y668-F670 VanDerWaalsContact O-N 3.08Å; Y668-L671 HydrophobicContact CD2-CB 4.36Å; Y668-L671 CarbonylContact O-C 3.46Å; Y668-L671 WeakPolarHBondContact O-CA 3.5Å; Y668-L671 PolarHBondContact O-N 3.4Å; Y668-Y672 AromaticContact CE1-CD2 3.69Å; Y668-Y672 HydrophobicContact CE1-CD2 3.69Å; Y668-Y672 HydrophobicContact CE1-CE2 4.48Å; Y668-Y672 HydrophobicContact CE1-CG 4.44Å; Y668-Y672 AromaticContact CZ-CD2 3.79Å; Y668-Y672 WeakPolarHBondContact O-CB 3.44Å; Y668-Y672 PolarHBondContact O-N 2.98Å
669	R	90.6	Very high	81.5	Confident	93 Å²	93	52.9 Å²	52.9	35%	0.351	26%	0.257	S	S	.	.	H	α-helix	trans	-50.5	-33.3	174.5	69.6	-174.7	68.4	-151.9	-2.1	114.2	E261 F359 P667	E261-R669 PolarHBondContact O-NH2 2.83Å; E261-R669 IonicContact OE2-CZ 3.91Å; E261-R669 IonicContact OE2-NE 3.26Å; E261-R669 IonicContact OE2-NH1 3.54Å; E261-R669 PolarHBondContact OE2-NH1 2.67Å; E261-R669 IonicContact OE2-NH2 2.78Å; E261-R669 PolarHBondContact OE2-NH2 2.92Å; F359-R669 HydrophobicContact CB-CB 4Å; F359-R669 HydrophobicContact CD1-CB 4.29Å; F359-R669 HydrophobicContact CG-CB 4.48Å; F359-R669 WeakPolarHBondContact O-CB 3.39Å; F359-R669 PolarHBondContact O-N 3.42Å; F359-R669 PolarHBondContact O-NE 3.31Å; P667-R669 HydrophobicContact CB-CG 4Å; P667-R669 PolarHBondContact O-N 2.88Å
670	F	89.9	Confident	80.2	Confident	67 Å²	67	55.8 Å²	55.8	29%	0.294	28%	0.275	S	S	.	.	H	α-helix	trans	-87.3	-16.4	-179.4	-59.9	-57.7	0	0	0	112.7	N434 N436 I666 P667 Y668	N434-F670 WeakPolarHBondContact O-CE2 3.42Å; N436-F670 HydrophobicContact CB-CB 4.19Å; N436-F670 HydrophobicContact CB-CD1 3.57Å; N436-F670 HydrophobicContact CB-CD2 3.62Å; N436-F670 HydrophobicContact CB-CE1 3.7Å; N436-F670 HydrophobicContact CB-CE2 3.74Å; N436-F670 HydrophobicContact CB-CG 3.52Å; N436-F670 HydrophobicContact CB-CZ 3.77Å; I666-F670 HydrophobicContact CG2-CB 3.92Å; I666-F670 HydrophobicContact CG2-CD2 4.03Å; I666-F670 HydrophobicContact CG2-CG 4.46Å; P667-F670 HydrophobicContact CB-CD2 3.93Å; P667-F670 HydrophobicContact CB-CE2 4.14Å; P667-F670 HydrophobicContact CG-CD2 4.13Å; P667-F670 HydrophobicContact CG-CE2 4.06Å; P667-F670 PolarHBondContact O-N 2.87Å; Y668-F670 PolarHBondContact O-N 3.1Å; Y668-F670 VanDerWaalsContact O-N 3.08Å
671	L	88.4	Confident	78.9	Confident	4 Å²	4	62.8 Å²	62.8	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-98.7	-19	179.6	-52.9	176.7	0	0	0	111.8	M363 V365 F386 R391 V393 L395 I666 Y668	M363-L671 HydrophobicContact CB-CD1 3.7Å; M363-L671 HydrophobicContact CG-CD1 4.23Å; V365-L671 HydrophobicContact CG2-CD1 3.61Å; V365-L671 HydrophobicContact CG2-CD2 3.93Å; V365-L671 HydrophobicContact CG2-CG 4.44Å; F386-L671 HydrophobicContact CD1-CB 4.42Å; F386-L671 HydrophobicContact CD2-CD1 3.95Å; F386-L671 HydrophobicContact CE1-CB 4.38Å; F386-L671 HydrophobicContact CE2-CD1 3.96Å; F386-L671 HydrophobicContact CG-CD1 4.35Å; F386-L671 HydrophobicContact CZ-CD1 4.33Å; R391-L671 PolarHBondContact NH2-O 3.11Å; V393-L671 HydrophobicContact CG2-CD2 3.94Å; L395-L671 HydrophobicContact CD2-CD2 4.29Å; I666-L671 HydrophobicContact CB-CD1 4.34Å; I666-L671 HydrophobicContact CB-CD2 4.29Å; I666-L671 HydrophobicContact CB-CG 4.44Å; I666-L671 HydrophobicContact CD1-CD2 4.48Å; I666-L671 HydrophobicContact CG2-CD2 4.07Å; I666-L671 HydrophobicContact CG2-CG 4.18Å; Y668-L671 HydrophobicContact CD2-CB 4.36Å; Y668-L671 CarbonylContact O-C 3.46Å; Y668-L671 WeakPolarHBondContact O-CA 3.5Å; Y668-L671 PolarHBondContact O-N 3.4Å
672	Y	84.6	Confident	77.7	Confident	118 Å²	118	68.7 Å²	68.7	46%	0.463	34%	0.34	S	S	.	.			trans	-63.5	131.6	-179.5	-175.7	-107.9	0	0	0	111.6	F359 Y668	F359-Y672 AromaticContact CE1-CD1 3.85Å; F359-Y672 HydrophobicContact CE1-CD1 3.85Å; F359-Y672 AromaticContact CE1-CD2 3.89Å; F359-Y672 HydrophobicContact CE1-CD2 3.89Å; F359-Y672 HydrophobicContact CE1-CE1 4.28Å; F359-Y672 HydrophobicContact CE1-CE2 4.32Å; F359-Y672 AromaticContact CE1-CG 3.63Å; F359-Y672 HydrophobicContact CE1-CG 3.63Å; F359-Y672 HydrophobicContact CZ-CD1 4.35Å; F359-Y672 HydrophobicContact CZ-CE1 4.36Å; F359-Y672 HydrophobicContact CZ-CG 4.47Å; Y668-Y672 AromaticContact CE1-CD2 3.69Å; Y668-Y672 HydrophobicContact CE1-CD2 3.69Å; Y668-Y672 HydrophobicContact CE1-CE2 4.48Å; Y668-Y672 HydrophobicContact CE1-CG 4.44Å; Y668-Y672 AromaticContact CZ-CD2 3.79Å; Y668-Y672 WeakPolarHBondContact O-CB 3.44Å; Y668-Y672 PolarHBondContact O-N 2.98Å
673	G	75.6	Confident	76.3	Confident	35 Å²	35	69.9 Å²	69.9	36%	0.361	35%	0.346	S	S	.	.	S	Bend	trans	141.4	173.8	177	0	0	0	0	0	114	Q675	G673-Q675 PolarHBondContact O-N 3.33Å
674	C	55.2	Low	74.8	Confident	124 Å²	124	68.7 Å²	68.7	84%	0.838	35%	0.345	S	S	*	.			trans	-92.1	13.3	-170.5	-65.6	0	0	0	0	114.9	R676	C674-R676 VanDerWaalsContact C-N 3.31Å; C674-R676 PolarHBondContact O-N 2.76Å
675	Q	59.4	Low	73.6	Confident	98 Å²	98	75.3 Å²	75.3	46%	0.458	37%	0.369	S	S	.	.			trans	-65.7	94.9	173.6	-72.2	-178.3	1.1	0	0	108.9	R391 N394 G673	R391-Q675 PolarHBondContact NH1-O 3.29Å; N394-Q675 PolarHBondContact ND2-OE1 3.11Å; G673-Q675 PolarHBondContact O-N 3.33Å
676	R	58.4	Low	72.4	Confident	176 Å²	176	73.5 Å²	73.5	66%	0.664	36%	0.364	S	S	*	.			trans	-118	119.7	175.8	-68.9	-175.4	178.9	178.8	0.6	107.3	C674 P678	C674-R676 VanDerWaalsContact C-N 3.31Å; C674-R676 PolarHBondContact O-N 2.76Å; R676-P678 WeakPolarHBondContact O-CD 3.37Å
677	Y	61.6	Low	71.4	Confident	80 Å²	80	75.8 Å²	75.8	31%	0.314	37%	0.373	S	S	.	.			trans	-89.2	101	168.9	-64.4	-80.7	0	0	0	107.3	W392 N394 P653 M679	W392-Y677 HydrophobicContact CB-CD2 3.83Å; W392-Y677 HydrophobicContact CB-CE2 4.36Å; N394-Y677 VanDerWaalsContact CG-OH 3.26Å; N394-Y677 PolarHBondContact ND2-OH 3.26Å; N394-Y677 VanDerWaalsContact ND2-OH 3.08Å; N394-Y677 PolarHBondContact OD1-OH 3.17Å; P653-Y677 HydrophobicContact CB-CD1 3.83Å; P653-Y677 HydrophobicContact CB-CD2 4.39Å; P653-Y677 HydrophobicContact CB-CE1 3.51Å; P653-Y677 HydrophobicContact CB-CE2 4.08Å; P653-Y677 HydrophobicContact CB-CG 4.24Å; P653-Y677 HydrophobicContact CG-CD1 3.98Å; P653-Y677 HydrophobicContact CG-CD2 3.63Å; P653-Y677 HydrophobicContact CG-CE1 3.79Å; P653-Y677 HydrophobicContact CG-CE2 3.39Å; P653-Y677 HydrophobicContact CG-CG 3.88Å; P653-Y677 VanDerWaalsContact CG-CZ 3.45Å; Y677-M679 PolarHBondContact O-N 3.1Å
678	P	55.2	Low	70.4	Confident	111 Å²	111	79.1 Å²	79.1	72%	0.721	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-64.6	137.7	-173.6	26.7	-34	0	0	0	110.3	R676 P680	R676-P678 WeakPolarHBondContact O-CD 3.37Å; P678-P680 VanDerWaalsContact O-CD 3.26Å; P678-P680 WeakPolarHBondContact O-CD 3.38Å
679	M	59.6	Low	69.4	Low	46 Å²	46	86.9 Å²	86.9	23%	0.227	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-65.1	119.4	177.1	-168.9	170.6	-156.3	0	0	109.8	L648 Y677 L683 A684 R687	L648-M679 HydrophobicContact CD2-CE 4.28Å; L648-M679 HydrophobicContact CG-CE 4.43Å; Y677-M679 PolarHBondContact O-N 3.1Å; M679-L683 HydrophobicContact CE-CB 3.99Å; M679-L683 HydrophobicContact CG-CB 4.26Å; M679-A684 HydrophobicContact CG-CB 4.26Å; M679-A684 HydrophobicContact SD-CB 4.15Å; M679-R687 HydrophobicContact CE-CB 3.93Å; M679-R687 HydrophobicContact CE-CG 4.49Å
680	P	64	Low	68.4	Low	63 Å²	63	83.1 Å²	83.1	41%	0.409	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-58.4	142.2	174.5	-22.9	33.9	0	0	0	110.9	P651 P678 N682 L683 A684	P651-P680 VanDerWaalsContact CG-CD 3.49Å; P651-P680 HydrophobicContact CG-CG 4.25Å; P678-P680 VanDerWaalsContact O-CD 3.26Å; P678-P680 WeakPolarHBondContact O-CD 3.38Å; P680-N682 PolarHBondContact O-N 3.22Å; P680-N682 VanDerWaalsContact O-N 3.11Å; P680-L683 HydrophobicContact CG-CD1 4.19Å; P680-L683 PolarHBondContact O-N 3.06Å; P680-A684 PolarHBondContact O-N 3.13Å
681	Q	64.1	Low	67.5	Low	147 Å²	147	83.5 Å²	83.5	69%	0.687	41%	0.409	S	S	*	.	H	α-helix	trans	-55.7	-34.1	-175.6	-68.7	-175.9	-0.3	0	0	113.5	A684 R685	Q681-A684 PolarHBondContact O-N 3.06Å; Q681-R685 WeakPolarHBondContact O-CG 3.3Å; Q681-R685 PolarHBondContact O-N 3.02Å
682	N	68.4	Low	66.6	Low	124 Å²	124	89 Å²	89	66%	0.663	43%	0.434	S	S	*	.	H	α-helix	trans	-64.6	-42.8	177.8	-68.2	-20	0	0	0	112	P680 R685 Q686	P680-N682 PolarHBondContact O-N 3.22Å; P680-N682 VanDerWaalsContact O-N 3.11Å; N682-R685 PolarHBondContact O-N 3.41Å; N682-Q686 PolarHBondContact O-N 3.18Å
683	L	65.5	Low	65.7	Low	26 Å²	26	88.9 Å²	88.9	14%	0.136	44%	0.44	C	S	.	.	H	α-helix	trans	-72.3	-35.7	176.9	-68.7	176	0	0	0	111.4	E635 P651 M679 P680 R685 Q686 R687	E635-L683 HydrophobicContact CG-CD2 4.08Å; P651-L683 HydrophobicContact CB-CD1 3.56Å; P651-L683 HydrophobicContact CG-CD1 3.59Å; M679-L683 HydrophobicContact CE-CB 3.99Å; M679-L683 HydrophobicContact CG-CB 4.26Å; P680-L683 HydrophobicContact CG-CD1 4.19Å; P680-L683 PolarHBondContact O-N 3.06Å; L683-R685 VanDerWaalsContact C-N 3.34Å; L683-R685 PolarHBondContact O-N 3.19Å; L683-Q686 WeakPolarHBondContact O-CB 3.48Å; L683-Q686 PolarHBondContact O-N 2.86Å; L683-R687 WeakPolarHBondContact O-CB 3.5Å; L683-R687 PolarHBondContact O-N 2.95Å
684	A	65.6	Low	65.3	Low	26 Å²	26	89.4 Å²	89.4	22%	0.215	43%	0.433	C	S	.	.	H	α-helix	trans	-59.4	-45.2	172.5	0	0	0	0	0	111.3	M679 P680 Q681 Q686 R687 D688	M679-A684 HydrophobicContact CG-CB 4.26Å; M679-A684 HydrophobicContact SD-CB 4.15Å; P680-A684 PolarHBondContact O-N 3.13Å; Q681-A684 PolarHBondContact O-N 3.06Å; A684-Q686 VanDerWaalsContact C-N 3.34Å; A684-Q686 PolarHBondContact O-N 3.37Å; A684-R687 WeakPolarHBondContact O-CB 3.4Å; A684-R687 PolarHBondContact O-N 2.67Å; A684-D688 VanDerWaalsContact O-CG 3.3Å; A684-D688 PolarHBondContact O-N 2.81Å
685	R	68.2	Low	65.8	Low	148 Å²	148	88.5 Å²	88.5	56%	0.558	42%	0.416	S	S	*	.	H	α-helix	trans	-62.3	-38.8	173.3	-71	175.3	-175.2	179.1	3.1	112.4	Q681 N682 L683 D688 R689	Q681-R685 WeakPolarHBondContact O-CG 3.3Å; Q681-R685 PolarHBondContact O-N 3.02Å; N682-R685 PolarHBondContact O-N 3.41Å; L683-R685 VanDerWaalsContact C-N 3.34Å; L683-R685 PolarHBondContact O-N 3.19Å; R685-D688 PolarHBondContact O-N 2.92Å; R685-R689 WeakPolarHBondContact O-CB 3.46Å; R685-R689 VanDerWaalsContact O-CG 3.26Å; R685-R689 WeakPolarHBondContact O-CG 3.44Å; R685-R689 PolarHBondContact O-N 2.78Å
686	Q	68.7	Low	66.1	Low	49 Å²	49	88.7 Å²	88.7	23%	0.229	42%	0.42	C	S	.	.	H	α-helix	trans	-64.8	-42.7	175.5	-174.8	-179.9	-12.8	0	0	111.6	L648 N682 L683 A684 D688 R689 M690	L648-Q686 HydrophobicContact CD2-CB 4.11Å; L648-Q686 HydrophobicContact CD2-CG 4.02Å; N682-Q686 PolarHBondContact O-N 3.18Å; L683-Q686 WeakPolarHBondContact O-CB 3.48Å; L683-Q686 PolarHBondContact O-N 2.86Å; A684-Q686 VanDerWaalsContact C-N 3.34Å; A684-Q686 PolarHBondContact O-N 3.37Å; Q686-D688 VanDerWaalsContact C-N 3.34Å; Q686-D688 PolarHBondContact O-N 2.75Å; Q686-R689 PolarHBondContact O-N 3.4Å; Q686-M690 WeakPolarHBondContact O-CB 3.4Å; Q686-M690 WeakPolarHBondContact O-CG 3.48Å; Q686-M690 PolarHBondContact O-N 3.43Å
687	R	71.4	Confident	66.4	Low	47 Å²	47	85.9 Å²	85.9	18%	0.177	41%	0.414	C	S	.	.	H	α-helix	trans	-57.7	-48.4	175	-173.3	-179.2	69.3	174.7	2	110.8	L648 M679 L683 A684 R689 M690 Q691	L648-R687 HydrophobicContact CB-CB 4.36Å; L648-R687 HydrophobicContact CB-CG 4.34Å; L648-R687 HydrophobicContact CD2-CB 4.13Å; M679-R687 HydrophobicContact CE-CB 3.93Å; M679-R687 HydrophobicContact CE-CG 4.49Å; L683-R687 WeakPolarHBondContact O-CB 3.5Å; L683-R687 PolarHBondContact O-N 2.95Å; A684-R687 WeakPolarHBondContact O-CB 3.4Å; A684-R687 PolarHBondContact O-N 2.67Å; R687-R689 PolarHBondContact O-N 2.97Å; R687-M690 PolarHBondContact O-N 2.87Å; R687-Q691 WeakPolarHBondContact O-CG 3.45Å; R687-Q691 PolarHBondContact O-N 2.81Å
688	D	71.1	Confident	66.4	Low	74 Å²	74	91 Å²	91	40%	0.396	43%	0.433	S	S	.	.	H	α-helix	trans	-65.1	-40.9	-179.9	-64.2	-12.7	0	0	0	111.3	A684 R685 Q686 Q691 Q692	A684-D688 VanDerWaalsContact O-CG 3.3Å; A684-D688 PolarHBondContact O-N 2.81Å; R685-D688 PolarHBondContact O-N 2.92Å; Q686-D688 VanDerWaalsContact C-N 3.34Å; Q686-D688 PolarHBondContact O-N 2.75Å; D688-Q691 PolarHBondContact O-N 2.79Å; D688-Q692 WeakPolarHBondContact O-CG 3.43Å; D688-Q692 PolarHBondContact O-N 2.85Å
689	R	72.3	Confident	66.8	Low	169 Å²	169	93.7 Å²	93.7	64%	0.638	43%	0.429	S	S	*	.	H	α-helix	trans	-62	-45	173.9	-76.5	175.5	-177.8	-174.7	0.4	112.4	R685 Q686 R687 Q691 Q692 M693	R685-R689 WeakPolarHBondContact O-CB 3.46Å; R685-R689 VanDerWaalsContact O-CG 3.26Å; R685-R689 WeakPolarHBondContact O-CG 3.44Å; R685-R689 PolarHBondContact O-N 2.78Å; Q686-R689 PolarHBondContact O-N 3.4Å; R687-R689 PolarHBondContact O-N 2.97Å; R689-Q691 VanDerWaalsContact C-N 3.32Å; R689-Q691 PolarHBondContact O-N 2.82Å; R689-Q692 PolarHBondContact O-N 2.67Å; R689-M693 WeakPolarHBondContact O-CB 3.27Å; R689-M693 WeakPolarHBondContact O-CG 3.42Å; R689-M693 PolarHBondContact O-N 2.81Å
690	M	69.8	Low	67.1	Low	13 Å²	13	94.7 Å²	94.7	6%	0.064	44%	0.437	C	S	.	.	H	α-helix	trans	-60.3	-43.7	176.3	-78.8	-175.7	68.2	0	0	111.1	P598 Y637 L648 Q686 R687 Q692 M693 Q694	P598-M690 HydrophobicContact CB-CE 4.29Å; P598-M690 HydrophobicContact CG-CE 3.64Å; Y637-M690 HydrophobicContact CD1-CE 4.34Å; Y637-M690 HydrophobicContact CE1-CE 4.22Å; Y637-M690 HydrophobicContact CE1-SD 4.17Å; L648-M690 HydrophobicContact CB-SD 3.95Å; Q686-M690 WeakPolarHBondContact O-CB 3.4Å; Q686-M690 WeakPolarHBondContact O-CG 3.48Å; Q686-M690 PolarHBondContact O-N 3.43Å; R687-M690 PolarHBondContact O-N 2.87Å; M690-Q692 PolarHBondContact O-N 3.44Å; M690-M693 PolarHBondContact O-N 2.83Å; M690-Q694 WeakPolarHBondContact O-CB 3.31Å; M690-Q694 VanDerWaalsContact O-CG 3.28Å; M690-Q694 WeakPolarHBondContact O-CG 3.46Å; M690-Q694 PolarHBondContact O-N 2.82Å
691	Q	70.4	Confident	67	Low	75 Å²	75	94.8 Å²	94.8	35%	0.35	43%	0.434	S	S	.	.	H	α-helix	trans	-61.1	-43.5	176	-72.1	179.7	7.3	0	0	111.8	R687 D688 R689 Q695	R687-Q691 WeakPolarHBondContact O-CG 3.45Å; R687-Q691 PolarHBondContact O-N 2.81Å; D688-Q691 PolarHBondContact O-N 2.79Å; R689-Q691 VanDerWaalsContact C-N 3.32Å; R689-Q691 PolarHBondContact O-N 2.82Å; Q691-Q695 WeakPolarHBondContact O-CB 3.2Å; Q691-Q695 VanDerWaalsContact O-CG 3.28Å; Q691-Q695 WeakPolarHBondContact O-CG 3.47Å; Q691-Q695 PolarHBondContact O-N 2.93Å
692	Q	68.8	Low	67	Low	119 Å²	119	91.1 Å²	91.1	56%	0.556	42%	0.422	S	S	*	.	H	α-helix	trans	-65.5	-46.4	176.9	-72.5	175.7	-2	0	0	112.3	D688 R689 M690 Q694 Q695 L696	D688-Q692 WeakPolarHBondContact O-CG 3.43Å; D688-Q692 PolarHBondContact O-N 2.85Å; R689-Q692 PolarHBondContact O-N 2.67Å; M690-Q692 PolarHBondContact O-N 3.44Å; Q692-Q694 PolarHBondContact O-N 3.35Å; Q692-Q695 PolarHBondContact O-N 3.32Å; Q692-L696 WeakPolarHBondContact O-CG 3.45Å; Q692-L696 PolarHBondContact O-N 2.94Å
693	M	66.7	Low	66.6	Low	116 Å²	116	89.9 Å²	89.9	57%	0.571	41%	0.414	S	S	*	.	H	α-helix	trans	-62	-42	178.1	-75.3	-156.6	-59.6	0	0	112	R689 M690 L696 H697	R689-M693 WeakPolarHBondContact O-CB 3.27Å; R689-M693 WeakPolarHBondContact O-CG 3.42Å; R689-M693 PolarHBondContact O-N 2.81Å; M690-M693 PolarHBondContact O-N 2.83Å; M693-L696 PolarHBondContact O-N 3.32Å; M693-H697 WeakPolarHBondContact O-CB 3.4Å; M693-H697 PolarHBondContact O-N 3.48Å
694	Q	66.1	Low	66.3	Low	46 Å²	46	96.4 Å²	96.4	22%	0.215	44%	0.437	C	S	.	.	H	α-helix	trans	-68.3	-36.8	177	-72.7	176	-3.7	0	0	112.5	W646 M690 Q692 H697 R698	W646-Q694 PolarHBondContact O-NE2 3.03Å; W646-Q694 PolarHBondContact O-OE1 3.34Å; M690-Q694 WeakPolarHBondContact O-CB 3.31Å; M690-Q694 VanDerWaalsContact O-CG 3.28Å; M690-Q694 WeakPolarHBondContact O-CG 3.46Å; M690-Q694 PolarHBondContact O-N 2.82Å; Q692-Q694 PolarHBondContact O-N 3.35Å; Q694-H697 PolarHBondContact O-N 3.29Å; Q694-R698 WeakPolarHBondContact O-CB 3.48Å; Q694-R698 PolarHBondContact O-N 3.05Å
695	Q	67	Low	66	Low	106 Å²	106	103.9 Å²	103.9	50%	0.495	46%	0.46	S	S	.	.	H	α-helix	trans	-62.9	-42.6	172.3	-78.2	178.8	1.8	0	0	111.7	Q691 Q692 R698 R699	Q691-Q695 WeakPolarHBondContact O-CB 3.2Å; Q691-Q695 VanDerWaalsContact O-CG 3.28Å; Q691-Q695 WeakPolarHBondContact O-CG 3.47Å; Q691-Q695 PolarHBondContact O-N 2.93Å; Q692-Q695 PolarHBondContact O-N 3.32Å; Q695-R698 PolarHBondContact O-N 3.38Å; Q695-R699 WeakPolarHBondContact O-CG 3.31Å; Q695-R699 PolarHBondContact O-N 2.77Å
696	L	64.9	Low	65.3	Low	102 Å²	102	102 Å²	102	53%	0.534	46%	0.457	S	S	.	.	H	α-helix	trans	-64.2	-48.2	175.3	-73.6	166.7	0	0	0	111.3	Q692 M693 R698 R699 T700	Q692-L696 WeakPolarHBondContact O-CG 3.45Å; Q692-L696 PolarHBondContact O-N 2.94Å; M693-L696 PolarHBondContact O-N 3.32Å; L696-R698 VanDerWaalsContact C-N 3.28Å; L696-R698 PolarHBondContact O-N 2.86Å; L696-R699 WeakPolarHBondContact O-CB 3.39Å; L696-R699 PolarHBondContact O-N 3.46Å; L696-R699 VanDerWaalsContact O-N 3.11Å; L696-T700 PolarHBondContact O-N 2.79Å; L696-T700 PolarHBondContact O-OG1 3.44Å
697	H	64.4	Low	64.6	Low	116 Å²	116	104.6 Å²	104.6	54%	0.537	47%	0.473	S	S	.	.	H	α-helix	trans	-57.9	-41.3	177.2	-172	76.3	0	0	0	111.6	M693 Q694 T700 L701	M693-H697 WeakPolarHBondContact O-CB 3.4Å; M693-H697 PolarHBondContact O-N 3.48Å; Q694-H697 PolarHBondContact O-N 3.29Å; H697-T700 WeakPolarHBondContact O-CB 3.3Å; H697-T700 PolarHBondContact O-N 2.72Å; H697-L701 VanDerWaalsContact CD2-CD1 3.46Å; H697-L701 WeakPolarHBondContact CD2-CD1 3.37Å; H697-L701 VanDerWaalsContact NE2-CD1 3.34Å; H697-L701 WeakPolarHBondContact NE2-CD1 3.3Å; H697-L701 WeakPolarHBondContact O-CB 3.47Å; H697-L701 WeakPolarHBondContact O-CG 3.38Å; H697-L701 PolarHBondContact O-N 3.27Å
698	R	62.3	Low	63.6	Low	187 Å²	187	108.3 Å²	108.3	71%	0.706	49%	0.492	S	S	*	.	H	α-helix	trans	-63	-45.3	174.3	-172.2	179.8	-179.6	-171.2	2.3	112.1	Q694 Q695 L696 T700 L701 T702	Q694-R698 WeakPolarHBondContact O-CB 3.48Å; Q694-R698 PolarHBondContact O-N 3.05Å; Q695-R698 PolarHBondContact O-N 3.38Å; L696-R698 VanDerWaalsContact C-N 3.28Å; L696-R698 PolarHBondContact O-N 2.86Å; R698-T700 VanDerWaalsContact C-N 3.27Å; R698-T700 PolarHBondContact O-N 3.23Å; R698-L701 PolarHBondContact O-N 3.38Å; R698-T702 WeakPolarHBondContact O-CB 3.33Å; R698-T702 PolarHBondContact O-N 2.92Å; R698-T702 PolarHBondContact O-OG1 3.29Å
699	R	64.4	Low	62.7	Low	169 Å²	169	107.9 Å²	107.9	64%	0.638	49%	0.494	S	S	*	.	H	α-helix	trans	-57.8	-44.1	175.2	-73.6	177.2	-179.5	-177.3	1	110.5	Q695 L696 T702 L703	Q695-R699 WeakPolarHBondContact O-CG 3.31Å; Q695-R699 PolarHBondContact O-N 2.77Å; L696-R699 WeakPolarHBondContact O-CB 3.39Å; L696-R699 PolarHBondContact O-N 3.46Å; L696-R699 VanDerWaalsContact O-N 3.11Å; R699-T702 PolarHBondContact O-N 3.26Å; R699-L703 WeakPolarHBondContact O-CB 3.37Å; R699-L703 WeakPolarHBondContact O-CD1 3.44Å; R699-L703 WeakPolarHBondContact O-CG 3.44Å; R699-L703 PolarHBondContact O-N 2.85Å
700	T	64.8	Low	61.8	Low	67 Å²	67	106.6 Å²	106.6	41%	0.411	50%	0.496	S	S	.	.	H	α-helix	trans	-64	-43.5	176.8	-52.9	0	0	0	0	112.7	L696 H697 R698 L703 R704	L696-T700 PolarHBondContact O-N 2.79Å; L696-T700 PolarHBondContact O-OG1 3.44Å; H697-T700 WeakPolarHBondContact O-CB 3.3Å; H697-T700 PolarHBondContact O-N 2.72Å; R698-T700 VanDerWaalsContact C-N 3.27Å; R698-T700 PolarHBondContact O-N 3.23Å; T700-L703 PolarHBondContact O-N 3.16Å; T700-R704 WeakPolarHBondContact O-CB 3.43Å; T700-R704 WeakPolarHBondContact O-CG 3.1Å; T700-R704 PolarHBondContact O-N 3.31Å
701	L	61.4	Low	61	Low	65 Å²	65	112.2 Å²	112.2	34%	0.34	53%	0.525	S	S	.	.	H	α-helix	trans	-65.6	-39.1	175.6	-76.5	176	0	0	0	112.2	H697 R698 R704 R705	H697-L701 VanDerWaalsContact CD2-CD1 3.46Å; H697-L701 WeakPolarHBondContact CD2-CD1 3.37Å; H697-L701 VanDerWaalsContact NE2-CD1 3.34Å; H697-L701 WeakPolarHBondContact NE2-CD1 3.3Å; H697-L701 WeakPolarHBondContact O-CB 3.47Å; H697-L701 WeakPolarHBondContact O-CG 3.38Å; H697-L701 PolarHBondContact O-N 3.27Å; R698-L701 PolarHBondContact O-N 3.38Å; L701-R704 PolarHBondContact O-N 3.46Å; L701-R705 WeakPolarHBondContact O-CB 3.43Å; L701-R705 WeakPolarHBondContact O-CG 3.5Å; L701-R705 PolarHBondContact O-N 3.05Å
702	T	64.2	Low	59.7	Low	69 Å²	69	116.8 Å²	116.8	42%	0.423	55%	0.546	S	S	.	.	H	α-helix	trans	-66.5	-42.4	177.3	-42.9	0	0	0	0	110.2	R698 R699 R705 Q706	R698-T702 WeakPolarHBondContact O-CB 3.33Å; R698-T702 PolarHBondContact O-N 2.92Å; R698-T702 PolarHBondContact O-OG1 3.29Å; R699-T702 PolarHBondContact O-N 3.26Å; T702-R705 PolarHBondContact O-N 3.44Å; T702-Q706 WeakPolarHBondContact O-CB 3.5Å; T702-Q706 WeakPolarHBondContact O-CG 3.44Å; T702-Q706 PolarHBondContact O-N 3.42Å
703	L	60.7	Low	58.4	Low	98 Å²	98	119 Å²	119	51%	0.513	57%	0.573	S	S	.	*	H	α-helix	trans	-63.8	-41.4	173.4	-73.9	166.5	0	0	0	112.1	R699 T700 Q706 L707	R699-L703 WeakPolarHBondContact O-CB 3.37Å; R699-L703 WeakPolarHBondContact O-CD1 3.44Å; R699-L703 WeakPolarHBondContact O-CG 3.44Å; R699-L703 PolarHBondContact O-N 2.85Å; T700-L703 PolarHBondContact O-N 3.16Å; L703-Q706 PolarHBondContact O-N 2.92Å; L703-L707 WeakPolarHBondContact O-CB 3.35Å; L703-L707 PolarHBondContact O-N 2.8Å
704	R	58.2	Low	57.9	Low	163 Å²	163	119.2 Å²	119.2	62%	0.615	57%	0.573	S	S	*	*	H	α-helix	trans	-64.3	-42.4	175.3	-80.6	-176.9	179.3	178.4	-0.2	112.4	T700 L701 L707 Q708	T700-R704 WeakPolarHBondContact O-CB 3.43Å; T700-R704 WeakPolarHBondContact O-CG 3.1Å; T700-R704 PolarHBondContact O-N 3.31Å; L701-R704 PolarHBondContact O-N 3.46Å; R704-L707 PolarHBondContact O-N 3.1Å; R704-Q708 PolarHBondContact O-N 2.84Å
705	R	59.3	Low	57.5	Low	183 Å²	183	123 Å²	123	69%	0.691	59%	0.592	S	S	*	*	H	α-helix	trans	-66	-38.4	175.2	-75	179.6	-179.6	-178	-0	111.9	L701 T702 Q708 S709	L701-R705 WeakPolarHBondContact O-CB 3.43Å; L701-R705 WeakPolarHBondContact O-CG 3.5Å; L701-R705 PolarHBondContact O-N 3.05Å; T702-R705 PolarHBondContact O-N 3.44Å; R705-Q708 PolarHBondContact O-N 3.29Å; R705-S709 WeakPolarHBondContact O-CB 3.42Å; R705-S709 PolarHBondContact O-N 2.72Å; R705-S709 PolarHBondContact O-OG 2.79Å
706	Q	55.3	Low	57	Low	108 Å²	108	123.9 Å²	123.9	51%	0.505	60%	0.597	S	S	.	*	H	α-helix	trans	-63.5	-43.8	171.9	-80.5	-179.5	-29.7	0	0	111.8	T702 L703 S709 Q710	T702-Q706 WeakPolarHBondContact O-CB 3.5Å; T702-Q706 WeakPolarHBondContact O-CG 3.44Å; T702-Q706 PolarHBondContact O-N 3.42Å; L703-Q706 PolarHBondContact O-N 2.92Å; Q706-S709 WeakPolarHBondContact CA-OG 3.49Å; Q706-S709 PolarHBondContact O-N 3.1Å; Q706-S709 PolarHBondContact O-OG 2.98Å; Q706-Q710 WeakPolarHBondContact O-CG 3.44Å; Q706-Q710 PolarHBondContact O-N 2.84Å
707	L	53.1	Low	56.5	Low	105 Å²	105	125.2 Å²	125.2	55%	0.55	60%	0.601	S	S	.	*	H	α-helix	trans	-63.2	-43.7	175.2	-113.4	98.5	0	0	0	112.1	L703 R704 Q710 I711	L703-L707 WeakPolarHBondContact O-CB 3.35Å; L703-L707 PolarHBondContact O-N 2.8Å; R704-L707 PolarHBondContact O-N 3.1Å; L707-Q710 PolarHBondContact O-N 3.3Å; L707-I711 WeakPolarHBondContact O-CD1 3.43Å; L707-I711 VanDerWaalsContact O-CG1 3.26Å; L707-I711 WeakPolarHBondContact O-CG1 3.26Å; L707-I711 PolarHBondContact O-N 3.11Å; L707-I711 VanDerWaalsContact O-N 3.11Å
708	Q	50.4	Low	56	Low	125 Å²	125	125.8 Å²	125.8	58%	0.584	61%	0.605	S	S	*	*	H	α-helix	trans	-62.8	-42	176	-84.6	176.5	-40.3	0	0	111.8	R704 R705 Q710 I711 E712	R704-Q708 PolarHBondContact O-N 2.84Å; R705-Q708 PolarHBondContact O-N 3.29Å; Q708-Q710 PolarHBondContact O-N 3.2Å; Q708-I711 PolarHBondContact O-N 2.99Å; Q708-I711 VanDerWaalsContact O-N 3.1Å; Q708-E712 PolarHBondContact O-N 3.11Å; Q708-E712 VanDerWaalsContact O-N 3.11Å
709	S	52.8	Low	55.6	Low	64 Å²	64	121.7 Å²	121.7	45%	0.448	60%	0.598	S	S	.	*	H	α-helix	trans	-66.1	-24.1	175.6	68.3	0	0	0	0	113.9	R705 Q706	R705-S709 WeakPolarHBondContact O-CB 3.42Å; R705-S709 PolarHBondContact O-N 2.72Å; R705-S709 PolarHBondContact O-OG 2.79Å; Q706-S709 WeakPolarHBondContact CA-OG 3.49Å; Q706-S709 PolarHBondContact O-N 3.1Å; Q706-S709 PolarHBondContact O-OG 2.98Å
710	Q	52.6	Low	55	Low	142 Å²	142	118.4 Å²	118.4	66%	0.664	60%	0.595	S	S	*	*	H	α-helix	trans	-84.6	-16	174.2	-75.5	-178.7	-5.3	0	0	113.3	Q706 L707 Q708	Q706-Q710 WeakPolarHBondContact O-CG 3.44Å; Q706-Q710 PolarHBondContact O-N 2.84Å; L707-Q710 PolarHBondContact O-N 3.3Å; Q708-Q710 PolarHBondContact O-N 3.2Å
711	I	52.9	Low	54.2	Low	131 Å²	131	122.3 Å²	122.3	67%	0.672	61%	0.609	S	S	*	*	H	α-helix	trans	-91.3	-20.9	175.5	-66.7	163.9	0	0	0	110.7	L707 Q708	L707-I711 WeakPolarHBondContact O-CD1 3.43Å; L707-I711 VanDerWaalsContact O-CG1 3.26Å; L707-I711 WeakPolarHBondContact O-CG1 3.26Å; L707-I711 PolarHBondContact O-N 3.11Å; L707-I711 VanDerWaalsContact O-N 3.11Å; Q708-I711 PolarHBondContact O-N 2.99Å; Q708-I711 VanDerWaalsContact O-N 3.1Å
712	E	44.5	Very low	53.6	Low	172 Å²	172	127.1 Å²	127.1	80%	0.804	63%	0.632	S	S	*	*			trans	-91.8	-0.9	176	-72.7	-179.1	168	0	0	114.5	Q708	Q708-E712 PolarHBondContact O-N 3.11Å; Q708-E712 VanDerWaalsContact O-N 3.11Å
713	C	39.4	Very low	52.7	Low	165 Å²	165	132.4 Å²	132.4	100%	1.115	65%	0.651	S	S	*	*			trans	-104.2	0	165.8	-81.7	0	0	0	0	109.5

Retrieved 713 of 713 residues in 4299.7 ms (Link to these results)

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