A0A087YJE8_POEFO Loading...

Putative pyruvate dehydrogenase phosphatase isoenzyme 2

AlphaFold DB , UniProt , Accession A0A087YJE8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 527 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	35.4	Very low	32.9	Very low	235 Å²	235	151.1 Å²	151.1	100%	1.158	73%	0.725	S	S	*	*				0	44.3	0	-78.4	-171.5	-173.3	0	0	111.5
2	Y	28.3	Very low	33.1	Very low	231 Å²	231	155.7 Å²	155.7	91%	0.906	73%	0.729	S	S	*	*			trans	-109	23.1	-175.7	-82.1	-86.5	0	0	0	113.4
3	G	28.1	Very low	33.1	Very low	64 Å²	64	149.8 Å²	149.8	66%	0.66	72%	0.724	S	S	*	*	S	Bend	trans	-101.2	2.2	-176	0	0	0	0	0	115.6
4	R	30.2	Very low	32.9	Very low	221 Å²	221	152.1 Å²	152.1	83%	0.834	73%	0.73	S	S	*	*	S	Bend	trans	-103.4	-12.5	-173.8	-72.5	-172.9	-174.8	-178.3	2.1	115
5	V	37.2	Very low	32.7	Very low	110 Å²	110	148.4 Å²	148.4	67%	0.667	73%	0.726	S	S	*	*	S	Bend	trans	-81.8	-39.8	-179.5	-175.6	0	0	0	0	111.2	S7 R8	V5-S7 VanDerWaalsContact C-N 3.27Å; V5-S7 PolarHBondContact O-N 3.02Å; V5-R8 PolarHBondContact O-N 3.01Å; V5-R8 VanDerWaalsContact O-N 3.12Å
6	Y	32.1	Very low	32.5	Very low	158 Å²	158	152.4 Å²	152.4	62%	0.62	73%	0.732	S	S	*	*	H	α-helix	trans	-65.4	-25.5	178.5	-114.3	-90.7	0	0	0	114.3	R8 E483	Y6-R8 VanDerWaalsContact C-N 3.27Å; Y6-R8 PolarHBondContact O-N 3.49Å; Y6-E483 PolarHBondContact OH-OE1 2.94Å
7	S	29.3	Very low	32.2	Very low	74 Å²	74	155.4 Å²	155.4	52%	0.517	74%	0.741	S	S	.	*	H	α-helix	trans	-71.4	-18.3	176.2	-175.9	0	0	0	0	113.4	V5	V5-S7 VanDerWaalsContact C-N 3.27Å; V5-S7 PolarHBondContact O-N 3.02Å
8	R	38.3	Very low	31.9	Very low	184 Å²	184	155.2 Å²	155.2	69%	0.694	74%	0.744	S	S	*	*	H	α-helix	trans	-84.6	-26.3	-177	-75.4	-175.5	173.3	-174	-3.2	113.4	V5 Y6	V5-R8 PolarHBondContact O-N 3.01Å; V5-R8 VanDerWaalsContact O-N 3.12Å; Y6-R8 VanDerWaalsContact C-N 3.27Å; Y6-R8 PolarHBondContact O-N 3.49Å
9	I	38.5	Very low	31.5	Very low	120 Å²	120	156.9 Å²	156.9	62%	0.615	75%	0.748	S	S	*	*	H	α-helix	trans	-73.5	-41.4	176.8	-61.5	175.5	0	0	0	110.7	H11 R12	I9-H11 VanDerWaalsContact C-N 3.29Å; I9-H11 PolarHBondContact O-N 3.22Å; I9-R12 PolarHBondContact O-N 3.24Å
10	L	32.5	Very low	31.3	Very low	130 Å²	130	155.5 Å²	155.5	68%	0.681	75%	0.75	S	S	*	*	H	α-helix	trans	-68.5	-25	176.9	-76.9	164.9	0	0	0	113.5
11	H	31.8	Very low	31.1	Very low	135 Å²	135	158.1 Å²	158.1	63%	0.625	75%	0.753	S	S	*	*	H	α-helix	trans	-79	-21.1	178.4	-125.1	-73.1	0	0	0	113.7	I9 A13	I9-H11 VanDerWaalsContact C-N 3.29Å; I9-H11 PolarHBondContact O-N 3.22Å; H11-A13 VanDerWaalsContact C-N 3.33Å
12	R	36.1	Very low	30.6	Very low	206 Å²	206	158.4 Å²	158.4	78%	0.777	74%	0.741	S	S	*	*	H	α-helix	trans	-71.7	-23.9	174.6	-86.9	-175.3	171.4	178.6	-0.7	113.1	I9	I9-R12 PolarHBondContact O-N 3.24Å
13	A	32.7	Very low	30.6	Very low	80 Å²	80	157.5 Å²	157.5	66%	0.661	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-16.3	-179.8	0	0	0	0	0	114.6	H11	H11-A13 VanDerWaalsContact C-N 3.33Å
14	F	30.5	Very low	30.5	Very low	182 Å²	182	160.7 Å²	160.7	80%	0.798	75%	0.749	S	S	*	*	S	Bend	trans	-106.1	1.2	-169.4	-95.6	-78.3	0	0	0	116.7
15	S	30.1	Very low	30.5	Very low	96 Å²	96	155.8 Å²	155.8	67%	0.671	75%	0.745	S	S	*	*			trans	-104.6	1.2	-175.4	-62.3	0	0	0	0	116.2	K17	S15-K17 PolarHBondContact O-N 3.42Å
16	Y	28.7	Very low	29.9	Very low	212 Å²	212	160.7 Å²	160.7	83%	0.831	76%	0.758	S	S	*	*			trans	-85.9	85.7	170.1	-77.2	-80.4	0	0	0	111.2	L18	Y16-L18 PolarHBondContact O-N 3.32Å
17	K	27	Very low	29.6	Very low	204 Å²	204	162 Å²	162	89%	0.887	77%	0.77	S	S	*	*			trans	-80.9	99.7	160.2	-84.1	-172.9	178.2	178	0	109.1	S15 K19	S15-K17 PolarHBondContact O-N 3.42Å; K17-K19 PolarHBondContact O-N 3.11Å
18	L	27.5	Very low	29.4	Very low	151 Å²	151	165 Å²	165	79%	0.791	79%	0.785	S	S	*	*			trans	-59.2	116.1	164	-104.5	95.1	0	0	0	109.7	Y16 V20	Y16-L18 PolarHBondContact O-N 3.32Å; L18-V20 PolarHBondContact O-N 3.33Å
19	K	25.1	Very low	28.8	Very low	189 Å²	189	160.4 Å²	160.4	82%	0.822	79%	0.787	S	S	*	*			trans	-75.3	102.2	161.2	-90.6	178.9	176	174.2	0	108.1	K17 Y21	K17-K19 PolarHBondContact O-N 3.11Å; K19-Y21 PolarHBondContact O-N 3.44Å
20	V	27.3	Very low	28.2	Very low	128 Å²	128	162.1 Å²	162.1	78%	0.776	80%	0.796	S	S	*	*			trans	-72.5	113.4	172.1	178.5	0	0	0	0	109.1	L18	L18-V20 PolarHBondContact O-N 3.33Å
21	Y	26.5	Very low	27.7	Very low	210 Å²	210	163.1 Å²	163.1	82%	0.824	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-77.7	133.9	166.8	-86.6	-91.9	0	0	0	110.4	K19	K19-Y21 PolarHBondContact O-N 3.44Å
22	R	24.8	Very low	27.3	Very low	242 Å²	242	162.4 Å²	162.4	91%	0.913	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-67.1	134.6	-176.9	-82.2	177.7	168.1	175.7	-4	112.1
23	K	27.8	Very low	27.1	Very low	211 Å²	211	157.9 Å²	157.9	92%	0.917	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-61.8	136.4	167.5	-78.8	179.6	173.1	178.8	0	111.8
24	V	27	Very low	26.8	Very low	132 Å²	132	163.7 Å²	163.7	80%	0.8	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-86.2	141.3	166.8	-176.8	0	0	0	0	108.7
25	P	29.3	Very low	26.5	Very low	117 Å²	117	159.6 Å²	159.6	76%	0.76	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-86.6	139.1	-175.3	32.9	-30.6	0	0	0	112.7
26	F	24.5	Very low	26.2	Very low	214 Å²	214	159.6 Å²	159.6	94%	0.939	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-80.4	129.9	169.8	-114.5	-97.3	0	0	0	110.2
27	Q	25.8	Very low	25.9	Very low	186 Å²	186	161.4 Å²	161.4	87%	0.869	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-101.9	143	167.6	-91.3	-178.4	-21.1	0	0	111
28	T	26.1	Very low	25.6	Very low	136 Å²	136	156.9 Å²	156.9	83%	0.834	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-79.4	149.3	-179.3	44.9	0	0	0	0	114.7
29	A	25.1	Very low	26.7	Very low	88 Å²	88	155.2 Å²	155.2	73%	0.727	81%	0.811	S	S	*	*			trans	170.3	112.6	138.3	0	0	0	0	0	109.6
30	L	25.7	Very low	26.6	Very low	155 Å²	155	151.4 Å²	151.4	81%	0.812	81%	0.808	S	S	*	*				101.6	108.8	87.3	-88.5	162.9	0	0	0	113
31	N	23.6	Very low	26.6	Very low	151 Å²	151	157 Å²	157	81%	0.807	82%	0.815	S	S	*	*				163.2	121.1	111.3	-86.4	-21.5	0	0	0	112.5
32	C	23.2	Very low	26.6	Very low	121 Å²	121	151.6 Å²	151.6	82%	0.818	81%	0.808	S	S	*	*			trans	-79.1	170.8	158.8	-60.3	0	0	0	0	110.2
33	P	32.1	Very low	26.6	Very low	111 Å²	111	146.8 Å²	146.8	72%	0.721	80%	0.8	S	S	*	*				-146.9	148.4	85.3	22.4	0.9	0	0	0	118
34	F	25.4	Very low	26.6	Very low	202 Å²	202	145.6 Å²	145.6	89%	0.886	80%	0.798	S	S	*	*			trans	54.9	145.9	141.1	-73.8	-87.6	0	0	0	120.9
35	S	24.1	Very low	26.5	Very low	96 Å²	96	145.4 Å²	145.4	67%	0.671	80%	0.802	S	S	*	*			cis	-162.1	124.9	36.7	51.3	0	0	0	0	111.3
36	S	23.7	Very low	26.2	Very low	95 Å²	95	149 Å²	149	66%	0.664	81%	0.807	S	S	*	*				58.2	125.9	107.7	72.6	0	0	0	0	119.1
37	W	22.4	Very low	26.2	Very low	250 Å²	250	145.2 Å²	145.2	95%	0.947	81%	0.805	S	S	*	*				-176.5	143.1	123.7	-101.4	41.7	0	0	0	111.1
38	S	21.8	Very low	26.2	Very low	109 Å²	109	142.8 Å²	142.8	76%	0.762	80%	0.803	S	S	*	*			trans	-150	-171.5	177	51.6	0	0	0	0	107.8
39	P	49.7	Very low	26.1	Very low	117 Å²	117	140.1 Å²	140.1	76%	0.76	80%	0.802	S	S	*	*				-133	-179	-73.5	39.5	-22.9	0	0	0	113.3
40	S	23.1	Very low	26.2	Very low	109 Å²	109	144.7 Å²	144.7	76%	0.762	81%	0.809	S	S	*	*			trans	-170.4	122.3	156.1	46.6	0	0	0	0	112.4
41	R	26.7	Very low	26.3	Very low	246 Å²	246	145.5 Å²	145.5	93%	0.928	81%	0.808	S	S	*	*				69.8	140.4	98	-78.1	-170.3	-178.8	-156	1.1	114.5
42	S	26.4	Very low	26.4	Very low	96 Å²	96	144.3 Å²	144.3	67%	0.671	81%	0.812	S	S	*	*			cis	-176.7	162.9	31.4	31.6	0	0	0	0	113.5
43	D	26.4	Very low	26.5	Very low	140 Å²	140	141.8 Å²	141.8	75%	0.749	81%	0.807	S	S	*	*			trans	62.7	118	142.4	-59.1	-14.6	0	0	0	122.6
44	Q	26.8	Very low	26.2	Very low	186 Å²	186	143.4 Å²	143.4	87%	0.869	81%	0.814	S	S	*	*				77.4	119.7	76.8	-82.3	-164.8	7.7	0	0	116.7
45	S	24.4	Very low	26.1	Very low	128 Å²	128	145.4 Å²	145.4	90%	0.895	82%	0.816	S	S	*	*			trans	-168.5	144.6	130.2	51.8	0	0	0	0	112.9
46	F	23.9	Very low	26.2	Very low	194 Å²	194	147.3 Å²	147.3	85%	0.851	82%	0.823	S	S	*	*			trans	-97.2	155.6	-176.7	-113.4	-102.5	0	0	0	110.7
47	C	23.5	Very low	26.3	Very low	134 Å²	134	154.8 Å²	154.8	91%	0.905	84%	0.837	S	S	*	*			trans	-162.1	147	143.6	-101.7	0	0	0	0	111.9
48	T	26.3	Very low	26.3	Very low	135 Å²	135	148.1 Å²	148.1	83%	0.828	83%	0.829	S	S	*	*			trans	-100.1	160.5	-157.2	43.9	0	0	0	0	115.4
49	G	24.7	Very low	26.4	Very low	79 Å²	79	147.8 Å²	147.8	81%	0.814	83%	0.825	S	S	*	*			trans	-178.2	107	162.1	0	0	0	0	0	114
50	E	26.5	Very low	25.2	Very low	185 Å²	185	147 Å²	147	86%	0.864	82%	0.822	S	S	*	*			trans	-55	168.7	167	-68.2	167.5	159.1	0	0	112.7
51	E	27	Very low	25.3	Very low	172 Å²	172	150 Å²	150	80%	0.804	82%	0.823	S	S	*	*			cis	-169.7	146.8	-4.5	-115.5	-174.8	174	0	0	104.9
52	S	26.9	Very low	25.2	Very low	125 Å²	125	147 Å²	147	87%	0.874	82%	0.817	S	S	*	*			trans	168.9	112.4	138.7	42.6	0	0	0	0	110.2
53	G	24.7	Very low	25.2	Very low	69 Å²	69	147.9 Å²	147.9	71%	0.711	82%	0.824	S	S	*	*			trans	-86	153.3	174.2	0	0	0	0	0	112.5
54	V	25.5	Very low	25.6	Very low	144 Å²	144	147 Å²	147	87%	0.873	82%	0.823	S	S	*	*				-161.4	131.3	123.4	166	0	0	0	0	107.7
55	W	23.9	Very low	25.9	Very low	244 Å²	244	147.2 Å²	147.2	92%	0.924	82%	0.816	S	S	*	*			trans	-73.5	132	-178.6	-76	49.4	0	0	0	112.4
56	T	25.2	Very low	26.2	Very low	136 Å²	136	150.1 Å²	150.1	83%	0.834	82%	0.815	S	S	*	*			trans	-136.9	135.6	150.2	36.2	0	0	0	0	110.3	S58	T56-S58 PolarHBondContact O-N 2.89Å
57	R	26.2	Very low	26.6	Very low	252 Å²	252	146.2 Å²	146.2	95%	0.951	80%	0.803	S	S	*	*			trans	-57.6	114.5	-167.6	-70	167.7	171	174.6	-4	112.4	C59	R57-C59 PolarHBondContact O-N 3.01Å
58	S	23	Very low	27.2	Very low	110 Å²	110	145.9 Å²	145.9	77%	0.769	79%	0.792	S	S	*	*			trans	-84.1	104	163.6	-151.5	0	0	0	0	108.8	T56 C60	T56-S58 PolarHBondContact O-N 2.89Å; S58-C60 PolarHBondContact O-N 3.26Å
59	C	24.7	Very low	27.8	Very low	102 Å²	102	146.2 Å²	146.2	69%	0.689	79%	0.789	S	S	*	*			trans	-76.3	101.2	161.9	-172.1	0	0	0	0	106.3	R57 H61	R57-C59 PolarHBondContact O-N 3.01Å; C59-H61 VanDerWaalsContact C-N 3.31Å; C59-H61 PolarHBondContact O-N 3.27Å
60	C	23.9	Very low	29	Very low	102 Å²	102	149.7 Å²	149.7	69%	0.689	78%	0.782	S	S	*	*			trans	-66.2	93.2	169.3	-62.2	0	0	0	0	108.3	S58 F62	S58-C60 PolarHBondContact O-N 3.26Å; C60-F62 PolarHBondContact O-N 3.13Å
61	H	24.9	Very low	30.3	Very low	171 Å²	171	148 Å²	148	79%	0.792	77%	0.774	S	S	*	*			trans	-72.3	109.6	156.9	-95.1	21.4	0	0	0	107.7	C59 S63	C59-H61 VanDerWaalsContact C-N 3.31Å; C59-H61 PolarHBondContact O-N 3.27Å; H61-S63 PolarHBondContact O-N 3.2Å; H61-S63 VanDerWaalsContact O-N 3.11Å
62	F	24.8	Very low	32	Very low	183 Å²	183	141.9 Å²	141.9	80%	0.803	75%	0.745	S	S	*	*			trans	-50.1	111.9	162.5	-90.5	-100.6	0	0	0	108.8	C60 T64	C60-F62 PolarHBondContact O-N 3.13Å; F62-T64 PolarHBondContact O-N 2.69Å
63	S	27.2	Very low	34.3	Very low	115 Å²	115	138.5 Å²	138.5	80%	0.804	72%	0.721	S	S	*	*			trans	-72.9	82.4	165.7	173.4	0	0	0	0	108.4	H61	H61-S63 PolarHBondContact O-N 3.2Å; H61-S63 VanDerWaalsContact O-N 3.11Å
64	T	34.5	Very low	36.7	Very low	120 Å²	120	140.1 Å²	140.1	74%	0.736	71%	0.713	S	S	*	*			trans	-95.9	80	163.2	51.9	0	0	0	0	108.5	F62	F62-T64 PolarHBondContact O-N 2.69Å
65	R	32.3	Very low	39.4	Very low	192 Å²	192	138.6 Å²	138.6	73%	0.725	70%	0.704	S	S	*	*			trans	-170.9	79.6	158	-114.3	-177.2	172.4	167.2	0.4	108	D67	R65-D67 WeakPolarHBondContact CD-OD1 3.39Å; R65-D67 WeakPolarHBondContact CG-OD1 3.37Å; R65-D67 IonicContact NE-OD1 3.38Å; R65-D67 PolarHBondContact NE-OD1 3.09Å; R65-D67 PolarHBondContact O-N 2.8Å; R65-D67 VanDerWaalsContact O-N 3.07Å
66	E	30.8	Very low	42.3	Very low	188 Å²	188	131.9 Å²	131.9	88%	0.879	68%	0.683	S	S	*	*			trans	-69.8	86	144.8	-75	175.6	160.2	0	0	104.9	L68	E66-L68 PolarHBondContact O-N 2.94Å
67	D	32.5	Very low	45.2	Very low	112 Å²	112	125.4 Å²	125.4	60%	0.599	64%	0.643	S	S	*	*			trans	-62.9	99.5	161.8	-76.3	-35.7	0	0	0	104.9	R65 D69	R65-D67 WeakPolarHBondContact CD-OD1 3.39Å; R65-D67 WeakPolarHBondContact CG-OD1 3.37Å; R65-D67 IonicContact NE-OD1 3.38Å; R65-D67 PolarHBondContact NE-OD1 3.09Å; R65-D67 PolarHBondContact O-N 2.8Å; R65-D67 VanDerWaalsContact O-N 3.07Å; D67-D69 PolarHBondContact O-N 3.13Å
68	L	36.1	Very low	48.2	Very low	128 Å²	128	115.2 Å²	115.2	67%	0.67	61%	0.608	S	S	*	*			trans	-56.7	105.7	170.5	-77.4	160.3	0	0	0	106.8	E66 F70	E66-L68 PolarHBondContact O-N 2.94Å; L68-F70 HydrophobicContact CB-CD2 3.66Å; L68-F70 HydrophobicContact CB-CE2 3.34Å; L68-F70 HydrophobicContact CB-CZ 4.12Å; L68-F70 HydrophobicContact CD1-CE2 3.76Å; L68-F70 HydrophobicContact CD1-CZ 4.11Å; L68-F70 HydrophobicContact CG-CE2 4.1Å; L68-F70 WeakPolarHBondContact O-CD2 3.26Å; L68-F70 PolarHBondContact O-N 3.44Å
69	D	39.6	Very low	51.4	Low	142 Å²	142	114 Å²	114	76%	0.759	60%	0.599	S	S	*	*			trans	-73.5	76.1	-176.9	-135.6	-3.8	0	0	0	108.7	D67 Q71	D67-D69 PolarHBondContact O-N 3.13Å; D69-Q71 PolarHBondContact O-N 2.88Å; D69-Q71 VanDerWaalsContact O-N 3.12Å
70	F	48.4	Very low	54.6	Low	151 Å²	151	111.8 Å²	111.8	66%	0.662	58%	0.58	S	S	*	*			trans	-75.6	20.1	175.1	-73.1	-75.6	0	0	0	112.4	L68 Q72	L68-F70 HydrophobicContact CB-CD2 3.66Å; L68-F70 HydrophobicContact CB-CE2 3.34Å; L68-F70 HydrophobicContact CB-CZ 4.12Å; L68-F70 HydrophobicContact CD1-CE2 3.76Å; L68-F70 HydrophobicContact CD1-CZ 4.11Å; L68-F70 HydrophobicContact CG-CE2 4.1Å; L68-F70 WeakPolarHBondContact O-CD2 3.26Å; L68-F70 PolarHBondContact O-N 3.44Å; F70-Q72 PolarHBondContact O-N 2.6Å
71	Q	54.9	Low	57.9	Low	151 Å²	151	107 Å²	107	71%	0.706	55%	0.548	S	S	*	.			trans	-77.4	91.4	176.1	-71.7	-162.4	-20.2	0	0	109.6	D69 S73	D69-Q71 PolarHBondContact O-N 2.88Å; D69-Q71 VanDerWaalsContact O-N 3.12Å; Q71-S73 PolarHBondContact O-N 3.26Å
72	Q	61.6	Low	61.2	Low	42 Å²	42	103.6 Å²	103.6	20%	0.196	53%	0.528	C	S	.	.			trans	-53.5	128.1	166.5	-70.4	-173.1	-4.6	0	0	109.1	F70 Q76 I77 L496 A497	F70-Q72 PolarHBondContact O-N 2.6Å; Q72-Q76 HydrophobicContact CB-CB 4.36Å; Q72-I77 HydrophobicContact CB-CD1 4.19Å; Q72-I77 HydrophobicContact CB-CG1 3.86Å; Q72-L496 PolarHBondContact NE2-O 3.46Å; Q72-A497 HydrophobicContact CG-CB 4.34Å
73	S	75.7	Confident	64.5	Low	54 Å²	54	97.6 Å²	97.6	38%	0.378	51%	0.508	S	S	.	.			trans	-61.7	152.7	172.7	66.3	0	0	0	0	110.4	Q71 V75 Q76 I77	Q71-S73 PolarHBondContact O-N 3.26Å; S73-V75 PolarHBondContact O-N 2.9Å; S73-Q76 PolarHBondContact O-N 2.79Å; S73-Q76 WeakPolarHBondContact OG-CG 3.24Å; S73-Q76 PolarHBondContact OG-N 3.12Å; S73-Q76 PolarHBondContact OG-OE1 2.91Å; S73-Q76 VanDerWaalsContact OG-OE1 3.12Å; S73-I77 PolarHBondContact O-N 2.82Å; S73-I77 VanDerWaalsContact O-N 3.1Å
74	L	75.6	Confident	67.8	Low	104 Å²	104	93.1 Å²	93.1	55%	0.545	48%	0.475	S	S	.	.	H	α-helix	trans	-50.9	-32.2	172.5	-75.8	166.5	0	0	0	112.7	N78 Q489	L74-N78 WeakPolarHBondContact O-CB 3.47Å; L74-N78 PolarHBondContact O-N 2.78Å; L74-N78 VanDerWaalsContact O-N 3.09Å; L74-N78 PolarHBondContact O-ND2 3.45Å; L74-N78 VanDerWaalsContact O-ND2 3.13Å; L74-Q489 VanDerWaalsContact CD2-CD 3.41Å; L74-Q489 HydrophobicContact CD2-CG 3.96Å
75	V	80.9	Confident	70.7	Confident	112 Å²	112	89.7 Å²	89.7	68%	0.679	45%	0.451	S	S	*	.	H	α-helix	trans	-67.8	-44.8	177.8	-179.8	0	0	0	0	111.2	S73 N78 S79	S73-V75 PolarHBondContact O-N 2.9Å; V75-N78 PolarHBondContact O-N 2.98Å; V75-S79 WeakPolarHBondContact O-CB 3.45Å; V75-S79 PolarHBondContact O-N 3.26Å
76	Q	85.1	Confident	73.9	Confident	102 Å²	102	81.5 Å²	81.5	48%	0.477	42%	0.421	S	S	.	.	H	α-helix	trans	-64.3	-45.9	177.9	-74.9	163.3	-37.3	0	0	111.6	Q72 S73 N78 S79 I80	Q72-Q76 HydrophobicContact CB-CB 4.36Å; S73-Q76 PolarHBondContact O-N 2.79Å; S73-Q76 WeakPolarHBondContact OG-CG 3.24Å; S73-Q76 PolarHBondContact OG-N 3.12Å; S73-Q76 PolarHBondContact OG-OE1 2.91Å; S73-Q76 VanDerWaalsContact OG-OE1 3.12Å; Q76-N78 VanDerWaalsContact C-N 3.31Å; Q76-N78 PolarHBondContact O-N 3.09Å; Q76-S79 WeakPolarHBondContact O-CB 3.27Å; Q76-S79 PolarHBondContact O-N 3.42Å; Q76-S79 VanDerWaalsContact O-N 3.07Å; Q76-I80 WeakPolarHBondContact O-CG1 3.31Å; Q76-I80 PolarHBondContact O-N 2.78Å
77	I	86.6	Confident	77	Confident	1 Å²	1	75.8 Å²	75.8	1%	0.005	40%	0.399	C	S	.	.	H	α-helix	trans	-56.7	-47.5	176.6	-70	168.6	0	0	0	110.8	Q72 S73 S79 I80 L81 L492 A493 L496	Q72-I77 HydrophobicContact CB-CD1 4.19Å; Q72-I77 HydrophobicContact CB-CG1 3.86Å; S73-I77 PolarHBondContact O-N 2.82Å; S73-I77 VanDerWaalsContact O-N 3.1Å; I77-S79 VanDerWaalsContact C-N 3.31Å; I77-S79 PolarHBondContact O-N 2.98Å; I77-I80 PolarHBondContact O-N 2.88Å; I77-L81 HydrophobicContact CG2-CD1 4.01Å; I77-L81 WeakPolarHBondContact O-CG 3.41Å; I77-L81 PolarHBondContact O-N 3.34Å; I77-L492 HydrophobicContact CG2-CD2 3.67Å; I77-L492 HydrophobicContact CG2-CG 4.09Å; I77-A493 HydrophobicContact CD1-CB 3.63Å; I77-L496 HydrophobicContact CB-CD1 4.37Å; I77-L496 HydrophobicContact CG1-CD1 4.42Å; I77-L496 HydrophobicContact CG2-CD1 3.79Å
78	N	88.2	Confident	80.1	Confident	38 Å²	38	71.5 Å²	71.5	20%	0.203	38%	0.377	C	S	.	.	H	α-helix	trans	-65.6	-35.7	177.7	-71.3	-22.2	0	0	0	112.2	L74 V75 Q76 R82 R476	L74-N78 WeakPolarHBondContact O-CB 3.47Å; L74-N78 PolarHBondContact O-N 2.78Å; L74-N78 VanDerWaalsContact O-N 3.09Å; L74-N78 PolarHBondContact O-ND2 3.45Å; L74-N78 VanDerWaalsContact O-ND2 3.13Å; V75-N78 PolarHBondContact O-N 2.98Å; Q76-N78 VanDerWaalsContact C-N 3.31Å; Q76-N78 PolarHBondContact O-N 3.09Å; N78-R82 WeakPolarHBondContact O-CB 3.46Å; N78-R82 WeakPolarHBondContact O-CG 3.38Å; N78-R82 PolarHBondContact O-N 3.43Å; N78-R476 PolarHBondContact OD1-NH1 3.03Å; N78-R476 PolarHBondContact OD1-NH2 3.41Å
79	S	90.6	Very high	82.8	Confident	83 Å²	83	71 Å²	71	58%	0.58	38%	0.375	S	S	*	.	H	α-helix	trans	-63.8	-43.6	175.8	-170.3	0	0	0	0	111.6	V75 Q76 I77 S83	V75-S79 WeakPolarHBondContact O-CB 3.45Å; V75-S79 PolarHBondContact O-N 3.26Å; Q76-S79 WeakPolarHBondContact O-CB 3.27Å; Q76-S79 PolarHBondContact O-N 3.42Å; Q76-S79 VanDerWaalsContact O-N 3.07Å; I77-S79 VanDerWaalsContact C-N 3.31Å; I77-S79 PolarHBondContact O-N 2.98Å; S79-S83 PolarHBondContact O-N 3.23Å
80	I	91.8	Very high	85.2	Confident	56 Å²	56	64.9 Å²	64.9	29%	0.287	34%	0.343	S	S	.	.	H	α-helix	trans	-64.9	-53.5	178.6	-65.6	166.4	0	0	0	109.8	Q76 I77 R82 S83 L109 L496	Q76-I80 WeakPolarHBondContact O-CG1 3.31Å; Q76-I80 PolarHBondContact O-N 2.78Å; I77-I80 PolarHBondContact O-N 2.88Å; I80-R82 PolarHBondContact O-N 3.43Å; I80-S83 WeakPolarHBondContact O-CB 3.46Å; I80-S83 PolarHBondContact O-N 3.27Å; I80-S83 PolarHBondContact O-OG 3.2Å; I80-L109 HydrophobicContact CG2-CD1 4.11Å; I80-L496 HydrophobicContact CD1-CB 4.42Å; I80-L496 HydrophobicContact CG2-CD2 4.05Å
81	L	92.8	Very high	86.8	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.016	34%	0.336	C	S	.	.	H	α-helix	trans	-62.8	-29.2	-177.9	-72.1	174.3	0	0	0	113.2	I77 N107 L109 T472 I475 R476 L492 L496	I77-L81 HydrophobicContact CG2-CD1 4.01Å; I77-L81 WeakPolarHBondContact O-CG 3.41Å; I77-L81 PolarHBondContact O-N 3.34Å; L81-N107 PolarHBondContact O-ND2 3.49Å; L81-L109 HydrophobicContact CD2-CD2 4.39Å; L81-T472 HydrophobicContact CB-CG2 4.19Å; L81-I475 HydrophobicContact CD2-CG2 3.86Å; L81-R476 HydrophobicContact CD1-CB 4.12Å; L81-R476 HydrophobicContact CD1-CG 4.14Å; L81-R476 VanDerWaalsContact CD1-CZ 3.45Å; L81-L492 HydrophobicContact CD1-CD1 4.36Å; L81-L492 HydrophobicContact CD1-CD2 4.16Å; L81-L496 HydrophobicContact CD1-CD1 4.23Å; L81-L496 HydrophobicContact CD2-CD1 4.14Å; L81-L496 HydrophobicContact CD2-CD2 4.17Å; L81-L496 HydrophobicContact CG-CD1 3.88Å
82	R	94.2	Very high	87.6	Confident	98 Å²	98	61.2 Å²	61.2	37%	0.37	33%	0.334	S	S	.	.	H	α-helix	trans	-95	-0.8	-178	-63.1	177.4	-178.3	175.1	1.6	113.9	N78 I80 N84 E85 L466 D467 T472	N78-R82 WeakPolarHBondContact O-CB 3.46Å; N78-R82 WeakPolarHBondContact O-CG 3.38Å; N78-R82 PolarHBondContact O-N 3.43Å; I80-R82 PolarHBondContact O-N 3.43Å; R82-N84 PolarHBondContact O-N 2.91Å; R82-E85 HydrophobicContact CB-CB 4.32Å; R82-E85 WeakPolarHBondContact O-CB 3.37Å; R82-E85 PolarHBondContact O-N 3.19Å; R82-L466 PolarHBondContact NH2-O 3.46Å; R82-D467 IonicContact CZ-OD1 3.66Å; R82-D467 IonicContact NE-OD1 3.46Å; R82-D467 IonicContact NH2-OD1 3.84Å; R82-D467 PolarHBondContact NH2-OD1 3.49Å; R82-T472 HydrophobicContact CG-CG2 4.24Å
83	S	94.4	Very high	87.9	Confident	57 Å²	57	65.3 Å²	65.3	40%	0.399	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-30	-176.6	59.7	0	0	0	0	113.9	S79 I80 H187	S79-S83 PolarHBondContact O-N 3.23Å; I80-S83 WeakPolarHBondContact O-CB 3.46Å; I80-S83 PolarHBondContact O-N 3.27Å; I80-S83 PolarHBondContact O-OG 3.2Å; S83-H187 PolarHBondContact O-CE1 3.16Å
84	N	96.4	Very high	87.3	Confident	21 Å²	21	66.3 Å²	66.3	11%	0.112	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	18.4	179.6	-61.2	-68.7	0	0	0	112.8	R82 Q86 N107 H108 R119 S189	R82-N84 PolarHBondContact O-N 2.91Å; N84-Q86 PolarHBondContact O-N 2.9Å; N84-N107 WeakPolarHBondContact CB-OD1 3.32Å; N84-N107 PolarHBondContact O-OD1 3.28Å; N84-H108 WeakPolarHBondContact CB-CD2 3.35Å; N84-H108 PolarHBondContact ND2-CD2 3.48Å; N84-H108 VanDerWaalsContact ND2-CD2 3.27Å; N84-H108 PolarHBondContact ND2-NE2 3.1Å; N84-H108 PolarHBondContact OD1-NE2 3.32Å; N84-R119 PolarHBondContact O-NH1 3.4Å; N84-R119 PolarHBondContact O-NH2 3.35Å; N84-S189 PolarHBondContact OD1-OG 3.07Å
85	E	97	Very high	86.5	Confident	49 Å²	49	64 Å²	64	23%	0.229	35%	0.354	C	S	.	.			trans	-69.7	122.7	-178.8	-177.5	175.4	113.3	0	0	110.9	R82 N107 N469 T472	R82-E85 HydrophobicContact CB-CB 4.32Å; R82-E85 WeakPolarHBondContact O-CB 3.37Å; R82-E85 PolarHBondContact O-N 3.19Å; E85-N107 PolarHBondContact N-OD1 3.38Å; E85-N469 HydrophobicContact CG-CB 3.58Å; E85-N469 WeakPolarHBondContact CG-ND2 3.37Å; E85-N469 WeakPolarHBondContact OE2-CB 3.34Å; E85-T472 WeakPolarHBondContact CG-OG1 3.4Å; E85-T472 WeakPolarHBondContact OE2-CB 3.5Å; E85-T472 PolarHBondContact OE2-OG1 3.47Å
86	Q	97.6	Very high	85.6	Confident	20 Å²	20	65.9 Å²	65.9	9%	0.093	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.9	176.7	-165.1	-166	26.5	0	0	110.4	N84 V88 N105 S106 Y185 K186 H187 N469	N84-Q86 PolarHBondContact O-N 2.9Å; Q86-V88 HydrophobicContact CG-CG2 3.99Å; Q86-N105 WeakPolarHBondContact O-CA 3.44Å; Q86-S106 WeakPolarHBondContact CB-OG 3.42Å; Q86-S106 PolarHBondContact N-O 2.96Å; Q86-S106 PolarHBondContact O-N 3.41Å; Q86-S106 PolarHBondContact OE1-OG 3Å; Q86-Y185 PolarHBondContact NE2-O 3.45Å; Q86-K186 PolarHBondContact NE2-O 2.89Å; Q86-H187 HydrophobicContact CB-CB 4.41Å; Q86-H187 HydrophobicContact CG-CB 4.39Å; Q86-N469 PolarHBondContact O-ND2 2.94Å
87	T	97.3	Very high	84.7	Confident	68 Å²	68	62.4 Å²	62.4	42%	0.417	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	124.6	169	-65.6	0	0	0	0	108.8	N105 N469	T87-N105 WeakPolarHBondContact CG2-ND2 3.5Å; T87-N105 PolarHBondContact OG1-ND2 3.12Å; T87-N105 VanDerWaalsContact OG1-ND2 3.14Å; T87-N469 PolarHBondContact OG1-ND2 3.45Å
88	V	96.8	Very high	84.2	Confident	21 Å²	21	66.3 Å²	66.3	13%	0.127	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.2	178.5	179.2	0	0	0	0	108.8	Q86 K103 F104 Y185	Q86-V88 HydrophobicContact CG-CG2 3.99Å; V88-K103 CarbonylContact O-C 3.54Å; V88-K103 WeakPolarHBondContact O-CA 3.27Å; V88-K103 WeakPolarHBondContact O-CB 3.31Å; V88-F104 HydrophobicContact CB-CD1 3.88Å; V88-F104 HydrophobicContact CB-CE1 3.4Å; V88-F104 HydrophobicContact CB-CE2 4.12Å; V88-F104 HydrophobicContact CB-CG 4.46Å; V88-F104 HydrophobicContact CB-CZ 3.52Å; V88-F104 HydrophobicContact CG1-CD1 4.28Å; V88-F104 HydrophobicContact CG1-CE1 3.59Å; V88-F104 HydrophobicContact CG1-CZ 4.02Å; V88-F104 HydrophobicContact CG2-CE1 3.89Å; V88-F104 HydrophobicContact CG2-CE2 3.91Å; V88-F104 HydrophobicContact CG2-CZ 3.44Å; V88-F104 VanDerWaalsContact CG2-CZ 3.44Å; V88-F104 PolarHBondContact N-O 3.45Å; V88-F104 PolarHBondContact O-N 2.85Å; V88-Y185 HydrophobicContact CG1-CD1 3.57Å; V88-Y185 HydrophobicContact CG1-CE1 3.97Å; V88-Y185 HydrophobicContact CG1-CG 4.11Å
89	N	93.9	Very high	84	Confident	117 Å²	117	65 Å²	65	63%	0.626	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	126	169.6	-60.3	-65.5	0	0	0	108
90	V	89.3	Confident	83.9	Confident	15 Å²	15	61.4 Å²	61.4	9%	0.091	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-88.3	134	-179.9	-177.3	0	0	0	0	107.7	E92 V101 R102 F104 M130	V90-E92 PolarHBondContact O-N 3.22Å; V90-V101 WeakPolarHBondContact CB-O 3.09Å; V90-V101 HydrophobicContact CG2-CB 4.43Å; V90-V101 HydrophobicContact CG2-CG1 3.93Å; V90-R102 PolarHBondContact N-O 3.27Å; V90-F104 HydrophobicContact CG2-CD1 4.47Å; V90-M130 HydrophobicContact CG1-CE 4.48Å; V90-M130 HydrophobicContact CG1-SD 3.85Å; V90-M130 HydrophobicContact CG2-CE 3.85Å; V90-M130 HydrophobicContact CG2-SD 3.91Å
91	P	81.8	Confident	84	Confident	80 Å²	80	58.8 Å²	58.8	52%	0.519	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-53.8	135.1	173.4	-24.6	34.1	0	0	0	111	F93	P91-F93 PolarHBondContact O-N 2.8Å
92	E	71.6	Confident	83.9	Confident	144 Å²	144	65.9 Å²	65.9	67%	0.673	34%	0.34	S	S	*	.	S	Bend	trans	-60.1	-30.8	-179.6	-71.3	-178.4	173.9	0	0	112.1	V90 L98 S99	V90-E92 PolarHBondContact O-N 3.22Å; E92-L98 WeakPolarHBondContact O-CA 3.36Å; E92-S99 PolarHBondContact O-N 3.03Å
93	F	68.7	Low	84	Confident	128 Å²	128	63.8 Å²	63.8	56%	0.561	33%	0.334	S	S	*	.	B	Isolated β-bridge	trans	-119.6	123.3	176.2	-166	-109.4	0	0	0	109.7	P91 G95 A97	P91-F93 PolarHBondContact O-N 2.8Å; F93-G95 VanDerWaalsContact C-N 3.3Å; F93-G95 VanDerWaalsContact CD1-N 3.33Å; F93-G95 VanDerWaalsContact CE1-C 3.44Å; F93-A97 WeakPolarHBondContact CD2-O 3.39Å
94	D	63	Low	84.1	Confident	76 Å²	76	61.1 Å²	61.1	41%	0.406	32%	0.315	S	S	.	.			trans	-90.8	9.1	178	67.8	1.7	0	0	0	112.9	R96 A97	D94-R96 VanDerWaalsContact C-N 3.34Å; D94-R96 WeakPolarHBondContact OD1-CA 3.4Å; D94-R96 PolarHBondContact OD1-N 2.85Å; D94-A97 PolarHBondContact N-O 3.48Å; D94-A97 PolarHBondContact OD1-N 2.99Å
95	G	59.2	Low	84.2	Confident	54 Å²	54	60.2 Å²	60.2	56%	0.557	31%	0.31	S	S	*	.	S	Bend	trans	92	-15.4	-174.4	0	0	0	0	0	114.1	F93	F93-G95 VanDerWaalsContact C-N 3.3Å; F93-G95 VanDerWaalsContact CD1-N 3.33Å; F93-G95 VanDerWaalsContact CE1-C 3.44Å
96	R	61.6	Low	84.3	Confident	153 Å²	153	58 Å²	58	58%	0.577	30%	0.3	S	S	*	.	S	Bend	trans	-124.9	-36.7	-176.7	-62.8	-178.1	-179.8	-174.8	1.1	112.9	D94 L125 Q126	D94-R96 VanDerWaalsContact C-N 3.34Å; D94-R96 WeakPolarHBondContact OD1-CA 3.4Å; D94-R96 PolarHBondContact OD1-N 2.85Å; R96-L125 PolarHBondContact NH1-O 2.9Å; R96-L125 PolarHBondContact NH2-O 3.49Å; R96-Q126 PolarHBondContact NH1-O 3.1Å
97	A	65.1	Low	84.3	Confident	28 Å²	28	57.1 Å²	57.1	23%	0.231	30%	0.296	C	S	.	.	S	Bend	trans	-154.1	173.8	-179.3	0	0	0	0	0	112	F93 D94	F93-A97 WeakPolarHBondContact CD2-O 3.39Å; D94-A97 PolarHBondContact N-O 3.48Å; D94-A97 PolarHBondContact OD1-N 2.99Å
98	L	76.2	Confident	84.2	Confident	84 Å²	84	54.8 Å²	54.8	44%	0.44	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-70.8	131.1	166.1	-77.5	163.4	0	0	0	109.1	E92 A100 L521	E92-L98 WeakPolarHBondContact O-CA 3.36Å; L98-A100 PolarHBondContact O-N 2.66Å; L98-L521 HydrophobicContact CB-CD1 4.46Å; L98-L521 HydrophobicContact CB-CD2 3.49Å; L98-L521 VanDerWaalsContact CB-CD2 3.49Å; L98-L521 HydrophobicContact CB-CG 4.39Å; L98-L521 HydrophobicContact CD1-CD2 3.82Å; L98-L521 HydrophobicContact CG-CD2 4.31Å
99	S	84.4	Confident	84.2	Confident	11 Å²	11	54.1 Å²	54.1	8%	0.077	28%	0.276	C	S	.	.			trans	-67.7	132.2	177.7	177.5	0	0	0	0	111.3	E92 V101 N518 L521	E92-S99 PolarHBondContact O-N 3.03Å; S99-V101 WeakPolarHBondContact CB-O 3.34Å; S99-V101 PolarHBondContact O-N 2.9Å; S99-V101 PolarHBondContact OG-N 2.83Å; S99-V101 VanDerWaalsContact OG-N 3.1Å; S99-V101 PolarHBondContact OG-O 2.92Å; S99-N518 VanDerWaalsContact O-CB 3.3Å; S99-N518 WeakPolarHBondContact O-CB 3.47Å; S99-N518 PolarHBondContact O-ND2 3.39Å; S99-N518 VanDerWaalsContact O-ND2 3.1Å; S99-L521 WeakPolarHBondContact O-CD1 3.36Å
100	A	88.7	Confident	84.3	Confident	6 Å²	6	50.7 Å²	50.7	5%	0.05	26%	0.26	C	S	.	.	S	Bend	trans	-66.7	-17	170.8	0	0	0	0	0	113.2	L98 V270 G271 L399 L517 N518 L521	L98-A100 PolarHBondContact O-N 2.66Å; A100-V270 HydrophobicContact CB-CG1 3.97Å; A100-G271 VanDerWaalsContact CB-O 3.24Å; A100-G271 WeakPolarHBondContact CB-O 3.24Å; A100-L399 HydrophobicContact CB-CD1 4.37Å; A100-L517 WeakPolarHBondContact O-CA 3.16Å; A100-N518 PolarHBondContact O-N 3.36Å; A100-L521 HydrophobicContact CB-CD1 4.21Å
101	V	93.6	Very high	84.6	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.5	179.3	-179.8	0	0	0	0	109.3	V90 S99 M130 F132 V270 V515	V90-V101 WeakPolarHBondContact CB-O 3.09Å; V90-V101 HydrophobicContact CG2-CB 4.43Å; V90-V101 HydrophobicContact CG2-CG1 3.93Å; S99-V101 WeakPolarHBondContact CB-O 3.34Å; S99-V101 PolarHBondContact O-N 2.9Å; S99-V101 PolarHBondContact OG-N 2.83Å; S99-V101 VanDerWaalsContact OG-N 3.1Å; S99-V101 PolarHBondContact OG-O 2.92Å; V101-M130 HydrophobicContact CB-SD 3.71Å; V101-M130 HydrophobicContact CG1-SD 4.21Å; V101-M130 HydrophobicContact CG2-SD 3.94Å; V101-F132 HydrophobicContact CG1-CZ 4.14Å; V101-F132 HydrophobicContact CG2-CE2 3.96Å; V101-F132 HydrophobicContact CG2-CZ 4.16Å; V101-V270 HydrophobicContact CG2-CB 4.04Å; V101-V270 HydrophobicContact CG2-CG1 3.66Å; V101-V515 HydrophobicContact CB-CG1 4.3Å; V101-V515 HydrophobicContact CG1-CG1 3.6Å; V101-V515 HydrophobicContact CG2-CG1 3.73Å
102	R	92.1	Very high	85.1	Confident	153 Å²	153	47.6 Å²	47.6	58%	0.577	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87	-45	176.1	-177.3	178.9	179.9	-174.3	2.2	112	V90 Y516	V90-R102 PolarHBondContact N-O 3.27Å; R102-Y516 PolarHBondContact N-O 3.1Å
103	K	94.9	Very high	86	Confident	54 Å²	54	45.3 Å²	45.3	24%	0.235	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	165.5	-180	68	173	-171.8	169.9	0	109	V88 Y516	V88-K103 CarbonylContact O-C 3.54Å; V88-K103 WeakPolarHBondContact O-CA 3.27Å; V88-K103 WeakPolarHBondContact O-CB 3.31Å; K103-Y516 HydrophobicContact CD-CD2 4.12Å; K103-Y516 HydrophobicContact CD-CE2 4.43Å; K103-Y516 HydrophobicContact CG-CD2 3.54Å; K103-Y516 HydrophobicContact CG-CE2 4.29Å; K103-Y516 HydrophobicContact CG-CG 3.92Å; K103-Y516 WeakPolarHBondContact O-CB 3.43Å; K103-Y516 PolarHBondContact O-N 3.27Å
104	F	98	Very high	87.1	Confident	1 Å²	1	42.5 Å²	42.5	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	158.1	165.5	69.8	-90.6	0	0	0	111.3	V88 V90 A121 F132 Y185 T513 V514 V515	V88-F104 HydrophobicContact CB-CD1 3.88Å; V88-F104 HydrophobicContact CB-CE1 3.4Å; V88-F104 HydrophobicContact CB-CE2 4.12Å; V88-F104 HydrophobicContact CB-CG 4.46Å; V88-F104 HydrophobicContact CB-CZ 3.52Å; V88-F104 HydrophobicContact CG1-CD1 4.28Å; V88-F104 HydrophobicContact CG1-CE1 3.59Å; V88-F104 HydrophobicContact CG1-CZ 4.02Å; V88-F104 HydrophobicContact CG2-CE1 3.89Å; V88-F104 HydrophobicContact CG2-CE2 3.91Å; V88-F104 HydrophobicContact CG2-CZ 3.44Å; V88-F104 VanDerWaalsContact CG2-CZ 3.44Å; V88-F104 PolarHBondContact N-O 3.45Å; V88-F104 PolarHBondContact O-N 2.85Å; V90-F104 HydrophobicContact CG2-CD1 4.47Å; F104-A121 HydrophobicContact CE1-CB 4.18Å; F104-A121 HydrophobicContact CE2-CB 3.96Å; F104-A121 HydrophobicContact CZ-CB 3.61Å; F104-F132 HydrophobicContact CB-CE1 4.09Å; F104-F132 AromaticContact CD1-CE1 3.57Å; F104-F132 HydrophobicContact CD1-CE1 3.57Å; F104-F132 HydrophobicContact CD1-CZ 4.14Å; F104-F132 HydrophobicContact CD2-CE1 4.28Å; F104-F132 AromaticContact CE1-CE1 3.95Å; F104-F132 HydrophobicContact CE1-CE1 3.95Å; F104-F132 AromaticContact CG-CE1 3.72Å; F104-F132 HydrophobicContact CG-CE1 3.72Å; F104-F132 HydrophobicContact CZ-CE1 4.48Å; F104-Y185 HydrophobicContact CE1-CD2 4.31Å; F104-Y185 HydrophobicContact CE1-CG 4.22Å; F104-Y185 HydrophobicContact CZ-CG 4.22Å; F104-T513 HydrophobicContact CD2-CG2 4.29Å; F104-V514 CarbonylContact C-O 3.47Å; F104-V514 WeakPolarHBondContact CA-O 3.46Å; F104-V514 WeakPolarHBondContact CB-O 3.5Å; F104-V515 HydrophobicContact CB-CB 4.48Å; F104-V515 HydrophobicContact CB-CG2 4.27Å
105	N	98.4	Very high	88.7	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	128.5	177.9	-79.1	-179.5	0	0	0	107.8	Q86 T87 N469 A470 T513 V514 Y516	Q86-N105 WeakPolarHBondContact O-CA 3.44Å; T87-N105 WeakPolarHBondContact CG2-ND2 3.5Å; T87-N105 PolarHBondContact OG1-ND2 3.12Å; T87-N105 VanDerWaalsContact OG1-ND2 3.14Å; N105-N469 WeakPolarHBondContact OD1-CA 3.38Å; N105-A470 PolarHBondContact OD1-N 2.94Å; N105-A470 VanDerWaalsContact OD1-N 3.1Å; N105-T513 CarbonylContact O-C 3.6Å; N105-T513 WeakPolarHBondContact O-CA 3.42Å; N105-V514 HydrophobicContact CB-CB 4.47Å; N105-V514 PolarHBondContact N-O 3.21Å; N105-V514 PolarHBondContact O-N 2.9Å; N105-Y516 HydrophobicContact CB-CE2 4.3Å
106	S	98.4	Very high	90.5	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	152.7	173.5	69	0	0	0	0	110.5	Q86 R119 V512	Q86-S106 WeakPolarHBondContact CB-OG 3.42Å; Q86-S106 PolarHBondContact N-O 2.96Å; Q86-S106 PolarHBondContact O-N 3.41Å; Q86-S106 PolarHBondContact OE1-OG 3Å; S106-R119 PolarHBondContact O-NH1 3.22Å; S106-R119 PolarHBondContact OG-NH1 2.84Å; S106-V512 CarbonylContact C-O 3.55Å; S106-V512 WeakPolarHBondContact CA-O 3.17Å; S106-V512 WeakPolarHBondContact CB-O 3.38Å
107	N	98.4	Very high	92.2	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.011	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	157	172.2	-158.6	-3.7	0	0	0	109.4	L81 N84 E85 A471 T472 I475 V512	L81-N107 PolarHBondContact O-ND2 3.49Å; N84-N107 WeakPolarHBondContact CB-OD1 3.32Å; N84-N107 PolarHBondContact O-OD1 3.28Å; E85-N107 PolarHBondContact N-OD1 3.38Å; N107-A471 HydrophobicContact CB-CB 3.88Å; N107-T472 PolarHBondContact ND2-OG1 3.17Å; N107-I475 HydrophobicContact CB-CD1 3.75Å; N107-V512 PolarHBondContact N-O 3.48Å; N107-V512 PolarHBondContact O-N 3.22Å
108	H	95.3	Very high	93.8	Very high	19 Å²	19	31.5 Å²	31.5	9%	0.088	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	155.1	165.5	64.9	-151.9	0	0	0	111.5	N84 D190 I510 T511	N84-H108 WeakPolarHBondContact CB-CD2 3.35Å; N84-H108 PolarHBondContact ND2-CD2 3.48Å; N84-H108 VanDerWaalsContact ND2-CD2 3.27Å; N84-H108 PolarHBondContact ND2-NE2 3.1Å; N84-H108 PolarHBondContact OD1-NE2 3.32Å; H108-D190 IonicContact CE1-OD1 3.9Å; H108-I510 CarbonylContact C-O 3.54Å; H108-I510 WeakPolarHBondContact CA-O 3.49Å; H108-I510 WeakPolarHBondContact CB-O 3.31Å; H108-T511 HydrophobicContact CB-CG2 4.27Å; H108-T511 VanDerWaalsContact CB-OG1 3.28Å; H108-T511 WeakPolarHBondContact CB-OG1 3.31Å
109	L	96.3	Very high	94.9	Very high	7 Å²	7	28 Å²	28	4%	0.037	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	116.8	175.4	-179.1	72.3	0	0	0	109.3	I80 L81 I475 L479 L496 I510	I80-L109 HydrophobicContact CG2-CD1 4.11Å; L81-L109 HydrophobicContact CD2-CD2 4.39Å; L109-I475 HydrophobicContact CB-CD1 4.43Å; L109-I475 HydrophobicContact CB-CG2 3.98Å; L109-I475 HydrophobicContact CD2-CG2 3.82Å; L109-L479 HydrophobicContact CD2-CD1 3.22Å; L109-L479 HydrophobicContact CD2-CG 4.34Å; L109-L496 HydrophobicContact CD1-CD2 4.08Å; L109-L496 HydrophobicContact CD2-CD2 3.74Å; L109-I510 PolarHBondContact N-O 3.11Å; L109-I510 PolarHBondContact O-N 2.93Å
110	P	96	Very high	95.5	Very high	44 Å²	44	27.7 Å²	27.7	29%	0.286	14%	0.141	S	C	.	.			trans	-74.1	146.6	-179.6	28.6	-34.5	0	0	0	113.2	N115 R507 D509	P110-N115 HydrophobicContact CB-CB 3.95Å; P110-R507 PolarHBondContact O-NE 3.18Å; P110-R507 PolarHBondContact O-NH2 3.1Å; P110-D509 WeakPolarHBondContact CA-OD1 3.35Å
111	A	95.2	Very high	96	Very high	3 Å²	3	27.7 Å²	27.7	3%	0.025	14%	0.141	C	C	.	.	S	Bend	trans	-110.5	-25.6	158.8	0	0	0	0	0	112	A503 R504 R507 D508 D509	A111-A503 WeakPolarHBondContact O-CB 3.4Å; A111-R504 PolarHBondContact O-N 3Å; A111-R507 HydrophobicContact CB-CG 3.89Å; A111-R507 WeakPolarHBondContact CB-O 3.34Å; A111-D508 WeakPolarHBondContact CB-O 3.4Å; A111-D509 WeakPolarHBondContact CA-OD1 3.35Å; A111-D509 PolarHBondContact N-OD1 2.93Å
112	N	92.7	Very high	96.2	Very high	27 Å²	27	27.6 Å²	27.6	14%	0.144	14%	0.141	C	C	.	.	S	Bend	trans	-100.3	149.7	175	-58.7	-67	0	0	0	111.7	P114 N115 E116 R504 D509	N112-P114 CarbonylContact C-O 3.52Å; N112-P114 WeakPolarHBondContact CB-O 3.43Å; N112-P114 CarbonylContact O-C 3.59Å; N112-P114 VanDerWaalsContact O-C 3.26Å; N112-N115 WeakPolarHBondContact O-CA 3.27Å; N112-N115 PolarHBondContact O-N 2.8Å; N112-N115 VanDerWaalsContact O-N 3.12Å; N112-E116 HydrophobicContact CB-CG 4.22Å; N112-R504 PolarHBondContact ND2-NE 3Å; N112-R504 WeakPolarHBondContact OD1-CD 3.32Å; N112-R504 VanDerWaalsContact OD1-CG 3.32Å; N112-R504 WeakPolarHBondContact OD1-CG 3.49Å; N112-R504 PolarHBondContact OD1-NE 2.87Å; N112-D509 PolarHBondContact N-OD1 2.8Å; N112-D509 VanDerWaalsContact ND2-CG 3.25Å; N112-D509 PolarHBondContact ND2-OD1 2.95Å; N112-D509 PolarHBondContact ND2-OD2 3.17Å
113	T	90	Very high	96.4	Very high	96 Å²	96	21 Å²	21	59%	0.589	12%	0.117	S	C	*	.	S	Bend	trans	-122.8	112.7	166.5	-57.4	0	0	0	0	109.3	E500	T113-E500 VanDerWaalsContact CB-OE2 3.22Å; T113-E500 WeakPolarHBondContact CB-OE2 3.23Å; T113-E500 VanDerWaalsContact CG2-OE2 3.31Å; T113-E500 WeakPolarHBondContact CG2-OE2 3.4Å; T113-E500 PolarHBondContact OG1-OE2 2.69Å
114	P	92.8	Very high	96.4	Very high	69 Å²	69	18.7 Å²	18.7	45%	0.448	11%	0.108	S	C	.	.	S	Bend	cis	-67.8	154.2	-5.9	29.9	-36.3	0	0	0	113.1	N112 E116 W141	N112-P114 CarbonylContact C-O 3.52Å; N112-P114 WeakPolarHBondContact CB-O 3.43Å; N112-P114 CarbonylContact O-C 3.59Å; N112-P114 VanDerWaalsContact O-C 3.26Å; P114-E116 PolarHBondContact O-N 3.01Å; P114-W141 HydrophobicContact CB-CG 4.41Å; P114-W141 HydrophobicContact CG-CG 4.01Å
115	N	95	Very high	96.2	Very high	22 Å²	22	21 Å²	21	12%	0.118	12%	0.12	C	C	.	.			trans	-56.1	132.6	171.8	-172.4	2.6	0	0	0	110	P110 N112 D117 R118 W141 D509	P110-N115 HydrophobicContact CB-CB 3.95Å; N112-N115 WeakPolarHBondContact O-CA 3.27Å; N112-N115 PolarHBondContact O-N 2.8Å; N112-N115 VanDerWaalsContact O-N 3.12Å; N115-D117 WeakPolarHBondContact OD1-CB 3.44Å; N115-D117 PolarHBondContact OD1-N 3.28Å; N115-D117 VanDerWaalsContact OD1-N 3.08Å; N115-R118 PolarHBondContact O-NH1 2.85Å; N115-W141 WeakPolarHBondContact O-CB 3.36Å; N115-D509 WeakPolarHBondContact OD1-CB 3.46Å; N115-D509 PolarHBondContact OD1-OD1 3.07Å; N115-D509 PolarHBondContact OD1-OD2 3.33Å
116	E	97.1	Very high	95.8	Very high	32 Å²	32	22.8 Å²	22.8	15%	0.15	13%	0.129	C	C	.	.			trans	-91.4	-26.9	178.8	-55.1	-165.6	121.1	0	0	112	N112 P114 G137 G140 A144 D509	N112-E116 HydrophobicContact CB-CG 4.22Å; P114-E116 PolarHBondContact O-N 3.01Å; E116-G137 WeakPolarHBondContact CB-O 3.45Å; E116-G140 WeakPolarHBondContact OE1-CA 3.5Å; E116-G140 PolarHBondContact OE1-N 3.45Å; E116-A144 VanDerWaalsContact O-CB 3.26Å; E116-A144 WeakPolarHBondContact O-CB 3.47Å; E116-D509 PolarHBondContact N-OD2 3.3Å
117	D	98.4	Very high	95.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.133	C	C	.	.			trans	-66.5	147.4	176.2	-90.6	3.3	0	0	0	113.9	N115 F135 D136 T410 D509 T511	N115-D117 WeakPolarHBondContact OD1-CB 3.44Å; N115-D117 PolarHBondContact OD1-N 3.28Å; N115-D117 VanDerWaalsContact OD1-N 3.08Å; D117-F135 CarbonylContact C-O 3.54Å; D117-F135 WeakPolarHBondContact CA-O 3.38Å; D117-D136 WeakPolarHBondContact OD1-CA 3.36Å; D117-D136 WeakPolarHBondContact OD1-CB 3.26Å; D117-T410 WeakPolarHBondContact OD2-CG2 3.4Å; D117-T410 PolarHBondContact OD2-OG1 2.94Å; D117-D509 HydrophobicContact CB-CB 3.91Å; D117-D509 VanDerWaalsContact CG-CB 3.48Å; D117-T511 WeakPolarHBondContact CB-OG1 3.48Å; D117-T511 WeakPolarHBondContact OD2-CB 3.5Å; D117-T511 PolarHBondContact OD2-N 3.49Å; D117-T511 VanDerWaalsContact OD2-N 3.14Å; D117-T511 PolarHBondContact OD2-OG1 2.77Å
118	R	98.5	Very high	94.7	Very high	27 Å²	27	30.1 Å²	30.1	10%	0.102	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	158.7	168.6	-62	-67	-178.9	-80.5	0.3	112.2	N115 F135 A144	N115-R118 PolarHBondContact O-NH1 2.85Å; R118-F135 HydrophobicContact CB-CB 4.16Å; R118-F135 HydrophobicContact CB-CD2 4.09Å; R118-F135 PolarHBondContact N-O 2.87Å; R118-F135 PolarHBondContact O-N 2.96Å; R118-A144 HydrophobicContact CG-CB 3.98Å
119	R	97.9	Very high	94.5	Very high	9 Å²	9	29.9 Å²	29.9	3%	0.034	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	154.4	171.6	60.7	-176.8	179	-170.8	-10.2	110.5	N84 S106 G133 D190 T511	N84-R119 PolarHBondContact O-NH1 3.4Å; N84-R119 PolarHBondContact O-NH2 3.35Å; S106-R119 PolarHBondContact O-NH1 3.22Å; S106-R119 PolarHBondContact OG-NH1 2.84Å; R119-G133 CarbonylContact C-O 3.51Å; R119-G133 WeakPolarHBondContact CA-O 3.2Å; R119-D190 IonicContact NE-OD1 3.65Å; R119-D190 IonicContact NE-OD2 2.78Å; R119-D190 PolarHBondContact NE-OD2 3.05Å; R119-D190 IonicContact NH2-OD1 3.49Å; R119-D190 IonicContact NH2-OD2 3.97Å; R119-T511 HydrophobicContact CB-CG2 3.77Å; R119-T511 HydrophobicContact CG-CG2 4.47Å
120	S	98.4	Very high	94.5	Very high	6 Å²	6	29.9 Å²	29.9	4%	0.042	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	144.4	173.1	-74.5	0	0	0	0	112.3	F132 G133 S148	S120-F132 CarbonylContact O-C 3.57Å; S120-F132 WeakPolarHBondContact O-CA 3.43Å; S120-G133 PolarHBondContact N-O 3.33Å; S120-G133 PolarHBondContact O-N 3.49Å; S120-S148 PolarHBondContact OG-O 2.84Å
121	A	98.4	Very high	94.7	Very high	5 Å²	5	27.8 Å²	27.8	4%	0.041	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	130.9	174.9	0	0	0	0	0	109.6	F104 L131 F132 Y185	F104-A121 HydrophobicContact CE1-CB 4.18Å; F104-A121 HydrophobicContact CE2-CB 3.96Å; F104-A121 HydrophobicContact CZ-CB 3.61Å; A121-L131 WeakPolarHBondContact CA-O 3.49Å; A121-F132 HydrophobicContact CB-CD1 3.76Å; A121-F132 HydrophobicContact CB-CE1 3.95Å; A121-Y185 PolarHBondContact O-N 3.44Å
122	A	97.6	Very high	94.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	149.3	177	0	0	0	0	0	112.7	M130 L131 L152 L182 Q183 W184	A122-M130 WeakPolarHBondContact O-CA 3.47Å; A122-L131 PolarHBondContact N-O 2.92Å; A122-L131 PolarHBondContact O-N 3.36Å; A122-L152 HydrophobicContact CB-CD2 4.08Å; A122-L182 HydrophobicContact CB-CB 4.2Å; A122-L182 HydrophobicContact CB-CD1 4.23Å; A122-L182 HydrophobicContact CB-CD2 4.04Å; A122-L182 HydrophobicContact CB-CG 4.39Å; A122-Q183 CarbonylContact C-O 3.59Å; A122-Q183 WeakPolarHBondContact CA-O 3.24Å; A122-Q183 WeakPolarHBondContact CB-O 3.47Å; A122-W184 HydrophobicContact CB-CD2 4.19Å; A122-W184 HydrophobicContact CB-CE3 4.24Å; A122-W184 HydrophobicContact CB-CG 4.5Å
123	T	95.9	Very high	95.1	Very high	13 Å²	13	26.4 Å²	26.4	8%	0.08	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	134.3	167.6	-61.1	0	0	0	0	109.5	M130 L182 Q183 Y185	T123-M130 HydrophobicContact CG2-CG 4.37Å; T123-M130 WeakPolarHBondContact OG1-CE 3.46Å; T123-L182 WeakPolarHBondContact O-CA 3.13Å; T123-Q183 PolarHBondContact N-O 2.92Å; T123-Q183 PolarHBondContact O-N 2.93Å; T123-Y185 VanDerWaalsContact OG1-CE2 3.31Å; T123-Y185 WeakPolarHBondContact OG1-CE2 3.48Å; T123-Y185 PolarHBondContact OG1-OH 2.9Å
124	C	95	Very high	95.5	Very high	7 Å²	7	21.9 Å²	21.9	5%	0.047	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	128.4	171.3	-60.7	0	0	0	0	109.7	S127 G129	C124-S127 CarbonylContact C-O 3.52Å; C124-S127 WeakPolarHBondContact CB-O 3.36Å; C124-S127 WeakPolarHBondContact CB-OG 3.18Å; C124-S127 VanDerWaalsContact O-O 3.06Å; C124-G129 WeakPolarHBondContact CB-O 3.45Å; C124-G129 PolarHBondContact N-O 2.92Å
125	L	93.6	Very high	95.8	Very high	49 Å²	49	18.6 Å²	18.6	26%	0.257	9%	0.094	S	C	.	.	S	Bend	trans	-98.1	-26.6	-177.5	-64.4	176.4	0	0	0	112.8	R96 P180 I181 Q183	R96-L125 PolarHBondContact NH1-O 2.9Å; R96-L125 PolarHBondContact NH2-O 3.49Å; L125-P180 WeakPolarHBondContact CB-O 3.3Å; L125-P180 HydrophobicContact CD1-CB 3.66Å; L125-P180 HydrophobicContact CD1-CG 3.85Å; L125-I181 PolarHBondContact N-O 3.37Å; L125-Q183 HydrophobicContact CD1-CB 4.12Å; L125-Q183 HydrophobicContact CD2-CB 3.98Å; L125-Q183 HydrophobicContact CG-CB 4.19Å
126	Q	91.1	Very high	96	Very high	39 Å²	39	18 Å²	18	18%	0.182	9%	0.091	C	C	.	.	S	Bend	trans	-97.3	-33.8	178.9	-56.6	-50.7	-37.2	0	0	112.2	R96 M160 T164 P180	R96-Q126 PolarHBondContact NH1-O 3.1Å; Q126-M160 HydrophobicContact CB-CE 3.59Å; Q126-M160 HydrophobicContact CB-CG 4.1Å; Q126-M160 HydrophobicContact CB-SD 3.6Å; Q126-M160 HydrophobicContact CG-CE 3.78Å; Q126-M160 HydrophobicContact CG-SD 3.93Å; Q126-T164 HydrophobicContact CB-CG2 4.07Å; Q126-T164 HydrophobicContact CG-CG2 4.19Å; Q126-P180 PolarHBondContact NE2-O 3.5Å
127	S	86.8	Confident	96.1	Very high	17 Å²	17	16.4 Å²	16.4	12%	0.119	8%	0.084	C	C	.	.	S	Bend	trans	-108.1	178.9	170.4	57	0	0	0	0	111.3	C124	C124-S127 CarbonylContact C-O 3.52Å; C124-S127 WeakPolarHBondContact CB-O 3.36Å; C124-S127 WeakPolarHBondContact CB-OG 3.18Å; C124-S127 VanDerWaalsContact O-O 3.06Å
128	K	86.8	Confident	95.9	Very high	142 Å²	142	18 Å²	18	62%	0.617	9%	0.091	S	C	*	.	S	Bend	trans	-95.4	148.7	-179.3	-64.4	179.7	-175.6	172.3	0	111.7	H269	K128-H269 PolarHBondContact O-NE2 3.01Å
129	G	91.7	Very high	95.7	Very high	14 Å²	14	18.5 Å²	18.5	14%	0.144	11%	0.105	C	C	.	.	S	Bend	trans	101.6	172.6	170.9	0	0	0	0	0	114.1	C124 V270	C124-G129 WeakPolarHBondContact CB-O 3.45Å; C124-G129 PolarHBondContact N-O 2.92Å; G129-V270 VanDerWaalsContact CA-O 3.27Å; G129-V270 WeakPolarHBondContact CA-O 3.47Å
130	M	96.5	Very high	95.4	Very high	7 Å²	7	18.5 Å²	18.5	3%	0.034	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	145.4	179.2	-63.4	-172.9	68.8	0	0	110.4	V90 V101 A122 T123 F132 Y185 H269 V270	V90-M130 HydrophobicContact CG1-CE 4.48Å; V90-M130 HydrophobicContact CG1-SD 3.85Å; V90-M130 HydrophobicContact CG2-CE 3.85Å; V90-M130 HydrophobicContact CG2-SD 3.91Å; V101-M130 HydrophobicContact CB-SD 3.71Å; V101-M130 HydrophobicContact CG1-SD 4.21Å; V101-M130 HydrophobicContact CG2-SD 3.94Å; A122-M130 WeakPolarHBondContact O-CA 3.47Å; T123-M130 HydrophobicContact CG2-CG 4.37Å; T123-M130 WeakPolarHBondContact OG1-CE 3.46Å; M130-F132 HydrophobicContact CB-CD2 4.46Å; M130-F132 HydrophobicContact CB-CE2 3.61Å; M130-F132 HydrophobicContact CB-CZ 4.02Å; M130-F132 HydrophobicContact CE-CE1 4.36Å; M130-F132 HydrophobicContact CE-CE2 4.48Å; M130-F132 HydrophobicContact CE-CZ 3.72Å; M130-F132 HydrophobicContact SD-CZ 4.21Å; M130-Y185 HydrophobicContact CE-CD2 4.25Å; M130-Y185 HydrophobicContact CE-CE2 3.75Å; M130-H269 CarbonylContact O-C 3.58Å; M130-H269 WeakPolarHBondContact O-CA 3.42Å; M130-V270 PolarHBondContact N-O 3.12Å; M130-V270 PolarHBondContact O-N 3.13Å
131	L	98.6	Very high	95.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131.7	176.8	-66.8	167.1	0	0	0	109.5	A121 A122 L152 I155 L182 V267 A268 H269	A121-L131 WeakPolarHBondContact CA-O 3.49Å; A122-L131 PolarHBondContact N-O 2.92Å; A122-L131 PolarHBondContact O-N 3.36Å; L131-L152 HydrophobicContact CB-CD2 4.15Å; L131-L152 HydrophobicContact CB-CG 3.96Å; L131-L152 HydrophobicContact CD1-CB 4.09Å; L131-L152 HydrophobicContact CD1-CG 4.19Å; L131-I155 HydrophobicContact CD1-CB 4.15Å; L131-I155 HydrophobicContact CD1-CG2 4.02Å; L131-I155 HydrophobicContact CD2-CD1 4.43Å; L131-I155 HydrophobicContact CD2-CG2 3.79Å; L131-L182 HydrophobicContact CD1-CD2 4.48Å; L131-V267 HydrophobicContact CD2-CG1 4.4Å; L131-A268 WeakPolarHBondContact CA-O 3.18Å; L131-H269 HydrophobicContact CD2-CB 3.8Å
132	F	98.8	Very high	95.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	132.6	173.8	-59.4	-87.8	0	0	0	108.9	V101 F104 S120 A121 M130 V267 A268 V270 L408 T513 V515	V101-F132 HydrophobicContact CG1-CZ 4.14Å; V101-F132 HydrophobicContact CG2-CE2 3.96Å; V101-F132 HydrophobicContact CG2-CZ 4.16Å; F104-F132 HydrophobicContact CB-CE1 4.09Å; F104-F132 AromaticContact CD1-CE1 3.57Å; F104-F132 HydrophobicContact CD1-CE1 3.57Å; F104-F132 HydrophobicContact CD1-CZ 4.14Å; F104-F132 HydrophobicContact CD2-CE1 4.28Å; F104-F132 AromaticContact CE1-CE1 3.95Å; F104-F132 HydrophobicContact CE1-CE1 3.95Å; F104-F132 AromaticContact CG-CE1 3.72Å; F104-F132 HydrophobicContact CG-CE1 3.72Å; F104-F132 HydrophobicContact CZ-CE1 4.48Å; S120-F132 CarbonylContact O-C 3.57Å; S120-F132 WeakPolarHBondContact O-CA 3.43Å; A121-F132 HydrophobicContact CB-CD1 3.76Å; A121-F132 HydrophobicContact CB-CE1 3.95Å; M130-F132 HydrophobicContact CB-CD2 4.46Å; M130-F132 HydrophobicContact CB-CE2 3.61Å; M130-F132 HydrophobicContact CB-CZ 4.02Å; M130-F132 HydrophobicContact CE-CE1 4.36Å; M130-F132 HydrophobicContact CE-CE2 4.48Å; M130-F132 HydrophobicContact CE-CZ 3.72Å; M130-F132 HydrophobicContact SD-CZ 4.21Å; F132-V267 CarbonylContact O-C 3.54Å; F132-V267 VanDerWaalsContact O-CA 3.25Å; F132-V267 WeakPolarHBondContact O-CA 3.38Å; F132-A268 PolarHBondContact N-O 3.44Å; F132-A268 PolarHBondContact O-N 2.88Å; F132-V270 HydrophobicContact CD2-CG2 4.01Å; F132-V270 HydrophobicContact CE2-CB 4.44Å; F132-V270 HydrophobicContact CE2-CG2 4.08Å; F132-L408 HydrophobicContact CB-CD1 4.17Å; F132-L408 HydrophobicContact CB-CD2 4.38Å; F132-T513 HydrophobicContact CD1-CG2 4.11Å; F132-V515 HydrophobicContact CB-CG2 4.43Å; F132-V515 HydrophobicContact CD1-CG2 3.72Å; F132-V515 HydrophobicContact CD2-CG1 4.4Å; F132-V515 HydrophobicContact CD2-CG2 3.92Å; F132-V515 HydrophobicContact CE1-CG1 4.43Å; F132-V515 HydrophobicContact CE1-CG2 3.87Å; F132-V515 HydrophobicContact CE2-CG1 3.82Å; F132-V515 HydrophobicContact CE2-CG2 4.06Å; F132-V515 HydrophobicContact CG-CG2 3.74Å; F132-V515 HydrophobicContact CZ-CG1 3.83Å; F132-V515 HydrophobicContact CZ-CG2 4.03Å
133	G	98.7	Very high	95.2	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	140.8	179.2	0	0	0	0	0	111.7	R119 S120 C266	R119-G133 CarbonylContact C-O 3.51Å; R119-G133 WeakPolarHBondContact CA-O 3.2Å; S120-G133 PolarHBondContact N-O 3.33Å; S120-G133 PolarHBondContact O-N 3.49Å; G133-C266 WeakPolarHBondContact CA-O 3.47Å
134	V	98.8	Very high	95.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	142.1	161.6	-63.9	0	0	0	0	108	C266 C283 L408 T410 T511	V134-C266 HydrophobicContact CG2-CB 3.93Å; V134-C266 PolarHBondContact N-O 2.83Å; V134-C266 PolarHBondContact O-N 3.43Å; V134-C283 HydrophobicContact CG2-CB 4.16Å; V134-L408 HydrophobicContact CG1-CB 3.88Å; V134-L408 HydrophobicContact CG2-CB 4Å; V134-T410 HydrophobicContact CB-CG2 4.28Å; V134-T511 HydrophobicContact CG1-CG2 4.16Å
135	F	98.8	Very high	95.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	115.5	-172	-50.1	-82.3	0	0	0	107.7	D117 R118 A144 V147 L151 L152 T264 A265 V267	D117-F135 CarbonylContact C-O 3.54Å; D117-F135 WeakPolarHBondContact CA-O 3.38Å; R118-F135 HydrophobicContact CB-CB 4.16Å; R118-F135 HydrophobicContact CB-CD2 4.09Å; R118-F135 PolarHBondContact N-O 2.87Å; R118-F135 PolarHBondContact O-N 2.96Å; F135-A144 HydrophobicContact CB-CB 4.39Å; F135-V147 HydrophobicContact CD1-CB 4.5Å; F135-V147 HydrophobicContact CD1-CG1 3.72Å; F135-V147 HydrophobicContact CE1-CG1 3.69Å; F135-L151 HydrophobicContact CE1-CD2 3.97Å; F135-L152 HydrophobicContact CZ-CD1 4.09Å; F135-T264 VanDerWaalsContact CA-O 3.26Å; F135-T264 WeakPolarHBondContact CA-O 3.5Å; F135-A265 HydrophobicContact CD1-CB 3.71Å; F135-A265 HydrophobicContact CE1-CB 3.91Å; F135-V267 HydrophobicContact CE1-CG2 4.06Å; F135-V267 HydrophobicContact CZ-CG2 4.22Å
136	D	98.8	Very high	95.7	Very high	9 Å²	9	19.1 Å²	19.1	5%	0.048	11%	0.105	C	C	.	.			trans	-98	123.1	172.9	158.2	33	0	0	0	108.4	D117 C263 T264 T410	D117-D136 WeakPolarHBondContact OD1-CA 3.36Å; D117-D136 WeakPolarHBondContact OD1-CB 3.26Å; D136-C263 CarbonylContact O-C 3.45Å; D136-C263 VanDerWaalsContact O-CA 3.28Å; D136-C263 WeakPolarHBondContact O-CA 3.46Å; D136-T264 WeakPolarHBondContact CB-OG1 3.34Å; D136-T264 PolarHBondContact N-O 2.6Å; D136-T264 PolarHBondContact N-OG1 3Å; D136-T264 PolarHBondContact O-N 3.36Å; D136-T264 PolarHBondContact O-OG1 3.41Å; D136-T410 HydrophobicContact CB-CG2 3.71Å
137	G	98.3	Very high	96	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	149.4	-174.4	0	0	0	0	0	111.1	E116 G262	E116-G137 WeakPolarHBondContact CB-O 3.45Å; G137-G262 WeakPolarHBondContact CA-O 3.33Å
138	H	95.8	Very high	96.6	Very high	32 Å²	32	16.6 Å²	16.6	15%	0.148	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	154.6	177.4	56.1	-96.2	0	0	0	112.1	G140 G262 L338 D346	H138-G140 PolarHBondContact O-N 3.43Å; H138-G262 PolarHBondContact N-O 2.87Å; H138-G262 WeakPolarHBondContact NE2-CA 3.42Å; H138-G262 PolarHBondContact O-N 3.49Å; H138-L338 VanDerWaalsContact NE2-CD1 3.3Å; H138-L338 WeakPolarHBondContact NE2-CD1 3.21Å; H138-D346 IonicContact CD2-OD1 2.67Å; H138-D346 IonicContact CD2-OD2 3.97Å; H138-D346 IonicContact CE1-OD2 3.61Å; H138-D346 PolarHBondContact CE1-OD2 2.93Å; H138-D346 IonicContact NE2-OD1 2.94Å; H138-D346 IonicContact NE2-OD2 3.73Å; H138-D346 PolarHBondContact NE2-OD2 2.89Å
139	G	92.8	Very high	97	Very high	39 Å²	39	10.5 Å²	10.5	40%	0.402	7%	0.065	S	C	.	.	S	Bend	trans	65.9	26	-172.3	0	0	0	0	0	112.1
140	G	93.3	Very high	97.4	Very high	8 Å²	8	10.1 Å²	10.1	8%	0.082	6%	0.06	C	C	.	.	S	Bend	trans	117.7	148.9	-172.5	0	0	0	0	0	112.8	E116 H138 A142	E116-G140 WeakPolarHBondContact OE1-CA 3.5Å; E116-G140 PolarHBondContact OE1-N 3.45Å; H138-G140 PolarHBondContact O-N 3.43Å; G140-A142 VanDerWaalsContact C-N 3.28Å; G140-A142 PolarHBondContact O-N 2.93Å
141	W	94.8	Very high	97.5	Very high	75 Å²	75	9.8 Å²	9.8	28%	0.284	6%	0.058	S	C	.	.	S	Bend	trans	-75.1	-10.4	178.6	62.8	-84.5	0	0	0	115	P114 N115 C143 A144 Q145 F191	P114-W141 HydrophobicContact CB-CG 4.41Å; P114-W141 HydrophobicContact CG-CG 4.01Å; N115-W141 WeakPolarHBondContact O-CB 3.36Å; W141-C143 PolarHBondContact O-N 3.49Å; W141-A144 PolarHBondContact O-N 2.84Å; W141-Q145 HydrophobicContact CE3-CB 3.68Å; W141-Q145 HydrophobicContact CE3-CG 4.25Å; W141-Q145 HydrophobicContact CZ3-CB 3.81Å; W141-Q145 HydrophobicContact CZ3-CG 3.87Å; W141-Q145 WeakPolarHBondContact O-CB 3.22Å; W141-Q145 PolarHBondContact O-N 2.91Å; W141-F191 HydrophobicContact CZ3-CE2 4.43Å; W141-F191 HydrophobicContact CZ3-CZ 4.21Å
142	A	96	Very high	97.5	Very high	12 Å²	12	9.8 Å²	9.8	10%	0.099	6%	0.058	C	C	.	.	H	α-helix	trans	-63.8	-43.8	-167.4	0	0	0	0	0	112.6	G140 Q145 A146 Q257 V258	G140-A142 VanDerWaalsContact C-N 3.28Å; G140-A142 PolarHBondContact O-N 2.93Å; A142-Q145 PolarHBondContact O-N 3.29Å; A142-A146 PolarHBondContact O-N 3.23Å; A142-Q257 HydrophobicContact CB-CB 4.05Å; A142-V258 HydrophobicContact CB-CG2 4.11Å
143	C	98	Very high	97.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.1	-49.7	179.3	-164.5	0	0	0	0	111.1	W141 Q145 A146 V147 V258 A261 C263	W141-C143 PolarHBondContact O-N 3.49Å; C143-Q145 VanDerWaalsContact C-N 3.3Å; C143-Q145 PolarHBondContact O-N 3.47Å; C143-A146 PolarHBondContact O-N 2.9Å; C143-A146 VanDerWaalsContact O-N 3.15Å; C143-V147 WeakPolarHBondContact O-CB 3.12Å; C143-V147 VanDerWaalsContact O-CG2 3.31Å; C143-V147 WeakPolarHBondContact O-CG2 3.25Å; C143-V147 PolarHBondContact O-N 2.87Å; C143-V258 WeakPolarHBondContact CB-O 3.44Å; C143-V258 PolarHBondContact SG-O 3.38Å; C143-V258 VanDerWaalsContact SG-O 3.33Å; C143-A261 HydrophobicContact CB-CB 3.82Å; C143-C263 HydrophobicContact CB-CB 3.92Å
144	A	98.3	Very high	97.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.2	-40.3	177.6	0	0	0	0	0	112.6	E116 R118 F135 W141 S148 C263	E116-A144 VanDerWaalsContact O-CB 3.26Å; E116-A144 WeakPolarHBondContact O-CB 3.47Å; R118-A144 HydrophobicContact CG-CB 3.98Å; F135-A144 HydrophobicContact CB-CB 4.39Å; W141-A144 PolarHBondContact O-N 2.84Å; A144-S148 WeakPolarHBondContact O-CB 3.22Å; A144-S148 PolarHBondContact O-N 3.29Å; A144-S148 PolarHBondContact O-OG 3.08Å; A144-C263 VanDerWaalsContact CA-SG 3.52Å; A144-C263 HydrophobicContact CB-CB 4.16Å
145	Q	97.9	Very high	97.5	Very high	6 Å²	6	13.2 Å²	13.2	3%	0.028	7%	0.071	C	C	.	.	H	α-helix	trans	-58.9	-54.2	172.7	176.8	66.6	36.3	0	0	111.8	W141 A142 C143 V147 S148 E149 F191	W141-Q145 HydrophobicContact CE3-CB 3.68Å; W141-Q145 HydrophobicContact CE3-CG 4.25Å; W141-Q145 HydrophobicContact CZ3-CB 3.81Å; W141-Q145 HydrophobicContact CZ3-CG 3.87Å; W141-Q145 WeakPolarHBondContact O-CB 3.22Å; W141-Q145 PolarHBondContact O-N 2.91Å; A142-Q145 PolarHBondContact O-N 3.29Å; C143-Q145 VanDerWaalsContact C-N 3.3Å; C143-Q145 PolarHBondContact O-N 3.47Å; Q145-V147 PolarHBondContact O-N 2.99Å; Q145-S148 PolarHBondContact O-N 2.9Å; Q145-S148 PolarHBondContact O-OG 2.84Å; Q145-E149 PolarHBondContact O-N 2.79Å; Q145-F191 PolarHBondContact NE2-O 2.86Å
146	A	98.3	Very high	97.5	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.008	7%	0.071	C	C	.	.	H	α-helix	trans	-61.8	-43.5	-176.9	0	0	0	0	0	111.6	A142 C143 R150 V258	A142-A146 PolarHBondContact O-N 3.23Å; C143-A146 PolarHBondContact O-N 2.9Å; C143-A146 VanDerWaalsContact O-N 3.15Å; A146-R150 WeakPolarHBondContact O-CB 3.43Å; A146-R150 VanDerWaalsContact O-CD 3.25Å; A146-R150 WeakPolarHBondContact O-CD 3.4Å; A146-R150 WeakPolarHBondContact O-CG 3.31Å; A146-R150 PolarHBondContact O-N 3.49Å; A146-V258 HydrophobicContact CB-CB 4.4Å; A146-V258 HydrophobicContact CB-CG1 3.56Å; A146-V258 HydrophobicContact CB-CG2 3.83Å
147	V	98.8	Very high	97.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.9	-44.5	177.8	176.7	0	0	0	0	110.7	F135 C143 Q145 E149 R150 L151 L234 I238 C263 F344	F135-V147 HydrophobicContact CD1-CB 4.5Å; F135-V147 HydrophobicContact CD1-CG1 3.72Å; F135-V147 HydrophobicContact CE1-CG1 3.69Å; C143-V147 WeakPolarHBondContact O-CB 3.12Å; C143-V147 VanDerWaalsContact O-CG2 3.31Å; C143-V147 WeakPolarHBondContact O-CG2 3.25Å; C143-V147 PolarHBondContact O-N 2.87Å; Q145-V147 PolarHBondContact O-N 2.99Å; V147-E149 VanDerWaalsContact C-N 3.32Å; V147-E149 PolarHBondContact O-N 2.84Å; V147-R150 PolarHBondContact O-N 3.28Å; V147-L151 HydrophobicContact CG1-CB 4.06Å; V147-L151 HydrophobicContact CG1-CD2 3.94Å; V147-L151 VanDerWaalsContact O-CB 3.25Å; V147-L151 WeakPolarHBondContact O-CB 3.09Å; V147-L151 PolarHBondContact O-N 2.93Å; V147-L234 HydrophobicContact CG1-CD2 4.33Å; V147-L234 HydrophobicContact CG2-CD2 4.45Å; V147-I238 HydrophobicContact CG2-CD1 3.96Å; V147-C263 HydrophobicContact CG2-CB 4.45Å; V147-F344 HydrophobicContact CG1-CD2 3.91Å; V147-F344 HydrophobicContact CG1-CE2 3.95Å; V147-F344 HydrophobicContact CG1-CG 4.24Å; V147-F344 HydrophobicContact CG1-CZ 4.3Å; V147-F344 HydrophobicContact CG2-CB 3.73Å; V147-F344 HydrophobicContact CG2-CD1 3.92Å; V147-F344 HydrophobicContact CG2-CD2 4.12Å; V147-F344 HydrophobicContact CG2-CG 3.65Å
148	S	98.3	Very high	97.4	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.021	7%	0.069	C	C	.	.	H	α-helix	trans	-60.6	-36.8	-177.4	75.4	0	0	0	0	113.5	S120 A144 Q145 W184	S120-S148 PolarHBondContact OG-O 2.84Å; A144-S148 WeakPolarHBondContact O-CB 3.22Å; A144-S148 PolarHBondContact O-N 3.29Å; A144-S148 PolarHBondContact O-OG 3.08Å; Q145-S148 PolarHBondContact O-N 2.9Å; Q145-S148 PolarHBondContact O-OG 2.84Å; S148-W184 WeakPolarHBondContact O-CH2 3.11Å
149	E	96.9	Very high	97.5	Very high	13 Å²	13	12 Å²	12	6%	0.061	7%	0.065	C	C	.	.	H	α-helix	trans	-89.7	-15.1	-179.4	72.8	-172	149.3	0	0	114.1	Q145 V147 Y153 N192 Y193 Y200	Q145-E149 PolarHBondContact O-N 2.79Å; V147-E149 VanDerWaalsContact C-N 3.32Å; V147-E149 PolarHBondContact O-N 2.84Å; E149-Y153 WeakPolarHBondContact O-CD2 3.24Å; E149-N192 WeakPolarHBondContact OE2-CA 3.44Å; E149-N192 WeakPolarHBondContact OE2-CB 3.43Å; E149-Y193 PolarHBondContact OE2-N 3.42Å; E149-Y200 HydrophobicContact CG-CE2 4.4Å; E149-Y200 WeakPolarHBondContact OE1-CE2 3.48Å
150	R	98.6	Very high	97.7	Very high	7 Å²	7	10.1 Å²	10.1	3%	0.026	5%	0.046	C	C	.	.	H	α-helix	trans	-106.4	-45.3	-174.6	-64.8	171.5	64.1	171.4	0.4	113.6	A146 V147 L152 Y153 Y154 Y200 L234 E241	A146-R150 WeakPolarHBondContact O-CB 3.43Å; A146-R150 VanDerWaalsContact O-CD 3.25Å; A146-R150 WeakPolarHBondContact O-CD 3.4Å; A146-R150 WeakPolarHBondContact O-CG 3.31Å; A146-R150 PolarHBondContact O-N 3.49Å; V147-R150 PolarHBondContact O-N 3.28Å; R150-L152 VanDerWaalsContact C-N 3.26Å; R150-L152 PolarHBondContact O-N 3.26Å; R150-L152 VanDerWaalsContact O-N 3.14Å; R150-Y153 WeakPolarHBondContact O-CB 3.43Å; R150-Y153 PolarHBondContact O-N 3.32Å; R150-Y154 HydrophobicContact CB-CD2 4.49Å; R150-Y154 HydrophobicContact CB-CE2 4.31Å; R150-Y154 PolarHBondContact NH2-OH 3.12Å; R150-Y154 WeakPolarHBondContact O-CD2 3.33Å; R150-Y154 PolarHBondContact O-N 3.46Å; R150-Y200 HydrophobicContact CG-CD2 3.83Å; R150-Y200 HydrophobicContact CG-CE2 4.23Å; R150-Y200 HydrophobicContact CG-CG 4.01Å; R150-Y200 VanDerWaalsContact NH1-CD1 3.28Å; R150-L234 HydrophobicContact CB-CD1 3.91Å; R150-L234 HydrophobicContact CB-CD2 4.08Å; R150-L234 VanDerWaalsContact CZ-CD1 3.47Å; R150-L234 VanDerWaalsContact NE-CD1 3.3Å; R150-E241 IonicContact CZ-OE1 3.34Å; R150-E241 IonicContact CZ-OE2 3.6Å; R150-E241 IonicContact NH1-OE1 3.26Å; R150-E241 PolarHBondContact NH1-OE1 2.94Å; R150-E241 IonicContact NH1-OE2 2.72Å; R150-E241 PolarHBondContact NH1-OE2 2.81Å; R150-E241 IonicContact NH2-OE1 2.68Å; R150-E241 PolarHBondContact NH2-OE1 2.87Å; R150-E241 IonicContact NH2-OE2 2.65Å
151	L	98.9	Very high	97.9	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-57.3	-39.1	-166.4	-177.6	58.2	0	0	0	113.1	F135 V147 Y153 Y154 I155 A230 F231 L234 A265 V267 F344	F135-L151 HydrophobicContact CE1-CD2 3.97Å; V147-L151 HydrophobicContact CG1-CB 4.06Å; V147-L151 HydrophobicContact CG1-CD2 3.94Å; V147-L151 VanDerWaalsContact O-CB 3.25Å; V147-L151 WeakPolarHBondContact O-CB 3.09Å; V147-L151 PolarHBondContact O-N 2.93Å; L151-Y153 PolarHBondContact O-N 2.84Å; L151-Y154 PolarHBondContact O-N 2.83Å; L151-Y154 VanDerWaalsContact O-N 3.14Å; L151-I155 HydrophobicContact CD1-CD1 4.32Å; L151-I155 HydrophobicContact CD1-CG1 4.41Å; L151-I155 HydrophobicContact CG-CD1 3.91Å; L151-I155 HydrophobicContact CG-CG1 4.47Å; L151-I155 WeakPolarHBondContact O-CG1 3.32Å; L151-I155 PolarHBondContact O-N 3.17Å; L151-A230 HydrophobicContact CD1-CB 4.32Å; L151-F231 HydrophobicContact CD1-CD2 3.81Å; L151-F231 HydrophobicContact CD1-CE2 4.21Å; L151-F231 HydrophobicContact CD1-CG 4.33Å; L151-F231 HydrophobicContact CD2-CD2 4.08Å; L151-F231 HydrophobicContact CD2-CE1 4.37Å; L151-F231 HydrophobicContact CD2-CE2 3.7Å; L151-F231 HydrophobicContact CD2-CZ 3.86Å; L151-F231 HydrophobicContact CG-CD2 4.4Å; L151-F231 HydrophobicContact CG-CE2 4.3Å; L151-L234 HydrophobicContact CB-CD2 3.65Å; L151-L234 HydrophobicContact CD1-CB 4.38Å; L151-L234 HydrophobicContact CD1-CD2 3.89Å; L151-L234 HydrophobicContact CG-CD2 4.32Å; L151-A265 HydrophobicContact CD2-CB 4.4Å; L151-V267 HydrophobicContact CD2-CG2 3.82Å; L151-F344 HydrophobicContact CD1-CZ 3.95Å; L151-F344 HydrophobicContact CD2-CE2 4.06Å; L151-F344 HydrophobicContact CD2-CZ 3.93Å
152	L	98.7	Very high	97.9	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-64.1	-31.3	179.6	-77.1	56.5	0	0	0	111.8	A122 L131 F135 R150 A156 L182 W184	A122-L152 HydrophobicContact CB-CD2 4.08Å; L131-L152 HydrophobicContact CB-CD2 4.15Å; L131-L152 HydrophobicContact CB-CG 3.96Å; L131-L152 HydrophobicContact CD1-CB 4.09Å; L131-L152 HydrophobicContact CD1-CG 4.19Å; F135-L152 HydrophobicContact CZ-CD1 4.09Å; R150-L152 VanDerWaalsContact C-N 3.26Å; R150-L152 PolarHBondContact O-N 3.26Å; R150-L152 VanDerWaalsContact O-N 3.14Å; L152-A156 VanDerWaalsContact O-CB 3.27Å; L152-A156 WeakPolarHBondContact O-CB 3.29Å; L152-A156 PolarHBondContact O-N 3.38Å; L152-L182 HydrophobicContact CB-CD1 3.74Å; L152-W184 HydrophobicContact CB-CH2 4.03Å; L152-W184 HydrophobicContact CB-CZ2 4.35Å; L152-W184 HydrophobicContact CD2-CH2 3.83Å; L152-W184 HydrophobicContact CD2-CZ3 3.78Å; L152-W184 HydrophobicContact CG-CH2 4.45Å
153	Y	98.6	Very high	98	Very high	69 Å²	69	17 Å²	17	27%	0.271	8%	0.081	S	C	.	.	H	α-helix	trans	-69.2	-43.5	173.2	-76.6	-72.9	0	0	0	111.8	E149 R150 L151 I155 A156 V157 I181 L182 W184 L204	E149-Y153 WeakPolarHBondContact O-CD2 3.24Å; R150-Y153 WeakPolarHBondContact O-CB 3.43Å; R150-Y153 PolarHBondContact O-N 3.32Å; L151-Y153 PolarHBondContact O-N 2.84Å; Y153-I155 VanDerWaalsContact C-N 3.31Å; Y153-I155 PolarHBondContact O-N 3.15Å; Y153-A156 PolarHBondContact O-N 3.02Å; Y153-V157 WeakPolarHBondContact O-CB 3.06Å; Y153-V157 VanDerWaalsContact O-CG2 3.3Å; Y153-V157 WeakPolarHBondContact O-CG2 3.46Å; Y153-V157 PolarHBondContact O-N 3.43Å; Y153-I181 HydrophobicContact CD1-CB 4.07Å; Y153-I181 HydrophobicContact CD1-CD1 4.36Å; Y153-I181 HydrophobicContact CD1-CG2 3.84Å; Y153-I181 HydrophobicContact CE1-CB 4.07Å; Y153-I181 HydrophobicContact CE1-CG2 4.29Å; Y153-L182 HydrophobicContact CD1-CD1 3.78Å; Y153-L182 HydrophobicContact CD1-CG 4.11Å; Y153-L182 HydrophobicContact CD2-CD1 4.22Å; Y153-L182 HydrophobicContact CE1-CB 4.12Å; Y153-L182 HydrophobicContact CE1-CD1 3.92Å; Y153-L182 HydrophobicContact CE1-CG 4.1Å; Y153-L182 HydrophobicContact CE2-CD1 4.37Å; Y153-L182 HydrophobicContact CG-CD1 3.92Å; Y153-W184 AromaticContact CD2-CZ2 3.92Å; Y153-W184 HydrophobicContact CD2-CZ2 3.92Å; Y153-W184 AromaticContact CE2-CE2 3.89Å; Y153-W184 AromaticContact CE2-CZ2 3.53Å; Y153-W184 HydrophobicContact CE2-CZ2 3.53Å; Y153-W184 AromaticContact CE2-NE1 3.64Å; Y153-W184 AromaticContact CZ-NE1 3.38Å; Y153-W184 PolarHBondContact OH-NE1 2.98Å; Y153-L204 HydrophobicContact CD1-CD2 4.24Å; Y153-L204 HydrophobicContact CG-CD2 4.13Å
154	Y	98.8	Very high	97.9	Very high	3 Å²	3	18.2 Å²	18.2	1%	0.012	9%	0.088	C	C	.	.	H	α-helix	trans	-61.3	-42.6	177.2	-77	-103.1	0	0	0	110.8	R150 L151 A158 L204 F207 R233 L234 D237	R150-Y154 HydrophobicContact CB-CD2 4.49Å; R150-Y154 HydrophobicContact CB-CE2 4.31Å; R150-Y154 PolarHBondContact NH2-OH 3.12Å; R150-Y154 WeakPolarHBondContact O-CD2 3.33Å; R150-Y154 PolarHBondContact O-N 3.46Å; L151-Y154 PolarHBondContact O-N 2.83Å; L151-Y154 VanDerWaalsContact O-N 3.14Å; Y154-A158 WeakPolarHBondContact O-CB 3.3Å; Y154-A158 PolarHBondContact O-N 3.46Å; Y154-L204 HydrophobicContact CD1-CD1 4.32Å; Y154-L204 HydrophobicContact CD2-CD1 3.79Å; Y154-L204 HydrophobicContact CE1-CD1 4.39Å; Y154-L204 HydrophobicContact CE2-CD1 3.85Å; Y154-L204 HydrophobicContact CG-CD1 4.03Å; Y154-L204 PolarHBondContact OH-N 2.97Å; Y154-F207 HydrophobicContact CD1-CB 4.42Å; Y154-F207 AromaticContact CD1-CD1 3.51Å; Y154-F207 HydrophobicContact CD1-CD1 3.51Å; Y154-F207 AromaticContact CD1-CE1 3.91Å; Y154-F207 HydrophobicContact CD1-CE1 3.91Å; Y154-F207 HydrophobicContact CD1-CG 4.05Å; Y154-F207 HydrophobicContact CE1-CB 4.07Å; Y154-F207 HydrophobicContact CE1-CD1 4.02Å; Y154-F207 HydrophobicContact CE1-CG 4.18Å; Y154-F207 HydrophobicContact CG-CD1 4.29Å; Y154-F207 HydrophobicContact CG-CE1 4.5Å; Y154-F207 WeakPolarHBondContact O-CE1 3.19Å; Y154-R233 HydrophobicContact CD1-CB 4.28Å; Y154-R233 HydrophobicContact CD1-CG 3.64Å; Y154-R233 HydrophobicContact CE1-CG 3.66Å; Y154-L234 HydrophobicContact CD1-CB 4.43Å; Y154-L234 HydrophobicContact CD2-CB 4.4Å; Y154-L234 HydrophobicContact CD2-CD1 4.15Å; Y154-L234 HydrophobicContact CE2-CD1 3.75Å; Y154-L234 HydrophobicContact CG-CB 4.32Å; Y154-D237 VanDerWaalsContact CE1-OD2 3.24Å; Y154-D237 WeakPolarHBondContact CE1-OD2 3.14Å; Y154-D237 PolarHBondContact OH-OD2 3.27Å
155	I	98.8	Very high	97.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.7	-48.1	175.4	-62.3	161.5	0	0	0	110.5	L131 L151 Y153 V157 A158 M159 L227 A230 F231 V267	L131-I155 HydrophobicContact CD1-CB 4.15Å; L131-I155 HydrophobicContact CD1-CG2 4.02Å; L131-I155 HydrophobicContact CD2-CD1 4.43Å; L131-I155 HydrophobicContact CD2-CG2 3.79Å; L151-I155 HydrophobicContact CD1-CD1 4.32Å; L151-I155 HydrophobicContact CD1-CG1 4.41Å; L151-I155 HydrophobicContact CG-CD1 3.91Å; L151-I155 HydrophobicContact CG-CG1 4.47Å; L151-I155 WeakPolarHBondContact O-CG1 3.32Å; L151-I155 PolarHBondContact O-N 3.17Å; Y153-I155 VanDerWaalsContact C-N 3.31Å; Y153-I155 PolarHBondContact O-N 3.15Å; I155-V157 PolarHBondContact O-N 2.82Å; I155-A158 PolarHBondContact O-N 2.83Å; I155-M159 HydrophobicContact CG2-CE 3.88Å; I155-M159 HydrophobicContact CG2-SD 4.48Å; I155-M159 WeakPolarHBondContact O-CG 3.28Å; I155-M159 PolarHBondContact O-N 2.87Å; I155-L227 HydrophobicContact CD1-CD2 3.66Å; I155-L227 HydrophobicContact CG1-CD2 4.06Å; I155-L227 HydrophobicContact CG2-CD2 4.05Å; I155-L227 HydrophobicContact CG2-CG 4.45Å; I155-A230 HydrophobicContact CB-CB 4.22Å; I155-A230 HydrophobicContact CG1-CB 3.48Å; I155-A230 VanDerWaalsContact CG1-CB 3.48Å; I155-F231 HydrophobicContact CD1-CE2 4.4Å; I155-V267 HydrophobicContact CD1-CG1 3.86Å
156	A	98.3	Very high	97.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.8	-45.4	-178.6	0	0	0	0	0	112.3	L152 Y153 M159 M160 I181 L182	L152-A156 VanDerWaalsContact O-CB 3.27Å; L152-A156 WeakPolarHBondContact O-CB 3.29Å; L152-A156 PolarHBondContact O-N 3.38Å; Y153-A156 PolarHBondContact O-N 3.02Å; A156-M159 PolarHBondContact O-N 3.35Å; A156-M160 HydrophobicContact CB-CE 4.39Å; A156-M160 VanDerWaalsContact O-CG 3.25Å; A156-M160 WeakPolarHBondContact O-CG 3.26Å; A156-M160 PolarHBondContact O-N 3.45Å; A156-I181 HydrophobicContact CB-CG2 3.76Å; A156-L182 HydrophobicContact CB-CD2 3.85Å; A156-L182 HydrophobicContact CB-CG 4.3Å
157	V	98.2	Very high	97.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62	-44.3	177.9	163.5	0	0	0	0	111.3	Y153 I155 M159 M160 L165 I181 L204 F207 W208 L211	Y153-V157 WeakPolarHBondContact O-CB 3.06Å; Y153-V157 VanDerWaalsContact O-CG2 3.3Å; Y153-V157 WeakPolarHBondContact O-CG2 3.46Å; Y153-V157 PolarHBondContact O-N 3.43Å; I155-V157 PolarHBondContact O-N 2.82Å; V157-M159 PolarHBondContact O-N 3.38Å; V157-M160 HydrophobicContact CG2-CE 4.36Å; V157-M160 WeakPolarHBondContact O-CB 3.35Å; V157-M160 PolarHBondContact O-N 3.31Å; V157-L165 HydrophobicContact CG1-CD2 4.1Å; V157-I181 HydrophobicContact CG2-CD1 4.21Å; V157-L204 HydrophobicContact CB-CD1 4.42Å; V157-L204 HydrophobicContact CG2-CD1 3.98Å; V157-L204 HydrophobicContact CG2-CD2 4.41Å; V157-L204 HydrophobicContact CG2-CG 4.29Å; V157-F207 HydrophobicContact CB-CE1 4.42Å; V157-F207 HydrophobicContact CG1-CD1 3.92Å; V157-F207 HydrophobicContact CG1-CE1 4.01Å; V157-W208 HydrophobicContact CG1-CB 3.63Å; V157-W208 HydrophobicContact CG2-CE3 4.44Å; V157-L211 HydrophobicContact CG1-CD1 3.94Å
158	A	98.3	Very high	97.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.7	-26.2	178	0	0	0	0	0	113.5	Y154 I155 F207 H217 M221 A226	Y154-A158 WeakPolarHBondContact O-CB 3.3Å; Y154-A158 PolarHBondContact O-N 3.46Å; I155-A158 PolarHBondContact O-N 2.83Å; A158-F207 HydrophobicContact CB-CE1 4.23Å; A158-F207 HydrophobicContact CB-CZ 4.03Å; A158-H217 PolarHBondContact O-CE1 2.96Å; A158-M221 HydrophobicContact CB-SD 4.08Å; A158-M221 VanDerWaalsContact O-CB 3.28Å; A158-M221 WeakPolarHBondContact O-CB 3.47Å; A158-M221 PolarHBondContact O-N 3.36Å; A158-A226 HydrophobicContact CB-CB 3.79Å
159	M	97.6	Very high	97.6	Very high	16 Å²	16	27.3 Å²	27.3	8%	0.079	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-3.1	176	-66.1	-175.3	-62.2	0	0	113.7	I155 A156 V157 P223 A226	I155-M159 HydrophobicContact CG2-CE 3.88Å; I155-M159 HydrophobicContact CG2-SD 4.48Å; I155-M159 WeakPolarHBondContact O-CG 3.28Å; I155-M159 PolarHBondContact O-N 2.87Å; A156-M159 PolarHBondContact O-N 3.35Å; V157-M159 PolarHBondContact O-N 3.38Å; M159-P223 HydrophobicContact SD-CB 4.29Å; M159-P223 HydrophobicContact SD-CG 4.31Å; M159-A226 HydrophobicContact CG-CB 3.35Å; M159-A226 HydrophobicContact SD-CB 4.36Å
160	M	97.1	Very high	97.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-81.3	138.5	-177.9	-62.3	-167.2	-167	0	0	111	Q126 A156 V157 T164 L165 L168 I181 H217 G220	Q126-M160 HydrophobicContact CB-CE 3.59Å; Q126-M160 HydrophobicContact CB-CG 4.1Å; Q126-M160 HydrophobicContact CB-SD 3.6Å; Q126-M160 HydrophobicContact CG-CE 3.78Å; Q126-M160 HydrophobicContact CG-SD 3.93Å; A156-M160 HydrophobicContact CB-CE 4.39Å; A156-M160 VanDerWaalsContact O-CG 3.25Å; A156-M160 WeakPolarHBondContact O-CG 3.26Å; A156-M160 PolarHBondContact O-N 3.45Å; V157-M160 HydrophobicContact CG2-CE 4.36Å; V157-M160 WeakPolarHBondContact O-CB 3.35Å; V157-M160 PolarHBondContact O-N 3.31Å; M160-T164 HydrophobicContact SD-CG2 3.9Å; M160-L165 HydrophobicContact CB-CD2 3.7Å; M160-L165 HydrophobicContact CB-CG 4.03Å; M160-L165 HydrophobicContact CG-CD2 4.3Å; M160-L165 HydrophobicContact SD-CD2 4.08Å; M160-L168 HydrophobicContact SD-CD1 3.79Å; M160-I181 HydrophobicContact CE-CB 3.99Å; M160-I181 HydrophobicContact CE-CG1 3.93Å; M160-I181 HydrophobicContact CE-CG2 3.24Å; M160-H217 PolarHBondContact O-NE2 3.49Å; M160-G220 WeakPolarHBondContact O-CA 3.49Å
161	P	96.4	Very high	97.5	Very high	48 Å²	48	32.3 Å²	32.3	31%	0.312	16%	0.155	S	C	.	.			trans	-61.4	151.9	169.2	-20.6	32.2	0	0	0	111.5	Q163 T164 L165	P161-Q163 PolarHBondContact O-N 2.82Å; P161-Q163 VanDerWaalsContact O-N 3.17Å; P161-T164 WeakPolarHBondContact O-CB 3.47Å; P161-T164 PolarHBondContact O-N 2.96Å; P161-L165 PolarHBondContact O-N 2.85Å
162	K	96.4	Very high	97.2	Very high	34 Å²	34	35 Å²	35	15%	0.148	17%	0.168	C	C	.	.	H	α-helix	trans	-52.2	-41.5	179.7	-169.8	175.5	-176.8	164.6	0	112.9	T164 L165 E166 L212 E218	K162-T164 VanDerWaalsContact C-N 3.27Å; K162-T164 PolarHBondContact O-N 2.94Å; K162-L165 PolarHBondContact O-N 3.47Å; K162-L165 VanDerWaalsContact O-N 3.13Å; K162-E166 WeakPolarHBondContact O-CG 3.44Å; K162-E166 PolarHBondContact O-N 2.99Å; K162-L212 WeakPolarHBondContact CE-O 3.31Å; K162-L212 HydrophobicContact CG-CD2 3.75Å; K162-E218 WeakPolarHBondContact CD-OE1 3.24Å; K162-E218 PolarHBondContact N-O 2.92Å; K162-E218 IonicContact NZ-OE1 3.37Å; K162-E218 PolarHBondContact NZ-OE1 3.37Å
163	Q	96.2	Very high	97.1	Very high	158 Å²	158	41.3 Å²	41.3	74%	0.738	20%	0.197	S	C	*	.	H	α-helix	trans	-55.7	-40.4	176.9	-174.6	-178.4	12.2	0	0	112.9	P161 E167	P161-Q163 PolarHBondContact O-N 2.82Å; P161-Q163 VanDerWaalsContact O-N 3.17Å; Q163-E167 PolarHBondContact O-N 2.9Å
164	T	96.7	Very high	96.9	Very high	24 Å²	24	43.2 Å²	43.2	15%	0.147	21%	0.212	C	C	.	.	H	α-helix	trans	-72.1	-41.5	178.6	-57.3	0	0	0	0	110.8	Q126 M160 P161 K162 E166 E167 L168	Q126-T164 HydrophobicContact CB-CG2 4.07Å; Q126-T164 HydrophobicContact CG-CG2 4.19Å; M160-T164 HydrophobicContact SD-CG2 3.9Å; P161-T164 WeakPolarHBondContact O-CB 3.47Å; P161-T164 PolarHBondContact O-N 2.96Å; K162-T164 VanDerWaalsContact C-N 3.27Å; K162-T164 PolarHBondContact O-N 2.94Å; T164-E166 VanDerWaalsContact C-N 3.29Å; T164-E166 PolarHBondContact O-N 3.43Å; T164-E167 WeakPolarHBondContact O-CB 3.34Å; T164-E167 PolarHBondContact O-N 3.33Å; T164-E167 VanDerWaalsContact O-N 3.11Å; T164-L168 WeakPolarHBondContact O-CG 3.32Å; T164-L168 PolarHBondContact O-N 3.45Å
165	L	97.3	Very high	96.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-39.5	175.9	-63.3	-175.9	0	0	0	111.8	V157 M160 P161 K162 E167 L168 D169 W208 L211 L212	V157-L165 HydrophobicContact CG1-CD2 4.1Å; M160-L165 HydrophobicContact CB-CD2 3.7Å; M160-L165 HydrophobicContact CB-CG 4.03Å; M160-L165 HydrophobicContact CG-CD2 4.3Å; M160-L165 HydrophobicContact SD-CD2 4.08Å; P161-L165 PolarHBondContact O-N 2.85Å; K162-L165 PolarHBondContact O-N 3.47Å; K162-L165 VanDerWaalsContact O-N 3.13Å; L165-E167 VanDerWaalsContact C-N 3.3Å; L165-E167 PolarHBondContact O-N 3.21Å; L165-L168 HydrophobicContact CD2-CD1 4.25Å; L165-L168 PolarHBondContact O-N 3.24Å; L165-D169 PolarHBondContact O-N 3.03Å; L165-W208 HydrophobicContact CD2-CB 4.04Å; L165-L211 HydrophobicContact CD1-CB 3.82Å; L165-L211 HydrophobicContact CD1-CD1 4.15Å; L165-L212 HydrophobicContact CB-CD1 4.41Å; L165-L212 HydrophobicContact CB-CD2 3.59Å; L165-L212 HydrophobicContact CB-CG 3.95Å
166	E	96.9	Very high	96.5	Very high	78 Å²	78	53.8 Å²	53.8	36%	0.364	27%	0.273	S	S	.	.	H	α-helix	trans	-61.8	-38.1	174.5	-73	-174.3	-171.9	0	0	112.2	K162 T164 K170 L212	K162-E166 WeakPolarHBondContact O-CG 3.44Å; K162-E166 PolarHBondContact O-N 2.99Å; T164-E166 VanDerWaalsContact C-N 3.29Å; T164-E166 PolarHBondContact O-N 3.43Å; E166-K170 VanDerWaalsContact O-CB 3.28Å; E166-K170 WeakPolarHBondContact O-CB 3.27Å; E166-K170 WeakPolarHBondContact O-CD 3.5Å; E166-K170 WeakPolarHBondContact O-CG 3.44Å; E166-K170 PolarHBondContact O-N 3.26Å; E166-K170 IonicContact OE2-NZ 3.91Å; E166-K170 PolarHBondContact OE2-NZ 3.32Å; E166-L212 HydrophobicContact CB-CD2 4.48Å; E166-L212 HydrophobicContact CG-CD2 3.68Å
167	E	96.6	Very high	96.3	Very high	105 Å²	105	59.7 Å²	59.7	49%	0.491	31%	0.312	S	S	.	.	H	α-helix	trans	-66.6	-43.6	176.2	-175.7	177.3	-172.3	0	0	111.3	Q163 T164 L165 D169 C171 P179	Q163-E167 PolarHBondContact O-N 2.9Å; T164-E167 WeakPolarHBondContact O-CB 3.34Å; T164-E167 PolarHBondContact O-N 3.33Å; T164-E167 VanDerWaalsContact O-N 3.11Å; L165-E167 VanDerWaalsContact C-N 3.3Å; L165-E167 PolarHBondContact O-N 3.21Å; E167-D169 VanDerWaalsContact C-N 3.34Å; E167-D169 PolarHBondContact O-N 2.7Å; E167-C171 WeakPolarHBondContact O-CB 3.4Å; E167-C171 PolarHBondContact O-N 3.04Å; E167-P179 HydrophobicContact CG-CG 4.39Å
168	L	96.5	Very high	96.1	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-58.5	-47.5	175.4	-61.9	-174.7	0	0	0	111	M160 T164 L165 C171 M172 V178 P179 I181	M160-L168 HydrophobicContact SD-CD1 3.79Å; T164-L168 WeakPolarHBondContact O-CG 3.32Å; T164-L168 PolarHBondContact O-N 3.45Å; L165-L168 HydrophobicContact CD2-CD1 4.25Å; L165-L168 PolarHBondContact O-N 3.24Å; L168-C171 PolarHBondContact O-N 3.27Å; L168-M172 WeakPolarHBondContact O-CG 3.42Å; L168-M172 PolarHBondContact O-N 3.26Å; L168-V178 HydrophobicContact CB-CG1 4.48Å; L168-V178 HydrophobicContact CD2-CG1 3.71Å; L168-P179 HydrophobicContact CD2-CB 3.91Å; L168-P179 HydrophobicContact CD2-CG 3.96Å; L168-I181 HydrophobicContact CD1-CD1 4.1Å; L168-I181 HydrophobicContact CD1-CG1 4.22Å
169	D	97.1	Very high	95.9	Very high	18 Å²	18	63.5 Å²	63.5	10%	0.096	34%	0.335	C	S	.	.	H	α-helix	trans	-68.3	-44.2	-177.6	-158.3	54.1	0	0	0	111.6	L165 E167 C171 M172 E173 R205 W208 Q209 L212	L165-D169 PolarHBondContact O-N 3.03Å; E167-D169 VanDerWaalsContact C-N 3.34Å; E167-D169 PolarHBondContact O-N 2.7Å; D169-C171 VanDerWaalsContact C-N 3.29Å; D169-C171 PolarHBondContact O-N 2.92Å; D169-M172 WeakPolarHBondContact O-CB 3.47Å; D169-M172 PolarHBondContact O-N 2.94Å; D169-M172 VanDerWaalsContact O-N 3.09Å; D169-E173 WeakPolarHBondContact O-CG 3.45Å; D169-E173 PolarHBondContact O-N 3.25Å; D169-R205 IonicContact OD1-CZ 3.61Å; D169-R205 IonicContact OD1-NE 3.75Å; D169-R205 PolarHBondContact OD1-NE 3.13Å; D169-R205 IonicContact OD1-NH2 2.65Å; D169-R205 PolarHBondContact OD1-NH2 3.2Å; D169-R205 IonicContact OD2-NH2 3.71Å; D169-W208 PolarHBondContact OD1-NE1 2.81Å; D169-W208 VanDerWaalsContact OD1-NE1 3.08Å; D169-Q209 PolarHBondContact OD1-NE2 3.17Å; D169-Q209 VanDerWaalsContact OD1-NE2 3.15Å; D169-L212 HydrophobicContact CB-CD1 4.14Å
170	K	97.1	Very high	95.8	Very high	106 Å²	106	66.8 Å²	66.8	46%	0.461	36%	0.358	S	S	.	.	H	α-helix	trans	-57	-41.2	173.3	-74.5	165	-168.5	157.4	0	111.9	E166 L174	E166-K170 VanDerWaalsContact O-CB 3.28Å; E166-K170 WeakPolarHBondContact O-CB 3.27Å; E166-K170 WeakPolarHBondContact O-CD 3.5Å; E166-K170 WeakPolarHBondContact O-CG 3.44Å; E166-K170 PolarHBondContact O-N 3.26Å; E166-K170 IonicContact OE2-NZ 3.91Å; E166-K170 PolarHBondContact OE2-NZ 3.32Å; K170-L174 VanDerWaalsContact O-CB 3.31Å; K170-L174 WeakPolarHBondContact O-CB 3.44Å; K170-L174 VanDerWaalsContact O-CG 3.22Å; K170-L174 WeakPolarHBondContact O-CG 3.4Å; K170-L174 PolarHBondContact O-N 2.91Å
171	C	96.3	Very high	95.8	Very high	19 Å²	19	67.5 Å²	67.5	13%	0.128	36%	0.362	C	S	.	.	H	α-helix	trans	-64.5	-42.9	176	-81	0	0	0	0	112	E167 L168 D169 L174 G175 R176 V178	E167-C171 WeakPolarHBondContact O-CB 3.4Å; E167-C171 PolarHBondContact O-N 3.04Å; L168-C171 PolarHBondContact O-N 3.27Å; D169-C171 VanDerWaalsContact C-N 3.29Å; D169-C171 PolarHBondContact O-N 2.92Å; C171-L174 PolarHBondContact O-N 3.29Å; C171-G175 PolarHBondContact O-N 3.17Å; C171-G175 VanDerWaalsContact O-N 3.12Å; C171-R176 HydrophobicContact CB-CB 4.26Å; C171-R176 PolarHBondContact O-N 2.91Å; C171-V178 HydrophobicContact CB-CG2 4.33Å
172	M	94.5	Very high	95.8	Very high	58 Å²	58	65.9 Å²	65.9	29%	0.286	35%	0.35	S	S	.	.	H	α-helix	trans	-64	-42.8	176.5	-76.6	-73.4	-76.9	0	0	112.5	L168 D169 G175 V178 I201 W208	L168-M172 WeakPolarHBondContact O-CG 3.42Å; L168-M172 PolarHBondContact O-N 3.26Å; D169-M172 WeakPolarHBondContact O-CB 3.47Å; D169-M172 PolarHBondContact O-N 2.94Å; D169-M172 VanDerWaalsContact O-N 3.09Å; M172-G175 PolarHBondContact O-N 3.18Å; M172-V178 HydrophobicContact CG-CG2 3.59Å; M172-V178 HydrophobicContact SD-CG2 3.47Å; M172-V178 WeakPolarHBondContact SD-CG2 3.21Å; M172-I201 HydrophobicContact CE-CG2 3.93Å; M172-W208 HydrophobicContact CE-CH2 4.45Å; M172-W208 HydrophobicContact CG-CH2 4.2Å; M172-W208 HydrophobicContact CG-CZ2 3.94Å
173	E	94.9	Very high	95.8	Very high	131 Å²	131	68.8 Å²	68.8	61%	0.612	36%	0.364	S	S	*	.	H	α-helix	trans	-63.7	-42.2	176.7	-70.6	-171.7	151.1	0	0	112.7	D169 G175	D169-E173 WeakPolarHBondContact O-CG 3.45Å; D169-E173 PolarHBondContact O-N 3.25Å; E173-G175 VanDerWaalsContact C-N 3.27Å; E173-G175 PolarHBondContact O-N 3.2Å
174	L	96	Very high	95.8	Very high	109 Å²	109	63.7 Å²	63.7	57%	0.571	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	1.2	-177.8	-63.4	174.9	0	0	0	113.5	K170 C171 R176	K170-L174 VanDerWaalsContact O-CB 3.31Å; K170-L174 WeakPolarHBondContact O-CB 3.44Å; K170-L174 VanDerWaalsContact O-CG 3.22Å; K170-L174 WeakPolarHBondContact O-CG 3.4Å; K170-L174 PolarHBondContact O-N 2.91Å; C171-L174 PolarHBondContact O-N 3.29Å; L174-R176 HydrophobicContact CB-CG 3.96Å; L174-R176 PolarHBondContact O-N 2.92Å
175	G	93.7	Very high	95.8	Very high	70 Å²	70	64.2 Å²	64.2	72%	0.722	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	27.6	-175.6	0	0	0	0	0	113.6	C171 M172 E173	C171-G175 PolarHBondContact O-N 3.17Å; C171-G175 VanDerWaalsContact O-N 3.12Å; M172-G175 PolarHBondContact O-N 3.18Å; E173-G175 VanDerWaalsContact C-N 3.27Å; E173-G175 PolarHBondContact O-N 3.2Å
176	R	95.2	Very high	95.7	Very high	156 Å²	156	66.9 Å²	66.9	59%	0.589	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-88.6	157.8	177.2	-66.5	-178.9	-179.1	-175.5	1.8	110.6	C171 L174 V178	C171-R176 HydrophobicContact CB-CB 4.26Å; C171-R176 PolarHBondContact O-N 2.91Å; L174-R176 HydrophobicContact CB-CG 3.96Å; L174-R176 PolarHBondContact O-N 2.92Å; R176-V178 PolarHBondContact O-N 3.21Å
177	P	93.9	Very high	95.6	Very high	124 Å²	124	64 Å²	64	81%	0.805	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-55	123.2	172.2	-24.9	34.8	0	0	0	111.2
178	V	94	Very high	95.4	Very high	55 Å²	55	66.9 Å²	66.9	33%	0.333	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-75.9	131.8	177.4	-176.4	0	0	0	0	109.1	L168 C171 M172 R176	L168-V178 HydrophobicContact CB-CG1 4.48Å; L168-V178 HydrophobicContact CD2-CG1 3.71Å; C171-V178 HydrophobicContact CB-CG2 4.33Å; M172-V178 HydrophobicContact CG-CG2 3.59Å; M172-V178 HydrophobicContact SD-CG2 3.47Å; M172-V178 WeakPolarHBondContact SD-CG2 3.21Å; R176-V178 PolarHBondContact O-N 3.21Å
179	P	94.1	Very high	95.1	Very high	25 Å²	25	69 Å²	69	16%	0.162	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-51	137.5	172.3	-27.3	32.9	0	0	0	111.9	E167 L168 I181	E167-P179 HydrophobicContact CG-CG 4.39Å; L168-P179 HydrophobicContact CD2-CB 3.91Å; L168-P179 HydrophobicContact CD2-CG 3.96Å; P179-I181 PolarHBondContact O-N 3.25Å
180	P	95.2	Very high	94.9	Very high	84 Å²	84	69.5 Å²	69.5	55%	0.545	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-68.3	130.9	-176.8	29.8	-36.2	0	0	0	110.5	L125 Q126	L125-P180 WeakPolarHBondContact CB-O 3.3Å; L125-P180 HydrophobicContact CD1-CB 3.66Å; L125-P180 HydrophobicContact CD1-CG 3.85Å; Q126-P180 PolarHBondContact NE2-O 3.5Å
181	I	96.7	Very high	94.5	Very high	16 Å²	16	69.1 Å²	69.1	8%	0.082	37%	0.365	C	S	.	.			trans	-86.6	-44.9	-176.8	-62.6	170.2	0	0	0	111.4	L125 Y153 A156 V157 M160 L168 P179	L125-I181 PolarHBondContact N-O 3.37Å; Y153-I181 HydrophobicContact CD1-CB 4.07Å; Y153-I181 HydrophobicContact CD1-CD1 4.36Å; Y153-I181 HydrophobicContact CD1-CG2 3.84Å; Y153-I181 HydrophobicContact CE1-CB 4.07Å; Y153-I181 HydrophobicContact CE1-CG2 4.29Å; A156-I181 HydrophobicContact CB-CG2 3.76Å; V157-I181 HydrophobicContact CG2-CD1 4.21Å; M160-I181 HydrophobicContact CE-CB 3.99Å; M160-I181 HydrophobicContact CE-CG1 3.93Å; M160-I181 HydrophobicContact CE-CG2 3.24Å; L168-I181 HydrophobicContact CD1-CD1 4.1Å; L168-I181 HydrophobicContact CD1-CG1 4.22Å; P179-I181 PolarHBondContact O-N 3.25Å
182	L	96.7	Very high	94	Very high	14 Å²	14	71.8 Å²	71.8	7%	0.073	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.8	-176.9	-71	177.1	0	0	0	111.3	A122 T123 L131 L152 Y153 A156 W184	A122-L182 HydrophobicContact CB-CB 4.2Å; A122-L182 HydrophobicContact CB-CD1 4.23Å; A122-L182 HydrophobicContact CB-CD2 4.04Å; A122-L182 HydrophobicContact CB-CG 4.39Å; T123-L182 WeakPolarHBondContact O-CA 3.13Å; L131-L182 HydrophobicContact CD1-CD2 4.48Å; L152-L182 HydrophobicContact CB-CD1 3.74Å; Y153-L182 HydrophobicContact CD1-CD1 3.78Å; Y153-L182 HydrophobicContact CD1-CG 4.11Å; Y153-L182 HydrophobicContact CD2-CD1 4.22Å; Y153-L182 HydrophobicContact CE1-CB 4.12Å; Y153-L182 HydrophobicContact CE1-CD1 3.92Å; Y153-L182 HydrophobicContact CE1-CG 4.1Å; Y153-L182 HydrophobicContact CE2-CD1 4.37Å; Y153-L182 HydrophobicContact CG-CD1 3.92Å; A156-L182 HydrophobicContact CB-CD2 3.85Å; A156-L182 HydrophobicContact CB-CG 4.3Å; L182-W184 HydrophobicContact CD1-CZ2 3.7Å
183	Q	95.7	Very high	93.5	Very high	95 Å²	95	71.6 Å²	71.6	44%	0.444	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	109.5	161.7	178.6	175.9	7.3	0	0	109.2	A122 T123 L125	A122-Q183 CarbonylContact C-O 3.59Å; A122-Q183 WeakPolarHBondContact CA-O 3.24Å; A122-Q183 WeakPolarHBondContact CB-O 3.47Å; T123-Q183 PolarHBondContact N-O 2.92Å; T123-Q183 PolarHBondContact O-N 2.93Å; L125-Q183 HydrophobicContact CD1-CB 4.12Å; L125-Q183 HydrophobicContact CD2-CB 3.98Å; L125-Q183 HydrophobicContact CG-CB 4.19Å
184	W	96.8	Very high	93	Very high	51 Å²	51	75.3 Å²	75.3	19%	0.193	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	144.7	-177.6	-70.9	88.2	0	0	0	113	A122 S148 L152 Y153 L182 K186	A122-W184 HydrophobicContact CB-CD2 4.19Å; A122-W184 HydrophobicContact CB-CE3 4.24Å; A122-W184 HydrophobicContact CB-CG 4.5Å; S148-W184 WeakPolarHBondContact O-CH2 3.11Å; L152-W184 HydrophobicContact CB-CH2 4.03Å; L152-W184 HydrophobicContact CB-CZ2 4.35Å; L152-W184 HydrophobicContact CD2-CH2 3.83Å; L152-W184 HydrophobicContact CD2-CZ3 3.78Å; L152-W184 HydrophobicContact CG-CH2 4.45Å; Y153-W184 AromaticContact CD2-CZ2 3.92Å; Y153-W184 HydrophobicContact CD2-CZ2 3.92Å; Y153-W184 AromaticContact CE2-CE2 3.89Å; Y153-W184 AromaticContact CE2-CZ2 3.53Å; Y153-W184 HydrophobicContact CE2-CZ2 3.53Å; Y153-W184 AromaticContact CE2-NE1 3.64Å; Y153-W184 AromaticContact CZ-NE1 3.38Å; Y153-W184 PolarHBondContact OH-NE1 2.98Å; L182-W184 HydrophobicContact CD1-CZ2 3.7Å; W184-K186 HydrophobicContact CB-CG 4.39Å; W184-K186 HydrophobicContact CE3-CD 4.38Å; W184-K186 HydrophobicContact CE3-CG 4.27Å
185	Y	96.6	Very high	92.6	Very high	34 Å²	34	75 Å²	75	13%	0.133	38%	0.379	C	S	.	.			trans	-119.8	73.7	171.7	-57.8	-81	0	0	0	110.4	Q86 V88 F104 A121 T123 M130	Q86-Y185 PolarHBondContact NE2-O 3.45Å; V88-Y185 HydrophobicContact CG1-CD1 3.57Å; V88-Y185 HydrophobicContact CG1-CE1 3.97Å; V88-Y185 HydrophobicContact CG1-CG 4.11Å; F104-Y185 HydrophobicContact CE1-CD2 4.31Å; F104-Y185 HydrophobicContact CE1-CG 4.22Å; F104-Y185 HydrophobicContact CZ-CG 4.22Å; A121-Y185 PolarHBondContact O-N 3.44Å; T123-Y185 VanDerWaalsContact OG1-CE2 3.31Å; T123-Y185 WeakPolarHBondContact OG1-CE2 3.48Å; T123-Y185 PolarHBondContact OG1-OH 2.9Å; M130-Y185 HydrophobicContact CE-CD2 4.25Å; M130-Y185 HydrophobicContact CE-CE2 3.75Å
186	K	94.6	Very high	92.3	Very high	56 Å²	56	71.9 Å²	71.9	24%	0.243	35%	0.345	C	S	.	.			trans	-89.9	143.4	-179.2	-70.7	-173.3	176.8	-122.3	0	111.6	Q86 W184 D190 N192	Q86-K186 PolarHBondContact NE2-O 2.89Å; W184-K186 HydrophobicContact CB-CG 4.39Å; W184-K186 HydrophobicContact CE3-CD 4.38Å; W184-K186 HydrophobicContact CE3-CG 4.27Å; K186-D190 HydrophobicContact CB-CB 4.17Å; K186-D190 HydrophobicContact CG-CB 4.45Å; K186-N192 WeakPolarHBondContact CE-OD1 3.47Å; K186-N192 PolarHBondContact NZ-OD1 2.98Å
187	H	96	Very high	92.1	Very high	17 Å²	17	66.1 Å²	66.1	8%	0.079	33%	0.332	C	S	.	.			trans	-71.5	157.3	164.9	-175.1	-100.1	0	0	0	109	S83 Q86 S189 D190	S83-H187 PolarHBondContact O-CE1 3.16Å; Q86-H187 HydrophobicContact CB-CB 4.41Å; Q86-H187 HydrophobicContact CG-CB 4.39Å; H187-S189 PolarHBondContact CE1-OG 3.34Å; H187-S189 PolarHBondContact ND1-N 3.34Å; H187-S189 PolarHBondContact ND1-OG 3.36Å; H187-S189 PolarHBondContact O-N 3.47Å; H187-S189 VanDerWaalsContact O-N 3.14Å; H187-D190 VanDerWaalsContact CB-OD2 3.28Å; H187-D190 WeakPolarHBondContact CB-OD2 3.32Å; H187-D190 PolarHBondContact N-OD2 3.14Å; H187-D190 WeakPolarHBondContact O-CB 3.38Å; H187-D190 PolarHBondContact O-N 3.17Å
188	H	91.4	Very high	92.1	Very high	166 Å²	166	64.4 Å²	64.4	77%	0.769	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.9	-177.3	64.3	69.1	0	0	0	113.7
189	S	90.5	Very high	92.1	Very high	45 Å²	45	62.5 Å²	62.5	32%	0.315	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-15	173.2	59.5	0	0	0	0	113.1	N84 H187	N84-S189 PolarHBondContact OD1-OG 3.07Å; H187-S189 PolarHBondContact CE1-OG 3.34Å; H187-S189 PolarHBondContact ND1-N 3.34Å; H187-S189 PolarHBondContact ND1-OG 3.36Å; H187-S189 PolarHBondContact O-N 3.47Å; H187-S189 VanDerWaalsContact O-N 3.14Å
190	D	92.3	Very high	92.1	Very high	28 Å²	28	62.4 Å²	62.4	15%	0.15	31%	0.305	C	S	.	.			trans	-84.2	127.8	174.5	-48.1	-33.3	0	0	0	108.2	H108 R119 K186 H187	H108-D190 IonicContact CE1-OD1 3.9Å; R119-D190 IonicContact NE-OD1 3.65Å; R119-D190 IonicContact NE-OD2 2.78Å; R119-D190 PolarHBondContact NE-OD2 3.05Å; R119-D190 IonicContact NH2-OD1 3.49Å; R119-D190 IonicContact NH2-OD2 3.97Å; K186-D190 HydrophobicContact CB-CB 4.17Å; K186-D190 HydrophobicContact CG-CB 4.45Å; H187-D190 VanDerWaalsContact CB-OD2 3.28Å; H187-D190 WeakPolarHBondContact CB-OD2 3.32Å; H187-D190 PolarHBondContact N-OD2 3.14Å; H187-D190 WeakPolarHBondContact O-CB 3.38Å; H187-D190 PolarHBondContact O-N 3.17Å
191	F	88.8	Confident	92.1	Very high	98 Å²	98	62.6 Å²	62.6	43%	0.43	30%	0.3	S	S	.	.			trans	-122.7	167.1	-177.2	61.7	-87.9	0	0	0	112	W141 Q145 Y193	W141-F191 HydrophobicContact CZ3-CE2 4.43Å; W141-F191 HydrophobicContact CZ3-CZ 4.21Å; Q145-F191 PolarHBondContact NE2-O 2.86Å; F191-Y193 HydrophobicContact CE2-CD2 4.49Å
192	N	86.3	Confident	92.1	Very high	75 Å²	75	70.2 Å²	70.2	40%	0.401	33%	0.328	S	S	.	.			trans	-111.3	142.3	168.8	-69.2	-5.8	0	0	0	109.2	E149 K186 R194	E149-N192 WeakPolarHBondContact OE2-CA 3.44Å; E149-N192 WeakPolarHBondContact OE2-CB 3.43Å; K186-N192 WeakPolarHBondContact CE-OD1 3.47Å; K186-N192 PolarHBondContact NZ-OD1 2.98Å; N192-R194 PolarHBondContact O-N 3.03Å
193	Y	83.4	Confident	92.1	Very high	55 Å²	55	71 Å²	71	22%	0.216	33%	0.331	C	S	.	.			trans	-83.5	104.4	179.9	-156.9	-101.7	0	0	0	110.1	E149 F191 E195 S196 A197 T254	E149-Y193 PolarHBondContact OE2-N 3.42Å; F191-Y193 HydrophobicContact CE2-CD2 4.49Å; Y193-E195 HydrophobicContact CD1-CB 4.22Å; Y193-E195 HydrophobicContact CE1-CB 3.84Å; Y193-E195 HydrophobicContact CE1-CG 4.49Å; Y193-E195 PolarHBondContact O-N 3.47Å; Y193-S196 WeakPolarHBondContact CD1-OG 3.46Å; Y193-A197 PolarHBondContact O-N 3.08Å; Y193-T254 HydrophobicContact CD1-CG2 4.38Å; Y193-T254 HydrophobicContact CE1-CG2 4.05Å
194	R	85	Confident	92.2	Very high	209 Å²	209	67.1 Å²	67.1	79%	0.789	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-34.1	-166.4	-68.6	-175.3	178.3	-177	0.5	112.7	N192 S196 A197	N192-R194 PolarHBondContact O-N 3.03Å; R194-S196 VanDerWaalsContact C-N 3.27Å; R194-S196 PolarHBondContact O-N 2.75Å; R194-A197 WeakPolarHBondContact O-CB 3.45Å; R194-A197 PolarHBondContact O-N 3.17Å
195	E	87.1	Confident	92.2	Very high	103 Å²	103	67.3 Å²	67.3	48%	0.481	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-33.4	-176.6	-65.2	72.1	-162.5	0	0	111.3	Y193 L250	Y193-E195 HydrophobicContact CD1-CB 4.22Å; Y193-E195 HydrophobicContact CE1-CB 3.84Å; Y193-E195 HydrophobicContact CE1-CG 4.49Å; Y193-E195 PolarHBondContact O-N 3.47Å; E195-L250 HydrophobicContact CG-CD2 4.45Å
196	S	89.1	Confident	92.3	Very high	3 Å²	3	68.3 Å²	68.3	2%	0.021	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-8.8	178.1	-58	0	0	0	0	113.9	Y193 R194 P198 L199 Y200	Y193-S196 WeakPolarHBondContact CD1-OG 3.46Å; R194-S196 VanDerWaalsContact C-N 3.27Å; R194-S196 PolarHBondContact O-N 2.75Å; S196-P198 VanDerWaalsContact C-CD 3.48Å; S196-L199 WeakPolarHBondContact O-CB 3.22Å; S196-L199 PolarHBondContact O-N 2.89Å; S196-Y200 WeakPolarHBondContact CB-OH 3.43Å; S196-Y200 PolarHBondContact O-N 2.91Å
197	A	90.8	Very high	92.5	Very high	36 Å²	36	65.9 Å²	65.9	30%	0.298	31%	0.313	S	S	.	.	H	α-helix	trans	-56	-41.5	-176.6	0	0	0	0	0	114	Y193 R194 L199 Y200 I201	Y193-A197 PolarHBondContact O-N 3.08Å; R194-A197 WeakPolarHBondContact O-CB 3.45Å; R194-A197 PolarHBondContact O-N 3.17Å; A197-L199 VanDerWaalsContact C-N 3.3Å; A197-L199 PolarHBondContact O-N 2.72Å; A197-Y200 PolarHBondContact O-N 3.39Å; A197-I201 WeakPolarHBondContact O-CB 3.17Å; A197-I201 VanDerWaalsContact O-CG1 3.28Å; A197-I201 WeakPolarHBondContact O-CG1 3.38Å; A197-I201 PolarHBondContact O-N 2.64Å
198	P	92.6	Very high	92.5	Very high	88 Å²	88	65.4 Å²	65.4	57%	0.571	31%	0.311	S	S	*	.	H	α-helix	trans	-61	-37.8	176.1	-23.6	35.1	0	0	0	113.3	S196 R202	S196-P198 VanDerWaalsContact C-CD 3.48Å; P198-R202 WeakPolarHBondContact O-CB 3.41Å; P198-R202 PolarHBondContact O-N 3.04Å; P198-R202 VanDerWaalsContact O-N 3.12Å
199	L	93.8	Very high	92.8	Very high	15 Å²	15	60.5 Å²	60.5	8%	0.079	29%	0.288	C	S	.	.	H	α-helix	trans	-65.1	-48.5	176.6	179.1	64.3	0	0	0	110.4	S196 A197 I201 R202 H203 E241 L246	S196-L199 WeakPolarHBondContact O-CB 3.22Å; S196-L199 PolarHBondContact O-N 2.89Å; A197-L199 VanDerWaalsContact C-N 3.3Å; A197-L199 PolarHBondContact O-N 2.72Å; L199-I201 PolarHBondContact O-N 3.34Å; L199-R202 WeakPolarHBondContact O-CB 3.49Å; L199-R202 PolarHBondContact O-N 3.37Å; L199-R202 VanDerWaalsContact O-N 3.16Å; L199-H203 PolarHBondContact O-N 2.66Å; L199-E241 HydrophobicContact CD1-CG 4.34Å; L199-E241 HydrophobicContact CD2-CB 4.42Å; L199-E241 HydrophobicContact CD2-CG 4.14Å; L199-E241 HydrophobicContact CG-CG 4.3Å; L199-L246 HydrophobicContact CD1-CD2 3.86Å; L199-L246 HydrophobicContact CD2-CD1 4.02Å; L199-L246 HydrophobicContact CD2-CD2 4.3Å
200	Y	95.5	Very high	93.1	Very high	22 Å²	22	63.1 Å²	63.1	9%	0.086	30%	0.295	C	S	.	.	H	α-helix	trans	-64.3	-41.1	-178.2	-58.3	-17.6	0	0	0	112.5	E149 R150 S196 A197 R202 H203 L204	E149-Y200 HydrophobicContact CG-CE2 4.4Å; E149-Y200 WeakPolarHBondContact OE1-CE2 3.48Å; R150-Y200 HydrophobicContact CG-CD2 3.83Å; R150-Y200 HydrophobicContact CG-CE2 4.23Å; R150-Y200 HydrophobicContact CG-CG 4.01Å; R150-Y200 VanDerWaalsContact NH1-CD1 3.28Å; S196-Y200 WeakPolarHBondContact CB-OH 3.43Å; S196-Y200 PolarHBondContact O-N 2.91Å; A197-Y200 PolarHBondContact O-N 3.39Å; Y200-R202 VanDerWaalsContact C-N 3.3Å; Y200-R202 PolarHBondContact O-N 3.3Å; Y200-H203 PolarHBondContact O-N 3.23Å; Y200-L204 WeakPolarHBondContact O-CB 3.4Å; Y200-L204 PolarHBondContact O-N 3Å
201	I	95.4	Very high	93.4	Very high	88 Å²	88	62.2 Å²	62.2	45%	0.451	29%	0.29	S	S	.	.	H	α-helix	trans	-62.8	-40.2	175.5	-69	166.6	0	0	0	110.4	M172 A197 L199 R205	M172-I201 HydrophobicContact CE-CG2 3.93Å; A197-I201 WeakPolarHBondContact O-CB 3.17Å; A197-I201 VanDerWaalsContact O-CG1 3.28Å; A197-I201 WeakPolarHBondContact O-CG1 3.38Å; A197-I201 PolarHBondContact O-N 2.64Å; L199-I201 PolarHBondContact O-N 3.34Å; I201-R205 WeakPolarHBondContact O-CB 3.42Å; I201-R205 PolarHBondContact O-N 3.38Å
202	R	95.2	Very high	93.8	Very high	177 Å²	177	58.9 Å²	58.9	67%	0.668	28%	0.277	S	S	*	.	H	α-helix	trans	-62.8	-47.1	177.5	-176.8	-178.6	177.1	-173.4	-2.1	111.8	P198 L199 Y200 R205 V206	P198-R202 WeakPolarHBondContact O-CB 3.41Å; P198-R202 PolarHBondContact O-N 3.04Å; P198-R202 VanDerWaalsContact O-N 3.12Å; L199-R202 WeakPolarHBondContact O-CB 3.49Å; L199-R202 PolarHBondContact O-N 3.37Å; L199-R202 VanDerWaalsContact O-N 3.16Å; Y200-R202 VanDerWaalsContact C-N 3.3Å; Y200-R202 PolarHBondContact O-N 3.3Å; R202-R205 WeakPolarHBondContact O-CB 3.33Å; R202-R205 PolarHBondContact O-N 2.9Å; R202-V206 WeakPolarHBondContact O-CG2 3.27Å; R202-V206 PolarHBondContact O-N 2.74Å
203	H	96.8	Very high	94.3	Very high	30 Å²	30	61.8 Å²	61.8	14%	0.139	29%	0.293	C	S	.	.	H	α-helix	trans	-68	-39.2	178.8	-84.4	-95.5	0	0	0	112.5	L199 Y200 R205 V206 F207 D237 E241	L199-H203 PolarHBondContact O-N 2.66Å; Y200-H203 PolarHBondContact O-N 3.23Å; H203-R205 PolarHBondContact O-N 2.8Å; H203-V206 PolarHBondContact O-N 3.05Å; H203-F207 PolarHBondContact O-N 3.02Å; H203-D237 IonicContact CE1-OD1 2.66Å; H203-D237 IonicContact CG-OD1 3.47Å; H203-D237 IonicContact ND1-OD1 3.93Å; H203-D237 PolarHBondContact ND1-OD1 3Å; H203-E241 IonicContact CD2-OE1 3.41Å; H203-E241 PolarHBondContact CD2-OE1 3.4Å; H203-E241 IonicContact CG-OE1 3.59Å; H203-E241 VanDerWaalsContact CG-OE1 3.29Å; H203-E241 IonicContact ND1-OE1 3.32Å; H203-E241 IonicContact NE2-OE1 3.6Å
204	L	98.1	Very high	94.8	Very high	14 Å²	14	62.3 Å²	62.3	7%	0.073	30%	0.299	C	S	.	.	H	α-helix	trans	-60.2	-37.1	172.4	-173.1	68.8	0	0	0	111.5	Y153 Y154 V157 Y200 F207 W208	Y153-L204 HydrophobicContact CD1-CD2 4.24Å; Y153-L204 HydrophobicContact CG-CD2 4.13Å; Y154-L204 HydrophobicContact CD1-CD1 4.32Å; Y154-L204 HydrophobicContact CD2-CD1 3.79Å; Y154-L204 HydrophobicContact CE1-CD1 4.39Å; Y154-L204 HydrophobicContact CE2-CD1 3.85Å; Y154-L204 HydrophobicContact CG-CD1 4.03Å; Y154-L204 PolarHBondContact OH-N 2.97Å; V157-L204 HydrophobicContact CB-CD1 4.42Å; V157-L204 HydrophobicContact CG2-CD1 3.98Å; V157-L204 HydrophobicContact CG2-CD2 4.41Å; V157-L204 HydrophobicContact CG2-CG 4.29Å; Y200-L204 WeakPolarHBondContact O-CB 3.4Å; Y200-L204 PolarHBondContact O-N 3Å; L204-F207 HydrophobicContact CD1-CD1 4.45Å; L204-F207 WeakPolarHBondContact O-CB 3.48Å; L204-F207 PolarHBondContact O-N 3.26Å; L204-W208 HydrophobicContact CB-CZ3 4.49Å; L204-W208 HydrophobicContact CD2-CZ3 4.14Å; L204-W208 HydrophobicContact CG-CE3 4.06Å; L204-W208 HydrophobicContact CG-CZ3 4Å; L204-W208 VanDerWaalsContact O-CE3 3.26Å; L204-W208 PolarHBondContact O-N 2.97Å; L204-W208 VanDerWaalsContact O-N 3.08Å
205	R	97.4	Very high	95	Very high	54 Å²	54	60.5 Å²	60.5	20%	0.204	30%	0.299	C	S	.	.	H	α-helix	trans	-63.9	-47.2	174.6	175.5	161.9	-166.4	-150.8	-3.3	112.8	D169 I201 R202 H203 F207 W208 Q209	D169-R205 IonicContact OD1-CZ 3.61Å; D169-R205 IonicContact OD1-NE 3.75Å; D169-R205 PolarHBondContact OD1-NE 3.13Å; D169-R205 IonicContact OD1-NH2 2.65Å; D169-R205 PolarHBondContact OD1-NH2 3.2Å; D169-R205 IonicContact OD2-NH2 3.71Å; I201-R205 WeakPolarHBondContact O-CB 3.42Å; I201-R205 PolarHBondContact O-N 3.38Å; R202-R205 WeakPolarHBondContact O-CB 3.33Å; R202-R205 PolarHBondContact O-N 2.9Å; H203-R205 PolarHBondContact O-N 2.8Å; R205-F207 PolarHBondContact O-N 2.84Å; R205-W208 VanDerWaalsContact CA-CD2 3.5Å; R205-W208 VanDerWaalsContact CA-CE2 3.44Å; R205-W208 HydrophobicContact CB-CD2 4.3Å; R205-W208 HydrophobicContact CB-CE3 4.5Å; R205-W208 HydrophobicContact CB-CH2 3.65Å; R205-W208 HydrophobicContact CB-CZ2 3.39Å; R205-W208 HydrophobicContact CB-CZ3 4.2Å; R205-W208 HydrophobicContact CG-CD2 4.46Å; R205-W208 HydrophobicContact CG-CH2 4.13Å; R205-W208 HydrophobicContact CG-CZ2 3.35Å; R205-W208 PolarHBondContact O-N 3.18Å; R205-W208 PolarHBondContact O-NE1 2.91Å; R205-Q209 HydrophobicContact CG-CG 4.41Å; R205-Q209 VanDerWaalsContact O-CG 3.32Å; R205-Q209 WeakPolarHBondContact O-CG 3.5Å; R205-Q209 PolarHBondContact O-N 2.94Å
206	V	97.9	Very high	95.2	Very high	55 Å²	55	64.2 Å²	64.2	33%	0.333	32%	0.317	S	S	.	.	H	α-helix	trans	-58.1	-41.9	175.6	175.7	0	0	0	0	110.2	R202 H203 Q209 E210	R202-V206 WeakPolarHBondContact O-CG2 3.27Å; R202-V206 PolarHBondContact O-N 2.74Å; H203-V206 PolarHBondContact O-N 3.05Å; V206-Q209 PolarHBondContact O-N 3.42Å; V206-E210 WeakPolarHBondContact CG1-OE1 3.34Å; V206-E210 WeakPolarHBondContact O-CG 3.44Å; V206-E210 PolarHBondContact O-N 2.93Å
207	F	98.4	Very high	95.5	Very high	6 Å²	6	64.2 Å²	64.2	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-59.6	-49.2	176.8	175.5	-133.9	0	0	0	112.8	Y154 V157 A158 H203 L204 R205 Q209 E210 L211 R233	Y154-F207 HydrophobicContact CD1-CB 4.42Å; Y154-F207 AromaticContact CD1-CD1 3.51Å; Y154-F207 HydrophobicContact CD1-CD1 3.51Å; Y154-F207 AromaticContact CD1-CE1 3.91Å; Y154-F207 HydrophobicContact CD1-CE1 3.91Å; Y154-F207 HydrophobicContact CD1-CG 4.05Å; Y154-F207 HydrophobicContact CE1-CB 4.07Å; Y154-F207 HydrophobicContact CE1-CD1 4.02Å; Y154-F207 HydrophobicContact CE1-CG 4.18Å; Y154-F207 HydrophobicContact CG-CD1 4.29Å; Y154-F207 HydrophobicContact CG-CE1 4.5Å; Y154-F207 WeakPolarHBondContact O-CE1 3.19Å; V157-F207 HydrophobicContact CB-CE1 4.42Å; V157-F207 HydrophobicContact CG1-CD1 3.92Å; V157-F207 HydrophobicContact CG1-CE1 4.01Å; A158-F207 HydrophobicContact CB-CE1 4.23Å; A158-F207 HydrophobicContact CB-CZ 4.03Å; H203-F207 PolarHBondContact O-N 3.02Å; L204-F207 HydrophobicContact CD1-CD1 4.45Å; L204-F207 WeakPolarHBondContact O-CB 3.48Å; L204-F207 PolarHBondContact O-N 3.26Å; R205-F207 PolarHBondContact O-N 2.84Å; F207-Q209 VanDerWaalsContact C-N 3.27Å; F207-Q209 PolarHBondContact O-N 3.08Å; F207-E210 PolarHBondContact O-N 3.5Å; F207-L211 HydrophobicContact CD2-CD1 4.47Å; F207-L211 HydrophobicContact CD2-CG 4.29Å; F207-L211 HydrophobicContact CE1-CD1 4.05Å; F207-L211 HydrophobicContact CE2-CD1 4.03Å; F207-L211 HydrophobicContact CE2-CD2 3.97Å; F207-L211 HydrophobicContact CE2-CG 3.96Å; F207-L211 HydrophobicContact CZ-CD1 3.81Å; F207-L211 HydrophobicContact CZ-CD2 4.3Å; F207-L211 HydrophobicContact CZ-CG 4.25Å; F207-L211 WeakPolarHBondContact O-CG 3.33Å; F207-L211 PolarHBondContact O-N 2.99Å; F207-L211 VanDerWaalsContact O-N 3.14Å; F207-R233 HydrophobicContact CB-CG 4.38Å; F207-R233 HydrophobicContact CD1-CG 4.39Å; F207-R233 HydrophobicContact CD2-CG 3.63Å; F207-R233 HydrophobicContact CE2-CB 4.3Å; F207-R233 HydrophobicContact CE2-CG 3.9Å; F207-R233 HydrophobicContact CG-CG 3.87Å; F207-R233 HydrophobicContact CZ-CG 4.39Å
208	W	96.8	Very high	95.5	Very high	7 Å²	7	67.6 Å²	67.6	3%	0.027	33%	0.326	C	S	.	.	H	α-helix	trans	-69	-26.9	179.3	73	58.4	0	0	0	113.2	V157 L165 D169 M172 L204 R205 L211 L212	V157-W208 HydrophobicContact CG1-CB 3.63Å; V157-W208 HydrophobicContact CG2-CE3 4.44Å; L165-W208 HydrophobicContact CD2-CB 4.04Å; D169-W208 PolarHBondContact OD1-NE1 2.81Å; D169-W208 VanDerWaalsContact OD1-NE1 3.08Å; M172-W208 HydrophobicContact CE-CH2 4.45Å; M172-W208 HydrophobicContact CG-CH2 4.2Å; M172-W208 HydrophobicContact CG-CZ2 3.94Å; L204-W208 HydrophobicContact CB-CZ3 4.49Å; L204-W208 HydrophobicContact CD2-CZ3 4.14Å; L204-W208 HydrophobicContact CG-CE3 4.06Å; L204-W208 HydrophobicContact CG-CZ3 4Å; L204-W208 VanDerWaalsContact O-CE3 3.26Å; L204-W208 PolarHBondContact O-N 2.97Å; L204-W208 VanDerWaalsContact O-N 3.08Å; R205-W208 VanDerWaalsContact CA-CD2 3.5Å; R205-W208 VanDerWaalsContact CA-CE2 3.44Å; R205-W208 HydrophobicContact CB-CD2 4.3Å; R205-W208 HydrophobicContact CB-CE3 4.5Å; R205-W208 HydrophobicContact CB-CH2 3.65Å; R205-W208 HydrophobicContact CB-CZ2 3.39Å; R205-W208 HydrophobicContact CB-CZ3 4.2Å; R205-W208 HydrophobicContact CG-CD2 4.46Å; R205-W208 HydrophobicContact CG-CH2 4.13Å; R205-W208 HydrophobicContact CG-CZ2 3.35Å; R205-W208 PolarHBondContact O-N 3.18Å; R205-W208 PolarHBondContact O-NE1 2.91Å; W208-L211 WeakPolarHBondContact O-CB 3.36Å; W208-L211 PolarHBondContact O-N 3.01Å; W208-L212 WeakPolarHBondContact O-CG 3.35Å; W208-L212 PolarHBondContact O-N 3.38Å
209	Q	97.7	Very high	95.6	Very high	63 Å²	63	71.8 Å²	71.8	29%	0.294	34%	0.338	S	S	.	.	H	α-helix	trans	-67.8	-41.2	175	-73.5	177	-35.2	0	0	110.9	D169 R205 V206 F207 L211 L212 D213	D169-Q209 PolarHBondContact OD1-NE2 3.17Å; D169-Q209 VanDerWaalsContact OD1-NE2 3.15Å; R205-Q209 HydrophobicContact CG-CG 4.41Å; R205-Q209 VanDerWaalsContact O-CG 3.32Å; R205-Q209 WeakPolarHBondContact O-CG 3.5Å; R205-Q209 PolarHBondContact O-N 2.94Å; V206-Q209 PolarHBondContact O-N 3.42Å; F207-Q209 VanDerWaalsContact C-N 3.27Å; F207-Q209 PolarHBondContact O-N 3.08Å; Q209-L211 VanDerWaalsContact C-N 3.26Å; Q209-L211 PolarHBondContact O-N 3.31Å; Q209-L212 WeakPolarHBondContact O-CB 3.48Å; Q209-L212 PolarHBondContact O-N 3.16Å; Q209-L212 VanDerWaalsContact O-N 3.11Å; Q209-D213 PolarHBondContact O-N 2.83Å
210	E	97.8	Very high	95.6	Very high	99 Å²	99	72.1 Å²	72.1	46%	0.463	35%	0.345	S	S	.	.	H	α-helix	trans	-63.2	-32.8	172.4	-70.3	174.1	-137.4	0	0	112.6	V206 F207 N214 R233	V206-E210 WeakPolarHBondContact CG1-OE1 3.34Å; V206-E210 WeakPolarHBondContact O-CG 3.44Å; V206-E210 PolarHBondContact O-N 2.93Å; F207-E210 PolarHBondContact O-N 3.5Å; E210-N214 PolarHBondContact O-N 3.31Å; E210-R233 IonicContact OE1-CZ 2.94Å; E210-R233 IonicContact OE1-NH1 3.9Å; E210-R233 PolarHBondContact OE1-NH1 3.17Å; E210-R233 VanDerWaalsContact OE1-NH1 3.09Å; E210-R233 IonicContact OE1-NH2 3.88Å; E210-R233 PolarHBondContact OE1-NH2 3.42Å; E210-R233 IonicContact OE2-CZ 3.83Å; E210-R233 IonicContact OE2-NH1 3.03Å; E210-R233 PolarHBondContact OE2-NH1 3.35Å; E210-R233 IonicContact OE2-NH2 3.7Å
211	L	97.5	Very high	95.7	Very high	9 Å²	9	73 Å²	73	5%	0.047	35%	0.351	C	S	.	.	H	α-helix	trans	-68.3	-37.1	172.3	-65.9	178.4	0	0	0	112.3	V157 L165 F207 W208 Q209 D213 N214 H217 M221	V157-L211 HydrophobicContact CG1-CD1 3.94Å; L165-L211 HydrophobicContact CD1-CB 3.82Å; L165-L211 HydrophobicContact CD1-CD1 4.15Å; F207-L211 HydrophobicContact CD2-CD1 4.47Å; F207-L211 HydrophobicContact CD2-CG 4.29Å; F207-L211 HydrophobicContact CE1-CD1 4.05Å; F207-L211 HydrophobicContact CE2-CD1 4.03Å; F207-L211 HydrophobicContact CE2-CD2 3.97Å; F207-L211 HydrophobicContact CE2-CG 3.96Å; F207-L211 HydrophobicContact CZ-CD1 3.81Å; F207-L211 HydrophobicContact CZ-CD2 4.3Å; F207-L211 HydrophobicContact CZ-CG 4.25Å; F207-L211 WeakPolarHBondContact O-CG 3.33Å; F207-L211 PolarHBondContact O-N 2.99Å; F207-L211 VanDerWaalsContact O-N 3.14Å; W208-L211 WeakPolarHBondContact O-CB 3.36Å; W208-L211 PolarHBondContact O-N 3.01Å; Q209-L211 VanDerWaalsContact C-N 3.26Å; Q209-L211 PolarHBondContact O-N 3.31Å; L211-D213 VanDerWaalsContact C-N 3.32Å; L211-N214 PolarHBondContact O-N 3.21Å; L211-H217 WeakPolarHBondContact O-CB 3.24Å; L211-M221 HydrophobicContact CD2-CE 3.62Å
212	L	97.2	Very high	95.7	Very high	28 Å²	28	71.1 Å²	71.1	15%	0.147	35%	0.345	C	S	.	.	H	α-helix	trans	-64.7	-36.9	175.3	-75	172.9	0	0	0	112.3	K162 L165 E166 D169 W208 Q209 N214	K162-L212 WeakPolarHBondContact CE-O 3.31Å; K162-L212 HydrophobicContact CG-CD2 3.75Å; L165-L212 HydrophobicContact CB-CD1 4.41Å; L165-L212 HydrophobicContact CB-CD2 3.59Å; L165-L212 HydrophobicContact CB-CG 3.95Å; E166-L212 HydrophobicContact CB-CD2 4.48Å; E166-L212 HydrophobicContact CG-CD2 3.68Å; D169-L212 HydrophobicContact CB-CD1 4.14Å; W208-L212 WeakPolarHBondContact O-CG 3.35Å; W208-L212 PolarHBondContact O-N 3.38Å; Q209-L212 WeakPolarHBondContact O-CB 3.48Å; Q209-L212 PolarHBondContact O-N 3.16Å; Q209-L212 VanDerWaalsContact O-N 3.11Å; L212-N214 PolarHBondContact O-N 2.91Å
213	D	96.6	Very high	95.8	Very high	137 Å²	137	64.3 Å²	64.3	73%	0.733	32%	0.324	S	S	*	.	H	α-helix	trans	-72.1	-17.2	177.4	-70.7	-19.4	0	0	0	112.8	Q209 L211 E215	Q209-D213 PolarHBondContact O-N 2.83Å; L211-D213 VanDerWaalsContact C-N 3.32Å; D213-E215 PolarHBondContact O-N 2.86Å
214	N	94.4	Very high	95.9	Very high	65 Å²	65	67.8 Å²	67.8	35%	0.348	34%	0.34	S	S	.	.			trans	-82.7	113.8	176.9	-172.9	-7.3	0	0	0	111.4	E210 L211 L212 E216 H217	E210-N214 PolarHBondContact O-N 3.31Å; L211-N214 PolarHBondContact O-N 3.21Å; L212-N214 PolarHBondContact O-N 2.91Å; N214-E216 PolarHBondContact O-N 2.84Å; N214-E216 WeakPolarHBondContact OD1-CB 3.48Å; N214-E216 PolarHBondContact OD1-N 3.01Å; N214-H217 HydrophobicContact CB-CB 4.19Å; N214-H217 WeakPolarHBondContact O-CB 3.42Å; N214-H217 PolarHBondContact O-N 3.19Å; N214-H217 VanDerWaalsContact O-N 3.17Å
215	E	89.2	Confident	95.8	Very high	171 Å²	171	72.5 Å²	72.5	80%	0.799	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.9	178.2	-63.1	-171.4	171.5	0	0	113.6	D213 H217	D213-E215 PolarHBondContact O-N 2.86Å; E215-H217 VanDerWaalsContact C-N 3.31Å; E215-H217 PolarHBondContact O-N 3.38Å
216	E	91.5	Very high	95.9	Very high	181 Å²	181	69.9 Å²	69.9	85%	0.846	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-5.5	179.4	-60.8	-176.5	167.4	0	0	113.2	N214 E218	N214-E216 PolarHBondContact O-N 2.84Å; N214-E216 WeakPolarHBondContact OD1-CB 3.48Å; N214-E216 PolarHBondContact OD1-N 3.01Å; E216-E218 PolarHBondContact O-N 3.03Å
217	H	93.9	Very high	95.9	Very high	4 Å²	4	67.3 Å²	67.3	2%	0.019	34%	0.336	C	S	.	.			trans	-92.3	20.9	-172.7	-161.6	74.1	0	0	0	114.9	A158 M160 L211 N214 E215 E219 G220	A158-H217 PolarHBondContact O-CE1 2.96Å; M160-H217 PolarHBondContact O-NE2 3.49Å; L211-H217 WeakPolarHBondContact O-CB 3.24Å; N214-H217 HydrophobicContact CB-CB 4.19Å; N214-H217 WeakPolarHBondContact O-CB 3.42Å; N214-H217 PolarHBondContact O-N 3.19Å; N214-H217 VanDerWaalsContact O-N 3.17Å; E215-H217 VanDerWaalsContact C-N 3.31Å; E215-H217 PolarHBondContact O-N 3.38Å; H217-E219 PolarHBondContact O-N 2.86Å; H217-G220 PolarHBondContact O-N 2.83Å
218	E	92.4	Very high	95.9	Very high	107 Å²	107	68.2 Å²	68.2	50%	0.5	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-51.9	-172.2	-69.1	-63.6	143.6	0	0	113.5	K162 E216	K162-E218 WeakPolarHBondContact CD-OE1 3.24Å; K162-E218 PolarHBondContact N-O 2.92Å; K162-E218 IonicContact NZ-OE1 3.37Å; K162-E218 PolarHBondContact NZ-OE1 3.37Å; E216-E218 PolarHBondContact O-N 3.03Å
219	E	93.5	Very high	96	Very high	176 Å²	176	69.1 Å²	69.1	82%	0.822	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-3.1	-178.1	-63.1	-169.6	169.5	0	0	114.3	H217	H217-E219 PolarHBondContact O-N 2.86Å
220	G	95.4	Very high	96.1	Very high	21 Å²	21	66.1 Å²	66.1	22%	0.216	34%	0.336	C	S	.	.			trans	82.2	166.3	-167.8	0	0	0	0	0	112.9	M160 H217	M160-G220 WeakPolarHBondContact O-CA 3.49Å; H217-G220 PolarHBondContact O-N 2.83Å
221	M	96.9	Very high	96.1	Very high	42 Å²	42	61.4 Å²	61.4	21%	0.207	31%	0.314	C	S	.	.			trans	-77.7	151.1	-179.3	-67.4	175.5	-170.2	0	0	112.2	A158 L211 E225 A226 C229	A158-M221 HydrophobicContact CB-SD 4.08Å; A158-M221 VanDerWaalsContact O-CB 3.28Å; A158-M221 WeakPolarHBondContact O-CB 3.47Å; A158-M221 PolarHBondContact O-N 3.36Å; L211-M221 HydrophobicContact CD2-CE 3.62Å; M221-E225 HydrophobicContact CB-CB 3.94Å; M221-E225 HydrophobicContact CG-CB 4.31Å; M221-E225 HydrophobicContact SD-CB 4.44Å; M221-A226 HydrophobicContact CB-CB 4.01Å; M221-C229 HydrophobicContact CE-CB 4.31Å; M221-C229 HydrophobicContact SD-CB 3.76Å
222	S	96.2	Very high	96.2	Very high	48 Å²	48	67 Å²	67	34%	0.336	33%	0.334	S	S	.	.			trans	-60.9	156.5	165.5	68	0	0	0	0	110.8	Q224 E225 A226	S222-Q224 PolarHBondContact O-N 3.49Å; S222-Q224 VanDerWaalsContact O-N 3.15Å; S222-E225 WeakPolarHBondContact CB-OE2 3.09Å; S222-E225 PolarHBondContact N-OE2 2.79Å; S222-E225 PolarHBondContact O-N 3.4Å; S222-E225 VanDerWaalsContact O-N 3.12Å; S222-E225 WeakPolarHBondContact OG-CG 3.21Å; S222-E225 PolarHBondContact OG-N 3.41Å; S222-E225 PolarHBondContact OG-OE2 2.74Å; S222-A226 VanDerWaalsContact O-CB 3.3Å; S222-A226 WeakPolarHBondContact O-CB 3.12Å; S222-A226 PolarHBondContact O-N 3.1Å
223	P	96.9	Very high	96.2	Very high	34 Å²	34	67.1 Å²	67.1	22%	0.221	33%	0.333	C	S	.	.	H	α-helix	trans	-54.4	-37.2	178.5	-28.2	35.6	0	0	0	113.5	M159 L227	M159-P223 HydrophobicContact SD-CB 4.29Å; M159-P223 HydrophobicContact SD-CG 4.31Å; P223-L227 WeakPolarHBondContact O-CB 3.5Å; P223-L227 WeakPolarHBondContact O-CD1 3.07Å; P223-L227 WeakPolarHBondContact O-CG 3.4Å; P223-L227 PolarHBondContact O-N 2.81Å
224	Q	97.3	Very high	96.4	Very high	103 Å²	103	60.6 Å²	60.6	48%	0.481	30%	0.298	S	S	.	.	H	α-helix	trans	-63.9	-49	176.7	176.6	173.3	-6.6	0	0	112.1	S222 S228 I394	S222-Q224 PolarHBondContact O-N 3.49Å; S222-Q224 VanDerWaalsContact O-N 3.15Å; Q224-S228 PolarHBondContact O-N 3.5Å; Q224-I394 HydrophobicContact CB-CG2 4.47Å; Q224-I394 HydrophobicContact CG-CB 4.46Å; Q224-I394 HydrophobicContact CG-CD1 4.23Å; Q224-I394 HydrophobicContact CG-CG2 4.03Å; Q224-I394 WeakPolarHBondContact O-CD1 3.21Å
225	E	97.8	Very high	96.6	Very high	112 Å²	112	58.3 Å²	58.3	52%	0.523	29%	0.286	S	S	.	.	H	α-helix	trans	-66.4	-43	178.8	-70.7	159.3	153.9	0	0	111.4	M221 S222 L227 S228 C229	M221-E225 HydrophobicContact CB-CB 3.94Å; M221-E225 HydrophobicContact CG-CB 4.31Å; M221-E225 HydrophobicContact SD-CB 4.44Å; S222-E225 WeakPolarHBondContact CB-OE2 3.09Å; S222-E225 PolarHBondContact N-OE2 2.79Å; S222-E225 PolarHBondContact O-N 3.4Å; S222-E225 VanDerWaalsContact O-N 3.12Å; S222-E225 WeakPolarHBondContact OG-CG 3.21Å; S222-E225 PolarHBondContact OG-N 3.41Å; S222-E225 PolarHBondContact OG-OE2 2.74Å; E225-L227 PolarHBondContact O-N 3.17Å; E225-S228 PolarHBondContact O-N 2.77Å; E225-C229 VanDerWaalsContact O-CB 3.24Å; E225-C229 WeakPolarHBondContact O-CB 3.31Å; E225-C229 PolarHBondContact O-N 2.83Å
226	A	98.4	Very high	97	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.8	-44.7	178	0	0	0	0	0	111.8	A158 M159 M221 S222 C229 A230	A158-A226 HydrophobicContact CB-CB 3.79Å; M159-A226 HydrophobicContact CG-CB 3.35Å; M159-A226 HydrophobicContact SD-CB 4.36Å; M221-A226 HydrophobicContact CB-CB 4.01Å; S222-A226 VanDerWaalsContact O-CB 3.3Å; S222-A226 WeakPolarHBondContact O-CB 3.12Å; S222-A226 PolarHBondContact O-N 3.1Å; A226-C229 PolarHBondContact O-N 3.02Å; A226-A230 WeakPolarHBondContact O-CB 3.25Å; A226-A230 PolarHBondContact O-N 3.45Å
227	L	98.7	Very high	97.3	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-48.6	175.5	-75.7	164.6	0	0	0	111.4	I155 P223 E225 C229 F231 V267 H269 H276 A278 I394	I155-L227 HydrophobicContact CD1-CD2 3.66Å; I155-L227 HydrophobicContact CG1-CD2 4.06Å; I155-L227 HydrophobicContact CG2-CD2 4.05Å; I155-L227 HydrophobicContact CG2-CG 4.45Å; P223-L227 WeakPolarHBondContact O-CB 3.5Å; P223-L227 WeakPolarHBondContact O-CD1 3.07Å; P223-L227 WeakPolarHBondContact O-CG 3.4Å; P223-L227 PolarHBondContact O-N 2.81Å; E225-L227 PolarHBondContact O-N 3.17Å; L227-C229 PolarHBondContact O-N 3.39Å; L227-F231 HydrophobicContact CD2-CE2 4.39Å; L227-F231 WeakPolarHBondContact O-CD2 3.37Å; L227-F231 PolarHBondContact O-N 3.48Å; L227-V267 HydrophobicContact CD2-CG1 4.23Å; L227-H269 HydrophobicContact CD1-CB 4.38Å; L227-H276 HydrophobicContact CD1-CB 3.67Å; L227-A278 HydrophobicContact CB-CB 3.91Å; L227-A278 HydrophobicContact CD1-CB 4.1Å; L227-A278 HydrophobicContact CD2-CB 3.94Å; L227-A278 HydrophobicContact CG-CB 4.2Å; L227-I394 HydrophobicContact CB-CD1 3.9Å
228	S	98.6	Very high	97.6	Very high	25 Å²	25	43.9 Å²	43.9	18%	0.175	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-43.8	178.8	-179.9	0	0	0	0	112.6	Q224 E225 R232	Q224-S228 PolarHBondContact O-N 3.5Å; E225-S228 PolarHBondContact O-N 2.77Å; S228-R232 PolarHBondContact O-N 2.87Å; S228-R232 PolarHBondContact O-NE 2.82Å; S228-R232 PolarHBondContact OG-NH2 2.85Å
229	C	98.6	Very high	97.8	Very high	26 Å²	26	39.9 Å²	39.9	18%	0.176	21%	0.211	C	C	.	.	H	α-helix	trans	-64.8	-49.5	179.7	-178.5	0	0	0	0	110.8	M221 E225 A226 L227 F231 R232 R233	M221-C229 HydrophobicContact CE-CB 4.31Å; M221-C229 HydrophobicContact SD-CB 3.76Å; E225-C229 VanDerWaalsContact O-CB 3.24Å; E225-C229 WeakPolarHBondContact O-CB 3.31Å; E225-C229 PolarHBondContact O-N 2.83Å; A226-C229 PolarHBondContact O-N 3.02Å; L227-C229 PolarHBondContact O-N 3.39Å; C229-F231 PolarHBondContact O-N 3.48Å; C229-R232 PolarHBondContact O-N 3.26Å; C229-R233 WeakPolarHBondContact O-CB 3.49Å; C229-R233 PolarHBondContact O-N 2.97Å
230	A	98.8	Very high	98	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.4	-40.3	-176.7	0	0	0	0	0	113.1	L151 I155 A226 L234	L151-A230 HydrophobicContact CD1-CB 4.32Å; I155-A230 HydrophobicContact CB-CB 4.22Å; I155-A230 HydrophobicContact CG1-CB 3.48Å; I155-A230 VanDerWaalsContact CG1-CB 3.48Å; A226-A230 WeakPolarHBondContact O-CB 3.25Å; A226-A230 PolarHBondContact O-N 3.45Å; A230-L234 WeakPolarHBondContact O-CB 3.35Å; A230-L234 PolarHBondContact O-N 2.98Å
231	F	98.8	Very high	98	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.9	-53.3	176.8	-86.6	-123.9	0	0	0	111.1	L151 I155 L227 C229 R233 L234 D235 A265 V267 A278 A280 F344 V390 P392	L151-F231 HydrophobicContact CD1-CD2 3.81Å; L151-F231 HydrophobicContact CD1-CE2 4.21Å; L151-F231 HydrophobicContact CD1-CG 4.33Å; L151-F231 HydrophobicContact CD2-CD2 4.08Å; L151-F231 HydrophobicContact CD2-CE1 4.37Å; L151-F231 HydrophobicContact CD2-CE2 3.7Å; L151-F231 HydrophobicContact CD2-CZ 3.86Å; L151-F231 HydrophobicContact CG-CD2 4.4Å; L151-F231 HydrophobicContact CG-CE2 4.3Å; I155-F231 HydrophobicContact CD1-CE2 4.4Å; L227-F231 HydrophobicContact CD2-CE2 4.39Å; L227-F231 WeakPolarHBondContact O-CD2 3.37Å; L227-F231 PolarHBondContact O-N 3.48Å; C229-F231 PolarHBondContact O-N 3.48Å; F231-R233 VanDerWaalsContact C-N 3.32Å; F231-R233 PolarHBondContact O-N 3.14Å; F231-L234 PolarHBondContact O-N 3.36Å; F231-D235 PolarHBondContact O-N 2.92Å; F231-D235 VanDerWaalsContact O-N 3.16Å; F231-A265 HydrophobicContact CE1-CB 3.8Å; F231-A265 HydrophobicContact CZ-CB 4.18Å; F231-V267 HydrophobicContact CE2-CB 4.26Å; F231-V267 HydrophobicContact CE2-CG2 4.18Å; F231-V267 HydrophobicContact CZ-CB 4.1Å; F231-V267 HydrophobicContact CZ-CG2 3.86Å; F231-A278 HydrophobicContact CE2-CB 3.87Å; F231-A278 HydrophobicContact CZ-CB 3.88Å; F231-A280 HydrophobicContact CD1-CB 4.11Å; F231-A280 HydrophobicContact CE1-CB 4.02Å; F231-F344 HydrophobicContact CB-CZ 3.99Å; F231-F344 AromaticContact CD1-CE2 3.6Å; F231-F344 HydrophobicContact CD1-CE2 3.6Å; F231-F344 AromaticContact CD1-CZ 3.61Å; F231-F344 HydrophobicContact CD1-CZ 3.61Å; F231-F344 AromaticContact CE1-CE2 3.88Å; F231-F344 HydrophobicContact CE1-CE2 3.88Å; F231-F344 HydrophobicContact CE1-CZ 4.24Å; F231-F344 HydrophobicContact CG-CE2 4.24Å; F231-F344 AromaticContact CG-CZ 3.78Å; F231-F344 HydrophobicContact CG-CZ 3.78Å; F231-F344 VanDerWaalsContact O-CE1 3.28Å; F231-F344 WeakPolarHBondContact O-CE1 3.34Å; F231-V390 HydrophobicContact CD1-CG2 4.28Å; F231-P392 HydrophobicContact CB-CG 3.91Å; F231-P392 HydrophobicContact CD1-CB 3.78Å; F231-P392 HydrophobicContact CD1-CG 3.83Å; F231-P392 HydrophobicContact CD2-CG 4.16Å; F231-P392 HydrophobicContact CE1-CB 3.91Å; F231-P392 HydrophobicContact CE1-CG 4.34Å; F231-P392 HydrophobicContact CG-CB 4.19Å; F231-P392 HydrophobicContact CG-CG 3.72Å; F231-P392 HydrophobicContact CZ-CB 4.42Å
232	R	98.8	Very high	97.8	Very high	126 Å²	126	33 Å²	33	48%	0.475	18%	0.175	S	C	.	.	H	α-helix	trans	-62.8	-40.2	180	-70.8	-177.9	-71.5	136.8	-6.9	112	S228 C229 A236 V390	S228-R232 PolarHBondContact O-N 2.87Å; S228-R232 PolarHBondContact O-NE 2.82Å; S228-R232 PolarHBondContact OG-NH2 2.85Å; C229-R232 PolarHBondContact O-N 3.26Å; R232-A236 WeakPolarHBondContact O-CB 3.39Å; R232-A236 PolarHBondContact O-N 2.94Å; R232-V390 HydrophobicContact CG-CG1 4.48Å
233	R	98.8	Very high	97.7	Very high	31 Å²	31	34 Å²	34	12%	0.117	18%	0.175	C	C	.	.	H	α-helix	trans	-64.6	-50.5	179.2	175	54.9	178.7	-119.9	15	111.7	Y154 F207 E210 C229 F231 D235 A236 D237	Y154-R233 HydrophobicContact CD1-CB 4.28Å; Y154-R233 HydrophobicContact CD1-CG 3.64Å; Y154-R233 HydrophobicContact CE1-CG 3.66Å; F207-R233 HydrophobicContact CB-CG 4.38Å; F207-R233 HydrophobicContact CD1-CG 4.39Å; F207-R233 HydrophobicContact CD2-CG 3.63Å; F207-R233 HydrophobicContact CE2-CB 4.3Å; F207-R233 HydrophobicContact CE2-CG 3.9Å; F207-R233 HydrophobicContact CG-CG 3.87Å; F207-R233 HydrophobicContact CZ-CG 4.39Å; E210-R233 IonicContact OE1-CZ 2.94Å; E210-R233 IonicContact OE1-NH1 3.9Å; E210-R233 PolarHBondContact OE1-NH1 3.17Å; E210-R233 VanDerWaalsContact OE1-NH1 3.09Å; E210-R233 IonicContact OE1-NH2 3.88Å; E210-R233 PolarHBondContact OE1-NH2 3.42Å; E210-R233 IonicContact OE2-CZ 3.83Å; E210-R233 IonicContact OE2-NH1 3.03Å; E210-R233 PolarHBondContact OE2-NH1 3.35Å; E210-R233 IonicContact OE2-NH2 3.7Å; C229-R233 WeakPolarHBondContact O-CB 3.49Å; C229-R233 PolarHBondContact O-N 2.97Å; F231-R233 VanDerWaalsContact C-N 3.32Å; F231-R233 PolarHBondContact O-N 3.14Å; R233-D235 VanDerWaalsContact C-N 3.3Å; R233-D235 PolarHBondContact O-N 3.04Å; R233-A236 WeakPolarHBondContact O-CB 3.37Å; R233-A236 PolarHBondContact O-N 3.26Å; R233-D237 WeakPolarHBondContact CD-OD2 3.32Å; R233-D237 IonicContact CZ-OD2 3.86Å; R233-D237 IonicContact NE-OD1 3.65Å; R233-D237 IonicContact NE-OD2 3.8Å; R233-D237 PolarHBondContact NE-OD2 3.11Å; R233-D237 IonicContact NH2-OD1 3.37Å; R233-D237 IonicContact NH2-OD2 3.46Å; R233-D237 PolarHBondContact O-N 2.89Å
234	L	98.8	Very high	97.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-39.6	-178.5	174.5	62	0	0	0	111.7	V147 R150 L151 Y154 A230 F231 D237 I238 F344	V147-L234 HydrophobicContact CG1-CD2 4.33Å; V147-L234 HydrophobicContact CG2-CD2 4.45Å; R150-L234 HydrophobicContact CB-CD1 3.91Å; R150-L234 HydrophobicContact CB-CD2 4.08Å; R150-L234 VanDerWaalsContact CZ-CD1 3.47Å; R150-L234 VanDerWaalsContact NE-CD1 3.3Å; L151-L234 HydrophobicContact CB-CD2 3.65Å; L151-L234 HydrophobicContact CD1-CB 4.38Å; L151-L234 HydrophobicContact CD1-CD2 3.89Å; L151-L234 HydrophobicContact CG-CD2 4.32Å; Y154-L234 HydrophobicContact CD1-CB 4.43Å; Y154-L234 HydrophobicContact CD2-CB 4.4Å; Y154-L234 HydrophobicContact CD2-CD1 4.15Å; Y154-L234 HydrophobicContact CE2-CD1 3.75Å; Y154-L234 HydrophobicContact CG-CB 4.32Å; A230-L234 WeakPolarHBondContact O-CB 3.35Å; A230-L234 PolarHBondContact O-N 2.98Å; F231-L234 PolarHBondContact O-N 3.36Å; L234-D237 PolarHBondContact O-N 2.93Å; L234-I238 HydrophobicContact CD1-CD1 4.22Å; L234-I238 HydrophobicContact CD1-CG1 4.26Å; L234-I238 HydrophobicContact CG-CD1 4.01Å; L234-I238 HydrophobicContact CG-CG1 4.5Å; L234-I238 WeakPolarHBondContact O-CG1 3.42Å; L234-I238 PolarHBondContact O-N 3.14Å; L234-F344 HydrophobicContact CB-CE1 4.05Å; L234-F344 HydrophobicContact CD2-CE1 4.06Å; L234-F344 HydrophobicContact CG-CE1 4.08Å
235	D	98.8	Very high	96.9	Very high	18 Å²	18	36.7 Å²	36.7	10%	0.096	20%	0.2	C	C	.	.	H	α-helix	trans	-66.9	-37.6	177.1	-168.8	60.3	0	0	0	112.4	F231 R233 I238 S239 F344 G345 K350 V390	F231-D235 PolarHBondContact O-N 2.92Å; F231-D235 VanDerWaalsContact O-N 3.16Å; R233-D235 VanDerWaalsContact C-N 3.3Å; R233-D235 PolarHBondContact O-N 3.04Å; D235-I238 PolarHBondContact O-N 3.3Å; D235-S239 WeakPolarHBondContact O-CB 3.45Å; D235-S239 PolarHBondContact O-N 2.86Å; D235-F344 HydrophobicContact CB-CD1 3.77Å; D235-F344 HydrophobicContact CB-CE1 4.03Å; D235-F344 WeakPolarHBondContact OD1-CA 3.21Å; D235-G345 PolarHBondContact OD1-N 2.96Å; D235-K350 IonicContact OD1-NZ 2.64Å; D235-K350 PolarHBondContact OD1-NZ 2.98Å; D235-K350 IonicContact OD2-NZ 3.58Å; D235-K350 PolarHBondContact OD2-NZ 2.86Å; D235-V390 HydrophobicContact CB-CB 4.07Å; D235-V390 HydrophobicContact CB-CG1 3.45Å; D235-V390 VanDerWaalsContact CB-CG1 3.45Å; D235-V390 HydrophobicContact CB-CG2 4.42Å
236	A	98.5	Very high	96.4	Very high	47 Å²	47	33 Å²	33	39%	0.388	18%	0.183	S	C	.	.	H	α-helix	trans	-62.6	-44	171.2	0	0	0	0	0	111.7	R232 R233 S239 L240	R232-A236 WeakPolarHBondContact O-CB 3.39Å; R232-A236 PolarHBondContact O-N 2.94Å; R233-A236 WeakPolarHBondContact O-CB 3.37Å; R233-A236 PolarHBondContact O-N 3.26Å; A236-S239 WeakPolarHBondContact O-CB 3.47Å; A236-S239 PolarHBondContact O-N 2.9Å; A236-L240 VanDerWaalsContact O-CG 3.3Å; A236-L240 WeakPolarHBondContact O-CG 3.39Å; A236-L240 PolarHBondContact O-N 2.99Å
237	D	98.5	Very high	95.8	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-63.3	-43.7	176	-79.9	-41.6	0	0	0	111.7	Y154 H203 R233 L234 S239 L240 E241	Y154-D237 VanDerWaalsContact CE1-OD2 3.24Å; Y154-D237 WeakPolarHBondContact CE1-OD2 3.14Å; Y154-D237 PolarHBondContact OH-OD2 3.27Å; H203-D237 IonicContact CE1-OD1 2.66Å; H203-D237 IonicContact CG-OD1 3.47Å; H203-D237 IonicContact ND1-OD1 3.93Å; H203-D237 PolarHBondContact ND1-OD1 3Å; R233-D237 WeakPolarHBondContact CD-OD2 3.32Å; R233-D237 IonicContact CZ-OD2 3.86Å; R233-D237 IonicContact NE-OD1 3.65Å; R233-D237 IonicContact NE-OD2 3.8Å; R233-D237 PolarHBondContact NE-OD2 3.11Å; R233-D237 IonicContact NH2-OD1 3.37Å; R233-D237 IonicContact NH2-OD2 3.46Å; R233-D237 PolarHBondContact O-N 2.89Å; L234-D237 PolarHBondContact O-N 2.93Å; D237-S239 VanDerWaalsContact C-N 3.3Å; D237-S239 PolarHBondContact O-N 2.95Å; D237-L240 PolarHBondContact O-N 3.27Å; D237-E241 WeakPolarHBondContact O-CB 3.37Å; D237-E241 WeakPolarHBondContact O-CG 3.4Å; D237-E241 PolarHBondContact O-N 3.11Å
238	I	98.4	Very high	95.3	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-56.2	-45.6	173.7	-74.4	166.6	0	0	0	110.9	V147 L234 D235 A242 V258 A259 F344	V147-I238 HydrophobicContact CG2-CD1 3.96Å; L234-I238 HydrophobicContact CD1-CD1 4.22Å; L234-I238 HydrophobicContact CD1-CG1 4.26Å; L234-I238 HydrophobicContact CG-CD1 4.01Å; L234-I238 HydrophobicContact CG-CG1 4.5Å; L234-I238 WeakPolarHBondContact O-CG1 3.42Å; L234-I238 PolarHBondContact O-N 3.14Å; D235-I238 PolarHBondContact O-N 3.3Å; I238-A242 PolarHBondContact O-N 3.47Å; I238-V258 HydrophobicContact CD1-CG1 4.33Å; I238-V258 HydrophobicContact CG1-CG1 4.12Å; I238-V258 HydrophobicContact CG2-CG1 3.92Å; I238-A259 HydrophobicContact CG2-CB 4.02Å; I238-F344 HydrophobicContact CD1-CD1 4.27Å
239	S	97.8	Very high	94.6	Very high	23 Å²	23	46.1 Å²	46.1	16%	0.161	26%	0.262	C	S	.	.	H	α-helix	trans	-63.1	-43.6	177.1	167.9	0	0	0	0	112	D235 A236 D237 Q243 W351	D235-S239 WeakPolarHBondContact O-CB 3.45Å; D235-S239 PolarHBondContact O-N 2.86Å; A236-S239 WeakPolarHBondContact O-CB 3.47Å; A236-S239 PolarHBondContact O-N 2.9Å; D237-S239 VanDerWaalsContact C-N 3.3Å; D237-S239 PolarHBondContact O-N 2.95Å; S239-Q243 WeakPolarHBondContact O-CG 3.4Å; S239-Q243 PolarHBondContact O-NE2 3.34Å; S239-Q243 PolarHBondContact OG-NE2 3.48Å; S239-Q243 VanDerWaalsContact OG-NE2 3.13Å; S239-W351 WeakPolarHBondContact O-CZ2 3.28Å; S239-W351 PolarHBondContact OG-NE1 2.82Å
240	L	96.8	Very high	94.1	Very high	87 Å²	87	49.3 Å²	49.3	46%	0.455	28%	0.277	S	S	.	.	H	α-helix	trans	-70.1	-40	-179.2	-71.3	171.2	0	0	0	112.3	A236 D237 A242 Q243 V244	A236-L240 VanDerWaalsContact O-CG 3.3Å; A236-L240 WeakPolarHBondContact O-CG 3.39Å; A236-L240 PolarHBondContact O-N 2.99Å; D237-L240 PolarHBondContact O-N 3.27Å; L240-A242 PolarHBondContact O-N 3.01Å; L240-Q243 PolarHBondContact O-N 2.96Å; L240-V244 PolarHBondContact O-N 3.41Å
241	E	95.4	Very high	93.6	Very high	3 Å²	3	51 Å²	51	1%	0.014	29%	0.285	C	S	.	.	H	α-helix	trans	-58.3	-36.5	178.8	-76.6	165.6	-166.6	0	0	112.4	R150 L199 H203 D237 Q243 A255	R150-E241 IonicContact CZ-OE1 3.34Å; R150-E241 IonicContact CZ-OE2 3.6Å; R150-E241 IonicContact NH1-OE1 3.26Å; R150-E241 PolarHBondContact NH1-OE1 2.94Å; R150-E241 IonicContact NH1-OE2 2.72Å; R150-E241 PolarHBondContact NH1-OE2 2.81Å; R150-E241 IonicContact NH2-OE1 2.68Å; R150-E241 PolarHBondContact NH2-OE1 2.87Å; R150-E241 IonicContact NH2-OE2 2.65Å; L199-E241 HydrophobicContact CD1-CG 4.34Å; L199-E241 HydrophobicContact CD2-CB 4.42Å; L199-E241 HydrophobicContact CD2-CG 4.14Å; L199-E241 HydrophobicContact CG-CG 4.3Å; H203-E241 IonicContact CD2-OE1 3.41Å; H203-E241 PolarHBondContact CD2-OE1 3.4Å; H203-E241 IonicContact CG-OE1 3.59Å; H203-E241 VanDerWaalsContact CG-OE1 3.29Å; H203-E241 IonicContact ND1-OE1 3.32Å; H203-E241 IonicContact NE2-OE1 3.6Å; D237-E241 WeakPolarHBondContact O-CB 3.37Å; D237-E241 WeakPolarHBondContact O-CG 3.4Å; D237-E241 PolarHBondContact O-N 3.11Å; E241-Q243 VanDerWaalsContact C-N 3.28Å; E241-Q243 PolarHBondContact O-N 3.31Å; E241-A255 HydrophobicContact CB-CB 4.4Å
242	A	94.1	Very high	93.1	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.033	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-15.9	176.6	0	0	0	0	0	113.9	I238 L240 I256 A259 W351	I238-A242 PolarHBondContact O-N 3.47Å; L240-A242 PolarHBondContact O-N 3.01Å; A242-I256 HydrophobicContact CB-CG1 4.11Å; A242-A259 HydrophobicContact CB-CB 3.55Å; A242-W351 HydrophobicContact CB-CH2 3.81Å; A242-W351 HydrophobicContact CB-CZ2 4.26Å
243	Q	93.3	Very high	92.7	Very high	70 Å²	70	48.1 Å²	48.1	33%	0.327	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-22.6	-177.2	-68.2	173.6	66.2	0	0	113.5	S239 L240 E241 W351 L355 I359	S239-Q243 WeakPolarHBondContact O-CG 3.4Å; S239-Q243 PolarHBondContact O-NE2 3.34Å; S239-Q243 PolarHBondContact OG-NE2 3.48Å; S239-Q243 VanDerWaalsContact OG-NE2 3.13Å; L240-Q243 PolarHBondContact O-N 2.96Å; E241-Q243 VanDerWaalsContact C-N 3.28Å; E241-Q243 PolarHBondContact O-N 3.31Å; Q243-W351 HydrophobicContact CG-CH2 4.03Å; Q243-W351 HydrophobicContact CG-CZ2 3.86Å; Q243-L355 HydrophobicContact CG-CD1 4.34Å; Q243-I359 HydrophobicContact CB-CD1 4.38Å; Q243-I359 HydrophobicContact CG-CD1 4.18Å
244	V	90.5	Very high	92.3	Very high	63 Å²	63	47.1 Å²	47.1	38%	0.382	28%	0.275	S	S	.	.	S	Bend	trans	-90.4	150.6	-175.1	-63.9	0	0	0	0	112.4	L240 L246	L240-V244 PolarHBondContact O-N 3.41Å; V244-L246 HydrophobicContact CG2-CD2 4.04Å; V244-L246 PolarHBondContact O-N 3.01Å
245	P	87.1	Confident	92.1	Very high	130 Å²	130	47.4 Å²	47.4	84%	0.844	28%	0.278	S	S	*	.			trans	-61.3	129.8	169.2	-20.9	32.8	0	0	0	111
246	L	87.6	Confident	91.8	Very high	33 Å²	33	46.6 Å²	46.6	17%	0.173	27%	0.273	C	S	.	.			trans	-112	154.4	177.6	-67	-178.5	0	0	0	111.7	L199 V244 S248 M251 K252 A255	L199-L246 HydrophobicContact CD1-CD2 3.86Å; L199-L246 HydrophobicContact CD2-CD1 4.02Å; L199-L246 HydrophobicContact CD2-CD2 4.3Å; V244-L246 HydrophobicContact CG2-CD2 4.04Å; V244-L246 PolarHBondContact O-N 3.01Å; L246-S248 PolarHBondContact O-N 3.18Å; L246-M251 HydrophobicContact CB-CB 4.21Å; L246-M251 HydrophobicContact CD1-CB 4.14Å; L246-M251 WeakPolarHBondContact CD1-O 3.3Å; L246-K252 HydrophobicContact CB-CB 4.41Å; L246-A255 HydrophobicContact CD1-CB 3.75Å
247	P	85.8	Confident	91.5	Very high	120 Å²	120	46.5 Å²	46.5	78%	0.779	27%	0.265	S	S	*	.	S	Bend	trans	-67.1	-17.8	-172.2	-20.6	32.4	0	0	0	115.2	M251	P247-M251 HydrophobicContact CB-CE 3.85Å; P247-M251 HydrophobicContact CG-CE 4.05Å
248	S	87.1	Confident	91.4	Very high	44 Å²	44	46.5 Å²	46.5	31%	0.308	27%	0.265	S	S	.	.	S	Bend	trans	-138.5	147.6	178.2	75	0	0	0	0	111.2	L246 L250 M251 K252	L246-S248 PolarHBondContact O-N 3.18Å; S248-L250 PolarHBondContact O-N 3.08Å; S248-M251 PolarHBondContact O-N 3.14Å; S248-M251 VanDerWaalsContact O-N 3.16Å; S248-M251 WeakPolarHBondContact OG-CB 3.32Å; S248-M251 WeakPolarHBondContact OG-CE 3.27Å; S248-M251 WeakPolarHBondContact OG-CG 3.25Å; S248-M251 PolarHBondContact OG-N 2.97Å; S248-M251 VanDerWaalsContact OG-N 3.11Å; S248-K252 PolarHBondContact O-N 3.03Å
249	D	85.3	Confident	91.3	Very high	138 Å²	138	46.4 Å²	46.4	74%	0.738	26%	0.264	S	S	*	.	H	α-helix	trans	-62	-32.6	176.5	-64.3	-34.3	0	0	0	111.9	K252 S253	D249-K252 PolarHBondContact O-N 2.65Å; D249-S253 VanDerWaalsContact O-CB 3.31Å; D249-S253 WeakPolarHBondContact O-CB 3.17Å; D249-S253 PolarHBondContact O-N 2.78Å
250	L	86.6	Confident	91.2	Very high	93 Å²	93	45.5 Å²	45.5	49%	0.487	26%	0.257	S	S	.	.	H	α-helix	trans	-62.1	-49.3	173.4	-179.8	62.4	0	0	0	111.1	E195 S248 K252 S253 T254	E195-L250 HydrophobicContact CG-CD2 4.45Å; S248-L250 PolarHBondContact O-N 3.08Å; L250-K252 VanDerWaalsContact C-N 3.3Å; L250-K252 PolarHBondContact O-N 3.44Å; L250-S253 PolarHBondContact O-N 2.78Å; L250-T254 WeakPolarHBondContact O-CB 3.47Å; L250-T254 PolarHBondContact O-N 3.26Å; L250-T254 PolarHBondContact O-OG1 3.03Å
251	M	88.4	Confident	91.1	Very high	36 Å²	36	41.6 Å²	41.6	18%	0.177	24%	0.238	C	C	.	.	H	α-helix	trans	-62	-39.8	177.3	-78.8	-174.7	-84.9	0	0	111.6	L246 P247 S248 T254 A255	L246-M251 HydrophobicContact CB-CB 4.21Å; L246-M251 HydrophobicContact CD1-CB 4.14Å; L246-M251 WeakPolarHBondContact CD1-O 3.3Å; P247-M251 HydrophobicContact CB-CE 3.85Å; P247-M251 HydrophobicContact CG-CE 4.05Å; S248-M251 PolarHBondContact O-N 3.14Å; S248-M251 VanDerWaalsContact O-N 3.16Å; S248-M251 WeakPolarHBondContact OG-CB 3.32Å; S248-M251 WeakPolarHBondContact OG-CE 3.27Å; S248-M251 WeakPolarHBondContact OG-CG 3.25Å; S248-M251 PolarHBondContact OG-N 2.97Å; S248-M251 VanDerWaalsContact OG-N 3.11Å; M251-T254 PolarHBondContact O-N 2.98Å; M251-A255 WeakPolarHBondContact O-CB 3.38Å; M251-A255 PolarHBondContact O-N 3.2Å
252	K	89.3	Confident	91.3	Very high	49 Å²	49	41.4 Å²	41.4	21%	0.213	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-49.7	174.6	-171.3	-177.1	177.1	-171.5	0	111.8	L246 S248 D249 L250 A255 I256 S362 L363	L246-K252 HydrophobicContact CB-CB 4.41Å; S248-K252 PolarHBondContact O-N 3.03Å; D249-K252 PolarHBondContact O-N 2.65Å; L250-K252 VanDerWaalsContact C-N 3.3Å; L250-K252 PolarHBondContact O-N 3.44Å; K252-A255 PolarHBondContact O-N 2.68Å; K252-I256 HydrophobicContact CG-CD1 3.99Å; K252-I256 WeakPolarHBondContact O-CG1 3.31Å; K252-I256 PolarHBondContact O-N 2.8Å; K252-S362 WeakPolarHBondContact CE-OG 3.3Å; K252-S362 PolarHBondContact NZ-O 3.23Å; K252-S362 PolarHBondContact NZ-OG 2.92Å; K252-L363 HydrophobicContact CD-CD2 4.47Å
253	S	88.9	Confident	91.5	Very high	15 Å²	15	41.2 Å²	41.2	11%	0.105	24%	0.235	C	C	.	.	H	α-helix	trans	-59.9	-48.3	177.6	-176.8	0	0	0	0	111.3	D249 L250 A255 I256 Q257 L372	D249-S253 VanDerWaalsContact O-CB 3.31Å; D249-S253 WeakPolarHBondContact O-CB 3.17Å; D249-S253 PolarHBondContact O-N 2.78Å; L250-S253 PolarHBondContact O-N 2.78Å; S253-A255 PolarHBondContact O-N 2.86Å; S253-I256 PolarHBondContact O-N 2.97Å; S253-Q257 WeakPolarHBondContact O-CB 3.41Å; S253-Q257 WeakPolarHBondContact O-CG 3.45Å; S253-Q257 PolarHBondContact O-N 3.49Å; S253-L372 WeakPolarHBondContact OG-CD1 3.32Å
254	T	91.1	Very high	91.7	Very high	11 Å²	11	37.9 Å²	37.9	7%	0.067	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-46.2	177.2	-57.1	0	0	0	0	111.8	Y193 L250 M251 I256 Q257 V258	Y193-T254 HydrophobicContact CD1-CG2 4.38Å; Y193-T254 HydrophobicContact CE1-CG2 4.05Å; L250-T254 WeakPolarHBondContact O-CB 3.47Å; L250-T254 PolarHBondContact O-N 3.26Å; L250-T254 PolarHBondContact O-OG1 3.03Å; M251-T254 PolarHBondContact O-N 2.98Å; T254-I256 VanDerWaalsContact C-N 3.32Å; T254-I256 PolarHBondContact O-N 3.24Å; T254-Q257 PolarHBondContact O-N 3.21Å; T254-V258 HydrophobicContact CG2-CG2 4.35Å; T254-V258 WeakPolarHBondContact O-CB 3.44Å; T254-V258 WeakPolarHBondContact O-CG2 3.28Å; T254-V258 PolarHBondContact O-N 3.34Å
255	A	94	Very high	92.1	Very high	6 Å²	6	34.9 Å²	34.9	5%	0.05	20%	0.202	C	C	.	.	H	α-helix	trans	-61.4	-41	179	0	0	0	0	0	111.9	E241 L246 M251 K252 S253 V258 A259	E241-A255 HydrophobicContact CB-CB 4.4Å; L246-A255 HydrophobicContact CD1-CB 3.75Å; M251-A255 WeakPolarHBondContact O-CB 3.38Å; M251-A255 PolarHBondContact O-N 3.2Å; K252-A255 PolarHBondContact O-N 2.68Å; S253-A255 PolarHBondContact O-N 2.86Å; A255-V258 PolarHBondContact O-N 3.47Å; A255-A259 WeakPolarHBondContact O-CB 3.34Å; A255-A259 PolarHBondContact O-N 3.24Å
256	I	92.9	Very high	92.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-69.2	-41.5	177	-66.6	169.2	0	0	0	111.1	A242 K252 S253 T254 V258 A259 F260 I359 L363 L374	A242-I256 HydrophobicContact CB-CG1 4.11Å; K252-I256 HydrophobicContact CG-CD1 3.99Å; K252-I256 WeakPolarHBondContact O-CG1 3.31Å; K252-I256 PolarHBondContact O-N 2.8Å; S253-I256 PolarHBondContact O-N 2.97Å; T254-I256 VanDerWaalsContact C-N 3.32Å; T254-I256 PolarHBondContact O-N 3.24Å; I256-V258 VanDerWaalsContact C-N 3.33Å; I256-V258 PolarHBondContact O-N 2.89Å; I256-A259 PolarHBondContact O-N 2.99Å; I256-F260 HydrophobicContact CG2-CD2 3.6Å; I256-F260 HydrophobicContact CG2-CE2 3.77Å; I256-F260 WeakPolarHBondContact O-CB 3.38Å; I256-F260 WeakPolarHBondContact O-CD2 3.35Å; I256-F260 PolarHBondContact O-N 3.36Å; I256-I359 HydrophobicContact CD1-CG2 3.85Å; I256-I359 HydrophobicContact CG1-CG2 4.1Å; I256-I359 HydrophobicContact CG2-CG2 4.46Å; I256-L363 HydrophobicContact CB-CD1 4.19Å; I256-L363 HydrophobicContact CD1-CD1 3.53Å; I256-L363 HydrophobicContact CD1-CD2 3.79Å; I256-L363 HydrophobicContact CD1-CG 3.64Å; I256-L363 HydrophobicContact CG1-CD1 4.43Å; I256-L363 HydrophobicContact CG2-CD1 3.71Å; I256-L374 HydrophobicContact CG2-CD1 3.87Å; I256-L374 HydrophobicContact CG2-CD2 4.33Å
257	Q	93.1	Very high	93.2	Very high	46 Å²	46	27.1 Å²	27.1	22%	0.215	15%	0.153	C	C	.	.	H	α-helix	trans	-58	-44.6	173.1	-76.5	-178.9	-22.9	0	0	112	A142 S253 T254 A259 F260 A261 L372	A142-Q257 HydrophobicContact CB-CB 4.05Å; S253-Q257 WeakPolarHBondContact O-CB 3.41Å; S253-Q257 WeakPolarHBondContact O-CG 3.45Å; S253-Q257 PolarHBondContact O-N 3.49Å; T254-Q257 PolarHBondContact O-N 3.21Å; Q257-A259 VanDerWaalsContact C-N 3.33Å; Q257-A259 PolarHBondContact O-N 3.16Å; Q257-F260 PolarHBondContact O-N 3.26Å; Q257-A261 VanDerWaalsContact O-CB 3.25Å; Q257-A261 WeakPolarHBondContact O-CB 3.18Å; Q257-A261 PolarHBondContact O-N 3Å; Q257-L372 HydrophobicContact CG-CB 4.06Å; Q257-L372 HydrophobicContact CG-CD1 4.46Å; Q257-L372 HydrophobicContact CG-CD2 4.47Å
258	V	96.1	Very high	93.8	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.024	12%	0.116	C	C	.	.	H	α-helix	trans	-61.4	-41	177.3	169.6	0	0	0	0	111.3	A142 C143 A146 I238 T254 A255 I256	A142-V258 HydrophobicContact CB-CG2 4.11Å; C143-V258 WeakPolarHBondContact CB-O 3.44Å; C143-V258 PolarHBondContact SG-O 3.38Å; C143-V258 VanDerWaalsContact SG-O 3.33Å; A146-V258 HydrophobicContact CB-CB 4.4Å; A146-V258 HydrophobicContact CB-CG1 3.56Å; A146-V258 HydrophobicContact CB-CG2 3.83Å; I238-V258 HydrophobicContact CD1-CG1 4.33Å; I238-V258 HydrophobicContact CG1-CG1 4.12Å; I238-V258 HydrophobicContact CG2-CG1 3.92Å; T254-V258 HydrophobicContact CG2-CG2 4.35Å; T254-V258 WeakPolarHBondContact O-CB 3.44Å; T254-V258 WeakPolarHBondContact O-CG2 3.28Å; T254-V258 PolarHBondContact O-N 3.34Å; A255-V258 PolarHBondContact O-N 3.47Å; I256-V258 VanDerWaalsContact C-N 3.33Å; I256-V258 PolarHBondContact O-N 2.89Å
259	A	96.7	Very high	94.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-73.5	-36	-179.8	0	0	0	0	0	113.4	I238 A242 A255 I256 Q257 G345 D346 V347	I238-A259 HydrophobicContact CG2-CB 4.02Å; A242-A259 HydrophobicContact CB-CB 3.55Å; A255-A259 WeakPolarHBondContact O-CB 3.34Å; A255-A259 PolarHBondContact O-N 3.24Å; I256-A259 PolarHBondContact O-N 2.99Å; Q257-A259 VanDerWaalsContact C-N 3.33Å; Q257-A259 PolarHBondContact O-N 3.16Å; A259-G345 CarbonylContact O-C 3.52Å; A259-G345 VanDerWaalsContact O-C 3.28Å; A259-G345 WeakPolarHBondContact O-CA 3.14Å; A259-D346 PolarHBondContact O-N 2.86Å; A259-V347 HydrophobicContact CB-CG1 3.93Å; A259-V347 HydrophobicContact CB-CG2 4.16Å; A259-V347 WeakPolarHBondContact O-CG1 3.47Å; A259-V347 WeakPolarHBondContact O-CG2 3.43Å; A259-V347 PolarHBondContact O-N 3.29Å
260	F	95	Very high	94.9	Very high	3 Å²	3	13.2 Å²	13.2	1%	0.013	7%	0.068	C	C	.	.	H	α-helix	trans	-85.5	-30.9	-177.4	-88.6	-104.4	0	0	0	114.4	I256 Q257 V347 R348 W351 I359 L360 L374	I256-F260 HydrophobicContact CG2-CD2 3.6Å; I256-F260 HydrophobicContact CG2-CE2 3.77Å; I256-F260 WeakPolarHBondContact O-CB 3.38Å; I256-F260 WeakPolarHBondContact O-CD2 3.35Å; I256-F260 PolarHBondContact O-N 3.36Å; Q257-F260 PolarHBondContact O-N 3.26Å; F260-V347 HydrophobicContact CD2-CG2 3.69Å; F260-V347 HydrophobicContact CE2-CG2 3.84Å; F260-V347 HydrophobicContact CG-CG2 4.06Å; F260-V347 HydrophobicContact CZ-CG2 4.31Å; F260-R348 HydrophobicContact CD1-CG 3.64Å; F260-R348 HydrophobicContact CE1-CG 3.68Å; F260-W351 AromaticContact CE2-CZ3 3.93Å; F260-W351 HydrophobicContact CE2-CZ3 3.93Å; F260-W351 HydrophobicContact CZ-CZ3 4.41Å; F260-I359 HydrophobicContact CE2-CG2 4.36Å; F260-L360 HydrophobicContact CE1-CD1 4.26Å; F260-L360 HydrophobicContact CE1-CD2 4Å; F260-L360 HydrophobicContact CE1-CG 4.33Å; F260-L360 HydrophobicContact CE2-CD2 4.42Å; F260-L360 HydrophobicContact CZ-CD1 4.28Å; F260-L360 HydrophobicContact CZ-CD2 3.76Å; F260-L360 HydrophobicContact CZ-CG 3.93Å; F260-L374 HydrophobicContact CB-CD2 3.24Å; F260-L374 HydrophobicContact CD1-CD2 3.7Å; F260-L374 HydrophobicContact CD2-CD2 3.96Å; F260-L374 HydrophobicContact CG-CD2 3.37Å
261	A	95.8	Very high	95.2	Very high	5 Å²	5	9.1 Å²	9.1	4%	0.041	5%	0.049	C	C	.	.	S	Bend	trans	-68.9	160.6	164.6	0	0	0	0	0	109.7	C143 Q257 G345 D346	C143-A261 HydrophobicContact CB-CB 3.82Å; Q257-A261 VanDerWaalsContact O-CB 3.25Å; Q257-A261 WeakPolarHBondContact O-CB 3.18Å; Q257-A261 PolarHBondContact O-N 3Å; A261-G345 WeakPolarHBondContact O-CA 3.47Å; A261-D346 PolarHBondContact O-N 2.85Å
262	G	97.8	Very high	95	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	162.3	178.9	0	0	0	0	0	112.4	G137 H138 F344	G137-G262 WeakPolarHBondContact CA-O 3.33Å; H138-G262 PolarHBondContact N-O 2.87Å; H138-G262 WeakPolarHBondContact NE2-CA 3.42Å; H138-G262 PolarHBondContact O-N 3.49Å; G262-F344 WeakPolarHBondContact CA-O 3.44Å
263	C	98.3	Very high	94.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	125.1	180	167	0	0	0	0	111.3	D136 C143 A144 V147 A343 F344	D136-C263 CarbonylContact O-C 3.45Å; D136-C263 VanDerWaalsContact O-CA 3.28Å; D136-C263 WeakPolarHBondContact O-CA 3.46Å; C143-C263 HydrophobicContact CB-CB 3.92Å; A144-C263 VanDerWaalsContact CA-SG 3.52Å; A144-C263 HydrophobicContact CB-CB 4.16Å; V147-C263 HydrophobicContact CG2-CB 4.45Å; C263-A343 WeakPolarHBondContact O-CA 3.39Å; C263-A343 WeakPolarHBondContact O-CB 3.47Å; C263-F344 HydrophobicContact CB-CB 4.25Å; C263-F344 PolarHBondContact N-O 3.14Å; C263-F344 VanDerWaalsContact N-O 3.16Å; C263-F344 PolarHBondContact O-N 3.01Å
264	T	98.7	Very high	94.9	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.074	C	C	.	.			trans	-76.6	156.7	164.2	74	0	0	0	0	109.8	F135 D136 A280 D282 C283 P340	F135-T264 VanDerWaalsContact CA-O 3.26Å; F135-T264 WeakPolarHBondContact CA-O 3.5Å; D136-T264 WeakPolarHBondContact CB-OG1 3.34Å; D136-T264 PolarHBondContact N-O 2.6Å; D136-T264 PolarHBondContact N-OG1 3Å; D136-T264 PolarHBondContact O-N 3.36Å; D136-T264 PolarHBondContact O-OG1 3.41Å; T264-A280 CarbonylContact C-O 3.52Å; T264-A280 WeakPolarHBondContact CA-O 3.41Å; T264-D282 WeakPolarHBondContact CG2-OD1 3.4Å; T264-C283 PolarHBondContact OG1-SG 3.07Å; T264-P340 HydrophobicContact CG2-CB 3.87Å; T264-P340 HydrophobicContact CG2-CG 4.02Å
265	A	98.8	Very high	95.2	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	121.1	178.6	0	0	0	0	0	111.3	F135 L151 F231 N279 A280 F344	F135-A265 HydrophobicContact CD1-CB 3.71Å; F135-A265 HydrophobicContact CE1-CB 3.91Å; L151-A265 HydrophobicContact CD2-CB 4.4Å; F231-A265 HydrophobicContact CE1-CB 3.8Å; F231-A265 HydrophobicContact CZ-CB 4.18Å; A265-N279 WeakPolarHBondContact O-CA 3.43Å; A265-N279 PolarHBondContact O-OD1 3.42Å; A265-A280 PolarHBondContact N-O 3.46Å; A265-A280 PolarHBondContact O-N 3.43Å; A265-F344 HydrophobicContact CB-CD2 3.94Å; A265-F344 HydrophobicContact CB-CE2 3.6Å
266	C	98.9	Very high	95.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	110	168.2	179.6	0	0	0	0	109	G133 V134 N279 C283 L408	G133-C266 WeakPolarHBondContact CA-O 3.47Å; V134-C266 HydrophobicContact CG2-CB 3.93Å; V134-C266 PolarHBondContact N-O 2.83Å; V134-C266 PolarHBondContact O-N 3.43Å; C266-N279 WeakPolarHBondContact CB-OD1 3.33Å; C266-C283 HydrophobicContact CB-CB 3.45Å; C266-C283 VanDerWaalsContact CB-CB 3.45Å; C266-L408 WeakPolarHBondContact O-CD2 3.44Å
267	V	98.9	Very high	95.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.5	-175.4	-178.5	0	0	0	0	110.9	L131 F132 F135 L151 I155 L227 F231 V277 A278	L131-V267 HydrophobicContact CD2-CG1 4.4Å; F132-V267 CarbonylContact O-C 3.54Å; F132-V267 VanDerWaalsContact O-CA 3.25Å; F132-V267 WeakPolarHBondContact O-CA 3.38Å; F135-V267 HydrophobicContact CE1-CG2 4.06Å; F135-V267 HydrophobicContact CZ-CG2 4.22Å; L151-V267 HydrophobicContact CD2-CG2 3.82Å; I155-V267 HydrophobicContact CD1-CG1 3.86Å; L227-V267 HydrophobicContact CD2-CG1 4.23Å; F231-V267 HydrophobicContact CE2-CB 4.26Å; F231-V267 HydrophobicContact CE2-CG2 4.18Å; F231-V267 HydrophobicContact CZ-CB 4.1Å; F231-V267 HydrophobicContact CZ-CG2 3.86Å; V267-V277 WeakPolarHBondContact O-CA 3.46Å; V267-A278 PolarHBondContact N-O 2.93Å; V267-A278 PolarHBondContact O-N 3.24Å
268	A	98.8	Very high	96	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.2	173	0	0	0	0	0	111.1	L131 F132 V270 I275 H276 V277 L406 L408	L131-A268 WeakPolarHBondContact CA-O 3.18Å; F132-A268 PolarHBondContact N-O 3.44Å; F132-A268 PolarHBondContact O-N 2.88Å; A268-V270 HydrophobicContact CB-CG2 4.46Å; A268-I275 HydrophobicContact CB-CG2 4.49Å; A268-H276 CarbonylContact C-O 3.57Å; A268-H276 VanDerWaalsContact CA-O 3.29Å; A268-H276 WeakPolarHBondContact CA-O 3.22Å; A268-V277 HydrophobicContact CB-CG2 4.22Å; A268-L406 HydrophobicContact CB-CD2 3.67Å; A268-L408 HydrophobicContact CB-CD1 4.45Å; A268-L408 HydrophobicContact CB-CD2 4.02Å
269	H	98.4	Very high	96.1	Very high	8 Å²	8	11 Å²	11	4%	0.037	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	118.7	160.6	175.1	-90.9	0	0	0	109	K128 M130 L131 L227 I275 H276	K128-H269 PolarHBondContact O-NE2 3.01Å; M130-H269 CarbonylContact O-C 3.58Å; M130-H269 WeakPolarHBondContact O-CA 3.42Å; L131-H269 HydrophobicContact CD2-CB 3.8Å; L227-H269 HydrophobicContact CD1-CB 4.38Å; H269-I275 WeakPolarHBondContact O-CA 3.17Å; H269-H276 HydrophobicContact CB-CB 4.38Å; H269-H276 PolarHBondContact N-O 3.11Å; H269-H276 AromaticContact ND1-ND1 3.9Å; H269-H276 PolarHBondContact O-N 3.34Å
270	V	96.8	Very high	96.2	Very high	1 Å²	1	11 Å²	11	1%	0.006	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	101.8	179.5	-173.6	0	0	0	0	108.5	A100 V101 G129 M130 F132 A268 I275 L517	A100-V270 HydrophobicContact CB-CG1 3.97Å; V101-V270 HydrophobicContact CG2-CB 4.04Å; V101-V270 HydrophobicContact CG2-CG1 3.66Å; G129-V270 VanDerWaalsContact CA-O 3.27Å; G129-V270 WeakPolarHBondContact CA-O 3.47Å; M130-V270 PolarHBondContact N-O 3.12Å; M130-V270 PolarHBondContact O-N 3.13Å; F132-V270 HydrophobicContact CD2-CG2 4.01Å; F132-V270 HydrophobicContact CE2-CB 4.44Å; F132-V270 HydrophobicContact CE2-CG2 4.08Å; A268-V270 HydrophobicContact CB-CG2 4.46Å; V270-I275 HydrophobicContact CG1-CG1 4.37Å; V270-I275 HydrophobicContact CG2-CG2 4.42Å; V270-L517 HydrophobicContact CG1-CD2 3.98Å
271	G	92.1	Very high	96.4	Very high	8 Å²	8	10.9 Å²	10.9	8%	0.082	6%	0.062	C	C	.	.			trans	-103.7	178.3	175.4	0	0	0	0	0	112.5	A100 D273 G274	A100-G271 VanDerWaalsContact CB-O 3.24Å; A100-G271 WeakPolarHBondContact CB-O 3.24Å; G271-D273 PolarHBondContact O-N 3.4Å; G271-G274 PolarHBondContact N-O 2.98Å
272	T	85.1	Confident	96.5	Very high	56 Å²	56	11 Å²	11	34%	0.344	6%	0.062	S	C	.	.	S	Bend	trans	-67.2	-28.1	174.3	50.1	0	0	0	0	112.7
273	D	82.5	Confident	96.5	Very high	123 Å²	123	11 Å²	11	66%	0.658	6%	0.062	S	C	*	.	S	Bend	trans	-92.4	-14.8	-172.5	-53.3	-36.2	0	0	0	112.9	G271 Y396	G271-D273 PolarHBondContact O-N 3.4Å; D273-Y396 PolarHBondContact O-OH 3.04Å
274	G	93.5	Very high	96.5	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.01	7%	0.071	C	C	.	.			trans	162.2	-179.1	-175.8	0	0	0	0	0	114	G271 H397	G271-G274 PolarHBondContact N-O 2.98Å; G274-H397 CarbonylContact C-O 3.54Å; G274-H397 VanDerWaalsContact CA-O 3.23Å; G274-H397 WeakPolarHBondContact CA-O 3.12Å
275	I	97.7	Very high	96.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.3	175.8	-55.6	171.2	0	0	0	107.4	A268 H269 V270 V277 L287 L301 Y396 H397 L399 L406 L517	A268-I275 HydrophobicContact CB-CG2 4.49Å; H269-I275 WeakPolarHBondContact O-CA 3.17Å; V270-I275 HydrophobicContact CG1-CG1 4.37Å; V270-I275 HydrophobicContact CG2-CG2 4.42Å; I275-V277 HydrophobicContact CG2-CG2 3.91Å; I275-L287 HydrophobicContact CD1-CD1 3.94Å; I275-L301 HydrophobicContact CG2-CD1 4.17Å; I275-Y396 WeakPolarHBondContact O-CA 3.28Å; I275-H397 PolarHBondContact N-O 2.66Å; I275-H397 PolarHBondContact O-N 2.89Å; I275-L399 HydrophobicContact CD1-CD2 3.73Å; I275-L399 HydrophobicContact CG1-CD2 3.82Å; I275-L399 HydrophobicContact CG1-CG 4.38Å; I275-L406 HydrophobicContact CG2-CD2 4.09Å; I275-L517 HydrophobicContact CD1-CD1 3.94Å; I275-L517 HydrophobicContact CD1-CD2 4.18Å
276	H	98.7	Very high	96.5	Very high	24 Å²	24	13.3 Å²	13.3	11%	0.111	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127	166.4	-57.7	80.8	0	0	0	108.1	L227 A268 H269 T395 Y396	L227-H276 HydrophobicContact CD1-CB 3.67Å; A268-H276 CarbonylContact C-O 3.57Å; A268-H276 VanDerWaalsContact CA-O 3.29Å; A268-H276 WeakPolarHBondContact CA-O 3.22Å; H269-H276 HydrophobicContact CB-CB 4.38Å; H269-H276 PolarHBondContact N-O 3.11Å; H269-H276 AromaticContact ND1-ND1 3.9Å; H269-H276 PolarHBondContact O-N 3.34Å; H276-T395 CarbonylContact C-O 3.6Å; H276-T395 WeakPolarHBondContact CA-O 3.37Å; H276-Y396 AromaticContact CD2-CD2 3.66Å; H276-Y396 AromaticContact CE1-CD2 3.57Å; H276-Y396 AromaticContact CE1-CE2 3.82Å; H276-Y396 AromaticContact NE2-CD2 3.27Å; H276-Y396 VanDerWaalsContact NE2-CD2 3.27Å; H276-Y396 WeakPolarHBondContact NE2-CD2 3.49Å; H276-Y396 AromaticContact NE2-CE2 3.87Å
277	V	98.9	Very high	96.5	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.006	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122	174.8	176.9	0	0	0	0	108.3	V267 A268 I275 A285 L301 I394 T395	V267-V277 WeakPolarHBondContact O-CA 3.46Å; A268-V277 HydrophobicContact CB-CG2 4.22Å; I275-V277 HydrophobicContact CG2-CG2 3.91Å; V277-A285 HydrophobicContact CG1-CB 3.74Å; V277-A285 HydrophobicContact CG2-CB 4.13Å; V277-L301 HydrophobicContact CB-CB 4.23Å; V277-L301 HydrophobicContact CG2-CB 3.73Å; V277-L301 HydrophobicContact CG2-CD1 3.99Å; V277-I394 CarbonylContact O-C 3.56Å; V277-I394 VanDerWaalsContact O-CA 3.25Å; V277-I394 WeakPolarHBondContact O-CA 3.35Å; V277-T395 PolarHBondContact N-O 2.85Å; V277-T395 PolarHBondContact O-N 3.19Å
278	A	98.9	Very high	96.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.1	170.3	0	0	0	0	0	109.2	L227 F231 V267 P392 E393 I394	L227-A278 HydrophobicContact CB-CB 3.91Å; L227-A278 HydrophobicContact CD1-CB 4.1Å; L227-A278 HydrophobicContact CD2-CB 3.94Å; L227-A278 HydrophobicContact CG-CB 4.2Å; F231-A278 HydrophobicContact CE2-CB 3.87Å; F231-A278 HydrophobicContact CZ-CB 3.88Å; V267-A278 PolarHBondContact N-O 2.93Å; V267-A278 PolarHBondContact O-N 3.24Å; A278-P392 HydrophobicContact CB-CB 3.89Å; A278-P392 HydrophobicContact CB-CG 4.19Å; A278-E393 WeakPolarHBondContact CA-O 3.41Å; A278-I394 HydrophobicContact CB-CG1 4.03Å
279	N	98.9	Very high	96.4	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.011	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134.2	179.4	-170.3	42.1	0	0	0	111.6	A265 C266 G281 C283 K303 H305 P392 E393	A265-N279 WeakPolarHBondContact O-CA 3.43Å; A265-N279 PolarHBondContact O-OD1 3.42Å; C266-N279 WeakPolarHBondContact CB-OD1 3.33Å; N279-G281 PolarHBondContact ND2-O 3.31Å; N279-C283 PolarHBondContact ND2-O 3.07Å; N279-C283 PolarHBondContact OD1-O 3.41Å; N279-K303 PolarHBondContact ND2-O 2.97Å; N279-H305 PolarHBondContact ND2-ND1 3.05Å; N279-H305 PolarHBondContact O-CE1 3.37Å; N279-P392 CarbonylContact O-C 3.43Å; N279-P392 WeakPolarHBondContact O-CA 3.12Å; N279-P392 WeakPolarHBondContact O-CB 3.43Å; N279-E393 PolarHBondContact N-O 2.97Å; N279-E393 PolarHBondContact O-N 2.82Å
280	A	98.8	Very high	96.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	106.9	168.6	0	0	0	0	0	108.3	F231 T264 A265 R342 V390	F231-A280 HydrophobicContact CD1-CB 4.11Å; F231-A280 HydrophobicContact CE1-CB 4.02Å; T264-A280 CarbonylContact C-O 3.52Å; T264-A280 WeakPolarHBondContact CA-O 3.41Å; A265-A280 PolarHBondContact N-O 3.46Å; A265-A280 PolarHBondContact O-N 3.43Å; A280-R342 CarbonylContact C-O 3.4Å; A280-R342 HydrophobicContact CB-CB 4.14Å; A280-V390 HydrophobicContact CB-CG2 4.35Å; A280-V390 WeakPolarHBondContact CB-O 3.45Å
281	G	98.4	Very high	96	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	110.7	-159.9	-171.2	0	0	0	0	0	112.6	N279 H305 R342	N279-G281 PolarHBondContact ND2-O 3.31Å; G281-H305 PolarHBondContact N-ND1 3.31Å; G281-H305 WeakPolarHBondContact O-CB 3.25Å; G281-H305 PolarHBondContact O-N 2.92Å; G281-H305 PolarHBondContact O-ND1 3.26Å; G281-R342 WeakPolarHBondContact CA-O 3.21Å; G281-R342 PolarHBondContact N-O 2.93Å
282	D	97.6	Very high	95.9	Very high	6 Å²	6	24.6 Å²	24.6	3%	0.032	14%	0.139	C	C	.	.	S	Bend	trans	-110.8	10.1	-171.3	44.6	7.4	0	0	0	114.4	T264 D304 N306	T264-D282 WeakPolarHBondContact CG2-OD1 3.4Å; D282-D304 HydrophobicContact CB-CB 4.08Å; D282-N306 HydrophobicContact CB-CB 4.37Å
283	C	98.3	Very high	96	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.153	C	C	.	.			trans	-58.7	153.4	154.3	-75.1	0	0	0	0	110.9	V134 T264 C266 N279	V134-C283 HydrophobicContact CG2-CB 4.16Å; T264-C283 PolarHBondContact OG1-SG 3.07Å; C266-C283 HydrophobicContact CB-CB 3.45Å; C266-C283 VanDerWaalsContact CB-CB 3.45Å; N279-C283 PolarHBondContact ND2-O 3.07Å; N279-C283 PolarHBondContact OD1-O 3.41Å
284	R	98.6	Very high	96.2	Very high	49 Å²	49	23.6 Å²	23.6	19%	0.185	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	143.5	-177.4	-163.4	-170	-63.9	159.1	7.4	114	V286 S302 D304 G409 W414 S419	R284-V286 HydrophobicContact CG-CG2 4.08Å; R284-S302 WeakPolarHBondContact CA-OG 3.44Å; R284-S302 WeakPolarHBondContact CG-OG 3.16Å; R284-D304 IonicContact CZ-OD1 2.86Å; R284-D304 IonicContact CZ-OD2 3.87Å; R284-D304 IonicContact NE-OD1 3.75Å; R284-D304 PolarHBondContact NE-OD1 3.26Å; R284-D304 IonicContact NE-OD2 2.86Å; R284-D304 PolarHBondContact NE-OD2 2.87Å; R284-D304 IonicContact NH2-OD1 2.91Å; R284-D304 IonicContact NH2-OD2 2.99Å; R284-D304 PolarHBondContact NH2-OD2 2.83Å; R284-G409 PolarHBondContact N-O 3.16Å; R284-G409 PolarHBondContact O-N 3.06Å; R284-W414 HydrophobicContact CB-CD2 4.18Å; R284-W414 HydrophobicContact CB-CG 4.12Å; R284-W414 HydrophobicContact CB-CZ2 4.32Å; R284-W414 PolarHBondContact O-NE1 2.88Å; R284-S419 PolarHBondContact NH1-OG 2.86Å
285	A	98.9	Very high	96	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.6	169.5	0	0	0	0	0	111.7	V277 L301 S302 L406 I407 L408	V277-A285 HydrophobicContact CG1-CB 3.74Å; V277-A285 HydrophobicContact CG2-CB 4.13Å; A285-L301 PolarHBondContact O-N 3.34Å; A285-S302 PolarHBondContact N-OG 2.81Å; A285-L406 HydrophobicContact CB-CD1 4.28Å; A285-I407 CarbonylContact C-O 3.6Å; A285-I407 VanDerWaalsContact CA-O 3.24Å; A285-I407 WeakPolarHBondContact CA-O 3.45Å; A285-L408 HydrophobicContact CB-CG 4.34Å
286	V	98.8	Very high	95.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	125.7	-176.9	-175	0	0	0	0	110.3	R284 A298 I407 W414 S419 V423	R284-V286 HydrophobicContact CG-CG2 4.08Å; V286-A298 HydrophobicContact CG1-CB 3.79Å; V286-I407 PolarHBondContact N-O 2.99Å; V286-I407 PolarHBondContact O-N 2.96Å; V286-W414 HydrophobicContact CB-CH2 3.96Å; V286-W414 HydrophobicContact CG2-CH2 3.45Å; V286-W414 VanDerWaalsContact CG2-CH2 3.45Å; V286-W414 HydrophobicContact CG2-CZ2 3.93Å; V286-W414 HydrophobicContact CG2-CZ3 3.92Å; V286-S419 WeakPolarHBondContact CG2-OG 3.48Å; V286-V423 HydrophobicContact CG1-CG2 3.65Å
287	L	98.7	Very high	95.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	127.7	176.1	-175.4	74.5	0	0	0	110.7	I275 V289 V299 L301 H397 D403 F405 L406 L517	I275-L287 HydrophobicContact CD1-CD1 3.94Å; L287-V289 HydrophobicContact CD2-CG2 3.93Å; L287-V289 HydrophobicContact CG-CG2 4.06Å; L287-V299 HydrophobicContact CB-CB 4.23Å; L287-V299 PolarHBondContact N-O 2.89Å; L287-V299 PolarHBondContact O-N 3.31Å; L287-L301 HydrophobicContact CB-CD1 4.02Å; L287-L301 HydrophobicContact CB-CD2 4.45Å; L287-L301 HydrophobicContact CB-CG 4.06Å; L287-H397 VanDerWaalsContact CD2-NE2 3.31Å; L287-H397 WeakPolarHBondContact CD2-NE2 3.45Å; L287-D403 HydrophobicContact CD1-CB 4.27Å; L287-D403 HydrophobicContact CD2-CB 4.16Å; L287-F405 WeakPolarHBondContact CD1-O 3.42Å; L287-L406 HydrophobicContact CB-CD1 4.48Å; L287-L517 HydrophobicContact CD1-CD1 3.73Å
288	G	98.3	Very high	95.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	115.3	172.3	0	0	0	0	0	111.8	R404 F405	G288-R404 PolarHBondContact O-N 3.35Å; G288-F405 PolarHBondContact N-O 3.4Å; G288-F405 PolarHBondContact O-N 3Å
289	V	96.8	Very high	95.6	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.03	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.4	-177.3	-177.7	0	0	0	0	109.7	L287 W296 S297 V299 Q402 D403	L287-V289 HydrophobicContact CD2-CG2 3.93Å; L287-V289 HydrophobicContact CG-CG2 4.06Å; V289-W296 WeakPolarHBondContact O-CA 3.42Å; V289-S297 PolarHBondContact N-O 3.14Å; V289-S297 PolarHBondContact O-N 2.81Å; V289-V299 HydrophobicContact CG2-CG2 3.84Å; V289-Q402 HydrophobicContact CG1-CB 3.78Å; V289-Q402 HydrophobicContact CG1-CG 3.47Å; V289-Q402 VanDerWaalsContact CG1-CG 3.47Å; V289-D403 WeakPolarHBondContact CG2-OD1 3.34Å
290	Q	94.4	Very high	95.6	Very high	52 Å²	52	35 Å²	35	24%	0.243	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	115.9	174.9	-168.7	178.4	35.8	0	0	110.2	W296 Q402 R404	Q290-W296 HydrophobicContact CB-CE3 4.08Å; Q290-W296 HydrophobicContact CB-CH2 3.97Å; Q290-W296 HydrophobicContact CB-CZ2 4.42Å; Q290-W296 HydrophobicContact CB-CZ3 3.77Å; Q290-W296 HydrophobicContact CG-CH2 4.33Å; Q290-W296 HydrophobicContact CG-CZ2 4.3Å; Q290-W296 HydrophobicContact CG-CZ3 4.47Å; Q290-Q402 PolarHBondContact N-O 3.43Å; Q290-Q402 WeakPolarHBondContact O-CB 3.35Å; Q290-R404 HydrophobicContact CB-CG 3.8Å; Q290-R404 VanDerWaalsContact OE1-NE 3.08Å
291	N	92.8	Very high	95.6	Very high	58 Å²	58	35.3 Å²	35.3	31%	0.31	21%	0.214	S	C	.	.			trans	-72.3	163.9	177.4	-60.3	-36.3	0	0	0	111	D293 G294 S295 S297	N291-D293 VanDerWaalsContact CB-OD1 3.27Å; N291-D293 WeakPolarHBondContact CB-OD1 3.28Å; N291-D293 PolarHBondContact O-N 2.8Å; N291-G294 PolarHBondContact O-N 3Å; N291-S295 WeakPolarHBondContact CB-O 3.33Å; N291-S295 WeakPolarHBondContact CB-OG 3.36Å; N291-S295 PolarHBondContact N-O 3.13Å; N291-S295 PolarHBondContact ND2-OG 2.96Å; N291-S297 PolarHBondContact OD1-OG 3.14Å; N291-S297 VanDerWaalsContact OD1-OG 3.13Å
292	S	89.5	Confident	95.6	Very high	140 Å²	140	35.8 Å²	35.8	98%	0.979	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.5	-178.8	53.9	0	0	0	0	114.2	G294	S292-G294 VanDerWaalsContact C-N 3.25Å
293	D	86.7	Confident	95.6	Very high	120 Å²	120	40 Å²	40	64%	0.642	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	0	175.4	67.5	-9.5	0	0	0	113.2	N291 S295	N291-D293 VanDerWaalsContact CB-OD1 3.27Å; N291-D293 WeakPolarHBondContact CB-OD1 3.28Å; N291-D293 PolarHBondContact O-N 2.8Å; D293-S295 VanDerWaalsContact C-N 3.32Å; D293-S295 VanDerWaalsContact CG-OG 3.29Å; D293-S295 VanDerWaalsContact OD1-CB 3.24Å; D293-S295 WeakPolarHBondContact OD1-CB 3.39Å; D293-S295 PolarHBondContact OD1-N 2.74Å; D293-S295 PolarHBondContact OD1-OG 2.65Å; D293-S295 PolarHBondContact OD2-OG 2.8Å
294	G	86.6	Confident	95.6	Very high	38 Å²	38	41.2 Å²	41.2	39%	0.392	24%	0.242	S	C	.	.	S	Bend	trans	85.1	-3	-176.7	0	0	0	0	0	114.5	N291 S292	N291-G294 PolarHBondContact O-N 3Å; S292-G294 VanDerWaalsContact C-N 3.25Å
295	S	89.1	Confident	95.6	Very high	47 Å²	47	38.9 Å²	38.9	33%	0.329	23%	0.233	S	C	.	.			trans	-71.6	162	173	69.9	0	0	0	0	111.7	N291 D293	N291-S295 WeakPolarHBondContact CB-O 3.33Å; N291-S295 WeakPolarHBondContact CB-OG 3.36Å; N291-S295 PolarHBondContact N-O 3.13Å; N291-S295 PolarHBondContact ND2-OG 2.96Å; D293-S295 VanDerWaalsContact C-N 3.32Å; D293-S295 VanDerWaalsContact CG-OG 3.29Å; D293-S295 VanDerWaalsContact OD1-CB 3.24Å; D293-S295 WeakPolarHBondContact OD1-CB 3.39Å; D293-S295 PolarHBondContact OD1-N 2.74Å; D293-S295 PolarHBondContact OD1-OG 2.65Å; D293-S295 PolarHBondContact OD2-OG 2.8Å
296	W	94.1	Very high	95.5	Very high	48 Å²	48	40 Å²	40	18%	0.182	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.6	-179.3	-67.8	98.1	0	0	0	110.7	V289 Q290 R404 F405 V423 G427 L430	V289-W296 WeakPolarHBondContact O-CA 3.42Å; Q290-W296 HydrophobicContact CB-CE3 4.08Å; Q290-W296 HydrophobicContact CB-CH2 3.97Å; Q290-W296 HydrophobicContact CB-CZ2 4.42Å; Q290-W296 HydrophobicContact CB-CZ3 3.77Å; Q290-W296 HydrophobicContact CG-CH2 4.33Å; Q290-W296 HydrophobicContact CG-CZ2 4.3Å; Q290-W296 HydrophobicContact CG-CZ3 4.47Å; W296-R404 HydrophobicContact CH2-CB 3.89Å; W296-R404 HydrophobicContact CH2-CG 3.66Å; W296-R404 HydrophobicContact CZ3-CB 3.74Å; W296-R404 HydrophobicContact CZ3-CG 3.59Å; W296-F405 AromaticContact CE3-CE1 3.87Å; W296-F405 HydrophobicContact CE3-CE1 3.87Å; W296-F405 HydrophobicContact CE3-CZ 4.23Å; W296-F405 HydrophobicContact CH2-CD1 4.32Å; W296-F405 AromaticContact CH2-CE1 3.74Å; W296-F405 HydrophobicContact CH2-CE1 3.74Å; W296-F405 HydrophobicContact CZ3-CD1 4.06Å; W296-F405 AromaticContact CZ3-CE1 3.35Å; W296-F405 HydrophobicContact CZ3-CE1 3.35Å; W296-F405 HydrophobicContact CZ3-CZ 4.14Å; W296-V423 HydrophobicContact CB-CG1 4.08Å; W296-G427 WeakPolarHBondContact CZ2-O 3.44Å; W296-G427 VanDerWaalsContact NE1-C 3.33Å; W296-G427 PolarHBondContact NE1-O 3.09Å; W296-L430 HydrophobicContact CH2-CD2 4.18Å
297	S	96.5	Very high	95.3	Very high	36 Å²	36	40.7 Å²	40.7	25%	0.252	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	140.2	171.8	55	0	0	0	0	110.8	V289 N291	V289-S297 PolarHBondContact N-O 3.14Å; V289-S297 PolarHBondContact O-N 2.81Å; N291-S297 PolarHBondContact OD1-OG 3.14Å; N291-S297 VanDerWaalsContact OD1-OG 3.13Å
298	A	98.3	Very high	95.2	Very high	16 Å²	16	47.6 Å²	47.6	13%	0.132	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.5	174.5	0	0	0	0	0	109.8	V286 S419 E420 V423	V286-A298 HydrophobicContact CG1-CB 3.79Å; A298-S419 WeakPolarHBondContact CB-O 3.35Å; A298-E420 HydrophobicContact CB-CG 4.27Å; A298-V423 HydrophobicContact CB-CB 4.05Å; A298-V423 HydrophobicContact CB-CG1 4.48Å; A298-V423 HydrophobicContact CB-CG2 3.75Å
299	V	98.4	Very high	95.1	Very high	48 Å²	48	48.6 Å²	48.6	29%	0.291	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	101.9	172	-179.2	0	0	0	0	107.6	L287 V289 L301	L287-V299 HydrophobicContact CB-CB 4.23Å; L287-V299 PolarHBondContact N-O 2.89Å; L287-V299 PolarHBondContact O-N 3.31Å; V289-V299 HydrophobicContact CG2-CG2 3.84Å; V299-L301 HydrophobicContact CG1-CD2 4.17Å; V299-L301 PolarHBondContact O-N 2.91Å
300	P	98.1	Very high	95.1	Very high	73 Å²	73	52.9 Å²	52.9	47%	0.474	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	130.1	174.4	-22.7	33.8	0	0	0	110.5
301	L	98.7	Very high	95.3	Very high	6 Å²	6	54.8 Å²	54.8	3%	0.031	31%	0.313	C	S	.	.	S	Bend	trans	-107.4	1.1	175.4	-60.7	-170.2	0	0	0	112.4	I275 V277 A285 L287 V299 T395 H397 L406	I275-L301 HydrophobicContact CG2-CD1 4.17Å; V277-L301 HydrophobicContact CB-CB 4.23Å; V277-L301 HydrophobicContact CG2-CB 3.73Å; V277-L301 HydrophobicContact CG2-CD1 3.99Å; A285-L301 PolarHBondContact O-N 3.34Å; L287-L301 HydrophobicContact CB-CD1 4.02Å; L287-L301 HydrophobicContact CB-CD2 4.45Å; L287-L301 HydrophobicContact CB-CG 4.06Å; V299-L301 HydrophobicContact CG1-CD2 4.17Å; V299-L301 PolarHBondContact O-N 2.91Å; L301-T395 WeakPolarHBondContact O-CB 3.28Å; L301-T395 PolarHBondContact O-OG1 3.09Å; L301-H397 HydrophobicContact CD1-CB 4.24Å; L301-H397 HydrophobicContact CD2-CB 3.89Å; L301-L406 HydrophobicContact CD1-CD1 3.84Å
302	S	98.5	Very high	95.5	Very high	9 Å²	9	52.2 Å²	52.2	6%	0.063	30%	0.3	C	S	.	.			trans	-140.3	158.4	170.6	64.4	0	0	0	0	110	R284 A285	R284-S302 WeakPolarHBondContact CA-OG 3.44Å; R284-S302 WeakPolarHBondContact CG-OG 3.16Å; A285-S302 PolarHBondContact N-OG 2.81Å
303	K	97.6	Very high	95.8	Very high	95 Å²	95	46.2 Å²	46.2	41%	0.413	26%	0.256	S	S	.	.			trans	-109.5	143.1	165.1	-63	176.5	-179.9	174.6	0	108.6	N279 D311	N279-K303 PolarHBondContact ND2-O 2.97Å; K303-D311 IonicContact NZ-OD2 2.8Å; K303-D311 PolarHBondContact NZ-OD2 2.89Å
304	D	98.3	Very high	96.3	Very high	25 Å²	25	45.7 Å²	45.7	13%	0.134	25%	0.25	C	C	.	.			trans	-72.4	134.6	176.5	-54.4	6.1	0	0	0	109.2	D282 R284 N306 N309	D282-D304 HydrophobicContact CB-CB 4.08Å; R284-D304 IonicContact CZ-OD1 2.86Å; R284-D304 IonicContact CZ-OD2 3.87Å; R284-D304 IonicContact NE-OD1 3.75Å; R284-D304 PolarHBondContact NE-OD1 3.26Å; R284-D304 IonicContact NE-OD2 2.86Å; R284-D304 PolarHBondContact NE-OD2 2.87Å; R284-D304 IonicContact NH2-OD1 2.91Å; R284-D304 IonicContact NH2-OD2 2.99Å; R284-D304 PolarHBondContact NH2-OD2 2.83Å; D304-N306 PolarHBondContact O-N 2.94Å; D304-N309 VanDerWaalsContact O-CB 3.22Å; D304-N309 WeakPolarHBondContact O-CB 3.34Å; D304-N309 PolarHBondContact O-ND2 3.36Å
305	H	98.3	Very high	96.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.24	C	C	.	.			trans	-93.9	72.6	176.1	-57.2	102.7	0	0	0	109.5	N279 G281 E312 L341 R342 E393	N279-H305 PolarHBondContact ND2-ND1 3.05Å; N279-H305 PolarHBondContact O-CE1 3.37Å; G281-H305 PolarHBondContact N-ND1 3.31Å; G281-H305 WeakPolarHBondContact O-CB 3.25Å; G281-H305 PolarHBondContact O-N 2.92Å; G281-H305 PolarHBondContact O-ND1 3.26Å; H305-E312 HydrophobicContact CB-CG 4.25Å; H305-E312 IonicContact CD2-OE1 3.5Å; H305-E312 IonicContact CD2-OE2 2.96Å; H305-L341 HydrophobicContact CB-CB 4.49Å; H305-L341 WeakPolarHBondContact O-CB 3.44Å; H305-L341 PolarHBondContact O-N 2.89Å; H305-R342 HydrophobicContact CB-CB 4.37Å; H305-R342 HydrophobicContact CB-CG 4.11Å; H305-R342 PolarHBondContact CD2-NE 3.42Å; H305-E393 WeakPolarHBondContact NE2-CB 3.43Å; H305-E393 IonicContact NE2-OE2 3.09Å
306	N	96.9	Very high	97.1	Very high	23 Å²	23	43.9 Å²	43.9	12%	0.123	22%	0.224	C	C	.	.	S	Bend	trans	-135.1	-176.9	176.9	63.9	35.3	0	0	0	110.7	D282 D304 Q308 N309 L341	D282-N306 HydrophobicContact CB-CB 4.37Å; D304-N306 PolarHBondContact O-N 2.94Å; N306-Q308 PolarHBondContact O-N 3.02Å; N306-Q308 VanDerWaalsContact O-N 3.14Å; N306-Q308 WeakPolarHBondContact OD1-CB 3.36Å; N306-Q308 PolarHBondContact OD1-N 3.27Å; N306-N309 WeakPolarHBondContact O-CB 3.43Å; N306-N309 PolarHBondContact O-N 3.08Å; N306-L341 VanDerWaalsContact C-CD1 3.43Å; N306-L341 WeakPolarHBondContact O-CD1 3.12Å
307	S	95.4	Very high	97.2	Very high	16 Å²	16	44.9 Å²	44.9	11%	0.112	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-10.7	-177.3	55.8	0	0	0	0	115.5	N309 L313 E332	S307-N309 VanDerWaalsContact C-N 3.31Å; S307-L313 WeakPolarHBondContact O-CD1 3.24Å; S307-E332 WeakPolarHBondContact CB-O 3.33Å; S307-E332 VanDerWaalsContact OG-CB 3.27Å; S307-E332 WeakPolarHBondContact OG-CB 3.49Å; S307-E332 PolarHBondContact OG-O 3.43Å
308	Q	95.6	Very high	97.2	Very high	145 Å²	145	47.2 Å²	47.2	68%	0.678	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-15.2	172.6	-54.5	-57.8	-49.6	0	0	112.1	N306 Q310	N306-Q308 PolarHBondContact O-N 3.02Å; N306-Q308 VanDerWaalsContact O-N 3.14Å; N306-Q308 WeakPolarHBondContact OD1-CB 3.36Å; N306-Q308 PolarHBondContact OD1-N 3.27Å; Q308-Q310 PolarHBondContact O-N 3.36Å
309	N	97.1	Very high	97.1	Very high	20 Å²	20	51 Å²	51	11%	0.107	27%	0.265	C	S	.	.			trans	-90.1	103.8	178.5	-174.9	-13.5	0	0	0	110.8	D304 N306 S307 D311 E312 L313	D304-N309 VanDerWaalsContact O-CB 3.22Å; D304-N309 WeakPolarHBondContact O-CB 3.34Å; D304-N309 PolarHBondContact O-ND2 3.36Å; N306-N309 WeakPolarHBondContact O-CB 3.43Å; N306-N309 PolarHBondContact O-N 3.08Å; S307-N309 VanDerWaalsContact C-N 3.31Å; N309-D311 VanDerWaalsContact C-N 3.33Å; N309-D311 PolarHBondContact O-N 2.95Å; N309-D311 WeakPolarHBondContact OD1-CB 3.5Å; N309-D311 PolarHBondContact OD1-N 3.47Å; N309-D311 VanDerWaalsContact OD1-N 3.14Å; N309-E312 HydrophobicContact CB-CB 3.91Å; N309-E312 WeakPolarHBondContact O-CB 3.42Å; N309-E312 PolarHBondContact O-N 2.92Å; N309-E312 VanDerWaalsContact O-N 3.17Å; N309-E312 PolarHBondContact OD1-N 3.34Å; N309-L313 PolarHBondContact O-N 2.96Å; N309-L313 VanDerWaalsContact O-N 3.07Å
310	Q	97.1	Very high	97.1	Very high	96 Å²	96	49.4 Å²	49.4	45%	0.449	25%	0.254	S	S	.	.	H	α-helix	trans	-64.7	-35.6	-177.9	-174.7	60.6	32	0	0	112.9	Q308 E312 L313 E314	Q308-Q310 PolarHBondContact O-N 3.36Å; Q310-E312 PolarHBondContact O-N 3.15Å; Q310-L313 PolarHBondContact O-N 3.39Å; Q310-E314 PolarHBondContact NE2-OE1 3.35Å; Q310-E314 WeakPolarHBondContact O-CG 3.4Å; Q310-E314 PolarHBondContact O-N 2.99Å
311	D	96.9	Very high	97.1	Very high	92 Å²	92	48.5 Å²	48.5	49%	0.492	25%	0.248	S	C	.	.	H	α-helix	trans	-60.5	-38.7	176.3	-60.2	-24.4	0	0	0	109.9	K303 N309 E314 R315	K303-D311 IonicContact NZ-OD2 2.8Å; K303-D311 PolarHBondContact NZ-OD2 2.89Å; N309-D311 VanDerWaalsContact C-N 3.33Å; N309-D311 PolarHBondContact O-N 2.95Å; N309-D311 WeakPolarHBondContact OD1-CB 3.5Å; N309-D311 PolarHBondContact OD1-N 3.47Å; N309-D311 VanDerWaalsContact OD1-N 3.14Å; D311-E314 PolarHBondContact O-N 2.85Å; D311-R315 WeakPolarHBondContact O-CB 3.25Å; D311-R315 PolarHBondContact O-N 3.47Å
312	E	97.3	Very high	97	Very high	4 Å²	4	54 Å²	54	2%	0.019	28%	0.284	C	S	.	.	H	α-helix	trans	-73.4	-39.4	-179.6	-168.1	65.7	176.5	0	0	112.8	H305 N309 Q310 E314 R315 I316 L341 R342	H305-E312 HydrophobicContact CB-CG 4.25Å; H305-E312 IonicContact CD2-OE1 3.5Å; H305-E312 IonicContact CD2-OE2 2.96Å; N309-E312 HydrophobicContact CB-CB 3.91Å; N309-E312 WeakPolarHBondContact O-CB 3.42Å; N309-E312 PolarHBondContact O-N 2.92Å; N309-E312 VanDerWaalsContact O-N 3.17Å; N309-E312 PolarHBondContact OD1-N 3.34Å; Q310-E312 PolarHBondContact O-N 3.15Å; E312-E314 VanDerWaalsContact C-N 3.3Å; E312-E314 PolarHBondContact O-N 3.09Å; E312-R315 VanDerWaalsContact CD-NE 3.27Å; E312-R315 PolarHBondContact O-N 3.03Å; E312-R315 IonicContact OE1-CZ 3.17Å; E312-R315 VanDerWaalsContact OE1-CZ 3.32Å; E312-R315 IonicContact OE1-NE 3.19Å; E312-R315 PolarHBondContact OE1-NE 2.99Å; E312-R315 VanDerWaalsContact OE1-NE 3.17Å; E312-R315 IonicContact OE1-NH2 2.72Å; E312-R315 PolarHBondContact OE1-NH2 3.29Å; E312-R315 IonicContact OE2-CZ 3.36Å; E312-R315 IonicContact OE2-NE 3.71Å; E312-R315 PolarHBondContact OE2-NE 3Å; E312-R315 IonicContact OE2-NH2 2.81Å; E312-I316 HydrophobicContact CG-CD1 4.47Å; E312-I316 PolarHBondContact O-N 2.68Å; E312-L341 HydrophobicContact CB-CD1 4.24Å; E312-L341 HydrophobicContact CG-CB 3.7Å; E312-L341 HydrophobicContact CG-CD1 3.59Å; E312-L341 HydrophobicContact CG-CG 4.27Å; E312-R342 WeakPolarHBondContact OE1-CG 3.44Å; E312-R342 IonicContact OE1-CZ 3.86Å; E312-R342 IonicContact OE1-NE 2.75Å; E312-R342 PolarHBondContact OE1-NE 3.08Å; E312-R342 IonicContact OE1-NH2 2.92Å; E312-R342 IonicContact OE2-CZ 3.63Å; E312-R342 IonicContact OE2-NE 2.87Å; E312-R342 PolarHBondContact OE2-NE 2.87Å; E312-R342 IonicContact OE2-NH2 2.8Å; E312-R342 PolarHBondContact OE2-NH2 3.21Å
313	L	96.6	Very high	96.9	Very high	14 Å²	14	58.5 Å²	58.5	7%	0.073	32%	0.316	C	S	.	.	H	α-helix	trans	-61.6	-40.4	172	-69.1	-178.8	0	0	0	111.8	S307 N309 Q310 R317 V329 L341	S307-L313 WeakPolarHBondContact O-CD1 3.24Å; N309-L313 PolarHBondContact O-N 2.96Å; N309-L313 VanDerWaalsContact O-N 3.07Å; Q310-L313 PolarHBondContact O-N 3.39Å; L313-R317 WeakPolarHBondContact O-CB 3.46Å; L313-R317 WeakPolarHBondContact O-CD 3.35Å; L313-R317 WeakPolarHBondContact O-CG 3.39Å; L313-R317 PolarHBondContact O-N 2.93Å; L313-R317 VanDerWaalsContact O-N 3.08Å; L313-V329 HydrophobicContact CD2-CB 4.06Å; L313-V329 HydrophobicContact CD2-CG1 3.84Å; L313-V329 HydrophobicContact CD2-CG2 3.86Å; L313-L341 HydrophobicContact CD2-CD1 4.16Å
314	E	96.4	Very high	96.8	Very high	108 Å²	108	54.2 Å²	54.2	51%	0.505	30%	0.297	S	S	.	.	H	α-helix	trans	-68.1	-42.8	177.1	-74.3	175.4	-164.7	0	0	111.6	Q310 D311 E312 R317 A318	Q310-E314 PolarHBondContact NE2-OE1 3.35Å; Q310-E314 WeakPolarHBondContact O-CG 3.4Å; Q310-E314 PolarHBondContact O-N 2.99Å; D311-E314 PolarHBondContact O-N 2.85Å; E312-E314 VanDerWaalsContact C-N 3.3Å; E312-E314 PolarHBondContact O-N 3.09Å; E314-R317 PolarHBondContact O-N 3.02Å; E314-A318 VanDerWaalsContact O-CB 3.32Å; E314-A318 WeakPolarHBondContact O-CB 3.48Å; E314-A318 PolarHBondContact O-N 3.31Å
315	R	96.7	Very high	96.7	Very high	47 Å²	47	60.2 Å²	60.2	18%	0.177	32%	0.318	C	S	.	.	H	α-helix	trans	-54.4	-55.7	174.2	-175.2	-170	67.2	69.2	2.4	111.3	D311 E312 R317 A318 Q319 L341 E389	D311-R315 WeakPolarHBondContact O-CB 3.25Å; D311-R315 PolarHBondContact O-N 3.47Å; E312-R315 VanDerWaalsContact CD-NE 3.27Å; E312-R315 PolarHBondContact O-N 3.03Å; E312-R315 IonicContact OE1-CZ 3.17Å; E312-R315 VanDerWaalsContact OE1-CZ 3.32Å; E312-R315 IonicContact OE1-NE 3.19Å; E312-R315 PolarHBondContact OE1-NE 2.99Å; E312-R315 VanDerWaalsContact OE1-NE 3.17Å; E312-R315 IonicContact OE1-NH2 2.72Å; E312-R315 PolarHBondContact OE1-NH2 3.29Å; E312-R315 IonicContact OE2-CZ 3.36Å; E312-R315 IonicContact OE2-NE 3.71Å; E312-R315 PolarHBondContact OE2-NE 3Å; E312-R315 IonicContact OE2-NH2 2.81Å; R315-R317 PolarHBondContact O-N 2.85Å; R315-A318 PolarHBondContact O-N 3.12Å; R315-Q319 VanDerWaalsContact NH1-CD 3.28Å; R315-Q319 WeakPolarHBondContact O-CG 3.35Å; R315-Q319 PolarHBondContact O-N 3.18Å; R315-L341 PolarHBondContact NH2-O 3.34Å; R315-E389 IonicContact CZ-OE1 2.75Å; R315-E389 IonicContact NH1-OE1 2.89Å; R315-E389 PolarHBondContact NH1-OE1 2.52Å
316	I	96.3	Very high	96.4	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-62.8	-47.2	-177.8	-72.3	166.8	0	0	0	110.6	E312 A318 Q319 H320 V328 L334 L341	E312-I316 HydrophobicContact CG-CD1 4.47Å; E312-I316 PolarHBondContact O-N 2.68Å; I316-A318 PolarHBondContact O-N 2.94Å; I316-Q319 WeakPolarHBondContact O-CB 3.32Å; I316-Q319 PolarHBondContact O-N 2.96Å; I316-H320 PolarHBondContact O-CD2 2.9Å; I316-H320 VanDerWaalsContact O-CD2 3.26Å; I316-V328 HydrophobicContact CG2-CB 3.94Å; I316-V328 HydrophobicContact CG2-CG1 3.43Å; I316-V328 VanDerWaalsContact CG2-CG1 3.43Å; I316-L334 HydrophobicContact CD1-CD1 4.36Å; I316-L334 HydrophobicContact CG2-CD1 4.39Å; I316-L341 HydrophobicContact CD1-CB 3.64Å; I316-L341 HydrophobicContact CD1-CD1 3.94Å; I316-L341 HydrophobicContact CD1-CD2 3.85Å; I316-L341 HydrophobicContact CD1-CG 3.99Å
317	R	96	Very high	96.4	Very high	69 Å²	69	67 Å²	67	26%	0.26	36%	0.356	S	S	.	.	H	α-helix	trans	-59.5	-31.4	178.7	-74.3	169.1	172.9	149.7	2.3	113	L313 E314 R315 Q319 R325 V328	L313-R317 WeakPolarHBondContact O-CB 3.46Å; L313-R317 WeakPolarHBondContact O-CD 3.35Å; L313-R317 WeakPolarHBondContact O-CG 3.39Å; L313-R317 PolarHBondContact O-N 2.93Å; L313-R317 VanDerWaalsContact O-N 3.08Å; E314-R317 PolarHBondContact O-N 3.02Å; R315-R317 PolarHBondContact O-N 2.85Å; R317-Q319 VanDerWaalsContact C-N 3.35Å; R317-R325 HydrophobicContact CB-CG 4.38Å; R317-R325 HydrophobicContact CG-CG 4.04Å; R317-R325 PolarHBondContact NE-O 2.81Å; R317-V328 HydrophobicContact CG-CG2 4.4Å
318	A	96.8	Very high	96.4	Very high	86 Å²	86	66.3 Å²	66.3	71%	0.711	35%	0.35	S	S	*	.	H	α-helix	trans	-76.5	-20.1	177.6	0	0	0	0	0	113.6	E314 R315 I316 H320	E314-A318 VanDerWaalsContact O-CB 3.32Å; E314-A318 WeakPolarHBondContact O-CB 3.48Å; E314-A318 PolarHBondContact O-N 3.31Å; R315-A318 PolarHBondContact O-N 3.12Å; I316-A318 PolarHBondContact O-N 2.94Å; A318-H320 VanDerWaalsContact C-N 3.33Å
319	Q	96.8	Very high	96.4	Very high	96 Å²	96	60.3 Å²	60.3	45%	0.449	32%	0.323	S	S	.	.	H	α-helix	trans	-79.7	-14.8	178.1	-72	176.5	-17.4	0	0	113.2	R315 I316 R317 E389	R315-Q319 VanDerWaalsContact NH1-CD 3.28Å; R315-Q319 WeakPolarHBondContact O-CG 3.35Å; R315-Q319 PolarHBondContact O-N 3.18Å; I316-Q319 WeakPolarHBondContact O-CB 3.32Å; I316-Q319 PolarHBondContact O-N 2.96Å; R317-Q319 VanDerWaalsContact C-N 3.35Å; Q319-E389 PolarHBondContact NE2-OE1 3.35Å
320	H	97.3	Very high	96.3	Very high	14 Å²	14	61.4 Å²	61.4	7%	0.065	33%	0.331	C	S	.	.	S	Bend	trans	-120	158.4	-177	-61.1	-78.2	0	0	0	112.4	I316 A318 E324 V328 T384 P386 Y387	I316-H320 PolarHBondContact O-CD2 2.9Å; I316-H320 VanDerWaalsContact O-CD2 3.26Å; A318-H320 VanDerWaalsContact C-N 3.33Å; H320-E324 HydrophobicContact CB-CB 4.3Å; H320-V328 VanDerWaalsContact CD2-CG1 3.48Å; H320-V328 WeakPolarHBondContact CD2-CG1 3.35Å; H320-T384 PolarHBondContact CE1-O 3.22Å; H320-T384 VanDerWaalsContact CE1-O 3.26Å; H320-T384 PolarHBondContact ND1-O 3.06Å; H320-T384 PolarHBondContact ND1-OG1 3.2Å; H320-P386 PolarHBondContact CE1-O 3.14Å; H320-Y387 AromaticContact CE1-CD1 3.21Å; H320-Y387 WeakPolarHBondContact CE1-CD1 3.46Å; H320-Y387 AromaticContact CE1-CE1 3.41Å; H320-Y387 VanDerWaalsContact CE1-CE1 3.41Å; H320-Y387 WeakPolarHBondContact CE1-CE1 3.08Å; H320-Y387 AromaticContact CE1-CG 3.75Å; H320-Y387 AromaticContact ND1-CD1 3.82Å; H320-Y387 AromaticContact ND1-CE1 3.52Å; H320-Y387 AromaticContact NE2-CD1 3.32Å; H320-Y387 VanDerWaalsContact NE2-CD1 3.32Å; H320-Y387 WeakPolarHBondContact NE2-CD1 3.39Å; H320-Y387 AromaticContact NE2-CE1 3.83Å
321	P	97.8	Very high	96.1	Very high	53 Å²	53	65.1 Å²	65.1	34%	0.344	35%	0.348	S	S	.	.			trans	-54	148.2	175.4	-27.1	35	0	0	0	113.2	S323 E324 T384	P321-S323 PolarHBondContact O-N 3.31Å; P321-E324 WeakPolarHBondContact CD-OE1 3.46Å; P321-E324 PolarHBondContact O-N 3.32Å; P321-T384 HydrophobicContact CG-CG2 4.02Å
322	P	96.6	Very high	96	Very high	122 Å²	122	65.7 Å²	65.7	79%	0.792	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-55.9	-25.3	179.7	-27.8	35	0	0	0	114.9	E324 R325	P322-E324 PolarHBondContact O-N 2.95Å; P322-R325 WeakPolarHBondContact O-CB 3.48Å; P322-R325 PolarHBondContact O-N 3.26Å
323	S	96.8	Very high	96	Very high	104 Å²	104	69.7 Å²	69.7	73%	0.727	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-63.7	-22.1	175.2	50.2	0	0	0	0	113.8	P321	P321-S323 PolarHBondContact O-N 3.31Å
324	E	97	Very high	96	Very high	5 Å²	5	69 Å²	69	2%	0.023	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-97.8	-3.9	-177.8	-62.1	-174.3	-127	0	0	112.7	H320 P321 P322 D326 T327 V328 L383 T384 Y387	H320-E324 HydrophobicContact CB-CB 4.3Å; P321-E324 WeakPolarHBondContact CD-OE1 3.46Å; P321-E324 PolarHBondContact O-N 3.32Å; P322-E324 PolarHBondContact O-N 2.95Å; E324-D326 PolarHBondContact O-N 2.82Å; E324-T327 WeakPolarHBondContact CA-OG1 3.47Å; E324-T327 WeakPolarHBondContact O-CA 3.22Å; E324-T327 PolarHBondContact O-N 3.34Å; E324-T327 PolarHBondContact O-OG1 2.75Å; E324-V328 HydrophobicContact CB-CG2 4.33Å; E324-V328 WeakPolarHBondContact O-CG2 3.22Å; E324-V328 PolarHBondContact O-N 2.69Å; E324-L383 HydrophobicContact CG-CD1 4.13Å; E324-T384 VanDerWaalsContact CD-OG1 3.3Å; E324-T384 WeakPolarHBondContact OE1-CB 3.31Å; E324-T384 VanDerWaalsContact OE1-CG2 3.22Å; E324-T384 WeakPolarHBondContact OE1-CG2 3.27Å; E324-T384 PolarHBondContact OE1-OG1 2.84Å; E324-T384 PolarHBondContact OE2-OG1 2.97Å; E324-Y387 WeakPolarHBondContact OE2-CE1 3.41Å; E324-Y387 PolarHBondContact OE2-OH 3.45Å
325	R	94.4	Very high	95.9	Very high	150 Å²	150	63.9 Å²	63.9	57%	0.566	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-34.6	-171.2	-172.7	178.5	-176.5	172.8	3.9	114.5	R317 P322	R317-R325 HydrophobicContact CB-CG 4.38Å; R317-R325 HydrophobicContact CG-CG 4.04Å; R317-R325 PolarHBondContact NE-O 2.81Å; P322-R325 WeakPolarHBondContact O-CB 3.48Å; P322-R325 PolarHBondContact O-N 3.26Å
326	D	93.5	Very high	95.8	Very high	134 Å²	134	63 Å²	63	72%	0.717	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-5.8	-179.2	-61.3	-33.7	0	0	0	113.2	E324 T330	E324-D326 PolarHBondContact O-N 2.82Å; D326-T330 VanDerWaalsContact O-CG2 3.27Å; D326-T330 WeakPolarHBondContact O-CG2 3.41Å
327	T	95.3	Very high	95.7	Very high	33 Å²	33	65.4 Å²	65.4	20%	0.202	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-23.2	180	57.5	0	0	0	0	113.5	E324 V329 N381	E324-T327 WeakPolarHBondContact CA-OG1 3.47Å; E324-T327 WeakPolarHBondContact O-CA 3.22Å; E324-T327 PolarHBondContact O-N 3.34Å; E324-T327 PolarHBondContact O-OG1 2.75Å; T327-V329 VanDerWaalsContact C-N 3.28Å; T327-V329 PolarHBondContact O-N 2.99Å; T327-N381 HydrophobicContact CG2-CB 4.27Å
328	V	95.9	Very high	95.7	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.347	C	S	.	.	S	Bend	trans	-61.1	-38.9	-178.3	-134	0	0	0	0	112.1	I316 R317 H320 E324 L335 Y387	I316-V328 HydrophobicContact CG2-CB 3.94Å; I316-V328 HydrophobicContact CG2-CG1 3.43Å; I316-V328 VanDerWaalsContact CG2-CG1 3.43Å; R317-V328 HydrophobicContact CG-CG2 4.4Å; H320-V328 VanDerWaalsContact CD2-CG1 3.48Å; H320-V328 WeakPolarHBondContact CD2-CG1 3.35Å; E324-V328 HydrophobicContact CB-CG2 4.33Å; E324-V328 WeakPolarHBondContact O-CG2 3.22Å; E324-V328 PolarHBondContact O-N 2.69Å; V328-L335 PolarHBondContact O-N 3.4Å; V328-Y387 HydrophobicContact CG1-CD1 3.63Å; V328-Y387 HydrophobicContact CG1-CE1 3.89Å
329	V	96.1	Very high	95.6	Very high	19 Å²	19	61.9 Å²	61.9	12%	0.115	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	113.2	174.2	-179.1	0	0	0	0	108.3	L313 T327 R333 L341	L313-V329 HydrophobicContact CD2-CB 4.06Å; L313-V329 HydrophobicContact CD2-CG1 3.84Å; L313-V329 HydrophobicContact CD2-CG2 3.86Å; T327-V329 VanDerWaalsContact C-N 3.28Å; T327-V329 PolarHBondContact O-N 2.99Å; V329-R333 CarbonylContact C-O 3.28Å; V329-R333 WeakPolarHBondContact CA-O 3.5Å; V329-L341 HydrophobicContact CG2-CD2 4.26Å
330	T	94.5	Very high	95.7	Very high	44 Å²	44	57.7 Å²	57.7	27%	0.27	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	143.1	178.9	54.3	0	0	0	0	109.1	D326 E332 R333 G336	D326-T330 VanDerWaalsContact O-CG2 3.27Å; D326-T330 WeakPolarHBondContact O-CG2 3.41Å; T330-E332 PolarHBondContact O-N 2.93Å; T330-E332 VanDerWaalsContact O-N 3.14Å; T330-R333 PolarHBondContact N-O 3.18Å; T330-R333 PolarHBondContact O-N 3.22Å; T330-G336 WeakPolarHBondContact O-CA 3.35Å; T330-G336 WeakPolarHBondContact OG1-CA 2.92Å; T330-G336 PolarHBondContact OG1-N 2.81Å
331	E	93	Very high	95.7	Very high	173 Å²	173	57 Å²	57	81%	0.808	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	42.9	-177.9	-56.2	-170.2	177.1	0	0	113.3	R333	E331-R333 PolarHBondContact O-N 2.79Å
332	E	94.8	Very high	95.7	Very high	105 Å²	105	55.7 Å²	55.7	49%	0.491	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	14.4	178.6	-66.3	171.1	-171	0	0	114.4	S307 T330	S307-E332 WeakPolarHBondContact CB-O 3.33Å; S307-E332 VanDerWaalsContact OG-CB 3.27Å; S307-E332 WeakPolarHBondContact OG-CB 3.49Å; S307-E332 PolarHBondContact OG-O 3.43Å; T330-E332 PolarHBondContact O-N 2.93Å; T330-E332 VanDerWaalsContact O-N 3.14Å
333	R	96.6	Very high	95.8	Very high	87 Å²	87	49.9 Å²	49.9	33%	0.328	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	145.3	-175.7	-70.1	168.4	178.2	-92.1	-10.4	112.6	V329 T330 E331 L335 G336 V337 L338 M339	V329-R333 CarbonylContact C-O 3.28Å; V329-R333 WeakPolarHBondContact CA-O 3.5Å; T330-R333 PolarHBondContact N-O 3.18Å; T330-R333 PolarHBondContact O-N 3.22Å; E331-R333 PolarHBondContact O-N 2.79Å; R333-L335 PolarHBondContact O-N 2.75Å; R333-G336 PolarHBondContact O-N 2.86Å; R333-V337 WeakPolarHBondContact CD-O 3.32Å; R333-V337 PolarHBondContact NH1-O 2.82Å; R333-L338 CarbonylContact C-O 3.26Å; R333-L338 WeakPolarHBondContact CA-O 3.27Å; R333-L338 WeakPolarHBondContact CB-O 3.41Å; R333-M339 HydrophobicContact CG-CG 4.26Å; R333-M339 HydrophobicContact CG-SD 3.6Å; R333-M339 PolarHBondContact NE-SD 3.49Å; R333-M339 VanDerWaalsContact NH2-CG 3.31Å; R333-M339 PolarHBondContact NH2-SD 2.78Å
334	L	96.6	Very high	95.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	119.9	170.6	-175.4	71.5	0	0	0	109.6	I316 G336 V337 L338 L341 F349 L388	I316-L334 HydrophobicContact CD1-CD1 4.36Å; I316-L334 HydrophobicContact CG2-CD1 4.39Å; L334-G336 PolarHBondContact O-N 2.79Å; L334-V337 PolarHBondContact O-N 2.89Å; L334-L338 HydrophobicContact CB-CB 4.23Å; L334-L338 HydrophobicContact CD2-CD2 4.4Å; L334-L338 PolarHBondContact N-O 3.43Å; L334-L338 PolarHBondContact O-N 3.1Å; L334-L341 HydrophobicContact CB-CD2 3.88Å; L334-L341 HydrophobicContact CD1-CD2 4.4Å; L334-F349 HydrophobicContact CD2-CB 4.47Å; L334-F349 HydrophobicContact CD2-CD1 4.05Å; L334-F349 HydrophobicContact CD2-CG 4.35Å; L334-L388 HydrophobicContact CD2-CB 4.02Å; L334-L388 HydrophobicContact CD2-CD1 3.92Å
335	L	96	Very high	96	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	25.8	-173.5	-56.1	178.7	0	0	0	113.9	V328 R333 V337 F349 P379 P380 Y382 Y387	V328-L335 PolarHBondContact O-N 3.4Å; R333-L335 PolarHBondContact O-N 2.75Å; L335-V337 VanDerWaalsContact C-N 3.28Å; L335-V337 PolarHBondContact O-N 2.92Å; L335-F349 HydrophobicContact CD1-CD1 4.11Å; L335-F349 HydrophobicContact CD1-CE1 4.43Å; L335-P379 HydrophobicContact CB-CB 4.11Å; L335-P379 HydrophobicContact CD1-CB 3.67Å; L335-P379 HydrophobicContact CD1-CG 4.37Å; L335-P380 VanDerWaalsContact O-CG 3.28Å; L335-P380 WeakPolarHBondContact O-CG 3.31Å; L335-Y382 HydrophobicContact CD1-CD2 3.64Å; L335-Y382 HydrophobicContact CD1-CE2 4.24Å; L335-Y387 HydrophobicContact CD1-CD1 4.22Å; L335-Y387 HydrophobicContact CD1-CD2 3.97Å; L335-Y387 HydrophobicContact CD1-CE2 4.31Å; L335-Y387 HydrophobicContact CD1-CG 3.9Å; L335-Y387 HydrophobicContact CD2-CD1 3.97Å; L335-Y387 HydrophobicContact CD2-CE1 3.96Å; L335-Y387 HydrophobicContact CD2-CG 4.48Å; L335-Y387 HydrophobicContact CG-CD1 4.35Å; L335-Y387 HydrophobicContact CG-CG 4.43Å
336	G	94.4	Very high	96.1	Very high	28 Å²	28	37.6 Å²	37.6	29%	0.289	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	8.2	-178.3	0	0	0	0	0	114.8	T330 R333 L334	T330-G336 WeakPolarHBondContact O-CA 3.35Å; T330-G336 WeakPolarHBondContact OG1-CA 2.92Å; T330-G336 PolarHBondContact OG1-N 2.81Å; R333-G336 PolarHBondContact O-N 2.86Å; L334-G336 PolarHBondContact O-N 2.79Å
337	V	93.5	Very high	96.2	Very high	52 Å²	52	31.3 Å²	31.3	32%	0.315	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-61	-172.3	-175.6	0	0	0	0	111.8	R333 L334 L335 F349 Y377	R333-V337 WeakPolarHBondContact CD-O 3.32Å; R333-V337 PolarHBondContact NH1-O 2.82Å; L334-V337 PolarHBondContact O-N 2.89Å; L335-V337 VanDerWaalsContact C-N 3.28Å; L335-V337 PolarHBondContact O-N 2.92Å; V337-F349 HydrophobicContact CB-CE1 4.21Å; V337-F349 HydrophobicContact CB-CZ 3.9Å; V337-F349 HydrophobicContact CG1-CZ 3.85Å; V337-Y377 HydrophobicContact CG2-CE1 3.94Å
338	L	95.2	Very high	96.1	Very high	14 Å²	14	31.4 Å²	31.4	7%	0.073	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-95.5	133.2	-167.3	-175.4	67.7	0	0	0	112	H138 R333 L334 P340 D346 F349 L388	H138-L338 VanDerWaalsContact NE2-CD1 3.3Å; H138-L338 WeakPolarHBondContact NE2-CD1 3.21Å; R333-L338 CarbonylContact C-O 3.26Å; R333-L338 WeakPolarHBondContact CA-O 3.27Å; R333-L338 WeakPolarHBondContact CB-O 3.41Å; L334-L338 HydrophobicContact CB-CB 4.23Å; L334-L338 HydrophobicContact CD2-CD2 4.4Å; L334-L338 PolarHBondContact N-O 3.43Å; L334-L338 PolarHBondContact O-N 3.1Å; L338-P340 HydrophobicContact CD1-CG 3.96Å; L338-P340 HydrophobicContact CD2-CG 4.41Å; L338-P340 WeakPolarHBondContact CD2-O 3.4Å; L338-P340 HydrophobicContact CG-CG 3.99Å; L338-P340 WeakPolarHBondContact CG-O 3.22Å; L338-D346 WeakPolarHBondContact CD2-OD2 3.48Å; L338-F349 HydrophobicContact CB-CE1 4.4Å; L338-F349 HydrophobicContact CB-CE2 4.13Å; L338-F349 HydrophobicContact CB-CZ 3.88Å; L338-F349 HydrophobicContact CD2-CD2 4.25Å; L338-F349 HydrophobicContact CD2-CE2 4.18Å; L338-L388 HydrophobicContact CD2-CD1 4.08Å; L338-L388 HydrophobicContact CD2-CD2 3.81Å
339	M	95.9	Very high	96.1	Very high	67 Å²	67	31.6 Å²	31.6	33%	0.33	16%	0.159	S	C	.	.	S	Bend	trans	-73.2	-56.5	177.5	-73.3	-69	-66.6	0	0	112.6	R333	R333-M339 HydrophobicContact CG-CG 4.26Å; R333-M339 HydrophobicContact CG-SD 3.6Å; R333-M339 PolarHBondContact NE-SD 3.49Å; R333-M339 VanDerWaalsContact NH2-CG 3.31Å; R333-M339 PolarHBondContact NH2-SD 2.78Å
340	P	97.6	Very high	96.2	Very high	8 Å²	8	32 Å²	32	5%	0.052	16%	0.159	C	C	.	.			trans	-69.1	139.5	178	27.4	-35.6	0	0	0	110.8	T264 L338	T264-P340 HydrophobicContact CG2-CB 3.87Å; T264-P340 HydrophobicContact CG2-CG 4.02Å; L338-P340 HydrophobicContact CD1-CG 3.96Å; L338-P340 HydrophobicContact CD2-CG 4.41Å; L338-P340 WeakPolarHBondContact CD2-O 3.4Å; L338-P340 HydrophobicContact CG-CG 3.99Å; L338-P340 WeakPolarHBondContact CG-O 3.22Å
341	L	98.2	Very high	96.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-94.7	-2.7	-178.8	-63.5	-176.9	0	0	0	112.7	H305 N306 E312 L313 R315 I316 V329 L334 L388	H305-L341 HydrophobicContact CB-CB 4.49Å; H305-L341 WeakPolarHBondContact O-CB 3.44Å; H305-L341 PolarHBondContact O-N 2.89Å; N306-L341 VanDerWaalsContact C-CD1 3.43Å; N306-L341 WeakPolarHBondContact O-CD1 3.12Å; E312-L341 HydrophobicContact CB-CD1 4.24Å; E312-L341 HydrophobicContact CG-CB 3.7Å; E312-L341 HydrophobicContact CG-CD1 3.59Å; E312-L341 HydrophobicContact CG-CG 4.27Å; L313-L341 HydrophobicContact CD2-CD1 4.16Å; R315-L341 PolarHBondContact NH2-O 3.34Å; I316-L341 HydrophobicContact CD1-CB 3.64Å; I316-L341 HydrophobicContact CD1-CD1 3.94Å; I316-L341 HydrophobicContact CD1-CD2 3.85Å; I316-L341 HydrophobicContact CD1-CG 3.99Å; V329-L341 HydrophobicContact CG2-CD2 4.26Å; L334-L341 HydrophobicContact CB-CD2 3.88Å; L334-L341 HydrophobicContact CD1-CD2 4.4Å; L341-L388 WeakPolarHBondContact O-CD1 3.41Å
342	R	98.6	Very high	96.3	Very high	24 Å²	24	24.7 Å²	24.7	9%	0.091	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-142.6	135.5	167.9	-55.9	-169.1	-164.3	176	13.2	109.6	A280 G281 H305 E312 E389 T391	A280-R342 CarbonylContact C-O 3.4Å; A280-R342 HydrophobicContact CB-CB 4.14Å; G281-R342 WeakPolarHBondContact CA-O 3.21Å; G281-R342 PolarHBondContact N-O 2.93Å; H305-R342 HydrophobicContact CB-CB 4.37Å; H305-R342 HydrophobicContact CB-CG 4.11Å; H305-R342 PolarHBondContact CD2-NE 3.42Å; E312-R342 WeakPolarHBondContact OE1-CG 3.44Å; E312-R342 IonicContact OE1-CZ 3.86Å; E312-R342 IonicContact OE1-NE 2.75Å; E312-R342 PolarHBondContact OE1-NE 3.08Å; E312-R342 IonicContact OE1-NH2 2.92Å; E312-R342 IonicContact OE2-CZ 3.63Å; E312-R342 IonicContact OE2-NE 2.87Å; E312-R342 PolarHBondContact OE2-NE 2.87Å; E312-R342 IonicContact OE2-NH2 2.8Å; E312-R342 PolarHBondContact OE2-NH2 3.21Å; R342-E389 WeakPolarHBondContact CA-O 3.43Å; R342-E389 VanDerWaalsContact CB-O 3.24Å; R342-E389 WeakPolarHBondContact CB-O 3.46Å; R342-T391 VanDerWaalsContact CD-O 3.27Å; R342-T391 WeakPolarHBondContact CD-O 3.16Å; R342-T391 PolarHBondContact NH1-O 3.02Å
343	A	98.7	Very high	96.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.			trans	-160.9	156.7	175.1	0	0	0	0	0	111.9	C263 K350 L388 E389	C263-A343 WeakPolarHBondContact O-CA 3.39Å; C263-A343 WeakPolarHBondContact O-CB 3.47Å; A343-K350 PolarHBondContact O-NZ 2.76Å; A343-L388 HydrophobicContact CB-CD2 4.22Å; A343-E389 PolarHBondContact N-O 2.88Å
344	F	98.9	Very high	96	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	157.1	161	-75.4	-87.2	0	0	0	110.7	V147 L151 F231 L234 D235 I238 G262 C263 A265 D346 V390	V147-F344 HydrophobicContact CG1-CD2 3.91Å; V147-F344 HydrophobicContact CG1-CE2 3.95Å; V147-F344 HydrophobicContact CG1-CG 4.24Å; V147-F344 HydrophobicContact CG1-CZ 4.3Å; V147-F344 HydrophobicContact CG2-CB 3.73Å; V147-F344 HydrophobicContact CG2-CD1 3.92Å; V147-F344 HydrophobicContact CG2-CD2 4.12Å; V147-F344 HydrophobicContact CG2-CG 3.65Å; L151-F344 HydrophobicContact CD1-CZ 3.95Å; L151-F344 HydrophobicContact CD2-CE2 4.06Å; L151-F344 HydrophobicContact CD2-CZ 3.93Å; F231-F344 HydrophobicContact CB-CZ 3.99Å; F231-F344 AromaticContact CD1-CE2 3.6Å; F231-F344 HydrophobicContact CD1-CE2 3.6Å; F231-F344 AromaticContact CD1-CZ 3.61Å; F231-F344 HydrophobicContact CD1-CZ 3.61Å; F231-F344 AromaticContact CE1-CE2 3.88Å; F231-F344 HydrophobicContact CE1-CE2 3.88Å; F231-F344 HydrophobicContact CE1-CZ 4.24Å; F231-F344 HydrophobicContact CG-CE2 4.24Å; F231-F344 AromaticContact CG-CZ 3.78Å; F231-F344 HydrophobicContact CG-CZ 3.78Å; F231-F344 VanDerWaalsContact O-CE1 3.28Å; F231-F344 WeakPolarHBondContact O-CE1 3.34Å; L234-F344 HydrophobicContact CB-CE1 4.05Å; L234-F344 HydrophobicContact CD2-CE1 4.06Å; L234-F344 HydrophobicContact CG-CE1 4.08Å; D235-F344 HydrophobicContact CB-CD1 3.77Å; D235-F344 HydrophobicContact CB-CE1 4.03Å; D235-F344 WeakPolarHBondContact OD1-CA 3.21Å; I238-F344 HydrophobicContact CD1-CD1 4.27Å; G262-F344 WeakPolarHBondContact CA-O 3.44Å; C263-F344 HydrophobicContact CB-CB 4.25Å; C263-F344 PolarHBondContact N-O 3.14Å; C263-F344 VanDerWaalsContact N-O 3.16Å; C263-F344 PolarHBondContact O-N 3.01Å; A265-F344 HydrophobicContact CB-CD2 3.94Å; A265-F344 HydrophobicContact CB-CE2 3.6Å; F344-D346 PolarHBondContact O-N 2.69Å; F344-V390 HydrophobicContact CB-CG2 4.34Å; F344-V390 HydrophobicContact CD1-CG2 3.67Å; F344-V390 HydrophobicContact CD2-CG2 3.46Å; F344-V390 VanDerWaalsContact CD2-CG2 3.46Å; F344-V390 HydrophobicContact CE1-CG2 3.68Å; F344-V390 HydrophobicContact CE2-CG2 3.47Å; F344-V390 VanDerWaalsContact CE2-CG2 3.47Å; F344-V390 HydrophobicContact CG-CG2 3.56Å; F344-V390 HydrophobicContact CZ-CG2 3.59Å
345	G	98.3	Very high	95.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.8	-132.3	177	0	0	0	0	0	110.5	D235 A259 A261 V347 K350	D235-G345 PolarHBondContact OD1-N 2.96Å; A259-G345 CarbonylContact O-C 3.52Å; A259-G345 VanDerWaalsContact O-C 3.28Å; A259-G345 WeakPolarHBondContact O-CA 3.14Å; A261-G345 WeakPolarHBondContact O-CA 3.47Å; G345-V347 PolarHBondContact O-N 2.89Å; G345-V347 VanDerWaalsContact O-N 3.09Å; G345-K350 WeakPolarHBondContact O-CD 3.36Å; G345-K350 WeakPolarHBondContact O-CE 3.26Å; G345-K350 PolarHBondContact O-NZ 2.87Å
346	D	97	Very high	95.5	Very high	2 Å²	2	26 Å²	26	1%	0.011	14%	0.14	C	C	.	.			trans	48.7	40.1	178.7	-89.2	-38.4	0	0	0	112.8	H138 A259 A261 L338 F344 R348 F349 L388	H138-D346 IonicContact CD2-OD1 2.67Å; H138-D346 IonicContact CD2-OD2 3.97Å; H138-D346 IonicContact CE1-OD2 3.61Å; H138-D346 PolarHBondContact CE1-OD2 2.93Å; H138-D346 IonicContact NE2-OD1 2.94Å; H138-D346 IonicContact NE2-OD2 3.73Å; H138-D346 PolarHBondContact NE2-OD2 2.89Å; A259-D346 PolarHBondContact O-N 2.86Å; A261-D346 PolarHBondContact O-N 2.85Å; L338-D346 WeakPolarHBondContact CD2-OD2 3.48Å; F344-D346 PolarHBondContact O-N 2.69Å; D346-R348 PolarHBondContact O-N 2.82Å; D346-F349 HydrophobicContact CB-CD2 4.03Å; D346-F349 PolarHBondContact O-N 3.21Å; D346-L388 HydrophobicContact CB-CD2 3.34Å
347	V	96	Very high	95.2	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.012	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-59.7	-17.1	-172.8	-66.8	0	0	0	0	113.5	A259 F260 G345 F349 K350 W351	A259-V347 HydrophobicContact CB-CG1 3.93Å; A259-V347 HydrophobicContact CB-CG2 4.16Å; A259-V347 WeakPolarHBondContact O-CG1 3.47Å; A259-V347 WeakPolarHBondContact O-CG2 3.43Å; A259-V347 PolarHBondContact O-N 3.29Å; F260-V347 HydrophobicContact CD2-CG2 3.69Å; F260-V347 HydrophobicContact CE2-CG2 3.84Å; F260-V347 HydrophobicContact CG-CG2 4.06Å; F260-V347 HydrophobicContact CZ-CG2 4.31Å; G345-V347 PolarHBondContact O-N 2.89Å; G345-V347 VanDerWaalsContact O-N 3.09Å; V347-F349 PolarHBondContact O-N 3.38Å; V347-K350 PolarHBondContact O-N 3.44Å; V347-W351 HydrophobicContact CB-CD2 3.61Å; V347-W351 HydrophobicContact CB-CE3 3.98Å; V347-W351 HydrophobicContact CB-CG 3.97Å; V347-W351 HydrophobicContact CB-CH2 4.3Å; V347-W351 HydrophobicContact CB-CZ2 3.94Å; V347-W351 HydrophobicContact CB-CZ3 4.31Å; V347-W351 HydrophobicContact CG1-CD2 4.21Å; V347-W351 HydrophobicContact CG1-CH2 4.39Å; V347-W351 HydrophobicContact CG1-CZ2 3.74Å; V347-W351 HydrophobicContact CG2-CD2 3.93Å; V347-W351 HydrophobicContact CG2-CE3 3.75Å; V347-W351 HydrophobicContact CG2-CH2 3.89Å; V347-W351 HydrophobicContact CG2-CZ2 4.05Å; V347-W351 HydrophobicContact CG2-CZ3 3.73Å; V347-W351 WeakPolarHBondContact O-CB 3.47Å; V347-W351 PolarHBondContact O-N 2.75Å
348	R	92.8	Very high	95.1	Very high	34 Å²	34	31 Å²	31	13%	0.128	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-57.4	-24.7	169.9	-68.7	-175.4	-68.8	-157	-4.5	114.1	F260 D346 Q356 Y382	F260-R348 HydrophobicContact CD1-CG 3.64Å; F260-R348 HydrophobicContact CE1-CG 3.68Å; D346-R348 PolarHBondContact O-N 2.82Å; R348-Q356 PolarHBondContact O-NE2 3.28Å; R348-Y382 WeakPolarHBondContact O-CE2 3.28Å; R348-Y382 VanDerWaalsContact O-CZ 3.23Å; R348-Y382 PolarHBondContact O-OH 3.06Å; R348-Y382 VanDerWaalsContact O-OH 3.08Å
349	F	95.9	Very high	94.8	Very high	5 Å²	5	31 Å²	31	2%	0.022	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-100.9	0.1	176	-59.1	-85.6	0	0	0	113.1	L334 L335 V337 L338 D346 V347 P379 Y387 L388	L334-F349 HydrophobicContact CD2-CB 4.47Å; L334-F349 HydrophobicContact CD2-CD1 4.05Å; L334-F349 HydrophobicContact CD2-CG 4.35Å; L335-F349 HydrophobicContact CD1-CD1 4.11Å; L335-F349 HydrophobicContact CD1-CE1 4.43Å; V337-F349 HydrophobicContact CB-CE1 4.21Å; V337-F349 HydrophobicContact CB-CZ 3.9Å; V337-F349 HydrophobicContact CG1-CZ 3.85Å; L338-F349 HydrophobicContact CB-CE1 4.4Å; L338-F349 HydrophobicContact CB-CE2 4.13Å; L338-F349 HydrophobicContact CB-CZ 3.88Å; L338-F349 HydrophobicContact CD2-CD2 4.25Å; L338-F349 HydrophobicContact CD2-CE2 4.18Å; D346-F349 HydrophobicContact CB-CD2 4.03Å; D346-F349 PolarHBondContact O-N 3.21Å; V347-F349 PolarHBondContact O-N 3.38Å; F349-P379 HydrophobicContact CD1-CG 3.97Å; F349-P379 HydrophobicContact CE1-CB 4.18Å; F349-P379 HydrophobicContact CE1-CG 3.69Å; F349-P379 HydrophobicContact CZ-CG 4.27Å; F349-Y387 PolarHBondContact O-N 3.27Å; F349-L388 HydrophobicContact CB-CB 3.65Å; F349-L388 HydrophobicContact CB-CD2 4.19Å; F349-L388 PolarHBondContact O-N 3.25Å
350	K	96.9	Very high	94.3	Very high	28 Å²	28	28.4 Å²	28.4	12%	0.122	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-46.5	-174.5	-57.7	-177.7	177.8	167.8	0	112.7	D235 A343 G345 V347 Y382 P386 L388	D235-K350 IonicContact OD1-NZ 2.64Å; D235-K350 PolarHBondContact OD1-NZ 2.98Å; D235-K350 IonicContact OD2-NZ 3.58Å; D235-K350 PolarHBondContact OD2-NZ 2.86Å; A343-K350 PolarHBondContact O-NZ 2.76Å; G345-K350 WeakPolarHBondContact O-CD 3.36Å; G345-K350 WeakPolarHBondContact O-CE 3.26Å; G345-K350 PolarHBondContact O-NZ 2.87Å; V347-K350 PolarHBondContact O-N 3.44Å; K350-Y382 PolarHBondContact N-OH 3.44Å; K350-P386 HydrophobicContact CB-CB 4.43Å; K350-L388 HydrophobicContact CG-CB 4.26Å
351	W	96.3	Very high	93.6	Very high	15 Å²	15	30.7 Å²	30.7	6%	0.057	17%	0.166	C	C	.	.	S	Bend	trans	-78.9	156	-175	-70.4	-5.8	0	0	0	112.9	S239 A242 Q243 F260 V347 L355 Q356 I359 Y382	S239-W351 WeakPolarHBondContact O-CZ2 3.28Å; S239-W351 PolarHBondContact OG-NE1 2.82Å; A242-W351 HydrophobicContact CB-CH2 3.81Å; A242-W351 HydrophobicContact CB-CZ2 4.26Å; Q243-W351 HydrophobicContact CG-CH2 4.03Å; Q243-W351 HydrophobicContact CG-CZ2 3.86Å; F260-W351 AromaticContact CE2-CZ3 3.93Å; F260-W351 HydrophobicContact CE2-CZ3 3.93Å; F260-W351 HydrophobicContact CZ-CZ3 4.41Å; V347-W351 HydrophobicContact CB-CD2 3.61Å; V347-W351 HydrophobicContact CB-CE3 3.98Å; V347-W351 HydrophobicContact CB-CG 3.97Å; V347-W351 HydrophobicContact CB-CH2 4.3Å; V347-W351 HydrophobicContact CB-CZ2 3.94Å; V347-W351 HydrophobicContact CB-CZ3 4.31Å; V347-W351 HydrophobicContact CG1-CD2 4.21Å; V347-W351 HydrophobicContact CG1-CH2 4.39Å; V347-W351 HydrophobicContact CG1-CZ2 3.74Å; V347-W351 HydrophobicContact CG2-CD2 3.93Å; V347-W351 HydrophobicContact CG2-CE3 3.75Å; V347-W351 HydrophobicContact CG2-CH2 3.89Å; V347-W351 HydrophobicContact CG2-CZ2 4.05Å; V347-W351 HydrophobicContact CG2-CZ3 3.73Å; V347-W351 WeakPolarHBondContact O-CB 3.47Å; V347-W351 PolarHBondContact O-N 2.75Å; W351-L355 HydrophobicContact CB-CB 4.39Å; W351-L355 HydrophobicContact CB-CD2 4.01Å; W351-L355 HydrophobicContact CB-CG 4.37Å; W351-L355 HydrophobicContact CD2-CD2 3.7Å; W351-L355 HydrophobicContact CD2-CG 4.01Å; W351-L355 HydrophobicContact CE3-CD2 4.2Å; W351-L355 HydrophobicContact CE3-CG 3.98Å; W351-L355 HydrophobicContact CG-CD2 3.61Å; W351-L355 HydrophobicContact CG-CG 4.21Å; W351-Q356 HydrophobicContact CB-CG 3.82Å; W351-Q356 HydrophobicContact CE3-CG 4.18Å; W351-Q356 PolarHBondContact O-NE2 2.86Å; W351-I359 HydrophobicContact CH2-CG1 4.26Å; W351-I359 HydrophobicContact CZ3-CB 4.13Å; W351-I359 HydrophobicContact CZ3-CG1 3.8Å; W351-I359 HydrophobicContact CZ3-CG2 4.17Å; W351-Y382 WeakPolarHBondContact O-CE1 3.13Å; W351-Y382 PolarHBondContact O-OH 2.93Å
352	S	95.1	Very high	92.9	Very high	48 Å²	48	33.3 Å²	33.3	34%	0.336	18%	0.184	S	C	.	.			trans	-64.9	156.7	167.5	91.4	0	0	0	0	111.1	E354 L355 Q356	S352-E354 VanDerWaalsContact C-N 3.26Å; S352-E354 VanDerWaalsContact CB-OE2 3.23Å; S352-E354 WeakPolarHBondContact CB-OE2 3.44Å; S352-E354 PolarHBondContact O-N 3.25Å; S352-E354 PolarHBondContact OG-N 3.13Å; S352-E354 PolarHBondContact OG-OE2 3.36Å; S352-L355 PolarHBondContact O-N 3.47Å; S352-L355 PolarHBondContact OG-N 2.65Å; S352-Q356 WeakPolarHBondContact O-CG 3.34Å; S352-Q356 PolarHBondContact O-N 2.75Å
353	V	91.7	Very high	91.9	Very high	37 Å²	37	32.6 Å²	32.6	22%	0.224	18%	0.182	C	C	.	.	H	α-helix	trans	-60.9	-39.1	-179.8	178.2	0	0	0	0	111	Q356 Q357 T378 Y382	V353-Q356 PolarHBondContact O-N 3.23Å; V353-Q357 HydrophobicContact CG1-CG 4.42Å; V353-Q357 WeakPolarHBondContact O-CG 3.4Å; V353-Q357 PolarHBondContact O-N 3.03Å; V353-T378 HydrophobicContact CG2-CG2 3.99Å; V353-Y382 HydrophobicContact CG2-CD1 3.74Å; V353-Y382 HydrophobicContact CG2-CE1 4.12Å
354	E	92.5	Very high	90.3	Very high	131 Å²	131	37.5 Å²	37.5	61%	0.612	21%	0.205	S	C	*	.	H	α-helix	trans	-63.8	-43.3	179.6	-55.8	72.1	-155.7	0	0	111.1	S352 Q357 S358	S352-E354 VanDerWaalsContact C-N 3.26Å; S352-E354 VanDerWaalsContact CB-OE2 3.23Å; S352-E354 WeakPolarHBondContact CB-OE2 3.44Å; S352-E354 PolarHBondContact O-N 3.25Å; S352-E354 PolarHBondContact OG-N 3.13Å; S352-E354 PolarHBondContact OG-OE2 3.36Å; E354-Q357 PolarHBondContact O-N 3.16Å; E354-S358 WeakPolarHBondContact O-CB 3.33Å; E354-S358 PolarHBondContact O-N 3.46Å; E354-S358 PolarHBondContact O-OG 2.94Å
355	L	92.9	Very high	88.4	Confident	44 Å²	44	42.5 Å²	42.5	23%	0.23	25%	0.247	C	C	.	.	H	α-helix	trans	-64	-47.4	177.3	-179.7	58.4	0	0	0	110.6	Q243 W351 S352 Q357 S358 I359	Q243-L355 HydrophobicContact CG-CD1 4.34Å; W351-L355 HydrophobicContact CB-CB 4.39Å; W351-L355 HydrophobicContact CB-CD2 4.01Å; W351-L355 HydrophobicContact CB-CG 4.37Å; W351-L355 HydrophobicContact CD2-CD2 3.7Å; W351-L355 HydrophobicContact CD2-CG 4.01Å; W351-L355 HydrophobicContact CE3-CD2 4.2Å; W351-L355 HydrophobicContact CE3-CG 3.98Å; W351-L355 HydrophobicContact CG-CD2 3.61Å; W351-L355 HydrophobicContact CG-CG 4.21Å; S352-L355 PolarHBondContact O-N 3.47Å; S352-L355 PolarHBondContact OG-N 2.65Å; L355-Q357 VanDerWaalsContact C-N 3.34Å; L355-Q357 PolarHBondContact O-N 3.26Å; L355-S358 PolarHBondContact O-N 2.9Å; L355-S358 PolarHBondContact O-OG 3.4Å; L355-I359 HydrophobicContact CD1-CD1 4.4Å; L355-I359 HydrophobicContact CD1-CG1 4.05Å; L355-I359 WeakPolarHBondContact O-CG1 3.16Å; L355-I359 PolarHBondContact O-N 3.17Å
356	Q	90	Very high	86.6	Confident	8 Å²	8	46.1 Å²	46.1	4%	0.037	28%	0.284	C	S	.	.	H	α-helix	trans	-55.6	-48.5	177.2	-66.9	179.5	42.1	0	0	111.8	R348 W351 S352 V353 S358 I359 L360	R348-Q356 PolarHBondContact O-NE2 3.28Å; W351-Q356 HydrophobicContact CB-CG 3.82Å; W351-Q356 HydrophobicContact CE3-CG 4.18Å; W351-Q356 PolarHBondContact O-NE2 2.86Å; S352-Q356 WeakPolarHBondContact O-CG 3.34Å; S352-Q356 PolarHBondContact O-N 2.75Å; V353-Q356 PolarHBondContact O-N 3.23Å; Q356-S358 PolarHBondContact O-N 3.01Å; Q356-I359 PolarHBondContact O-N 3.45Å; Q356-L360 WeakPolarHBondContact O-CG 3.41Å; Q356-L360 PolarHBondContact O-N 3.3Å; Q356-L360 VanDerWaalsContact O-N 3.08Å
357	Q	88.1	Confident	85.1	Confident	120 Å²	120	48.6 Å²	48.6	56%	0.561	30%	0.299	S	S	*	.	H	α-helix	trans	-63.2	-41.7	178.8	-72.1	175.3	-2.6	0	0	112	V353 E354 L355 I359 L360 A361	V353-Q357 HydrophobicContact CG1-CG 4.42Å; V353-Q357 WeakPolarHBondContact O-CG 3.4Å; V353-Q357 PolarHBondContact O-N 3.03Å; E354-Q357 PolarHBondContact O-N 3.16Å; L355-Q357 VanDerWaalsContact C-N 3.34Å; L355-Q357 PolarHBondContact O-N 3.26Å; Q357-I359 PolarHBondContact O-N 2.81Å; Q357-L360 PolarHBondContact O-N 2.92Å; Q357-A361 VanDerWaalsContact O-CB 3.27Å; Q357-A361 WeakPolarHBondContact O-CB 3.44Å; Q357-A361 PolarHBondContact O-N 3.29Å
358	S	90.1	Very high	83.9	Confident	63 Å²	63	53.3 Å²	53.3	44%	0.441	32%	0.324	S	S	.	.	H	α-helix	trans	-63.6	-40.8	179.8	74	0	0	0	0	112.8	E354 L355 Q356 S362	E354-S358 WeakPolarHBondContact O-CB 3.33Å; E354-S358 PolarHBondContact O-N 3.46Å; E354-S358 PolarHBondContact O-OG 2.94Å; L355-S358 PolarHBondContact O-N 2.9Å; L355-S358 PolarHBondContact O-OG 3.4Å; Q356-S358 PolarHBondContact O-N 3.01Å; S358-S362 PolarHBondContact O-N 3.22Å
359	I	89.3	Confident	83.1	Confident	14 Å²	14	52.7 Å²	52.7	7%	0.072	32%	0.323	C	S	.	.	H	α-helix	trans	-68.6	-45	178.3	-64.1	-58.6	0	0	0	110.9	Q243 I256 F260 W351 L355 Q356 Q357 S362	Q243-I359 HydrophobicContact CB-CD1 4.38Å; Q243-I359 HydrophobicContact CG-CD1 4.18Å; I256-I359 HydrophobicContact CD1-CG2 3.85Å; I256-I359 HydrophobicContact CG1-CG2 4.1Å; I256-I359 HydrophobicContact CG2-CG2 4.46Å; F260-I359 HydrophobicContact CE2-CG2 4.36Å; W351-I359 HydrophobicContact CH2-CG1 4.26Å; W351-I359 HydrophobicContact CZ3-CB 4.13Å; W351-I359 HydrophobicContact CZ3-CG1 3.8Å; W351-I359 HydrophobicContact CZ3-CG2 4.17Å; L355-I359 HydrophobicContact CD1-CD1 4.4Å; L355-I359 HydrophobicContact CD1-CG1 4.05Å; L355-I359 WeakPolarHBondContact O-CG1 3.16Å; L355-I359 PolarHBondContact O-N 3.17Å; Q356-I359 PolarHBondContact O-N 3.45Å; Q357-I359 PolarHBondContact O-N 2.81Å; I359-S362 WeakPolarHBondContact O-CB 3.08Å; I359-S362 PolarHBondContact O-N 3.39Å; I359-S362 PolarHBondContact O-OG 2.65Å
360	L	84.6	Confident	81.9	Confident	13 Å²	13	57.4 Å²	57.4	7%	0.068	35%	0.349	C	S	.	.	H	α-helix	trans	-64.7	-44.2	178.6	-68.4	173.4	0	0	0	112	F260 Q356 Q357 S362 L363 E364 L369 L374 Q376	F260-L360 HydrophobicContact CE1-CD1 4.26Å; F260-L360 HydrophobicContact CE1-CD2 4Å; F260-L360 HydrophobicContact CE1-CG 4.33Å; F260-L360 HydrophobicContact CE2-CD2 4.42Å; F260-L360 HydrophobicContact CZ-CD1 4.28Å; F260-L360 HydrophobicContact CZ-CD2 3.76Å; F260-L360 HydrophobicContact CZ-CG 3.93Å; Q356-L360 WeakPolarHBondContact O-CG 3.41Å; Q356-L360 PolarHBondContact O-N 3.3Å; Q356-L360 VanDerWaalsContact O-N 3.08Å; Q357-L360 PolarHBondContact O-N 2.92Å; L360-S362 PolarHBondContact O-N 3.33Å; L360-L363 WeakPolarHBondContact O-CB 3.39Å; L360-L363 PolarHBondContact O-N 3.19Å; L360-E364 PolarHBondContact O-N 3.22Å; L360-L369 HydrophobicContact CD2-CD2 4.49Å; L360-L374 HydrophobicContact CD2-CB 4.47Å; L360-L374 HydrophobicContact CD2-CD1 4.48Å; L360-Q376 HydrophobicContact CD1-CG 4.11Å
361	A	84.8	Confident	80.4	Confident	57 Å²	57	59.6 Å²	59.6	47%	0.471	37%	0.367	S	S	.	.	H	α-helix	trans	-59.2	-29.5	175.1	0	0	0	0	0	112.3	Q357 L363	Q357-A361 VanDerWaalsContact O-CB 3.27Å; Q357-A361 WeakPolarHBondContact O-CB 3.44Å; Q357-A361 PolarHBondContact O-N 3.29Å; A361-L363 PolarHBondContact O-N 3.01Å
362	S	82.6	Confident	79	Confident	54 Å²	54	59.9 Å²	59.9	38%	0.378	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-11.1	176.1	90.1	0	0	0	0	114.3	K252 S358 I359 L360	K252-S362 WeakPolarHBondContact CE-OG 3.3Å; K252-S362 PolarHBondContact NZ-O 3.23Å; K252-S362 PolarHBondContact NZ-OG 2.92Å; S358-S362 PolarHBondContact O-N 3.22Å; I359-S362 WeakPolarHBondContact O-CB 3.08Å; I359-S362 PolarHBondContact O-N 3.39Å; I359-S362 PolarHBondContact O-OG 2.65Å; L360-S362 PolarHBondContact O-N 3.33Å
363	L	77.9	Confident	77.7	Confident	9 Å²	9	61 Å²	61	5%	0.047	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-28.1	176.7	-77.5	177.2	0	0	0	113.3	K252 I256 L360 A361 A365 G366 V367 L369 L374	K252-L363 HydrophobicContact CD-CD2 4.47Å; I256-L363 HydrophobicContact CB-CD1 4.19Å; I256-L363 HydrophobicContact CD1-CD1 3.53Å; I256-L363 HydrophobicContact CD1-CD2 3.79Å; I256-L363 HydrophobicContact CD1-CG 3.64Å; I256-L363 HydrophobicContact CG1-CD1 4.43Å; I256-L363 HydrophobicContact CG2-CD1 3.71Å; L360-L363 WeakPolarHBondContact O-CB 3.39Å; L360-L363 PolarHBondContact O-N 3.19Å; A361-L363 PolarHBondContact O-N 3.01Å; L363-A365 PolarHBondContact O-N 3.41Å; L363-G366 PolarHBondContact O-N 2.93Å; L363-V367 HydrophobicContact CD2-CG2 4.47Å; L363-V367 PolarHBondContact O-N 3.45Å; L363-L369 HydrophobicContact CB-CD2 4.23Å; L363-L369 HydrophobicContact CD1-CD2 4.34Å; L363-L374 HydrophobicContact CD1-CD1 3.81Å
364	E	63.7	Low	76.8	Confident	104 Å²	104	59.3 Å²	59.3	49%	0.486	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-16.2	-173.9	-73.8	178.9	169.5	0	0	114.4	L360 G366 L369 Q376	L360-E364 PolarHBondContact O-N 3.22Å; E364-G366 PolarHBondContact O-N 3.03Å; E364-G366 VanDerWaalsContact O-N 3.1Å; E364-L369 HydrophobicContact CG-CD1 4.21Å; E364-Q376 PolarHBondContact OE1-NE2 2.83Å
365	A	60.6	Low	75.5	Confident	105 Å²	105	59 Å²	59	87%	0.868	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-0.2	179	0	0	0	0	0	115.1	L363	L363-A365 PolarHBondContact O-N 3.41Å
366	G	58.9	Low	74.2	Confident	75 Å²	75	63 Å²	63	77%	0.773	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	178.7	10.7	176.3	0	0	0	0	0	117.8	L363 E364	L363-G366 PolarHBondContact O-N 2.93Å; E364-G366 PolarHBondContact O-N 3.03Å; E364-G366 VanDerWaalsContact O-N 3.1Å
367	V	67.3	Low	73.3	Confident	54 Å²	54	68.2 Å²	68.2	33%	0.327	39%	0.393	S	S	.	.			trans	-125.7	130.8	-173.1	-172.6	0	0	0	0	111.1	L363 L369 L372	L363-V367 HydrophobicContact CD2-CG2 4.47Å; L363-V367 PolarHBondContact O-N 3.45Å; V367-L369 PolarHBondContact O-N 2.96Å; V367-L372 HydrophobicContact CG1-CD1 3.42Å; V367-L372 VanDerWaalsContact CG1-CD1 3.42Å; V367-L372 HydrophobicContact CG1-CD2 4.27Å; V367-L372 HydrophobicContact CG1-CG 3.94Å
368	D	70.2	Confident	72.8	Confident	101 Å²	101	65.5 Å²	65.5	54%	0.54	39%	0.385	S	S	.	.			trans	-73.5	104.3	174	177.5	13	0	0	0	109.9	D370 S371 L372	D368-D370 VanDerWaalsContact C-N 3.26Å; D368-D370 PolarHBondContact O-N 3.12Å; D368-D370 PolarHBondContact OD1-N 3.43Å; D368-S371 WeakPolarHBondContact O-CB 3.47Å; D368-S371 PolarHBondContact O-N 3.47Å; D368-S371 PolarHBondContact O-OG 2.66Å; D368-L372 PolarHBondContact O-N 3.29Å
369	L	75.4	Confident	72.4	Confident	22 Å²	22	62.8 Å²	62.8	12%	0.115	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-34.3	-177.1	-65.2	178.4	0	0	0	112.6	L360 L363 E364 V367 S371 L372 N373 L374 Q376	L360-L369 HydrophobicContact CD2-CD2 4.49Å; L363-L369 HydrophobicContact CB-CD2 4.23Å; L363-L369 HydrophobicContact CD1-CD2 4.34Å; E364-L369 HydrophobicContact CG-CD1 4.21Å; V367-L369 PolarHBondContact O-N 2.96Å; L369-S371 VanDerWaalsContact C-N 3.32Å; L369-S371 PolarHBondContact O-N 2.91Å; L369-L372 PolarHBondContact O-N 3.42Å; L369-L372 VanDerWaalsContact O-N 3.11Å; L369-N373 PolarHBondContact O-N 3.38Å; L369-L374 HydrophobicContact CB-CB 4.3Å; L369-L374 HydrophobicContact CD2-CB 4.25Å; L369-L374 HydrophobicContact CD2-CD1 4.1Å; L369-L374 PolarHBondContact O-N 3.03Å; L369-Q376 HydrophobicContact CD1-CG 4.39Å
370	D	70.2	Confident	72.1	Confident	104 Å²	104	64.8 Å²	64.8	56%	0.556	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-66.2	-38.6	178.8	-73.3	-22.9	0	0	0	110.4	D368 L372 N373	D368-D370 VanDerWaalsContact C-N 3.26Å; D368-D370 PolarHBondContact O-N 3.12Å; D368-D370 PolarHBondContact OD1-N 3.43Å; D370-L372 PolarHBondContact O-N 3.12Å; D370-N373 PolarHBondContact O-N 3.24Å; D370-N373 VanDerWaalsContact O-N 3.07Å
371	S	67.4	Low	72.4	Confident	74 Å²	74	67.8 Å²	67.8	52%	0.517	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-64.2	-19.4	175.2	78.8	0	0	0	0	113.9	D368 L369	D368-S371 WeakPolarHBondContact O-CB 3.47Å; D368-S371 PolarHBondContact O-N 3.47Å; D368-S371 PolarHBondContact O-OG 2.66Å; L369-S371 VanDerWaalsContact C-N 3.32Å; L369-S371 PolarHBondContact O-N 2.91Å
372	L	65.3	Low	72.9	Confident	21 Å²	21	66.1 Å²	66.1	11%	0.11	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-99.3	5.5	177.1	-52.6	-171.1	0	0	0	113.2	S253 Q257 V367 D368 L369 D370 L374	S253-L372 WeakPolarHBondContact OG-CD1 3.32Å; Q257-L372 HydrophobicContact CG-CB 4.06Å; Q257-L372 HydrophobicContact CG-CD1 4.46Å; Q257-L372 HydrophobicContact CG-CD2 4.47Å; V367-L372 HydrophobicContact CG1-CD1 3.42Å; V367-L372 VanDerWaalsContact CG1-CD1 3.42Å; V367-L372 HydrophobicContact CG1-CD2 4.27Å; V367-L372 HydrophobicContact CG1-CG 3.94Å; D368-L372 PolarHBondContact O-N 3.29Å; L369-L372 PolarHBondContact O-N 3.42Å; L369-L372 VanDerWaalsContact O-N 3.11Å; D370-L372 PolarHBondContact O-N 3.12Å; L372-L374 HydrophobicContact CB-CB 4.42Å; L372-L374 HydrophobicContact CB-CD1 3.8Å; L372-L374 HydrophobicContact CB-CG 3.72Å; L372-L374 HydrophobicContact CD1-CD1 3.72Å; L372-L374 HydrophobicContact CG-CD1 4.42Å; L372-L374 PolarHBondContact O-N 3.17Å
373	N	69.3	Low	73.5	Confident	70 Å²	70	69.2 Å²	69.2	37%	0.374	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	27.2	-170.8	-59.3	-41.7	0	0	0	113.6	L369 D370 Y375	L369-N373 PolarHBondContact O-N 3.38Å; D370-N373 PolarHBondContact O-N 3.24Å; D370-N373 VanDerWaalsContact O-N 3.07Å; N373-Y375 PolarHBondContact O-N 2.94Å
374	L	71.9	Confident	74.3	Confident	3 Å²	3	71.2 Å²	71.2	2%	0.016	40%	0.402	C	S	.	.			trans	-95	84.2	-178.9	-64.8	178.6	0	0	0	110.6	I256 F260 L360 L363 L369 L372	I256-L374 HydrophobicContact CG2-CD1 3.87Å; I256-L374 HydrophobicContact CG2-CD2 4.33Å; F260-L374 HydrophobicContact CB-CD2 3.24Å; F260-L374 HydrophobicContact CD1-CD2 3.7Å; F260-L374 HydrophobicContact CD2-CD2 3.96Å; F260-L374 HydrophobicContact CG-CD2 3.37Å; L360-L374 HydrophobicContact CD2-CB 4.47Å; L360-L374 HydrophobicContact CD2-CD1 4.48Å; L363-L374 HydrophobicContact CD1-CD1 3.81Å; L369-L374 HydrophobicContact CB-CB 4.3Å; L369-L374 HydrophobicContact CD2-CB 4.25Å; L369-L374 HydrophobicContact CD2-CD1 4.1Å; L369-L374 PolarHBondContact O-N 3.03Å; L372-L374 HydrophobicContact CB-CB 4.42Å; L372-L374 HydrophobicContact CB-CD1 3.8Å; L372-L374 HydrophobicContact CB-CG 3.72Å; L372-L374 HydrophobicContact CD1-CD1 3.72Å; L372-L374 HydrophobicContact CG-CD1 4.42Å; L372-L374 PolarHBondContact O-N 3.17Å
375	Y	65.3	Low	75.9	Confident	125 Å²	125	68.5 Å²	68.5	49%	0.49	39%	0.393	S	S	.	.			trans	-79	127.6	176	-54.6	-66.2	0	0	0	111.5	N373 Y377	N373-Y375 PolarHBondContact O-N 2.94Å; Y375-Y377 PolarHBondContact O-N 2.8Å
376	Q	65.9	Low	77.6	Confident	128 Å²	128	67.4 Å²	67.4	60%	0.598	38%	0.378	S	S	*	.			trans	-69.2	79.4	168.1	-73.5	-176.1	19.9	0	0	109.8	L360 E364 L369	L360-Q376 HydrophobicContact CD1-CG 4.11Å; E364-Q376 PolarHBondContact OE1-NE2 2.83Å; L369-Q376 HydrophobicContact CD1-CG 4.39Å
377	Y	69.8	Low	79.5	Confident	116 Å²	116	64 Å²	64	46%	0.455	34%	0.341	S	S	.	.			trans	-136	114.3	-177.9	-179.8	-98.8	0	0	0	109.3	V337 Y375 P380	V337-Y377 HydrophobicContact CG2-CE1 3.94Å; Y375-Y377 PolarHBondContact O-N 2.8Å; Y377-P380 WeakPolarHBondContact OH-CD 3.5Å
378	T	77.9	Confident	80.9	Confident	64 Å²	64	61.7 Å²	61.7	39%	0.393	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-87.4	126.6	166.4	-53.5	0	0	0	0	107.9	V353 Y382	V353-T378 HydrophobicContact CG2-CG2 3.99Å; T378-Y382 HydrophobicContact CG2-CD1 4.05Å; T378-Y382 HydrophobicContact CG2-CG 4.23Å
379	P	82.3	Confident	82.1	Confident	6 Å²	6	59.4 Å²	59.4	4%	0.039	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-53.4	150.5	176.4	-26.8	35.2	0	0	0	112.5	L335 F349 Y382	L335-P379 HydrophobicContact CB-CB 4.11Å; L335-P379 HydrophobicContact CD1-CB 3.67Å; L335-P379 HydrophobicContact CD1-CG 4.37Å; F349-P379 HydrophobicContact CD1-CG 3.97Å; F349-P379 HydrophobicContact CE1-CB 4.18Å; F349-P379 HydrophobicContact CE1-CG 3.69Å; F349-P379 HydrophobicContact CZ-CG 4.27Å; P379-Y382 HydrophobicContact CB-CD2 4.21Å; P379-Y382 HydrophobicContact CG-CD2 4.21Å; P379-Y382 WeakPolarHBondContact O-CB 3.35Å
380	P	83	Confident	83.2	Confident	55 Å²	55	58.6 Å²	58.6	36%	0.357	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	149.4	175.3	31.2	-34.1	0	0	0	109.6	L335 Y377 Y382	L335-P380 VanDerWaalsContact O-CG 3.28Å; L335-P380 WeakPolarHBondContact O-CG 3.31Å; Y377-P380 WeakPolarHBondContact OH-CD 3.5Å; P380-Y382 PolarHBondContact O-N 3.13Å
381	N	90.6	Very high	84.5	Confident	76 Å²	76	55.6 Å²	55.6	41%	0.406	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	32.8	178.9	-47.7	-62.3	0	0	0	114.2	T327 L383 Y387	T327-N381 HydrophobicContact CG2-CB 4.27Å; N381-L383 PolarHBondContact O-N 3.02Å; N381-Y387 PolarHBondContact O-OH 3.5Å; N381-Y387 VanDerWaalsContact O-OH 3.13Å
382	Y	94.8	Very high	86	Confident	23 Å²	23	52.5 Å²	52.5	9%	0.09	27%	0.273	C	S	.	.			trans	-81.1	78.7	178.2	-159.6	-109.7	0	0	0	111.5	L335 R348 K350 W351 V353 T378 P379 P380 P385 Y387	L335-Y382 HydrophobicContact CD1-CD2 3.64Å; L335-Y382 HydrophobicContact CD1-CE2 4.24Å; R348-Y382 WeakPolarHBondContact O-CE2 3.28Å; R348-Y382 VanDerWaalsContact O-CZ 3.23Å; R348-Y382 PolarHBondContact O-OH 3.06Å; R348-Y382 VanDerWaalsContact O-OH 3.08Å; K350-Y382 PolarHBondContact N-OH 3.44Å; W351-Y382 WeakPolarHBondContact O-CE1 3.13Å; W351-Y382 PolarHBondContact O-OH 2.93Å; V353-Y382 HydrophobicContact CG2-CD1 3.74Å; V353-Y382 HydrophobicContact CG2-CE1 4.12Å; T378-Y382 HydrophobicContact CG2-CD1 4.05Å; T378-Y382 HydrophobicContact CG2-CG 4.23Å; P379-Y382 HydrophobicContact CB-CD2 4.21Å; P379-Y382 HydrophobicContact CG-CD2 4.21Å; P379-Y382 WeakPolarHBondContact O-CB 3.35Å; P380-Y382 PolarHBondContact O-N 3.13Å; Y382-P385 HydrophobicContact CD1-CG 4.39Å; Y382-P385 HydrophobicContact CE1-CB 3.75Å; Y382-P385 HydrophobicContact CE1-CG 3.83Å; Y382-P385 HydrophobicContact CE2-CB 4.1Å; Y382-P385 VanDerWaalsContact CZ-CB 3.49Å; Y382-P385 WeakPolarHBondContact OH-CB 3.25Å; Y382-Y387 AromaticContact CD2-CD2 3.52Å; Y382-Y387 HydrophobicContact CD2-CD2 3.52Å; Y382-Y387 AromaticContact CD2-CE2 3.49Å; Y382-Y387 HydrophobicContact CD2-CE2 3.49Å; Y382-Y387 VanDerWaalsContact CD2-CE2 3.49Å; Y382-Y387 AromaticContact CE2-CD2 3.37Å; Y382-Y387 HydrophobicContact CE2-CD2 3.37Å; Y382-Y387 AromaticContact CE2-CE2 3.77Å; Y382-Y387 HydrophobicContact CE2-CE2 3.77Å; Y382-Y387 HydrophobicContact CE2-CG 4.45Å; Y382-Y387 HydrophobicContact CG-CE2 4.1Å
383	L	95	Very high	87.6	Confident	119 Å²	119	54.4 Å²	54.4	62%	0.623	28%	0.281	S	S	*	.			trans	-103.1	-42.7	-170.6	-56.9	179.2	0	0	0	113.9	E324 N381 P385 Y387	E324-L383 HydrophobicContact CG-CD1 4.13Å; N381-L383 PolarHBondContact O-N 3.02Å; L383-P385 VanDerWaalsContact C-CD 3.47Å; L383-Y387 WeakPolarHBondContact CA-OH 3.2Å; L383-Y387 PolarHBondContact N-OH 2.67Å
384	T	96.4	Very high	89	Confident	50 Å²	50	52.8 Å²	52.8	31%	0.307	27%	0.272	S	S	.	.	S	Bend	trans	-128.7	60.3	-174.4	55.1	0	0	0	0	112.5	H320 P321 E324 Y387	H320-T384 PolarHBondContact CE1-O 3.22Å; H320-T384 VanDerWaalsContact CE1-O 3.26Å; H320-T384 PolarHBondContact ND1-O 3.06Å; H320-T384 PolarHBondContact ND1-OG1 3.2Å; P321-T384 HydrophobicContact CG-CG2 4.02Å; E324-T384 VanDerWaalsContact CD-OG1 3.3Å; E324-T384 WeakPolarHBondContact OE1-CB 3.31Å; E324-T384 VanDerWaalsContact OE1-CG2 3.22Å; E324-T384 WeakPolarHBondContact OE1-CG2 3.27Å; E324-T384 PolarHBondContact OE1-OG1 2.84Å; E324-T384 PolarHBondContact OE2-OG1 2.97Å; T384-Y387 PolarHBondContact N-OH 3.08Å
385	P	96.1	Very high	90.3	Very high	47 Å²	47	54.8 Å²	54.8	31%	0.305	29%	0.285	S	S	.	.	S	Bend	trans	-61.8	153.5	174.3	29.5	-35.9	0	0	0	112	Y382 L383 Y387	Y382-P385 HydrophobicContact CD1-CG 4.39Å; Y382-P385 HydrophobicContact CE1-CB 3.75Å; Y382-P385 HydrophobicContact CE1-CG 3.83Å; Y382-P385 HydrophobicContact CE2-CB 4.1Å; Y382-P385 VanDerWaalsContact CZ-CB 3.49Å; Y382-P385 WeakPolarHBondContact OH-CB 3.25Å; L383-P385 VanDerWaalsContact C-CD 3.47Å; P385-Y387 HydrophobicContact CB-CD2 4.16Å; P385-Y387 HydrophobicContact CB-CE2 4.24Å
386	P	97.1	Very high	91.8	Very high	83 Å²	83	54 Å²	54	54%	0.539	28%	0.282	S	S	.	.			cis	-79.8	145.4	3.8	32.2	-35.6	0	0	0	113.7	H320 K350	H320-P386 PolarHBondContact CE1-O 3.14Å; K350-P386 HydrophobicContact CB-CB 4.43Å
387	Y	97.6	Very high	93.3	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.008	26%	0.259	C	S	.	.			trans	-103.5	-14.8	175.4	-71.7	-88.8	0	0	0	113.7	H320 E324 V328 L335 F349 N381 Y382 L383 T384 P385	H320-Y387 AromaticContact CE1-CD1 3.21Å; H320-Y387 WeakPolarHBondContact CE1-CD1 3.46Å; H320-Y387 AromaticContact CE1-CE1 3.41Å; H320-Y387 VanDerWaalsContact CE1-CE1 3.41Å; H320-Y387 WeakPolarHBondContact CE1-CE1 3.08Å; H320-Y387 AromaticContact CE1-CG 3.75Å; H320-Y387 AromaticContact ND1-CD1 3.82Å; H320-Y387 AromaticContact ND1-CE1 3.52Å; H320-Y387 AromaticContact NE2-CD1 3.32Å; H320-Y387 VanDerWaalsContact NE2-CD1 3.32Å; H320-Y387 WeakPolarHBondContact NE2-CD1 3.39Å; H320-Y387 AromaticContact NE2-CE1 3.83Å; E324-Y387 WeakPolarHBondContact OE2-CE1 3.41Å; E324-Y387 PolarHBondContact OE2-OH 3.45Å; V328-Y387 HydrophobicContact CG1-CD1 3.63Å; V328-Y387 HydrophobicContact CG1-CE1 3.89Å; L335-Y387 HydrophobicContact CD1-CD1 4.22Å; L335-Y387 HydrophobicContact CD1-CD2 3.97Å; L335-Y387 HydrophobicContact CD1-CE2 4.31Å; L335-Y387 HydrophobicContact CD1-CG 3.9Å; L335-Y387 HydrophobicContact CD2-CD1 3.97Å; L335-Y387 HydrophobicContact CD2-CE1 3.96Å; L335-Y387 HydrophobicContact CD2-CG 4.48Å; L335-Y387 HydrophobicContact CG-CD1 4.35Å; L335-Y387 HydrophobicContact CG-CG 4.43Å; F349-Y387 PolarHBondContact O-N 3.27Å; N381-Y387 PolarHBondContact O-OH 3.5Å; N381-Y387 VanDerWaalsContact O-OH 3.13Å; Y382-Y387 AromaticContact CD2-CD2 3.52Å; Y382-Y387 HydrophobicContact CD2-CD2 3.52Å; Y382-Y387 AromaticContact CD2-CE2 3.49Å; Y382-Y387 HydrophobicContact CD2-CE2 3.49Å; Y382-Y387 VanDerWaalsContact CD2-CE2 3.49Å; Y382-Y387 AromaticContact CE2-CD2 3.37Å; Y382-Y387 HydrophobicContact CE2-CD2 3.37Å; Y382-Y387 AromaticContact CE2-CE2 3.77Å; Y382-Y387 HydrophobicContact CE2-CE2 3.77Å; Y382-Y387 HydrophobicContact CE2-CG 4.45Å; Y382-Y387 HydrophobicContact CG-CE2 4.1Å; L383-Y387 WeakPolarHBondContact CA-OH 3.2Å; L383-Y387 PolarHBondContact N-OH 2.67Å; T384-Y387 PolarHBondContact N-OH 3.08Å; P385-Y387 HydrophobicContact CB-CD2 4.16Å; P385-Y387 HydrophobicContact CB-CE2 4.24Å
388	L	97.9	Very high	94.6	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.031	27%	0.267	C	S	.	.			trans	-123.6	139.4	-178.9	-173.7	69	0	0	0	109.6	L334 L338 L341 A343 D346 F349 K350	L334-L388 HydrophobicContact CD2-CB 4.02Å; L334-L388 HydrophobicContact CD2-CD1 3.92Å; L338-L388 HydrophobicContact CD2-CD1 4.08Å; L338-L388 HydrophobicContact CD2-CD2 3.81Å; L341-L388 WeakPolarHBondContact O-CD1 3.41Å; A343-L388 HydrophobicContact CB-CD2 4.22Å; D346-L388 HydrophobicContact CB-CD2 3.34Å; F349-L388 HydrophobicContact CB-CB 3.65Å; F349-L388 HydrophobicContact CB-CD2 4.19Å; F349-L388 PolarHBondContact O-N 3.25Å; K350-L388 HydrophobicContact CG-CB 4.26Å
389	E	95.4	Very high	95.2	Very high	53 Å²	53	48.7 Å²	48.7	25%	0.248	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-133.9	160.2	172.1	65.4	172.3	151	0	0	111.1	R315 Q319 R342 A343 T391	R315-E389 IonicContact CZ-OE1 2.75Å; R315-E389 IonicContact NH1-OE1 2.89Å; R315-E389 PolarHBondContact NH1-OE1 2.52Å; Q319-E389 PolarHBondContact NE2-OE1 3.35Å; R342-E389 WeakPolarHBondContact CA-O 3.43Å; R342-E389 VanDerWaalsContact CB-O 3.24Å; R342-E389 WeakPolarHBondContact CB-O 3.46Å; A343-E389 PolarHBondContact N-O 2.88Å; E389-T391 WeakPolarHBondContact OE2-CB 3.4Å; E389-T391 PolarHBondContact OE2-OG1 3Å
390	V	98.3	Very high	95.7	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.03	27%	0.269	C	S	.	.			trans	-101.8	-4.3	179	75.5	0	0	0	0	113.3	F231 R232 D235 A280 F344 P392	F231-V390 HydrophobicContact CD1-CG2 4.28Å; R232-V390 HydrophobicContact CG-CG1 4.48Å; D235-V390 HydrophobicContact CB-CB 4.07Å; D235-V390 HydrophobicContact CB-CG1 3.45Å; D235-V390 VanDerWaalsContact CB-CG1 3.45Å; D235-V390 HydrophobicContact CB-CG2 4.42Å; A280-V390 HydrophobicContact CB-CG2 4.35Å; A280-V390 WeakPolarHBondContact CB-O 3.45Å; F344-V390 HydrophobicContact CB-CG2 4.34Å; F344-V390 HydrophobicContact CD1-CG2 3.67Å; F344-V390 HydrophobicContact CD2-CG2 3.46Å; F344-V390 VanDerWaalsContact CD2-CG2 3.46Å; F344-V390 HydrophobicContact CE1-CG2 3.68Å; F344-V390 HydrophobicContact CE2-CG2 3.47Å; F344-V390 VanDerWaalsContact CE2-CG2 3.47Å; F344-V390 HydrophobicContact CG-CG2 3.56Å; F344-V390 HydrophobicContact CZ-CG2 3.59Å; V390-P392 VanDerWaalsContact O-CD 3.31Å; V390-P392 WeakPolarHBondContact O-CD 3.18Å
391	T	98	Very high	96.1	Very high	41 Å²	41	52.4 Å²	52.4	25%	0.252	27%	0.268	S	S	.	.			trans	-52.1	115.9	-174.4	-54.5	0	0	0	0	109.7	R342 E389	R342-T391 VanDerWaalsContact CD-O 3.27Å; R342-T391 WeakPolarHBondContact CD-O 3.16Å; R342-T391 PolarHBondContact NH1-O 3.02Å; E389-T391 WeakPolarHBondContact OE2-CB 3.4Å; E389-T391 PolarHBondContact OE2-OG1 3Å
392	P	98.5	Very high	96.2	Very high	10 Å²	10	52.1 Å²	52.1	7%	0.065	26%	0.264	C	S	.	.			trans	-78.3	146.9	-172.6	29.8	-34.7	0	0	0	111.6	F231 A278 N279 V390 I394	F231-P392 HydrophobicContact CB-CG 3.91Å; F231-P392 HydrophobicContact CD1-CB 3.78Å; F231-P392 HydrophobicContact CD1-CG 3.83Å; F231-P392 HydrophobicContact CD2-CG 4.16Å; F231-P392 HydrophobicContact CE1-CB 3.91Å; F231-P392 HydrophobicContact CE1-CG 4.34Å; F231-P392 HydrophobicContact CG-CB 4.19Å; F231-P392 HydrophobicContact CG-CG 3.72Å; F231-P392 HydrophobicContact CZ-CB 4.42Å; A278-P392 HydrophobicContact CB-CB 3.89Å; A278-P392 HydrophobicContact CB-CG 4.19Å; N279-P392 CarbonylContact O-C 3.43Å; N279-P392 WeakPolarHBondContact O-CA 3.12Å; N279-P392 WeakPolarHBondContact O-CB 3.43Å; V390-P392 VanDerWaalsContact O-CD 3.31Å; V390-P392 WeakPolarHBondContact O-CD 3.18Å; P392-I394 HydrophobicContact CB-CG1 4.42Å; P392-I394 HydrophobicContact CG-CD1 4.3Å; P392-I394 HydrophobicContact CG-CG1 4.2Å
393	E	98.4	Very high	96.2	Very high	60 Å²	60	51.1 Å²	51.1	28%	0.28	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	130.5	158.6	-174.8	177.9	177.6	0	0	108.3	A278 N279 H305	A278-E393 WeakPolarHBondContact CA-O 3.41Å; N279-E393 PolarHBondContact N-O 2.97Å; N279-E393 PolarHBondContact O-N 2.82Å; H305-E393 WeakPolarHBondContact NE2-CB 3.43Å; H305-E393 IonicContact NE2-OE2 3.09Å
394	I	98.6	Very high	96.2	Very high	37 Å²	37	48 Å²	48	19%	0.19	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	124.4	-176.3	-53.5	178.1	0	0	0	110.5	Q224 L227 V277 A278 P392	Q224-I394 HydrophobicContact CB-CG2 4.47Å; Q224-I394 HydrophobicContact CG-CB 4.46Å; Q224-I394 HydrophobicContact CG-CD1 4.23Å; Q224-I394 HydrophobicContact CG-CG2 4.03Å; Q224-I394 WeakPolarHBondContact O-CD1 3.21Å; L227-I394 HydrophobicContact CB-CD1 3.9Å; V277-I394 CarbonylContact O-C 3.56Å; V277-I394 VanDerWaalsContact O-CA 3.25Å; V277-I394 WeakPolarHBondContact O-CA 3.35Å; A278-I394 HydrophobicContact CB-CG1 4.03Å; P392-I394 HydrophobicContact CB-CG1 4.42Å; P392-I394 HydrophobicContact CG-CD1 4.3Å; P392-I394 HydrophobicContact CG-CG1 4.2Å
395	T	98.6	Very high	96.3	Very high	45 Å²	45	45.6 Å²	45.6	28%	0.276	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	134.3	174.1	-51.6	0	0	0	0	109.9	H276 V277 L301	H276-T395 CarbonylContact C-O 3.6Å; H276-T395 WeakPolarHBondContact CA-O 3.37Å; V277-T395 PolarHBondContact N-O 2.85Å; V277-T395 PolarHBondContact O-N 3.19Å; L301-T395 WeakPolarHBondContact O-CB 3.28Å; L301-T395 PolarHBondContact O-OG1 3.09Å
396	Y	98.4	Very high	96.4	Very high	107 Å²	107	43.4 Å²	43.4	42%	0.42	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	133.7	169.1	169.7	-108.5	0	0	0	110.8	D273 I275 H276 K398	D273-Y396 PolarHBondContact O-OH 3.04Å; I275-Y396 WeakPolarHBondContact O-CA 3.28Å; H276-Y396 AromaticContact CD2-CD2 3.66Å; H276-Y396 AromaticContact CE1-CD2 3.57Å; H276-Y396 AromaticContact CE1-CE2 3.82Å; H276-Y396 AromaticContact NE2-CD2 3.27Å; H276-Y396 VanDerWaalsContact NE2-CD2 3.27Å; H276-Y396 WeakPolarHBondContact NE2-CD2 3.49Å; H276-Y396 AromaticContact NE2-CE2 3.87Å; Y396-K398 HydrophobicContact CE1-CB 4.08Å
397	H	97.5	Very high	96.5	Very high	27 Å²	27	39.4 Å²	39.4	13%	0.125	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	120.1	172.1	179	78.7	0	0	0	110.7	G274 I275 L287 L301 D403	G274-H397 CarbonylContact C-O 3.54Å; G274-H397 VanDerWaalsContact CA-O 3.23Å; G274-H397 WeakPolarHBondContact CA-O 3.12Å; I275-H397 PolarHBondContact N-O 2.66Å; I275-H397 PolarHBondContact O-N 2.89Å; L287-H397 VanDerWaalsContact CD2-NE2 3.31Å; L287-H397 WeakPolarHBondContact CD2-NE2 3.45Å; L301-H397 HydrophobicContact CD1-CB 4.24Å; L301-H397 HydrophobicContact CD2-CB 3.89Å; H397-D403 IonicContact CD2-OD2 3.42Å; H397-D403 IonicContact CE1-OD2 3.76Å; H397-D403 IonicContact NE2-OD1 2.65Å; H397-D403 IonicContact NE2-OD2 2.79Å; H397-D403 PolarHBondContact NE2-OD2 3.47Å
398	K	95.5	Very high	96.5	Very high	145 Å²	145	39.3 Å²	39.3	63%	0.63	19%	0.185	S	C	*	.			trans	-73.9	126.5	173.5	-174.7	173	-176.8	172.9	0	110.2	Y396 R400	Y396-K398 HydrophobicContact CE1-CB 4.08Å; K398-R400 WeakPolarHBondContact O-CG 3.5Å
399	L	91.7	Very high	96.6	Very high	26 Å²	26	39 Å²	39	14%	0.136	18%	0.183	C	C	.	.			trans	-61	137.2	-179.9	-73.7	174	0	0	0	112.4	A100 I275 L517	A100-L399 HydrophobicContact CB-CD1 4.37Å; I275-L399 HydrophobicContact CD1-CD2 3.73Å; I275-L399 HydrophobicContact CG1-CD2 3.82Å; I275-L399 HydrophobicContact CG1-CG 4.38Å; L399-L517 HydrophobicContact CD2-CD1 3.82Å; L399-L517 HydrophobicContact CD2-CD2 4.38Å
400	R	92.3	Very high	96.7	Very high	88 Å²	88	36.5 Å²	36.5	33%	0.332	17%	0.172	S	C	.	.			trans	-128.8	156.2	178.3	-48.8	170.6	-60.9	-179.6	2.5	110.5	K398 Q402 D403	K398-R400 WeakPolarHBondContact O-CG 3.5Å; R400-Q402 VanDerWaalsContact CB-CD 3.47Å; R400-Q402 HydrophobicContact CB-CG 4.15Å; R400-Q402 VanDerWaalsContact CB-OE1 3.3Å; R400-Q402 PolarHBondContact O-N 2.94Å; R400-Q402 VanDerWaalsContact O-N 3.09Å; R400-D403 WeakPolarHBondContact CB-OD2 3.43Å; R400-D403 IonicContact CZ-OD1 2.74Å; R400-D403 PolarHBondContact N-OD2 2.92Å; R400-D403 IonicContact NE-OD1 3.86Å; R400-D403 PolarHBondContact NE-OD1 3.06Å; R400-D403 VanDerWaalsContact NE-OD1 3.12Å; R400-D403 IonicContact NE-OD2 3.4Å; R400-D403 PolarHBondContact NE-OD2 2.96Å; R400-D403 IonicContact NH2-OD1 3.67Å; R400-D403 PolarHBondContact NH2-OD1 3.42Å; R400-D403 WeakPolarHBondContact O-CB 3.19Å; R400-D403 PolarHBondContact O-N 2.67Å
401	P	90.9	Very high	96.7	Very high	50 Å²	50	37.5 Å²	37.5	33%	0.325	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.4	-178.9	-26.9	35.3	0	0	0	115.4	D403 R404 A522	P401-D403 VanDerWaalsContact C-N 3.34Å; P401-R404 PolarHBondContact O-NH1 2.88Å; P401-A522 HydrophobicContact CG-CB 4.02Å; P401-A522 WeakPolarHBondContact CG-O 3.47Å
402	Q	93.3	Very high	96.6	Very high	71 Å²	71	35.7 Å²	35.7	33%	0.332	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-15.7	177.6	59.4	-94	38.8	0	0	113.9	V289 Q290 R400 R404	V289-Q402 HydrophobicContact CG1-CB 3.78Å; V289-Q402 HydrophobicContact CG1-CG 3.47Å; V289-Q402 VanDerWaalsContact CG1-CG 3.47Å; Q290-Q402 PolarHBondContact N-O 3.43Å; Q290-Q402 WeakPolarHBondContact O-CB 3.35Å; R400-Q402 VanDerWaalsContact CB-CD 3.47Å; R400-Q402 HydrophobicContact CB-CG 4.15Å; R400-Q402 VanDerWaalsContact CB-OE1 3.3Å; R400-Q402 PolarHBondContact O-N 2.94Å; R400-Q402 VanDerWaalsContact O-N 3.09Å; Q402-R404 PolarHBondContact O-N 3.48Å
403	D	94.9	Very high	96.5	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	120.5	-178.2	-54.7	-26.7	0	0	0	108.5	L287 V289 H397 R400 P401 L517	L287-D403 HydrophobicContact CD1-CB 4.27Å; L287-D403 HydrophobicContact CD2-CB 4.16Å; V289-D403 WeakPolarHBondContact CG2-OD1 3.34Å; H397-D403 IonicContact CD2-OD2 3.42Å; H397-D403 IonicContact CE1-OD2 3.76Å; H397-D403 IonicContact NE2-OD1 2.65Å; H397-D403 IonicContact NE2-OD2 2.79Å; H397-D403 PolarHBondContact NE2-OD2 3.47Å; R400-D403 WeakPolarHBondContact CB-OD2 3.43Å; R400-D403 IonicContact CZ-OD1 2.74Å; R400-D403 PolarHBondContact N-OD2 2.92Å; R400-D403 IonicContact NE-OD1 3.86Å; R400-D403 PolarHBondContact NE-OD1 3.06Å; R400-D403 VanDerWaalsContact NE-OD1 3.12Å; R400-D403 IonicContact NE-OD2 3.4Å; R400-D403 PolarHBondContact NE-OD2 2.96Å; R400-D403 IonicContact NH2-OD1 3.67Å; R400-D403 PolarHBondContact NH2-OD1 3.42Å; R400-D403 WeakPolarHBondContact O-CB 3.19Å; R400-D403 PolarHBondContact O-N 2.67Å; P401-D403 VanDerWaalsContact C-N 3.34Å; D403-L517 HydrophobicContact CB-CD1 4.13Å
404	R	95.1	Very high	96.5	Very high	54 Å²	54	33 Å²	33	20%	0.204	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-42.2	-170.4	-58.8	-53.3	-161.7	-176.8	2.2	113.6	G288 Q290 W296 P401 Q402 L430 L517	G288-R404 PolarHBondContact O-N 3.35Å; Q290-R404 HydrophobicContact CB-CG 3.8Å; Q290-R404 VanDerWaalsContact OE1-NE 3.08Å; W296-R404 HydrophobicContact CH2-CB 3.89Å; W296-R404 HydrophobicContact CH2-CG 3.66Å; W296-R404 HydrophobicContact CZ3-CB 3.74Å; W296-R404 HydrophobicContact CZ3-CG 3.59Å; P401-R404 PolarHBondContact O-NH1 2.88Å; Q402-R404 PolarHBondContact O-N 3.48Å; R404-L430 HydrophobicContact CB-CD2 4.32Å; R404-L517 PolarHBondContact O-N 3.28Å
405	F	97.8	Very high	96.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	158.5	-178.1	58.5	-97.1	0	0	0	111.5	L287 G288 W296 I407 V423 V426 L430 V514 V515 Y516	L287-F405 WeakPolarHBondContact CD1-O 3.42Å; G288-F405 PolarHBondContact N-O 3.4Å; G288-F405 PolarHBondContact O-N 3Å; W296-F405 AromaticContact CE3-CE1 3.87Å; W296-F405 HydrophobicContact CE3-CE1 3.87Å; W296-F405 HydrophobicContact CE3-CZ 4.23Å; W296-F405 HydrophobicContact CH2-CD1 4.32Å; W296-F405 AromaticContact CH2-CE1 3.74Å; W296-F405 HydrophobicContact CH2-CE1 3.74Å; W296-F405 HydrophobicContact CZ3-CD1 4.06Å; W296-F405 AromaticContact CZ3-CE1 3.35Å; W296-F405 HydrophobicContact CZ3-CE1 3.35Å; W296-F405 HydrophobicContact CZ3-CZ 4.14Å; F405-I407 HydrophobicContact CD2-CD1 4.32Å; F405-I407 HydrophobicContact CD2-CG1 3.85Å; F405-I407 HydrophobicContact CE2-CD1 3.8Å; F405-I407 HydrophobicContact CE2-CG1 3.86Å; F405-V423 HydrophobicContact CE2-CG1 4.38Å; F405-V423 HydrophobicContact CE2-CG2 4.26Å; F405-V423 HydrophobicContact CZ-CB 4.49Å; F405-V423 HydrophobicContact CZ-CG1 4.01Å; F405-V423 WeakPolarHBondContact CZ-O 3.42Å; F405-V426 HydrophobicContact CD1-CG1 3.87Å; F405-V426 HydrophobicContact CD2-CB 4.31Å; F405-V426 HydrophobicContact CD2-CG1 3.65Å; F405-V426 HydrophobicContact CE1-CB 4.2Å; F405-V426 HydrophobicContact CE1-CG1 3.7Å; F405-V426 HydrophobicContact CE2-CB 3.67Å; F405-V426 HydrophobicContact CE2-CG1 3.49Å; F405-V426 VanDerWaalsContact CE2-CG1 3.49Å; F405-V426 HydrophobicContact CE2-CG2 4.48Å; F405-V426 HydrophobicContact CG-CG1 3.85Å; F405-V426 HydrophobicContact CZ-CB 3.61Å; F405-V426 HydrophobicContact CZ-CG1 3.52Å; F405-L430 HydrophobicContact CD1-CD2 4.1Å; F405-V514 HydrophobicContact CB-CG1 4.31Å; F405-V514 HydrophobicContact CD2-CG1 4.37Å; F405-V515 CarbonylContact C-O 3.52Å; F405-V515 WeakPolarHBondContact CA-O 3.27Å; F405-V515 VanDerWaalsContact CB-O 3.26Å; F405-V515 WeakPolarHBondContact CB-O 3.32Å; F405-Y516 HydrophobicContact CB-CD1 4.19Å
406	L	98.7	Very high	96	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	132.5	172.4	177.6	68.6	0	0	0	108.4	A268 I275 A285 L287 L301 L408 V514 V515	A268-L406 HydrophobicContact CB-CD2 3.67Å; I275-L406 HydrophobicContact CG2-CD2 4.09Å; A285-L406 HydrophobicContact CB-CD1 4.28Å; L287-L406 HydrophobicContact CB-CD1 4.48Å; L301-L406 HydrophobicContact CD1-CD1 3.84Å; L406-L408 HydrophobicContact CD2-CD1 3.84Å; L406-L408 HydrophobicContact CG-CD1 3.97Å; L406-V514 CarbonylContact O-C 3.48Å; L406-V514 WeakPolarHBondContact O-CA 3.45Å; L406-V515 HydrophobicContact CB-CB 4.3Å; L406-V515 PolarHBondContact N-O 3.47Å; L406-V515 PolarHBondContact O-N 3.2Å
407	I	98.8	Very high	95.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.2	172.3	-53.5	174.3	0	0	0	107.4	A285 V286 F405 L413 W414 A422 V423 V426 L474 V512 T513 V514	A285-I407 CarbonylContact C-O 3.6Å; A285-I407 VanDerWaalsContact CA-O 3.24Å; A285-I407 WeakPolarHBondContact CA-O 3.45Å; V286-I407 PolarHBondContact N-O 2.99Å; V286-I407 PolarHBondContact O-N 2.96Å; F405-I407 HydrophobicContact CD2-CD1 4.32Å; F405-I407 HydrophobicContact CD2-CG1 3.85Å; F405-I407 HydrophobicContact CE2-CD1 3.8Å; F405-I407 HydrophobicContact CE2-CG1 3.86Å; I407-L413 HydrophobicContact CG2-CD2 4.32Å; I407-W414 HydrophobicContact CB-CH2 4.27Å; I407-W414 HydrophobicContact CG2-CH2 3.89Å; I407-W414 HydrophobicContact CG2-CZ2 3.98Å; I407-A422 HydrophobicContact CD1-CB 4.17Å; I407-V423 HydrophobicContact CD1-CG2 4.12Å; I407-V426 HydrophobicContact CD1-CB 4.28Å; I407-V426 HydrophobicContact CD1-CG2 3.72Å; I407-V426 HydrophobicContact CG1-CG2 4.34Å; I407-L474 HydrophobicContact CD1-CD1 4.31Å; I407-L474 HydrophobicContact CG2-CD1 4.21Å; I407-V512 HydrophobicContact CG2-CG1 4.11Å; I407-T513 WeakPolarHBondContact CA-O 3.3Å; I407-V514 HydrophobicContact CG1-CG2 4.41Å
408	L	98.9	Very high	95.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134	162.6	-61.1	91.7	0	0	0	107.9	F132 V134 C266 A268 A285 L406 V512 T513 V515	F132-L408 HydrophobicContact CB-CD1 4.17Å; F132-L408 HydrophobicContact CB-CD2 4.38Å; V134-L408 HydrophobicContact CG1-CB 3.88Å; V134-L408 HydrophobicContact CG2-CB 4Å; C266-L408 WeakPolarHBondContact O-CD2 3.44Å; A268-L408 HydrophobicContact CB-CD1 4.45Å; A268-L408 HydrophobicContact CB-CD2 4.02Å; A285-L408 HydrophobicContact CB-CG 4.34Å; L406-L408 HydrophobicContact CD2-CD1 3.84Å; L406-L408 HydrophobicContact CG-CD1 3.97Å; L408-V512 CarbonylContact O-C 3.47Å; L408-V512 WeakPolarHBondContact O-CA 3.42Å; L408-T513 PolarHBondContact N-O 3.19Å; L408-T513 PolarHBondContact O-N 2.62Å; L408-V515 HydrophobicContact CD1-CG2 4.13Å
409	G	98.6	Very high	95.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	154.9	175	0	0	0	0	0	113.1	R284 W414 T511	R284-G409 PolarHBondContact N-O 3.16Å; R284-G409 PolarHBondContact O-N 3.06Å; G409-W414 VanDerWaalsContact C-NE1 3.27Å; G409-W414 PolarHBondContact O-NE1 3.02Å; G409-T511 WeakPolarHBondContact CA-O 3.22Å
410	T	98.7	Very high	95.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.			trans	-75.6	165.1	168.3	53.7	0	0	0	0	110.5	D117 V134 D136 G412 L413 W414 T511	D117-T410 WeakPolarHBondContact OD2-CG2 3.4Å; D117-T410 PolarHBondContact OD2-OG1 2.94Å; V134-T410 HydrophobicContact CB-CG2 4.28Å; D136-T410 HydrophobicContact CB-CG2 3.71Å; T410-G412 PolarHBondContact O-N 3.07Å; T410-L413 WeakPolarHBondContact O-CB 3.45Å; T410-L413 PolarHBondContact O-N 3.25Å; T410-W414 PolarHBondContact O-N 2.9Å; T410-T511 PolarHBondContact N-O 3.35Å; T410-T511 VanDerWaalsContact N-O 3.12Å; T410-T511 PolarHBondContact OG1-N 3.18Å
411	D	96.9	Very high	95.7	Very high	25 Å²	25	32.8 Å²	32.8	13%	0.134	17%	0.166	C	C	.	.	H	α-helix	trans	-58.5	-30.3	-178.9	67.2	-19.6	0	0	0	112.4	L413 W414 D415	D411-L413 CarbonylContact O-C 3.5Å; D411-L413 PolarHBondContact O-N 2.89Å; D411-W414 CarbonylContact O-C 3.5Å; D411-W414 PolarHBondContact O-N 3.13Å; D411-D415 WeakPolarHBondContact O-CB 3.4Å; D411-D415 PolarHBondContact O-N 3.46Å
412	G	96.9	Very high	95.9	Very high	4 Å²	4	30.4 Å²	30.4	4%	0.041	15%	0.151	C	C	.	.	H	α-helix	trans	-53.9	-24.2	171.2	0	0	0	0	0	114.8	T410	T410-G412 PolarHBondContact O-N 3.07Å
413	L	97.1	Very high	96.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-83.9	-47.3	167.4	-179	71.8	0	0	0	112.2	I407 T410 D411 D415 E416 F417 L474 A478 I510 V512	I407-L413 HydrophobicContact CG2-CD2 4.32Å; T410-L413 WeakPolarHBondContact O-CB 3.45Å; T410-L413 PolarHBondContact O-N 3.25Å; D411-L413 CarbonylContact O-C 3.5Å; D411-L413 PolarHBondContact O-N 2.89Å; L413-D415 VanDerWaalsContact C-N 3.31Å; L413-D415 PolarHBondContact O-N 2.91Å; L413-E416 PolarHBondContact O-N 3.16Å; L413-F417 HydrophobicContact CD1-CD2 3.59Å; L413-F417 HydrophobicContact CD1-CE2 3.76Å; L413-F417 HydrophobicContact CG-CD2 4.17Å; L413-F417 PolarHBondContact O-N 2.89Å; L413-L474 HydrophobicContact CD1-CB 4.2Å; L413-A478 HydrophobicContact CD1-CB 4.48Å; L413-I510 HydrophobicContact CB-CG2 4.12Å; L413-I510 HydrophobicContact CD1-CG2 4.47Å; L413-V512 HydrophobicContact CB-CG2 4.23Å; L413-V512 HydrophobicContact CD1-CG2 3.94Å; L413-V512 HydrophobicContact CD2-CG1 4.06Å; L413-V512 HydrophobicContact CD2-CG2 3.8Å; L413-V512 HydrophobicContact CG-CG2 4.2Å
414	W	96.8	Very high	96	Very high	13 Å²	13	31.1 Å²	31.1	5%	0.049	15%	0.15	C	C	.	.	H	α-helix	trans	-77.5	-16.3	-168.8	-57.9	115.3	0	0	0	113.9	R284 V286 I407 G409 T410 D411 E416 A422	R284-W414 HydrophobicContact CB-CD2 4.18Å; R284-W414 HydrophobicContact CB-CG 4.12Å; R284-W414 HydrophobicContact CB-CZ2 4.32Å; R284-W414 PolarHBondContact O-NE1 2.88Å; V286-W414 HydrophobicContact CB-CH2 3.96Å; V286-W414 HydrophobicContact CG2-CH2 3.45Å; V286-W414 VanDerWaalsContact CG2-CH2 3.45Å; V286-W414 HydrophobicContact CG2-CZ2 3.93Å; V286-W414 HydrophobicContact CG2-CZ3 3.92Å; I407-W414 HydrophobicContact CB-CH2 4.27Å; I407-W414 HydrophobicContact CG2-CH2 3.89Å; I407-W414 HydrophobicContact CG2-CZ2 3.98Å; G409-W414 VanDerWaalsContact C-NE1 3.27Å; G409-W414 PolarHBondContact O-NE1 3.02Å; T410-W414 PolarHBondContact O-N 2.9Å; D411-W414 CarbonylContact O-C 3.5Å; D411-W414 PolarHBondContact O-N 3.13Å; W414-E416 VanDerWaalsContact C-N 3.32Å; W414-A422 HydrophobicContact CH2-CB 4.3Å; W414-A422 HydrophobicContact CZ3-CB 3.76Å
415	D	94.5	Very high	95.8	Very high	125 Å²	125	29 Å²	29	67%	0.668	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-28.7	168.7	-82.6	0.4	0	0	0	111.9	D411 L413	D411-D415 WeakPolarHBondContact O-CB 3.4Å; D411-D415 PolarHBondContact O-N 3.46Å; L413-D415 VanDerWaalsContact C-N 3.31Å; L413-D415 PolarHBondContact O-N 2.91Å
416	E	91.8	Very high	95.7	Very high	75 Å²	75	29 Å²	29	35%	0.35	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-18.2	178	-63.1	-63.8	154.2	0	0	112.9	L413 W414 A478 R491	L413-E416 PolarHBondContact O-N 3.16Å; W414-E416 VanDerWaalsContact C-N 3.32Å; E416-A478 HydrophobicContact CB-CB 3.97Å; E416-A478 HydrophobicContact CG-CB 4.19Å; E416-R491 IonicContact OE2-NH2 3.46Å
417	F	88.7	Confident	95.4	Very high	16 Å²	16	29 Å²	29	7%	0.07	14%	0.143	C	C	.	.			trans	-138.1	141	-176.1	-64.7	-61.2	0	0	0	115.1	L413 E421 A422 L425 L474 H477 A478	L413-F417 HydrophobicContact CD1-CD2 3.59Å; L413-F417 HydrophobicContact CD1-CE2 3.76Å; L413-F417 HydrophobicContact CG-CD2 4.17Å; L413-F417 PolarHBondContact O-N 2.89Å; F417-E421 HydrophobicContact CD1-CB 4.24Å; F417-A422 HydrophobicContact CB-CB 4.38Å; F417-L425 HydrophobicContact CD1-CD1 4.43Å; F417-L425 HydrophobicContact CE1-CD1 3.71Å; F417-L425 HydrophobicContact CZ-CD1 3.78Å; F417-L474 HydrophobicContact CE2-CD2 4.49Å; F417-L474 WeakPolarHBondContact CE2-O 3.45Å; F417-H477 HydrophobicContact CE1-CB 4.23Å; F417-H477 HydrophobicContact CZ-CB 3.57Å; F417-A478 HydrophobicContact CD2-CB 4.29Å; F417-A478 HydrophobicContact CE2-CB 3.54Å; F417-A478 VanDerWaalsContact CZ-CA 3.46Å; F417-A478 HydrophobicContact CZ-CB 4.06Å
418	S	94.8	Very high	94.8	Very high	44 Å²	44	30 Å²	30	31%	0.308	15%	0.147	S	C	.	.			trans	-67.1	155	156.2	64.2	0	0	0	0	111.8	E420 E421 A422	S418-E420 PolarHBondContact O-N 2.88Å; S418-E421 WeakPolarHBondContact CB-OE2 3.42Å; S418-E421 PolarHBondContact N-OE2 3.33Å; S418-E421 PolarHBondContact O-N 3.01Å; S418-E421 VanDerWaalsContact O-N 3.17Å; S418-E421 WeakPolarHBondContact OG-CB 3.35Å; S418-E421 WeakPolarHBondContact OG-CG 3.37Å; S418-E421 PolarHBondContact OG-N 2.78Å; S418-E421 PolarHBondContact OG-OE2 2.9Å; S418-A422 PolarHBondContact O-N 3.08Å; S418-A422 VanDerWaalsContact O-N 3.08Å
419	S	97.1	Very high	94.2	Very high	8 Å²	8	31 Å²	31	6%	0.056	15%	0.152	C	C	.	.	H	α-helix	trans	-56.8	-38.3	175.1	-67.8	0	0	0	0	112.2	R284 V286 A298 V423	R284-S419 PolarHBondContact NH1-OG 2.86Å; V286-S419 WeakPolarHBondContact CG2-OG 3.48Å; A298-S419 WeakPolarHBondContact CB-O 3.35Å; S419-V423 WeakPolarHBondContact O-CB 3.37Å; S419-V423 WeakPolarHBondContact O-CG2 3.35Å; S419-V423 PolarHBondContact O-N 2.98Å; S419-V423 VanDerWaalsContact O-N 3.08Å
420	E	95.9	Very high	93.6	Very high	114 Å²	114	34.3 Å²	34.3	53%	0.533	17%	0.17	S	C	.	.	H	α-helix	trans	-65	-42.6	176.9	-68.8	71.2	-160.7	0	0	112.3	A298 S418 R424	A298-E420 HydrophobicContact CB-CG 4.27Å; S418-E420 PolarHBondContact O-N 2.88Å; E420-R424 WeakPolarHBondContact O-CB 3.45Å; E420-R424 PolarHBondContact O-N 2.66Å
421	E	93.3	Very high	92.6	Very high	89 Å²	89	36.5 Å²	36.5	42%	0.416	19%	0.185	S	C	.	.	H	α-helix	trans	-66.3	-45.7	178.6	-75.8	164.7	141.6	0	0	111.9	F417 S418 R424 L425	F417-E421 HydrophobicContact CD1-CB 4.24Å; S418-E421 WeakPolarHBondContact CB-OE2 3.42Å; S418-E421 PolarHBondContact N-OE2 3.33Å; S418-E421 PolarHBondContact O-N 3.01Å; S418-E421 VanDerWaalsContact O-N 3.17Å; S418-E421 WeakPolarHBondContact OG-CB 3.35Å; S418-E421 WeakPolarHBondContact OG-CG 3.37Å; S418-E421 PolarHBondContact OG-N 2.78Å; S418-E421 PolarHBondContact OG-OE2 2.9Å; E421-R424 PolarHBondContact O-N 2.97Å; E421-L425 WeakPolarHBondContact O-CG 3.44Å; E421-L425 PolarHBondContact O-N 3.43Å
422	A	95.6	Very high	91	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-46.9	178	0	0	0	0	0	111.5	I407 W414 F417 S418 R424 L425 V426 L474	I407-A422 HydrophobicContact CD1-CB 4.17Å; W414-A422 HydrophobicContact CH2-CB 4.3Å; W414-A422 HydrophobicContact CZ3-CB 3.76Å; F417-A422 HydrophobicContact CB-CB 4.38Å; S418-A422 PolarHBondContact O-N 3.08Å; S418-A422 VanDerWaalsContact O-N 3.08Å; A422-R424 VanDerWaalsContact C-N 3.35Å; A422-R424 PolarHBondContact O-N 3.32Å; A422-L425 PolarHBondContact O-N 2.83Å; A422-V426 WeakPolarHBondContact O-CG2 3.11Å; A422-V426 PolarHBondContact O-N 3.29Å; A422-L474 HydrophobicContact CB-CD2 4.16Å
423	V	97.2	Very high	89	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-63	-41.4	176.8	164.9	0	0	0	0	111.4	V286 W296 A298 F405 I407 S419 V426 G427	V286-V423 HydrophobicContact CG1-CG2 3.65Å; W296-V423 HydrophobicContact CB-CG1 4.08Å; A298-V423 HydrophobicContact CB-CB 4.05Å; A298-V423 HydrophobicContact CB-CG1 4.48Å; A298-V423 HydrophobicContact CB-CG2 3.75Å; F405-V423 HydrophobicContact CE2-CG1 4.38Å; F405-V423 HydrophobicContact CE2-CG2 4.26Å; F405-V423 HydrophobicContact CZ-CB 4.49Å; F405-V423 HydrophobicContact CZ-CG1 4.01Å; F405-V423 WeakPolarHBondContact CZ-O 3.42Å; I407-V423 HydrophobicContact CD1-CG2 4.12Å; S419-V423 WeakPolarHBondContact O-CB 3.37Å; S419-V423 WeakPolarHBondContact O-CG2 3.35Å; S419-V423 PolarHBondContact O-N 2.98Å; S419-V423 VanDerWaalsContact O-N 3.08Å; V423-V426 PolarHBondContact O-N 3.26Å; V423-G427 PolarHBondContact O-N 3.37Å
424	R	92.8	Very high	86.8	Confident	86 Å²	86	44 Å²	44	33%	0.325	24%	0.237	S	C	.	.	H	α-helix	trans	-61.2	-46.1	176.4	-176.1	-174.5	60.8	69.3	7.9	111.4	E420 E421 A422 G427 E428	E420-R424 WeakPolarHBondContact O-CB 3.45Å; E420-R424 PolarHBondContact O-N 2.66Å; E421-R424 PolarHBondContact O-N 2.97Å; A422-R424 VanDerWaalsContact C-N 3.35Å; A422-R424 PolarHBondContact O-N 3.32Å; R424-G427 PolarHBondContact O-N 3.4Å; R424-E428 WeakPolarHBondContact CD-OE1 3.32Å; R424-E428 HydrophobicContact CG-CG 4.39Å; R424-E428 WeakPolarHBondContact CG-OE1 3.44Å; R424-E428 IonicContact CZ-OE1 3.81Å; R424-E428 VanDerWaalsContact NH1-CD 3.25Å; R424-E428 IonicContact NH1-OE1 3.99Å; R424-E428 PolarHBondContact NH1-OE1 2.92Å; R424-E428 IonicContact NH1-OE2 2.78Å; R424-E428 PolarHBondContact NH1-OE2 3.05Å; R424-E428 WeakPolarHBondContact O-CB 3.48Å; R424-E428 VanDerWaalsContact O-CG 3.31Å; R424-E428 WeakPolarHBondContact O-CG 3.33Å; R424-E428 PolarHBondContact O-N 3.43Å
425	L	91.8	Very high	84.6	Confident	9 Å²	9	46.6 Å²	46.6	5%	0.047	25%	0.252	C	S	.	.	H	α-helix	trans	-61.2	-46.3	178.8	-72.6	172.1	0	0	0	112	F417 E421 A422 G427 H429 L474 H477	F417-L425 HydrophobicContact CD1-CD1 4.43Å; F417-L425 HydrophobicContact CE1-CD1 3.71Å; F417-L425 HydrophobicContact CZ-CD1 3.78Å; E421-L425 WeakPolarHBondContact O-CG 3.44Å; E421-L425 PolarHBondContact O-N 3.43Å; A422-L425 PolarHBondContact O-N 2.83Å; L425-G427 VanDerWaalsContact C-N 3.34Å; L425-G427 PolarHBondContact O-N 3.33Å; L425-H429 VanDerWaalsContact O-CB 3.31Å; L425-H429 WeakPolarHBondContact O-CB 3.36Å; L425-H429 PolarHBondContact O-N 2.97Å; L425-L474 HydrophobicContact CB-CD2 4.02Å; L425-L474 HydrophobicContact CD1-CD2 4.17Å; L425-H477 HydrophobicContact CD1-CB 3.83Å
426	V	94.4	Very high	82.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.7	-37	176.7	176.9	0	0	0	0	111.7	F405 I407 A422 V423 H429 L430 A470 L474 V514	F405-V426 HydrophobicContact CD1-CG1 3.87Å; F405-V426 HydrophobicContact CD2-CB 4.31Å; F405-V426 HydrophobicContact CD2-CG1 3.65Å; F405-V426 HydrophobicContact CE1-CB 4.2Å; F405-V426 HydrophobicContact CE1-CG1 3.7Å; F405-V426 HydrophobicContact CE2-CB 3.67Å; F405-V426 HydrophobicContact CE2-CG1 3.49Å; F405-V426 VanDerWaalsContact CE2-CG1 3.49Å; F405-V426 HydrophobicContact CE2-CG2 4.48Å; F405-V426 HydrophobicContact CG-CG1 3.85Å; F405-V426 HydrophobicContact CZ-CB 3.61Å; F405-V426 HydrophobicContact CZ-CG1 3.52Å; I407-V426 HydrophobicContact CD1-CB 4.28Å; I407-V426 HydrophobicContact CD1-CG2 3.72Å; I407-V426 HydrophobicContact CG1-CG2 4.34Å; A422-V426 WeakPolarHBondContact O-CG2 3.11Å; A422-V426 PolarHBondContact O-N 3.29Å; V423-V426 PolarHBondContact O-N 3.26Å; V426-H429 WeakPolarHBondContact O-CB 3.45Å; V426-H429 PolarHBondContact O-N 3.2Å; V426-L430 WeakPolarHBondContact O-CB 3.49Å; V426-L430 PolarHBondContact O-N 3.18Å; V426-A470 HydrophobicContact CG1-CB 4.29Å; V426-A470 HydrophobicContact CG2-CB 4.46Å; V426-L474 HydrophobicContact CG2-CD1 3.54Å; V426-L474 HydrophobicContact CG2-CD2 3.97Å; V426-L474 HydrophobicContact CG2-CG 3.78Å; V426-V514 HydrophobicContact CG1-CG1 3.71Å; V426-V514 HydrophobicContact CG2-CG2 4.29Å
427	G	92.4	Very high	80	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.4	-43.1	177.7	0	0	0	0	0	113.8	W296 V423 R424 L425 H429 L430 S431	W296-G427 WeakPolarHBondContact CZ2-O 3.44Å; W296-G427 VanDerWaalsContact NE1-C 3.33Å; W296-G427 PolarHBondContact NE1-O 3.09Å; V423-G427 PolarHBondContact O-N 3.37Å; R424-G427 PolarHBondContact O-N 3.4Å; L425-G427 VanDerWaalsContact C-N 3.34Å; L425-G427 PolarHBondContact O-N 3.33Å; G427-H429 VanDerWaalsContact C-N 3.35Å; G427-L430 PolarHBondContact O-N 2.87Å; G427-S431 WeakPolarHBondContact O-CB 3.37Å; G427-S431 PolarHBondContact O-N 3.46Å; G427-S431 PolarHBondContact O-OG 2.76Å
428	E	86.3	Confident	78.2	Confident	20 Å²	20	51.6 Å²	51.6	9%	0.093	29%	0.286	C	S	.	.	H	α-helix	trans	-65	-38.3	172.7	-73.1	172.5	-170.4	0	0	111.3	R424 S431 G432 I433 L435	R424-E428 WeakPolarHBondContact CD-OE1 3.32Å; R424-E428 HydrophobicContact CG-CG 4.39Å; R424-E428 WeakPolarHBondContact CG-OE1 3.44Å; R424-E428 IonicContact CZ-OE1 3.81Å; R424-E428 VanDerWaalsContact NH1-CD 3.25Å; R424-E428 IonicContact NH1-OE1 3.99Å; R424-E428 PolarHBondContact NH1-OE1 2.92Å; R424-E428 IonicContact NH1-OE2 2.78Å; R424-E428 PolarHBondContact NH1-OE2 3.05Å; R424-E428 WeakPolarHBondContact O-CB 3.48Å; R424-E428 VanDerWaalsContact O-CG 3.31Å; R424-E428 WeakPolarHBondContact O-CG 3.33Å; R424-E428 PolarHBondContact O-N 3.43Å; E428-S431 PolarHBondContact O-OG 3.27Å; E428-G432 PolarHBondContact O-N 2.98Å; E428-I433 CarbonylContact O-C 3.5Å; E428-I433 PolarHBondContact O-N 3.27Å; E428-L435 HydrophobicContact CG-CD1 4.4Å
429	H	87.3	Confident	76.5	Confident	21 Å²	21	51.1 Å²	51.1	10%	0.097	28%	0.281	C	S	.	.	H	α-helix	trans	-62.2	-47.8	172.7	-179.3	-91.3	0	0	0	112.3	L425 V426 G427 G432 D467 H473	L425-H429 VanDerWaalsContact O-CB 3.31Å; L425-H429 WeakPolarHBondContact O-CB 3.36Å; L425-H429 PolarHBondContact O-N 2.97Å; V426-H429 WeakPolarHBondContact O-CB 3.45Å; V426-H429 PolarHBondContact O-N 3.2Å; G427-H429 VanDerWaalsContact C-N 3.35Å; H429-G432 PolarHBondContact O-N 3.45Å; H429-D467 PolarHBondContact NE2-O 3.15Å; H429-H473 AromaticContact CD2-CG 3.98Å
430	L	85.3	Confident	74.8	Confident	71 Å²	71	52.6 Å²	52.6	37%	0.372	29%	0.291	S	S	.	.	H	α-helix	trans	-67.1	-40.7	-178	177.6	59.5	0	0	0	113	W296 R404 F405 V426 G427 G432 Y516	W296-L430 HydrophobicContact CH2-CD2 4.18Å; R404-L430 HydrophobicContact CB-CD2 4.32Å; F405-L430 HydrophobicContact CD1-CD2 4.1Å; V426-L430 WeakPolarHBondContact O-CB 3.49Å; V426-L430 PolarHBondContact O-N 3.18Å; G427-L430 PolarHBondContact O-N 2.87Å; L430-G432 PolarHBondContact O-N 3.21Å; L430-Y516 HydrophobicContact CB-CE1 4.38Å; L430-Y516 HydrophobicContact CD1-CD1 3.96Å; L430-Y516 HydrophobicContact CD1-CE1 3.71Å; L430-Y516 HydrophobicContact CD2-CD1 4.14Å; L430-Y516 HydrophobicContact CD2-CE1 4.13Å; L430-Y516 HydrophobicContact CG-CE1 4.29Å
431	S	76.8	Confident	73.1	Confident	46 Å²	46	51.9 Å²	51.9	32%	0.322	30%	0.297	S	S	.	.	H	α-helix	trans	-72.9	-10.7	-179	54.4	0	0	0	0	113.1	G427 E428 I433	G427-S431 WeakPolarHBondContact O-CB 3.37Å; G427-S431 PolarHBondContact O-N 3.46Å; G427-S431 PolarHBondContact O-OG 2.76Å; E428-S431 PolarHBondContact O-OG 3.27Å; S431-I433 PolarHBondContact O-N 3.02Å; S431-I433 VanDerWaalsContact O-N 3.12Å; S431-I433 PolarHBondContact OG-N 2.7Å
432	G	64.5	Low	71.6	Confident	64 Å²	64	52 Å²	52	66%	0.66	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	8	-169.3	0	0	0	0	0	112.7	E428 H429 L430	E428-G432 PolarHBondContact O-N 2.98Å; H429-G432 PolarHBondContact O-N 3.45Å; L430-G432 PolarHBondContact O-N 3.21Å
433	I	53.8	Low	70	Confident	90 Å²	90	54.5 Å²	54.5	46%	0.462	32%	0.319	S	S	.	.			trans	-103.7	89.6	179.7	-59.9	168.5	0	0	0	105.9	E428 S431 L435	E428-I433 CarbonylContact O-C 3.5Å; E428-I433 PolarHBondContact O-N 3.27Å; S431-I433 PolarHBondContact O-N 3.02Å; S431-I433 VanDerWaalsContact O-N 3.12Å; S431-I433 PolarHBondContact OG-N 2.7Å; I433-L435 HydrophobicContact CG2-CB 4.39Å; I433-L435 HydrophobicContact CG2-CD2 3.7Å; I433-L435 HydrophobicContact CG2-CG 3.99Å; I433-L435 PolarHBondContact O-N 3Å
434	H	52.5	Low	68.4	Low	32 Å²	32	62.5 Å²	62.5	15%	0.148	35%	0.349	C	S	.	.	S	Bend	trans	-73.2	34.5	158.9	-79	35.4	0	0	0	111.8	R461 H473	H434-R461 WeakPolarHBondContact CB-O 3.15Å; H434-R461 PolarHBondContact CD2-O 3.23Å; H434-H473 AromaticContact NE2-CE1 3.66Å; H434-H473 AromaticContact NE2-NE2 3.99Å
435	L	49.6	Very low	67.5	Low	67 Å²	67	67.2 Å²	67.2	35%	0.351	37%	0.372	S	S	.	.			trans	45.4	91.5	-177.9	-72.8	166.1	0	0	0	116.7	E428 I433 A437	E428-L435 HydrophobicContact CG-CD1 4.4Å; I433-L435 HydrophobicContact CG2-CB 4.39Å; I433-L435 HydrophobicContact CG2-CD2 3.7Å; I433-L435 HydrophobicContact CG2-CG 3.99Å; I433-L435 PolarHBondContact O-N 3Å; L435-A437 HydrophobicContact CB-CB 4.03Å; L435-A437 HydrophobicContact CD2-CB 3.56Å; L435-A437 HydrophobicContact CG-CB 4.21Å; L435-A437 PolarHBondContact O-N 3.35Å
436	Q	42.1	Very low	66.9	Low	185 Å²	185	69.4 Å²	69.4	86%	0.864	38%	0.383	S	S	*	.			trans	-73.4	56	130.2	-66.2	-163.8	-3.7	0	0	110.5
437	A	47.6	Very low	66.5	Low	31 Å²	31	77.1 Å²	77.1	26%	0.256	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-63.3	134.8	172.6	0	0	0	0	0	109.3	L435 V439 R458	L435-A437 HydrophobicContact CB-CB 4.03Å; L435-A437 HydrophobicContact CD2-CB 3.56Å; L435-A437 HydrophobicContact CG-CB 4.21Å; L435-A437 PolarHBondContact O-N 3.35Å; A437-V439 PolarHBondContact O-N 3.46Å; A437-R458 PolarHBondContact O-NH1 3.02Å
438	P	51.3	Low	66	Low	105 Å²	105	84.6 Å²	84.6	68%	0.682	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-54.8	140.7	167.4	-20.9	31.2	0	0	0	109.8	S440	P438-S440 PolarHBondContact O-N 3.41Å; P438-S440 VanDerWaalsContact O-N 3.09Å
439	V	58.1	Low	65.6	Low	35 Å²	35	86.2 Å²	86.2	21%	0.212	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-55.7	119.5	172.4	-175.5	0	0	0	0	108	A437 E443 R444 M451 L454 R458	A437-V439 PolarHBondContact O-N 3.46Å; V439-E443 VanDerWaalsContact CG1-C 3.47Å; V439-E443 HydrophobicContact CG1-CB 3.38Å; V439-R444 HydrophobicContact CB-CG 4.04Å; V439-R444 HydrophobicContact CG1-CB 4.42Å; V439-R444 HydrophobicContact CG1-CG 3.69Å; V439-R444 PolarHBondContact O-NE 3.09Å; V439-R444 PolarHBondContact O-NH2 2.83Å; V439-M451 HydrophobicContact CG1-CE 4.32Å; V439-L454 HydrophobicContact CG1-CD2 4.41Å; V439-R458 VanDerWaalsContact CG2-NH1 3.32Å
440	S	63.3	Low	65.2	Low	38 Å²	38	90 Å²	90	27%	0.266	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-60.6	156.2	179.6	64.5	0	0	0	0	110.5	P438 S442 E443 R444	P438-S440 PolarHBondContact O-N 3.41Å; P438-S440 VanDerWaalsContact O-N 3.09Å; S440-S442 PolarHBondContact O-N 3.04Å; S440-S442 VanDerWaalsContact O-N 3.13Å; S440-S442 PolarHBondContact OG-OG 3.26Å; S440-S442 VanDerWaalsContact OG-OG 3.11Å; S440-E443 VanDerWaalsContact CB-OE2 3.26Å; S440-E443 WeakPolarHBondContact CB-OE2 3.33Å; S440-E443 PolarHBondContact N-OE2 3.37Å; S440-E443 CarbonylContact O-C 3.6Å; S440-E443 PolarHBondContact O-N 3.41Å; S440-E443 WeakPolarHBondContact OG-CB 3.19Å; S440-E443 WeakPolarHBondContact OG-CG 3.26Å; S440-E443 PolarHBondContact OG-N 2.82Å; S440-E443 PolarHBondContact OG-OE2 3.1Å; S440-R444 WeakPolarHBondContact O-CG 3.35Å; S440-R444 PolarHBondContact O-N 3.22Å
441	P	59.2	Low	65	Low	100 Å²	100	88.6 Å²	88.6	65%	0.649	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.8	-178.7	-24.2	33.8	0	0	0	114
442	S	61.9	Low	64.9	Low	91 Å²	91	92 Å²	92	64%	0.636	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-42.4	172.9	40.4	0	0	0	0	112.3	S440 R444 K445	S440-S442 PolarHBondContact O-N 3.04Å; S440-S442 VanDerWaalsContact O-N 3.13Å; S440-S442 PolarHBondContact OG-OG 3.26Å; S440-S442 VanDerWaalsContact OG-OG 3.11Å; S442-R444 VanDerWaalsContact C-N 3.29Å; S442-R444 PolarHBondContact O-N 3.45Å; S442-K445 PolarHBondContact O-N 2.72Å
443	E	61.5	Low	65.3	Low	52 Å²	52	93.8 Å²	93.8	24%	0.243	49%	0.49	C	S	.	.	G	3₁₀ helix	trans	-69.9	-24.4	176.3	-69.5	165.7	134.5	0	0	112.5	V439 S440 K445 L446 M451 L454 R458	V439-E443 VanDerWaalsContact CG1-C 3.47Å; V439-E443 HydrophobicContact CG1-CB 3.38Å; S440-E443 VanDerWaalsContact CB-OE2 3.26Å; S440-E443 WeakPolarHBondContact CB-OE2 3.33Å; S440-E443 PolarHBondContact N-OE2 3.37Å; S440-E443 CarbonylContact O-C 3.6Å; S440-E443 PolarHBondContact O-N 3.41Å; S440-E443 WeakPolarHBondContact OG-CB 3.19Å; S440-E443 WeakPolarHBondContact OG-CG 3.26Å; S440-E443 PolarHBondContact OG-N 2.82Å; S440-E443 PolarHBondContact OG-OE2 3.1Å; E443-K445 PolarHBondContact O-N 3.48Å; E443-L446 HydrophobicContact CB-CD1 3.99Å; E443-L446 HydrophobicContact CG-CD1 4.3Å; E443-L446 VanDerWaalsContact O-CB 3.31Å; E443-L446 WeakPolarHBondContact O-CB 3.47Å; E443-L446 WeakPolarHBondContact O-CD1 3.35Å; E443-L446 WeakPolarHBondContact O-CG 3.38Å; E443-L446 PolarHBondContact O-N 2.76Å; E443-L446 VanDerWaalsContact O-N 3.16Å; E443-M451 VanDerWaalsContact O-CE 3.27Å; E443-M451 WeakPolarHBondContact O-CE 3.4Å; E443-L454 HydrophobicContact CB-CD2 3.94Å; E443-L454 HydrophobicContact CG-CD2 4.08Å; E443-R458 VanDerWaalsContact CD-NH2 3.35Å; E443-R458 IonicContact OE1-NH2 3.79Å; E443-R458 PolarHBondContact OE1-NH2 3.11Å; E443-R458 IonicContact OE2-NH2 3.12Å; E443-R458 PolarHBondContact OE2-NH2 3.29Å
444	R	63.2	Low	66.2	Low	169 Å²	169	90.8 Å²	90.8	64%	0.638	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-65.7	-16.2	174.3	-72.3	178.8	-162.7	-172.2	0.7	113.3	V439 S440 S442	V439-R444 HydrophobicContact CB-CG 4.04Å; V439-R444 HydrophobicContact CG1-CB 4.42Å; V439-R444 HydrophobicContact CG1-CG 3.69Å; V439-R444 PolarHBondContact O-NE 3.09Å; V439-R444 PolarHBondContact O-NH2 2.83Å; S440-R444 WeakPolarHBondContact O-CG 3.35Å; S440-R444 PolarHBondContact O-N 3.22Å; S442-R444 VanDerWaalsContact C-N 3.29Å; S442-R444 PolarHBondContact O-N 3.45Å
445	K	75.4	Confident	67.1	Low	185 Å²	185	93.7 Å²	93.7	80%	0.804	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-92.9	4.1	177.3	-63.3	-177.4	179.9	179.8	0	113.2	S442 E443	S442-K445 PolarHBondContact O-N 2.72Å; E443-K445 PolarHBondContact O-N 3.48Å
446	L	79.2	Confident	67.9	Low	56 Å²	56	94.3 Å²	94.3	29%	0.293	49%	0.494	S	S	.	.			trans	-67.4	142.7	179.1	-68.7	171.1	0	0	0	111.3	E443 Q450 M451 L454	E443-L446 HydrophobicContact CB-CD1 3.99Å; E443-L446 HydrophobicContact CG-CD1 4.3Å; E443-L446 VanDerWaalsContact O-CB 3.31Å; E443-L446 WeakPolarHBondContact O-CB 3.47Å; E443-L446 WeakPolarHBondContact O-CD1 3.35Å; E443-L446 WeakPolarHBondContact O-CG 3.38Å; E443-L446 PolarHBondContact O-N 2.76Å; E443-L446 VanDerWaalsContact O-N 3.16Å; L446-Q450 HydrophobicContact CB-CB 3.95Å; L446-Q450 HydrophobicContact CD2-CB 4Å; L446-Q450 HydrophobicContact CG-CB 4.38Å; L446-M451 HydrophobicContact CB-CE 4.22Å; L446-L454 HydrophobicContact CD1-CB 4.41Å; L446-L454 HydrophobicContact CD1-CD2 3.76Å
447	K	85.3	Confident	68.9	Low	162 Å²	162	88.2 Å²	88.2	70%	0.704	46%	0.464	S	S	*	.			trans	-65.8	157	171.8	-67.8	-177.2	178.5	179.4	0	109.9	G449 Q450 M451	K447-G449 VanDerWaalsContact C-N 3.26Å; K447-G449 PolarHBondContact O-N 3.19Å; K447-G449 VanDerWaalsContact O-N 3.1Å; K447-Q450 VanDerWaalsContact N-OE1 3.16Å; K447-Q450 WeakPolarHBondContact O-CA 3.37Å; K447-Q450 WeakPolarHBondContact O-CB 3.44Å; K447-Q450 PolarHBondContact O-N 3.19Å; K447-M451 PolarHBondContact O-N 3.48Å
448	L	81.3	Confident	69.8	Low	156 Å²	156	88.6 Å²	88.6	82%	0.817	46%	0.459	S	S	*	.	H	α-helix	trans	-50.7	-41.4	-174.5	-165.6	73	0	0	0	113.8	M451 H452	L448-M451 PolarHBondContact O-N 2.9Å; L448-H452 PolarHBondContact O-N 3.31Å
449	G	79.5	Confident	70.2	Confident	55 Å²	55	93.1 Å²	93.1	57%	0.567	46%	0.463	S	S	*	.	H	α-helix	trans	-65.4	-40.6	176.4	0	0	0	0	0	113.8	K447 H452 E453	K447-G449 VanDerWaalsContact C-N 3.26Å; K447-G449 PolarHBondContact O-N 3.19Å; K447-G449 VanDerWaalsContact O-N 3.1Å; G449-H452 WeakPolarHBondContact O-CB 3.46Å; G449-H452 PolarHBondContact O-N 3.16Å; G449-E453 PolarHBondContact O-N 3.05Å; G449-E453 VanDerWaalsContact O-N 3.08Å
450	Q	78.8	Confident	70	Confident	99 Å²	99	94.6 Å²	94.6	46%	0.463	48%	0.479	S	S	.	.	H	α-helix	trans	-71.5	-33.5	176.8	-64.9	171.8	-38.7	0	0	111.8	L446 K447 E453 L454	L446-Q450 HydrophobicContact CB-CB 3.95Å; L446-Q450 HydrophobicContact CD2-CB 4Å; L446-Q450 HydrophobicContact CG-CB 4.38Å; K447-Q450 VanDerWaalsContact N-OE1 3.16Å; K447-Q450 WeakPolarHBondContact O-CA 3.37Å; K447-Q450 WeakPolarHBondContact O-CB 3.44Å; K447-Q450 PolarHBondContact O-N 3.19Å; Q450-E453 PolarHBondContact O-N 3.01Å; Q450-L454 WeakPolarHBondContact O-CB 3.42Å; Q450-L454 PolarHBondContact O-N 3.46Å
451	M	79.4	Confident	69.4	Low	42 Å²	42	97.9 Å²	97.9	21%	0.207	49%	0.485	C	S	.	.	H	α-helix	trans	-66	-40.3	172.6	-171	65	71.1	0	0	110.9	V439 E443 L446 K447 L448 L454 L455	V439-M451 HydrophobicContact CG1-CE 4.32Å; E443-M451 VanDerWaalsContact O-CE 3.27Å; E443-M451 WeakPolarHBondContact O-CE 3.4Å; L446-M451 HydrophobicContact CB-CE 4.22Å; K447-M451 PolarHBondContact O-N 3.48Å; L448-M451 PolarHBondContact O-N 2.9Å; M451-L454 PolarHBondContact O-N 3.24Å; M451-L454 HydrophobicContact SD-CD2 4.17Å; M451-L455 HydrophobicContact CG-CD1 4.13Å; M451-L455 HydrophobicContact CG-CG 4.45Å; M451-L455 WeakPolarHBondContact O-CB 3.43Å; M451-L455 WeakPolarHBondContact O-CG 3.38Å; M451-L455 PolarHBondContact O-N 3.05Å
452	H	75.5	Confident	68.8	Low	118 Å²	118	96 Å²	96	55%	0.546	48%	0.478	S	S	.	.	H	α-helix	trans	-61.3	-45.5	174.6	-175.5	62.7	0	0	0	111.7	L448 G449 L454 L455 L456	L448-H452 PolarHBondContact O-N 3.31Å; G449-H452 WeakPolarHBondContact O-CB 3.46Å; G449-H452 PolarHBondContact O-N 3.16Å; H452-L454 PolarHBondContact O-N 2.99Å; H452-L455 PolarHBondContact O-N 3.22Å; H452-L456 WeakPolarHBondContact O-CG 3.5Å; H452-L456 PolarHBondContact O-N 3.35Å
453	E	72.3	Confident	68.1	Low	102 Å²	102	94.5 Å²	94.5	48%	0.477	47%	0.467	S	S	.	.	H	α-helix	trans	-62.4	-42	176	-159	-169.4	147	0	0	112.2	G449 Q450 L455 L456 K457	G449-E453 PolarHBondContact O-N 3.05Å; G449-E453 VanDerWaalsContact O-N 3.08Å; Q450-E453 PolarHBondContact O-N 3.01Å; E453-L455 PolarHBondContact O-N 3.35Å; E453-L456 PolarHBondContact O-N 3.38Å; E453-K457 WeakPolarHBondContact O-CG 3.42Å; E453-K457 PolarHBondContact O-N 2.74Å; E453-K457 WeakPolarHBondContact OE1-CE 3.28Å; E453-K457 IonicContact OE1-NZ 2.91Å; E453-K457 PolarHBondContact OE1-NZ 3.5Å
454	L	74.1	Confident	67.7	Low	27 Å²	27	97.3 Å²	97.3	14%	0.141	49%	0.49	C	S	.	.	H	α-helix	trans	-61.8	-42.5	173.9	-179.3	67.2	0	0	0	111.9	V439 E443 L446 Q450 M451 H452 K457 R458	V439-L454 HydrophobicContact CG1-CD2 4.41Å; E443-L454 HydrophobicContact CB-CD2 3.94Å; E443-L454 HydrophobicContact CG-CD2 4.08Å; L446-L454 HydrophobicContact CD1-CB 4.41Å; L446-L454 HydrophobicContact CD1-CD2 3.76Å; Q450-L454 WeakPolarHBondContact O-CB 3.42Å; Q450-L454 PolarHBondContact O-N 3.46Å; M451-L454 PolarHBondContact O-N 3.24Å; M451-L454 HydrophobicContact SD-CD2 4.17Å; H452-L454 PolarHBondContact O-N 2.99Å; L454-K457 PolarHBondContact O-N 2.97Å; L454-R458 WeakPolarHBondContact O-CB 3.19Å; L454-R458 VanDerWaalsContact O-CG 3.26Å; L454-R458 WeakPolarHBondContact O-CG 3.04Å; L454-R458 PolarHBondContact O-N 3.14Å
455	L	71.1	Confident	67.4	Low	92 Å²	92	91.5 Å²	91.5	48%	0.482	48%	0.479	S	S	.	.	H	α-helix	trans	-69.3	-35	178.9	-71.7	171.9	0	0	0	112.2	M451 H452 E453 R458 R459	M451-L455 HydrophobicContact CG-CD1 4.13Å; M451-L455 HydrophobicContact CG-CG 4.45Å; M451-L455 WeakPolarHBondContact O-CB 3.43Å; M451-L455 WeakPolarHBondContact O-CG 3.38Å; M451-L455 PolarHBondContact O-N 3.05Å; H452-L455 PolarHBondContact O-N 3.22Å; E453-L455 PolarHBondContact O-N 3.35Å; L455-R458 PolarHBondContact O-N 3.36Å; L455-R459 WeakPolarHBondContact O-CB 3.36Å; L455-R459 PolarHBondContact O-N 3.26Å
456	L	66.6	Low	67.1	Low	81 Å²	81	86.2 Å²	86.2	42%	0.424	46%	0.459	S	S	.	.	H	α-helix	trans	-63.8	-47.7	171.6	-73.7	172.4	0	0	0	111.1	H452 E453 R458 R459 A460	H452-L456 WeakPolarHBondContact O-CG 3.5Å; H452-L456 PolarHBondContact O-N 3.35Å; E453-L456 PolarHBondContact O-N 3.38Å; L456-R458 VanDerWaalsContact C-N 3.27Å; L456-R458 PolarHBondContact O-N 3.07Å; L456-R459 PolarHBondContact O-N 3.26Å; L456-R459 VanDerWaalsContact O-N 3.16Å; L456-A460 PolarHBondContact O-N 3.07Å
457	K	62.6	Low	67.4	Low	56 Å²	56	83.7 Å²	83.7	24%	0.243	45%	0.445	C	S	.	.	H	α-helix	trans	-56.9	-39.6	173.6	-75.3	172.4	-174.8	170.4	0	112.2	E453 L454 R461 E486	E453-K457 WeakPolarHBondContact O-CG 3.42Å; E453-K457 PolarHBondContact O-N 2.74Å; E453-K457 WeakPolarHBondContact OE1-CE 3.28Å; E453-K457 IonicContact OE1-NZ 2.91Å; E453-K457 PolarHBondContact OE1-NZ 3.5Å; L454-K457 PolarHBondContact O-N 2.97Å; K457-R461 WeakPolarHBondContact O-CD 3.23Å; K457-R461 VanDerWaalsContact O-CG 3.24Å; K457-R461 WeakPolarHBondContact O-CG 3.4Å; K457-R461 PolarHBondContact O-N 3.37Å; K457-R461 PolarHBondContact O-NE 3.31Å; K457-E486 WeakPolarHBondContact CG-OE1 3.36Å
458	R	66.4	Low	67.5	Low	40 Å²	40	84.6 Å²	84.6	15%	0.151	45%	0.449	C	S	.	.	H	α-helix	trans	-72.9	-37.3	177.1	-73.4	175.8	-179.5	-148.1	-4.6	113	A437 V439 E443 L454 L455 L456 R461 A462	A437-R458 PolarHBondContact O-NH1 3.02Å; V439-R458 VanDerWaalsContact CG2-NH1 3.32Å; E443-R458 VanDerWaalsContact CD-NH2 3.35Å; E443-R458 IonicContact OE1-NH2 3.79Å; E443-R458 PolarHBondContact OE1-NH2 3.11Å; E443-R458 IonicContact OE2-NH2 3.12Å; E443-R458 PolarHBondContact OE2-NH2 3.29Å; L454-R458 WeakPolarHBondContact O-CB 3.19Å; L454-R458 VanDerWaalsContact O-CG 3.26Å; L454-R458 WeakPolarHBondContact O-CG 3.04Å; L454-R458 PolarHBondContact O-N 3.14Å; L455-R458 PolarHBondContact O-N 3.36Å; L456-R458 VanDerWaalsContact C-N 3.27Å; L456-R458 PolarHBondContact O-N 3.07Å; R458-R461 PolarHBondContact O-N 3.32Å; R458-R461 VanDerWaalsContact O-N 3.17Å; R458-A462 PolarHBondContact O-N 2.99Å
459	R	59.1	Low	68.2	Low	200 Å²	200	77.2 Å²	77.2	76%	0.755	41%	0.411	S	S	*	.	H	α-helix	trans	-65.4	-39.2	176.2	-175.4	180	179.8	-177.5	-0.1	111.7	L455 L456 R461 A462	L455-R459 WeakPolarHBondContact O-CB 3.36Å; L455-R459 PolarHBondContact O-N 3.26Å; L456-R459 PolarHBondContact O-N 3.26Å; L456-R459 VanDerWaalsContact O-N 3.16Å; R459-R461 PolarHBondContact O-N 3.47Å; R459-A462 PolarHBondContact O-N 3.5Å
460	A	54.1	Low	68.9	Low	66 Å²	66	74.6 Å²	74.6	55%	0.545	38%	0.384	S	S	.	.	H	α-helix	trans	-62	-29.7	173.6	0	0	0	0	0	112.4	L456	L456-A460 PolarHBondContact O-N 3.07Å
461	R	52.1	Low	69.8	Low	106 Å²	106	69.9 Å²	69.9	40%	0.4	36%	0.362	S	S	.	.	H	α-helix	trans	-82	-32.1	178.2	-65.9	167.8	-169.3	-168.5	-0.2	113.2	H434 K457 R458 R459 S463	H434-R461 WeakPolarHBondContact CB-O 3.15Å; H434-R461 PolarHBondContact CD2-O 3.23Å; K457-R461 WeakPolarHBondContact O-CD 3.23Å; K457-R461 VanDerWaalsContact O-CG 3.24Å; K457-R461 WeakPolarHBondContact O-CG 3.4Å; K457-R461 PolarHBondContact O-N 3.37Å; K457-R461 PolarHBondContact O-NE 3.31Å; R458-R461 PolarHBondContact O-N 3.32Å; R458-R461 VanDerWaalsContact O-N 3.17Å; R459-R461 PolarHBondContact O-N 3.47Å; R461-S463 PolarHBondContact O-N 2.8Å
462	A	45.9	Very low	70.6	Confident	60 Å²	60	67.9 Å²	67.9	50%	0.496	35%	0.352	S	S	.	.			trans	-72.7	16.7	-172.6	0	0	0	0	0	116.9	R458 R459	R458-A462 PolarHBondContact O-N 2.99Å; R459-A462 PolarHBondContact O-N 3.5Å
463	S	47.8	Very low	71.5	Confident	60 Å²	60	62.4 Å²	62.4	42%	0.42	33%	0.327	S	S	.	.	S	Bend	trans	-77.2	144.1	173.7	-155.8	0	0	0	0	110	R461 A465	R461-S463 PolarHBondContact O-N 2.8Å; S463-A465 PolarHBondContact O-N 3.26Å
464	P	51.9	Low	72.6	Confident	112 Å²	112	57.6 Å²	57.6	73%	0.727	30%	0.304	S	S	*	.			trans	-51.8	144.1	170.6	10.9	-17.9	0	0	0	110	L466	P464-L466 PolarHBondContact O-N 3.39Å
465	A	56.8	Low	73.7	Confident	47 Å²	47	56.3 Å²	56.3	39%	0.388	30%	0.297	S	S	.	.			trans	-46.3	110.3	-178.3	0	0	0	0	0	109.6	S463 D467	S463-A465 PolarHBondContact O-N 3.26Å; A465-D467 PolarHBondContact O-N 3.42Å; A465-D467 VanDerWaalsContact O-N 3.13Å
466	L	69.8	Low	74.8	Confident	74 Å²	74	52 Å²	52	39%	0.387	27%	0.274	S	S	.	.	S	Bend	trans	-61.9	-27.9	-169	-142.6	115.3	0	0	0	111.1	R82 P464	R82-L466 PolarHBondContact NH2-O 3.46Å; P464-L466 PolarHBondContact O-N 3.39Å
467	D	84.9	Confident	76	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.011	26%	0.26	C	S	.	.			trans	-122.2	141.4	-178.5	-58.9	-59.5	0	0	0	111.1	R82 H429 A465 T472 H473 R476	R82-D467 IonicContact CZ-OD1 3.66Å; R82-D467 IonicContact NE-OD1 3.46Å; R82-D467 IonicContact NH2-OD1 3.84Å; R82-D467 PolarHBondContact NH2-OD1 3.49Å; H429-D467 PolarHBondContact NE2-O 3.15Å; A465-D467 PolarHBondContact O-N 3.42Å; A465-D467 VanDerWaalsContact O-N 3.13Å; D467-T472 HydrophobicContact CB-CG2 4.37Å; D467-H473 HydrophobicContact CB-CB 4.18Å; D467-H473 IonicContact OD2-ND1 3.68Å; D467-R476 IonicContact OD1-CZ 3.53Å; D467-R476 IonicContact OD1-NE 3.45Å; D467-R476 IonicContact OD1-NH2 2.81Å; D467-R476 PolarHBondContact OD1-NH2 3.42Å; D467-R476 IonicContact OD2-CZ 3.6Å; D467-R476 IonicContact OD2-NE 3.53Å; D467-R476 PolarHBondContact OD2-NE 2.92Å; D467-R476 IonicContact OD2-NH2 2.82Å
468	K	88.5	Confident	77.4	Confident	182 Å²	182	46.8 Å²	46.8	79%	0.791	25%	0.249	S	C	*	.	S	Bend	trans	-79.5	-25.5	175.2	-65.3	-178.8	-179.9	178.4	0	112.1
469	N	94.5	Very high	78.6	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-102.6	128	-177.7	179.8	-57.1	0	0	0	110.2	E85 Q86 T87 N105 A471 T472 H473	E85-N469 HydrophobicContact CG-CB 3.58Å; E85-N469 WeakPolarHBondContact CG-ND2 3.37Å; E85-N469 WeakPolarHBondContact OE2-CB 3.34Å; Q86-N469 PolarHBondContact O-ND2 2.94Å; T87-N469 PolarHBondContact OG1-ND2 3.45Å; N105-N469 WeakPolarHBondContact OD1-CA 3.38Å; N469-A471 WeakPolarHBondContact OD1-CA 3.12Å; N469-A471 VanDerWaalsContact OD1-CB 3.25Å; N469-A471 WeakPolarHBondContact OD1-CB 3.32Å; N469-A471 PolarHBondContact OD1-N 3.35Å; N469-T472 PolarHBondContact O-N 3.4Å; N469-T472 PolarHBondContact OD1-N 2.8Å; N469-H473 PolarHBondContact O-N 3.12Å
470	A	95.5	Very high	80	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-70.5	-30.5	-178.2	0	0	0	0	0	114.1	N105 V426 H473 L474 V514 Y516	N105-A470 PolarHBondContact OD1-N 2.94Å; N105-A470 VanDerWaalsContact OD1-N 3.1Å; V426-A470 HydrophobicContact CG1-CB 4.29Å; V426-A470 HydrophobicContact CG2-CB 4.46Å; A470-H473 WeakPolarHBondContact O-CB 3.38Å; A470-H473 PolarHBondContact O-N 2.94Å; A470-L474 WeakPolarHBondContact O-CG 3.36Å; A470-L474 PolarHBondContact O-N 3.24Å; A470-V514 HydrophobicContact CB-CB 4.38Å; A470-V514 HydrophobicContact CB-CG1 4.3Å; A470-V514 HydrophobicContact CB-CG2 4.2Å; A470-Y516 WeakPolarHBondContact CB-OH 3.42Å
471	A	97.6	Very high	81.3	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.8	-44	174	0	0	0	0	0	110.7	N107 N469 H473 L474 I475 V512 V514	N107-A471 HydrophobicContact CB-CB 3.88Å; N469-A471 WeakPolarHBondContact OD1-CA 3.12Å; N469-A471 VanDerWaalsContact OD1-CB 3.25Å; N469-A471 WeakPolarHBondContact OD1-CB 3.32Å; N469-A471 PolarHBondContact OD1-N 3.35Å; A471-H473 VanDerWaalsContact C-N 3.29Å; A471-H473 PolarHBondContact O-N 2.97Å; A471-L474 PolarHBondContact O-N 3.44Å; A471-I475 WeakPolarHBondContact O-CG1 3.48Å; A471-I475 PolarHBondContact O-N 3.46Å; A471-V512 HydrophobicContact CB-CB 4.05Å; A471-V512 HydrophobicContact CB-CG1 4.15Å; A471-V514 HydrophobicContact CB-CG2 4.46Å
472	T	96.7	Very high	82.2	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.9	-41	172	-51.1	0	0	0	0	111.7	L81 R82 E85 N107 D467 N469 I475 R476	L81-T472 HydrophobicContact CB-CG2 4.19Å; R82-T472 HydrophobicContact CG-CG2 4.24Å; E85-T472 WeakPolarHBondContact CG-OG1 3.4Å; E85-T472 WeakPolarHBondContact OE2-CB 3.5Å; E85-T472 PolarHBondContact OE2-OG1 3.47Å; N107-T472 PolarHBondContact ND2-OG1 3.17Å; D467-T472 HydrophobicContact CB-CG2 4.37Å; N469-T472 PolarHBondContact O-N 3.4Å; N469-T472 PolarHBondContact OD1-N 2.8Å; T472-I475 PolarHBondContact O-N 3.44Å; T472-R476 WeakPolarHBondContact O-CB 3.25Å; T472-R476 PolarHBondContact O-N 3.28Å
473	H	94.1	Very high	83.1	Confident	4 Å²	4	33.8 Å²	33.8	2%	0.019	19%	0.19	C	C	.	.	H	α-helix	trans	-60.9	-44.7	176.8	-172.2	61.1	0	0	0	111.7	H429 H434 D467 N469 A470 A471 R476 H477	H429-H473 AromaticContact CD2-CG 3.98Å; H434-H473 AromaticContact NE2-CE1 3.66Å; H434-H473 AromaticContact NE2-NE2 3.99Å; D467-H473 HydrophobicContact CB-CB 4.18Å; D467-H473 IonicContact OD2-ND1 3.68Å; N469-H473 PolarHBondContact O-N 3.12Å; A470-H473 WeakPolarHBondContact O-CB 3.38Å; A470-H473 PolarHBondContact O-N 2.94Å; A471-H473 VanDerWaalsContact C-N 3.29Å; A471-H473 PolarHBondContact O-N 2.97Å; H473-R476 PolarHBondContact O-N 3.25Å; H473-H477 AromaticContact CE1-CD2 3.38Å; H473-H477 PolarHBondContact CE1-CD2 3.45Å; H473-H477 AromaticContact CE1-NE2 3.19Å; H473-H477 PolarHBondContact CE1-NE2 2.97Å; H473-H477 AromaticContact ND1-CD2 3.72Å; H473-H477 AromaticContact ND1-NE2 3.9Å; H473-H477 AromaticContact NE2-CD2 3.67Å; H473-H477 AromaticContact NE2-NE2 3.66Å; H473-H477 PolarHBondContact O-CD2 3.12Å; H473-H477 VanDerWaalsContact O-CD2 3.31Å; H473-H477 PolarHBondContact O-N 2.89Å
474	L	95.5	Very high	83.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.8	-50.1	174.7	-77.2	174.9	0	0	0	112	I407 L413 F417 A422 L425 V426 A470 A471 R476 H477 A478 V512 V514	I407-L474 HydrophobicContact CD1-CD1 4.31Å; I407-L474 HydrophobicContact CG2-CD1 4.21Å; L413-L474 HydrophobicContact CD1-CB 4.2Å; F417-L474 HydrophobicContact CE2-CD2 4.49Å; F417-L474 WeakPolarHBondContact CE2-O 3.45Å; A422-L474 HydrophobicContact CB-CD2 4.16Å; L425-L474 HydrophobicContact CB-CD2 4.02Å; L425-L474 HydrophobicContact CD1-CD2 4.17Å; V426-L474 HydrophobicContact CG2-CD1 3.54Å; V426-L474 HydrophobicContact CG2-CD2 3.97Å; V426-L474 HydrophobicContact CG2-CG 3.78Å; A470-L474 WeakPolarHBondContact O-CG 3.36Å; A470-L474 PolarHBondContact O-N 3.24Å; A471-L474 PolarHBondContact O-N 3.44Å; L474-R476 VanDerWaalsContact C-N 3.3Å; L474-R476 PolarHBondContact O-N 3.23Å; L474-H477 CarbonylContact O-C 3.4Å; L474-H477 PolarHBondContact O-N 3.03Å; L474-H477 VanDerWaalsContact O-N 3.11Å; L474-A478 PolarHBondContact O-N 3.27Å; L474-V512 HydrophobicContact CD1-CG1 3.76Å; L474-V514 HydrophobicContact CD1-CG2 4.05Å
475	I	96.1	Very high	84.1	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-59.4	-41.9	179.1	-64.9	176.5	0	0	0	111.2	L81 N107 L109 A471 T472 H477 A478 L479 I510 V512	L81-I475 HydrophobicContact CD2-CG2 3.86Å; N107-I475 HydrophobicContact CB-CD1 3.75Å; L109-I475 HydrophobicContact CB-CD1 4.43Å; L109-I475 HydrophobicContact CB-CG2 3.98Å; L109-I475 HydrophobicContact CD2-CG2 3.82Å; A471-I475 WeakPolarHBondContact O-CG1 3.48Å; A471-I475 PolarHBondContact O-N 3.46Å; T472-I475 PolarHBondContact O-N 3.44Å; I475-H477 VanDerWaalsContact C-N 3.32Å; I475-H477 PolarHBondContact O-N 3.28Å; I475-A478 WeakPolarHBondContact O-CB 3.45Å; I475-A478 PolarHBondContact O-N 2.96Å; I475-L479 PolarHBondContact O-N 3.37Å; I475-I510 HydrophobicContact CD1-CG2 4.43Å; I475-I510 HydrophobicContact CG1-CG2 3.9Å; I475-V512 HydrophobicContact CD1-CG2 4.5Å; I475-V512 HydrophobicContact CG1-CG2 4.07Å
476	R	94.1	Very high	84.7	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.1	-45.5	176.3	-175.6	-176.5	-60.1	-84.6	-0.1	111.5	N78 L81 D467 T472 H473 L474 G480 L487 L492	N78-R476 PolarHBondContact OD1-NH1 3.03Å; N78-R476 PolarHBondContact OD1-NH2 3.41Å; L81-R476 HydrophobicContact CD1-CB 4.12Å; L81-R476 HydrophobicContact CD1-CG 4.14Å; L81-R476 VanDerWaalsContact CD1-CZ 3.45Å; D467-R476 IonicContact OD1-CZ 3.53Å; D467-R476 IonicContact OD1-NE 3.45Å; D467-R476 IonicContact OD1-NH2 2.81Å; D467-R476 PolarHBondContact OD1-NH2 3.42Å; D467-R476 IonicContact OD2-CZ 3.6Å; D467-R476 IonicContact OD2-NE 3.53Å; D467-R476 PolarHBondContact OD2-NE 2.92Å; D467-R476 IonicContact OD2-NH2 2.82Å; T472-R476 WeakPolarHBondContact O-CB 3.25Å; T472-R476 PolarHBondContact O-N 3.28Å; H473-R476 PolarHBondContact O-N 3.25Å; L474-R476 VanDerWaalsContact C-N 3.3Å; L474-R476 PolarHBondContact O-N 3.23Å; R476-G480 WeakPolarHBondContact O-CA 3.16Å; R476-G480 PolarHBondContact O-N 2.89Å; R476-L487 HydrophobicContact CG-CD1 4.15Å; R476-L487 HydrophobicContact CG-CD2 4.33Å; R476-L492 HydrophobicContact CG-CD1 4.47Å; R476-L492 HydrophobicContact CG-CD2 3.69Å
477	H	92.3	Very high	85.2	Confident	28 Å²	28	37.3 Å²	37.3	13%	0.13	19%	0.187	C	C	.	.	H	α-helix	trans	-70	-34.1	178.2	-84.5	-84.4	0	0	0	111.8	F417 L425 H473 L474 I475 L479 T481	F417-H477 HydrophobicContact CE1-CB 4.23Å; F417-H477 HydrophobicContact CZ-CB 3.57Å; L425-H477 HydrophobicContact CD1-CB 3.83Å; H473-H477 AromaticContact CE1-CD2 3.38Å; H473-H477 PolarHBondContact CE1-CD2 3.45Å; H473-H477 AromaticContact CE1-NE2 3.19Å; H473-H477 PolarHBondContact CE1-NE2 2.97Å; H473-H477 AromaticContact ND1-CD2 3.72Å; H473-H477 AromaticContact ND1-NE2 3.9Å; H473-H477 AromaticContact NE2-CD2 3.67Å; H473-H477 AromaticContact NE2-NE2 3.66Å; H473-H477 PolarHBondContact O-CD2 3.12Å; H473-H477 VanDerWaalsContact O-CD2 3.31Å; H473-H477 PolarHBondContact O-N 2.89Å; L474-H477 CarbonylContact O-C 3.4Å; L474-H477 PolarHBondContact O-N 3.03Å; L474-H477 VanDerWaalsContact O-N 3.11Å; I475-H477 VanDerWaalsContact C-N 3.32Å; I475-H477 PolarHBondContact O-N 3.28Å; H477-L479 VanDerWaalsContact C-N 3.33Å; H477-L479 PolarHBondContact O-N 2.92Å; H477-T481 PolarHBondContact ND1-OG1 3.29Å; H477-T481 WeakPolarHBondContact O-CB 3.38Å; H477-T481 PolarHBondContact O-N 3.07Å; H477-T481 PolarHBondContact O-OG1 3.48Å
478	A	92.8	Very high	85.1	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-58.4	-49.3	178.7	0	0	0	0	0	109.9	L413 E416 F417 L474 I475 I510	L413-A478 HydrophobicContact CD1-CB 4.48Å; E416-A478 HydrophobicContact CB-CB 3.97Å; E416-A478 HydrophobicContact CG-CB 4.19Å; F417-A478 HydrophobicContact CD2-CB 4.29Å; F417-A478 HydrophobicContact CE2-CB 3.54Å; F417-A478 VanDerWaalsContact CZ-CA 3.46Å; F417-A478 HydrophobicContact CZ-CB 4.06Å; L474-A478 PolarHBondContact O-N 3.27Å; I475-A478 WeakPolarHBondContact O-CB 3.45Å; I475-A478 PolarHBondContact O-N 2.96Å; A478-I510 HydrophobicContact CB-CD1 4.31Å
479	L	91.4	Very high	84.7	Confident	4 Å²	4	33.5 Å²	33.5	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-81.1	-33.3	-177.8	-63.2	-174.7	0	0	0	114.3	L109 I475 H477 R491 L492 M495 L496 R507 I510	L109-L479 HydrophobicContact CD2-CD1 3.22Å; L109-L479 HydrophobicContact CD2-CG 4.34Å; I475-L479 PolarHBondContact O-N 3.37Å; H477-L479 VanDerWaalsContact C-N 3.33Å; H477-L479 PolarHBondContact O-N 2.92Å; L479-R491 WeakPolarHBondContact O-CD 3.48Å; L479-R491 WeakPolarHBondContact O-CG 3.22Å; L479-R491 PolarHBondContact O-NE 3.22Å; L479-L492 HydrophobicContact CB-CD1 3.72Å; L479-L492 HydrophobicContact CD1-CD1 4.43Å; L479-M495 HydrophobicContact CB-CB 4.39Å; L479-M495 HydrophobicContact CD1-CB 4.5Å; L479-L496 HydrophobicContact CD1-CD2 3.74Å; L479-L496 HydrophobicContact CD1-CG 4.38Å; L479-R507 HydrophobicContact CD2-CB 4.22Å; L479-I510 HydrophobicContact CD2-CD1 3.99Å; L479-I510 HydrophobicContact CG-CD1 4.38Å
480	G	86.8	Confident	84.2	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-95.4	-17.1	-169	0	0	0	0	0	115	R476 G482 S488	R476-G480 WeakPolarHBondContact O-CA 3.16Å; R476-G480 PolarHBondContact O-N 2.89Å; G480-G482 PolarHBondContact O-N 2.83Å; G480-S488 PolarHBondContact O-N 3.4Å
481	T	82.6	Confident	83.7	Confident	28 Å²	28	43.9 Å²	43.9	17%	0.172	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-76.3	123.1	-173.7	-56.9	0	0	0	0	110.6	H477 G485 E486 R491	H477-T481 PolarHBondContact ND1-OG1 3.29Å; H477-T481 WeakPolarHBondContact O-CB 3.38Å; H477-T481 PolarHBondContact O-N 3.07Å; H477-T481 PolarHBondContact O-OG1 3.48Å; T481-G485 VanDerWaalsContact CG2-CA 3.5Å; T481-E486 WeakPolarHBondContact CA-O 3.44Å; T481-R491 VanDerWaalsContact O-CZ 3.28Å; T481-R491 PolarHBondContact O-NH1 3.03Å
482	G	71.3	Confident	83.3	Confident	25 Å²	25	43.9 Å²	43.9	26%	0.258	22%	0.222	S	C	.	.			trans	-76.4	175.8	174.7	0	0	0	0	0	113	G480 Y484 G485 E486	G480-G482 PolarHBondContact O-N 2.83Å; G482-Y484 PolarHBondContact O-N 3.19Å; G482-G485 PolarHBondContact O-N 3.48Å; G482-E486 PolarHBondContact N-O 3.42Å
483	E	63.9	Low	82.9	Confident	142 Å²	142	44.5 Å²	44.5	66%	0.664	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-22.8	179.6	-63.3	-176.5	164.4	0	0	114.2	Y6	Y6-E483 PolarHBondContact OH-OE1 2.94Å
484	Y	57.2	Low	82.7	Confident	183 Å²	183	48 Å²	48	72%	0.718	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	7.3	-179.2	-58.8	-76.6	0	0	0	114.1	G482 E486	G482-Y484 PolarHBondContact O-N 3.19Å; Y484-E486 VanDerWaalsContact C-N 3.34Å
485	G	63	Low	82.5	Confident	42 Å²	42	49.6 Å²	49.6	43%	0.433	26%	0.259	S	S	.	.	S	Bend	trans	78.6	13.7	177.3	0	0	0	0	0	114.8	T481 G482	T481-G485 VanDerWaalsContact CG2-CA 3.5Å; G482-G485 PolarHBondContact O-N 3.48Å
486	E	70.6	Confident	82.3	Confident	83 Å²	83	50.2 Å²	50.2	39%	0.388	26%	0.262	S	S	.	.			trans	-97.8	138.6	175.6	-65.5	-177	-180	0	0	110.5	K457 T481 G482 Y484 S488	K457-E486 WeakPolarHBondContact CG-OE1 3.36Å; T481-E486 WeakPolarHBondContact CA-O 3.44Å; G482-E486 PolarHBondContact N-O 3.42Å; Y484-E486 VanDerWaalsContact C-N 3.34Å; E486-S488 PolarHBondContact O-N 3.46Å
487	L	78.9	Confident	82.1	Confident	58 Å²	58	51.9 Å²	51.9	30%	0.304	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-74.4	109.8	176.8	-174.3	73.1	0	0	0	109.6	R476	R476-L487 HydrophobicContact CG-CD1 4.15Å; R476-L487 HydrophobicContact CG-CD2 4.33Å
488	S	83.2	Confident	82	Confident	42 Å²	42	52.3 Å²	52.3	29%	0.294	28%	0.279	S	S	.	.			trans	-91.9	114.8	174.4	175	0	0	0	0	110.4	G480 E486 E490 R491 L492	G480-S488 PolarHBondContact O-N 3.4Å; E486-S488 PolarHBondContact O-N 3.46Å; S488-E490 VanDerWaalsContact C-N 3.26Å; S488-E490 PolarHBondContact O-N 2.98Å; S488-R491 PolarHBondContact O-N 3.38Å; S488-R491 PolarHBondContact OG-N 3.09Å; S488-L492 PolarHBondContact O-N 3.08Å; S488-L492 VanDerWaalsContact O-N 3.1Å
489	Q	80.7	Confident	81.9	Confident	63 Å²	63	56 Å²	56	29%	0.294	30%	0.304	S	S	.	.	H	α-helix	trans	-64.3	-34.6	175.9	-168.5	62.8	34.3	0	0	111.9	L74 A493	L74-Q489 VanDerWaalsContact CD2-CD 3.41Å; L74-Q489 HydrophobicContact CD2-CG 3.96Å; Q489-A493 WeakPolarHBondContact O-CB 3.19Å; Q489-A493 PolarHBondContact O-N 3.43Å
490	E	83.3	Confident	81.7	Confident	143 Å²	143	61.6 Å²	61.6	67%	0.668	33%	0.33	S	S	*	.	H	α-helix	trans	-66.8	-46.9	178.2	-65.8	175.2	-178.6	0	0	110.8	S488 L492 A493 S494	S488-E490 VanDerWaalsContact C-N 3.26Å; S488-E490 PolarHBondContact O-N 2.98Å; E490-L492 VanDerWaalsContact C-N 3.33Å; E490-L492 PolarHBondContact O-N 3.17Å; E490-A493 PolarHBondContact O-N 3.38Å; E490-S494 PolarHBondContact O-N 3.28Å; E490-S494 PolarHBondContact O-OG 2.9Å; E490-S494 VanDerWaalsContact O-OG 3.07Å
491	R	86.6	Confident	81.7	Confident	75 Å²	75	69 Å²	69	28%	0.283	37%	0.369	S	S	.	.	H	α-helix	trans	-58.5	-47.5	176	-177.6	-177.6	166.9	158.6	4.7	110.8	E416 L479 T481 S488 A493 S494 M495	E416-R491 IonicContact OE2-NH2 3.46Å; L479-R491 WeakPolarHBondContact O-CD 3.48Å; L479-R491 WeakPolarHBondContact O-CG 3.22Å; L479-R491 PolarHBondContact O-NE 3.22Å; T481-R491 VanDerWaalsContact O-CZ 3.28Å; T481-R491 PolarHBondContact O-NH1 3.03Å; S488-R491 PolarHBondContact O-N 3.38Å; S488-R491 PolarHBondContact OG-N 3.09Å; R491-A493 PolarHBondContact O-N 2.96Å; R491-S494 PolarHBondContact O-N 3.29Å; R491-M495 HydrophobicContact CG-CG 4.43Å; R491-M495 WeakPolarHBondContact O-CG 3.41Å; R491-M495 PolarHBondContact O-N 2.75Å
492	L	88.9	Confident	82	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-59.4	-46.4	178.5	-178	65.4	0	0	0	111.7	I77 L81 R476 L479 S488 E490 S494 M495 L496	I77-L492 HydrophobicContact CG2-CD2 3.67Å; I77-L492 HydrophobicContact CG2-CG 4.09Å; L81-L492 HydrophobicContact CD1-CD1 4.36Å; L81-L492 HydrophobicContact CD1-CD2 4.16Å; R476-L492 HydrophobicContact CG-CD1 4.47Å; R476-L492 HydrophobicContact CG-CD2 3.69Å; L479-L492 HydrophobicContact CB-CD1 3.72Å; L479-L492 HydrophobicContact CD1-CD1 4.43Å; S488-L492 PolarHBondContact O-N 3.08Å; S488-L492 VanDerWaalsContact O-N 3.1Å; E490-L492 VanDerWaalsContact C-N 3.33Å; E490-L492 PolarHBondContact O-N 3.17Å; L492-S494 VanDerWaalsContact C-N 3.35Å; L492-S494 PolarHBondContact O-N 3.26Å; L492-M495 PolarHBondContact O-N 3.12Å; L492-L496 HydrophobicContact CD1-CD1 3.95Å; L492-L496 HydrophobicContact CD1-CG 4.3Å; L492-L496 HydrophobicContact CG-CD1 4.02Å; L492-L496 WeakPolarHBondContact O-CB 3.49Å; L492-L496 VanDerWaalsContact O-CG 3.32Å; L492-L496 WeakPolarHBondContact O-CG 3.35Å; L492-L496 PolarHBondContact O-N 2.67Å
493	A	88.4	Confident	83	Confident	12 Å²	12	69.4 Å²	69.4	10%	0.099	36%	0.364	C	S	.	.	H	α-helix	trans	-60.2	-44.9	177.2	0	0	0	0	0	111.5	I77 Q489 E490 R491 L496 A497	I77-A493 HydrophobicContact CD1-CB 3.63Å; Q489-A493 WeakPolarHBondContact O-CB 3.19Å; Q489-A493 PolarHBondContact O-N 3.43Å; E490-A493 PolarHBondContact O-N 3.38Å; R491-A493 PolarHBondContact O-N 2.96Å; A493-L496 PolarHBondContact O-N 2.9Å; A493-A497 WeakPolarHBondContact O-CB 3.39Å; A493-A497 PolarHBondContact O-N 2.85Å
494	S	89.5	Confident	84.4	Confident	77 Å²	77	67.6 Å²	67.6	54%	0.538	35%	0.351	S	S	.	.	H	α-helix	trans	-62.8	-45.3	178	-60.4	0	0	0	0	112.1	E490 R491 L492 L496 A497 L498	E490-S494 PolarHBondContact O-N 3.28Å; E490-S494 PolarHBondContact O-OG 2.9Å; E490-S494 VanDerWaalsContact O-OG 3.07Å; R491-S494 PolarHBondContact O-N 3.29Å; L492-S494 VanDerWaalsContact C-N 3.35Å; L492-S494 PolarHBondContact O-N 3.26Å; S494-L496 PolarHBondContact O-N 2.96Å; S494-A497 PolarHBondContact O-N 3.07Å; S494-L498 PolarHBondContact O-N 3.35Å
495	M	90.9	Very high	85.9	Confident	34 Å²	34	65.8 Å²	65.8	17%	0.167	35%	0.351	C	S	.	.	H	α-helix	trans	-63	-41.2	179.2	-70.8	-59.9	-173.9	0	0	112.1	L479 R491 L492 A497 L498 R507	L479-M495 HydrophobicContact CB-CB 4.39Å; L479-M495 HydrophobicContact CD1-CB 4.5Å; R491-M495 HydrophobicContact CG-CG 4.43Å; R491-M495 WeakPolarHBondContact O-CG 3.41Å; R491-M495 PolarHBondContact O-N 2.75Å; L492-M495 PolarHBondContact O-N 3.12Å; M495-A497 VanDerWaalsContact C-N 3.33Å; M495-L498 HydrophobicContact SD-CD1 4.18Å; M495-R507 PolarHBondContact O-NH1 3.36Å
496	L	91.8	Very high	87.3	Confident	14 Å²	14	69.9 Å²	69.9	7%	0.073	36%	0.355	C	S	.	.	H	α-helix	trans	-78.5	-14.7	179.1	-64.1	175.8	0	0	0	113.8	Q72 I77 I80 L81 L109 L479 L492 A493 S494	Q72-L496 PolarHBondContact NE2-O 3.46Å; I77-L496 HydrophobicContact CB-CD1 4.37Å; I77-L496 HydrophobicContact CG1-CD1 4.42Å; I77-L496 HydrophobicContact CG2-CD1 3.79Å; I80-L496 HydrophobicContact CD1-CB 4.42Å; I80-L496 HydrophobicContact CG2-CD2 4.05Å; L81-L496 HydrophobicContact CD1-CD1 4.23Å; L81-L496 HydrophobicContact CD2-CD1 4.14Å; L81-L496 HydrophobicContact CD2-CD2 4.17Å; L81-L496 HydrophobicContact CG-CD1 3.88Å; L109-L496 HydrophobicContact CD1-CD2 4.08Å; L109-L496 HydrophobicContact CD2-CD2 3.74Å; L479-L496 HydrophobicContact CD1-CD2 3.74Å; L479-L496 HydrophobicContact CD1-CG 4.38Å; L492-L496 HydrophobicContact CD1-CD1 3.95Å; L492-L496 HydrophobicContact CD1-CG 4.3Å; L492-L496 HydrophobicContact CG-CD1 4.02Å; L492-L496 WeakPolarHBondContact O-CB 3.49Å; L492-L496 VanDerWaalsContact O-CG 3.32Å; L492-L496 WeakPolarHBondContact O-CG 3.35Å; L492-L496 PolarHBondContact O-N 2.67Å; A493-L496 PolarHBondContact O-N 2.9Å; S494-L496 PolarHBondContact O-N 2.96Å
497	A	90.6	Very high	88.3	Confident	35 Å²	35	67.3 Å²	67.3	29%	0.289	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-7.7	176.2	0	0	0	0	0	113.4	Q72 A493 S494 M495	Q72-A497 HydrophobicContact CG-CB 4.34Å; A493-A497 WeakPolarHBondContact O-CB 3.39Å; A493-A497 PolarHBondContact O-N 2.85Å; S494-A497 PolarHBondContact O-N 3.07Å; M495-A497 VanDerWaalsContact C-N 3.33Å
498	L	89.9	Confident	89.1	Confident	37 Å²	37	65.5 Å²	65.5	19%	0.194	33%	0.332	C	S	.	.	S	Bend	trans	-60.9	131.8	177.8	-65.5	173.7	0	0	0	110.6	S494 M495 L502 Y506	S494-L498 PolarHBondContact O-N 3.35Å; M495-L498 HydrophobicContact SD-CD1 4.18Å; L498-L502 HydrophobicContact CD2-CD2 3.88Å; L498-L502 HydrophobicContact CD2-CG 4.33Å; L498-Y506 HydrophobicContact CD1-CD2 3.65Å; L498-Y506 HydrophobicContact CD1-CE2 4.5Å; L498-Y506 HydrophobicContact CD1-CG 3.76Å; L498-Y506 HydrophobicContact CD2-CD2 4.31Å; L498-Y506 HydrophobicContact CD2-CE2 4.4Å
499	P	90.4	Very high	89.8	Confident	80 Å²	80	63.5 Å²	63.5	52%	0.519	32%	0.318	S	S	.	.			trans	-57.9	155.5	169.3	-22.5	33	0	0	0	111.8	D501 L502 A503	P499-D501 VanDerWaalsContact C-N 3.31Å; P499-D501 PolarHBondContact O-N 3.39Å; P499-L502 CarbonylContact O-C 3.6Å; P499-L502 PolarHBondContact O-N 3.28Å; P499-A503 PolarHBondContact O-N 3.41Å
500	E	87.3	Confident	90.6	Very high	121 Å²	121	60.6 Å²	60.6	57%	0.565	30%	0.304	S	S	*	.	H	α-helix	trans	-53.3	-46.6	-177.5	-61.8	-179.8	-170.4	0	0	112	T113 L502 A503	T113-E500 VanDerWaalsContact CB-OE2 3.22Å; T113-E500 WeakPolarHBondContact CB-OE2 3.23Å; T113-E500 VanDerWaalsContact CG2-OE2 3.31Å; T113-E500 WeakPolarHBondContact CG2-OE2 3.4Å; T113-E500 PolarHBondContact OG1-OE2 2.69Å; E500-L502 PolarHBondContact O-N 2.83Å; E500-L502 VanDerWaalsContact O-N 3.09Å; E500-A503 PolarHBondContact O-N 3.4Å
501	D	86.1	Confident	91.4	Very high	154 Å²	154	53.8 Å²	53.8	82%	0.824	27%	0.272	S	S	*	.	H	α-helix	trans	-62.1	-21.2	179.4	-48.9	-6.7	0	0	0	114	P499	P499-D501 VanDerWaalsContact C-N 3.31Å; P499-D501 PolarHBondContact O-N 3.39Å
502	L	90.3	Very high	91.9	Very high	60 Å²	60	50.2 Å²	50.2	31%	0.314	26%	0.259	S	S	.	.	H	α-helix	trans	-105.5	-23.8	-176.6	-167.1	62.6	0	0	0	112.3	L498 P499 E500 R504 M505 Y506	L498-L502 HydrophobicContact CD2-CD2 3.88Å; L498-L502 HydrophobicContact CD2-CG 4.33Å; P499-L502 CarbonylContact O-C 3.6Å; P499-L502 PolarHBondContact O-N 3.28Å; E500-L502 PolarHBondContact O-N 2.83Å; E500-L502 VanDerWaalsContact O-N 3.09Å; L502-R504 VanDerWaalsContact C-N 3.32Å; L502-R504 PolarHBondContact O-N 3.49Å; L502-M505 HydrophobicContact CD1-CB 4.41Å; L502-M505 HydrophobicContact CD1-CG 4.34Å; L502-M505 HydrophobicContact CD1-SD 3.61Å; L502-M505 WeakPolarHBondContact O-CB 3.36Å; L502-M505 PolarHBondContact O-N 3.19Å; L502-Y506 HydrophobicContact CD1-CE2 3.86Å; L502-Y506 HydrophobicContact CD2-CE2 4.11Å; L502-Y506 HydrophobicContact CG-CD2 4.13Å; L502-Y506 HydrophobicContact CG-CE2 3.72Å; L502-Y506 WeakPolarHBondContact O-CD2 3.38Å
503	A	91.9	Very high	92.4	Very high	2 Å²	2	50.3 Å²	50.3	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-54.9	-46.2	-176.2	0	0	0	0	0	112.2	A111 P499 E500 M505 Y506 R507	A111-A503 WeakPolarHBondContact O-CB 3.4Å; P499-A503 PolarHBondContact O-N 3.41Å; E500-A503 PolarHBondContact O-N 3.4Å; A503-M505 PolarHBondContact O-N 3.11Å; A503-M505 VanDerWaalsContact O-N 3.11Å; A503-Y506 PolarHBondContact O-N 3.16Å; A503-R507 PolarHBondContact O-N 3.33Å
504	R	92.1	Very high	92.9	Very high	104 Å²	104	49.8 Å²	49.8	39%	0.392	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.2	178.6	-170.7	56.9	169.3	133.9	-18.9	114.4	A111 N112 L502 Y506 R507 D508	A111-R504 PolarHBondContact O-N 3Å; N112-R504 PolarHBondContact ND2-NE 3Å; N112-R504 WeakPolarHBondContact OD1-CD 3.32Å; N112-R504 VanDerWaalsContact OD1-CG 3.32Å; N112-R504 WeakPolarHBondContact OD1-CG 3.49Å; N112-R504 PolarHBondContact OD1-NE 2.87Å; L502-R504 VanDerWaalsContact C-N 3.32Å; L502-R504 PolarHBondContact O-N 3.49Å; R504-Y506 VanDerWaalsContact C-N 3.34Å; R504-R507 WeakPolarHBondContact CA-O 3.33Å; R504-D508 IonicContact CZ-OD1 3.96Å; R504-D508 IonicContact CZ-OD2 2.88Å; R504-D508 IonicContact NE-OD1 3.29Å; R504-D508 IonicContact NH1-OD1 3.69Å; R504-D508 PolarHBondContact NH1-OD1 2.92Å; R504-D508 IonicContact NH1-OD2 2.96Å; R504-D508 PolarHBondContact NH1-OD2 3.48Å; R504-D508 IonicContact NH2-OD1 2.93Å; R504-D508 PolarHBondContact NH2-OD1 3.45Å; R504-D508 IonicContact NH2-OD2 3.21Å; R504-D508 PolarHBondContact NH2-OD2 2.7Å
505	M	90	Very high	93.3	Very high	146 Å²	146	46.1 Å²	46.1	72%	0.719	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-18.2	175.2	-66.1	-171.9	64.1	0	0	113.6	L502 A503	L502-M505 HydrophobicContact CD1-CB 4.41Å; L502-M505 HydrophobicContact CD1-CG 4.34Å; L502-M505 HydrophobicContact CD1-SD 3.61Å; L502-M505 WeakPolarHBondContact O-CB 3.36Å; L502-M505 PolarHBondContact O-N 3.19Å; A503-M505 PolarHBondContact O-N 3.11Å; A503-M505 VanDerWaalsContact O-N 3.11Å
506	Y	90.9	Very high	93.6	Very high	128 Å²	128	44.9 Å²	44.9	50%	0.502	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-18.3	-173.1	-69.4	-88.7	0	0	0	114	L498 L502 A503 R504	L498-Y506 HydrophobicContact CD1-CD2 3.65Å; L498-Y506 HydrophobicContact CD1-CE2 4.5Å; L498-Y506 HydrophobicContact CD1-CG 3.76Å; L498-Y506 HydrophobicContact CD2-CD2 4.31Å; L498-Y506 HydrophobicContact CD2-CE2 4.4Å; L502-Y506 HydrophobicContact CD1-CE2 3.86Å; L502-Y506 HydrophobicContact CD2-CE2 4.11Å; L502-Y506 HydrophobicContact CG-CD2 4.13Å; L502-Y506 HydrophobicContact CG-CE2 3.72Å; L502-Y506 WeakPolarHBondContact O-CD2 3.38Å; A503-Y506 PolarHBondContact O-N 3.16Å; R504-Y506 VanDerWaalsContact C-N 3.34Å
507	R	93	Very high	93.7	Very high	28 Å²	28	44.6 Å²	44.6	11%	0.106	22%	0.222	C	C	.	.			trans	-152.2	163	176.3	60.1	168.4	-170.1	-80.7	3.6	110.5	P110 A111 L479 M495 A503 R504	P110-R507 PolarHBondContact O-NE 3.18Å; P110-R507 PolarHBondContact O-NH2 3.1Å; A111-R507 HydrophobicContact CB-CG 3.89Å; A111-R507 WeakPolarHBondContact CB-O 3.34Å; L479-R507 HydrophobicContact CD2-CB 4.22Å; M495-R507 PolarHBondContact O-NH1 3.36Å; A503-R507 PolarHBondContact O-N 3.33Å; R504-R507 WeakPolarHBondContact CA-O 3.33Å
508	D	95.7	Very high	93.6	Very high	21 Å²	21	44.3 Å²	44.3	11%	0.112	22%	0.215	C	C	.	.			trans	-91.4	171.7	164.3	-143.6	-25.6	0	0	0	111.8	A111 R504 I510	A111-D508 WeakPolarHBondContact CB-O 3.4Å; R504-D508 IonicContact CZ-OD1 3.96Å; R504-D508 IonicContact CZ-OD2 2.88Å; R504-D508 IonicContact NE-OD1 3.29Å; R504-D508 IonicContact NH1-OD1 3.69Å; R504-D508 PolarHBondContact NH1-OD1 2.92Å; R504-D508 IonicContact NH1-OD2 2.96Å; R504-D508 PolarHBondContact NH1-OD2 3.48Å; R504-D508 IonicContact NH2-OD1 2.93Å; R504-D508 PolarHBondContact NH2-OD1 3.45Å; R504-D508 IonicContact NH2-OD2 3.21Å; R504-D508 PolarHBondContact NH2-OD2 2.7Å; D508-I510 WeakPolarHBondContact O-CG1 3.38Å; D508-I510 PolarHBondContact O-N 3.38Å
509	D	97.7	Very high	92.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.221	C	C	.	.			trans	-55.5	131.9	159.1	-68.2	-29.7	0	0	0	108.2	P110 A111 N112 N115 E116 D117	P110-D509 WeakPolarHBondContact CA-OD1 3.35Å; A111-D509 WeakPolarHBondContact CA-OD1 3.35Å; A111-D509 PolarHBondContact N-OD1 2.93Å; N112-D509 PolarHBondContact N-OD1 2.8Å; N112-D509 VanDerWaalsContact ND2-CG 3.25Å; N112-D509 PolarHBondContact ND2-OD1 2.95Å; N112-D509 PolarHBondContact ND2-OD2 3.17Å; N115-D509 WeakPolarHBondContact OD1-CB 3.46Å; N115-D509 PolarHBondContact OD1-OD1 3.07Å; N115-D509 PolarHBondContact OD1-OD2 3.33Å; E116-D509 PolarHBondContact N-OD2 3.3Å; D117-D509 HydrophobicContact CB-CB 3.91Å; D117-D509 VanDerWaalsContact CG-CB 3.48Å
510	I	98.1	Very high	92.2	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	116.6	-178.6	-51.9	-177.9	0	0	0	108.5	H108 L109 L413 I475 A478 L479 D508 V512	H108-I510 CarbonylContact C-O 3.54Å; H108-I510 WeakPolarHBondContact CA-O 3.49Å; H108-I510 WeakPolarHBondContact CB-O 3.31Å; L109-I510 PolarHBondContact N-O 3.11Å; L109-I510 PolarHBondContact O-N 2.93Å; L413-I510 HydrophobicContact CB-CG2 4.12Å; L413-I510 HydrophobicContact CD1-CG2 4.47Å; I475-I510 HydrophobicContact CD1-CG2 4.43Å; I475-I510 HydrophobicContact CG1-CG2 3.9Å; A478-I510 HydrophobicContact CB-CD1 4.31Å; L479-I510 HydrophobicContact CD2-CD1 3.99Å; L479-I510 HydrophobicContact CG-CD1 4.38Å; D508-I510 WeakPolarHBondContact O-CG1 3.38Å; D508-I510 PolarHBondContact O-N 3.38Å; I510-V512 HydrophobicContact CG2-CG2 4Å
511	T	98.6	Very high	91.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.7	175.4	-64.5	0	0	0	0	110.7	H108 D117 R119 V134 G409 T410	H108-T511 HydrophobicContact CB-CG2 4.27Å; H108-T511 VanDerWaalsContact CB-OG1 3.28Å; H108-T511 WeakPolarHBondContact CB-OG1 3.31Å; D117-T511 WeakPolarHBondContact CB-OG1 3.48Å; D117-T511 WeakPolarHBondContact OD2-CB 3.5Å; D117-T511 PolarHBondContact OD2-N 3.49Å; D117-T511 VanDerWaalsContact OD2-N 3.14Å; D117-T511 PolarHBondContact OD2-OG1 2.77Å; R119-T511 HydrophobicContact CB-CG2 3.77Å; R119-T511 HydrophobicContact CG-CG2 4.47Å; V134-T511 HydrophobicContact CG1-CG2 4.16Å; G409-T511 WeakPolarHBondContact CA-O 3.22Å; T410-T511 PolarHBondContact N-O 3.35Å; T410-T511 VanDerWaalsContact N-O 3.12Å; T410-T511 PolarHBondContact OG1-N 3.18Å
512	V	98.6	Very high	90.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	135.7	-174.9	-170	0	0	0	0	110.7	S106 N107 I407 L408 L413 A471 L474 I475 I510 V514	S106-V512 CarbonylContact C-O 3.55Å; S106-V512 WeakPolarHBondContact CA-O 3.17Å; S106-V512 WeakPolarHBondContact CB-O 3.38Å; N107-V512 PolarHBondContact N-O 3.48Å; N107-V512 PolarHBondContact O-N 3.22Å; I407-V512 HydrophobicContact CG2-CG1 4.11Å; L408-V512 CarbonylContact O-C 3.47Å; L408-V512 WeakPolarHBondContact O-CA 3.42Å; L413-V512 HydrophobicContact CB-CG2 4.23Å; L413-V512 HydrophobicContact CD1-CG2 3.94Å; L413-V512 HydrophobicContact CD2-CG1 4.06Å; L413-V512 HydrophobicContact CD2-CG2 3.8Å; L413-V512 HydrophobicContact CG-CG2 4.2Å; A471-V512 HydrophobicContact CB-CB 4.05Å; A471-V512 HydrophobicContact CB-CG1 4.15Å; L474-V512 HydrophobicContact CD1-CG1 3.76Å; I475-V512 HydrophobicContact CD1-CG2 4.5Å; I475-V512 HydrophobicContact CG1-CG2 4.07Å; I510-V512 HydrophobicContact CG2-CG2 4Å; V512-V514 HydrophobicContact CG1-CG2 4.19Å
513	T	98.8	Very high	89.1	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.018	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	118.9	169.4	-61.7	0	0	0	0	110.3	F104 N105 F132 I407 L408 V515	F104-T513 HydrophobicContact CD2-CG2 4.29Å; N105-T513 CarbonylContact O-C 3.6Å; N105-T513 WeakPolarHBondContact O-CA 3.42Å; F132-T513 HydrophobicContact CD1-CG2 4.11Å; I407-T513 WeakPolarHBondContact CA-O 3.3Å; L408-T513 PolarHBondContact N-O 3.19Å; L408-T513 PolarHBondContact O-N 2.62Å; T513-V515 HydrophobicContact CG2-CG2 3.97Å
514	V	98.7	Very high	87.4	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	110.8	175.2	-176.1	0	0	0	0	109.2	F104 N105 F405 L406 I407 V426 A470 A471 L474 V512 Y516	F104-V514 CarbonylContact C-O 3.47Å; F104-V514 WeakPolarHBondContact CA-O 3.46Å; F104-V514 WeakPolarHBondContact CB-O 3.5Å; N105-V514 HydrophobicContact CB-CB 4.47Å; N105-V514 PolarHBondContact N-O 3.21Å; N105-V514 PolarHBondContact O-N 2.9Å; F405-V514 HydrophobicContact CB-CG1 4.31Å; F405-V514 HydrophobicContact CD2-CG1 4.37Å; L406-V514 CarbonylContact O-C 3.48Å; L406-V514 WeakPolarHBondContact O-CA 3.45Å; I407-V514 HydrophobicContact CG1-CG2 4.41Å; V426-V514 HydrophobicContact CG1-CG1 3.71Å; V426-V514 HydrophobicContact CG2-CG2 4.29Å; A470-V514 HydrophobicContact CB-CB 4.38Å; A470-V514 HydrophobicContact CB-CG1 4.3Å; A470-V514 HydrophobicContact CB-CG2 4.2Å; A471-V514 HydrophobicContact CB-CG2 4.46Å; L474-V514 HydrophobicContact CD1-CG2 4.05Å; V512-V514 HydrophobicContact CG1-CG2 4.19Å; V514-Y516 HydrophobicContact CG1-CE1 4.42Å; V514-Y516 HydrophobicContact CG1-CE2 3.98Å
515	V	98.5	Very high	85.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.2	-179.3	-174.7	0	0	0	0	109.4	V101 F104 F132 F405 L406 L408 T513	V101-V515 HydrophobicContact CB-CG1 4.3Å; V101-V515 HydrophobicContact CG1-CG1 3.6Å; V101-V515 HydrophobicContact CG2-CG1 3.73Å; F104-V515 HydrophobicContact CB-CB 4.48Å; F104-V515 HydrophobicContact CB-CG2 4.27Å; F132-V515 HydrophobicContact CB-CG2 4.43Å; F132-V515 HydrophobicContact CD1-CG2 3.72Å; F132-V515 HydrophobicContact CD2-CG1 4.4Å; F132-V515 HydrophobicContact CD2-CG2 3.92Å; F132-V515 HydrophobicContact CE1-CG1 4.43Å; F132-V515 HydrophobicContact CE1-CG2 3.87Å; F132-V515 HydrophobicContact CE2-CG1 3.82Å; F132-V515 HydrophobicContact CE2-CG2 4.06Å; F132-V515 HydrophobicContact CG-CG2 3.74Å; F132-V515 HydrophobicContact CZ-CG1 3.83Å; F132-V515 HydrophobicContact CZ-CG2 4.03Å; F405-V515 CarbonylContact C-O 3.52Å; F405-V515 WeakPolarHBondContact CA-O 3.27Å; F405-V515 VanDerWaalsContact CB-O 3.26Å; F405-V515 WeakPolarHBondContact CB-O 3.32Å; L406-V515 HydrophobicContact CB-CB 4.3Å; L406-V515 PolarHBondContact N-O 3.47Å; L406-V515 PolarHBondContact O-N 3.2Å; L408-V515 HydrophobicContact CD1-CG2 4.13Å; T513-V515 HydrophobicContact CG2-CG2 3.97Å
516	Y	96.4	Very high	83.4	Confident	9 Å²	9	54.3 Å²	54.3	4%	0.035	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	121.5	179.1	-63	-92.5	0	0	0	110.6	R102 K103 N105 F405 L430 A470 V514	R102-Y516 PolarHBondContact N-O 3.1Å; K103-Y516 HydrophobicContact CD-CD2 4.12Å; K103-Y516 HydrophobicContact CD-CE2 4.43Å; K103-Y516 HydrophobicContact CG-CD2 3.54Å; K103-Y516 HydrophobicContact CG-CE2 4.29Å; K103-Y516 HydrophobicContact CG-CG 3.92Å; K103-Y516 WeakPolarHBondContact O-CB 3.43Å; K103-Y516 PolarHBondContact O-N 3.27Å; N105-Y516 HydrophobicContact CB-CE2 4.3Å; F405-Y516 HydrophobicContact CB-CD1 4.19Å; L430-Y516 HydrophobicContact CB-CE1 4.38Å; L430-Y516 HydrophobicContact CD1-CD1 3.96Å; L430-Y516 HydrophobicContact CD1-CE1 3.71Å; L430-Y516 HydrophobicContact CD2-CD1 4.14Å; L430-Y516 HydrophobicContact CD2-CE1 4.13Å; L430-Y516 HydrophobicContact CG-CE1 4.29Å; A470-Y516 WeakPolarHBondContact CB-OH 3.42Å; V514-Y516 HydrophobicContact CG1-CE1 4.42Å; V514-Y516 HydrophobicContact CG1-CE2 3.98Å
517	L	94.2	Very high	80.7	Confident	8 Å²	8	57.2 Å²	57.2	4%	0.042	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	147.3	-173.5	-57.8	171.4	0	0	0	111.2	A100 V270 I275 L287 L399 D403 R404 Y519	A100-L517 WeakPolarHBondContact O-CA 3.16Å; V270-L517 HydrophobicContact CG1-CD2 3.98Å; I275-L517 HydrophobicContact CD1-CD1 3.94Å; I275-L517 HydrophobicContact CD1-CD2 4.18Å; L287-L517 HydrophobicContact CD1-CD1 3.73Å; L399-L517 HydrophobicContact CD2-CD1 3.82Å; L399-L517 HydrophobicContact CD2-CD2 4.38Å; D403-L517 HydrophobicContact CB-CD1 4.13Å; R404-L517 PolarHBondContact O-N 3.28Å; L517-Y519 PolarHBondContact O-N 3.35Å
518	N	88.1	Confident	80.1	Confident	29 Å²	29	58.7 Å²	58.7	16%	0.155	30%	0.296	C	S	.	.			trans	-84.5	90.7	173.4	-172	-4.7	0	0	0	110.1	S99 A100 D520 L521	S99-N518 VanDerWaalsContact O-CB 3.3Å; S99-N518 WeakPolarHBondContact O-CB 3.47Å; S99-N518 PolarHBondContact O-ND2 3.39Å; S99-N518 VanDerWaalsContact O-ND2 3.1Å; A100-N518 PolarHBondContact O-N 3.36Å; N518-D520 PolarHBondContact O-N 3.22Å; N518-D520 PolarHBondContact OD1-N 3.31Å; N518-L521 HydrophobicContact CB-CD1 4.04Å; N518-L521 HydrophobicContact CB-CG 4.45Å; N518-L521 PolarHBondContact O-N 2.99Å
519	Y	75.9	Confident	79.3	Confident	79 Å²	79	60.6 Å²	60.6	31%	0.31	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-65.8	-16.6	-177.3	62.3	-95.4	0	0	0	114.1	L517 L521 A522	L517-Y519 PolarHBondContact O-N 3.35Å; Y519-L521 PolarHBondContact O-N 3.36Å; Y519-A522 PolarHBondContact O-N 2.92Å
520	D	75.1	Confident	78.3	Confident	85 Å²	85	64 Å²	64	46%	0.455	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-69.3	-25.8	178.1	-70.4	-41.5	0	0	0	111.8	N518 A522 R523	N518-D520 PolarHBondContact O-N 3.22Å; N518-D520 PolarHBondContact OD1-N 3.31Å; D520-A522 VanDerWaalsContact C-N 3.28Å; D520-A522 PolarHBondContact O-N 2.99Å; D520-R523 PolarHBondContact O-N 3.11Å; D520-R523 IonicContact OD1-CZ 3.81Å; D520-R523 IonicContact OD1-NE 3.96Å; D520-R523 IonicContact OD1-NH1 3.56Å
521	L	72	Confident	77.1	Confident	56 Å²	56	67.7 Å²	67.7	29%	0.293	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-68.3	-28.2	176	-69.9	169	0	0	0	113.4	L98 S99 A100 N518 Y519 R523	L98-L521 HydrophobicContact CB-CD1 4.46Å; L98-L521 HydrophobicContact CB-CD2 3.49Å; L98-L521 VanDerWaalsContact CB-CD2 3.49Å; L98-L521 HydrophobicContact CB-CG 4.39Å; L98-L521 HydrophobicContact CD1-CD2 3.82Å; L98-L521 HydrophobicContact CG-CD2 4.31Å; S99-L521 WeakPolarHBondContact O-CD1 3.36Å; A100-L521 HydrophobicContact CB-CD1 4.21Å; N518-L521 HydrophobicContact CB-CD1 4.04Å; N518-L521 HydrophobicContact CB-CG 4.45Å; N518-L521 PolarHBondContact O-N 2.99Å; Y519-L521 PolarHBondContact O-N 3.36Å; L521-R523 VanDerWaalsContact C-N 3.32Å
522	A	63.3	Low	75.7	Confident	28 Å²	28	71.9 Å²	71.9	23%	0.231	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-85.2	-7.8	-179.4	0	0	0	0	0	112.7	P401 Y519 D520	P401-A522 HydrophobicContact CG-CB 4.02Å; P401-A522 WeakPolarHBondContact CG-O 3.47Å; Y519-A522 PolarHBondContact O-N 2.92Å; D520-A522 VanDerWaalsContact C-N 3.28Å; D520-A522 PolarHBondContact O-N 2.99Å
523	R	63.6	Low	74.2	Confident	143 Å²	143	76.7 Å²	76.7	54%	0.54	39%	0.387	S	S	.	.	S	Bend	trans	-75.4	131.9	175.8	-70.4	-177.3	173.7	176.1	-1.4	109.6	D520 L521 R525	D520-R523 PolarHBondContact O-N 3.11Å; D520-R523 IonicContact OD1-CZ 3.81Å; D520-R523 IonicContact OD1-NE 3.96Å; D520-R523 IonicContact OD1-NH1 3.56Å; L521-R523 VanDerWaalsContact C-N 3.32Å; R523-R525 PolarHBondContact O-N 3.3Å
524	P	55.8	Low	72.5	Confident	101 Å²	101	82 Å²	82	66%	0.656	41%	0.413	S	S	*	.			trans	-57.9	129.3	173.2	22.4	-29.7	0	0	0	108.9	H526	P524-H526 PolarHBondContact O-N 3.41Å
525	R	54	Low	70.4	Confident	234 Å²	234	88.3 Å²	88.3	88%	0.883	45%	0.445	S	S	*	.			trans	-61	111.5	171.8	-69.2	-175.3	179.6	-176.1	0.2	106.9	R523 S527	R523-R525 PolarHBondContact O-N 3.3Å; R525-S527 PolarHBondContact O-N 3.28Å
526	H	45	Very low	68.1	Low	188 Å²	188	95.7 Å²	95.7	87%	0.87	48%	0.482	S	S	*	.			trans	-63.2	108.1	168.7	-73.5	-65.8	0	0	0	107.1	P524	P524-H526 PolarHBondContact O-N 3.41Å
527	S	33.8	Very low	65.5	Low	188 Å²	188	103.5 Å²	103.5	100%	1.315	52%	0.523	S	S	*	.			trans	-74.6	0	172.6	57.7	0	0	0	0	111.3	R525	R525-S527 PolarHBondContact O-N 3.28Å

Retrieved 527 of 527 residues in 552.8 ms (Link to these results)

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