A0A3Q0KR70_SCHMA Loading...

Putative potassium channel tetramerization domain-containing

AlphaFold DB , UniProt , Accession A0A3Q0KR70, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 615 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	34.1	Very low	33	Very low	246 Å²	246	153.2 Å²	153.2	100%	1.212	82%	0.82	S	S	*	*				0	156.4	0	-70.3	175.4	73.7	0	0	108
2	I	34.9	Very low	32.9	Very low	154 Å²	154	154.8 Å²	154.8	79%	0.79	83%	0.827	S	S	*	*			trans	-79.5	148.2	-158.3	-67.2	160.9	0	0	0	112.9	E4	I2-E4 HydrophobicContact CG2-CG 4.25Å
3	P	35.7	Very low	32.6	Very low	117 Å²	117	150.8 Å²	150.8	76%	0.76	82%	0.819	S	S	*	*			trans	-102.5	141.7	167.9	37.5	-30.1	0	0	0	113.1
4	E	37.9	Very low	32.2	Very low	155 Å²	155	146.3 Å²	146.3	72%	0.724	80%	0.804	S	S	*	*			trans	-157.3	155.5	174.1	-74.1	-157.3	133.7	0	0	108.7	I2	I2-E4 HydrophobicContact CG2-CG 4.25Å
5	Q	35.3	Very low	32.3	Very low	159 Å²	159	149.1 Å²	149.1	74%	0.743	81%	0.808	S	S	*	*			cis	-158.2	178	-4.3	-118	178.3	27.8	0	0	110.1
6	I	31	Very low	32	Very low	145 Å²	145	148.6 Å²	148.6	74%	0.744	80%	0.803	S	S	*	*			trans	-101	151.2	-172.3	-65.5	155.4	0	0	0	111.6
7	T	31.7	Very low	31.9	Very low	144 Å²	144	146.9 Å²	146.9	88%	0.883	80%	0.802	S	S	*	*			trans	-169	129.4	144.7	5.3	0	0	0	0	113.6
8	P	33	Very low	31.6	Very low	112 Å²	112	146.9 Å²	146.9	73%	0.727	80%	0.799	S	S	*	*			trans	-111.8	159.1	158.9	37.6	-28.8	0	0	0	112
9	L	32.5	Very low	31.4	Very low	177 Å²	177	144.8 Å²	144.8	93%	0.927	80%	0.797	S	S	*	*			trans	-145.9	147.1	170.3	-104.3	166.4	0	0	0	110.6
10	S	30.9	Very low	31.3	Very low	96 Å²	96	143.6 Å²	143.6	67%	0.671	79%	0.793	S	S	*	*			trans	-121	168.4	-169.4	52.4	0	0	0	0	113
11	E	26	Very low	31.2	Very low	180 Å²	180	142.1 Å²	142.1	84%	0.841	79%	0.794	S	S	*	*			trans	71.8	116.4	164.4	-56.4	-174.8	166.1	0	0	119.2
12	L	32	Very low	30.9	Very low	173 Å²	173	136.7 Å²	136.7	91%	0.906	77%	0.774	S	S	*	*			trans	-156.6	107.8	143.4	-123.8	137.9	0	0	0	113.7
13	S	29.5	Very low	30.4	Very low	102 Å²	102	136.7 Å²	136.7	71%	0.713	78%	0.775	S	S	*	*			trans	32.4	136.6	148.6	-160.7	0	0	0	0	123.5
14	S	27.1	Very low	30	Very low	88 Å²	88	136.1 Å²	136.1	62%	0.615	77%	0.771	S	S	*	*			trans	-60.6	159.4	168.2	55.7	0	0	0	0	117.4
15	H	33.6	Very low	29.6	Very low	188 Å²	188	132.8 Å²	132.8	87%	0.87	76%	0.764	S	S	*	*			trans	-159.5	146.9	132.2	-92.7	-62.5	0	0	0	112.2
16	I	27.5	Very low	29.1	Very low	142 Å²	142	131.3 Å²	131.3	73%	0.728	77%	0.767	S	S	*	*			trans	-133.4	146.8	-176	-53.5	168	0	0	0	109.5	I18	I16-I18 HydrophobicContact CG2-CG1 4.37Å
17	P	30.3	Very low	29	Very low	119 Å²	119	130.8 Å²	130.8	77%	0.773	77%	0.77	S	S	*	*				-143.4	120.7	126.6	32	-15.3	0	0	0	112.8
18	I	25.9	Very low	28.8	Very low	147 Å²	147	131.9 Å²	131.9	75%	0.754	77%	0.765	S	S	*	*				62.1	111	84.8	-58.7	172.9	0	0	0	116	I16	I16-I18 HydrophobicContact CG2-CG1 4.37Å
19	S	28.7	Very low	28.5	Very low	108 Å²	108	133 Å²	133	76%	0.755	77%	0.77	S	S	*	*			trans	177.1	142.9	141.4	-77.4	0	0	0	0	108.9
20	T	29.2	Very low	28.3	Very low	119 Å²	119	130 Å²	130	73%	0.73	76%	0.759	S	S	*	*			cis	-167.9	138.4	-9.2	22.1	0	0	0	0	108.8
21	S	28	Very low	28	Very low	114 Å²	114	133.9 Å²	133.9	80%	0.797	77%	0.767	S	S	*	*			trans	59.3	144.5	158.1	69.9	0	0	0	0	118.6
22	V	29.4	Very low	28.1	Very low	131 Å²	131	133 Å²	133	79%	0.794	77%	0.767	S	S	*	*			cis	-145.1	142.2	28.3	171.3	0	0	0	0	110.6
23	L	22.9	Very low	27.8	Very low	155 Å²	155	132 Å²	132	81%	0.812	77%	0.767	S	S	*	*			trans	-109.4	168.6	163.9	-125.3	87.5	0	0	0	107.9
24	P	28.9	Very low	27.9	Very low	105 Å²	105	131.5 Å²	131.5	68%	0.682	76%	0.764	S	S	*	*				-155.6	-178.3	50.9	39.3	-15.3	0	0	0	119.3
25	S	28.5	Very low	28	Very low	84 Å²	84	130.9 Å²	130.9	59%	0.587	75%	0.754	S	S	*	*			trans	59.6	106	145.6	56.1	0	0	0	0	119.6
26	T	24.9	Very low	28	Very low	129 Å²	129	130.9 Å²	130.9	79%	0.791	75%	0.751	S	S	*	*				63.9	112.3	73.1	66.9	0	0	0	0	116
27	T	29.3	Very low	28.1	Very low	133 Å²	133	128.4 Å²	128.4	82%	0.816	74%	0.743	S	S	*	*				-168.3	146.5	121.7	26.2	0	0	0	0	111.9
28	H	26.5	Very low	28.3	Very low	168 Å²	168	126.2 Å²	126.2	78%	0.778	73%	0.727	S	S	*	*			trans	-31.9	143.9	168.6	-50.6	-91.4	0	0	0	117
29	T	27.6	Very low	28.7	Very low	134 Å²	134	125.7 Å²	125.7	82%	0.822	72%	0.722	S	S	*	*				-177.3	139.2	92.5	36.7	0	0	0	0	113
30	T	28.2	Very low	28.8	Very low	116 Å²	116	125.5 Å²	125.5	71%	0.712	71%	0.712	S	S	*	*			trans	-10.3	131.8	157.1	48.3	0	0	0	0	120.4
31	E	24.2	Very low	28.8	Very low	176 Å²	176	124.5 Å²	124.5	82%	0.822	70%	0.701	S	S	*	*			trans	40.1	100.3	133.2	-61.7	-178.3	139.6	0	0	119.6
32	L	27.1	Very low	29.1	Very low	163 Å²	163	125.7 Å²	125.7	85%	0.853	69%	0.692	S	S	*	*			trans	-154.8	94.7	140.3	-110.3	141.1	0	0	0	109	S34	L32-S34 PolarHBondContact O-N 2.98Å
33	V	25.6	Very low	29.1	Very low	150 Å²	150	126.2 Å²	126.2	91%	0.909	69%	0.69	S	S	*	*			trans	-76.7	75	172.8	-177.6	0	0	0	0	108.4	D35	V33-D35 VanDerWaalsContact C-N 3.29Å; V33-D35 PolarHBondContact O-N 2.8Å
34	S	32.1	Very low	29.4	Very low	92 Å²	92	124.6 Å²	124.6	64%	0.643	68%	0.681	S	S	*	*			trans	-81.4	77.1	177.1	67.3	0	0	0	0	111.1	L32 K36	L32-S34 PolarHBondContact O-N 2.98Å; S34-K36 PolarHBondContact O-N 3.45Å
35	D	30.2	Very low	29.5	Very low	75 Å²	75	127.1 Å²	127.1	40%	0.401	68%	0.684	S	S	.	*			trans	38	74.2	131.6	-160.2	32.8	0	0	0	117.3	V33 T37 T38	V33-D35 VanDerWaalsContact C-N 3.29Å; V33-D35 PolarHBondContact O-N 2.8Å; D35-T37 PolarHBondContact O-N 3.21Å; D35-T37 VanDerWaalsContact O-N 3.09Å; D35-T37 WeakPolarHBondContact OD1-CB 3.4Å; D35-T37 PolarHBondContact OD1-OG1 2.93Å; D35-T38 VanDerWaalsContact CG-OG1 3.28Å; D35-T38 PolarHBondContact O-N 2.81Å; D35-T38 PolarHBondContact O-OG1 3.2Å; D35-T38 WeakPolarHBondContact OD2-CB 3.4Å; D35-T38 VanDerWaalsContact OD2-CG2 3.3Å; D35-T38 WeakPolarHBondContact OD2-CG2 3.42Å; D35-T38 PolarHBondContact OD2-OG1 2.9Å
36	K	32.6	Very low	29.5	Very low	188 Å²	188	128.5 Å²	128.5	82%	0.817	69%	0.689	S	S	*	*	H	α-helix	trans	-65	-6	166.4	-77.2	-175	174.3	179.3	0	113.4	S34	S34-K36 PolarHBondContact O-N 3.45Å
37	T	30	Very low	29.5	Very low	91 Å²	91	126.5 Å²	126.5	56%	0.558	69%	0.685	S	S	*	*	H	α-helix	trans	-73.6	-30.6	176.1	-10.3	0	0	0	0	112.3	D35 L41	D35-T37 PolarHBondContact O-N 3.21Å; D35-T37 VanDerWaalsContact O-N 3.09Å; D35-T37 WeakPolarHBondContact OD1-CB 3.4Å; D35-T37 PolarHBondContact OD1-OG1 2.93Å; T37-L41 WeakPolarHBondContact O-CG 3.27Å; T37-L41 PolarHBondContact O-N 3.12Å; T37-L41 VanDerWaalsContact O-N 3.14Å
38	T	34.2	Very low	29.3	Very low	72 Å²	72	125.4 Å²	125.4	44%	0.442	68%	0.68	S	S	.	*	H	α-helix	trans	-77.3	-27.6	179.1	19.9	0	0	0	0	114.5	D35 K42	D35-T38 VanDerWaalsContact CG-OG1 3.28Å; D35-T38 PolarHBondContact O-N 2.81Å; D35-T38 PolarHBondContact O-OG1 3.2Å; D35-T38 WeakPolarHBondContact OD2-CB 3.4Å; D35-T38 VanDerWaalsContact OD2-CG2 3.3Å; D35-T38 WeakPolarHBondContact OD2-CG2 3.42Å; D35-T38 PolarHBondContact OD2-OG1 2.9Å; T38-K42 PolarHBondContact O-N 3Å
39	E	35.2	Very low	29.3	Very low	136 Å²	136	125.5 Å²	125.5	64%	0.636	69%	0.687	S	S	*	*	H	α-helix	trans	-70.4	-39.8	170.6	-84.3	-75.1	118	0	0	111.4	L41 K42 L43	E39-L41 VanDerWaalsContact C-N 3.35Å; E39-L41 PolarHBondContact O-N 3.01Å; E39-K42 PolarHBondContact O-N 3.43Å; E39-L43 PolarHBondContact O-N 3.22Å
40	L	29.6	Very low	29.1	Very low	105 Å²	105	122.6 Å²	122.6	55%	0.55	68%	0.683	S	S	.	*	H	α-helix	trans	-64.8	-39	176.2	-125.7	92.5	0	0	0	112	K42 L43 I44	L40-K42 VanDerWaalsContact C-N 3.35Å; L40-K42 PolarHBondContact O-N 2.77Å; L40-L43 PolarHBondContact O-N 3.2Å; L40-I44 WeakPolarHBondContact O-CD1 3.47Å; L40-I44 WeakPolarHBondContact O-CG1 3.47Å; L40-I44 PolarHBondContact O-N 3.3Å
41	L	30.8	Very low	28.9	Very low	97 Å²	97	125.3 Å²	125.3	51%	0.508	69%	0.688	S	S	.	*	H	α-helix	trans	-66.4	-32.5	177.2	-80.1	164.8	0	0	0	113.1	T37 E39	T37-L41 WeakPolarHBondContact O-CG 3.27Å; T37-L41 PolarHBondContact O-N 3.12Å; T37-L41 VanDerWaalsContact O-N 3.14Å; E39-L41 VanDerWaalsContact C-N 3.35Å; E39-L41 PolarHBondContact O-N 3.01Å
42	K	33.8	Very low	28.8	Very low	140 Å²	140	123.5 Å²	123.5	61%	0.609	68%	0.684	S	S	*	*	H	α-helix	trans	-69.9	-34	173.9	-79.3	178.4	179.1	171.7	0	113.4	T38 E39 L40 I44	T38-K42 PolarHBondContact O-N 3Å; E39-K42 PolarHBondContact O-N 3.43Å; L40-K42 VanDerWaalsContact C-N 3.35Å; L40-K42 PolarHBondContact O-N 2.77Å; K42-I44 VanDerWaalsContact C-N 3.31Å
43	L	29.1	Very low	28.8	Very low	141 Å²	141	123.7 Å²	123.7	74%	0.738	68%	0.684	S	S	*	*	H	α-helix	trans	-73.9	-23.4	179.1	-143.5	83.4	0	0	0	113.1	E39 L40	E39-L43 PolarHBondContact O-N 3.22Å; L40-L43 PolarHBondContact O-N 3.2Å
44	I	29	Very low	28.7	Very low	121 Å²	121	124.5 Å²	124.5	62%	0.621	68%	0.682	S	S	*	*	H	α-helix	trans	-83.2	-19.4	-177.3	-70.3	168	0	0	0	112.3	L40 K42	L40-I44 WeakPolarHBondContact O-CD1 3.47Å; L40-I44 WeakPolarHBondContact O-CG1 3.47Å; L40-I44 PolarHBondContact O-N 3.3Å; K42-I44 VanDerWaalsContact C-N 3.31Å
45	Q	30.4	Very low	28.4	Very low	159 Å²	159	129.3 Å²	129.3	74%	0.743	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	5	-174	-73.3	-176.9	-26.7	0	0	115.7
46	T	28.5	Very low	28.1	Very low	113 Å²	113	133.1 Å²	133.1	69%	0.693	71%	0.711	S	S	*	*	S	Bend	trans	-127.2	11.6	-170.6	55.7	0	0	0	0	116.5
47	A	25.6	Very low	27.7	Very low	86 Å²	86	131.9 Å²	131.9	71%	0.711	71%	0.714	S	S	*	*			trans	-119.1	101.4	-177.1	0	0	0	0	0	113
48	P	25.5	Very low	27.4	Very low	111 Å²	111	139.9 Å²	139.9	72%	0.721	73%	0.733	S	S	*	*			trans	-80.2	140.6	173.9	31.7	-32.8	0	0	0	112.1
49	N	25.4	Very low	26.9	Very low	170 Å²	170	144.5 Å²	144.5	91%	0.909	75%	0.752	S	S	*	*	S	Bend	trans	63.8	110.3	168	-59.1	-30.2	0	0	0	118.3
50	G	23.7	Very low	26.5	Very low	73 Å²	73	144.7 Å²	144.7	75%	0.753	76%	0.757	S	S	*	*			trans	126	101.7	142.2	0	0	0	0	0	118.1
51	Q	24.2	Very low	26.4	Very low	173 Å²	173	150 Å²	150	81%	0.808	78%	0.777	S	S	*	*			trans	50.5	129.9	144.2	-64.4	-177.3	-13.3	0	0	121.6
52	N	23.4	Very low	26	Very low	137 Å²	137	153.9 Å²	153.9	73%	0.733	79%	0.792	S	S	*	*			trans	78.5	125.2	161.7	-45.6	-45.6	0	0	0	116.9
53	I	26.6	Very low	25.7	Very low	168 Å²	168	152.6 Å²	152.6	86%	0.862	80%	0.801	S	S	*	*				175.4	140.6	107.5	-87.6	156	0	0	0	109.7
54	L	23.2	Very low	25.7	Very low	167 Å²	167	151.7 Å²	151.7	87%	0.874	81%	0.806	S	S	*	*			trans	-66.4	149.8	174.4	-69.5	148.6	0	0	0	111.7
55	K	25.3	Very low	25.5	Very low	193 Å²	193	153.7 Å²	153.7	84%	0.839	82%	0.818	S	S	*	*			trans	-145.5	131.8	156.6	-125	175.5	-175.1	179.1	0	113.4
56	L	23.4	Very low	25.4	Very low	155 Å²	155	155.7 Å²	155.7	81%	0.812	83%	0.827	S	S	*	*			trans	-71.2	155.5	171	-67.7	154	0	0	0	110.3
57	N	25.5	Very low	25.2	Very low	162 Å²	162	160 Å²	160	87%	0.866	84%	0.837	S	S	*	*			trans	-149	112.2	154.9	-122.7	-0.5	0	0	0	110.9
58	W	23.1	Very low	25.3	Very low	258 Å²	258	164.9 Å²	164.9	98%	0.977	85%	0.845	S	S	*	*			trans	-136.5	101.7	164.2	-114.7	46.7	0	0	0	105.3
59	M	24.2	Very low	25.4	Very low	170 Å²	170	168.5 Å²	168.5	84%	0.837	85%	0.853	S	S	*	*			trans	-175.8	141.9	158	-108.8	170.4	-171.4	0	0	111.3
60	N	25.5	Very low	25.5	Very low	139 Å²	139	170.4 Å²	170.4	74%	0.743	85%	0.848	S	S	*	*			trans	68.5	99.7	159.6	-54.3	-11.3	0	0	0	118.3
61	F	27.6	Very low	25.7	Very low	217 Å²	217	172.6 Å²	172.6	95%	0.952	85%	0.847	S	S	*	*				-138.2	116.1	117.1	-108.1	-80.6	0	0	0	109.7
62	Q	24.2	Very low	25.9	Very low	179 Å²	179	172.9 Å²	172.9	84%	0.836	85%	0.849	S	S	*	*			trans	-124.5	158	170.8	-137.1	-173.4	11.8	0	0	107.9
63	S	26	Very low	26.2	Very low	113 Å²	113	173.7 Å²	173.7	79%	0.79	85%	0.848	S	S	*	*			trans	71.6	106.4	175.9	73.8	0	0	0	0	117.9
64	S	29.4	Very low	26.4	Very low	122 Å²	122	174.5 Å²	174.5	85%	0.853	85%	0.845	S	S	*	*				-163.2	148.2	110.9	20	0	0	0	0	110.5	E66	S64-E66 PolarHBondContact O-N 2.99Å
65	N	25.7	Very low	26.8	Very low	163 Å²	163	173.5 Å²	173.5	87%	0.872	84%	0.84	S	S	*	*			trans	-65.6	122.6	-165.4	-54.7	-35.9	0	0	0	114.3
66	E	27.5	Very low	27	Very low	200 Å²	200	172.2 Å²	172.2	94%	0.935	84%	0.835	S	S	*	*			trans	-154.4	68.3	154.8	-119.4	169.6	-142.6	0	0	109.4	S64	S64-E66 PolarHBondContact O-N 2.99Å
67	F	24.7	Very low	27.3	Very low	203 Å²	203	170.7 Å²	170.7	89%	0.89	83%	0.832	S	S	*	*			trans	-124.7	67.1	-171.7	-144.8	-72.4	0	0	0	110.9
68	Q	26.9	Very low	27.4	Very low	189 Å²	189	170.5 Å²	170.5	88%	0.883	83%	0.831	S	S	*	*	S	Bend	trans	-155	0.6	175.7	-128	163.9	-3.4	0	0	119.1
69	E	28.1	Very low	27.7	Very low	188 Å²	188	166.2 Å²	166.2	88%	0.879	82%	0.822	S	S	*	*	S	Bend	trans	-130.1	10.5	-167.7	-127.1	174.7	-161	0	0	117.7
70	Y	26.6	Very low	27.8	Very low	209 Å²	209	168 Å²	168	82%	0.82	82%	0.821	S	S	*	*	S	Bend	trans	-122.2	16	179.9	-112.8	-94.9	0	0	0	116
71	T	28.2	Very low	27.8	Very low	119 Å²	119	166 Å²	166	73%	0.73	82%	0.823	S	S	*	*	S	Bend	trans	-86.2	-6.3	-175.7	-40.8	0	0	0	0	114.3
72	E	29	Very low	27.7	Very low	180 Å²	180	160.1 Å²	160.1	84%	0.841	81%	0.809	S	S	*	*	S	Bend	trans	-99	-12.8	-175.9	-68.6	-161.9	140.1	0	0	115.9
73	H	29.9	Very low	27.8	Very low	153 Å²	153	158.5 Å²	158.5	71%	0.708	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	0.3	-174.1	-106.6	-72.9	0	0	0	116.2
74	K	31.3	Very low	27.8	Very low	185 Å²	185	159.6 Å²	159.6	80%	0.804	80%	0.803	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-4.8	-176.4	-160.5	163.1	-178.9	173.4	0	115.1
75	N	30.2	Very low	27.5	Very low	146 Å²	146	162.7 Å²	162.7	78%	0.781	80%	0.804	S	S	*	*	S	Bend	trans	-113.2	30.1	-172.3	-69.4	-8.4	0	0	0	114.6
76	K	29.4	Very low	27.3	Very low	166 Å²	166	158.3 Å²	158.3	72%	0.722	80%	0.797	S	S	*	*	S	Bend	trans	-135.4	8.5	-178.4	-92.1	-172.4	176.4	177.3	0	116.9
77	V	29.7	Very low	27.1	Very low	123 Å²	123	156.4 Å²	156.4	75%	0.745	79%	0.794	S	S	*	*	S	Bend	trans	-95.6	-21.7	-178.1	-177.7	0	0	0	0	112.8
78	D	29.4	Very low	26.9	Very low	158 Å²	158	157.2 Å²	157.2	85%	0.845	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	5.3	-174.8	-64.3	-38.9	0	0	0	115.5
79	E	28.7	Very low	26.7	Very low	169 Å²	169	154 Å²	154	79%	0.79	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.7	0.2	-175.1	-149.5	174.6	-164.7	0	0	114.8
80	Y	25.5	Very low	26.3	Very low	208 Å²	208	151.4 Å²	151.4	82%	0.816	78%	0.782	S	S	*	*			trans	-103.7	6.6	-179.4	-85.1	-82.2	0	0	0	115.2	S82	Y80-S82 PolarHBondContact O-N 3.48Å; Y80-S82 VanDerWaalsContact O-N 3.14Å
81	A	25.9	Very low	26.1	Very low	95 Å²	95	147 Å²	147	79%	0.785	77%	0.772	S	S	*	*	S	Bend	trans	-85.2	44.8	173.7	0	0	0	0	0	112.8
82	S	25.5	Very low	26	Very low	94 Å²	94	147.7 Å²	147.7	66%	0.657	77%	0.766	S	S	*	*	S	Bend	trans	-161.1	127	173.5	-79.7	0	0	0	0	112.7	Y80	Y80-S82 PolarHBondContact O-N 3.48Å; Y80-S82 VanDerWaalsContact O-N 3.14Å
83	N	26	Very low	25.8	Very low	145 Å²	145	144.1 Å²	144.1	78%	0.775	76%	0.761	S	S	*	*			trans	82.8	124.7	167.7	-51.5	-40.1	0	0	0	119.1
84	N	26.1	Very low	25.5	Very low	137 Å²	137	139 Å²	139	73%	0.733	75%	0.751	S	S	*	*			trans	68.6	104.4	152.9	-53	-16.7	0	0	0	116.8
85	Q	23.9	Very low	25.4	Very low	187 Å²	187	137 Å²	137	87%	0.874	74%	0.742	S	S	*	*				60.4	100.7	82.5	-74.8	-171.5	-29.1	0	0	113.8
86	G	21.2	Very low	25.3	Very low	71 Å²	71	131.3 Å²	131.3	73%	0.732	71%	0.713	S	S	*	*			trans	56.5	95.4	147.4	0	0	0	0	0	118.1
87	D	22.4	Very low	25.4	Very low	160 Å²	160	127.2 Å²	127.2	86%	0.856	70%	0.702	S	S	*	*				-165.6	150.9	113.9	-100.7	-27.3	0	0	0	112.3	V89	D87-V89 PolarHBondContact O-N 3.48Å
88	F	20.7	Very low	25.7	Very low	220 Å²	220	123.4 Å²	123.4	97%	0.965	69%	0.688	S	S	*	*			trans	-70.4	109	178.5	-82.6	-104.3	0	0	0	110.8
89	V	22.3	Very low	26.1	Very low	122 Å²	122	118 Å²	118	74%	0.739	66%	0.659	S	S	*	*			trans	-104.2	125.2	167.3	-177.8	0	0	0	0	110.3	D87 I91	D87-V89 PolarHBondContact O-N 3.48Å; V89-I91 PolarHBondContact O-N 3Å
90	N	21.1	Very low	26.6	Very low	133 Å²	133	114.6 Å²	114.6	71%	0.711	64%	0.642	S	S	*	*			trans	-79.7	99.7	-169	-144.2	-12.5	0	0	0	111.2
91	I	22.7	Very low	27.3	Very low	116 Å²	116	108.9 Å²	108.9	60%	0.595	63%	0.625	S	S	*	*			trans	-104.8	6.6	179.3	-57	175.1	0	0	0	111.7	V89 S93	V89-I91 PolarHBondContact O-N 3Å; I91-S93 VanDerWaalsContact C-N 3.26Å; I91-S93 PolarHBondContact O-N 2.91Å
92	Q	24.4	Very low	28	Very low	133 Å²	133	106.2 Å²	106.2	62%	0.621	60%	0.597	S	S	*	*	H	α-helix	trans	-64.5	-13.9	-169.1	-68.6	-166.6	-57.3	0	0	116.4	S142	Q92-S142 PolarHBondContact NE2-OG 2.85Å; Q92-S142 VanDerWaalsContact NE2-OG 3.16Å
93	S	25.8	Very low	28.7	Very low	105 Å²	105	104.6 Å²	104.6	73%	0.734	58%	0.581	S	S	*	*	H	α-helix	trans	-86.5	-25.2	-176.2	56	0	0	0	0	115.3	I91	I91-S93 VanDerWaalsContact C-N 3.26Å; I91-S93 PolarHBondContact O-N 2.91Å
94	G	24.4	Very low	29.4	Very low	47 Å²	47	102.8 Å²	102.8	49%	0.485	57%	0.571	S	S	.	*	H	α-helix	trans	-80.9	-36.6	-178	0	0	0	0	0	114.1	S96 V97 G98	G94-S96 PolarHBondContact O-N 2.94Å; G94-V97 PolarHBondContact O-N 3.48Å; G94-G98 PolarHBondContact O-N 3.02Å
95	F	27.8	Very low	30.1	Very low	143 Å²	143	102.9 Å²	102.9	63%	0.627	57%	0.567	S	S	*	*	H	α-helix	trans	-60.4	-42.8	-173.1	-109.7	-94.8	0	0	0	113.5	V97 G98 L99	F95-V97 VanDerWaalsContact C-N 3.29Å; F95-V97 PolarHBondContact O-N 3.17Å; F95-G98 PolarHBondContact O-N 2.88Å; F95-L99 PolarHBondContact O-N 2.8Å
96	S	29.2	Very low	30.6	Very low	25 Å²	25	98.3 Å²	98.3	18%	0.175	55%	0.548	C	S	.	.	H	α-helix	trans	-62.7	-35	179.3	-175.8	0	0	0	0	112.5	G94 K100 E144	G94-S96 PolarHBondContact O-N 2.94Å; S96-K100 VanDerWaalsContact O-CB 3.28Å; S96-K100 WeakPolarHBondContact O-CB 3.38Å; S96-K100 WeakPolarHBondContact O-CD 3.29Å; S96-K100 VanDerWaalsContact O-CG 3.24Å; S96-K100 WeakPolarHBondContact O-CG 3.3Å; S96-K100 PolarHBondContact O-N 2.85Å; S96-K100 WeakPolarHBondContact OG-CE 3.3Å; S96-K100 PolarHBondContact OG-NZ 3.49Å; S96-E144 VanDerWaalsContact CB-OE2 3.32Å; S96-E144 WeakPolarHBondContact CB-OE2 3.09Å; S96-E144 VanDerWaalsContact OG-CD 3.29Å; S96-E144 PolarHBondContact OG-OE1 3.13Å; S96-E144 PolarHBondContact OG-OE2 3.08Å
97	V	31.8	Very low	31	Very low	80 Å²	80	99.9 Å²	99.9	49%	0.485	54%	0.536	S	S	.	.	H	α-helix	trans	-72.4	-41.2	-179.3	-176.3	0	0	0	0	111.3	G94 F95 K100 N101	G94-V97 PolarHBondContact O-N 3.48Å; F95-V97 VanDerWaalsContact C-N 3.29Å; F95-V97 PolarHBondContact O-N 3.17Å; V97-K100 PolarHBondContact O-N 2.92Å; V97-N101 WeakPolarHBondContact O-CB 3.34Å; V97-N101 PolarHBondContact O-N 3.5Å
98	G	34.2	Very low	31.3	Very low	44 Å²	44	96.6 Å²	96.6	45%	0.454	52%	0.524	S	S	.	.	H	α-helix	trans	-60.8	-49.1	176.5	0	0	0	0	0	112.4	G94 F95 N101 L102	G94-G98 PolarHBondContact O-N 3.02Å; F95-G98 PolarHBondContact O-N 2.88Å; G98-N101 PolarHBondContact O-N 2.93Å; G98-L102 PolarHBondContact O-N 3.33Å
99	L	38.6	Very low	31.4	Very low	44 Å²	44	93.1 Å²	93.1	23%	0.23	53%	0.525	C	S	.	.	H	α-helix	trans	-64	-43.2	177.6	-162	82.7	0	0	0	111.7	F95 N101 L102 I103 L180 M183	F95-L99 PolarHBondContact O-N 2.8Å; L99-N101 VanDerWaalsContact C-N 3.35Å; L99-N101 PolarHBondContact O-N 3.14Å; L99-L102 PolarHBondContact O-N 3.5Å; L99-I103 HydrophobicContact CD2-CD1 4.08Å; L99-I103 HydrophobicContact CG-CD1 3.86Å; L99-I103 WeakPolarHBondContact O-CB 3.36Å; L99-I103 VanDerWaalsContact O-CG1 3.25Å; L99-I103 WeakPolarHBondContact O-CG1 3.31Å; L99-I103 PolarHBondContact O-N 3.25Å; L99-L180 HydrophobicContact CD1-CD1 3.77Å; L99-M183 HydrophobicContact CD1-CE 3.81Å
100	K	39.8	Very low	31.6	Very low	98 Å²	98	94.9 Å²	94.9	43%	0.426	53%	0.525	S	S	.	.	H	α-helix	trans	-60.7	-41.5	174.9	-78.9	167.1	-177.7	152.5	0	111.8	S96 V97 N104 E144	S96-K100 VanDerWaalsContact O-CB 3.28Å; S96-K100 WeakPolarHBondContact O-CB 3.38Å; S96-K100 WeakPolarHBondContact O-CD 3.29Å; S96-K100 VanDerWaalsContact O-CG 3.24Å; S96-K100 WeakPolarHBondContact O-CG 3.3Å; S96-K100 PolarHBondContact O-N 2.85Å; S96-K100 WeakPolarHBondContact OG-CE 3.3Å; S96-K100 PolarHBondContact OG-NZ 3.49Å; V97-K100 PolarHBondContact O-N 2.92Å; K100-N104 WeakPolarHBondContact O-CB 3.19Å; K100-N104 PolarHBondContact O-N 3.19Å; K100-N104 PolarHBondContact O-ND2 2.9Å; K100-E144 IonicContact NZ-OE1 3.05Å; K100-E144 PolarHBondContact NZ-OE1 3.49Å; K100-E144 IonicContact NZ-OE2 2.95Å
101	N	40.5	Very low	31.8	Very low	88 Å²	88	96.9 Å²	96.9	47%	0.471	53%	0.53	S	S	.	.	H	α-helix	trans	-66.1	-43.6	177.5	-82.2	-10.1	0	0	0	112.4	V97 G98 L99 N104 Q105	V97-N101 WeakPolarHBondContact O-CB 3.34Å; V97-N101 PolarHBondContact O-N 3.5Å; G98-N101 PolarHBondContact O-N 2.93Å; L99-N101 VanDerWaalsContact C-N 3.35Å; L99-N101 PolarHBondContact O-N 3.14Å; N101-N104 PolarHBondContact O-N 2.89Å; N101-Q105 WeakPolarHBondContact O-CG 3.45Å; N101-Q105 PolarHBondContact O-N 2.93Å
102	L	39.8	Very low	31.8	Very low	38 Å²	38	99.1 Å²	99.1	20%	0.199	54%	0.542	C	S	.	.	H	α-helix	trans	-64.2	-44.5	177.3	-153.6	82.6	0	0	0	111.5	G98 L99 N104 Q105 L106 D176 L180	G98-L102 PolarHBondContact O-N 3.33Å; L99-L102 PolarHBondContact O-N 3.5Å; L102-N104 VanDerWaalsContact C-N 3.31Å; L102-N104 PolarHBondContact O-N 3.39Å; L102-Q105 PolarHBondContact O-N 3.48Å; L102-L106 WeakPolarHBondContact O-CG 3.35Å; L102-L106 PolarHBondContact O-N 3.22Å; L102-D176 HydrophobicContact CD1-CB 4.22Å; L102-L180 HydrophobicContact CD2-CB 4.33Å; L102-L180 HydrophobicContact CD2-CD1 4.13Å
103	I	40.6	Very low	31.8	Very low	61 Å²	61	95.7 Å²	95.7	31%	0.313	54%	0.542	S	S	.	.	H	α-helix	trans	-63.1	-37.3	175.6	-69.2	168.9	0	0	0	111.5	L99 L106 W148	L99-I103 HydrophobicContact CD2-CD1 4.08Å; L99-I103 HydrophobicContact CG-CD1 3.86Å; L99-I103 WeakPolarHBondContact O-CB 3.36Å; L99-I103 VanDerWaalsContact O-CG1 3.25Å; L99-I103 WeakPolarHBondContact O-CG1 3.31Å; L99-I103 PolarHBondContact O-N 3.25Å; I103-L106 PolarHBondContact O-N 3.26Å; I103-W148 HydrophobicContact CD1-CH2 4.47Å; I103-W148 HydrophobicContact CD1-CZ2 3.99Å
104	N	39.8	Very low	31.7	Very low	107 Å²	107	97.3 Å²	97.3	57%	0.572	54%	0.54	S	S	*	.	H	α-helix	trans	-71.9	-34.6	176.3	-74.1	-21.3	0	0	0	112.4	K100 N101 L102 L106 Q107	K100-N104 WeakPolarHBondContact O-CB 3.19Å; K100-N104 PolarHBondContact O-N 3.19Å; K100-N104 PolarHBondContact O-ND2 2.9Å; N101-N104 PolarHBondContact O-N 2.89Å; L102-N104 VanDerWaalsContact C-N 3.31Å; L102-N104 PolarHBondContact O-N 3.39Å; N104-L106 PolarHBondContact O-N 2.99Å; N104-Q107 PolarHBondContact O-N 3.44Å
105	Q	41	Very low	31.8	Very low	139 Å²	139	103.4 Å²	103.4	65%	0.65	56%	0.556	S	S	*	*	H	α-helix	trans	-68.2	-23.3	174.8	-75.7	-179.5	7	0	0	112.8	N101 L102 Q107	N101-Q105 WeakPolarHBondContact O-CG 3.45Å; N101-Q105 PolarHBondContact O-N 2.93Å; L102-Q105 PolarHBondContact O-N 3.48Å; Q105-Q107 PolarHBondContact O-N 2.99Å
106	L	34.4	Very low	31.7	Very low	90 Å²	90	100.8 Å²	100.8	47%	0.471	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.8	6.2	174.1	-68	166.6	0	0	0	113.9	L102 I103 N104 L173	L102-L106 WeakPolarHBondContact O-CG 3.35Å; L102-L106 PolarHBondContact O-N 3.22Å; I103-L106 PolarHBondContact O-N 3.26Å; N104-L106 PolarHBondContact O-N 2.99Å; L106-L173 HydrophobicContact CD2-CD1 4.37Å
107	Q	28.9	Very low	31.6	Very low	104 Å²	104	107.4 Å²	107.4	49%	0.486	58%	0.583	S	S	.	*			trans	-139.1	153	169.6	-61.7	-126.4	-106	0	0	110.5	N104 Q105	N104-Q107 PolarHBondContact O-N 3.44Å; Q105-Q107 PolarHBondContact O-N 2.99Å
108	P	29.4	Very low	31.2	Very low	91 Å²	91	110 Å²	110	59%	0.591	59%	0.594	S	S	*	*			cis	-135	123.2	-7.8	33.6	-12.9	0	0	0	114.4	H110	P108-H110 PolarHBondContact O-N 3.22Å
109	C	23.5	Very low	30.6	Very low	147 Å²	147	114.2 Å²	114.2	99%	0.993	62%	0.615	S	S	*	*			trans	-82.2	93.6	157.4	-71.4	0	0	0	0	109.8
110	H	25.8	Very low	29.9	Very low	160 Å²	160	116.6 Å²	116.6	74%	0.741	63%	0.631	S	S	*	*			trans	-96	159	167.2	-87	88.1	0	0	0	111.1	P108	P108-H110 PolarHBondContact O-N 3.22Å
111	Q	24.5	Very low	29.1	Very low	174 Å²	174	117.7 Å²	117.7	81%	0.813	65%	0.646	S	S	*	*			trans	82.7	118.2	170.5	-83.8	-177.7	-37.7	0	0	119.5
112	I	23.2	Very low	28.3	Very low	163 Å²	163	120 Å²	120	84%	0.836	66%	0.659	S	S	*	*			trans	72.4	122.7	150.5	-49.3	152.9	0	0	0	115.9
113	G	23.9	Very low	27.6	Very low	61 Å²	61	126.7 Å²	126.7	63%	0.629	70%	0.695	S	S	*	*			cis	154.7	124.4	-9.6	0	0	0	0	0	112.9
114	M	25.6	Very low	26.8	Very low	140 Å²	140	128.3 Å²	128.3	69%	0.69	71%	0.711	S	S	*	*			trans	62.3	143.8	160.2	-50.8	-151.1	70.6	0	0	117	T120	M114-T120 HydrophobicContact CE-CG2 3.51Å; M114-T120 HydrophobicContact SD-CG2 4.23Å
115	E	25.7	Very low	26.1	Very low	175 Å²	175	131.3 Å²	131.3	82%	0.818	72%	0.722	S	S	*	*			cis	-139.1	168.5	4.3	-58.3	178.7	147.3	0	0	107.3
116	S	26.1	Very low	25.2	Very low	88 Å²	88	132.2 Å²	132.2	62%	0.615	73%	0.73	S	S	*	*	S	Bend	cis	-150.9	140.4	4.2	55.9	0	0	0	0	106.8
117	H	25.7	Very low	24.6	Very low	164 Å²	164	135.4 Å²	135.4	76%	0.759	75%	0.746	S	S	*	*	S	Bend		-141.8	127.2	60.5	-79.7	-74.9	0	0	0	113.9
118	N	23.6	Very low	24.2	Very low	134 Å²	134	135 Å²	135	72%	0.717	76%	0.755	S	S	*	*	S	Bend	trans	60	69	150.2	-59.1	14.7	0	0	0	118
119	C	22.8	Very low	23.9	Very low	133 Å²	133	136.8 Å²	136.8	90%	0.899	76%	0.764	S	S	*	*			trans	-139.5	60.9	154.9	-86.5	0	0	0	0	111.5
120	T	22.8	Very low	23.9	Very low	93 Å²	93	135.3 Å²	135.3	57%	0.571	76%	0.755	S	S	*	*			trans	-162.4	135.6	170.1	44.1	0	0	0	0	105.8	M114	M114-T120 HydrophobicContact CE-CG2 3.51Å; M114-T120 HydrophobicContact SD-CG2 4.23Å
121	T	24.4	Very low	24	Very low	121 Å²	121	135.1 Å²	135.1	74%	0.742	75%	0.754	S	S	*	*			cis	-125.1	170.8	1.8	52.8	0	0	0	0	107.8
122	D	23.9	Very low	24	Very low	137 Å²	137	130.3 Å²	130.3	73%	0.733	74%	0.744	S	S	*	*				-144.5	141.3	50.7	-68.1	-35	0	0	0	113.2
123	N	24.5	Very low	24.4	Very low	179 Å²	179	129.2 Å²	129.2	96%	0.957	74%	0.741	S	S	*	*			trans	-105.3	81.4	168	-84.1	-31.3	0	0	0	109.4
124	S	23.9	Very low	24.9	Very low	94 Å²	94	130.2 Å²	130.2	66%	0.657	73%	0.728	S	S	*	*			trans	-165.3	142.7	165.3	50.2	0	0	0	0	112
125	E	23.9	Very low	25.3	Very low	170 Å²	170	125.3 Å²	125.3	79%	0.794	71%	0.707	S	S	*	*			trans	72.6	101.2	169.8	-56.2	-177.1	174.6	0	0	114.8
126	I	22.2	Very low	25.8	Very low	158 Å²	158	117 Å²	117	81%	0.81	67%	0.668	S	S	*	*				56.1	105.6	69.4	-49.3	161.1	0	0	0	107.6
127	I	22.6	Very low	26.2	Very low	157 Å²	157	114.1 Å²	114.1	81%	0.805	65%	0.647	S	S	*	*				-142.7	139.8	71.8	-73.8	162.6	0	0	0	112.1
128	S	20.7	Very low	26.7	Very low	97 Å²	97	106.6 Å²	106.6	68%	0.678	61%	0.612	S	S	*	*			trans	-41.7	134	172.7	51.4	0	0	0	0	117.8
129	T	22.6	Very low	27.2	Very low	128 Å²	128	104 Å²	104	79%	0.785	60%	0.597	S	S	*	*				-172.2	108.1	110.6	29.5	0	0	0	0	113
130	S	23.5	Very low	27.9	Very low	116 Å²	116	99.9 Å²	99.9	81%	0.811	57%	0.565	S	S	*	*			trans	49.7	71	150.1	-172.2	0	0	0	0	120.3
131	E	27	Very low	28.3	Very low	155 Å²	155	101.2 Å²	101.2	72%	0.724	57%	0.569	S	S	*	*			trans	-113.2	12.2	160.2	-78.6	-137.3	111.2	0	0	114.8	K134	E131-K134 IonicContact OE1-NZ 2.74Å; E131-K134 PolarHBondContact OE1-NZ 3.22Å
132	A	25.9	Very low	28.4	Very low	73 Å²	73	99 Å²	99	60%	0.603	56%	0.558	S	S	*	*			trans	-66.6	154.1	164.4	0	0	0	0	0	111.1
133	N	30.5	Very low	28.7	Very low	141 Å²	141	98.2 Å²	98.2	75%	0.754	56%	0.563	S	S	*	*			trans	83.8	37.2	169.9	-46.8	-24	0	0	0	118.6
134	K	35.7	Very low	29	Very low	82 Å²	82	93.9 Å²	93.9	36%	0.357	54%	0.537	S	S	.	.			trans	-98.1	85.3	156.8	-68.9	172.9	-171.4	153.7	0	110.3	E131 P150 L236	E131-K134 IonicContact OE1-NZ 2.74Å; E131-K134 PolarHBondContact OE1-NZ 3.22Å; K134-P150 VanDerWaalsContact O-CD 3.31Å; K134-P150 WeakPolarHBondContact O-CD 3.47Å; K134-L236 HydrophobicContact CD-CD2 4.4Å
135	S	34	Very low	29.3	Very low	36 Å²	36	93.5 Å²	93.5	25%	0.252	53%	0.531	S	S	.	.			trans	-96.9	150	169.4	53.5	0	0	0	0	111.2	W148	S135-W148 WeakPolarHBondContact CA-O 3.32Å
136	V	35.4	Very low	30	Very low	2 Å²	2	87.2 Å²	87.2	1%	0.012	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	117	162.7	-177.5	0	0	0	0	107.6	T147 W148 P150 L153 A193 S194 V195	V136-T147 CarbonylContact O-C 3.6Å; V136-T147 WeakPolarHBondContact O-CA 3.39Å; V136-W148 HydrophobicContact CB-CB 4.35Å; V136-W148 PolarHBondContact N-O 3.3Å; V136-W148 PolarHBondContact O-N 3.44Å; V136-P150 HydrophobicContact CG2-CB 4.42Å; V136-P150 HydrophobicContact CG2-CG 4.08Å; V136-L153 HydrophobicContact CB-CD2 4.14Å; V136-L153 HydrophobicContact CG1-CD2 3.86Å; V136-L153 HydrophobicContact CG2-CD2 4.02Å; V136-A193 HydrophobicContact CG1-CB 3.51Å; V136-S194 WeakPolarHBondContact CA-O 3.36Å; V136-V195 HydrophobicContact CG2-CG2 4.43Å
137	T	35	Very low	30.7	Very low	27 Å²	27	84.2 Å²	84.2	17%	0.166	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	114.5	-178.5	-46.7	0	0	0	0	108.7	V145 T147 S194	T137-V145 HydrophobicContact CG2-CG1 3.21Å; T137-T147 HydrophobicContact CG2-CG2 4.03Å; T137-S194 WeakPolarHBondContact CB-OG 3.44Å; T137-S194 PolarHBondContact N-O 2.67Å; T137-S194 PolarHBondContact O-N 3.21Å
138	M	35.4	Very low	31.6	Very low	5 Å²	5	78.9 Å²	78.9	3%	0.025	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	121.7	176.3	-66.4	-83.6	-62.3	0	0	109.2	V145 S146 W148 I191 V192 F224	M138-V145 WeakPolarHBondContact O-CA 3.32Å; M138-S146 WeakPolarHBondContact CB-O 3.13Å; M138-S146 WeakPolarHBondContact CB-OG 3.4Å; M138-S146 PolarHBondContact N-O 3.23Å; M138-S146 PolarHBondContact O-N 3.44Å; M138-W148 HydrophobicContact CG-CG 4.37Å; M138-I191 HydrophobicContact CE-CB 4.26Å; M138-I191 HydrophobicContact CE-CG1 4.03Å; M138-I191 HydrophobicContact CE-CG2 3.32Å; M138-I191 HydrophobicContact SD-CG2 3.43Å; M138-I191 WeakPolarHBondContact SD-CG2 3.12Å; M138-V192 WeakPolarHBondContact CA-O 3.42Å; M138-F224 HydrophobicContact CE-CE2 4.07Å; M138-F224 HydrophobicContact CE-CZ 3.63Å; M138-F224 HydrophobicContact SD-CZ 4.14Å
139	I	35	Very low	32.7	Very low	80 Å²	80	78.1 Å²	78.1	41%	0.41	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.7	176	-53.7	175.7	0	0	0	108	V192	I139-V192 HydrophobicContact CB-CB 4.48Å; I139-V192 PolarHBondContact N-O 2.86Å
140	H	36.5	Very low	33.7	Very low	46 Å²	46	72.5 Å²	72.5	21%	0.213	42%	0.418	C	S	.	.			trans	-102.4	160	169.1	-64.7	-83.9	0	0	0	109.9	S142 E144	H140-S142 PolarHBondContact O-N 3.49Å; H140-E144 PolarHBondContact N-O 2.82Å
141	D	31.7	Very low	34.7	Very low	122 Å²	122	69.1 Å²	69.1	65%	0.652	40%	0.395	S	S	*	.	S	Bend	trans	-55.9	132.7	178.8	-91.4	2.6	0	0	0	111.6	S189	D141-S189 WeakPolarHBondContact OD1-CB 2.95Å; D141-S189 WeakPolarHBondContact OD2-CB 3.16Å
142	S	27.7	Very low	35.9	Very low	74 Å²	74	66.8 Å²	66.8	52%	0.517	38%	0.382	S	S	.	.	S	Bend	trans	57.2	91.2	-175	57.4	0	0	0	0	116.1	Q92 H140 E144	Q92-S142 PolarHBondContact NE2-OG 2.85Å; Q92-S142 VanDerWaalsContact NE2-OG 3.16Å; H140-S142 PolarHBondContact O-N 3.49Å; S142-E144 PolarHBondContact O-N 3.06Å
143	S	29.3	Very low	37.1	Very low	120 Å²	120	63.4 Å²	63.4	84%	0.839	35%	0.354	S	S	*	.	S	Bend	trans	71.1	-19.6	153.5	72.4	0	0	0	0	120.7
144	E	30	Very low	38.1	Very low	89 Å²	89	59.4 Å²	59.4	42%	0.416	33%	0.329	S	S	.	.			trans	-88	119.3	175.9	-70.3	-151.4	125.4	0	0	112.9	S96 K100 H140 S142	S96-E144 VanDerWaalsContact CB-OE2 3.32Å; S96-E144 WeakPolarHBondContact CB-OE2 3.09Å; S96-E144 VanDerWaalsContact OG-CD 3.29Å; S96-E144 PolarHBondContact OG-OE1 3.13Å; S96-E144 PolarHBondContact OG-OE2 3.08Å; K100-E144 IonicContact NZ-OE1 3.05Å; K100-E144 PolarHBondContact NZ-OE1 3.49Å; K100-E144 IonicContact NZ-OE2 2.95Å; H140-E144 PolarHBondContact N-O 2.82Å; S142-E144 PolarHBondContact O-N 3.06Å
145	V	30.5	Very low	39	Very low	86 Å²	86	63.3 Å²	63.3	52%	0.521	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	113.5	178.6	176.2	0	0	0	0	109	T137 M138	T137-V145 HydrophobicContact CG2-CG1 3.21Å; M138-V145 WeakPolarHBondContact O-CA 3.32Å
146	S	38.6	Very low	40.1	Very low	38 Å²	38	62.4 Å²	62.4	27%	0.266	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.2	174.9	71.4	0	0	0	0	111.3	M138 W148	M138-S146 WeakPolarHBondContact CB-O 3.13Å; M138-S146 WeakPolarHBondContact CB-OG 3.4Å; M138-S146 PolarHBondContact N-O 3.23Å; M138-S146 PolarHBondContact O-N 3.44Å; S146-W148 PolarHBondContact OG-NE1 3.29Å
147	T	36.9	Very low	41	Very low	94 Å²	94	62.4 Å²	62.4	58%	0.577	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	114.4	-179	39.8	0	0	0	0	111.1	V136 T137	V136-T147 CarbonylContact O-C 3.6Å; V136-T147 WeakPolarHBondContact O-CA 3.39Å; T137-T147 HydrophobicContact CG2-CG2 4.03Å
148	W	41.8	Very low	42	Very low	46 Å²	46	63.5 Å²	63.5	17%	0.174	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	142.3	-175.4	-71.5	68.1	0	0	0	111.4	I103 S135 V136 M138 S146 K152 L153 L156	I103-W148 HydrophobicContact CD1-CH2 4.47Å; I103-W148 HydrophobicContact CD1-CZ2 3.99Å; S135-W148 WeakPolarHBondContact CA-O 3.32Å; V136-W148 HydrophobicContact CB-CB 4.35Å; V136-W148 PolarHBondContact N-O 3.3Å; V136-W148 PolarHBondContact O-N 3.44Å; M138-W148 HydrophobicContact CG-CG 4.37Å; S146-W148 PolarHBondContact OG-NE1 3.29Å; W148-K152 HydrophobicContact CE3-CB 4.37Å; W148-L153 HydrophobicContact CB-CD1 4.49Å; W148-L153 HydrophobicContact CD2-CD1 4.13Å; W148-L153 HydrophobicContact CE3-CD1 3.97Å; W148-L153 HydrophobicContact CG-CD1 4.35Å; W148-L156 HydrophobicContact CH2-CD2 3.75Å; W148-L156 HydrophobicContact CZ3-CD2 3.78Å
149	N	43.3	Very low	43	Very low	81 Å²	81	66 Å²	66	43%	0.433	35%	0.35	S	S	.	.			trans	-72.6	129.4	164.5	-177.1	-52.1	0	0	0	108.1	S151 K152 L153	N149-S151 PolarHBondContact O-N 3.02Å; N149-S151 VanDerWaalsContact OD1-CB 3.28Å; N149-S151 WeakPolarHBondContact OD1-CB 3.44Å; N149-S151 PolarHBondContact OD1-N 3.49Å; N149-S151 PolarHBondContact OD1-OG 3.39Å; N149-K152 HydrophobicContact CB-CB 4.41Å; N149-K152 HydrophobicContact CB-CD 4.44Å; N149-K152 HydrophobicContact CB-CG 4.15Å; N149-K152 WeakPolarHBondContact O-CB 3.44Å; N149-K152 PolarHBondContact O-N 3.49Å; N149-L153 PolarHBondContact O-N 2.83Å; N149-L153 VanDerWaalsContact O-N 3.12Å
150	P	44.6	Very low	43.9	Very low	10 Å²	10	62.3 Å²	62.3	7%	0.065	33%	0.331	C	S	.	.	H	α-helix	trans	-51	-32.6	179.5	-27	31.7	0	0	0	113.9	K134 V136 Y154 L235	K134-P150 VanDerWaalsContact O-CD 3.31Å; K134-P150 WeakPolarHBondContact O-CD 3.47Å; V136-P150 HydrophobicContact CG2-CB 4.42Å; V136-P150 HydrophobicContact CG2-CG 4.08Å; P150-Y154 WeakPolarHBondContact O-CB 3.22Å; P150-Y154 PolarHBondContact O-N 2.87Å; P150-L235 HydrophobicContact CB-CD1 4.29Å; P150-L235 WeakPolarHBondContact O-CD1 3.47Å
151	S	45	Very low	44.8	Very low	45 Å²	45	62.5 Å²	62.5	32%	0.315	33%	0.331	S	S	.	.	H	α-helix	trans	-71	-33.7	178.7	-24.5	0	0	0	0	112.7	N149 R155 K232	N149-S151 PolarHBondContact O-N 3.02Å; N149-S151 VanDerWaalsContact OD1-CB 3.28Å; N149-S151 WeakPolarHBondContact OD1-CB 3.44Å; N149-S151 PolarHBondContact OD1-N 3.49Å; N149-S151 PolarHBondContact OD1-OG 3.39Å; S151-R155 PolarHBondContact O-N 3.09Å; S151-K232 WeakPolarHBondContact OG-CE 3.36Å; S151-K232 PolarHBondContact OG-NZ 3.03Å
152	K	52.1	Low	45.9	Very low	105 Å²	105	62.7 Å²	62.7	46%	0.457	33%	0.328	S	S	.	.	H	α-helix	trans	-71.9	-43	174.2	-69.8	-171.4	-176.3	-173.2	0	110.5	W148 N149 R155 L156	W148-K152 HydrophobicContact CE3-CB 4.37Å; N149-K152 HydrophobicContact CB-CB 4.41Å; N149-K152 HydrophobicContact CB-CD 4.44Å; N149-K152 HydrophobicContact CB-CG 4.15Å; N149-K152 WeakPolarHBondContact O-CB 3.44Å; N149-K152 PolarHBondContact O-N 3.49Å; K152-R155 PolarHBondContact O-N 3.31Å; K152-L156 PolarHBondContact O-N 2.92Å
153	L	51.3	Low	47.1	Very low	2 Å²	2	61.3 Å²	61.3	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-61.8	-48.4	178.2	-163.9	71.4	0	0	0	111.6	V136 W148 N149 R155 L156 C157 F224 L235	V136-L153 HydrophobicContact CB-CD2 4.14Å; V136-L153 HydrophobicContact CG1-CD2 3.86Å; V136-L153 HydrophobicContact CG2-CD2 4.02Å; W148-L153 HydrophobicContact CB-CD1 4.49Å; W148-L153 HydrophobicContact CD2-CD1 4.13Å; W148-L153 HydrophobicContact CE3-CD1 3.97Å; W148-L153 HydrophobicContact CG-CD1 4.35Å; N149-L153 PolarHBondContact O-N 2.83Å; N149-L153 VanDerWaalsContact O-N 3.12Å; L153-R155 VanDerWaalsContact C-N 3.27Å; L153-R155 PolarHBondContact O-N 2.88Å; L153-L156 PolarHBondContact O-N 3.45Å; L153-C157 PolarHBondContact O-N 3.42Å; L153-C157 PolarHBondContact O-SG 2.93Å; L153-F224 HydrophobicContact CD1-CE1 3.83Å; L153-F224 HydrophobicContact CD1-CZ 4.37Å; L153-L235 HydrophobicContact CD2-CD2 4.29Å
154	Y	50.1	Low	48.3	Very low	58 Å²	58	59.6 Å²	59.6	23%	0.227	29%	0.292	C	S	.	.	H	α-helix	trans	-54.9	-42.6	175	178.9	-100.3	0	0	0	112.6	P150 N158 C229 F230	P150-Y154 WeakPolarHBondContact O-CB 3.22Å; P150-Y154 PolarHBondContact O-N 2.87Å; Y154-N158 VanDerWaalsContact CE1-ND2 3.29Å; Y154-N158 WeakPolarHBondContact CE1-ND2 3.3Å; Y154-N158 PolarHBondContact O-N 2.83Å; Y154-N158 VanDerWaalsContact O-N 3.13Å; Y154-N158 PolarHBondContact OH-ND2 3.01Å; Y154-C229 HydrophobicContact CD2-CB 3.99Å; Y154-C229 HydrophobicContact CE2-CB 4.13Å; Y154-C229 WeakPolarHBondContact CE2-O 3.37Å; Y154-F230 PolarHBondContact OH-O 2.89Å
155	R	54.5	Low	49.2	Very low	164 Å²	164	61.9 Å²	61.9	62%	0.619	30%	0.303	S	S	*	.	H	α-helix	trans	-64.4	-48.5	177.9	-177.5	174.1	175.8	159.2	3.6	111.8	S151 K152 L153 C157 N158 E159	S151-R155 PolarHBondContact O-N 3.09Å; K152-R155 PolarHBondContact O-N 3.31Å; L153-R155 VanDerWaalsContact C-N 3.27Å; L153-R155 PolarHBondContact O-N 2.88Å; R155-C157 PolarHBondContact O-N 2.82Å; R155-N158 PolarHBondContact O-N 3.48Å; R155-N158 VanDerWaalsContact O-N 3.15Å; R155-E159 HydrophobicContact CG-CG 4.46Å; R155-E159 WeakPolarHBondContact CG-OE1 3.32Å; R155-E159 IonicContact CZ-OE1 2.68Å; R155-E159 IonicContact NE-OE1 2.86Å; R155-E159 PolarHBondContact NE-OE1 3.42Å; R155-E159 IonicContact NH2-OE1 3.35Å; R155-E159 PolarHBondContact NH2-OE1 3.49Å; R155-E159 WeakPolarHBondContact O-CG 3.39Å; R155-E159 PolarHBondContact O-N 3.27Å
156	L	57.4	Low	49.8	Very low	17 Å²	17	66.3 Å²	66.3	9%	0.089	31%	0.311	C	S	.	.	H	α-helix	trans	-58.6	-45.1	176.6	179.2	64.2	0	0	0	111.9	W148 K152 L153 N158 E159 I160 L177 L180	W148-L156 HydrophobicContact CH2-CD2 3.75Å; W148-L156 HydrophobicContact CZ3-CD2 3.78Å; K152-L156 PolarHBondContact O-N 2.92Å; L153-L156 PolarHBondContact O-N 3.45Å; L156-N158 VanDerWaalsContact C-N 3.27Å; L156-N158 PolarHBondContact O-N 3.13Å; L156-E159 PolarHBondContact O-N 2.83Å; L156-I160 HydrophobicContact CD1-CD1 4.18Å; L156-I160 HydrophobicContact CD1-CG1 4.44Å; L156-I160 HydrophobicContact CG-CD1 4Å; L156-I160 WeakPolarHBondContact O-CB 3.46Å; L156-I160 WeakPolarHBondContact O-CG1 3.33Å; L156-I160 PolarHBondContact O-N 2.6Å; L156-L177 HydrophobicContact CD1-CD2 4.43Å; L156-L180 HydrophobicContact CD1-CD2 4.43Å
157	C	53.7	Low	50.2	Low	2 Å²	2	68.1 Å²	68.1	1%	0.014	32%	0.322	C	S	.	.	H	α-helix	trans	-60.5	-36.1	176.8	-64.3	0	0	0	0	112.7	L153 R155 K161	L153-C157 PolarHBondContact O-N 3.42Å; L153-C157 PolarHBondContact O-SG 2.93Å; R155-C157 PolarHBondContact O-N 2.82Å; C157-K161 WeakPolarHBondContact O-CG 3.3Å; C157-K161 PolarHBondContact O-N 2.87Å
158	N	55.9	Low	50.8	Low	49 Å²	49	68.5 Å²	68.5	26%	0.262	32%	0.321	S	S	.	.	H	α-helix	trans	-76.2	-39.2	177.5	-77.2	-2.9	0	0	0	112.5	Y154 R155 L156 K161 Q162	Y154-N158 VanDerWaalsContact CE1-ND2 3.29Å; Y154-N158 WeakPolarHBondContact CE1-ND2 3.3Å; Y154-N158 PolarHBondContact O-N 2.83Å; Y154-N158 VanDerWaalsContact O-N 3.13Å; Y154-N158 PolarHBondContact OH-ND2 3.01Å; R155-N158 PolarHBondContact O-N 3.48Å; R155-N158 VanDerWaalsContact O-N 3.15Å; L156-N158 VanDerWaalsContact C-N 3.27Å; L156-N158 PolarHBondContact O-N 3.13Å; N158-K161 PolarHBondContact O-N 2.96Å; N158-Q162 WeakPolarHBondContact O-CG 3.18Å; N158-Q162 PolarHBondContact O-N 2.79Å
159	E	56.2	Low	51.1	Low	59 Å²	59	71.9 Å²	71.9	28%	0.276	35%	0.346	S	S	.	.	H	α-helix	trans	-62.3	-43.4	174.8	-73.8	168.2	178.9	0	0	110.4	R155 L156 K161 Q162 H163	R155-E159 HydrophobicContact CG-CG 4.46Å; R155-E159 WeakPolarHBondContact CG-OE1 3.32Å; R155-E159 IonicContact CZ-OE1 2.68Å; R155-E159 IonicContact NE-OE1 2.86Å; R155-E159 PolarHBondContact NE-OE1 3.42Å; R155-E159 IonicContact NH2-OE1 3.35Å; R155-E159 PolarHBondContact NH2-OE1 3.49Å; R155-E159 WeakPolarHBondContact O-CG 3.39Å; R155-E159 PolarHBondContact O-N 3.27Å; L156-E159 PolarHBondContact O-N 2.83Å; E159-K161 PolarHBondContact O-N 3.16Å; E159-Q162 PolarHBondContact O-N 3.38Å; E159-H163 PolarHBondContact O-CD2 3.09Å; E159-H163 VanDerWaalsContact O-CD2 3.32Å; E159-H163 PolarHBondContact O-N 3Å; E159-H163 VanDerWaalsContact O-N 3.08Å
160	I	53.9	Low	51.1	Low	1 Å²	1	75.6 Å²	75.6	1%	0.005	37%	0.366	C	S	.	.	H	α-helix	trans	-54.2	-50.3	170.7	-78.1	168.8	0	0	0	111.8	L156 H163 Q164 L177 L181 F224	L156-I160 HydrophobicContact CD1-CD1 4.18Å; L156-I160 HydrophobicContact CD1-CG1 4.44Å; L156-I160 HydrophobicContact CG-CD1 4Å; L156-I160 WeakPolarHBondContact O-CB 3.46Å; L156-I160 WeakPolarHBondContact O-CG1 3.33Å; L156-I160 PolarHBondContact O-N 2.6Å; I160-H163 PolarHBondContact O-N 3.01Å; I160-Q164 WeakPolarHBondContact O-CG 3.4Å; I160-Q164 PolarHBondContact O-N 3.33Å; I160-L177 HydrophobicContact CG1-CD2 4.07Å; I160-L181 HydrophobicContact CD1-CD2 4.22Å; I160-L181 HydrophobicContact CG1-CD2 4.43Å; I160-L181 HydrophobicContact CG2-CD1 4.2Å; I160-L181 HydrophobicContact CG2-CD2 3.82Å; I160-L181 HydrophobicContact CG2-CG 4.48Å; I160-F224 HydrophobicContact CD1-CB 4.14Å
161	K	55.9	Low	51.5	Low	50 Å²	50	76.3 Å²	76.3	22%	0.217	37%	0.372	C	S	.	.	H	α-helix	trans	-65.7	-40.1	-178.5	-74.9	176.1	-174.2	-175.5	0	112.7	C157 N158 E159 H163 Q164 E165 A225 I227	C157-K161 WeakPolarHBondContact O-CG 3.3Å; C157-K161 PolarHBondContact O-N 2.87Å; N158-K161 PolarHBondContact O-N 2.96Å; E159-K161 PolarHBondContact O-N 3.16Å; K161-H163 VanDerWaalsContact C-N 3.34Å; K161-H163 PolarHBondContact O-N 3.32Å; K161-Q164 PolarHBondContact O-N 3.04Å; K161-E165 PolarHBondContact O-N 3.35Å; K161-A225 WeakPolarHBondContact CE-O 3.44Å; K161-I227 PolarHBondContact NZ-O 3.1Å
162	Q	54.3	Low	51.8	Low	127 Å²	127	81.3 Å²	81.3	59%	0.593	39%	0.387	S	S	*	.	H	α-helix	trans	-63	-40.9	176.9	-75.1	-179.1	-6.7	0	0	111.8	N158 E159 E165 Y166	N158-Q162 WeakPolarHBondContact O-CG 3.18Å; N158-Q162 PolarHBondContact O-N 2.79Å; E159-Q162 PolarHBondContact O-N 3.38Å; Q162-E165 PolarHBondContact O-N 3.3Å; Q162-Y166 PolarHBondContact O-N 3.22Å
163	H	53.5	Low	51.5	Low	44 Å²	44	80.3 Å²	80.3	20%	0.204	39%	0.387	C	S	.	.	H	α-helix	trans	-72.7	-25.4	175.2	-80.2	-73.6	0	0	0	113.8	E159 I160 K161 Y166 P167 L177	E159-H163 PolarHBondContact O-CD2 3.09Å; E159-H163 VanDerWaalsContact O-CD2 3.32Å; E159-H163 PolarHBondContact O-N 3Å; E159-H163 VanDerWaalsContact O-N 3.08Å; I160-H163 PolarHBondContact O-N 3.01Å; K161-H163 VanDerWaalsContact C-N 3.34Å; K161-H163 PolarHBondContact O-N 3.32Å; H163-Y166 CarbonylContact O-C 3.47Å; H163-P167 WeakPolarHBondContact O-CA 3.3Å; H163-L177 HydrophobicContact CB-CD1 4.24Å; H163-L177 WeakPolarHBondContact CD2-CD1 3.38Å
164	Q	54	Low	51.2	Low	85 Å²	85	80.4 Å²	80.4	40%	0.397	39%	0.388	S	S	.	.	H	α-helix	trans	-71.2	-39.7	169.5	-75.4	179.9	-34.9	0	0	112.6	I160 K161	I160-Q164 WeakPolarHBondContact O-CG 3.4Å; I160-Q164 PolarHBondContact O-N 3.33Å; K161-Q164 PolarHBondContact O-N 3.04Å
165	E	48.9	Very low	51.3	Low	136 Å²	136	81.7 Å²	81.7	64%	0.636	40%	0.402	S	S	*	.	H	α-helix	trans	-74.5	-31.2	176.3	-71.1	-177.2	176	0	0	112.8	K161 Q162	K161-E165 PolarHBondContact O-N 3.35Å; Q162-E165 PolarHBondContact O-N 3.3Å
166	Y	44.1	Very low	51.1	Low	179 Å²	179	75.9 Å²	75.9	70%	0.702	38%	0.383	S	S	*	.	S	Bend	trans	-137	79.6	-178.3	-59	-88.4	0	0	0	111	Q162 H163 D168	Q162-Y166 PolarHBondContact O-N 3.22Å; H163-Y166 CarbonylContact O-C 3.47Å; Y166-D168 PolarHBondContact O-N 3.28Å
167	P	47.5	Very low	50.7	Low	77 Å²	77	75.6 Å²	75.6	50%	0.5	38%	0.381	S	S	.	.			trans	-69.2	104.8	175.1	27.3	-33.7	0	0	0	110.3	H163 V169	H163-P167 WeakPolarHBondContact O-CA 3.3Å; P167-V169 WeakPolarHBondContact O-CG2 3.47Å; P167-V169 PolarHBondContact O-N 3.45Å; P167-V169 VanDerWaalsContact O-N 3.13Å
168	D	49.2	Very low	50.5	Low	102 Å²	102	79.4 Å²	79.4	55%	0.545	40%	0.401	S	S	.	.			trans	-79.3	90.7	168.3	-168.2	7.9	0	0	0	108.8	Y166 D170 S171 S174	Y166-D168 PolarHBondContact O-N 3.28Å; D168-D170 PolarHBondContact O-N 2.86Å; D168-D170 VanDerWaalsContact O-N 3.09Å; D168-S171 PolarHBondContact O-N 3.1Å; D168-S171 PolarHBondContact O-OG 2.94Å; D168-S174 WeakPolarHBondContact O-CB 3.39Å
169	V	48.3	Very low	50.3	Low	116 Å²	116	81.9 Å²	81.9	70%	0.703	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.5	-163.2	-171.6	0	0	0	0	113.1	P167	P167-V169 WeakPolarHBondContact O-CG2 3.47Å; P167-V169 PolarHBondContact O-N 3.45Å; P167-V169 VanDerWaalsContact O-N 3.13Å
170	D	42.4	Very low	50	Low	160 Å²	160	79.7 Å²	79.7	86%	0.856	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	4	-176.5	-64.8	-39.8	0	0	0	113.7	D168	D168-D170 PolarHBondContact O-N 2.86Å; D168-D170 VanDerWaalsContact O-N 3.09Å
171	S	54.2	Low	49.8	Very low	25 Å²	25	80.4 Å²	80.4	18%	0.175	41%	0.407	C	S	.	.			trans	-89.3	130.5	-179.5	72	0	0	0	0	112.9	D168 L173 S174 T175	D168-S171 PolarHBondContact O-N 3.1Å; D168-S171 PolarHBondContact O-OG 2.94Å; S171-L173 PolarHBondContact O-N 3.07Å; S171-S174 PolarHBondContact O-N 2.91Å; S171-S174 VanDerWaalsContact O-N 3.11Å; S171-S174 WeakPolarHBondContact OG-CB 3.38Å; S171-S174 PolarHBondContact OG-N 3.16Å; S171-S174 VanDerWaalsContact OG-N 3.12Å; S171-T175 PolarHBondContact O-N 3.3Å; S171-T175 VanDerWaalsContact O-N 3.07Å; S171-T175 PolarHBondContact O-OG1 3.3Å
172	K	50.3	Low	49.4	Very low	149 Å²	149	81.9 Å²	81.9	65%	0.648	42%	0.418	S	S	*	.	H	α-helix	trans	-54.4	-40	170.7	-175.8	177.4	179.3	178.4	0	111.2	S174 T175 D176	K172-S174 PolarHBondContact O-N 3.33Å; K172-T175 WeakPolarHBondContact O-CB 3.48Å; K172-T175 PolarHBondContact O-N 3.49Å; K172-T175 VanDerWaalsContact O-N 3.13Å; K172-D176 WeakPolarHBondContact O-CB 3.46Å; K172-D176 VanDerWaalsContact O-CG 3.3Å; K172-D176 PolarHBondContact O-N 3.33Å
173	L	46.5	Very low	49	Very low	85 Å²	85	78.9 Å²	78.9	45%	0.445	40%	0.404	S	S	.	.	H	α-helix	trans	-59.9	-43.3	176.5	-171.6	69.6	0	0	0	112.8	L106 S171 T175 D176 L177	L106-L173 HydrophobicContact CD2-CD1 4.37Å; S171-L173 PolarHBondContact O-N 3.07Å; L173-T175 VanDerWaalsContact C-N 3.32Å; L173-D176 PolarHBondContact O-N 3.29Å; L173-L177 HydrophobicContact CD1-CD1 4.49Å; L173-L177 HydrophobicContact CG-CD1 4.07Å; L173-L177 VanDerWaalsContact O-CB 3.3Å; L173-L177 WeakPolarHBondContact O-CB 3.45Å; L173-L177 WeakPolarHBondContact O-CG 3.39Å; L173-L177 PolarHBondContact O-N 3.49Å
174	S	45.5	Very low	48.5	Very low	4 Å²	4	77.7 Å²	77.7	3%	0.028	40%	0.399	C	S	.	.	H	α-helix	trans	-66.8	-35.9	174.7	-168.5	0	0	0	0	111.5	D168 S171 K172 I178	D168-S174 WeakPolarHBondContact O-CB 3.39Å; S171-S174 PolarHBondContact O-N 2.91Å; S171-S174 VanDerWaalsContact O-N 3.11Å; S171-S174 WeakPolarHBondContact OG-CB 3.38Å; S171-S174 PolarHBondContact OG-N 3.16Å; S171-S174 VanDerWaalsContact OG-N 3.12Å; K172-S174 PolarHBondContact O-N 3.33Å; S174-I178 VanDerWaalsContact O-CB 3.3Å; S174-I178 WeakPolarHBondContact O-CB 3.28Å; S174-I178 WeakPolarHBondContact O-CD1 3.21Å; S174-I178 WeakPolarHBondContact O-CG1 3.47Å; S174-I178 PolarHBondContact O-N 3.27Å
175	T	50.8	Low	48	Very low	85 Å²	85	77 Å²	77	52%	0.521	40%	0.398	S	S	.	.	H	α-helix	trans	-64.7	-47.5	176	-54.3	0	0	0	0	110.9	S171 K172 L173 I178 L179	S171-T175 PolarHBondContact O-N 3.3Å; S171-T175 VanDerWaalsContact O-N 3.07Å; S171-T175 PolarHBondContact O-OG1 3.3Å; K172-T175 WeakPolarHBondContact O-CB 3.48Å; K172-T175 PolarHBondContact O-N 3.49Å; K172-T175 VanDerWaalsContact O-N 3.13Å; L173-T175 VanDerWaalsContact C-N 3.32Å; T175-I178 PolarHBondContact O-N 3.47Å; T175-L179 WeakPolarHBondContact O-CB 3.42Å; T175-L179 PolarHBondContact O-N 3.28Å
176	D	49.8	Very low	47.5	Very low	41 Å²	41	77 Å²	77	22%	0.219	40%	0.403	C	S	.	.	H	α-helix	trans	-65.1	-38.4	178.8	-69.5	-21.7	0	0	0	111.9	L102 K172 L173 L180	L102-D176 HydrophobicContact CD1-CB 4.22Å; K172-D176 WeakPolarHBondContact O-CB 3.46Å; K172-D176 VanDerWaalsContact O-CG 3.3Å; K172-D176 PolarHBondContact O-N 3.33Å; L173-D176 PolarHBondContact O-N 3.29Å; D176-L180 VanDerWaalsContact O-CB 3.29Å; D176-L180 WeakPolarHBondContact O-CB 3.49Å; D176-L180 PolarHBondContact O-N 2.89Å
177	L	49.5	Very low	47.3	Very low	11 Å²	11	70 Å²	70	6%	0.058	38%	0.379	C	S	.	.	H	α-helix	trans	-70.1	-39.7	174.9	-78.5	169.5	0	0	0	112.9	L156 I160 H163 L173 L179 L180 L181	L156-L177 HydrophobicContact CD1-CD2 4.43Å; I160-L177 HydrophobicContact CG1-CD2 4.07Å; H163-L177 HydrophobicContact CB-CD1 4.24Å; H163-L177 WeakPolarHBondContact CD2-CD1 3.38Å; L173-L177 HydrophobicContact CD1-CD1 4.49Å; L173-L177 HydrophobicContact CG-CD1 4.07Å; L173-L177 VanDerWaalsContact O-CB 3.3Å; L173-L177 WeakPolarHBondContact O-CB 3.45Å; L173-L177 WeakPolarHBondContact O-CG 3.39Å; L173-L177 PolarHBondContact O-N 3.49Å; L177-L179 VanDerWaalsContact C-N 3.35Å; L177-L180 HydrophobicContact CD2-CD2 4.41Å; L177-L180 PolarHBondContact O-N 2.97Å; L177-L181 WeakPolarHBondContact O-CB 3.25Å; L177-L181 VanDerWaalsContact O-CG 3.26Å; L177-L181 WeakPolarHBondContact O-CG 3.41Å; L177-L181 PolarHBondContact O-N 2.79Å
178	I	49.6	Very low	46.5	Very low	83 Å²	83	71.5 Å²	71.5	43%	0.426	40%	0.399	S	S	.	.	H	α-helix	trans	-64.8	-41.9	173.5	-71.7	164.9	0	0	0	110.1	S174 T175 L181 N182	S174-I178 VanDerWaalsContact O-CB 3.3Å; S174-I178 WeakPolarHBondContact O-CB 3.28Å; S174-I178 WeakPolarHBondContact O-CD1 3.21Å; S174-I178 WeakPolarHBondContact O-CG1 3.47Å; S174-I178 PolarHBondContact O-N 3.27Å; T175-I178 PolarHBondContact O-N 3.47Å; I178-L181 PolarHBondContact O-N 3.24Å; I178-N182 WeakPolarHBondContact O-CB 3.34Å; I178-N182 VanDerWaalsContact O-CG 3.23Å; I178-N182 PolarHBondContact O-N 2.91Å; I178-N182 PolarHBondContact O-ND2 2.89Å
179	L	52.6	Low	45.7	Very low	101 Å²	101	67.2 Å²	67.2	53%	0.529	38%	0.377	S	S	.	.	H	α-helix	trans	-62.5	-45.3	175.5	-165.2	77	0	0	0	111.3	T175 L177 L181 N182 M183	T175-L179 WeakPolarHBondContact O-CB 3.42Å; T175-L179 PolarHBondContact O-N 3.28Å; L177-L179 VanDerWaalsContact C-N 3.35Å; L179-L181 PolarHBondContact O-N 3.04Å; L179-N182 PolarHBondContact O-N 2.87Å; L179-M183 HydrophobicContact CD2-SD 4.35Å; L179-M183 HydrophobicContact CG-SD 4.11Å; L179-M183 WeakPolarHBondContact O-CB 3.16Å; L179-M183 VanDerWaalsContact O-CG 3.23Å; L179-M183 WeakPolarHBondContact O-CG 3.22Å; L179-M183 PolarHBondContact O-N 2.76Å
180	L	48.9	Very low	45	Very low	13 Å²	13	64.6 Å²	64.6	7%	0.068	36%	0.362	C	S	.	.	H	α-helix	trans	-59.6	-44.4	174.8	-175.9	74.7	0	0	0	111.7	L99 L102 L156 D176 L177 M183 L184	L99-L180 HydrophobicContact CD1-CD1 3.77Å; L102-L180 HydrophobicContact CD2-CB 4.33Å; L102-L180 HydrophobicContact CD2-CD1 4.13Å; L156-L180 HydrophobicContact CD1-CD2 4.43Å; D176-L180 VanDerWaalsContact O-CB 3.29Å; D176-L180 WeakPolarHBondContact O-CB 3.49Å; D176-L180 PolarHBondContact O-N 2.89Å; L177-L180 HydrophobicContact CD2-CD2 4.41Å; L177-L180 PolarHBondContact O-N 2.97Å; L180-M183 PolarHBondContact O-N 2.9Å; L180-L184 HydrophobicContact CD1-CD1 4.17Å; L180-L184 HydrophobicContact CD2-CD1 4.47Å; L180-L184 HydrophobicContact CG-CD1 3.83Å; L180-L184 WeakPolarHBondContact O-CB 3.15Å; L180-L184 WeakPolarHBondContact O-CD1 3.43Å; L180-L184 WeakPolarHBondContact O-CG 3.33Å; L180-L184 PolarHBondContact O-N 3.36Å
181	L	49.6	Very low	44.6	Very low	16 Å²	16	57.2 Å²	57.2	8%	0.084	32%	0.323	C	S	.	.	H	α-helix	trans	-62.7	-46	177.4	-78.6	165	0	0	0	111.8	I160 L177 I178 L179 L184 N185	I160-L181 HydrophobicContact CD1-CD2 4.22Å; I160-L181 HydrophobicContact CG1-CD2 4.43Å; I160-L181 HydrophobicContact CG2-CD1 4.2Å; I160-L181 HydrophobicContact CG2-CD2 3.82Å; I160-L181 HydrophobicContact CG2-CG 4.48Å; L177-L181 WeakPolarHBondContact O-CB 3.25Å; L177-L181 VanDerWaalsContact O-CG 3.26Å; L177-L181 WeakPolarHBondContact O-CG 3.41Å; L177-L181 PolarHBondContact O-N 2.79Å; I178-L181 PolarHBondContact O-N 3.24Å; L179-L181 PolarHBondContact O-N 3.04Å; L181-L184 PolarHBondContact O-N 2.98Å; L181-N185 WeakPolarHBondContact O-CB 3.3Å; L181-N185 PolarHBondContact O-N 2.84Å; L181-N185 PolarHBondContact O-ND2 2.86Å
182	N	47	Very low	43.6	Very low	81 Å²	81	56.8 Å²	56.8	43%	0.433	32%	0.319	S	S	.	.	H	α-helix	trans	-63.6	-47.4	177.1	-67.4	-12.5	0	0	0	110.8	I178 L179 L184 N185 D186	I178-N182 WeakPolarHBondContact O-CB 3.34Å; I178-N182 VanDerWaalsContact O-CG 3.23Å; I178-N182 PolarHBondContact O-N 2.91Å; I178-N182 PolarHBondContact O-ND2 2.89Å; L179-N182 PolarHBondContact O-N 2.87Å; N182-L184 PolarHBondContact O-N 2.84Å; N182-N185 PolarHBondContact O-N 3.32Å; N182-D186 WeakPolarHBondContact O-CB 3.17Å; N182-D186 PolarHBondContact O-N 3.36Å
183	M	46.1	Very low	42.8	Very low	63 Å²	63	50.4 Å²	50.4	31%	0.31	29%	0.294	S	S	.	.	H	α-helix	trans	-55.8	-35.9	175.1	-77.3	168.7	44.4	0	0	113.7	L99 L179 L180	L99-M183 HydrophobicContact CD1-CE 3.81Å; L179-M183 HydrophobicContact CD2-SD 4.35Å; L179-M183 HydrophobicContact CG-SD 4.11Å; L179-M183 WeakPolarHBondContact O-CB 3.16Å; L179-M183 VanDerWaalsContact O-CG 3.23Å; L179-M183 WeakPolarHBondContact O-CG 3.22Å; L179-M183 PolarHBondContact O-N 2.76Å; L180-M183 PolarHBondContact O-N 2.9Å
184	L	43.3	Very low	42.1	Very low	20 Å²	20	46.8 Å²	46.8	11%	0.105	28%	0.276	C	S	.	.	H	α-helix	trans	-80.6	-36.5	179.3	-68.3	165.7	0	0	0	111.9	L180 L181 N182 S187 I191 F224	L180-L184 HydrophobicContact CD1-CD1 4.17Å; L180-L184 HydrophobicContact CD2-CD1 4.47Å; L180-L184 HydrophobicContact CG-CD1 3.83Å; L180-L184 WeakPolarHBondContact O-CB 3.15Å; L180-L184 WeakPolarHBondContact O-CD1 3.43Å; L180-L184 WeakPolarHBondContact O-CG 3.33Å; L180-L184 PolarHBondContact O-N 3.36Å; L181-L184 PolarHBondContact O-N 2.98Å; N182-L184 PolarHBondContact O-N 2.84Å; L184-S187 PolarHBondContact O-N 3.49Å; L184-S187 PolarHBondContact O-OG 3.32Å; L184-I191 HydrophobicContact CB-CD1 4.38Å; L184-I191 HydrophobicContact CD2-CD1 4.15Å; L184-F224 HydrophobicContact CD1-CD2 3.78Å; L184-F224 HydrophobicContact CD1-CE2 3.84Å; L184-F224 HydrophobicContact CD2-CE2 4.41Å
185	N	43.3	Very low	41.4	Very low	70 Å²	70	47.6 Å²	47.6	37%	0.374	28%	0.28	S	S	.	.	H	α-helix	trans	-73.2	-35	177	-69.1	-25.9	0	0	0	112.8	L181 N182 S187 N222	L181-N185 WeakPolarHBondContact O-CB 3.3Å; L181-N185 PolarHBondContact O-N 2.84Å; L181-N185 PolarHBondContact O-ND2 2.86Å; N182-N185 PolarHBondContact O-N 3.32Å; N185-S187 PolarHBondContact O-N 2.53Å; N185-N222 PolarHBondContact OD1-O 2.77Å
186	D	40	Very low	40.6	Very low	137 Å²	137	47.5 Å²	47.5	73%	0.733	27%	0.273	S	S	*	.	S	Bend	trans	-73.8	-16.9	175.9	-72.6	-22	0	0	0	112.3	N182 A188	N182-D186 WeakPolarHBondContact O-CB 3.17Å; N182-D186 PolarHBondContact O-N 3.36Å; D186-A188 PolarHBondContact O-N 3.47Å; D186-A188 VanDerWaalsContact O-N 3.11Å
187	S	38.9	Very low	39.7	Very low	30 Å²	30	50 Å²	50	21%	0.21	29%	0.286	C	S	.	.			trans	-72	104.7	170.5	78.8	0	0	0	0	109.9	L184 N185 S189	L184-S187 PolarHBondContact O-N 3.49Å; L184-S187 PolarHBondContact O-OG 3.32Å; N185-S187 PolarHBondContact O-N 2.53Å; S187-S189 PolarHBondContact O-N 3.14Å
188	A	30.9	Very low	38.7	Very low	109 Å²	109	52.3 Å²	52.3	90%	0.901	31%	0.312	S	S	*	.			trans	-62	-5.4	177.5	0	0	0	0	0	114	D186	D186-A188 PolarHBondContact O-N 3.47Å; D186-A188 VanDerWaalsContact O-N 3.11Å
189	S	32.5	Very low	37.6	Very low	12 Å²	12	53.6 Å²	53.6	8%	0.084	33%	0.328	C	S	.	.	S	Bend	trans	-85	122.4	176.5	56.6	0	0	0	0	111.9	D141 S187 I191	D141-S189 WeakPolarHBondContact OD1-CB 2.95Å; D141-S189 WeakPolarHBondContact OD2-CB 3.16Å; S187-S189 PolarHBondContact O-N 3.14Å; S189-I191 PolarHBondContact O-N 3.41Å
190	P	32.4	Very low	36.5	Very low	62 Å²	62	58.4 Å²	58.4	40%	0.403	35%	0.345	S	S	.	.			trans	-66.5	126.6	178.3	27.4	-33.9	0	0	0	110.8	V192	P190-V192 PolarHBondContact O-N 3.29Å
191	I	35.9	Very low	35.4	Very low	4 Å²	4	65 Å²	65	2%	0.021	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	108	168.9	-73.6	142.6	0	0	0	108.3	M138 L184 S189 K220 T221 F224	M138-I191 HydrophobicContact CE-CB 4.26Å; M138-I191 HydrophobicContact CE-CG1 4.03Å; M138-I191 HydrophobicContact CE-CG2 3.32Å; M138-I191 HydrophobicContact SD-CG2 3.43Å; M138-I191 WeakPolarHBondContact SD-CG2 3.12Å; L184-I191 HydrophobicContact CB-CD1 4.38Å; L184-I191 HydrophobicContact CD2-CD1 4.15Å; S189-I191 PolarHBondContact O-N 3.41Å; I191-K220 WeakPolarHBondContact O-CA 3.39Å; I191-T221 WeakPolarHBondContact CA-O 3.48Å; I191-T221 VanDerWaalsContact CB-O 3.24Å; I191-T221 WeakPolarHBondContact CB-O 3.3Å; I191-T221 PolarHBondContact N-O 3.25Å; I191-T221 PolarHBondContact O-N 3.49Å; I191-T221 VanDerWaalsContact O-N 3.1Å; I191-F224 HydrophobicContact CD1-CD2 3.97Å; I191-F224 HydrophobicContact CD1-CE2 3.63Å; I191-F224 HydrophobicContact CG1-CE2 4.39Å; I191-F224 HydrophobicContact CG2-CE2 4.35Å; I191-F224 HydrophobicContact CG2-CZ 4.29Å
192	V	32	Very low	34.4	Very low	16 Å²	16	69.8 Å²	69.8	10%	0.097	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	110.5	171.5	-178.8	0	0	0	0	107.8	M138 I139 P190 M218 K220	M138-V192 WeakPolarHBondContact CA-O 3.42Å; I139-V192 HydrophobicContact CB-CB 4.48Å; I139-V192 PolarHBondContact N-O 2.86Å; P190-V192 PolarHBondContact O-N 3.29Å; V192-M218 HydrophobicContact CG1-CB 4.43Å; V192-M218 HydrophobicContact CG1-CE 3.55Å; V192-M218 HydrophobicContact CG1-CG 4.21Å; V192-M218 HydrophobicContact CG2-CE 4.16Å; V192-K220 HydrophobicContact CG2-CG 4.28Å
193	A	34.5	Very low	33.5	Very low	15 Å²	15	72.6 Å²	72.6	12%	0.124	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	110.6	164.6	0	0	0	0	0	108.8	V136 M219	V136-A193 HydrophobicContact CG1-CB 3.51Å; A193-M219 HydrophobicContact CB-CB 4.35Å; A193-M219 PolarHBondContact N-O 3.45Å; A193-M219 PolarHBondContact O-N 3.02Å
194	S	30.4	Very low	32.6	Very low	10 Å²	10	75.4 Å²	75.4	7%	0.07	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132	174	63	0	0	0	0	113.2	V136 T137 N217	V136-S194 WeakPolarHBondContact CA-O 3.36Å; T137-S194 WeakPolarHBondContact CB-OG 3.44Å; T137-S194 PolarHBondContact N-O 2.67Å; T137-S194 PolarHBondContact O-N 3.21Å; S194-N217 VanDerWaalsContact CA-O 3.27Å; S194-N217 WeakPolarHBondContact CA-O 3.47Å
195	V	31.8	Very low	31.8	Very low	20 Å²	20	80.9 Å²	80.9	12%	0.121	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	114.9	177.2	179.9	0	0	0	0	109.3	V136 L197 N217 L236	V136-V195 HydrophobicContact CG2-CG2 4.43Å; V195-L197 PolarHBondContact O-N 2.81Å; V195-N217 PolarHBondContact N-O 3.02Å; V195-N217 VanDerWaalsContact N-O 3.13Å; V195-L236 HydrophobicContact CG1-CD2 4.24Å
196	K	32.9	Very low	31.2	Very low	83 Å²	83	84.7 Å²	84.7	36%	0.361	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	112.3	172.5	-169.2	157.4	-176.1	149.4	0	109.6	E214 Y216	K196-E214 IonicContact NZ-OE1 2.9Å; K196-E214 PolarHBondContact NZ-OE1 2.84Å; K196-E214 IonicContact NZ-OE2 3.89Å; K196-E214 PolarHBondContact NZ-OE2 3.29Å; K196-Y216 PolarHBondContact NZ-OH 3.34Å
197	L	31.2	Very low	30.6	Very low	95 Å²	95	85.4 Å²	85.4	50%	0.497	50%	0.498	S	S	.	.			trans	-85.4	114	170.7	-83.7	157.3	0	0	0	108.9	V195 N217	V195-L197 PolarHBondContact O-N 2.81Å; L197-N217 VanDerWaalsContact CD1-ND2 3.31Å; L197-N217 WeakPolarHBondContact CD1-ND2 3.48Å
198	G	28.4	Very low	30.2	Very low	58 Å²	58	91.7 Å²	91.7	60%	0.598	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-62	143.8	174.6	0	0	0	0	0	112.3	K200	G198-K200 PolarHBondContact O-N 2.92Å
199	S	28	Very low	30	Very low	111 Å²	111	94.4 Å²	94.4	78%	0.776	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-56.6	124.7	-178.8	-53.2	0	0	0	0	112
200	K	28.9	Very low	29.7	Very low	202 Å²	202	102.5 Å²	102.5	88%	0.878	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-73.4	126.2	161.8	-76.6	-170.1	173.6	-172.3	0	108.4	G198 S202	G198-K200 PolarHBondContact O-N 2.92Å; K200-S202 PolarHBondContact O-N 3.03Å
201	N	26.4	Very low	29.4	Very low	152 Å²	152	103.8 Å²	103.8	81%	0.813	58%	0.576	S	S	*	*			trans	-57.1	109.3	173.7	-71.9	-20.2	0	0	0	110.2
202	S	27.8	Very low	28.8	Very low	115 Å²	115	111.7 Å²	111.7	80%	0.804	62%	0.618	S	S	*	*			trans	-83.2	118.2	163.4	175.5	0	0	0	0	107.7	K200	K200-S202 PolarHBondContact O-N 3.03Å
203	I	27.9	Very low	28.5	Very low	140 Å²	140	121 Å²	121	72%	0.718	65%	0.653	S	S	*	*			trans	-92.5	123.3	172	-68.8	175.2	0	0	0	108
204	N	26.5	Very low	28.1	Very low	123 Å²	123	125.6 Å²	125.6	66%	0.658	67%	0.672	S	S	*	*			trans	71.4	127.1	163.3	-63.9	-8	0	0	0	120
205	N	26.4	Very low	27.8	Very low	134 Å²	134	127.8 Å²	127.8	72%	0.717	70%	0.696	S	S	*	*			trans	56.4	112.4	137.6	-53.1	-0.2	0	0	0	116.6
206	D	31.3	Very low	27.6	Very low	151 Å²	151	132.6 Å²	132.6	81%	0.807	71%	0.713	S	S	*	*				-151.6	164.8	55	-90.9	-41.7	0	0	0	114.7	N208	D206-N208 PolarHBondContact O-N 2.82Å
207	N	27.9	Very low	27.7	Very low	151 Å²	151	131.5 Å²	131.5	81%	0.807	71%	0.711	S	S	*	*			trans	-62.9	116.2	178.6	-60.4	-64.6	0	0	0	112.1
208	N	30.5	Very low	27.6	Very low	162 Å²	162	132.2 Å²	132.2	87%	0.866	71%	0.713	S	S	*	*			trans	-163	141.2	139.3	-98	-41.5	0	0	0	111.9	D206 Q210	D206-N208 PolarHBondContact O-N 2.82Å; N208-Q210 PolarHBondContact O-N 3.07Å
209	N	25.6	Very low	27.9	Very low	166 Å²	166	132.8 Å²	132.8	89%	0.888	70%	0.701	S	S	*	*			trans	-71	111	-171.9	-69.7	-45.3	0	0	0	112.6
210	Q	26.8	Very low	28.3	Very low	183 Å²	183	134.1 Å²	134.1	86%	0.855	69%	0.693	S	S	*	*			trans	-149.9	141	157.2	-120.8	160.3	-15.7	0	0	111.7	N208 N212	N208-Q210 PolarHBondContact O-N 3.07Å; Q210-N212 PolarHBondContact O-N 3.14Å
211	S	27.2	Very low	28.8	Very low	89 Å²	89	125.3 Å²	125.3	62%	0.622	66%	0.656	S	S	*	*			trans	-65.6	122.9	-168.8	52.1	0	0	0	0	113.2	Y213	S211-Y213 PolarHBondContact O-N 3.04Å; S211-Y213 VanDerWaalsContact O-N 3.13Å
212	N	22.8	Very low	29.2	Very low	169 Å²	169	123 Å²	123	90%	0.904	64%	0.644	S	S	*	*			trans	-64.4	106.9	171.8	-73.9	-30.8	0	0	0	111.1	Q210	Q210-N212 PolarHBondContact O-N 3.14Å
213	Y	25.1	Very low	30	Very low	211 Å²	211	118.7 Å²	118.7	83%	0.827	61%	0.612	S	S	*	*			trans	-83.2	116.5	166.9	-87.6	-94.5	0	0	0	110.1	S211 G215	S211-Y213 PolarHBondContact O-N 3.04Å; S211-Y213 VanDerWaalsContact O-N 3.13Å; Y213-G215 PolarHBondContact O-N 2.76Å
214	E	25.9	Very low	30.8	Very low	112 Å²	112	112.4 Å²	112.4	52%	0.523	58%	0.579	S	S	.	*			trans	-65.8	116	166.1	-71.2	-165.5	143.6	0	0	109.3	K196 Y216	K196-E214 IonicContact NZ-OE1 2.9Å; K196-E214 PolarHBondContact NZ-OE1 2.84Å; K196-E214 IonicContact NZ-OE2 3.89Å; K196-E214 PolarHBondContact NZ-OE2 3.29Å; E214-Y216 HydrophobicContact CB-CE2 3.86Å; E214-Y216 VanDerWaalsContact O-CD2 3.27Å; E214-Y216 WeakPolarHBondContact O-CD2 3.32Å; E214-Y216 PolarHBondContact O-N 3.25Å; E214-Y216 PolarHBondContact OE2-OH 3.29Å
215	G	25.6	Very low	31.7	Very low	56 Å²	56	107.6 Å²	107.6	58%	0.577	56%	0.556	S	S	*	*			trans	-79	106.3	-179.2	0	0	0	0	0	113	Y213	Y213-G215 PolarHBondContact O-N 2.76Å
216	Y	27.7	Very low	32.5	Very low	121 Å²	121	105.9 Å²	105.9	48%	0.475	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	116.1	170.2	-66.4	-95.9	0	0	0	110.1	K196 E214 M218	K196-Y216 PolarHBondContact NZ-OH 3.34Å; E214-Y216 HydrophobicContact CB-CE2 3.86Å; E214-Y216 VanDerWaalsContact O-CD2 3.27Å; E214-Y216 WeakPolarHBondContact O-CD2 3.32Å; E214-Y216 PolarHBondContact O-N 3.25Å; E214-Y216 PolarHBondContact OE2-OH 3.29Å; Y216-M218 PolarHBondContact O-N 3.46Å
217	N	33.2	Very low	33.1	Very low	60 Å²	60	98.9 Å²	98.9	32%	0.321	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	111.5	169.1	-71.6	-23.8	0	0	0	108.7	S194 V195 L197 T239	S194-N217 VanDerWaalsContact CA-O 3.27Å; S194-N217 WeakPolarHBondContact CA-O 3.47Å; V195-N217 PolarHBondContact N-O 3.02Å; V195-N217 VanDerWaalsContact N-O 3.13Å; L197-N217 VanDerWaalsContact CD1-ND2 3.31Å; L197-N217 WeakPolarHBondContact CD1-ND2 3.48Å; N217-T239 HydrophobicContact CB-CG2 4.42Å; N217-T239 VanDerWaalsContact ND2-CG2 3.28Å; N217-T239 WeakPolarHBondContact ND2-CG2 3.26Å
218	M	29.5	Very low	33.8	Very low	111 Å²	111	96.7 Å²	96.7	55%	0.547	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.7	178.9	-65.2	172.1	75.1	0	0	111.3	V192 Y216	V192-M218 HydrophobicContact CG1-CB 4.43Å; V192-M218 HydrophobicContact CG1-CE 3.55Å; V192-M218 HydrophobicContact CG1-CG 4.21Å; V192-M218 HydrophobicContact CG2-CE 4.16Å; Y216-M218 PolarHBondContact O-N 3.46Å
219	M	36	Very low	34.4	Very low	70 Å²	70	89.4 Å²	89.4	35%	0.345	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.5	160.4	-170.9	173.3	-172.7	0	0	107.7	A193 I227	A193-M219 HydrophobicContact CB-CB 4.35Å; A193-M219 PolarHBondContact N-O 3.45Å; A193-M219 PolarHBondContact O-N 3.02Å; M219-I227 HydrophobicContact CE-CG1 4.48Å
220	K	36.1	Very low	34.9	Very low	139 Å²	139	85.2 Å²	85.2	60%	0.604	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.2	172.1	-69	-172.9	177.9	-177	0	108.5	I191 V192	I191-K220 WeakPolarHBondContact O-CA 3.39Å; V192-K220 HydrophobicContact CG2-CG 4.28Å
221	T	39.2	Very low	35.3	Very low	17 Å²	17	79.5 Å²	79.5	10%	0.104	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	151.8	165.8	-174.5	0	0	0	0	108.7	I191 N223 I227	I191-T221 WeakPolarHBondContact CA-O 3.48Å; I191-T221 VanDerWaalsContact CB-O 3.24Å; I191-T221 WeakPolarHBondContact CB-O 3.3Å; I191-T221 PolarHBondContact N-O 3.25Å; I191-T221 PolarHBondContact O-N 3.49Å; I191-T221 VanDerWaalsContact O-N 3.1Å; T221-N223 PolarHBondContact OG1-N 3.47Å; T221-N223 VanDerWaalsContact OG1-N 3.11Å; T221-N223 PolarHBondContact OG1-O 3.16Å; T221-I227 HydrophobicContact CG2-CD1 4.14Å; T221-I227 HydrophobicContact CG2-CG1 4.06Å
222	N	33.5	Very low	35.9	Very low	102 Å²	102	80.1 Å²	80.1	55%	0.545	40%	0.397	S	S	.	.	S	Bend	trans	-105.7	3.9	167.9	57.7	-22.3	0	0	0	111.8	N185	N185-N222 PolarHBondContact OD1-O 2.77Å
223	N	46.3	Very low	36.6	Very low	25 Å²	25	76.2 Å²	76.2	13%	0.134	38%	0.376	C	S	.	.			trans	-140.8	123.3	179	-179.3	-13.4	0	0	0	109.7	T221 A225 N226	T221-N223 PolarHBondContact OG1-N 3.47Å; T221-N223 VanDerWaalsContact OG1-N 3.11Å; T221-N223 PolarHBondContact OG1-O 3.16Å; N223-A225 VanDerWaalsContact C-N 3.33Å; N223-A225 PolarHBondContact O-N 3.17Å; N223-A225 VanDerWaalsContact OD1-CB 3.23Å; N223-A225 WeakPolarHBondContact OD1-CB 3.36Å; N223-A225 PolarHBondContact OD1-N 2.77Å; N223-N226 WeakPolarHBondContact O-CB 3.25Å; N223-N226 PolarHBondContact O-N 3.01Å
224	F	44.6	Very low	37.3	Very low	9 Å²	9	67.7 Å²	67.7	4%	0.039	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-69	-26.9	179.8	-94.5	-83.1	0	0	0	113.7	M138 L153 I160 L184 I191 N226 I227	M138-F224 HydrophobicContact CE-CE2 4.07Å; M138-F224 HydrophobicContact CE-CZ 3.63Å; M138-F224 HydrophobicContact SD-CZ 4.14Å; L153-F224 HydrophobicContact CD1-CE1 3.83Å; L153-F224 HydrophobicContact CD1-CZ 4.37Å; I160-F224 HydrophobicContact CD1-CB 4.14Å; L184-F224 HydrophobicContact CD1-CD2 3.78Å; L184-F224 HydrophobicContact CD1-CE2 3.84Å; L184-F224 HydrophobicContact CD2-CE2 4.41Å; I191-F224 HydrophobicContact CD1-CD2 3.97Å; I191-F224 HydrophobicContact CD1-CE2 3.63Å; I191-F224 HydrophobicContact CG1-CE2 4.39Å; I191-F224 HydrophobicContact CG2-CE2 4.35Å; I191-F224 HydrophobicContact CG2-CZ 4.29Å; F224-N226 PolarHBondContact O-N 3.33Å; F224-I227 HydrophobicContact CD1-CD1 3.62Å; F224-I227 HydrophobicContact CE1-CD1 3.9Å; F224-I227 HydrophobicContact CG-CD1 4.48Å; F224-I227 WeakPolarHBondContact O-CB 3.4Å; F224-I227 PolarHBondContact O-N 3.1Å; F224-I227 VanDerWaalsContact O-N 3.11Å
225	A	43.6	Very low	38	Very low	21 Å²	21	63.2 Å²	63.2	17%	0.174	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-62.1	-31.6	175.7	0	0	0	0	0	112	K161 N223 I227	K161-A225 WeakPolarHBondContact CE-O 3.44Å; N223-A225 VanDerWaalsContact C-N 3.33Å; N223-A225 PolarHBondContact O-N 3.17Å; N223-A225 VanDerWaalsContact OD1-CB 3.23Å; N223-A225 WeakPolarHBondContact OD1-CB 3.36Å; N223-A225 PolarHBondContact OD1-N 2.77Å; A225-I227 PolarHBondContact O-N 3.03Å; A225-I227 VanDerWaalsContact O-N 3.16Å
226	N	43.9	Very low	38.5	Very low	98 Å²	98	62.8 Å²	62.8	52%	0.524	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-69.6	-5.5	177.2	-65.6	-9.7	0	0	0	113.8	N223 F224 E228	N223-N226 WeakPolarHBondContact O-CB 3.25Å; N223-N226 PolarHBondContact O-N 3.01Å; F224-N226 PolarHBondContact O-N 3.33Å; N226-E228 VanDerWaalsContact C-N 3.31Å; N226-E228 PolarHBondContact O-N 2.69Å
227	I	44.4	Very low	38.7	Very low	5 Å²	5	61.8 Å²	61.8	3%	0.026	31%	0.312	C	S	.	.			trans	-76.9	85.1	174.1	-58.1	-175	0	0	0	108.8	K161 M219 T221 F224 A225 C229	K161-I227 PolarHBondContact NZ-O 3.1Å; M219-I227 HydrophobicContact CE-CG1 4.48Å; T221-I227 HydrophobicContact CG2-CD1 4.14Å; T221-I227 HydrophobicContact CG2-CG1 4.06Å; F224-I227 HydrophobicContact CD1-CD1 3.62Å; F224-I227 HydrophobicContact CE1-CD1 3.9Å; F224-I227 HydrophobicContact CG-CD1 4.48Å; F224-I227 WeakPolarHBondContact O-CB 3.4Å; F224-I227 PolarHBondContact O-N 3.1Å; F224-I227 VanDerWaalsContact O-N 3.11Å; A225-I227 PolarHBondContact O-N 3.03Å; A225-I227 VanDerWaalsContact O-N 3.16Å; I227-C229 HydrophobicContact CG2-CB 4.41Å; I227-C229 VanDerWaalsContact CG2-SG 3.59Å; I227-C229 PolarHBondContact O-N 3.36Å
228	E	42.3	Very low	38.7	Very low	105 Å²	105	63.6 Å²	63.6	49%	0.491	33%	0.325	S	S	.	.			trans	-68.3	92.2	167.8	-72.3	-173.8	-177	0	0	110.1	N226 F230	N226-E228 VanDerWaalsContact C-N 3.31Å; N226-E228 PolarHBondContact O-N 2.69Å; E228-F230 HydrophobicContact CB-CE2 4.29Å; E228-F230 HydrophobicContact CB-CZ 4.19Å; E228-F230 HydrophobicContact CG-CZ 4.46Å
229	C	42.3	Very low	38.6	Very low	9 Å²	9	60.2 Å²	60.2	6%	0.061	31%	0.311	C	S	.	.			trans	-126	119.5	169.2	-69.6	0	0	0	0	108.6	Y154 I227 D234 L235	Y154-C229 HydrophobicContact CD2-CB 3.99Å; Y154-C229 HydrophobicContact CE2-CB 4.13Å; Y154-C229 WeakPolarHBondContact CE2-O 3.37Å; I227-C229 HydrophobicContact CG2-CB 4.41Å; I227-C229 VanDerWaalsContact CG2-SG 3.59Å; I227-C229 PolarHBondContact O-N 3.36Å; C229-D234 HydrophobicContact CB-CB 4.26Å; C229-L235 HydrophobicContact CB-CG 4.42Å
230	F	36.6	Very low	38.3	Very low	78 Å²	78	62.3 Å²	62.3	34%	0.342	32%	0.323	S	S	.	.	S	Bend	trans	-94.7	-20.6	-179.8	-53.6	-70.9	0	0	0	111.2	Y154 E228 D234 P320	Y154-F230 PolarHBondContact OH-O 2.89Å; E228-F230 HydrophobicContact CB-CE2 4.29Å; E228-F230 HydrophobicContact CB-CZ 4.19Å; E228-F230 HydrophobicContact CG-CZ 4.46Å; F230-D234 VanDerWaalsContact CA-OD2 3.28Å; F230-D234 WeakPolarHBondContact CA-OD2 2.93Å; F230-D234 WeakPolarHBondContact CB-OD2 3.37Å; F230-D234 PolarHBondContact N-OD2 2.57Å; F230-P320 HydrophobicContact CD1-CG 4.41Å; F230-P320 HydrophobicContact CE1-CB 3.86Å; F230-P320 HydrophobicContact CE1-CG 3.82Å; F230-P320 WeakPolarHBondContact CE2-O 3.31Å; F230-P320 HydrophobicContact CZ-CB 4.18Å; F230-P320 WeakPolarHBondContact CZ-O 3.27Å
231	N	35.8	Very low	38	Very low	62 Å²	62	63.1 Å²	63.1	33%	0.332	33%	0.333	S	S	.	.	S	Bend	trans	-148.9	169.9	169.5	70.4	81.1	0	0	0	112.1	N233 D234	N231-N233 PolarHBondContact O-N 3.04Å; N231-N233 VanDerWaalsContact OD1-CA 3.23Å; N231-N233 WeakPolarHBondContact OD1-CA 3.49Å; N231-N233 WeakPolarHBondContact OD1-CB 3.43Å; N231-N233 PolarHBondContact OD1-N 3.15Å; N231-D234 PolarHBondContact N-OD2 2.89Å; N231-D234 PolarHBondContact ND2-OD1 2.92Å; N231-D234 PolarHBondContact ND2-OD2 3.07Å; N231-D234 WeakPolarHBondContact O-CB 2.98Å; N231-D234 PolarHBondContact O-N 3.41Å; N231-D234 PolarHBondContact OD1-N 3.12Å
232	K	38.6	Very low	37.5	Very low	102 Å²	102	64.8 Å²	64.8	44%	0.443	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-27.7	178.5	174.4	174.6	169.8	172.9	0	114.3	S151	S151-K232 WeakPolarHBondContact OG-CE 3.36Å; S151-K232 PolarHBondContact OG-NZ 3.03Å
233	N	37.5	Very low	37.2	Very low	88 Å²	88	69 Å²	69	47%	0.471	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-14.5	177.2	-49.8	-36.9	0	0	0	112.4	N231 L235 L236 N237	N231-N233 PolarHBondContact O-N 3.04Å; N231-N233 VanDerWaalsContact OD1-CA 3.23Å; N231-N233 WeakPolarHBondContact OD1-CA 3.49Å; N231-N233 WeakPolarHBondContact OD1-CB 3.43Å; N231-N233 PolarHBondContact OD1-N 3.15Å; N233-L235 VanDerWaalsContact C-N 3.3Å; N233-L235 PolarHBondContact O-N 2.97Å; N233-L236 CarbonylContact O-C 3.43Å; N233-L236 WeakPolarHBondContact O-CA 3.45Å; N233-L236 WeakPolarHBondContact O-CB 3.26Å; N233-L236 PolarHBondContact O-N 3.05Å; N233-N237 WeakPolarHBondContact O-CB 3.32Å; N233-N237 PolarHBondContact O-N 3.24Å; N233-N237 PolarHBondContact O-ND2 3.02Å
234	D	41.4	Very low	36.4	Very low	32 Å²	32	72.9 Å²	72.9	17%	0.171	39%	0.39	C	S	.	.	H	α-helix	trans	-71	-30.8	176.6	-59.4	-22.4	0	0	0	111.2	C229 F230 N231 L236 N237 T238	C229-D234 HydrophobicContact CB-CB 4.26Å; F230-D234 VanDerWaalsContact CA-OD2 3.28Å; F230-D234 WeakPolarHBondContact CA-OD2 2.93Å; F230-D234 WeakPolarHBondContact CB-OD2 3.37Å; F230-D234 PolarHBondContact N-OD2 2.57Å; N231-D234 PolarHBondContact N-OD2 2.89Å; N231-D234 PolarHBondContact ND2-OD1 2.92Å; N231-D234 PolarHBondContact ND2-OD2 3.07Å; N231-D234 WeakPolarHBondContact O-CB 2.98Å; N231-D234 PolarHBondContact O-N 3.41Å; N231-D234 PolarHBondContact OD1-N 3.12Å; D234-L236 PolarHBondContact O-N 3.38Å; D234-L236 VanDerWaalsContact O-N 3.15Å; D234-N237 PolarHBondContact O-N 3.4Å; D234-T238 WeakPolarHBondContact O-CG2 3.37Å; D234-T238 PolarHBondContact O-N 2.83Å; D234-T238 PolarHBondContact O-OG1 2.94Å
235	L	39.2	Very low	35.6	Very low	18 Å²	18	78.8 Å²	78.8	9%	0.094	42%	0.418	C	S	.	.	H	α-helix	trans	-61.6	-13	164.8	-74.5	164	0	0	0	113.7	P150 L153 C229 N233	P150-L235 HydrophobicContact CB-CD1 4.29Å; P150-L235 WeakPolarHBondContact O-CD1 3.47Å; L153-L235 HydrophobicContact CD2-CD2 4.29Å; C229-L235 HydrophobicContact CB-CG 4.42Å; N233-L235 VanDerWaalsContact C-N 3.3Å; N233-L235 PolarHBondContact O-N 2.97Å
236	L	36	Very low	34.9	Very low	47 Å²	47	86.4 Å²	86.4	25%	0.246	45%	0.452	C	S	.	.	H	α-helix	trans	-112	-27.1	178.5	-64.7	167.4	0	0	0	112.6	K134 V195 N233 D234 T239	K134-L236 HydrophobicContact CD-CD2 4.4Å; V195-L236 HydrophobicContact CG1-CD2 4.24Å; N233-L236 CarbonylContact O-C 3.43Å; N233-L236 WeakPolarHBondContact O-CA 3.45Å; N233-L236 WeakPolarHBondContact O-CB 3.26Å; N233-L236 PolarHBondContact O-N 3.05Å; D234-L236 PolarHBondContact O-N 3.38Å; D234-L236 VanDerWaalsContact O-N 3.15Å; L236-T239 VanDerWaalsContact O-CG2 3.31Å; L236-T239 WeakPolarHBondContact O-CG2 3.36Å; L236-T239 PolarHBondContact O-OG1 2.78Å
237	N	33.3	Very low	34	Very low	99 Å²	99	90.8 Å²	90.8	53%	0.529	47%	0.47	S	S	.	.	H	α-helix	trans	-99.4	-5.3	-167.7	-75	-19.1	0	0	0	115	N233 D234 T239	N233-N237 WeakPolarHBondContact O-CB 3.32Å; N233-N237 PolarHBondContact O-N 3.24Å; N233-N237 PolarHBondContact O-ND2 3.02Å; D234-N237 PolarHBondContact O-N 3.4Å; N237-T239 PolarHBondContact O-N 2.83Å
238	T	31.6	Very low	33.1	Very low	98 Å²	98	94.8 Å²	94.8	60%	0.601	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	14.8	169.3	40.5	0	0	0	0	114.1	D234	D234-T238 WeakPolarHBondContact O-CG2 3.37Å; D234-T238 PolarHBondContact O-N 2.83Å; D234-T238 PolarHBondContact O-OG1 2.94Å
239	T	29.3	Very low	32.3	Very low	41 Å²	41	96.6 Å²	96.6	25%	0.252	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	2.6	-158.2	57	0	0	0	0	114.6	N217 L236 N237	N217-T239 HydrophobicContact CB-CG2 4.42Å; N217-T239 VanDerWaalsContact ND2-CG2 3.28Å; N217-T239 WeakPolarHBondContact ND2-CG2 3.26Å; L236-T239 VanDerWaalsContact O-CG2 3.31Å; L236-T239 WeakPolarHBondContact O-CG2 3.36Å; L236-T239 PolarHBondContact O-OG1 2.78Å; N237-T239 PolarHBondContact O-N 2.83Å
240	N	27.8	Very low	31.3	Very low	113 Å²	113	104.1 Å²	104.1	60%	0.604	56%	0.556	S	S	*	*	S	Bend	trans	-107.4	-8.9	178.1	-81.5	-28.5	0	0	0	115.2
241	I	30.1	Very low	30.8	Very low	157 Å²	157	109.2 Å²	109.2	81%	0.805	58%	0.578	S	S	*	*	S	Bend	trans	-92.9	-31	-178.2	-61.8	177.6	0	0	0	112.2	R243	I241-R243 VanDerWaalsContact C-N 3.27Å; I241-R243 PolarHBondContact O-N 3.27Å
242	G	30.1	Very low	30.3	Very low	51 Å²	51	113.5 Å²	113.5	53%	0.526	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-78.6	1.1	176.4	0	0	0	0	0	115.7	S244	G242-S244 VanDerWaalsContact C-N 3.32Å; G242-S244 PolarHBondContact O-N 2.82Å
243	R	27.2	Very low	29.6	Very low	190 Å²	190	113.6 Å²	113.6	72%	0.717	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-83.4	-5.8	-170.6	-134.7	172.4	-172.6	152.4	2.2	114.5	I241	I241-R243 VanDerWaalsContact C-N 3.27Å; I241-R243 PolarHBondContact O-N 3.27Å
244	S	28.9	Very low	29	Very low	107 Å²	107	116.3 Å²	116.3	75%	0.748	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-94.9	-13.1	-177.9	-168.9	0	0	0	0	114.4	G242	G242-S244 VanDerWaalsContact C-N 3.32Å; G242-S244 PolarHBondContact O-N 2.82Å
245	E	28.8	Very low	28.2	Very low	133 Å²	133	121.5 Å²	121.5	62%	0.621	66%	0.655	S	S	*	*	S	Bend	trans	-120.1	-6.1	-164.4	-64.5	-177.1	148.1	0	0	114.5
246	M	26.9	Very low	27.5	Very low	181 Å²	181	127.1 Å²	127.1	89%	0.892	69%	0.685	S	S	*	*	S	Bend	trans	-99	10.7	-179.7	-75	-149	150.1	0	0	115.8
247	Q	26.7	Very low	26.9	Very low	191 Å²	191	131.9 Å²	131.9	89%	0.893	71%	0.711	S	S	*	*	S	Bend	trans	-90.2	5	176	-71.7	-169.3	-16.5	0	0	114.4
248	S	24.7	Very low	26.4	Very low	88 Å²	88	135.9 Å²	135.9	62%	0.615	73%	0.726	S	S	*	*	S	Bend	trans	-143.6	80.9	-174.9	53.6	0	0	0	0	113
249	T	25.2	Very low	26	Very low	143 Å²	143	138.6 Å²	138.6	88%	0.877	74%	0.736	S	S	*	*			trans	172.9	58	145	30.8	0	0	0	0	112.7	K251	T249-K251 PolarHBondContact O-N 2.82Å
250	N	22.8	Very low	25.8	Very low	167 Å²	167	142 Å²	142	89%	0.893	75%	0.753	S	S	*	*			trans	-79.4	99.5	161.5	-98.7	-22	0	0	0	109.6
251	K	25.4	Very low	25.6	Very low	185 Å²	185	147.4 Å²	147.4	80%	0.804	77%	0.771	S	S	*	*			trans	-177.8	118.3	157	-105.6	164.5	-175.7	-179.9	0	112.8	T249	T249-K251 PolarHBondContact O-N 2.82Å
252	I	24.4	Very low	25.3	Very low	153 Å²	153	144.6 Å²	144.6	79%	0.785	76%	0.762	S	S	*	*			trans	68	140.9	141.7	-53.8	162.1	0	0	0	116.1
253	S	25.1	Very low	25.1	Very low	103 Å²	103	150.1 Å²	150.1	72%	0.72	77%	0.773	S	S	*	*			cis	-168	161.4	-30	58.8	0	0	0	0	107.2
254	N	23.6	Very low	25	Very low	146 Å²	146	149.6 Å²	149.6	78%	0.781	78%	0.784	S	S	*	*			trans	-36.2	131.7	177.7	-58.9	-8.5	0	0	0	116
255	N	26.1	Very low	24.9	Very low	140 Å²	140	152.5 Å²	152.5	75%	0.749	79%	0.786	S	S	*	*				177.7	130.7	110.9	-87.1	-18	0	0	0	112.8
256	N	24.2	Very low	24.7	Very low	136 Å²	136	155.2 Å²	155.2	73%	0.727	80%	0.799	S	S	*	*			trans	46.8	126.6	143.3	-56.9	-7	0	0	0	122.1
257	N	23.6	Very low	24.7	Very low	148 Å²	148	155.9 Å²	155.9	79%	0.791	80%	0.796	S	S	*	*			trans	85	138.7	148.9	-57.1	-2.5	0	0	0	119.4
258	E	22.6	Very low	24.7	Very low	182 Å²	182	154 Å²	154	85%	0.85	79%	0.792	S	S	*	*			trans	-6.6	117.4	160.4	-56.7	170.7	123.2	0	0	116.9
259	L	23.7	Very low	24.8	Very low	155 Å²	155	156.3 Å²	156.3	81%	0.812	80%	0.802	S	S	*	*			trans	-173.8	152.2	136.1	-123.2	65	0	0	0	113
260	L	23.7	Very low	24.8	Very low	113 Å²	113	154.9 Å²	154.9	59%	0.592	80%	0.798	S	S	*	*			trans	49.6	105.3	160.2	-90.9	76.7	0	0	0	119.7	T262	L260-T262 WeakPolarHBondContact CD2-OG1 2.99Å; L260-T262 VanDerWaalsContact CG-OG1 3.3Å; L260-T262 WeakPolarHBondContact CG-OG1 3.49Å
261	F	23.3	Very low	24.9	Very low	226 Å²	226	150.1 Å²	150.1	99%	0.991	79%	0.788	S	S	*	*			trans	-104.1	57.4	149.1	-127.6	-84	0	0	0	110.1
262	T	24.4	Very low	25	Very low	99 Å²	99	149.3 Å²	149.3	61%	0.607	79%	0.792	S	S	*	*			trans	-134.8	154.1	173	49.5	0	0	0	0	109.8	L260	L260-T262 WeakPolarHBondContact CD2-OG1 2.99Å; L260-T262 VanDerWaalsContact CG-OG1 3.3Å; L260-T262 WeakPolarHBondContact CG-OG1 3.49Å
263	E	25.5	Very low	25	Very low	166 Å²	166	152.3 Å²	152.3	78%	0.776	80%	0.8	S	S	*	*			trans	75.1	54.5	176.7	-53.6	-170	130.4	0	0	119
264	L	24.8	Very low	25.2	Very low	180 Å²	180	157.2 Å²	157.2	94%	0.942	81%	0.808	S	S	*	*			trans	-140.5	48.8	153.6	-82.6	-173.3	0	0	0	113.8
265	Q	27.1	Very low	25.3	Very low	168 Å²	168	154.9 Å²	154.9	79%	0.785	80%	0.803	S	S	*	*	S	Bend	trans	-126.4	0.2	170.7	-103.5	-156.8	0	0	0	116.9	K267	Q265-K267 PolarHBondContact O-N 3.49Å
266	E	25.7	Very low	25.4	Very low	190 Å²	190	155.3 Å²	155.3	89%	0.888	81%	0.806	S	S	*	*	S	Bend	trans	-91.9	12.7	-171.3	-70.1	-156.3	133	0	0	117
267	K	27.3	Very low	25.4	Very low	194 Å²	194	156.2 Å²	156.2	84%	0.843	81%	0.81	S	S	*	*	S	Bend	trans	-129.6	7.2	-173.5	-79	-175.2	177.9	171.4	0	118.5	Q265	Q265-K267 PolarHBondContact O-N 3.49Å
268	L	25.9	Very low	25.5	Very low	153 Å²	153	154.4 Å²	154.4	80%	0.801	81%	0.81	S	S	*	*	S	Bend	trans	-117.5	10.2	-174.7	-79	168.2	0	0	0	116.5
269	T	26.3	Very low	25.8	Very low	136 Å²	136	154 Å²	154	83%	0.834	81%	0.811	S	S	*	*	S	Bend	trans	-114.3	4.2	-177.1	49.8	0	0	0	0	115.2
270	S	25.1	Very low	25.9	Very low	112 Å²	112	153.5 Å²	153.5	78%	0.783	81%	0.809	S	S	*	*	S	Bend	trans	-117.1	55.3	-176.4	68	0	0	0	0	114.2
271	G	25.9	Very low	25.9	Very low	67 Å²	67	153.4 Å²	153.4	69%	0.691	81%	0.814	S	S	*	*	S	Bend	trans	165.2	78.5	170.5	0	0	0	0	0	116.7
272	L	26	Very low	26	Very low	169 Å²	169	150.8 Å²	150.8	89%	0.885	81%	0.809	S	S	*	*	S	Bend	trans	-170.8	40.9	151.3	-103.7	159.6	0	0	0	112.4
273	F	25.5	Very low	26	Very low	215 Å²	215	149.3 Å²	149.3	94%	0.943	81%	0.814	S	S	*	*			trans	-136.9	77.4	169	-89.8	-76.6	0	0	0	111
274	K	28.8	Very low	26.2	Very low	206 Å²	206	149.9 Å²	149.9	90%	0.896	82%	0.821	S	S	*	*			trans	-153.6	138.8	161.6	-63.5	-175.7	-177.6	178.2	0	105.7
275	S	25.4	Very low	26.1	Very low	97 Å²	97	149.4 Å²	149.4	68%	0.678	81%	0.813	S	S	*	*			cis	-164.4	164.2	-12.8	49.6	0	0	0	0	106.6
276	N	28.3	Very low	26.2	Very low	150 Å²	150	149.5 Å²	149.5	80%	0.802	81%	0.814	S	S	*	*			trans	154.5	99.6	134.4	-76.2	-0.6	0	0	0	111
277	D	24.2	Very low	26.1	Very low	154 Å²	154	148.3 Å²	148.3	82%	0.824	81%	0.808	S	S	*	*			trans	-69.5	168.1	160	-65.7	-68	0	0	0	111.6
278	S	25.8	Very low	26.1	Very low	111 Å²	111	147.2 Å²	147.2	78%	0.776	81%	0.81	S	S	*	*			trans	83.8	112	161.7	-39.1	0	0	0	0	117.3
279	I	29.5	Very low	25.9	Very low	172 Å²	172	150.8 Å²	150.8	88%	0.882	81%	0.812	S	S	*	*				-169.6	153	97.3	-91.9	158.3	0	0	0	110.5
280	N	25	Very low	26.1	Very low	145 Å²	145	152.2 Å²	152.2	78%	0.775	81%	0.809	S	S	*	*			trans	-85.8	146.1	-167.5	-86.2	-33.3	0	0	0	115.2
281	T	24.4	Very low	26.4	Very low	112 Å²	112	154.7 Å²	154.7	69%	0.687	81%	0.809	S	S	*	*				51	144.4	128.6	-31.1	0	0	0	0	122.1
282	L	26.3	Very low	26.4	Very low	170 Å²	170	159.1 Å²	159.1	89%	0.89	81%	0.811	S	S	*	*			trans	74.3	114	173.5	-58.4	125.3	0	0	0	113.6
283	G	24	Very low	26.5	Very low	69 Å²	69	157.3 Å²	157.3	71%	0.711	81%	0.81	S	S	*	*			cis	119.2	159.8	47.8	0	0	0	0	0	108.7
284	I	28.2	Very low	26.5	Very low	178 Å²	178	153.5 Å²	153.5	91%	0.913	80%	0.795	S	S	*	*			trans	83.5	123.2	172.6	-54.4	175.4	0	0	0	116.7
285	Q	23.5	Very low	26.6	Very low	169 Å²	169	149.5 Å²	149.5	79%	0.79	79%	0.793	S	S	*	*			trans	-75.6	146.4	169.6	-56.8	157.1	-55.1	0	0	110.2
286	H	28.6	Very low	26.5	Very low	171 Å²	171	152 Å²	152	79%	0.792	79%	0.791	S	S	*	*				-173.9	154.5	122.2	-109.1	-73.9	0	0	0	112.9
287	E	23.3	Very low	26.5	Very low	165 Å²	165	152.8 Å²	152.8	77%	0.771	80%	0.795	S	S	*	*			trans	-70.1	140.1	176.9	-53.3	147.6	102.9	0	0	112.2
288	I	28.6	Very low	26.5	Very low	171 Å²	171	154.8 Å²	154.8	88%	0.877	79%	0.792	S	S	*	*			trans	-135.4	125.4	139	-62.2	-173.1	0	0	0	109
289	R	21.3	Very low	26.6	Very low	228 Å²	228	155.7 Å²	155.7	86%	0.86	79%	0.788	S	S	*	*			trans	-104.3	137.2	176.5	-176	-173.2	-167.9	-175.3	5.4	108.2
290	Q	29.8	Very low	26.4	Very low	165 Å²	165	154.2 Å²	154.2	77%	0.771	79%	0.788	S	S	*	*			trans	144.4	140.8	166.4	-85.3	167.2	101.3	0	0	109.3
291	Q	31.6	Very low	26.5	Very low	164 Å²	164	151.7 Å²	151.7	77%	0.766	78%	0.782	S	S	*	*			cis	-149.2	156.1	-4	-92.2	156.6	35.2	0	0	108.5
292	Q	26.3	Very low	26.8	Very low	160 Å²	160	151.5 Å²	151.5	75%	0.748	78%	0.776	S	S	*	*			trans	-96.2	166.1	167.3	-78.8	-176.9	-23.1	0	0	111
293	P	28.9	Very low	27	Very low	131 Å²	131	153.3 Å²	153.3	85%	0.851	78%	0.777	S	S	*	*				-110.3	141.9	129.7	-9.4	28.1	0	0	0	112.3
294	Q	25.4	Very low	27.2	Very low	135 Å²	135	157.8 Å²	157.8	63%	0.631	78%	0.777	S	S	*	*			trans	-85.6	141.6	179.3	-63.4	-176.6	-7.9	0	0	111.9	K296	Q294-K296 VanDerWaalsContact OE1-CE 3.31Å
295	S	30.4	Very low	27.2	Very low	123 Å²	123	154.8 Å²	154.8	86%	0.86	77%	0.769	S	S	*	*			trans	-124.4	115.9	143.8	50.3	0	0	0	0	108.1
296	K	23.9	Very low	27.8	Very low	148 Å²	148	153 Å²	153	64%	0.643	77%	0.77	S	S	*	*			trans	-90.4	120.3	174.1	-70.1	174.3	178.5	170.7	0	108	Q294	Q294-K296 VanDerWaalsContact OE1-CE 3.31Å
297	L	27.8	Very low	28.2	Very low	167 Å²	167	149.7 Å²	149.7	87%	0.874	76%	0.757	S	S	*	*			trans	-130.4	147.8	144.9	-136	82.9	0	0	0	107.9
298	Y	24.1	Very low	29.3	Very low	196 Å²	196	147.7 Å²	147.7	77%	0.769	75%	0.748	S	S	*	*			trans	-87.2	132.7	-161.3	-51.6	-98.1	0	0	0	110.5
299	D	27.1	Very low	30.1	Very low	130 Å²	130	145.8 Å²	145.8	70%	0.695	73%	0.729	S	S	*	*			trans	-135.9	128.8	153.4	-164	-10.1	0	0	0	108.4	S301	D299-S301 PolarHBondContact OD1-N 2.98Å; D299-S301 PolarHBondContact OD1-OG 3.24Å
300	T	26.3	Very low	31.5	Very low	142 Å²	142	138.5 Å²	138.5	87%	0.871	72%	0.718	S	S	*	*			trans	-129	59.2	-177.6	48.8	0	0	0	0	109.1
301	S	27	Very low	32.6	Very low	92 Å²	92	139.4 Å²	139.4	64%	0.643	72%	0.719	S	S	*	*			trans	-152.3	159.6	158.6	69.5	0	0	0	0	107.3	D299	D299-S301 PolarHBondContact OD1-N 2.98Å; D299-S301 PolarHBondContact OD1-OG 3.24Å
302	D	29.6	Very low	34.1	Very low	108 Å²	108	136.6 Å²	136.6	58%	0.578	71%	0.709	S	S	*	*			cis	-129.5	141	-16.3	166.5	18.1	0	0	0	106.4	K304	D302-K304 PolarHBondContact OD1-N 3.33Å; D302-K304 VanDerWaalsContact OD2-CD 3.3Å; D302-K304 WeakPolarHBondContact OD2-CD 3.37Å; D302-K304 WeakPolarHBondContact OD2-CE 3.43Å; D302-K304 WeakPolarHBondContact OD2-CG 3.3Å; D302-K304 IonicContact OD2-NZ 2.57Å
303	K	30.9	Very low	36	Very low	207 Å²	207	132.2 Å²	132.2	90%	0.9	71%	0.707	S	S	*	*			trans	-117.7	67.9	169.7	-75.8	-169.9	178.5	179	0	110.9
304	K	29.3	Very low	37.5	Very low	163 Å²	163	129.4 Å²	129.4	71%	0.709	69%	0.687	S	S	*	*			trans	-54.5	136.4	167.3	-87.1	171	-173.2	175.4	0	111	D302 V306	D302-K304 PolarHBondContact OD1-N 3.33Å; D302-K304 VanDerWaalsContact OD2-CD 3.3Å; D302-K304 WeakPolarHBondContact OD2-CD 3.37Å; D302-K304 WeakPolarHBondContact OD2-CE 3.43Å; D302-K304 WeakPolarHBondContact OD2-CG 3.3Å; D302-K304 IonicContact OD2-NZ 2.57Å; K304-V306 PolarHBondContact O-N 2.91Å; K304-V306 VanDerWaalsContact O-N 3.1Å
305	P	28.4	Very low	39.6	Very low	116 Å²	116	128.3 Å²	128.3	75%	0.753	69%	0.692	S	S	*	*			trans	-68.4	111.5	176.9	27.9	-33.1	0	0	0	109.2	L307	P305-L307 PolarHBondContact O-N 3.29Å
306	V	35.3	Very low	41.4	Very low	132 Å²	132	129.8 Å²	129.8	80%	0.8	69%	0.685	S	S	*	*			trans	-68	99	170.6	179.6	0	0	0	0	107.7	K304 H308	K304-V306 PolarHBondContact O-N 2.91Å; K304-V306 VanDerWaalsContact O-N 3.1Å; V306-H308 PolarHBondContact O-N 2.82Å
307	L	37.2	Very low	43.9	Very low	101 Å²	101	128.2 Å²	128.2	53%	0.529	69%	0.69	S	S	.	*			trans	-64.8	99.7	172.8	-171.3	69.8	0	0	0	108.1	P305 W309	P305-L307 PolarHBondContact O-N 3.29Å; L307-W309 VanDerWaalsContact C-N 3.28Å; L307-W309 HydrophobicContact CD2-CD2 4.26Å; L307-W309 HydrophobicContact CD2-CE3 4.4Å; L307-W309 HydrophobicContact CD2-CH2 3.85Å; L307-W309 HydrophobicContact CD2-CZ2 3.68Å; L307-W309 HydrophobicContact CD2-CZ3 4.21Å; L307-W309 PolarHBondContact O-N 3.26Å
308	H	46.7	Very low	46.1	Very low	123 Å²	123	124.5 Å²	124.5	57%	0.569	68%	0.684	S	S	*	*			trans	-75.3	81.1	-176.5	-166.5	-90	0	0	0	109.5	V306 A310 K311	V306-H308 PolarHBondContact O-N 2.82Å; H308-A310 PolarHBondContact O-N 2.9Å; H308-K311 HydrophobicContact CB-CB 4.45Å; H308-K311 WeakPolarHBondContact O-CA 3.43Å; H308-K311 VanDerWaalsContact O-CB 3.29Å; H308-K311 WeakPolarHBondContact O-CB 3.38Å; H308-K311 PolarHBondContact O-N 3.4Å
309	W	43.9	Very low	48.7	Very low	131 Å²	131	119.5 Å²	119.5	50%	0.496	68%	0.677	S	S	.	*	G	3₁₀ helix	trans	-47.3	-37.9	-177.3	-70.7	106.7	0	0	0	113.5	L307 K311 L312 V314	L307-W309 VanDerWaalsContact C-N 3.28Å; L307-W309 HydrophobicContact CD2-CD2 4.26Å; L307-W309 HydrophobicContact CD2-CE3 4.4Å; L307-W309 HydrophobicContact CD2-CH2 3.85Å; L307-W309 HydrophobicContact CD2-CZ2 3.68Å; L307-W309 HydrophobicContact CD2-CZ3 4.21Å; L307-W309 PolarHBondContact O-N 3.26Å; W309-K311 PolarHBondContact O-N 2.82Å; W309-L312 HydrophobicContact CE3-CD1 4.26Å; W309-L312 HydrophobicContact CZ3-CD1 4.47Å; W309-L312 PolarHBondContact O-N 3.5Å; W309-V314 HydrophobicContact CE3-CB 4.36Å; W309-V314 HydrophobicContact CE3-CG1 4.49Å; W309-V314 HydrophobicContact CE3-CG2 4.5Å
310	A	51.3	Low	51.2	Low	75 Å²	75	115.6 Å²	115.6	62%	0.62	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-60.5	-16.1	175.4	0	0	0	0	0	114.7	H308	H308-A310 PolarHBondContact O-N 2.9Å
311	K	54	Low	54	Low	183 Å²	183	112.7 Å²	112.7	80%	0.796	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-86.7	-12.9	173.9	-154.5	175.5	-175.5	-179.1	0	113.2	H308 W309	H308-K311 HydrophobicContact CB-CB 4.45Å; H308-K311 WeakPolarHBondContact O-CA 3.43Å; H308-K311 VanDerWaalsContact O-CB 3.29Å; H308-K311 WeakPolarHBondContact O-CB 3.38Å; H308-K311 PolarHBondContact O-N 3.4Å; W309-K311 PolarHBondContact O-N 2.82Å
312	L	62.5	Low	56.7	Low	105 Å²	105	116.6 Å²	116.6	55%	0.55	64%	0.642	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.1	1.3	175.7	-66	172.8	0	0	0	112.8	W309 V314	W309-L312 HydrophobicContact CE3-CD1 4.26Å; W309-L312 HydrophobicContact CZ3-CD1 4.47Å; W309-L312 PolarHBondContact O-N 3.5Å; L312-V314 HydrophobicContact CB-CG2 4.11Å; L312-V314 PolarHBondContact O-N 2.9Å; L312-V314 VanDerWaalsContact O-N 3.14Å
313	G	66.4	Low	59.6	Low	69 Å²	69	117.9 Å²	117.9	71%	0.711	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.9	2	-176.9	0	0	0	0	0	114.9	P315	G313-P315 WeakPolarHBondContact O-CD 3.15Å
314	V	60.1	Low	62.2	Low	71 Å²	71	111.1 Å²	111.1	43%	0.43	62%	0.618	S	S	.	*	P	Polyproline II helix	trans	-73.4	123	176.8	-178.2	0	0	0	0	108.9	W309 L312 Q316	W309-V314 HydrophobicContact CE3-CB 4.36Å; W309-V314 HydrophobicContact CE3-CG1 4.49Å; W309-V314 HydrophobicContact CE3-CG2 4.5Å; L312-V314 HydrophobicContact CB-CG2 4.11Å; L312-V314 PolarHBondContact O-N 2.9Å; L312-V314 VanDerWaalsContact O-N 3.14Å; V314-Q316 PolarHBondContact O-N 2.75Å
315	P	70.2	Confident	65	Low	113 Å²	113	104.4 Å²	104.4	73%	0.734	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-61.2	123.4	174	-21.8	33.5	0	0	0	110.4	G313 P317	G313-P315 WeakPolarHBondContact O-CD 3.15Å; P315-P317 WeakPolarHBondContact O-CD 3.32Å
316	Q	66.8	Low	68	Low	154 Å²	154	102.8 Å²	102.8	72%	0.72	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-77.4	124.4	170.3	-176.8	175.8	-0.6	0	0	108.7	V314 A318	V314-Q316 PolarHBondContact O-N 2.75Å; Q316-A318 PolarHBondContact O-N 3.12Å
317	P	76.1	Confident	70.9	Confident	115 Å²	115	97.3 Å²	97.3	75%	0.747	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-57.4	124	170.4	-23.8	34.6	0	0	0	109.7	P315	P315-P317 WeakPolarHBondContact O-CD 3.32Å
318	A	75.1	Confident	73.7	Confident	89 Å²	89	95.6 Å²	95.6	74%	0.736	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-70.5	130.2	172.3	0	0	0	0	0	108.6	Q316 P320	Q316-A318 PolarHBondContact O-N 3.12Å; A318-P320 WeakPolarHBondContact O-CD 3.29Å
319	S	79.2	Confident	76.1	Confident	90 Å²	90	89.7 Å²	89.7	63%	0.629	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-61.1	116.7	170.7	-55.3	0	0	0	0	109.1	T321	S319-T321 PolarHBondContact O-N 2.82Å
320	P	78.8	Confident	78.7	Confident	49 Å²	49	84.5 Å²	84.5	32%	0.318	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-57.8	130.3	175.6	-23.4	33.5	0	0	0	110.6	F230 A318 A325	F230-P320 HydrophobicContact CD1-CG 4.41Å; F230-P320 HydrophobicContact CE1-CB 3.86Å; F230-P320 HydrophobicContact CE1-CG 3.82Å; F230-P320 WeakPolarHBondContact CE2-O 3.31Å; F230-P320 HydrophobicContact CZ-CB 4.18Å; F230-P320 WeakPolarHBondContact CZ-O 3.27Å; A318-P320 WeakPolarHBondContact O-CD 3.29Å; P320-A325 HydrophobicContact CB-CB 4.06Å
321	T	84.7	Confident	80.9	Confident	81 Å²	81	80.9 Å²	80.9	50%	0.497	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-97	158.5	159.1	66.7	0	0	0	0	108.3	S319 Y323 S324 A325	S319-T321 PolarHBondContact O-N 2.82Å; T321-Y323 PolarHBondContact O-N 2.82Å; T321-S324 PolarHBondContact N-OG 3.44Å; T321-S324 CarbonylContact O-C 3.59Å; T321-S324 PolarHBondContact O-N 2.86Å; T321-S324 PolarHBondContact O-OG 3Å; T321-S324 PolarHBondContact OG1-N 3.48Å; T321-S324 PolarHBondContact OG1-OG 3.13Å; T321-A325 PolarHBondContact O-N 3.03Å
322	R	85	Confident	82.9	Confident	173 Å²	173	74.2 Å²	74.2	65%	0.653	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.5	-38.1	170.9	179.5	-179	-67.6	-166.7	-0.6	113.5	L340	R322-L340 HydrophobicContact CG-CD1 3.91Å; R322-L340 WeakPolarHBondContact O-CD1 3Å
323	Y	89.1	Confident	84.3	Confident	136 Å²	136	72.2 Å²	72.2	53%	0.533	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-16.6	-178.5	-68.1	-72.6	0	0	0	115.4	T321 S339 L340 K341	T321-Y323 PolarHBondContact O-N 2.82Å; Y323-S339 WeakPolarHBondContact O-CB 3.42Å; Y323-S339 PolarHBondContact O-OG 3.01Å; Y323-L340 HydrophobicContact CD1-CB 4.25Å; Y323-K341 WeakPolarHBondContact O-CB 3.39Å; Y323-K341 PolarHBondContact O-N 3.32Å
324	S	86.7	Confident	85.8	Confident	65 Å²	65	71.3 Å²	71.3	46%	0.455	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-10.2	-178.2	58.3	0	0	0	0	114.6	T321	T321-S324 PolarHBondContact N-OG 3.44Å; T321-S324 CarbonylContact O-C 3.59Å; T321-S324 PolarHBondContact O-N 2.86Å; T321-S324 PolarHBondContact O-OG 3Å; T321-S324 PolarHBondContact OG1-N 3.48Å; T321-S324 PolarHBondContact OG1-OG 3.13Å
325	A	86.8	Confident	87.5	Confident	22 Å²	22	72.5 Å²	72.5	18%	0.182	44%	0.435	C	S	.	.	S	Bend	trans	-57.4	145.3	170.5	0	0	0	0	0	111.5	P320 T321 S339	P320-A325 HydrophobicContact CB-CB 4.06Å; T321-A325 PolarHBondContact O-N 3.03Å; A325-S339 WeakPolarHBondContact O-CA 3.42Å; A325-S339 VanDerWaalsContact O-CB 3.24Å; A325-S339 WeakPolarHBondContact O-CB 3.38Å
326	P	93	Very high	88.9	Confident	82 Å²	82	68.9 Å²	68.9	53%	0.532	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	138.7	170.5	-24.2	34.9	0	0	0	111.5	T337 S338	P326-T337 HydrophobicContact CB-CG2 3.97Å; P326-S338 CarbonylContact C-O 3.59Å; P326-S338 WeakPolarHBondContact CA-O 3.43Å
327	V	95.1	Very high	90.3	Very high	16 Å²	16	64.7 Å²	64.7	10%	0.097	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	116.8	170.3	179	0	0	0	0	107.1	I329 T337 S338 L340 L343 F355 Y370	V327-I329 HydrophobicContact CG1-CG1 4.24Å; V327-T337 WeakPolarHBondContact O-CA 3.44Å; V327-S338 PolarHBondContact N-O 3.42Å; V327-S338 PolarHBondContact O-N 3.31Å; V327-L340 HydrophobicContact CG2-CD2 3.98Å; V327-L340 HydrophobicContact CG2-CG 3.92Å; V327-L343 HydrophobicContact CB-CD1 3.97Å; V327-L343 HydrophobicContact CG1-CD1 3.73Å; V327-L343 HydrophobicContact CG2-CD1 4.43Å; V327-F355 HydrophobicContact CG1-CD1 4.22Å; V327-F355 HydrophobicContact CG1-CE1 3.76Å; V327-Y370 HydrophobicContact CG1-CD2 3.87Å; V327-Y370 HydrophobicContact CG1-CE2 4.01Å
328	H	96.3	Very high	91.3	Very high	65 Å²	65	59.8 Å²	59.8	30%	0.301	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	133.8	179.8	-58.3	-66.4	0	0	0	110.5	L335 Y336 T337 H369 Y370	H328-L335 HydrophobicContact CB-CD1 4.41Å; H328-Y336 WeakPolarHBondContact CA-O 3.45Å; H328-T337 PolarHBondContact CE1-OG1 3.42Å; H328-T337 PolarHBondContact ND1-OG1 3.44Å; H328-H369 HydrophobicContact CB-CB 4.16Å; H328-H369 WeakPolarHBondContact CB-CD2 3.31Å; H328-H369 AromaticContact CD2-NE2 3.92Å; H328-H369 AromaticContact CG-CD2 3.76Å; H328-H369 AromaticContact CG-NE2 3.69Å; H328-Y370 PolarHBondContact O-N 3.47Å
329	I	97.5	Very high	92.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	118.3	-176.5	-44.3	172.4	0	0	0	108.8	V327 V331 Y336 L343 F355 Y370 I372 F379	V327-I329 HydrophobicContact CG1-CG1 4.24Å; I329-V331 HydrophobicContact CB-CG2 4.38Å; I329-V331 HydrophobicContact CG2-CG2 3.67Å; I329-Y336 PolarHBondContact N-O 3.39Å; I329-Y336 PolarHBondContact O-N 3.14Å; I329-L343 HydrophobicContact CD1-CD1 3.84Å; I329-L343 HydrophobicContact CD1-CD2 3.64Å; I329-L343 HydrophobicContact CD1-CG 4.4Å; I329-F355 HydrophobicContact CD1-CE1 4.21Å; I329-F355 HydrophobicContact CD1-CE2 3.84Å; I329-F355 HydrophobicContact CD1-CZ 3.43Å; I329-F355 VanDerWaalsContact CD1-CZ 3.43Å; I329-F355 HydrophobicContact CG1-CE1 4.35Å; I329-F355 HydrophobicContact CG1-CZ 3.79Å; I329-F355 HydrophobicContact CG2-CZ 4.46Å; I329-Y370 CarbonylContact C-O 3.54Å; I329-Y370 VanDerWaalsContact CA-O 3.27Å; I329-Y370 WeakPolarHBondContact CA-O 3.4Å; I329-I372 HydrophobicContact CG2-CD1 3.79Å; I329-I372 HydrophobicContact CG2-CG1 3.94Å; I329-F379 HydrophobicContact CD1-CZ 4.47Å
330	D	97.1	Very high	93.1	Very high	21 Å²	21	53.9 Å²	53.9	11%	0.112	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	114.4	166.7	-169.8	-24.8	0	0	0	108.3	G333 K367 Y370 F371 I372	D330-G333 WeakPolarHBondContact OD1-CA 3.38Å; D330-G333 PolarHBondContact OD1-N 2.89Å; D330-K367 IonicContact OD2-NZ 2.89Å; D330-Y370 PolarHBondContact N-O 3.04Å; D330-F371 HydrophobicContact CB-CD2 4.16Å; D330-F371 CarbonylContact O-C 3.53Å; D330-F371 WeakPolarHBondContact O-CA 3.28Å; D330-F371 WeakPolarHBondContact O-CD2 3.41Å; D330-I372 PolarHBondContact O-N 3.48Å
331	V	97.9	Very high	93.9	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	102.4	178.4	-171.4	0	0	0	0	108.6	I329 G333 T334 Y336 I372 R374 G376 F379	I329-V331 HydrophobicContact CB-CG2 4.38Å; I329-V331 HydrophobicContact CG2-CG2 3.67Å; V331-G333 PolarHBondContact O-N 2.85Å; V331-T334 PolarHBondContact N-O 2.96Å; V331-T334 WeakPolarHBondContact O-CB 3.48Å; V331-T334 PolarHBondContact O-N 3.41Å; V331-Y336 HydrophobicContact CB-CD2 4.35Å; V331-Y336 HydrophobicContact CG2-CD2 4.12Å; V331-I372 WeakPolarHBondContact CA-O 3.46Å; V331-I372 HydrophobicContact CG1-CB 4.38Å; V331-I372 HydrophobicContact CG1-CG2 4.5Å; V331-I372 HydrophobicContact CG2-CB 4.31Å; V331-R374 HydrophobicContact CG1-CB 4.16Å; V331-G376 WeakPolarHBondContact O-CA 3.38Å; V331-F379 HydrophobicContact CB-CB 4.43Å; V331-F379 HydrophobicContact CB-CD1 4.46Å; V331-F379 HydrophobicContact CB-CG 4.37Å; V331-F379 HydrophobicContact CG1-CB 3.98Å; V331-F379 HydrophobicContact CG1-CD2 4.34Å; V331-F379 HydrophobicContact CG1-CG 4.09Å; V331-F379 HydrophobicContact CG2-CD1 3.76Å; V331-F379 HydrophobicContact CG2-CD2 4.36Å; V331-F379 HydrophobicContact CG2-CE1 3.93Å; V331-F379 HydrophobicContact CG2-CG 3.97Å; V331-F379 HydrophobicContact CG2-CZ 4.3Å
332	G	95.6	Very high	94.5	Very high	43 Å²	43	56.2 Å²	56.2	44%	0.443	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	33.8	-178.1	0	0	0	0	0	114.6	I372 R374	G332-I372 PolarHBondContact N-O 2.92Å; G332-R374 WeakPolarHBondContact CA-O 3.47Å; G332-R374 PolarHBondContact N-O 2.93Å
333	G	93.6	Very high	95.1	Very high	62 Å²	62	48 Å²	48	64%	0.639	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	-4.4	-174.8	0	0	0	0	0	114.7	D330 V331	D330-G333 WeakPolarHBondContact OD1-CA 3.38Å; D330-G333 PolarHBondContact OD1-N 2.89Å; V331-G333 PolarHBondContact O-N 2.85Å
334	T	96.9	Very high	95.4	Very high	51 Å²	51	42.8 Å²	42.8	31%	0.313	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	112.4	176.5	-53.6	0	0	0	0	110.5	V331 Y336	V331-T334 PolarHBondContact N-O 2.96Å; V331-T334 WeakPolarHBondContact O-CB 3.48Å; V331-T334 PolarHBondContact O-N 3.41Å; T334-Y336 HydrophobicContact CG2-CD2 4.17Å; T334-Y336 HydrophobicContact CG2-CE2 3.43Å; T334-Y336 VanDerWaalsContact CG2-CE2 3.43Å; T334-Y336 WeakPolarHBondContact O-CD2 3.36Å; T334-Y336 PolarHBondContact O-N 2.96Å
335	L	96.7	Very high	95.9	Very high	95 Å²	95	43.5 Å²	43.5	50%	0.497	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	122.3	-179.3	-174.6	61.9	0	0	0	112.4	H328 H369	H328-L335 HydrophobicContact CB-CD1 4.41Å; L335-H369 WeakPolarHBondContact CD1-ND1 3.49Å
336	Y	98.2	Very high	96.4	Very high	38 Å²	38	44.4 Å²	44.4	15%	0.149	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	151.5	172.4	-75.1	-80	0	0	0	111.9	H328 I329 V331 T334 G376 F379 R380 L383	H328-Y336 WeakPolarHBondContact CA-O 3.45Å; I329-Y336 PolarHBondContact N-O 3.39Å; I329-Y336 PolarHBondContact O-N 3.14Å; V331-Y336 HydrophobicContact CB-CD2 4.35Å; V331-Y336 HydrophobicContact CG2-CD2 4.12Å; T334-Y336 HydrophobicContact CG2-CD2 4.17Å; T334-Y336 HydrophobicContact CG2-CE2 3.43Å; T334-Y336 VanDerWaalsContact CG2-CE2 3.43Å; T334-Y336 WeakPolarHBondContact O-CD2 3.36Å; T334-Y336 PolarHBondContact O-N 2.96Å; Y336-G376 WeakPolarHBondContact CE2-O 3.46Å; Y336-G376 PolarHBondContact OH-O 2.93Å; Y336-F379 HydrophobicContact CD1-CD1 4.38Å; Y336-F379 AromaticContact CD2-CD1 3.55Å; Y336-F379 HydrophobicContact CD2-CD1 3.55Å; Y336-F379 HydrophobicContact CD2-CE1 4.18Å; Y336-F379 HydrophobicContact CE2-CB 4.14Å; Y336-F379 AromaticContact CE2-CD1 3.8Å; Y336-F379 HydrophobicContact CE2-CD1 3.8Å; Y336-F379 HydrophobicContact CE2-CG 4.44Å; Y336-F379 AromaticContact CG-CD1 3.87Å; Y336-F379 HydrophobicContact CG-CD1 3.87Å; Y336-F379 HydrophobicContact CG-CE1 4.18Å; Y336-R380 HydrophobicContact CE1-CB 4.35Å; Y336-L383 HydrophobicContact CD1-CD2 3.73Å; Y336-L383 HydrophobicContact CE1-CD2 4.5Å; Y336-L383 HydrophobicContact CG-CD2 4.27Å
337	T	97.3	Very high	96.6	Very high	65 Å²	65	43.7 Å²	43.7	40%	0.399	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134.8	168	-54.4	0	0	0	0	110	P326 V327 H328 R387	P326-T337 HydrophobicContact CB-CG2 3.97Å; V327-T337 WeakPolarHBondContact O-CA 3.44Å; H328-T337 PolarHBondContact CE1-OG1 3.42Å; H328-T337 PolarHBondContact ND1-OG1 3.44Å; T337-R387 PolarHBondContact O-NH2 3.15Å
338	S	96.8	Very high	96.6	Very high	13 Å²	13	49.4 Å²	49.4	9%	0.091	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	-159.4	-179.1	-162	0	0	0	0	110.4	P326 V327 V342	P326-S338 CarbonylContact C-O 3.59Å; P326-S338 WeakPolarHBondContact CA-O 3.43Å; V327-S338 PolarHBondContact N-O 3.42Å; V327-S338 PolarHBondContact O-N 3.31Å; S338-V342 WeakPolarHBondContact OG-CB 3.48Å
339	S	95.3	Very high	96.7	Very high	18 Å²	18	46.7 Å²	46.7	13%	0.126	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	160.3	166.4	86.3	0	0	0	0	110.5	Y323 A325 K341 V342 L343	Y323-S339 WeakPolarHBondContact O-CB 3.42Å; Y323-S339 PolarHBondContact O-OG 3.01Å; A325-S339 WeakPolarHBondContact O-CA 3.42Å; A325-S339 VanDerWaalsContact O-CB 3.24Å; A325-S339 WeakPolarHBondContact O-CB 3.38Å; S339-K341 PolarHBondContact O-N 3.26Å; S339-V342 PolarHBondContact O-N 3.48Å; S339-L343 WeakPolarHBondContact O-CG 3.29Å; S339-L343 PolarHBondContact O-N 3.17Å
340	L	96.1	Very high	96.7	Very high	36 Å²	36	49.9 Å²	49.9	19%	0.188	29%	0.287	C	S	.	.	H	α-helix	trans	-55.3	-38	179.3	-67.9	-177.3	0	0	0	112.3	R322 Y323 V327 V342 L343 T344 F355	R322-L340 HydrophobicContact CG-CD1 3.91Å; R322-L340 WeakPolarHBondContact O-CD1 3Å; Y323-L340 HydrophobicContact CD1-CB 4.25Å; V327-L340 HydrophobicContact CG2-CD2 3.98Å; V327-L340 HydrophobicContact CG2-CG 3.92Å; L340-V342 PolarHBondContact O-N 3.24Å; L340-V342 VanDerWaalsContact O-N 3.09Å; L340-L343 PolarHBondContact O-N 3.24Å; L340-L343 VanDerWaalsContact O-N 3.13Å; L340-T344 PolarHBondContact O-N 3.07Å; L340-T344 PolarHBondContact O-OG1 3.27Å; L340-F355 HydrophobicContact CD2-CB 4.03Å; L340-F355 HydrophobicContact CD2-CD1 3.98Å; L340-F355 HydrophobicContact CD2-CG 4.43Å
341	K	95.4	Very high	96.7	Very high	152 Å²	152	48.9 Å²	48.9	66%	0.661	28%	0.281	S	S	*	.	H	α-helix	trans	-51.8	-33.9	174.6	179.9	176.1	178.1	178.5	0	114	Y323 S339	Y323-K341 WeakPolarHBondContact O-CB 3.39Å; Y323-K341 PolarHBondContact O-N 3.32Å; S339-K341 PolarHBondContact O-N 3.26Å
342	V	97.4	Very high	96.7	Very high	27 Å²	27	48.9 Å²	48.9	16%	0.164	28%	0.281	C	S	.	.	H	α-helix	trans	-83.6	-45.3	179.1	176.4	0	0	0	0	110.4	S338 S339 L340 K345 L383 L386 R387	S338-V342 WeakPolarHBondContact OG-CB 3.48Å; S339-V342 PolarHBondContact O-N 3.48Å; L340-V342 PolarHBondContact O-N 3.24Å; L340-V342 VanDerWaalsContact O-N 3.09Å; V342-K345 VanDerWaalsContact O-CB 3.29Å; V342-K345 WeakPolarHBondContact O-CB 3.44Å; V342-K345 PolarHBondContact O-N 3.32Å; V342-L383 HydrophobicContact CG1-CD1 4.14Å; V342-L386 HydrophobicContact CG1-CB 3.66Å; V342-L386 HydrophobicContact CG1-CD1 4.48Å; V342-R387 HydrophobicContact CG1-CG 3.79Å; V342-R387 HydrophobicContact CG2-CG 4.29Å
343	L	97.9	Very high	96.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-69.7	-39	-174.3	-60.9	165.3	0	0	0	112.1	V327 I329 S339 L340 K345 F355 L383	V327-L343 HydrophobicContact CB-CD1 3.97Å; V327-L343 HydrophobicContact CG1-CD1 3.73Å; V327-L343 HydrophobicContact CG2-CD1 4.43Å; I329-L343 HydrophobicContact CD1-CD1 3.84Å; I329-L343 HydrophobicContact CD1-CD2 3.64Å; I329-L343 HydrophobicContact CD1-CG 4.4Å; S339-L343 WeakPolarHBondContact O-CG 3.29Å; S339-L343 PolarHBondContact O-N 3.17Å; L340-L343 PolarHBondContact O-N 3.24Å; L340-L343 VanDerWaalsContact O-N 3.13Å; L343-K345 VanDerWaalsContact C-N 3.32Å; L343-K345 PolarHBondContact O-N 3.25Å; L343-F355 HydrophobicContact CB-CB 3.82Å; L343-F355 HydrophobicContact CB-CD2 3.82Å; L343-F355 HydrophobicContact CB-CG 3.78Å; L343-F355 HydrophobicContact CD1-CD1 3.75Å; L343-F355 HydrophobicContact CD1-CD2 4.03Å; L343-F355 HydrophobicContact CD1-CE1 3.91Å; L343-F355 HydrophobicContact CD1-CE2 4.18Å; L343-F355 HydrophobicContact CD1-CG 3.82Å; L343-F355 HydrophobicContact CD1-CZ 4.12Å; L343-F355 HydrophobicContact CD2-CD2 4.25Å; L343-F355 HydrophobicContact CD2-CE2 4.24Å; L343-F355 HydrophobicContact CG-CD2 4.24Å; L343-F355 HydrophobicContact CG-CG 4.32Å; L343-L383 HydrophobicContact CD2-CD1 4.16Å
344	T	96.6	Very high	97	Very high	28 Å²	28	48.5 Å²	48.5	17%	0.172	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	13.5	179	73.5	0	0	0	0	113.7	L340 Y346 F355 N356	L340-T344 PolarHBondContact O-N 3.07Å; L340-T344 PolarHBondContact O-OG1 3.27Å; T344-Y346 VanDerWaalsContact C-N 3.25Å; T344-Y346 PolarHBondContact O-N 3.11Å; T344-F355 HydrophobicContact CG2-CB 3.86Å; T344-F355 VanDerWaalsContact CG2-O 3.3Å; T344-F355 WeakPolarHBondContact CG2-O 3.41Å; T344-N356 HydrophobicContact CG2-CB 4.18Å
345	K	96.9	Very high	97	Very high	79 Å²	79	46.8 Å²	46.8	34%	0.343	24%	0.239	S	C	.	.	S	Bend	trans	-62.5	-32.2	-175.7	-169.4	-179.2	-164.3	-177.5	0	113.4	V342 L343 P347 L386 R387 N389	V342-K345 VanDerWaalsContact O-CB 3.29Å; V342-K345 WeakPolarHBondContact O-CB 3.44Å; V342-K345 PolarHBondContact O-N 3.32Å; L343-K345 VanDerWaalsContact C-N 3.32Å; L343-K345 PolarHBondContact O-N 3.25Å; K345-P347 WeakPolarHBondContact O-CD 3.5Å; K345-L386 WeakPolarHBondContact CD-O 3.36Å; K345-L386 WeakPolarHBondContact CE-O 3.33Å; K345-L386 PolarHBondContact NZ-O 3.08Å; K345-R387 PolarHBondContact NZ-O 3.48Å; K345-N389 WeakPolarHBondContact CE-OD1 3.45Å; K345-N389 PolarHBondContact NZ-OD1 3.03Å
346	Y	97.3	Very high	96.8	Very high	42 Å²	42	45.3 Å²	45.3	17%	0.165	23%	0.232	C	C	.	.	S	Bend	trans	-112.3	79.9	171.8	-70.2	-91.5	0	0	0	107.9	T344 N348 S349 F385 L386 N389 L412 E414	T344-Y346 VanDerWaalsContact C-N 3.25Å; T344-Y346 PolarHBondContact O-N 3.11Å; Y346-N348 PolarHBondContact O-N 3.13Å; Y346-N348 VanDerWaalsContact O-N 3.08Å; Y346-S349 VanDerWaalsContact O-CB 3.31Å; Y346-S349 WeakPolarHBondContact O-CB 3.39Å; Y346-S349 PolarHBondContact O-N 3Å; Y346-S349 PolarHBondContact O-OG 3.02Å; Y346-F385 HydrophobicContact CD2-CE1 4.38Å; Y346-F385 HydrophobicContact CE2-CD1 4.49Å; Y346-F385 AromaticContact CE2-CE1 3.66Å; Y346-F385 HydrophobicContact CE2-CE1 3.66Å; Y346-F385 HydrophobicContact CE2-CZ 4.24Å; Y346-F385 AromaticContact CZ-CE1 3.88Å; Y346-L386 HydrophobicContact CD2-CD2 3.72Å; Y346-L386 HydrophobicContact CE2-CD2 4.29Å; Y346-N389 PolarHBondContact OH-OD1 3.09Å; Y346-L412 HydrophobicContact CD2-CD2 4.16Å; Y346-L412 HydrophobicContact CG-CD2 4.13Å; Y346-E414 HydrophobicContact CE1-CB 4.26Å; Y346-E414 VanDerWaalsContact CE1-CD 3.49Å; Y346-E414 HydrophobicContact CE1-CG 3.97Å; Y346-E414 WeakPolarHBondContact CE1-OE2 3.15Å
347	P	96.1	Very high	96.4	Very high	66 Å²	66	46.4 Å²	46.4	43%	0.429	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.3	-168	26.2	-36	0	0	0	114.1	K345 N356	K345-P347 WeakPolarHBondContact O-CD 3.5Å; P347-N356 PolarHBondContact O-ND2 3.49Å
348	N	96.2	Very high	96.3	Very high	137 Å²	137	47.9 Å²	47.9	73%	0.733	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-18.5	177	-64.7	-16.5	0	0	0	113.4	Y346 K353	Y346-N348 PolarHBondContact O-N 3.13Å; Y346-N348 VanDerWaalsContact O-N 3.08Å; N348-K353 VanDerWaalsContact O-CE 3.24Å; N348-K353 WeakPolarHBondContact O-CE 3.43Å; N348-K353 PolarHBondContact O-NZ 2.87Å
349	S	97.9	Very high	96.1	Very high	8 Å²	8	49.9 Å²	49.9	6%	0.056	27%	0.272	C	S	.	.	S	Bend	trans	-66.7	159.5	176.2	72	0	0	0	0	111.3	Y346 L351 G352 K353 Y410 G411	Y346-S349 VanDerWaalsContact O-CB 3.31Å; Y346-S349 WeakPolarHBondContact O-CB 3.39Å; Y346-S349 PolarHBondContact O-N 3Å; Y346-S349 PolarHBondContact O-OG 3.02Å; S349-L351 VanDerWaalsContact C-N 3.32Å; S349-L351 PolarHBondContact O-N 3.06Å; S349-G352 PolarHBondContact O-N 3.07Å; S349-G352 PolarHBondContact OG-N 2.78Å; S349-K353 WeakPolarHBondContact O-CB 3.43Å; S349-K353 VanDerWaalsContact O-CG 3.3Å; S349-K353 WeakPolarHBondContact O-CG 3.4Å; S349-K353 PolarHBondContact O-N 2.87Å; S349-Y410 WeakPolarHBondContact CB-O 3.27Å; S349-G411 WeakPolarHBondContact CA-O 3.48Å; S349-G411 WeakPolarHBondContact CB-O 3.47Å
350	I	97.4	Very high	95.9	Very high	66 Å²	66	54.9 Å²	54.9	34%	0.338	31%	0.305	S	S	.	.	H	α-helix	trans	-63.2	-42.7	178.4	-69.5	165.2	0	0	0	110	G352 K353 M354 I359 F409 Y410	I350-G352 PolarHBondContact O-N 3.37Å; I350-K353 WeakPolarHBondContact O-CB 3.17Å; I350-K353 PolarHBondContact O-N 3.15Å; I350-M354 HydrophobicContact CG2-CE 3.79Å; I350-M354 HydrophobicContact CG2-SD 4.43Å; I350-M354 WeakPolarHBondContact O-CG 3.43Å; I350-M354 PolarHBondContact O-N 3.12Å; I350-I359 HydrophobicContact CG2-CD1 4.31Å; I350-F409 VanDerWaalsContact CD1-O 3.26Å; I350-F409 WeakPolarHBondContact CD1-O 3.39Å; I350-Y410 PolarHBondContact N-O 2.78Å
351	L	98	Very high	95.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.5	-40.7	176.3	-173.7	57.2	0	0	0	112.6	S349 K353 M354 F355 I372 F379 V382 L386 Y410	S349-L351 VanDerWaalsContact C-N 3.32Å; S349-L351 PolarHBondContact O-N 3.06Å; L351-K353 VanDerWaalsContact C-N 3.29Å; L351-K353 PolarHBondContact O-N 3.23Å; L351-M354 HydrophobicContact CD1-SD 4.29Å; L351-M354 PolarHBondContact O-N 3.25Å; L351-F355 HydrophobicContact CD1-CD2 3.88Å; L351-F355 HydrophobicContact CD1-CE2 3.71Å; L351-F355 WeakPolarHBondContact O-CD2 3.42Å; L351-F355 PolarHBondContact O-N 2.89Å; L351-I372 HydrophobicContact CD1-CD1 4.1Å; L351-F379 HydrophobicContact CD2-CE2 4.07Å; L351-F379 HydrophobicContact CD2-CZ 4.43Å; L351-V382 HydrophobicContact CD2-CG1 3.99Å; L351-L386 HydrophobicContact CD2-CD1 3.74Å; L351-Y410 HydrophobicContact CB-CD1 3.87Å; L351-Y410 HydrophobicContact CB-CG 4.3Å; L351-Y410 HydrophobicContact CD1-CD1 3.99Å; L351-Y410 HydrophobicContact CD1-CE1 4.18Å; L351-Y410 HydrophobicContact CD2-CD1 3.99Å; L351-Y410 HydrophobicContact CD2-CG 4.18Å; L351-Y410 HydrophobicContact CG-CD1 4.18Å; L351-Y410 PolarHBondContact N-O 2.76Å; L351-Y410 VanDerWaalsContact N-O 3.15Å
352	G	97.6	Very high	95.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.3	-35.8	174.5	0	0	0	0	0	112.7	S349 I350 N356	S349-G352 PolarHBondContact O-N 3.07Å; S349-G352 PolarHBondContact OG-N 2.78Å; I350-G352 PolarHBondContact O-N 3.37Å; G352-N356 VanDerWaalsContact O-CB 3.3Å; G352-N356 WeakPolarHBondContact O-CB 3.47Å; G352-N356 PolarHBondContact O-N 2.84Å; G352-N356 PolarHBondContact O-ND2 3.07Å
353	K	97.7	Very high	95.5	Very high	69 Å²	69	54.6 Å²	54.6	30%	0.3	31%	0.312	S	S	.	.	H	α-helix	trans	-71.1	-34.1	175.6	-77.4	168.9	176.5	155.5	0	113.7	N348 S349 I350 L351 N356 G357 T358 I359	N348-K353 VanDerWaalsContact O-CE 3.24Å; N348-K353 WeakPolarHBondContact O-CE 3.43Å; N348-K353 PolarHBondContact O-NZ 2.87Å; S349-K353 WeakPolarHBondContact O-CB 3.43Å; S349-K353 VanDerWaalsContact O-CG 3.3Å; S349-K353 WeakPolarHBondContact O-CG 3.4Å; S349-K353 PolarHBondContact O-N 2.87Å; I350-K353 WeakPolarHBondContact O-CB 3.17Å; I350-K353 PolarHBondContact O-N 3.15Å; L351-K353 VanDerWaalsContact C-N 3.29Å; L351-K353 PolarHBondContact O-N 3.23Å; K353-N356 WeakPolarHBondContact CA-OD1 3.46Å; K353-N356 PolarHBondContact O-OD1 2.94Å; K353-G357 PolarHBondContact O-N 3.01Å; K353-T358 HydrophobicContact CB-CG2 4.41Å; K353-T358 HydrophobicContact CD-CG2 4.4Å; K353-T358 HydrophobicContact CG-CG2 4.1Å; K353-T358 PolarHBondContact O-N 2.92Å; K353-I359 HydrophobicContact CB-CB 4.29Å; K353-I359 HydrophobicContact CB-CD1 3.59Å; K353-I359 HydrophobicContact CB-CG1 3.83Å; K353-I359 HydrophobicContact CD-CD1 4.02Å; K353-I359 HydrophobicContact CG-CD1 4.45Å; K353-I359 PolarHBondContact O-N 3.35Å
354	M	97.1	Very high	95	Very high	29 Å²	29	56.5 Å²	56.5	14%	0.143	32%	0.322	C	S	.	.	H	α-helix	trans	-61	-47	171.4	-70.4	163.6	171	0	0	111	I350 L351 I359 I361	I350-M354 HydrophobicContact CG2-CE 3.79Å; I350-M354 HydrophobicContact CG2-SD 4.43Å; I350-M354 WeakPolarHBondContact O-CG 3.43Å; I350-M354 PolarHBondContact O-N 3.12Å; L351-M354 HydrophobicContact CD1-SD 4.29Å; L351-M354 PolarHBondContact O-N 3.25Å; M354-I359 WeakPolarHBondContact CA-O 3.42Å; M354-I359 HydrophobicContact CG-CB 4.31Å; M354-I359 HydrophobicContact CG-CG2 4.02Å; M354-I361 HydrophobicContact CB-CB 4.43Å; M354-I361 HydrophobicContact CB-CD1 4.3Å
355	F	96.3	Very high	94.4	Very high	15 Å²	15	60.2 Å²	60.2	7%	0.066	35%	0.345	C	S	.	.	H	α-helix	trans	-90.9	0	-174.8	-72.9	-74.5	0	0	0	115.5	V327 I329 L340 L343 T344 L351 I361 Y370 I372	V327-F355 HydrophobicContact CG1-CD1 4.22Å; V327-F355 HydrophobicContact CG1-CE1 3.76Å; I329-F355 HydrophobicContact CD1-CE1 4.21Å; I329-F355 HydrophobicContact CD1-CE2 3.84Å; I329-F355 HydrophobicContact CD1-CZ 3.43Å; I329-F355 VanDerWaalsContact CD1-CZ 3.43Å; I329-F355 HydrophobicContact CG1-CE1 4.35Å; I329-F355 HydrophobicContact CG1-CZ 3.79Å; I329-F355 HydrophobicContact CG2-CZ 4.46Å; L340-F355 HydrophobicContact CD2-CB 4.03Å; L340-F355 HydrophobicContact CD2-CD1 3.98Å; L340-F355 HydrophobicContact CD2-CG 4.43Å; L343-F355 HydrophobicContact CB-CB 3.82Å; L343-F355 HydrophobicContact CB-CD2 3.82Å; L343-F355 HydrophobicContact CB-CG 3.78Å; L343-F355 HydrophobicContact CD1-CD1 3.75Å; L343-F355 HydrophobicContact CD1-CD2 4.03Å; L343-F355 HydrophobicContact CD1-CE1 3.91Å; L343-F355 HydrophobicContact CD1-CE2 4.18Å; L343-F355 HydrophobicContact CD1-CG 3.82Å; L343-F355 HydrophobicContact CD1-CZ 4.12Å; L343-F355 HydrophobicContact CD2-CD2 4.25Å; L343-F355 HydrophobicContact CD2-CE2 4.24Å; L343-F355 HydrophobicContact CG-CD2 4.24Å; L343-F355 HydrophobicContact CG-CG 4.32Å; T344-F355 HydrophobicContact CG2-CB 3.86Å; T344-F355 VanDerWaalsContact CG2-O 3.3Å; T344-F355 WeakPolarHBondContact CG2-O 3.41Å; L351-F355 HydrophobicContact CD1-CD2 3.88Å; L351-F355 HydrophobicContact CD1-CE2 3.71Å; L351-F355 WeakPolarHBondContact O-CD2 3.42Å; L351-F355 PolarHBondContact O-N 2.89Å; F355-I361 HydrophobicContact CE1-CD1 4.13Å; F355-I361 HydrophobicContact CE2-CD1 3.89Å; F355-I361 HydrophobicContact CZ-CD1 3.52Å; F355-Y370 AromaticContact CE1-CD2 3.78Å; F355-Y370 HydrophobicContact CE1-CD2 3.78Å; F355-Y370 HydrophobicContact CE1-CE2 4.23Å; F355-Y370 HydrophobicContact CE1-CG 4.03Å; F355-Y370 HydrophobicContact CZ-CG 4.48Å; F355-I372 HydrophobicContact CE2-CD1 4.33Å
356	N	93	Very high	93.5	Very high	64 Å²	64	64.9 Å²	64.9	34%	0.342	37%	0.37	S	S	.	.	H	α-helix	trans	-104.1	-2.9	169.6	76.4	13.9	0	0	0	113.6	T344 P347 G352 K353 T358	T344-N356 HydrophobicContact CG2-CB 4.18Å; P347-N356 PolarHBondContact O-ND2 3.49Å; G352-N356 VanDerWaalsContact O-CB 3.3Å; G352-N356 WeakPolarHBondContact O-CB 3.47Å; G352-N356 PolarHBondContact O-N 2.84Å; G352-N356 PolarHBondContact O-ND2 3.07Å; K353-N356 WeakPolarHBondContact CA-OD1 3.46Å; K353-N356 PolarHBondContact O-OD1 2.94Å; N356-T358 VanDerWaalsContact OD1-CB 3.24Å; N356-T358 WeakPolarHBondContact OD1-CB 3.36Å; N356-T358 PolarHBondContact OD1-N 2.98Å; N356-T358 PolarHBondContact OD1-OG1 3.39Å
357	G	91.2	Very high	92.7	Very high	61 Å²	61	68 Å²	68	63%	0.629	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.8	0.6	179.9	0	0	0	0	0	116	K353	K353-G357 PolarHBondContact O-N 3.01Å
358	T	93.9	Very high	92.2	Very high	95 Å²	95	69.2 Å²	69.2	58%	0.583	39%	0.385	S	S	*	.	S	Bend	trans	-73.4	-31.3	178.2	-54	0	0	0	0	112.6	K353 N356	K353-T358 HydrophobicContact CB-CG2 4.41Å; K353-T358 HydrophobicContact CD-CG2 4.4Å; K353-T358 HydrophobicContact CG-CG2 4.1Å; K353-T358 PolarHBondContact O-N 2.92Å; N356-T358 VanDerWaalsContact OD1-CB 3.24Å; N356-T358 WeakPolarHBondContact OD1-CB 3.36Å; N356-T358 PolarHBondContact OD1-N 2.98Å; N356-T358 PolarHBondContact OD1-OG1 3.39Å
359	I	92.6	Very high	91.9	Very high	55 Å²	55	64.4 Å²	64.4	28%	0.282	36%	0.358	S	S	.	.	S	Bend	trans	-122	131.1	177.7	-68.5	173.5	0	0	0	107.9	I350 K353 M354	I350-I359 HydrophobicContact CG2-CD1 4.31Å; K353-I359 HydrophobicContact CB-CB 4.29Å; K353-I359 HydrophobicContact CB-CD1 3.59Å; K353-I359 HydrophobicContact CB-CG1 3.83Å; K353-I359 HydrophobicContact CD-CD1 4.02Å; K353-I359 HydrophobicContact CG-CD1 4.45Å; K353-I359 PolarHBondContact O-N 3.35Å; M354-I359 WeakPolarHBondContact CA-O 3.42Å; M354-I359 HydrophobicContact CG-CB 4.31Å; M354-I359 HydrophobicContact CG-CG2 4.02Å
360	P	92.1	Very high	91.8	Very high	124 Å²	124	68.2 Å²	68.2	81%	0.805	37%	0.371	S	S	*	.			trans	-65.4	143	175.4	28.1	-34.8	0	0	0	111
361	I	94.4	Very high	91.8	Very high	42 Å²	42	68.4 Å²	68.4	22%	0.215	37%	0.37	C	S	.	.			trans	-124.7	142.6	176.5	-177.9	164.1	0	0	0	109	M354 F355 Y370 I372	M354-I361 HydrophobicContact CB-CB 4.43Å; M354-I361 HydrophobicContact CB-CD1 4.3Å; F355-I361 HydrophobicContact CE1-CD1 4.13Å; F355-I361 HydrophobicContact CE2-CD1 3.89Å; F355-I361 HydrophobicContact CZ-CD1 3.52Å; I361-Y370 HydrophobicContact CB-CD1 4.47Å; I361-Y370 HydrophobicContact CD1-CD1 4.34Å; I361-Y370 HydrophobicContact CD1-CG 4.32Å; I361-Y370 HydrophobicContact CG1-CD1 4.18Å; I361-Y370 HydrophobicContact CG2-CD1 3.56Å; I361-Y370 HydrophobicContact CG2-CE1 3.8Å; I361-Y370 HydrophobicContact CG2-CG 4.48Å; I361-I372 HydrophobicContact CD1-CD1 4.19Å; I361-I372 HydrophobicContact CD1-CG1 3.95Å
362	V	92.6	Very high	91.7	Very high	93 Å²	93	68.8 Å²	68.8	56%	0.564	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	138.9	179.2	179.5	0	0	0	0	109.3	Y370 F371	V362-Y370 CarbonylContact O-C 3.57Å; V362-Y370 WeakPolarHBondContact O-CA 3.33Å; V362-F371 HydrophobicContact CB-CB 4.16Å; V362-F371 HydrophobicContact CB-CD1 4.41Å; V362-F371 HydrophobicContact CG1-CB 4.11Å; V362-F371 HydrophobicContact CG1-CD1 4.35Å; V362-F371 PolarHBondContact O-N 2.79Å
363	L	92.8	Very high	91.7	Very high	73 Å²	73	75.1 Å²	75.1	38%	0.382	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.4	172.6	-178.3	70.6	0	0	0	108.2	T365 Y370	L363-T365 PolarHBondContact O-N 3.07Å; L363-Y370 HydrophobicContact CD1-CD1 4.06Å; L363-Y370 HydrophobicContact CD1-CE1 4.1Å; L363-Y370 HydrophobicContact CD1-CG 4.46Å
364	D	86.7	Confident	91.7	Very high	40 Å²	40	74.5 Å²	74.5	21%	0.214	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	107.9	167.3	-178.2	-31.4	0	0	0	107.5	M366 K367 Q368 H369	D364-M366 PolarHBondContact O-N 3.36Å; D364-M366 PolarHBondContact OD1-N 3.46Å; D364-K367 HydrophobicContact CB-CB 4.25Å; D364-K367 PolarHBondContact O-N 3.07Å; D364-K367 PolarHBondContact OD1-N 2.83Å; D364-K367 WeakPolarHBondContact OD2-CD 3.37Å; D364-K367 WeakPolarHBondContact OD2-CE 3.15Å; D364-K367 WeakPolarHBondContact OD2-CG 3.3Å; D364-K367 IonicContact OD2-NZ 2.58Å; D364-K367 PolarHBondContact OD2-NZ 3.49Å; D364-Q368 VanDerWaalsContact O-CA 3.25Å; D364-Q368 WeakPolarHBondContact O-CA 3.09Å; D364-Q368 PolarHBondContact O-N 3.13Å; D364-H369 PolarHBondContact N-O 3.17Å
365	T	84.3	Confident	91.7	Very high	107 Å²	107	76.2 Å²	76.2	66%	0.656	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-22.9	-176.3	51	0	0	0	0	113	L363 Q368	L363-T365 PolarHBondContact O-N 3.07Å; T365-Q368 PolarHBondContact O-NE2 2.9Å
366	M	79.1	Confident	91.8	Very high	176 Å²	176	75.7 Å²	75.7	87%	0.867	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-41.5	177.4	-62.7	-149.4	74.4	0	0	111.8	D364	D364-M366 PolarHBondContact O-N 3.36Å; D364-M366 PolarHBondContact OD1-N 3.46Å
367	K	79.7	Confident	92	Very high	108 Å²	108	77 Å²	77	47%	0.47	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-14	179.9	-57.7	-172.6	-157.1	113.5	0	114.4	D330 D364 H369	D330-K367 IonicContact OD2-NZ 2.89Å; D364-K367 HydrophobicContact CB-CB 4.25Å; D364-K367 PolarHBondContact O-N 3.07Å; D364-K367 PolarHBondContact OD1-N 2.83Å; D364-K367 WeakPolarHBondContact OD2-CD 3.37Å; D364-K367 WeakPolarHBondContact OD2-CE 3.15Å; D364-K367 WeakPolarHBondContact OD2-CG 3.3Å; D364-K367 IonicContact OD2-NZ 2.58Å; D364-K367 PolarHBondContact OD2-NZ 3.49Å; K367-H369 HydrophobicContact CB-CB 4.38Å; K367-H369 PolarHBondContact O-CD2 2.88Å; K367-H369 PolarHBondContact O-N 3.47Å; K367-H369 PolarHBondContact O-NE2 3.38Å
368	Q	85	Confident	92.3	Very high	92 Å²	92	74.1 Å²	74.1	43%	0.43	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	31.2	-171.7	-62.1	-67.1	-53.7	0	0	113.7	D364 T365	D364-Q368 VanDerWaalsContact O-CA 3.25Å; D364-Q368 WeakPolarHBondContact O-CA 3.09Å; D364-Q368 PolarHBondContact O-N 3.13Å; T365-Q368 PolarHBondContact O-NE2 2.9Å
369	H	90.3	Very high	92.5	Very high	36 Å²	36	69.6 Å²	69.6	17%	0.167	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	144.3	178.4	-60.9	167.3	0	0	0	110.7	H328 L335 D364 K367	H328-H369 HydrophobicContact CB-CB 4.16Å; H328-H369 WeakPolarHBondContact CB-CD2 3.31Å; H328-H369 AromaticContact CD2-NE2 3.92Å; H328-H369 AromaticContact CG-CD2 3.76Å; H328-H369 AromaticContact CG-NE2 3.69Å; L335-H369 WeakPolarHBondContact CD1-ND1 3.49Å; D364-H369 PolarHBondContact N-O 3.17Å; K367-H369 HydrophobicContact CB-CB 4.38Å; K367-H369 PolarHBondContact O-CD2 2.88Å; K367-H369 PolarHBondContact O-N 3.47Å; K367-H369 PolarHBondContact O-NE2 3.38Å
370	Y	96.2	Very high	92.7	Very high	87 Å²	87	71.4 Å²	71.4	34%	0.341	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	144.5	173.2	-66	-73.7	0	0	0	110.8	V327 H328 I329 D330 F355 I361 V362 L363	V327-Y370 HydrophobicContact CG1-CD2 3.87Å; V327-Y370 HydrophobicContact CG1-CE2 4.01Å; H328-Y370 PolarHBondContact O-N 3.47Å; I329-Y370 CarbonylContact C-O 3.54Å; I329-Y370 VanDerWaalsContact CA-O 3.27Å; I329-Y370 WeakPolarHBondContact CA-O 3.4Å; D330-Y370 PolarHBondContact N-O 3.04Å; F355-Y370 AromaticContact CE1-CD2 3.78Å; F355-Y370 HydrophobicContact CE1-CD2 3.78Å; F355-Y370 HydrophobicContact CE1-CE2 4.23Å; F355-Y370 HydrophobicContact CE1-CG 4.03Å; F355-Y370 HydrophobicContact CZ-CG 4.48Å; I361-Y370 HydrophobicContact CB-CD1 4.47Å; I361-Y370 HydrophobicContact CD1-CD1 4.34Å; I361-Y370 HydrophobicContact CD1-CG 4.32Å; I361-Y370 HydrophobicContact CG1-CD1 4.18Å; I361-Y370 HydrophobicContact CG2-CD1 3.56Å; I361-Y370 HydrophobicContact CG2-CE1 3.8Å; I361-Y370 HydrophobicContact CG2-CG 4.48Å; V362-Y370 CarbonylContact O-C 3.57Å; V362-Y370 WeakPolarHBondContact O-CA 3.33Å; L363-Y370 HydrophobicContact CD1-CD1 4.06Å; L363-Y370 HydrophobicContact CD1-CE1 4.1Å; L363-Y370 HydrophobicContact CD1-CG 4.46Å
371	F	96.2	Very high	93	Very high	71 Å²	71	66 Å²	66	31%	0.311	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.6	179.8	177.3	-108.8	0	0	0	112.2	D330 V362 D373	D330-F371 HydrophobicContact CB-CD2 4.16Å; D330-F371 CarbonylContact O-C 3.53Å; D330-F371 WeakPolarHBondContact O-CA 3.28Å; D330-F371 WeakPolarHBondContact O-CD2 3.41Å; V362-F371 HydrophobicContact CB-CB 4.16Å; V362-F371 HydrophobicContact CB-CD1 4.41Å; V362-F371 HydrophobicContact CG1-CB 4.11Å; V362-F371 HydrophobicContact CG1-CD1 4.35Å; V362-F371 PolarHBondContact O-N 2.79Å; F371-D373 HydrophobicContact CE1-CB 3.79Å; F371-D373 HydrophobicContact CZ-CB 3.89Å
372	I	96.9	Very high	93.2	Very high	8 Å²	8	64 Å²	64	4%	0.041	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	118.5	173.6	-56.1	-179.5	0	0	0	108.9	I329 D330 V331 G332 L351 F355 I361 R374 Y410	I329-I372 HydrophobicContact CG2-CD1 3.79Å; I329-I372 HydrophobicContact CG2-CG1 3.94Å; D330-I372 PolarHBondContact O-N 3.48Å; V331-I372 WeakPolarHBondContact CA-O 3.46Å; V331-I372 HydrophobicContact CG1-CB 4.38Å; V331-I372 HydrophobicContact CG1-CG2 4.5Å; V331-I372 HydrophobicContact CG2-CB 4.31Å; G332-I372 PolarHBondContact N-O 2.92Å; L351-I372 HydrophobicContact CD1-CD1 4.1Å; F355-I372 HydrophobicContact CE2-CD1 4.33Å; I361-I372 HydrophobicContact CD1-CD1 4.19Å; I361-I372 HydrophobicContact CD1-CG1 3.95Å; I372-R374 HydrophobicContact CG2-CB 4.12Å; I372-R374 HydrophobicContact CG2-CG 3.87Å; I372-R374 PolarHBondContact O-N 2.99Å; I372-Y410 HydrophobicContact CD1-CE1 4.43Å; I372-Y410 HydrophobicContact CG2-CE1 4.12Å
373	D	97.1	Very high	93.5	Very high	132 Å²	132	59.7 Å²	59.7	71%	0.706	29%	0.293	S	S	*	.			trans	-81.1	77.1	178.1	-167.7	24	0	0	0	111.4	F371	F371-D373 HydrophobicContact CE1-CB 3.79Å; F371-D373 HydrophobicContact CZ-CB 3.89Å
374	R	98	Very high	93.7	Very high	57 Å²	57	59 Å²	59	22%	0.215	29%	0.29	C	S	.	.	S	Bend	trans	-148.6	174.6	179.2	-70.2	-54.5	-65.4	-178.5	2	111.2	V331 G332 I372 G376 E405 E406 F409 Y410	V331-R374 HydrophobicContact CG1-CB 4.16Å; G332-R374 WeakPolarHBondContact CA-O 3.47Å; G332-R374 PolarHBondContact N-O 2.93Å; I372-R374 HydrophobicContact CG2-CB 4.12Å; I372-R374 HydrophobicContact CG2-CG 3.87Å; I372-R374 PolarHBondContact O-N 2.99Å; R374-G376 PolarHBondContact O-N 3.26Å; R374-G376 VanDerWaalsContact O-N 3.1Å; R374-E405 IonicContact NH2-OE1 3.48Å; R374-E405 PolarHBondContact NH2-OE1 3.35Å; R374-E406 IonicContact CZ-OE1 3.62Å; R374-E406 VanDerWaalsContact CZ-OE1 3.29Å; R374-E406 IonicContact CZ-OE2 3.07Å; R374-E406 IonicContact NE-OE1 2.69Å; R374-E406 PolarHBondContact NE-OE1 2.88Å; R374-E406 IonicContact NE-OE2 3.62Å; R374-E406 PolarHBondContact NE-OE2 3.42Å; R374-E406 IonicContact NH2-OE1 3.87Å; R374-E406 PolarHBondContact NH2-OE1 3.05Å; R374-E406 IonicContact NH2-OE2 2.75Å; R374-F409 HydrophobicContact CG-CD1 3.66Å; R374-F409 HydrophobicContact CG-CE1 3.37Å; R374-F409 HydrophobicContact CG-CE2 4.49Å; R374-F409 HydrophobicContact CG-CG 4.35Å; R374-F409 HydrophobicContact CG-CZ 3.83Å; R374-Y410 WeakPolarHBondContact CB-OH 3.48Å
375	D	97.7	Very high	94.3	Very high	64 Å²	64	57.1 Å²	57.1	34%	0.342	28%	0.28	S	S	.	.			trans	-64.1	108.8	177.7	-169.7	-57.5	0	0	0	112.2	V377 L378 F379	D375-V377 PolarHBondContact O-N 3.05Å; D375-V377 WeakPolarHBondContact OD1-CA 3.23Å; D375-V377 WeakPolarHBondContact OD1-CB 3.33Å; D375-V377 PolarHBondContact OD1-N 2.89Å; D375-L378 HydrophobicContact CB-CB 4.16Å; D375-L378 HydrophobicContact CB-CD1 4.07Å; D375-L378 HydrophobicContact CB-CG 4.28Å; D375-L378 WeakPolarHBondContact OD1-CG 3.49Å; D375-L378 PolarHBondContact OD1-N 3.41Å; D375-F379 PolarHBondContact O-N 3.01Å; D375-F379 VanDerWaalsContact O-N 3.12Å
376	G	97.3	Very high	94.9	Very high	5 Å²	5	52.1 Å²	52.1	5%	0.052	25%	0.249	C	C	.	.	H	α-helix	trans	-64	-35.9	178.3	0	0	0	0	0	114	V331 Y336 R374 F379	V331-G376 WeakPolarHBondContact O-CA 3.38Å; Y336-G376 WeakPolarHBondContact CE2-O 3.46Å; Y336-G376 PolarHBondContact OH-O 2.93Å; R374-G376 PolarHBondContact O-N 3.26Å; R374-G376 VanDerWaalsContact O-N 3.1Å; G376-F379 PolarHBondContact O-N 2.96Å
377	V	96.8	Very high	95.8	Very high	90 Å²	90	49.2 Å²	49.2	55%	0.545	23%	0.228	S	C	.	.	H	α-helix	trans	-69.4	-44	-177.2	-179.2	0	0	0	0	110.6	D375 R380	D375-V377 PolarHBondContact O-N 3.05Å; D375-V377 WeakPolarHBondContact OD1-CA 3.23Å; D375-V377 WeakPolarHBondContact OD1-CB 3.33Å; D375-V377 PolarHBondContact OD1-N 2.89Å; V377-R380 VanDerWaalsContact O-CB 3.31Å; V377-R380 WeakPolarHBondContact O-CB 3.37Å; V377-R380 PolarHBondContact O-N 2.9Å
378	L	97.8	Very high	96.6	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-71	-30.3	178.6	-64.4	177.1	0	0	0	112.2	D375 R380 H381 F397 E399 Q402 L403 E406	D375-L378 HydrophobicContact CB-CB 4.16Å; D375-L378 HydrophobicContact CB-CD1 4.07Å; D375-L378 HydrophobicContact CB-CG 4.28Å; D375-L378 WeakPolarHBondContact OD1-CG 3.49Å; D375-L378 PolarHBondContact OD1-N 3.41Å; L378-R380 PolarHBondContact O-N 3.48Å; L378-R380 VanDerWaalsContact O-N 3.11Å; L378-H381 WeakPolarHBondContact O-CB 3.3Å; L378-H381 PolarHBondContact O-N 2.93Å; L378-F397 HydrophobicContact CD2-CZ 4.03Å; L378-E399 HydrophobicContact CD2-CB 4.07Å; L378-Q402 HydrophobicContact CD1-CB 3.46Å; L378-Q402 VanDerWaalsContact CD1-CB 3.46Å; L378-L403 HydrophobicContact CB-CD1 4.48Å; L378-L403 HydrophobicContact CD2-CB 4.44Å; L378-E406 HydrophobicContact CB-CG 3.88Å; L378-E406 HydrophobicContact CD1-CG 3.97Å
379	F	98.4	Very high	97.1	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-56.4	-28.5	176.4	-170.3	-105	0	0	0	113.5	I329 V331 Y336 L351 D375 G376 H381 V382 L383 Y410	I329-F379 HydrophobicContact CD1-CZ 4.47Å; V331-F379 HydrophobicContact CB-CB 4.43Å; V331-F379 HydrophobicContact CB-CD1 4.46Å; V331-F379 HydrophobicContact CB-CG 4.37Å; V331-F379 HydrophobicContact CG1-CB 3.98Å; V331-F379 HydrophobicContact CG1-CD2 4.34Å; V331-F379 HydrophobicContact CG1-CG 4.09Å; V331-F379 HydrophobicContact CG2-CD1 3.76Å; V331-F379 HydrophobicContact CG2-CD2 4.36Å; V331-F379 HydrophobicContact CG2-CE1 3.93Å; V331-F379 HydrophobicContact CG2-CG 3.97Å; V331-F379 HydrophobicContact CG2-CZ 4.3Å; Y336-F379 HydrophobicContact CD1-CD1 4.38Å; Y336-F379 AromaticContact CD2-CD1 3.55Å; Y336-F379 HydrophobicContact CD2-CD1 3.55Å; Y336-F379 HydrophobicContact CD2-CE1 4.18Å; Y336-F379 HydrophobicContact CE2-CB 4.14Å; Y336-F379 AromaticContact CE2-CD1 3.8Å; Y336-F379 HydrophobicContact CE2-CD1 3.8Å; Y336-F379 HydrophobicContact CE2-CG 4.44Å; Y336-F379 AromaticContact CG-CD1 3.87Å; Y336-F379 HydrophobicContact CG-CD1 3.87Å; Y336-F379 HydrophobicContact CG-CE1 4.18Å; L351-F379 HydrophobicContact CD2-CE2 4.07Å; L351-F379 HydrophobicContact CD2-CZ 4.43Å; D375-F379 PolarHBondContact O-N 3.01Å; D375-F379 VanDerWaalsContact O-N 3.12Å; G376-F379 PolarHBondContact O-N 2.96Å; F379-H381 PolarHBondContact O-N 3.17Å; F379-V382 HydrophobicContact CD2-CB 4.16Å; F379-V382 HydrophobicContact CD2-CG1 4.25Å; F379-V382 HydrophobicContact CE2-CG1 4.15Å; F379-V382 WeakPolarHBondContact O-CB 3.42Å; F379-V382 PolarHBondContact O-N 3.23Å; F379-V382 VanDerWaalsContact O-N 3.13Å; F379-L383 HydrophobicContact CD1-CB 4.45Å; F379-L383 HydrophobicContact CE1-CB 4.27Å; F379-L383 HydrophobicContact CE1-CD1 4.34Å; F379-L383 HydrophobicContact CE1-CD2 4.29Å; F379-L383 WeakPolarHBondContact O-CB 3.4Å; F379-L383 PolarHBondContact O-N 2.98Å; F379-Y410 HydrophobicContact CD2-CE1 4.31Å; F379-Y410 AromaticContact CD2-CE2 3.71Å; F379-Y410 HydrophobicContact CD2-CE2 3.71Å; F379-Y410 AromaticContact CD2-CZ 3.53Å; F379-Y410 VanDerWaalsContact CD2-OH 3.27Å; F379-Y410 WeakPolarHBondContact CD2-OH 3.44Å; F379-Y410 HydrophobicContact CE2-CE1 4.03Å; F379-Y410 HydrophobicContact CE2-CE2 4.12Å; F379-Y410 AromaticContact CE2-CZ 3.71Å
380	R	97.7	Very high	97.4	Very high	93 Å²	93	50.7 Å²	50.7	35%	0.351	24%	0.242	S	C	.	.	H	α-helix	trans	-49.2	-41.7	169.7	-174.5	-178.8	63.7	113.2	-5.3	112.8	Y336 V377 L378 N384	Y336-R380 HydrophobicContact CE1-CB 4.35Å; V377-R380 VanDerWaalsContact O-CB 3.31Å; V377-R380 WeakPolarHBondContact O-CB 3.37Å; V377-R380 PolarHBondContact O-N 2.9Å; L378-R380 PolarHBondContact O-N 3.48Å; L378-R380 VanDerWaalsContact O-N 3.11Å; R380-N384 WeakPolarHBondContact O-CB 3.48Å; R380-N384 PolarHBondContact O-N 3.22Å; R380-N384 PolarHBondContact O-ND2 3.25Å; R380-N384 VanDerWaalsContact O-ND2 3.17Å
381	H	98.1	Very high	97.4	Very high	12 Å²	12	47.5 Å²	47.5	6%	0.056	23%	0.231	C	C	.	.	H	α-helix	trans	-74.7	-39.4	-178.6	-64.2	-86.8	0	0	0	111.6	L378 F379 N384 F385 L393 F397 L403 M415	L378-H381 WeakPolarHBondContact O-CB 3.3Å; L378-H381 PolarHBondContact O-N 2.93Å; F379-H381 PolarHBondContact O-N 3.17Å; H381-N384 PolarHBondContact O-N 3.25Å; H381-F385 WeakPolarHBondContact O-CB 3.44Å; H381-F385 PolarHBondContact O-N 3.32Å; H381-L393 VanDerWaalsContact ND1-CD2 3.33Å; H381-L393 WeakPolarHBondContact ND1-CD2 3.19Å; H381-F397 AromaticContact CE1-CE2 3.74Å; H381-F397 AromaticContact NE2-CE2 3.49Å; H381-F397 WeakPolarHBondContact NE2-CE2 3.3Å; H381-L403 HydrophobicContact CB-CD1 3.65Å; H381-L403 HydrophobicContact CB-CD2 3.89Å; H381-L403 HydrophobicContact CB-CG 4.46Å; H381-M415 HydrophobicContact CB-CE 4.4Å
382	V	98.5	Very high	97.1	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58	-50.3	172	175.1	0	0	0	0	110.2	L351 F379 N384 F385 L386 E406 Y410 L412 M415	L351-V382 HydrophobicContact CD2-CG1 3.99Å; F379-V382 HydrophobicContact CD2-CB 4.16Å; F379-V382 HydrophobicContact CD2-CG1 4.25Å; F379-V382 HydrophobicContact CE2-CG1 4.15Å; F379-V382 WeakPolarHBondContact O-CB 3.42Å; F379-V382 PolarHBondContact O-N 3.23Å; F379-V382 VanDerWaalsContact O-N 3.13Å; V382-N384 VanDerWaalsContact C-N 3.35Å; V382-N384 PolarHBondContact O-N 3.27Å; V382-F385 WeakPolarHBondContact O-CB 3.32Å; V382-F385 PolarHBondContact O-N 3.45Å; V382-L386 WeakPolarHBondContact O-CG 3.35Å; V382-L386 PolarHBondContact O-N 3.4Å; V382-E406 HydrophobicContact CG2-CB 4.36Å; V382-Y410 HydrophobicContact CB-CD2 4.4Å; V382-Y410 HydrophobicContact CG1-CD2 3.86Å; V382-Y410 HydrophobicContact CG1-CE2 4.34Å; V382-Y410 HydrophobicContact CG1-CG 4.31Å; V382-Y410 HydrophobicContact CG2-CD2 3.84Å; V382-Y410 HydrophobicContact CG2-CE2 4.06Å; V382-L412 HydrophobicContact CG1-CD1 3.65Å; V382-M415 HydrophobicContact CG2-CE 4.11Å; V382-M415 HydrophobicContact CG2-SD 4.3Å
383	L	98.3	Very high	96.9	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-65	-36.7	-179.5	-165.5	61.2	0	0	0	112.6	Y336 V342 L343 F379 L386 R387	Y336-L383 HydrophobicContact CD1-CD2 3.73Å; Y336-L383 HydrophobicContact CE1-CD2 4.5Å; Y336-L383 HydrophobicContact CG-CD2 4.27Å; V342-L383 HydrophobicContact CG1-CD1 4.14Å; L343-L383 HydrophobicContact CD2-CD1 4.16Å; F379-L383 HydrophobicContact CD1-CB 4.45Å; F379-L383 HydrophobicContact CE1-CB 4.27Å; F379-L383 HydrophobicContact CE1-CD1 4.34Å; F379-L383 HydrophobicContact CE1-CD2 4.29Å; F379-L383 WeakPolarHBondContact O-CB 3.4Å; F379-L383 PolarHBondContact O-N 2.98Å; L383-L386 HydrophobicContact CD1-CD1 4.49Å; L383-L386 PolarHBondContact O-N 3.45Å; L383-R387 VanDerWaalsContact O-CG 3.29Å; L383-R387 WeakPolarHBondContact O-CG 3.06Å; L383-R387 PolarHBondContact O-N 3.37Å
384	N	97.9	Very high	96.6	Very high	59 Å²	59	47.3 Å²	47.3	32%	0.316	23%	0.233	S	C	.	.	H	α-helix	trans	-70.8	-34.2	174.1	-75.4	-24.1	0	0	0	113	R380 H381 V382 R387 T388	R380-N384 WeakPolarHBondContact O-CB 3.48Å; R380-N384 PolarHBondContact O-N 3.22Å; R380-N384 PolarHBondContact O-ND2 3.25Å; R380-N384 VanDerWaalsContact O-ND2 3.17Å; H381-N384 PolarHBondContact O-N 3.25Å; V382-N384 VanDerWaalsContact C-N 3.35Å; V382-N384 PolarHBondContact O-N 3.27Å; N384-R387 PolarHBondContact O-N 3.27Å; N384-T388 WeakPolarHBondContact O-CB 3.19Å; N384-T388 PolarHBondContact O-N 3.36Å; N384-T388 PolarHBondContact O-OG1 2.74Å
385	F	98.4	Very high	95.9	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-61.8	-49.6	170.1	173.2	-94.5	0	0	0	110.4	Y346 H381 V382 R387 T388 N389 V391 L412 E414 M415	Y346-F385 HydrophobicContact CD2-CE1 4.38Å; Y346-F385 HydrophobicContact CE2-CD1 4.49Å; Y346-F385 AromaticContact CE2-CE1 3.66Å; Y346-F385 HydrophobicContact CE2-CE1 3.66Å; Y346-F385 HydrophobicContact CE2-CZ 4.24Å; Y346-F385 AromaticContact CZ-CE1 3.88Å; H381-F385 WeakPolarHBondContact O-CB 3.44Å; H381-F385 PolarHBondContact O-N 3.32Å; V382-F385 WeakPolarHBondContact O-CB 3.32Å; V382-F385 PolarHBondContact O-N 3.45Å; F385-R387 VanDerWaalsContact C-N 3.3Å; F385-R387 PolarHBondContact O-N 2.94Å; F385-T388 PolarHBondContact O-N 3.29Å; F385-T388 VanDerWaalsContact O-N 3.17Å; F385-N389 VanDerWaalsContact O-CA 3.3Å; F385-N389 WeakPolarHBondContact O-CA 3.35Å; F385-N389 PolarHBondContact O-N 3.21Å; F385-V391 HydrophobicContact CD2-CG2 3.88Å; F385-V391 HydrophobicContact CE2-CG2 4.41Å; F385-L412 HydrophobicContact CD1-CD1 4.44Å; F385-E414 HydrophobicContact CZ-CB 3.88Å; F385-M415 HydrophobicContact CB-CE 4.33Å; F385-M415 HydrophobicContact CB-CG 4.28Å; F385-M415 HydrophobicContact CB-SD 3.65Å; F385-M415 HydrophobicContact CD1-CB 3.81Å; F385-M415 HydrophobicContact CD1-CG 4.15Å; F385-M415 HydrophobicContact CD1-SD 3.93Å; F385-M415 HydrophobicContact CD2-CB 3.95Å; F385-M415 HydrophobicContact CD2-CG 3.92Å; F385-M415 HydrophobicContact CD2-SD 4.38Å; F385-M415 HydrophobicContact CE1-CB 3.76Å; F385-M415 HydrophobicContact CE2-CB 3.88Å; F385-M415 HydrophobicContact CE2-CG 4.33Å; F385-M415 HydrophobicContact CG-CB 3.92Å; F385-M415 HydrophobicContact CG-CG 3.83Å; F385-M415 HydrophobicContact CG-SD 3.71Å; F385-M415 HydrophobicContact CZ-CB 3.8Å
386	L	98	Very high	95.3	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-57.5	-40.9	175.6	-66.3	175.9	0	0	0	112.3	V342 K345 Y346 L351 V382 L383 L412	V342-L386 HydrophobicContact CG1-CB 3.66Å; V342-L386 HydrophobicContact CG1-CD1 4.48Å; K345-L386 WeakPolarHBondContact CD-O 3.36Å; K345-L386 WeakPolarHBondContact CE-O 3.33Å; K345-L386 PolarHBondContact NZ-O 3.08Å; Y346-L386 HydrophobicContact CD2-CD2 3.72Å; Y346-L386 HydrophobicContact CE2-CD2 4.29Å; L351-L386 HydrophobicContact CD2-CD1 3.74Å; V382-L386 WeakPolarHBondContact O-CG 3.35Å; V382-L386 PolarHBondContact O-N 3.4Å; L383-L386 HydrophobicContact CD1-CD1 4.49Å; L383-L386 PolarHBondContact O-N 3.45Å; L386-L412 HydrophobicContact CD2-CD1 4.34Å; L386-L412 HydrophobicContact CD2-CD2 3.98Å
387	R	97.5	Very high	95.1	Very high	115 Å²	115	52.7 Å²	52.7	43%	0.434	27%	0.268	S	S	.	.	H	α-helix	trans	-64.3	-44	176.4	-71.9	166.4	178.5	159.2	-2.8	112.3	T337 V342 K345 L383 N384 F385	T337-R387 PolarHBondContact O-NH2 3.15Å; V342-R387 HydrophobicContact CG1-CG 3.79Å; V342-R387 HydrophobicContact CG2-CG 4.29Å; K345-R387 PolarHBondContact NZ-O 3.48Å; L383-R387 VanDerWaalsContact O-CG 3.29Å; L383-R387 WeakPolarHBondContact O-CG 3.06Å; L383-R387 PolarHBondContact O-N 3.37Å; N384-R387 PolarHBondContact O-N 3.27Å; F385-R387 VanDerWaalsContact C-N 3.3Å; F385-R387 PolarHBondContact O-N 2.94Å
388	T	96.5	Very high	94.8	Very high	66 Å²	66	54.1 Å²	54.1	41%	0.405	28%	0.278	S	S	.	.	H	α-helix	trans	-111.9	-9.7	-164.3	65.9	0	0	0	0	116.7	N384 F385 K390	N384-T388 WeakPolarHBondContact O-CB 3.19Å; N384-T388 PolarHBondContact O-N 3.36Å; N384-T388 PolarHBondContact O-OG1 2.74Å; F385-T388 PolarHBondContact O-N 3.29Å; F385-T388 VanDerWaalsContact O-N 3.17Å; T388-K390 PolarHBondContact O-N 3.03Å; T388-K390 PolarHBondContact OG1-N 2.91Å; T388-K390 PolarHBondContact OG1-O 3.1Å
389	N	95.6	Very high	94.6	Very high	68 Å²	68	57.4 Å²	57.4	36%	0.364	29%	0.293	S	S	.	.	S	Bend	trans	55.7	20	-166.2	-67.2	-4.6	0	0	0	114.6	K345 Y346 F385 Q418	K345-N389 WeakPolarHBondContact CE-OD1 3.45Å; K345-N389 PolarHBondContact NZ-OD1 3.03Å; Y346-N389 PolarHBondContact OH-OD1 3.09Å; F385-N389 VanDerWaalsContact O-CA 3.3Å; F385-N389 WeakPolarHBondContact O-CA 3.35Å; F385-N389 PolarHBondContact O-N 3.21Å; N389-Q418 PolarHBondContact O-NE2 3Å
390	K	96	Very high	94.4	Very high	134 Å²	134	58.1 Å²	58.1	58%	0.583	30%	0.296	S	S	*	.	S	Bend	trans	-133.2	131.9	-175.4	-66	-179.1	-176.9	-177.3	0	111.2	T388 N392	T388-K390 PolarHBondContact O-N 3.03Å; T388-K390 PolarHBondContact OG1-N 2.91Å; T388-K390 PolarHBondContact OG1-O 3.1Å; K390-N392 PolarHBondContact O-N 2.71Å
391	V	96.2	Very high	94.3	Very high	19 Å²	19	58.1 Å²	58.1	12%	0.115	30%	0.303	C	S	.	.			trans	-76.5	102.8	167.7	175.1	0	0	0	0	108.4	F385 L393 M415 Q418 L419 I422	F385-V391 HydrophobicContact CD2-CG2 3.88Å; F385-V391 HydrophobicContact CE2-CG2 4.41Å; V391-L393 HydrophobicContact CG1-CD1 3.87Å; V391-L393 HydrophobicContact CG1-CD2 4.34Å; V391-L393 HydrophobicContact CG1-CG 3.75Å; V391-M415 HydrophobicContact CG2-CG 3.86Å; V391-Q418 HydrophobicContact CB-CB 4.16Å; V391-Q418 HydrophobicContact CG2-CB 3.64Å; V391-L419 HydrophobicContact CG1-CD2 3.71Å; V391-L419 HydrophobicContact CG1-CG 4.26Å; V391-L419 HydrophobicContact CG2-CG 4.31Å; V391-I422 HydrophobicContact CB-CD1 3.94Å; V391-I422 HydrophobicContact CG1-CD1 3.57Å
392	N	90.8	Very high	94.3	Very high	102 Å²	102	61.6 Å²	61.6	55%	0.545	32%	0.319	S	S	.	.			trans	-105.3	109.8	172.9	-56.3	-60.3	0	0	0	108	K390	K390-N392 PolarHBondContact O-N 2.71Å
393	L	93	Very high	94.2	Very high	36 Å²	36	61.6 Å²	61.6	19%	0.188	32%	0.319	C	S	.	.			trans	-119	148.1	177.1	-59	176.4	0	0	0	109.3	H381 V391 F397 F400 L403 L419	H381-L393 VanDerWaalsContact ND1-CD2 3.33Å; H381-L393 WeakPolarHBondContact ND1-CD2 3.19Å; V391-L393 HydrophobicContact CG1-CD1 3.87Å; V391-L393 HydrophobicContact CG1-CD2 4.34Å; V391-L393 HydrophobicContact CG1-CG 3.75Å; L393-F397 HydrophobicContact CB-CB 4.1Å; L393-F397 HydrophobicContact CB-CD1 4.49Å; L393-F397 HydrophobicContact CB-CG 4.27Å; L393-F397 HydrophobicContact CD1-CD1 3.84Å; L393-F397 HydrophobicContact CD1-CE1 4.25Å; L393-F397 HydrophobicContact CD1-CG 4.45Å; L393-F397 HydrophobicContact CD2-CD1 4.08Å; L393-F397 HydrophobicContact CD2-CD2 4.4Å; L393-F397 HydrophobicContact CD2-CE1 4.13Å; L393-F397 HydrophobicContact CD2-CE2 4.48Å; L393-F397 HydrophobicContact CD2-CG 4.2Å; L393-F397 HydrophobicContact CD2-CZ 4.34Å; L393-F397 HydrophobicContact CG-CD1 4.35Å; L393-F400 HydrophobicContact CD1-CD2 4.13Å; L393-F400 HydrophobicContact CD1-CE2 3.7Å; L393-L403 HydrophobicContact CD1-CD2 4.27Å; L393-L403 HydrophobicContact CD2-CD2 3.52Å; L393-L419 HydrophobicContact CD1-CD2 3.87Å
394	D	90.3	Very high	94.2	Very high	69 Å²	69	62.8 Å²	62.8	37%	0.369	33%	0.326	S	S	.	.			trans	-68.4	147.6	175.1	-54.4	-54.2	0	0	0	109.5	N396 F397	D394-N396 PolarHBondContact O-N 3.49Å; D394-F397 VanDerWaalsContact O-CB 3.28Å; D394-F397 WeakPolarHBondContact O-CB 3.34Å; D394-F397 PolarHBondContact O-N 3.5Å
395	P	83.6	Confident	94.2	Very high	83 Å²	83	65.4 Å²	65.4	54%	0.539	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-28.6	-177.7	-28.1	34.6	0	0	0	114.7	D604	P395-D604 WeakPolarHBondContact CD-OD1 3.31Å
396	N	85.2	Confident	94.2	Very high	124 Å²	124	65.9 Å²	65.9	66%	0.663	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	18.2	-178	-56.4	-48.6	0	0	0	113.2	D394 T398 D604	D394-N396 PolarHBondContact O-N 3.49Å; N396-T398 PolarHBondContact O-N 2.9Å; N396-T398 VanDerWaalsContact O-N 3.15Å; N396-D604 PolarHBondContact ND2-OD1 2.98Å
397	F	91.9	Very high	94.2	Very high	32 Å²	32	65.8 Å²	65.8	14%	0.14	34%	0.339	C	S	.	.			trans	-65.2	112	-177.8	-174.1	-101.8	0	0	0	112.2	L378 H381 L393 D394 E399 F400 L403	L378-F397 HydrophobicContact CD2-CZ 4.03Å; H381-F397 AromaticContact CE1-CE2 3.74Å; H381-F397 AromaticContact NE2-CE2 3.49Å; H381-F397 WeakPolarHBondContact NE2-CE2 3.3Å; L393-F397 HydrophobicContact CB-CB 4.1Å; L393-F397 HydrophobicContact CB-CD1 4.49Å; L393-F397 HydrophobicContact CB-CG 4.27Å; L393-F397 HydrophobicContact CD1-CD1 3.84Å; L393-F397 HydrophobicContact CD1-CE1 4.25Å; L393-F397 HydrophobicContact CD1-CG 4.45Å; L393-F397 HydrophobicContact CD2-CD1 4.08Å; L393-F397 HydrophobicContact CD2-CD2 4.4Å; L393-F397 HydrophobicContact CD2-CE1 4.13Å; L393-F397 HydrophobicContact CD2-CE2 4.48Å; L393-F397 HydrophobicContact CD2-CG 4.2Å; L393-F397 HydrophobicContact CD2-CZ 4.34Å; L393-F397 HydrophobicContact CG-CD1 4.35Å; D394-F397 VanDerWaalsContact O-CB 3.28Å; D394-F397 WeakPolarHBondContact O-CB 3.34Å; D394-F397 PolarHBondContact O-N 3.5Å; F397-E399 VanDerWaalsContact CE1-C 3.44Å; F397-E399 HydrophobicContact CE1-CB 4.25Å; F397-E399 WeakPolarHBondContact CE1-O 3.5Å; F397-E399 HydrophobicContact CE2-CB 4.38Å; F397-E399 HydrophobicContact CZ-CB 3.88Å; F397-F400 HydrophobicContact CD1-CD2 4.38Å; F397-L403 HydrophobicContact CE1-CB 4.02Å; F397-L403 HydrophobicContact CE1-CD2 3.78Å; F397-L403 HydrophobicContact CZ-CB 4.09Å; F397-L403 HydrophobicContact CZ-CD2 3.84Å
398	T	91.6	Very high	94.3	Very high	121 Å²	121	64.3 Å²	64.3	74%	0.742	34%	0.342	S	S	*	.			trans	-87	-29.7	-174.2	44.7	0	0	0	0	114.2	N396 F400	N396-T398 PolarHBondContact O-N 2.9Å; N396-T398 VanDerWaalsContact O-N 3.15Å; T398-F400 PolarHBondContact O-N 2.79Å
399	E	94	Very high	94.3	Very high	69 Å²	69	64.7 Å²	64.7	32%	0.322	34%	0.339	S	S	.	.			trans	-88	41.1	-167.1	-59.3	177.4	109.4	0	0	112.7	L378 F397 D401 Q402 L403	L378-E399 HydrophobicContact CD2-CB 4.07Å; F397-E399 VanDerWaalsContact CE1-C 3.44Å; F397-E399 HydrophobicContact CE1-CB 4.25Å; F397-E399 WeakPolarHBondContact CE1-O 3.5Å; F397-E399 HydrophobicContact CE2-CB 4.38Å; F397-E399 HydrophobicContact CZ-CB 3.88Å; E399-D401 VanDerWaalsContact C-N 3.34Å; E399-D401 PolarHBondContact O-N 3.21Å; E399-Q402 VanDerWaalsContact CA-OE1 3.29Å; E399-L403 WeakPolarHBondContact O-CB 3.39Å; E399-L403 PolarHBondContact O-N 3.37Å
400	F	93.9	Very high	94.5	Very high	15 Å²	15	61.5 Å²	61.5	7%	0.066	32%	0.321	C	S	.	.	H	α-helix	trans	-63.1	-40.8	-169.9	-156.5	-76.9	0	0	0	112.8	L393 F397 T398 V404 L419 I422 K423 M426	L393-F400 HydrophobicContact CD1-CD2 4.13Å; L393-F400 HydrophobicContact CD1-CE2 3.7Å; F397-F400 HydrophobicContact CD1-CD2 4.38Å; T398-F400 PolarHBondContact O-N 2.79Å; F400-V404 HydrophobicContact CD1-CG2 4.07Å; F400-V404 HydrophobicContact CE1-CG2 3.91Å; F400-V404 WeakPolarHBondContact O-CG2 3.46Å; F400-V404 PolarHBondContact O-N 2.87Å; F400-V404 VanDerWaalsContact O-N 3.14Å; F400-L419 HydrophobicContact CE1-CB 3.85Å; F400-L419 HydrophobicContact CE1-CD2 3.99Å; F400-L419 WeakPolarHBondContact CE1-O 3.37Å; F400-L419 HydrophobicContact CE2-CD2 4.08Å; F400-L419 HydrophobicContact CZ-CB 3.87Å; F400-L419 HydrophobicContact CZ-CD2 3.58Å; F400-L419 HydrophobicContact CZ-CG 4.36Å; F400-L419 WeakPolarHBondContact CZ-O 3.39Å; F400-I422 HydrophobicContact CE2-CB 4.33Å; F400-I422 HydrophobicContact CE2-CG2 3.85Å; F400-I422 HydrophobicContact CZ-CB 4.17Å; F400-I422 HydrophobicContact CZ-CG2 4.2Å; F400-K423 HydrophobicContact CD1-CB 4.26Å; F400-K423 HydrophobicContact CD1-CD 3.91Å; F400-K423 HydrophobicContact CD1-CG 4.25Å; F400-K423 HydrophobicContact CE1-CB 3.71Å; F400-K423 HydrophobicContact CE1-CD 4.1Å; F400-K423 HydrophobicContact CE1-CG 4.2Å; F400-K423 HydrophobicContact CZ-CB 3.96Å; F400-M426 HydrophobicContact CE2-SD 4.49Å
401	D	95	Very high	94.6	Very high	94 Å²	94	56 Å²	56	50%	0.503	30%	0.303	S	S	.	.	H	α-helix	trans	-79.2	-36	-175.5	-75.1	-41.4	0	0	0	112	E399 L403 V404 E405 K423	E399-D401 VanDerWaalsContact C-N 3.34Å; E399-D401 PolarHBondContact O-N 3.21Å; D401-L403 VanDerWaalsContact C-N 3.34Å; D401-L403 PolarHBondContact O-N 3.02Å; D401-V404 PolarHBondContact O-N 2.83Å; D401-E405 PolarHBondContact O-N 3.48Å; D401-K423 IonicContact OD1-NZ 3.29Å; D401-K423 PolarHBondContact OD1-NZ 3.4Å; D401-K423 IonicContact OD2-NZ 3.23Å; D401-K423 PolarHBondContact OD2-NZ 2.93Å
402	Q	97.5	Very high	94.7	Very high	84 Å²	84	55.1 Å²	55.1	39%	0.393	30%	0.298	S	S	.	.	H	α-helix	trans	-61.6	-42	169.4	-54.9	98.6	-60	0	0	111.5	L378 E399 V404 E405 E406	L378-Q402 HydrophobicContact CD1-CB 3.46Å; L378-Q402 VanDerWaalsContact CD1-CB 3.46Å; E399-Q402 VanDerWaalsContact CA-OE1 3.29Å; Q402-V404 VanDerWaalsContact C-N 3.3Å; Q402-V404 PolarHBondContact O-N 3.1Å; Q402-E405 WeakPolarHBondContact O-CA 3.46Å; Q402-E405 WeakPolarHBondContact O-CB 3.28Å; Q402-E405 PolarHBondContact O-N 3.01Å; Q402-E406 PolarHBondContact O-N 3.48Å
403	L	98.1	Very high	95	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66.4	-30.7	177	-176.6	58.9	0	0	0	113.2	L378 H381 L393 F397 E399 D401 A407 M415 L419	L378-L403 HydrophobicContact CB-CD1 4.48Å; L378-L403 HydrophobicContact CD2-CB 4.44Å; H381-L403 HydrophobicContact CB-CD1 3.65Å; H381-L403 HydrophobicContact CB-CD2 3.89Å; H381-L403 HydrophobicContact CB-CG 4.46Å; L393-L403 HydrophobicContact CD1-CD2 4.27Å; L393-L403 HydrophobicContact CD2-CD2 3.52Å; F397-L403 HydrophobicContact CE1-CB 4.02Å; F397-L403 HydrophobicContact CE1-CD2 3.78Å; F397-L403 HydrophobicContact CZ-CB 4.09Å; F397-L403 HydrophobicContact CZ-CD2 3.84Å; E399-L403 WeakPolarHBondContact O-CB 3.39Å; E399-L403 PolarHBondContact O-N 3.37Å; D401-L403 VanDerWaalsContact C-N 3.34Å; D401-L403 PolarHBondContact O-N 3.02Å; L403-A407 WeakPolarHBondContact O-CB 3.29Å; L403-A407 PolarHBondContact O-N 2.91Å; L403-M415 HydrophobicContact CD1-CE 3.71Å; L403-M415 HydrophobicContact CD2-CE 4.33Å; L403-M415 HydrophobicContact CG-CE 4.08Å; L403-L419 HydrophobicContact CD2-CD2 3.97Å; L403-L419 HydrophobicContact CG-CD1 4.21Å; L403-L419 HydrophobicContact CG-CD2 4.34Å
404	V	97.4	Very high	95.2	Very high	26 Å²	26	58.2 Å²	58.2	16%	0.158	31%	0.311	C	S	.	.	H	α-helix	trans	-68.3	-37.5	170.9	169	0	0	0	0	110.8	F400 D401 Q402 T408 L419	F400-V404 HydrophobicContact CD1-CG2 4.07Å; F400-V404 HydrophobicContact CE1-CG2 3.91Å; F400-V404 WeakPolarHBondContact O-CG2 3.46Å; F400-V404 PolarHBondContact O-N 2.87Å; F400-V404 VanDerWaalsContact O-N 3.14Å; D401-V404 PolarHBondContact O-N 2.83Å; Q402-V404 VanDerWaalsContact C-N 3.3Å; Q402-V404 PolarHBondContact O-N 3.1Å; V404-T408 WeakPolarHBondContact O-CB 3.36Å; V404-T408 PolarHBondContact O-N 3.12Å; V404-T408 PolarHBondContact O-OG1 2.79Å; V404-L419 HydrophobicContact CG2-CB 3.81Å; V404-L419 HydrophobicContact CG2-CD1 3.85Å; V404-L419 HydrophobicContact CG2-CG 4.32Å
405	E	98	Very high	95.5	Very high	115 Å²	115	55 Å²	55	54%	0.537	29%	0.294	S	S	.	.	H	α-helix	trans	-62.5	-50.2	174.2	-164.4	-176.6	140.8	0	0	111.5	R374 D401 Q402 A407 T408 F409	R374-E405 IonicContact NH2-OE1 3.48Å; R374-E405 PolarHBondContact NH2-OE1 3.35Å; D401-E405 PolarHBondContact O-N 3.48Å; Q402-E405 WeakPolarHBondContact O-CA 3.46Å; Q402-E405 WeakPolarHBondContact O-CB 3.28Å; Q402-E405 PolarHBondContact O-N 3.01Å; E405-A407 PolarHBondContact O-N 3.38Å; E405-T408 CarbonylContact O-C 3.6Å; E405-T408 WeakPolarHBondContact O-CA 3.46Å; E405-T408 WeakPolarHBondContact O-CB 3.21Å; E405-T408 PolarHBondContact O-N 3.14Å; E405-T408 VanDerWaalsContact O-N 3.09Å; E405-F409 PolarHBondContact O-N 3.28Å
406	E	98.4	Very high	96.2	Very high	10 Å²	10	51.3 Å²	51.3	5%	0.047	27%	0.271	C	S	.	.	H	α-helix	trans	-57.6	-48.4	175	-66.5	-47.2	131.6	0	0	112.2	R374 L378 V382 Q402 T408 F409 Y410	R374-E406 IonicContact CZ-OE1 3.62Å; R374-E406 VanDerWaalsContact CZ-OE1 3.29Å; R374-E406 IonicContact CZ-OE2 3.07Å; R374-E406 IonicContact NE-OE1 2.69Å; R374-E406 PolarHBondContact NE-OE1 2.88Å; R374-E406 IonicContact NE-OE2 3.62Å; R374-E406 PolarHBondContact NE-OE2 3.42Å; R374-E406 IonicContact NH2-OE1 3.87Å; R374-E406 PolarHBondContact NH2-OE1 3.05Å; R374-E406 IonicContact NH2-OE2 2.75Å; L378-E406 HydrophobicContact CB-CG 3.88Å; L378-E406 HydrophobicContact CD1-CG 3.97Å; V382-E406 HydrophobicContact CG2-CB 4.36Å; Q402-E406 PolarHBondContact O-N 3.48Å; E406-T408 PolarHBondContact O-N 3.32Å; E406-F409 PolarHBondContact O-N 3.45Å; E406-F409 VanDerWaalsContact O-N 3.17Å; E406-Y410 HydrophobicContact CB-CD2 4.42Å; E406-Y410 HydrophobicContact CB-CE2 4.26Å; E406-Y410 WeakPolarHBondContact O-CD2 3.2Å; E406-Y410 PolarHBondContact O-N 3.11Å
407	A	98.3	Very high	96.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.8	-30	178.1	0	0	0	0	0	112.7	L403 E405 G411 L412 M415 V416 L419	L403-A407 WeakPolarHBondContact O-CB 3.29Å; L403-A407 PolarHBondContact O-N 2.91Å; E405-A407 PolarHBondContact O-N 3.38Å; A407-G411 PolarHBondContact O-N 2.88Å; A407-L412 PolarHBondContact O-N 3.11Å; A407-M415 HydrophobicContact CB-CB 4.23Å; A407-M415 HydrophobicContact CB-CE 4.22Å; A407-M415 HydrophobicContact CB-CG 3.91Å; A407-M415 HydrophobicContact CB-SD 3.9Å; A407-V416 HydrophobicContact CB-CG2 3.7Å; A407-L419 HydrophobicContact CB-CD1 4Å
408	T	98.2	Very high	97.1	Very high	83 Å²	83	50.8 Å²	50.8	51%	0.509	27%	0.267	S	S	.	.	H	α-helix	trans	-75.5	-44.7	174.8	-55	0	0	0	0	111.1	V404 E405 E406 Y410 G411	V404-T408 WeakPolarHBondContact O-CB 3.36Å; V404-T408 PolarHBondContact O-N 3.12Å; V404-T408 PolarHBondContact O-OG1 2.79Å; E405-T408 CarbonylContact O-C 3.6Å; E405-T408 WeakPolarHBondContact O-CA 3.46Å; E405-T408 WeakPolarHBondContact O-CB 3.21Å; E405-T408 PolarHBondContact O-N 3.14Å; E405-T408 VanDerWaalsContact O-N 3.09Å; E406-T408 PolarHBondContact O-N 3.32Å; T408-Y410 VanDerWaalsContact C-N 3.34Å; T408-Y410 PolarHBondContact O-N 3.48Å; T408-G411 PolarHBondContact O-N 3.18Å
409	F	98.3	Very high	97.3	Very high	75 Å²	75	45 Å²	45	33%	0.329	23%	0.232	S	C	.	.	H	α-helix	trans	-57.1	-44.4	175.5	172	-93.1	0	0	0	112.1	I350 R374 E405 E406 G411	I350-F409 VanDerWaalsContact CD1-O 3.26Å; I350-F409 WeakPolarHBondContact CD1-O 3.39Å; R374-F409 HydrophobicContact CG-CD1 3.66Å; R374-F409 HydrophobicContact CG-CE1 3.37Å; R374-F409 HydrophobicContact CG-CE2 4.49Å; R374-F409 HydrophobicContact CG-CG 4.35Å; R374-F409 HydrophobicContact CG-CZ 3.83Å; E405-F409 PolarHBondContact O-N 3.28Å; E406-F409 PolarHBondContact O-N 3.45Å; E406-F409 VanDerWaalsContact O-N 3.17Å; F409-G411 PolarHBondContact O-N 2.9Å
410	Y	98.4	Very high	97.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-5.1	177.3	-66.5	-60.4	0	0	0	114	S349 I350 L351 I372 R374 F379 V382 E406 T408	S349-Y410 WeakPolarHBondContact CB-O 3.27Å; I350-Y410 PolarHBondContact N-O 2.78Å; L351-Y410 HydrophobicContact CB-CD1 3.87Å; L351-Y410 HydrophobicContact CB-CG 4.3Å; L351-Y410 HydrophobicContact CD1-CD1 3.99Å; L351-Y410 HydrophobicContact CD1-CE1 4.18Å; L351-Y410 HydrophobicContact CD2-CD1 3.99Å; L351-Y410 HydrophobicContact CD2-CG 4.18Å; L351-Y410 HydrophobicContact CG-CD1 4.18Å; L351-Y410 PolarHBondContact N-O 2.76Å; L351-Y410 VanDerWaalsContact N-O 3.15Å; I372-Y410 HydrophobicContact CD1-CE1 4.43Å; I372-Y410 HydrophobicContact CG2-CE1 4.12Å; R374-Y410 WeakPolarHBondContact CB-OH 3.48Å; F379-Y410 HydrophobicContact CD2-CE1 4.31Å; F379-Y410 AromaticContact CD2-CE2 3.71Å; F379-Y410 HydrophobicContact CD2-CE2 3.71Å; F379-Y410 AromaticContact CD2-CZ 3.53Å; F379-Y410 VanDerWaalsContact CD2-OH 3.27Å; F379-Y410 WeakPolarHBondContact CD2-OH 3.44Å; F379-Y410 HydrophobicContact CE2-CE1 4.03Å; F379-Y410 HydrophobicContact CE2-CE2 4.12Å; F379-Y410 AromaticContact CE2-CZ 3.71Å; V382-Y410 HydrophobicContact CB-CD2 4.4Å; V382-Y410 HydrophobicContact CG1-CD2 3.86Å; V382-Y410 HydrophobicContact CG1-CE2 4.34Å; V382-Y410 HydrophobicContact CG1-CG 4.31Å; V382-Y410 HydrophobicContact CG2-CD2 3.84Å; V382-Y410 HydrophobicContact CG2-CE2 4.06Å; E406-Y410 HydrophobicContact CB-CD2 4.42Å; E406-Y410 HydrophobicContact CB-CE2 4.26Å; E406-Y410 WeakPolarHBondContact O-CD2 3.2Å; E406-Y410 PolarHBondContact O-N 3.11Å; T408-Y410 VanDerWaalsContact C-N 3.34Å; T408-Y410 PolarHBondContact O-N 3.48Å
411	G	97.8	Very high	97.3	Very high	20 Å²	20	53.1 Å²	53.1	21%	0.206	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	38.6	179.7	0	0	0	0	0	113.7	S349 A407 T408 F409	S349-G411 WeakPolarHBondContact CA-O 3.48Å; S349-G411 WeakPolarHBondContact CB-O 3.47Å; A407-G411 PolarHBondContact O-N 2.88Å; T408-G411 PolarHBondContact O-N 3.18Å; F409-G411 PolarHBondContact O-N 2.9Å
412	L	98.4	Very high	97.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.252	C	S	.	.			trans	-102.9	72.2	-176.3	-65.1	172.1	0	0	0	111.1	Y346 V382 F385 L386 A407 E414 M415 V416	Y346-L412 HydrophobicContact CD2-CD2 4.16Å; Y346-L412 HydrophobicContact CG-CD2 4.13Å; V382-L412 HydrophobicContact CG1-CD1 3.65Å; F385-L412 HydrophobicContact CD1-CD1 4.44Å; L386-L412 HydrophobicContact CD2-CD1 4.34Å; L386-L412 HydrophobicContact CD2-CD2 3.98Å; A407-L412 PolarHBondContact O-N 3.11Å; L412-E414 VanDerWaalsContact C-N 3.27Å; L412-E414 PolarHBondContact O-N 2.86Å; L412-M415 HydrophobicContact CB-CB 3.9Å; L412-M415 HydrophobicContact CD1-SD 4.31Å; L412-M415 WeakPolarHBondContact O-CA 3.48Å; L412-M415 WeakPolarHBondContact O-CB 3.31Å; L412-M415 PolarHBondContact O-N 3.13Å; L412-V416 PolarHBondContact O-N 3.45Å
413	D	97.2	Very high	96.8	Very high	110 Å²	110	49.4 Å²	49.4	59%	0.588	25%	0.246	S	C	*	.	H	α-helix	trans	-54.7	-38.4	-176.1	-71.4	-41.5	0	0	0	113.4	M415 V416 N417	D413-M415 VanDerWaalsContact C-N 3.31Å; D413-M415 PolarHBondContact O-N 3.14Å; D413-V416 PolarHBondContact O-N 2.93Å; D413-N417 VanDerWaalsContact O-CB 3.29Å; D413-N417 WeakPolarHBondContact O-CB 3.42Å; D413-N417 VanDerWaalsContact O-CG 3.22Å; D413-N417 PolarHBondContact O-N 3.34Å; D413-N417 PolarHBondContact O-ND2 2.91Å
414	E	97.1	Very high	96.5	Very high	92 Å²	92	52.5 Å²	52.5	43%	0.43	26%	0.264	S	S	.	.	H	α-helix	trans	-63.5	-36	175.9	-67.5	84.3	171.4	0	0	112.5	Y346 F385 L412 Q418	Y346-E414 HydrophobicContact CE1-CB 4.26Å; Y346-E414 VanDerWaalsContact CE1-CD 3.49Å; Y346-E414 HydrophobicContact CE1-CG 3.97Å; Y346-E414 WeakPolarHBondContact CE1-OE2 3.15Å; F385-E414 HydrophobicContact CZ-CB 3.88Å; L412-E414 VanDerWaalsContact C-N 3.27Å; L412-E414 PolarHBondContact O-N 2.86Å; E414-Q418 WeakPolarHBondContact O-CG 3.41Å; E414-Q418 PolarHBondContact O-N 3.05Å
415	M	98.2	Very high	96.1	Very high	1 Å²	1	56 Å²	56	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-70.1	-47.7	175.9	-173.4	171	170.3	0	0	110.5	H381 V382 F385 V391 L403 A407 L412 D413 N417 Q418 L419	H381-M415 HydrophobicContact CB-CE 4.4Å; V382-M415 HydrophobicContact CG2-CE 4.11Å; V382-M415 HydrophobicContact CG2-SD 4.3Å; F385-M415 HydrophobicContact CB-CE 4.33Å; F385-M415 HydrophobicContact CB-CG 4.28Å; F385-M415 HydrophobicContact CB-SD 3.65Å; F385-M415 HydrophobicContact CD1-CB 3.81Å; F385-M415 HydrophobicContact CD1-CG 4.15Å; F385-M415 HydrophobicContact CD1-SD 3.93Å; F385-M415 HydrophobicContact CD2-CB 3.95Å; F385-M415 HydrophobicContact CD2-CG 3.92Å; F385-M415 HydrophobicContact CD2-SD 4.38Å; F385-M415 HydrophobicContact CE1-CB 3.76Å; F385-M415 HydrophobicContact CE2-CB 3.88Å; F385-M415 HydrophobicContact CE2-CG 4.33Å; F385-M415 HydrophobicContact CG-CB 3.92Å; F385-M415 HydrophobicContact CG-CG 3.83Å; F385-M415 HydrophobicContact CG-SD 3.71Å; F385-M415 HydrophobicContact CZ-CB 3.8Å; V391-M415 HydrophobicContact CG2-CG 3.86Å; L403-M415 HydrophobicContact CD1-CE 3.71Å; L403-M415 HydrophobicContact CD2-CE 4.33Å; L403-M415 HydrophobicContact CG-CE 4.08Å; A407-M415 HydrophobicContact CB-CB 4.23Å; A407-M415 HydrophobicContact CB-CE 4.22Å; A407-M415 HydrophobicContact CB-CG 3.91Å; A407-M415 HydrophobicContact CB-SD 3.9Å; L412-M415 HydrophobicContact CB-CB 3.9Å; L412-M415 HydrophobicContact CD1-SD 4.31Å; L412-M415 WeakPolarHBondContact O-CA 3.48Å; L412-M415 WeakPolarHBondContact O-CB 3.31Å; L412-M415 PolarHBondContact O-N 3.13Å; D413-M415 VanDerWaalsContact C-N 3.31Å; D413-M415 PolarHBondContact O-N 3.14Å; M415-N417 VanDerWaalsContact C-N 3.26Å; M415-N417 PolarHBondContact O-N 2.93Å; M415-Q418 PolarHBondContact O-N 3.17Å; M415-Q418 VanDerWaalsContact O-N 3.14Å; M415-L419 HydrophobicContact CE-CD1 4.3Å; M415-L419 HydrophobicContact CG-CD1 4.06Å; M415-L419 WeakPolarHBondContact O-CG 3.37Å; M415-L419 PolarHBondContact O-N 3.39Å
416	V	97.9	Very high	95.5	Very high	7 Å²	7	53.6 Å²	53.6	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-56.7	-41	175.4	174.2	0	0	0	0	110.9	A407 L412 D413 L419 K420	A407-V416 HydrophobicContact CB-CG2 3.7Å; L412-V416 PolarHBondContact O-N 3.45Å; D413-V416 PolarHBondContact O-N 2.93Å; V416-L419 PolarHBondContact O-N 3.3Å; V416-K420 HydrophobicContact CG1-CD 4.02Å; V416-K420 VanDerWaalsContact CG1-CE 3.47Å; V416-K420 WeakPolarHBondContact O-CB 3.26Å; V416-K420 VanDerWaalsContact O-CG 3.31Å; V416-K420 WeakPolarHBondContact O-CG 3.41Å; V416-K420 PolarHBondContact O-N 2.86Å
417	N	97.2	Very high	94.9	Very high	85 Å²	85	58.7 Å²	58.7	46%	0.455	29%	0.291	S	S	.	.	H	α-helix	trans	-69.5	-36.3	177.3	-76.1	-42.8	0	0	0	113.3	D413 M415 K421	D413-N417 VanDerWaalsContact O-CB 3.29Å; D413-N417 WeakPolarHBondContact O-CB 3.42Å; D413-N417 VanDerWaalsContact O-CG 3.22Å; D413-N417 PolarHBondContact O-N 3.34Å; D413-N417 PolarHBondContact O-ND2 2.91Å; M415-N417 VanDerWaalsContact C-N 3.26Å; M415-N417 PolarHBondContact O-N 2.93Å; N417-K421 WeakPolarHBondContact O-CG 3.37Å; N417-K421 PolarHBondContact O-N 3.29Å
418	Q	97.4	Very high	94.4	Very high	59 Å²	59	66.3 Å²	66.3	28%	0.276	32%	0.319	S	S	.	.	H	α-helix	trans	-66.6	-43.5	171.7	-74.3	-174.5	35.7	0	0	111.5	N389 V391 E414 M415 K421 I422	N389-Q418 PolarHBondContact O-NE2 3Å; V391-Q418 HydrophobicContact CB-CB 4.16Å; V391-Q418 HydrophobicContact CG2-CB 3.64Å; E414-Q418 WeakPolarHBondContact O-CG 3.41Å; E414-Q418 PolarHBondContact O-N 3.05Å; M415-Q418 PolarHBondContact O-N 3.17Å; M415-Q418 VanDerWaalsContact O-N 3.14Å; Q418-K421 WeakPolarHBondContact O-CB 3.38Å; Q418-K421 PolarHBondContact O-N 3.47Å; Q418-I422 WeakPolarHBondContact O-CG1 3.41Å; Q418-I422 PolarHBondContact O-N 2.87Å
419	L	96.6	Very high	93.6	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-58.8	-49.9	175.6	-72.3	164.1	0	0	0	111.4	V391 L393 F400 L403 V404 A407 M415 V416 K421 I422 K423	V391-L419 HydrophobicContact CG1-CD2 3.71Å; V391-L419 HydrophobicContact CG1-CG 4.26Å; V391-L419 HydrophobicContact CG2-CG 4.31Å; L393-L419 HydrophobicContact CD1-CD2 3.87Å; F400-L419 HydrophobicContact CE1-CB 3.85Å; F400-L419 HydrophobicContact CE1-CD2 3.99Å; F400-L419 WeakPolarHBondContact CE1-O 3.37Å; F400-L419 HydrophobicContact CE2-CD2 4.08Å; F400-L419 HydrophobicContact CZ-CB 3.87Å; F400-L419 HydrophobicContact CZ-CD2 3.58Å; F400-L419 HydrophobicContact CZ-CG 4.36Å; F400-L419 WeakPolarHBondContact CZ-O 3.39Å; L403-L419 HydrophobicContact CD2-CD2 3.97Å; L403-L419 HydrophobicContact CG-CD1 4.21Å; L403-L419 HydrophobicContact CG-CD2 4.34Å; V404-L419 HydrophobicContact CG2-CB 3.81Å; V404-L419 HydrophobicContact CG2-CD1 3.85Å; V404-L419 HydrophobicContact CG2-CG 4.32Å; A407-L419 HydrophobicContact CB-CD1 4Å; M415-L419 HydrophobicContact CE-CD1 4.3Å; M415-L419 HydrophobicContact CG-CD1 4.06Å; M415-L419 WeakPolarHBondContact O-CG 3.37Å; M415-L419 PolarHBondContact O-N 3.39Å; V416-L419 PolarHBondContact O-N 3.3Å; L419-K421 VanDerWaalsContact C-N 3.25Å; L419-K421 PolarHBondContact O-N 3.39Å; L419-I422 PolarHBondContact O-N 3.28Å; L419-I422 VanDerWaalsContact O-N 3.13Å; L419-K423 PolarHBondContact O-N 3.03Å
420	K	93.8	Very high	92.8	Very high	117 Å²	117	70 Å²	70	51%	0.509	33%	0.33	S	S	.	.	H	α-helix	trans	-56.4	-36.7	177	-74.4	169.4	-179.4	170.2	0	112.9	V416 T424	V416-K420 HydrophobicContact CG1-CD 4.02Å; V416-K420 VanDerWaalsContact CG1-CE 3.47Å; V416-K420 WeakPolarHBondContact O-CB 3.26Å; V416-K420 VanDerWaalsContact O-CG 3.31Å; V416-K420 WeakPolarHBondContact O-CG 3.41Å; V416-K420 PolarHBondContact O-N 2.86Å; K420-T424 WeakPolarHBondContact O-CB 3.42Å; K420-T424 PolarHBondContact O-N 3.38Å; K420-T424 PolarHBondContact O-OG1 3.18Å
421	K	94.2	Very high	92	Very high	138 Å²	138	74.4 Å²	74.4	60%	0.6	35%	0.352	S	S	*	.	H	α-helix	trans	-66	-51.1	174.1	-72.1	171.9	-177.6	179.6	0	111.6	N417 Q418 L419 K423 T424 E425	N417-K421 WeakPolarHBondContact O-CG 3.37Å; N417-K421 PolarHBondContact O-N 3.29Å; Q418-K421 WeakPolarHBondContact O-CB 3.38Å; Q418-K421 PolarHBondContact O-N 3.47Å; L419-K421 VanDerWaalsContact C-N 3.25Å; L419-K421 PolarHBondContact O-N 3.39Å; K421-K423 PolarHBondContact O-N 2.9Å; K421-T424 WeakPolarHBondContact O-CB 3.33Å; K421-T424 PolarHBondContact O-N 2.88Å; K421-E425 PolarHBondContact O-N 3.24Å
422	I	92.6	Very high	90.9	Very high	39 Å²	39	77.4 Å²	77.4	20%	0.2	36%	0.364	C	S	.	.	H	α-helix	trans	-56.7	-47.2	178.7	-66.4	165.5	0	0	0	111	V391 F400 Q418 L419 T424 E425 M426	V391-I422 HydrophobicContact CB-CD1 3.94Å; V391-I422 HydrophobicContact CG1-CD1 3.57Å; F400-I422 HydrophobicContact CE2-CB 4.33Å; F400-I422 HydrophobicContact CE2-CG2 3.85Å; F400-I422 HydrophobicContact CZ-CB 4.17Å; F400-I422 HydrophobicContact CZ-CG2 4.2Å; Q418-I422 WeakPolarHBondContact O-CG1 3.41Å; Q418-I422 PolarHBondContact O-N 2.87Å; L419-I422 PolarHBondContact O-N 3.28Å; L419-I422 VanDerWaalsContact O-N 3.13Å; I422-T424 VanDerWaalsContact C-N 3.27Å; I422-T424 PolarHBondContact O-N 2.87Å; I422-E425 PolarHBondContact O-N 3.17Å; I422-E425 VanDerWaalsContact O-N 3.14Å; I422-M426 HydrophobicContact CG2-CE 3.77Å; I422-M426 HydrophobicContact CG2-CG 4.46Å; I422-M426 HydrophobicContact CG2-SD 3.91Å; I422-M426 WeakPolarHBondContact O-CG 3.4Å; I422-M426 PolarHBondContact O-N 3.43Å
423	K	89.9	Confident	89.7	Confident	61 Å²	61	82.5 Å²	82.5	27%	0.265	39%	0.391	S	S	.	.	H	α-helix	trans	-59.5	-37	177.2	-160.9	174.9	-165.5	180	0	112.5	F400 D401 L419 K421 K427	F400-K423 HydrophobicContact CD1-CB 4.26Å; F400-K423 HydrophobicContact CD1-CD 3.91Å; F400-K423 HydrophobicContact CD1-CG 4.25Å; F400-K423 HydrophobicContact CE1-CB 3.71Å; F400-K423 HydrophobicContact CE1-CD 4.1Å; F400-K423 HydrophobicContact CE1-CG 4.2Å; F400-K423 HydrophobicContact CZ-CB 3.96Å; D401-K423 IonicContact OD1-NZ 3.29Å; D401-K423 PolarHBondContact OD1-NZ 3.4Å; D401-K423 IonicContact OD2-NZ 3.23Å; D401-K423 PolarHBondContact OD2-NZ 2.93Å; L419-K423 PolarHBondContact O-N 3.03Å; K421-K423 PolarHBondContact O-N 2.9Å; K423-K427 WeakPolarHBondContact O-CG 3.41Å; K423-K427 PolarHBondContact O-N 3.03Å
424	T	90.5	Very high	88.3	Confident	64 Å²	64	86 Å²	86	39%	0.393	40%	0.396	S	S	.	.	H	α-helix	trans	-70.7	-39	177.1	-56.5	0	0	0	0	111.7	K420 K421 I422 R428	K420-T424 WeakPolarHBondContact O-CB 3.42Å; K420-T424 PolarHBondContact O-N 3.38Å; K420-T424 PolarHBondContact O-OG1 3.18Å; K421-T424 WeakPolarHBondContact O-CB 3.33Å; K421-T424 PolarHBondContact O-N 2.88Å; I422-T424 VanDerWaalsContact C-N 3.27Å; I422-T424 PolarHBondContact O-N 2.87Å; T424-R428 VanDerWaalsContact O-CG 3.31Å; T424-R428 WeakPolarHBondContact O-CG 3.32Å; T424-R428 PolarHBondContact O-N 3.19Å
425	E	89	Confident	86.6	Confident	100 Å²	100	87.8 Å²	87.8	47%	0.467	40%	0.402	S	S	.	.	H	α-helix	trans	-68.6	-39.2	176.3	-71.6	176.2	-162.3	0	0	112.7	K421 I422 R428 K429	K421-E425 PolarHBondContact O-N 3.24Å; I422-E425 PolarHBondContact O-N 3.17Å; I422-E425 VanDerWaalsContact O-N 3.14Å; E425-R428 PolarHBondContact O-N 3.34Å; E425-K429 WeakPolarHBondContact O-CG 3.45Å; E425-K429 PolarHBondContact O-N 3.33Å
426	M	85.6	Confident	84.4	Confident	65 Å²	65	95.2 Å²	95.2	32%	0.32	43%	0.431	S	S	.	.	H	α-helix	trans	-59.3	-52.3	172.9	-72.8	170.3	164.9	0	0	110.9	F400 I422 R428 K429 E430	F400-M426 HydrophobicContact CE2-SD 4.49Å; I422-M426 HydrophobicContact CG2-CE 3.77Å; I422-M426 HydrophobicContact CG2-CG 4.46Å; I422-M426 HydrophobicContact CG2-SD 3.91Å; I422-M426 WeakPolarHBondContact O-CG 3.4Å; I422-M426 PolarHBondContact O-N 3.43Å; M426-R428 VanDerWaalsContact C-N 3.29Å; M426-R428 PolarHBondContact O-N 2.87Å; M426-K429 WeakPolarHBondContact O-CB 3.39Å; M426-K429 PolarHBondContact O-N 2.83Å; M426-E430 PolarHBondContact O-N 3.42Å
427	K	85.5	Confident	82.2	Confident	117 Å²	117	98.8 Å²	98.8	51%	0.509	45%	0.453	S	S	.	.	H	α-helix	trans	-56.4	-39.1	175.3	-73.5	-178.4	176.9	-169.8	0	113.2	K423 E430 I431	K423-K427 WeakPolarHBondContact O-CG 3.41Å; K423-K427 PolarHBondContact O-N 3.03Å; K427-E430 PolarHBondContact O-N 2.94Å; K427-I431 WeakPolarHBondContact O-CD1 3.36Å; K427-I431 VanDerWaalsContact O-CG1 3.28Å; K427-I431 WeakPolarHBondContact O-CG1 3.19Å; K427-I431 PolarHBondContact O-N 2.76Å
428	R	87.7	Confident	80	Confident	159 Å²	159	101.5 Å²	101.5	60%	0.6	46%	0.462	S	S	*	.	H	α-helix	trans	-64.7	-41.3	175.5	-75.7	171.5	179.2	174	0.4	112.3	T424 E425 M426 I431 N432	T424-R428 VanDerWaalsContact O-CG 3.31Å; T424-R428 WeakPolarHBondContact O-CG 3.32Å; T424-R428 PolarHBondContact O-N 3.19Å; E425-R428 PolarHBondContact O-N 3.34Å; M426-R428 VanDerWaalsContact C-N 3.29Å; M426-R428 PolarHBondContact O-N 2.87Å; R428-I431 PolarHBondContact O-N 3.33Å; R428-N432 WeakPolarHBondContact O-CB 3.49Å; R428-N432 VanDerWaalsContact O-CG 3.29Å; R428-N432 PolarHBondContact O-N 3.17Å
429	K	83.3	Confident	77.8	Confident	128 Å²	128	103.6 Å²	103.6	56%	0.557	48%	0.476	S	S	*	.	H	α-helix	trans	-64.3	-43.1	176.4	-71.4	167.9	-178.4	171.5	0	111.4	E425 M426 N432 N433	E425-K429 WeakPolarHBondContact O-CG 3.45Å; E425-K429 PolarHBondContact O-N 3.33Å; M426-K429 WeakPolarHBondContact O-CB 3.39Å; M426-K429 PolarHBondContact O-N 2.83Å; K429-N432 PolarHBondContact O-N 3Å; K429-N433 WeakPolarHBondContact O-CB 3.49Å; K429-N433 VanDerWaalsContact O-CG 3.25Å; K429-N433 PolarHBondContact O-N 3.31Å; K429-N433 PolarHBondContact O-OD1 3.29Å
430	E	80.5	Confident	75.4	Confident	107 Å²	107	109.8 Å²	109.8	50%	0.5	51%	0.505	S	S	.	.	H	α-helix	trans	-59.8	-47.3	175	-70.4	171.7	-172	0	0	112.8	M426 K427 N432 N433 R434	M426-E430 PolarHBondContact O-N 3.42Å; K427-E430 PolarHBondContact O-N 2.94Å; E430-N432 VanDerWaalsContact C-N 3.33Å; E430-N432 PolarHBondContact O-N 3.46Å; E430-N433 PolarHBondContact O-N 3.23Å; E430-R434 WeakPolarHBondContact O-CG 3.5Å; E430-R434 PolarHBondContact O-N 3.32Å
431	I	80.9	Confident	73.2	Confident	93 Å²	93	111.3 Å²	111.3	48%	0.477	51%	0.511	S	S	.	.	H	α-helix	trans	-61.2	-43.3	178.1	-69.3	164.4	0	0	0	110.8	K427 R428 R434 K435	K427-I431 WeakPolarHBondContact O-CD1 3.36Å; K427-I431 VanDerWaalsContact O-CG1 3.28Å; K427-I431 WeakPolarHBondContact O-CG1 3.19Å; K427-I431 PolarHBondContact O-N 2.76Å; R428-I431 PolarHBondContact O-N 3.33Å; I431-R434 PolarHBondContact O-N 3.3Å; I431-K435 PolarHBondContact O-N 3Å; I431-K435 VanDerWaalsContact O-N 3.17Å
432	N	75.4	Confident	71.1	Confident	83 Å²	83	113.1 Å²	113.1	44%	0.444	52%	0.519	S	S	.	.	H	α-helix	trans	-65.7	-44.5	178.7	-71.9	-9.4	0	0	0	111.5	R428 K429 E430 R434 K435 Y436	R428-N432 WeakPolarHBondContact O-CB 3.49Å; R428-N432 VanDerWaalsContact O-CG 3.29Å; R428-N432 PolarHBondContact O-N 3.17Å; K429-N432 PolarHBondContact O-N 3Å; E430-N432 VanDerWaalsContact C-N 3.33Å; E430-N432 PolarHBondContact O-N 3.46Å; N432-R434 VanDerWaalsContact C-N 3.3Å; N432-R434 PolarHBondContact O-N 3.15Å; N432-K435 WeakPolarHBondContact O-CB 3.29Å; N432-K435 PolarHBondContact O-N 3.13Å; N432-Y436 WeakPolarHBondContact O-CD2 3.29Å; N432-Y436 PolarHBondContact O-N 2.95Å; N432-Y436 VanDerWaalsContact O-N 3.15Å
433	N	72.2	Confident	68.6	Low	108 Å²	108	117.6 Å²	117.6	58%	0.578	54%	0.543	S	S	*	.	H	α-helix	trans	-59.5	-39.5	176.4	-70.7	-0.7	0	0	0	112	K429 E430 K435 Y436 V437	K429-N433 WeakPolarHBondContact O-CB 3.49Å; K429-N433 VanDerWaalsContact O-CG 3.25Å; K429-N433 PolarHBondContact O-N 3.31Å; K429-N433 PolarHBondContact O-OD1 3.29Å; E430-N433 PolarHBondContact O-N 3.23Å; N433-K435 VanDerWaalsContact C-N 3.32Å; N433-K435 PolarHBondContact O-N 3.27Å; N433-Y436 PolarHBondContact O-N 3.01Å; N433-V437 WeakPolarHBondContact O-CG2 3.46Å; N433-V437 PolarHBondContact O-N 3.24Å
434	R	69.7	Low	66.2	Low	184 Å²	184	122 Å²	122	69%	0.694	57%	0.565	S	S	*	*	H	α-helix	trans	-65.8	-30.4	175	-71.3	-179.1	-172.5	-173	4.4	113.6	E430 I431 N432 H438	E430-R434 WeakPolarHBondContact O-CG 3.5Å; E430-R434 PolarHBondContact O-N 3.32Å; I431-R434 PolarHBondContact O-N 3.3Å; N432-R434 VanDerWaalsContact C-N 3.3Å; N432-R434 PolarHBondContact O-N 3.15Å; R434-H438 PolarHBondContact O-N 2.89Å
435	K	60.9	Low	63.7	Low	129 Å²	129	124.9 Å²	124.9	56%	0.561	58%	0.583	S	S	*	*	H	α-helix	trans	-69.1	-47.1	174.4	-72.1	179.8	177.9	-175	0	111.4	I431 N432 N433 V437 H438 D439	I431-K435 PolarHBondContact O-N 3Å; I431-K435 VanDerWaalsContact O-N 3.17Å; N432-K435 WeakPolarHBondContact O-CB 3.29Å; N432-K435 PolarHBondContact O-N 3.13Å; N433-K435 VanDerWaalsContact C-N 3.32Å; N433-K435 PolarHBondContact O-N 3.27Å; K435-V437 VanDerWaalsContact C-N 3.31Å; K435-V437 PolarHBondContact O-N 3.4Å; K435-H438 PolarHBondContact O-N 3.33Å; K435-D439 PolarHBondContact O-N 3.44Å
436	Y	51.8	Low	61	Low	157 Å²	157	129 Å²	129	62%	0.616	60%	0.602	S	S	*	*	H	α-helix	trans	-57	-42.5	177.8	-74.2	-68	0	0	0	112.7	N432 N433 H438 D439 E440	N432-Y436 WeakPolarHBondContact O-CD2 3.29Å; N432-Y436 PolarHBondContact O-N 2.95Å; N432-Y436 VanDerWaalsContact O-N 3.15Å; N433-Y436 PolarHBondContact O-N 3.01Å; Y436-H438 PolarHBondContact O-N 3Å; Y436-D439 PolarHBondContact O-N 3.31Å; Y436-E440 WeakPolarHBondContact O-CG 3.34Å; Y436-E440 PolarHBondContact O-N 2.9Å
437	V	52	Low	58.4	Low	81 Å²	81	134.3 Å²	134.3	49%	0.491	63%	0.628	S	S	.	*	H	α-helix	trans	-65.3	-22.7	177.4	175.7	0	0	0	0	113.4	N433 K435	N433-V437 WeakPolarHBondContact O-CG2 3.46Å; N433-V437 PolarHBondContact O-N 3.24Å; K435-V437 VanDerWaalsContact C-N 3.31Å; K435-V437 PolarHBondContact O-N 3.4Å
438	H	51.1	Low	56	Low	142 Å²	142	133.8 Å²	133.8	66%	0.657	64%	0.637	S	S	*	*	H	α-helix	trans	-86.5	-26.6	175.8	-95.2	-61.9	0	0	0	114.1	R434 K435 Y436	R434-H438 PolarHBondContact O-N 2.89Å; K435-H438 PolarHBondContact O-N 3.33Å; Y436-H438 PolarHBondContact O-N 3Å
439	D	50.6	Low	53.1	Low	104 Å²	104	137.3 Å²	137.3	56%	0.556	65%	0.651	S	S	*	*	H	α-helix	trans	-83.8	-33.3	175.8	-71.5	-33.4	0	0	0	112.2	K435 Y436 K441 K442	K435-D439 PolarHBondContact O-N 3.44Å; Y436-D439 PolarHBondContact O-N 3.31Å; D439-K441 PolarHBondContact O-N 3.36Å; D439-K442 PolarHBondContact O-N 3.34Å
440	E	46	Very low	50.7	Low	129 Å²	129	136.7 Å²	136.7	60%	0.603	66%	0.661	S	S	*	*	H	α-helix	trans	-61.8	-43.4	176.4	-75.3	179.3	160.2	0	0	111.9	Y436 K442 N443	Y436-E440 WeakPolarHBondContact O-CG 3.34Å; Y436-E440 PolarHBondContact O-N 2.9Å; E440-K442 PolarHBondContact O-N 2.68Å; E440-N443 PolarHBondContact O-N 2.72Å; E440-N443 VanDerWaalsContact O-N 3.13Å
441	K	48.6	Very low	48.2	Very low	150 Å²	150	137.5 Å²	137.5	65%	0.652	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-2.8	179.4	-72.8	-170.6	175.3	-170.6	0	116	D439	D439-K441 PolarHBondContact O-N 3.36Å
442	K	49.7	Very low	45.8	Very low	176 Å²	176	143 Å²	143	77%	0.765	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	-7.3	175.3	-77.5	-174.8	174	-179.9	0	114.1	D439 E440	D439-K442 PolarHBondContact O-N 3.34Å; E440-K442 PolarHBondContact O-N 2.68Å
443	N	40.3	Very low	43.6	Very low	132 Å²	132	149.1 Å²	149.1	71%	0.706	72%	0.718	S	S	*	*			trans	-122.6	18.7	-174.4	-65.6	-34.5	0	0	0	113.3	E440 T445	E440-N443 PolarHBondContact O-N 2.72Å; E440-N443 VanDerWaalsContact O-N 3.13Å; N443-T445 PolarHBondContact O-N 3.35Å
444	E	39.4	Very low	41.5	Very low	155 Å²	155	152.5 Å²	152.5	72%	0.724	73%	0.731	S	S	*	*			trans	-78.1	31.2	-177.2	-64.6	-175.1	146.5	0	0	114.1
445	T	36.8	Very low	39.6	Very low	124 Å²	124	149.1 Å²	149.1	76%	0.761	74%	0.735	S	S	*	*	S	Bend	trans	-127.9	114.1	171.2	-34.2	0	0	0	0	108.8	N443	N443-T445 PolarHBondContact O-N 3.35Å
446	E	33.2	Very low	38	Very low	185 Å²	185	152.9 Å²	152.9	86%	0.864	75%	0.752	S	S	*	*	S	Bend	trans	63.3	94.4	177.3	-56.4	-177.3	172.3	0	0	117.6
447	M	31.4	Very low	37	Very low	178 Å²	178	152.8 Å²	152.8	88%	0.877	76%	0.76	S	S	*	*				174.9	161.8	125.1	-96.8	-160.9	72.3	0	0	113.8
448	P	34.1	Very low	35.8	Very low	106 Å²	106	156.4 Å²	156.4	69%	0.688	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-79.6	155	-174.2	-10.8	28.8	0	0	0	115.1
449	Y	28.2	Very low	34.9	Very low	232 Å²	232	153.4 Å²	153.4	91%	0.91	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-47	134.1	-174.4	-64.9	-84.9	0	0	0	117
450	P	31	Very low	34	Very low	116 Å²	116	155 Å²	155	75%	0.753	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-88.5	153.7	171.8	35.1	-34.3	0	0	0	113.5
451	P	28.7	Very low	33.4	Very low	124 Å²	124	158.1 Å²	158.1	81%	0.805	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-81.6	143.2	-178.6	32.3	-34.8	0	0	0	113.6	K453	P451-K453 PolarHBondContact O-N 2.97Å
452	K	30.3	Very low	32.7	Very low	208 Å²	208	157.1 Å²	157.1	90%	0.904	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-72.3	120.7	-179.2	-65.6	-178	178.1	-178.8	0	112.1
453	K	29.7	Very low	31.9	Very low	211 Å²	211	153.9 Å²	153.9	92%	0.917	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-73.8	135.8	171.3	-71.7	177	177.2	173.2	0	111.3	P451	P451-K453 PolarHBondContact O-N 2.97Å
454	Q	27.4	Very low	31.5	Very low	180 Å²	180	156.3 Å²	156.3	84%	0.841	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-98.9	132.3	167.8	-74.3	170.9	-20.9	0	0	110.2
455	S	30.2	Very low	31.1	Very low	112 Å²	112	156.1 Å²	156.1	78%	0.783	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-80.9	131.5	178	50.4	0	0	0	0	111.8
456	K	28.5	Very low	30.8	Very low	209 Å²	209	156.4 Å²	156.4	91%	0.909	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-73.3	144	171.8	-65.2	177.2	177.3	178.8	0	110.7
457	I	29.8	Very low	30.7	Very low	154 Å²	154	155.1 Å²	155.1	79%	0.79	80%	0.797	S	S	*	*			trans	-131.3	141.3	163.9	-63.9	-179.9	0	0	0	107.4
458	D	27.9	Very low	30.8	Very low	157 Å²	157	154 Å²	154	84%	0.84	79%	0.793	S	S	*	*			trans	-61.4	150.1	-167.5	-70.3	-57.7	0	0	0	114.9
459	T	31	Very low	30.6	Very low	79 Å²	79	153.4 Å²	153.4	49%	0.485	79%	0.791	S	S	.	*			trans	-131.2	90	-179.8	-18.5	0	0	0	0	112.1	K462	T459-K462 HydrophobicContact CG2-CD 3.86Å; T459-K462 HydrophobicContact CG2-CG 4.07Å; T459-K462 PolarHBondContact OG1-NZ 3.37Å
460	T	31.8	Very low	30.6	Very low	139 Å²	139	147.4 Å²	147.4	85%	0.853	78%	0.78	S	S	*	*			trans	-109.6	65.2	172.1	32.2	0	0	0	0	111
461	Q	34.6	Very low	30.4	Very low	193 Å²	193	149.7 Å²	149.7	90%	0.902	79%	0.786	S	S	*	*			trans	-173.9	68.1	168.7	-107.4	169	16.3	0	0	108.3
462	K	32.2	Very low	30.6	Very low	130 Å²	130	148 Å²	148	57%	0.565	78%	0.777	S	S	*	*			trans	-130.6	23.1	-157.5	-135.7	178.3	-165.4	156.3	0	116	T459	T459-K462 HydrophobicContact CG2-CD 3.86Å; T459-K462 HydrophobicContact CG2-CG 4.07Å; T459-K462 PolarHBondContact OG1-NZ 3.37Å
463	S	32.7	Very low	30.5	Very low	108 Å²	108	144.7 Å²	144.7	76%	0.755	77%	0.774	S	S	*	*	S	Bend	trans	-129.3	13.5	-162.4	54.8	0	0	0	0	117.5
464	E	32.1	Very low	30.3	Very low	183 Å²	183	139.3 Å²	139.3	86%	0.855	76%	0.759	S	S	*	*	S	Bend	trans	-127.8	11	-177.1	-67.7	-176.9	163.2	0	0	115
465	I	32.2	Very low	30.2	Very low	150 Å²	150	136.9 Å²	136.9	77%	0.769	75%	0.752	S	S	*	*			trans	-132.3	42.5	-172.6	-35.8	179.8	0	0	0	112.7
466	N	29.3	Very low	30.2	Very low	131 Å²	131	135.9 Å²	135.9	70%	0.701	74%	0.744	S	S	*	*	S	Bend	trans	-104.3	-15.1	175.1	-79.5	-14.7	0	0	0	114.3
467	D	32	Very low	30.1	Very low	158 Å²	158	131.7 Å²	131.7	85%	0.845	74%	0.737	S	S	*	*	S	Bend	trans	-98.6	1.3	-165.1	-61.7	-30.2	0	0	0	115.5
468	I	33.2	Very low	30.2	Very low	154 Å²	154	130.3 Å²	130.3	79%	0.79	73%	0.729	S	S	*	*	S	Bend	trans	-110.9	-20.3	-171.6	-59.4	-179.5	0	0	0	113.5
469	C	29.8	Very low	30.4	Very low	94 Å²	94	129.7 Å²	129.7	64%	0.635	72%	0.719	S	S	*	*			trans	-152.4	89.6	177.6	-148.8	0	0	0	0	112.6	N471	C469-N471 PolarHBondContact O-N 3.19Å
470	P	27.4	Very low	30.6	Very low	105 Å²	105	130.2 Å²	130.2	68%	0.682	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	134.1	170.6	29	-32.5	0	0	0	109.3
471	N	28.6	Very low	30.9	Very low	164 Å²	164	126.5 Å²	126.5	88%	0.877	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	80.8	48	175.3	-46.8	-35.6	0	0	0	118.5	C469	C469-N471 PolarHBondContact O-N 3.19Å
472	S	31.3	Very low	31.2	Very low	90 Å²	90	120.5 Å²	120.5	63%	0.629	67%	0.672	S	S	*	*			trans	-144.2	100	145.8	70.5	0	0	0	0	114.1
473	V	28.6	Very low	31.7	Very low	137 Å²	137	116.3 Å²	116.3	83%	0.83	66%	0.655	S	S	*	*			trans	5.6	109.4	157.6	-176.7	0	0	0	0	116.8
474	V	26.3	Very low	32.2	Very low	98 Å²	98	115.6 Å²	115.6	59%	0.594	64%	0.64	S	S	*	*			trans	-60.7	143.4	159.9	178.2	0	0	0	0	110.2
475	N	25.6	Very low	32.7	Very low	130 Å²	130	113.5 Å²	113.5	70%	0.695	63%	0.628	S	S	*	*			trans	98.7	149.9	175.5	-54.1	-53.8	0	0	0	116.5
476	S	29.8	Very low	33	Very low	90 Å²	90	110.3 Å²	110.3	63%	0.629	62%	0.619	S	S	*	*	S	Bend	trans	77.1	139	171.4	78	0	0	0	0	117.2	I478	S476-I478 PolarHBondContact O-N 2.88Å
477	T	26.1	Very low	33.7	Very low	122 Å²	122	106.8 Å²	106.8	75%	0.748	60%	0.599	S	S	*	*			trans	-33	117.9	166.2	-42.9	0	0	0	0	111.8	K479	T477-K479 PolarHBondContact O-N 2.89Å
478	I	31.4	Very low	33.9	Very low	124 Å²	124	101.7 Å²	101.7	64%	0.636	58%	0.579	S	S	*	*			trans	-64.9	93.6	167.4	-58.3	177.9	0	0	0	106.9	S476 I480 N482	S476-I478 PolarHBondContact O-N 2.88Å; I478-I480 PolarHBondContact O-N 3.01Å; I478-N482 HydrophobicContact CG2-CB 4.42Å
479	K	31.8	Very low	34.1	Very low	144 Å²	144	100.2 Å²	100.2	63%	0.626	57%	0.573	S	S	*	*			trans	-57	136.6	160.5	-70.8	-175.3	174	-175.3	0	106.7	T477 S481 N482	T477-K479 PolarHBondContact O-N 2.89Å; K479-S481 WeakPolarHBondContact CB-OG 3.36Å; K479-S481 PolarHBondContact O-N 2.86Å; K479-N482 WeakPolarHBondContact O-CB 3.15Å; K479-N482 PolarHBondContact O-N 3.23Å
480	I	35.9	Very low	34.5	Very low	91 Å²	91	99 Å²	99	47%	0.467	57%	0.565	S	S	.	*	H	α-helix	trans	-54.2	-33.3	-178.3	-62	158.8	0	0	0	110.8	I478 N482 L483	I478-I480 PolarHBondContact O-N 3.01Å; I480-N482 PolarHBondContact O-N 2.94Å; I480-L483 VanDerWaalsContact O-CB 3.25Å; I480-L483 WeakPolarHBondContact O-CB 3.28Å; I480-L483 PolarHBondContact O-N 3.07Å
481	S	38.7	Very low	34.8	Very low	60 Å²	60	96.7 Å²	96.7	42%	0.42	55%	0.551	S	S	.	*	H	α-helix	trans	-55.1	-17	171.1	64	0	0	0	0	116.4	K479	K479-S481 WeakPolarHBondContact CB-OG 3.36Å; K479-S481 PolarHBondContact O-N 2.86Å
482	N	40.3	Very low	35.1	Very low	68 Å²	68	94.7 Å²	94.7	36%	0.364	55%	0.547	S	S	.	.	H	α-helix	trans	-91.4	-22.5	175.6	-67.7	-2.4	0	0	0	111.7	I478 K479 I480 E484 K485 C486	I478-N482 HydrophobicContact CG2-CB 4.42Å; K479-N482 WeakPolarHBondContact O-CB 3.15Å; K479-N482 PolarHBondContact O-N 3.23Å; I480-N482 PolarHBondContact O-N 2.94Å; N482-E484 VanDerWaalsContact C-N 3.31Å; N482-E484 PolarHBondContact O-N 3Å; N482-K485 PolarHBondContact O-N 3.36Å; N482-K485 VanDerWaalsContact O-N 3.16Å; N482-C486 PolarHBondContact O-N 3.38Å; N482-C486 VanDerWaalsContact O-N 3.07Å; N482-C486 PolarHBondContact O-SG 3.4Å
483	L	43.2	Very low	35.4	Very low	41 Å²	41	94.7 Å²	94.7	22%	0.215	55%	0.548	C	S	.	.	H	α-helix	trans	-64	-40.2	176.5	-155.6	79.3	0	0	0	110.4	I480 K485 C486 I487 L517	I480-L483 VanDerWaalsContact O-CB 3.25Å; I480-L483 WeakPolarHBondContact O-CB 3.28Å; I480-L483 PolarHBondContact O-N 3.07Å; L483-K485 VanDerWaalsContact C-N 3.26Å; L483-K485 PolarHBondContact O-N 3.23Å; L483-C486 WeakPolarHBondContact O-CB 3.38Å; L483-C486 PolarHBondContact O-N 3.31Å; L483-C486 VanDerWaalsContact O-N 3.1Å; L483-I487 HydrophobicContact CD2-CD1 4.4Å; L483-I487 HydrophobicContact CG-CD1 4.26Å; L483-I487 VanDerWaalsContact O-CG1 3.28Å; L483-I487 WeakPolarHBondContact O-CG1 3.32Å; L483-I487 PolarHBondContact O-N 3.26Å; L483-L517 HydrophobicContact CD2-CD2 3.98Å
484	E	42.1	Very low	36.1	Very low	94 Å²	94	95.5 Å²	95.5	44%	0.439	54%	0.542	S	S	.	.	H	α-helix	trans	-56	-38.9	172.7	-62.1	-173	118.8	0	0	112.6	N482 I487 A488 S566	N482-E484 VanDerWaalsContact C-N 3.31Å; N482-E484 PolarHBondContact O-N 3Å; E484-I487 PolarHBondContact O-N 3.37Å; E484-A488 VanDerWaalsContact O-CB 3.32Å; E484-A488 WeakPolarHBondContact O-CB 3.33Å; E484-A488 PolarHBondContact O-N 2.86Å; E484-S566 PolarHBondContact OE1-OG 2.87Å
485	K	42.3	Very low	36.7	Very low	138 Å²	138	97.5 Å²	97.5	60%	0.6	55%	0.545	S	S	*	.	H	α-helix	trans	-71.2	-37.2	176.2	-70	-179	176	178	0	112.2	N482 L483 N489	N482-K485 PolarHBondContact O-N 3.36Å; N482-K485 VanDerWaalsContact O-N 3.16Å; L483-K485 VanDerWaalsContact C-N 3.26Å; L483-K485 PolarHBondContact O-N 3.23Å; K485-N489 WeakPolarHBondContact O-CB 3.47Å; K485-N489 PolarHBondContact O-N 2.58Å; K485-N489 PolarHBondContact O-ND2 3.19Å
486	C	40.2	Very low	37.4	Very low	84 Å²	84	98.4 Å²	98.4	57%	0.568	54%	0.543	S	S	*	.	H	α-helix	trans	-65.1	-40.6	173	-65.9	0	0	0	0	111.6	N482 L483 S490	N482-C486 PolarHBondContact O-N 3.38Å; N482-C486 VanDerWaalsContact O-N 3.07Å; N482-C486 PolarHBondContact O-SG 3.4Å; L483-C486 WeakPolarHBondContact O-CB 3.38Å; L483-C486 PolarHBondContact O-N 3.31Å; L483-C486 VanDerWaalsContact O-N 3.1Å; C486-S490 PolarHBondContact O-N 3.48Å
487	I	43	Very low	38.1	Very low	56 Å²	56	96.6 Å²	96.6	29%	0.287	53%	0.526	S	S	.	.	H	α-helix	trans	-63.7	-50.6	174.9	-66.9	162.4	0	0	0	110	L483 E484 N489 S490	L483-I487 HydrophobicContact CD2-CD1 4.4Å; L483-I487 HydrophobicContact CG-CD1 4.26Å; L483-I487 VanDerWaalsContact O-CG1 3.28Å; L483-I487 WeakPolarHBondContact O-CG1 3.32Å; L483-I487 PolarHBondContact O-N 3.26Å; E484-I487 PolarHBondContact O-N 3.37Å; I487-N489 PolarHBondContact O-N 3.21Å; I487-S490 PolarHBondContact O-N 3Å; I487-S490 PolarHBondContact O-OG 3.31Å
488	A	36.4	Very low	38.9	Very low	52 Å²	52	100 Å²	100	43%	0.43	53%	0.533	S	S	.	.	H	α-helix	trans	-60.9	-43.1	178.4	0	0	0	0	0	113.1	E484 S490 S491	E484-A488 VanDerWaalsContact O-CB 3.32Å; E484-A488 WeakPolarHBondContact O-CB 3.33Å; E484-A488 PolarHBondContact O-N 2.86Å; A488-S490 PolarHBondContact O-N 2.83Å; A488-S491 VanDerWaalsContact O-CB 3.3Å; A488-S491 WeakPolarHBondContact O-CB 3.47Å; A488-S491 PolarHBondContact O-N 3.18Å; A488-S491 VanDerWaalsContact O-N 3.08Å; A488-S491 PolarHBondContact O-OG 3.49Å
489	N	38.1	Very low	39.4	Very low	122 Å²	122	102.3 Å²	102.3	65%	0.652	54%	0.539	S	S	*	.	H	α-helix	trans	-70.2	-12.4	-179.8	-70.7	-13.9	0	0	0	113.9	K485 I487 S491	K485-N489 WeakPolarHBondContact O-CB 3.47Å; K485-N489 PolarHBondContact O-N 2.58Å; K485-N489 PolarHBondContact O-ND2 3.19Å; I487-N489 PolarHBondContact O-N 3.21Å; N489-S491 PolarHBondContact O-N 3.37Å
490	S	36.7	Very low	39.9	Very low	69 Å²	69	97.4 Å²	97.4	48%	0.483	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-5.9	170.9	75.5	0	0	0	0	113.5	C486 I487 A488	C486-S490 PolarHBondContact O-N 3.48Å; I487-S490 PolarHBondContact O-N 3Å; I487-S490 PolarHBondContact O-OG 3.31Å; A488-S490 PolarHBondContact O-N 2.83Å
491	S	34.3	Very low	40.1	Very low	56 Å²	56	97.8 Å²	97.8	39%	0.392	53%	0.532	S	S	.	.	S	Bend	trans	-77.9	129.3	174.4	-66.7	0	0	0	0	112.1	A488 N489 S493	A488-S491 VanDerWaalsContact O-CB 3.3Å; A488-S491 WeakPolarHBondContact O-CB 3.47Å; A488-S491 PolarHBondContact O-N 3.18Å; A488-S491 VanDerWaalsContact O-N 3.08Å; A488-S491 PolarHBondContact O-OG 3.49Å; N489-S491 PolarHBondContact O-N 3.37Å; S491-S493 PolarHBondContact O-N 3.19Å
492	P	35.6	Very low	40.1	Very low	122 Å²	122	105.9 Å²	105.9	79%	0.792	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-62.8	-11	-177.1	-25.5	34.6	0	0	0	116.4	H494	P492-H494 PolarHBondContact O-N 2.91Å
493	S	38.1	Very low	39.9	Very low	91 Å²	91	108 Å²	108	64%	0.636	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-69	-12	-171.9	50.7	0	0	0	0	115.5	S491	S491-S493 PolarHBondContact O-N 3.19Å
494	H	42.1	Very low	39.5	Very low	153 Å²	153	110.5 Å²	110.5	71%	0.708	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-115.2	-0.8	-172.5	-69.4	-63.5	0	0	0	115.7	P492 K496	P492-H494 PolarHBondContact O-N 2.91Å; H494-K496 PolarHBondContact O-N 2.82Å
495	Q	39.4	Very low	39	Very low	140 Å²	140	112.1 Å²	112.1	65%	0.654	60%	0.604	S	S	*	*			trans	-82.7	106.2	174.3	-67.9	-171.1	-0.5	0	0	111.2
496	K	40.8	Very low	38.3	Very low	149 Å²	149	112 Å²	112	65%	0.648	61%	0.61	S	S	*	*	B	Isolated β-bridge	trans	-87.3	149.4	158	-66.1	179.5	176.4	-172.8	0	108.6	H494 N501	H494-K496 PolarHBondContact O-N 2.82Å; K496-N501 WeakPolarHBondContact CA-O 3.34Å
497	D	44.4	Very low	37.7	Very low	53 Å²	53	117.8 Å²	117.8	28%	0.283	63%	0.625	S	S	.	*			trans	-69.8	177.2	169	71.2	12.2	0	0	0	112	F499 G500 N501 L503	D497-F499 PolarHBondContact O-N 2.94Å; D497-F499 VanDerWaalsContact OD1-CA 3.31Å; D497-F499 WeakPolarHBondContact OD1-CA 3.23Å; D497-F499 PolarHBondContact OD1-N 3.06Å; D497-G500 PolarHBondContact O-N 3.13Å; D497-G500 PolarHBondContact OD1-N 2.83Å; D497-N501 PolarHBondContact N-O 2.77Å; D497-N501 PolarHBondContact OD1-N 3.03Å; D497-L503 HydrophobicContact CB-CD2 4.46Å; D497-L503 HydrophobicContact CB-CG 4.36Å
498	Q	41.7	Very low	37	Very low	193 Å²	193	121.4 Å²	121.4	90%	0.902	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-11.9	179.6	-51.9	-179.2	48.5	0	0	113.2
499	F	42.5	Very low	36.7	Very low	173 Å²	173	124.9 Å²	124.9	76%	0.759	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	8.1	-179.5	-60.5	-79.6	0	0	0	112.5	D497 N501	D497-F499 PolarHBondContact O-N 2.94Å; D497-F499 VanDerWaalsContact OD1-CA 3.31Å; D497-F499 WeakPolarHBondContact OD1-CA 3.23Å; D497-F499 PolarHBondContact OD1-N 3.06Å; F499-N501 VanDerWaalsContact C-N 3.33Å; F499-N501 PolarHBondContact O-N 3.21Å
500	G	42.6	Very low	36.1	Very low	40 Å²	40	128.5 Å²	128.5	41%	0.412	68%	0.679	S	S	.	*	S	Bend	trans	82	2.4	175.8	0	0	0	0	0	115.5	D497	D497-G500 PolarHBondContact O-N 3.13Å; D497-G500 PolarHBondContact OD1-N 2.83Å
501	N	39.5	Very low	36	Very low	100 Å²	100	128.9 Å²	128.9	54%	0.535	68%	0.682	S	S	.	*	P	Polyproline II helix	trans	-80.8	149.8	-179.6	-62	-52.8	0	0	0	111.5	K496 D497 F499 L503	K496-N501 WeakPolarHBondContact CA-O 3.34Å; D497-N501 PolarHBondContact N-O 2.77Å; D497-N501 PolarHBondContact OD1-N 3.03Å; F499-N501 VanDerWaalsContact C-N 3.33Å; F499-N501 PolarHBondContact O-N 3.21Å; N501-L503 PolarHBondContact O-N 3.19Å
502	R	38.7	Very low	36.5	Very low	230 Å²	230	131.7 Å²	131.7	87%	0.868	69%	0.688	S	S	*	*	B	Isolated β-bridge	trans	-75.6	121.6	169	-67.6	-172.5	-175.2	-157.1	2.2	108.7	S504	R502-S504 PolarHBondContact O-N 3.07Å
503	L	37.4	Very low	36.6	Very low	112 Å²	112	128 Å²	128	59%	0.586	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-60.7	132.1	174	-76	154.7	0	0	0	110.4	D497 N501	D497-L503 HydrophobicContact CB-CD2 4.46Å; D497-L503 HydrophobicContact CB-CG 4.36Å; N501-L503 PolarHBondContact O-N 3.19Å
504	S	34.5	Very low	37.5	Very low	93 Å²	93	124 Å²	124	65%	0.65	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-67.2	135.3	-177.4	58.4	0	0	0	0	111.6	R502 N506	R502-S504 PolarHBondContact O-N 3.07Å; S504-N506 PolarHBondContact O-N 3.43Å
505	P	30.6	Very low	38.4	Very low	129 Å²	129	119.3 Å²	119.3	84%	0.838	61%	0.614	S	S	*	*			trans	-75.8	93.2	-177.2	31.2	-34.8	0	0	0	111
506	N	28.2	Very low	39.8	Very low	134 Å²	134	112.7 Å²	112.7	72%	0.717	58%	0.583	S	S	*	*			trans	-138.6	118.9	174.5	-98.8	-41.9	0	0	0	112.5	S504 V508	S504-N506 PolarHBondContact O-N 3.43Å; N506-V508 PolarHBondContact O-N 3.03Å
507	K	28.1	Very low	41.4	Very low	207 Å²	207	106.8 Å²	106.8	90%	0.9	56%	0.558	S	S	*	*	S	Bend	trans	62.3	36	160.9	-63.5	-173.7	174.9	-178.5	0	119
508	V	28.4	Very low	43	Very low	132 Å²	132	104.2 Å²	104.2	80%	0.8	55%	0.545	S	S	*	.			trans	-108.4	114.4	147.3	-176.8	0	0	0	0	107.5	N506	N506-V508 PolarHBondContact O-N 3.03Å
509	T	28.6	Very low	44.8	Very low	125 Å²	125	96 Å²	96	77%	0.767	51%	0.506	S	S	*	.			trans	-58.6	139	174.5	36.4	0	0	0	0	110.2	S511	T509-S511 VanDerWaalsContact C-N 3.26Å; T509-S511 PolarHBondContact O-N 2.97Å
510	Q	26.9	Very low	46.6	Very low	197 Å²	197	87.8 Å²	87.8	92%	0.921	47%	0.47	S	S	*	.			trans	-68.1	73.1	-176.2	-65	166.2	-45.1	0	0	112.4	Q512	Q510-Q512 PolarHBondContact O-N 2.96Å; Q510-Q512 VanDerWaalsContact O-N 3.13Å
511	S	33.3	Very low	48.2	Very low	78 Å²	78	86.8 Å²	86.8	55%	0.545	46%	0.455	S	S	.	.			trans	-78	92.9	164.3	48.8	0	0	0	0	108.7	T509 C513	T509-S511 VanDerWaalsContact C-N 3.26Å; T509-S511 PolarHBondContact O-N 2.97Å; S511-C513 PolarHBondContact O-N 2.89Å; S511-C513 PolarHBondContact O-SG 2.88Å
512	Q	44.5	Very low	49.6	Very low	114 Å²	114	86.2 Å²	86.2	53%	0.533	45%	0.448	S	S	.	.			trans	-62.1	90.4	163.8	-73	-175.8	-14	0	0	108	Q510 F514	Q510-Q512 PolarHBondContact O-N 2.96Å; Q510-Q512 VanDerWaalsContact O-N 3.13Å; Q512-F514 PolarHBondContact O-N 3.32Å
513	C	39.4	Very low	51	Low	44 Å²	44	80.7 Å²	80.7	30%	0.297	44%	0.435	S	S	.	.			trans	-65.5	107.7	179.1	-65.2	0	0	0	0	109	S511 F515 R613	S511-C513 PolarHBondContact O-N 2.89Å; S511-C513 PolarHBondContact O-SG 2.88Å; C513-F515 HydrophobicContact CB-CE2 4.11Å; C513-F515 HydrophobicContact CB-CZ 4.16Å; C513-R613 VanDerWaalsContact SG-CZ 3.55Å; C513-R613 PolarHBondContact SG-NE 3.27Å; C513-R613 PolarHBondContact SG-NH2 3.25Å
514	F	56.5	Low	52.4	Low	7 Å²	7	78.2 Å²	78.2	3%	0.031	43%	0.426	C	S	.	.			trans	-75.9	155.8	167.7	67.8	-114	0	0	0	110.7	Q512 F540 S614	Q512-F514 PolarHBondContact O-N 3.32Å; F514-F540 HydrophobicContact CB-CD2 3.87Å; F514-F540 HydrophobicContact CB-CE2 3.88Å; F514-F540 AromaticContact CD1-CD2 3.88Å; F514-F540 HydrophobicContact CD1-CD2 3.88Å; F514-F540 AromaticContact CD2-CD2 3.83Å; F514-F540 HydrophobicContact CD2-CD2 3.83Å; F514-F540 AromaticContact CD2-CE2 3.74Å; F514-F540 HydrophobicContact CD2-CE2 3.74Å; F514-F540 HydrophobicContact CE1-CD2 4.11Å; F514-F540 HydrophobicContact CE2-CD2 4.1Å; F514-F540 HydrophobicContact CE2-CE2 4.21Å; F514-F540 AromaticContact CG-CD2 3.67Å; F514-F540 HydrophobicContact CG-CD2 3.67Å; F514-F540 AromaticContact CG-CE2 3.89Å; F514-F540 HydrophobicContact CG-CE2 3.89Å; F514-F540 HydrophobicContact CZ-CD2 4.17Å; F514-S614 WeakPolarHBondContact CE1-OG 3.35Å
515	F	60.1	Low	54	Low	56 Å²	56	77.3 Å²	77.3	25%	0.246	42%	0.418	C	S	.	.			trans	-129.3	121.7	169.7	-64.8	-75.7	0	0	0	109.1	C513 S533 L611 F612	C513-F515 HydrophobicContact CB-CE2 4.11Å; C513-F515 HydrophobicContact CB-CZ 4.16Å; F515-S533 PolarHBondContact N-OG 2.82Å; F515-S533 PolarHBondContact O-N 2.75Å; F515-S533 PolarHBondContact O-OG 3.14Å; F515-L611 HydrophobicContact CB-CD1 3.99Å; F515-L611 HydrophobicContact CD1-CD1 3.93Å; F515-L611 HydrophobicContact CD1-CD2 3.97Å; F515-L611 HydrophobicContact CD1-CG 4.04Å; F515-L611 HydrophobicContact CE1-CD2 4.31Å; F515-L611 HydrophobicContact CG-CD1 4.36Å; F515-F612 WeakPolarHBondContact CA-O 3.25Å
516	L	70	Confident	56.1	Low	0 Å²	0	71.5 Å²	71.5	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	113.6	168.3	164.7	63.3	0	0	0	107.7	I518 M530 I531 F532 L587 L611 F612	L516-I518 HydrophobicContact CD1-CG1 4.12Å; L516-I518 HydrophobicContact CD2-CD1 4.02Å; L516-I518 HydrophobicContact CD2-CG1 4.33Å; L516-I518 HydrophobicContact CG-CD1 4.15Å; L516-I518 HydrophobicContact CG-CG1 3.9Å; L516-M530 HydrophobicContact CD1-CB 3.92Å; L516-M530 HydrophobicContact CD1-CE 3.96Å; L516-M530 HydrophobicContact CD1-CG 4.26Å; L516-M530 HydrophobicContact CD2-CE 3.98Å; L516-I531 WeakPolarHBondContact CA-O 3.34Å; L516-F532 HydrophobicContact CD1-CD1 4.05Å; L516-F532 HydrophobicContact CD1-CD2 4.26Å; L516-F532 HydrophobicContact CD1-CE1 3.92Å; L516-F532 HydrophobicContact CD1-CE2 4.13Å; L516-F532 HydrophobicContact CD1-CG 4.22Å; L516-F532 HydrophobicContact CD1-CZ 3.97Å; L516-L587 HydrophobicContact CD2-CD2 3.39Å; L516-L611 WeakPolarHBondContact O-CA 3.27Å; L516-F612 HydrophobicContact CB-CB 4.15Å; L516-F612 HydrophobicContact CD2-CB 4.46Å; L516-F612 PolarHBondContact N-O 3.03Å; L516-F612 PolarHBondContact O-N 3.43Å
517	L	73.6	Confident	58.7	Low	25 Å²	25	67.8 Å²	67.8	13%	0.131	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.1	176	-170.8	81.5	0	0	0	109.3	L483 M530 I531 I609 C610 L611	L483-L517 HydrophobicContact CD2-CD2 3.98Å; L517-M530 CarbonylContact O-C 3.56Å; L517-M530 VanDerWaalsContact O-CA 3.3Å; L517-M530 WeakPolarHBondContact O-CA 3.25Å; L517-I531 HydrophobicContact CB-CB 4.28Å; L517-I531 HydrophobicContact CD2-CD1 4.32Å; L517-I531 PolarHBondContact N-O 3.04Å; L517-I531 PolarHBondContact O-N 3.12Å; L517-I609 HydrophobicContact CD1-CG2 3.51Å; L517-I609 HydrophobicContact CG-CG2 4.1Å; L517-C610 CarbonylContact C-O 3.59Å; L517-C610 WeakPolarHBondContact CA-O 3.06Å; L517-L611 HydrophobicContact CD1-CB 4.5Å; L517-L611 HydrophobicContact CD1-CD1 3.95Å
518	I	79.1	Confident	61.5	Low	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	120.2	177.7	-45.1	-161.4	0	0	0	108.8	L516 R529 M530 W572 W584 L587 I609 C610 F612	L516-I518 HydrophobicContact CD1-CG1 4.12Å; L516-I518 HydrophobicContact CD2-CD1 4.02Å; L516-I518 HydrophobicContact CD2-CG1 4.33Å; L516-I518 HydrophobicContact CG-CD1 4.15Å; L516-I518 HydrophobicContact CG-CG1 3.9Å; I518-R529 CarbonylContact C-O 3.49Å; I518-R529 WeakPolarHBondContact CA-O 3.37Å; I518-M530 HydrophobicContact CB-CG 4.22Å; I518-M530 HydrophobicContact CD1-CE 3.76Å; I518-M530 HydrophobicContact CD1-CG 3.99Å; I518-M530 HydrophobicContact CD1-SD 4.24Å; I518-M530 HydrophobicContact CG1-CE 4.46Å; I518-M530 HydrophobicContact CG1-CG 3.86Å; I518-M530 HydrophobicContact CG2-CG 3.85Å; I518-W572 HydrophobicContact CG2-CH2 4.11Å; I518-W584 HydrophobicContact CD1-CH2 4.47Å; I518-W584 HydrophobicContact CD1-CZ3 3.91Å; I518-W584 HydrophobicContact CG2-CH2 4.25Å; I518-L587 HydrophobicContact CD1-CD1 3.32Å; I518-I609 CarbonylContact O-C 3.55Å; I518-I609 VanDerWaalsContact O-CA 3.29Å; I518-I609 WeakPolarHBondContact O-CA 3.41Å; I518-C610 HydrophobicContact CB-CB 4.31Å; I518-C610 PolarHBondContact N-O 3.23Å; I518-C610 PolarHBondContact O-N 3.33Å; I518-F612 HydrophobicContact CD1-CD2 3.95Å; I518-F612 HydrophobicContact CD1-CE2 3.66Å; I518-F612 HydrophobicContact CG1-CD2 3.99Å; I518-F612 HydrophobicContact CG1-CE2 3.93Å
519	E	79.1	Confident	64.2	Low	20 Å²	20	54.5 Å²	54.5	9%	0.093	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.2	168.7	-173.3	-174.6	152.7	0	0	108.1	G528 R529 K602 C607 N608 I609	E519-G528 CarbonylContact O-C 3.36Å; E519-G528 WeakPolarHBondContact O-CA 3.24Å; E519-R529 HydrophobicContact CB-CG 3.88Å; E519-R529 PolarHBondContact N-O 2.74Å; E519-R529 PolarHBondContact O-N 2.72Å; E519-R529 IonicContact OE2-CZ 2.8Å; E519-R529 IonicContact OE2-NE 2.77Å; E519-R529 PolarHBondContact OE2-NE 2.98Å; E519-R529 VanDerWaalsContact OE2-NE 3.07Å; E519-R529 IonicContact OE2-NH2 3.79Å; E519-R529 PolarHBondContact OE2-NH2 3.23Å; E519-K602 WeakPolarHBondContact OE1-CE 3.38Å; E519-K602 IonicContact OE1-NZ 3.45Å; E519-K602 PolarHBondContact OE1-NZ 2.75Å; E519-K602 IonicContact OE2-NZ 2.9Å; E519-K602 PolarHBondContact OE2-NZ 2.83Å; E519-C607 HydrophobicContact CG-CB 4.13Å; E519-N608 WeakPolarHBondContact CA-O 3.32Å; E519-I609 HydrophobicContact CB-CG1 4.41Å; E519-I609 HydrophobicContact CG-CD1 4.38Å; E519-I609 HydrophobicContact CG-CG1 4.09Å
520	I	78.6	Confident	67	Low	1 Å²	1	48.5 Å²	48.5	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	133.2	-176.6	-171.8	163.5	0	0	0	112.5	H526 W572 M575 Q580 W584 C607 N608	I520-H526 HydrophobicContact CD1-CB 4.21Å; I520-H526 HydrophobicContact CG1-CB 4.11Å; I520-W572 HydrophobicContact CB-CZ2 4.23Å; I520-W572 HydrophobicContact CD1-CZ2 3.92Å; I520-W572 HydrophobicContact CG1-CZ2 4.06Å; I520-M575 HydrophobicContact CD1-CE 3.43Å; I520-M575 VanDerWaalsContact CD1-CE 3.43Å; I520-Q580 HydrophobicContact CD1-CG 3.67Å; I520-Q580 VanDerWaalsContact CD1-NE2 3.3Å; I520-W584 HydrophobicContact CG2-CH2 4.43Å; I520-W584 HydrophobicContact CG2-CZ2 4.15Å; I520-C607 CarbonylContact O-C 3.43Å; I520-C607 WeakPolarHBondContact O-CA 3.48Å; I520-N608 HydrophobicContact CG2-CB 4.06Å; I520-N608 PolarHBondContact N-O 3.26Å; I520-N608 PolarHBondContact O-N 3.05Å
521	D	76.7	Confident	69.6	Low	18 Å²	18	39.7 Å²	39.7	10%	0.096	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	139	177.8	-74.2	-29.8	0	0	0	111.8	I523 H526 Q527 R605 C607	D521-I523 VanDerWaalsContact C-N 3.29Å; D521-I523 PolarHBondContact O-N 3.35Å; D521-H526 PolarHBondContact O-ND1 3.19Å; D521-Q527 PolarHBondContact N-O 3.2Å; D521-Q527 WeakPolarHBondContact OD2-CB 3.28Å; D521-R605 WeakPolarHBondContact OD1-CD 3.07Å; D521-R605 WeakPolarHBondContact OD2-CD 3.41Å; D521-R605 IonicContact OD2-CZ 2.69Å; D521-R605 IonicContact OD2-NE 2.92Å; D521-R605 IonicContact OD2-NH1 3.1Å; D521-R605 PolarHBondContact OD2-NH1 3.42Å; D521-C607 PolarHBondContact OD1-SG 3.11Å
522	K	69.6	Low	71.8	Confident	88 Å²	88	36 Å²	36	38%	0.383	19%	0.19	S	C	.	.	S	Bend	trans	-73.5	-15	-179.7	-75.4	-167.5	-179.5	-172.8	0	115	N606 N608	K522-N606 HydrophobicContact CB-CB 4.34Å; K522-N606 WeakPolarHBondContact CB-O 3.41Å; K522-N606 HydrophobicContact CD-CB 4.09Å; K522-N606 HydrophobicContact CG-CB 4.35Å; K522-N606 WeakPolarHBondContact CG-O 3.42Å; K522-N606 PolarHBondContact N-O 3.31Å; K522-N608 WeakPolarHBondContact CE-OD1 3.24Å
523	I	67.9	Low	73.1	Confident	115 Å²	115	31 Å²	31	59%	0.59	17%	0.167	S	C	*	.	S	Bend	trans	-108.9	135.3	-173.5	-58.8	175.7	0	0	0	108.1	D521 P525 H526	D521-I523 VanDerWaalsContact C-N 3.29Å; D521-I523 PolarHBondContact O-N 3.35Å; I523-P525 CarbonylContact O-C 3.6Å; I523-H526 PolarHBondContact O-ND1 3.13Å
524	S	67.9	Low	74.4	Confident	59 Å²	59	33.4 Å²	33.4	41%	0.413	17%	0.173	S	C	.	.	S	Bend	trans	-78.8	140.5	175.1	-150.2	0	0	0	0	110.4
525	P	67	Low	74.7	Confident	74 Å²	74	34.8 Å²	34.8	48%	0.481	18%	0.182	S	C	.	.	S	Bend	cis	-70	128.8	-2.5	28.8	-34.2	0	0	0	112.2	I523 Q527 V574	I523-P525 CarbonylContact O-C 3.6Å; P525-Q527 PolarHBondContact O-N 3.16Å; P525-V574 HydrophobicContact CB-CB 4.42Å; P525-V574 HydrophobicContact CB-CG1 3.75Å
526	H	75.6	Confident	74.7	Confident	7 Å²	7	39.4 Å²	39.4	3%	0.032	21%	0.21	C	C	.	.			trans	-73.8	113.1	-174.1	-56	-77.1	0	0	0	109.8	I520 D521 I523 W572 M575 T577 Q580	I520-H526 HydrophobicContact CD1-CB 4.21Å; I520-H526 HydrophobicContact CG1-CB 4.11Å; D521-H526 PolarHBondContact O-ND1 3.19Å; I523-H526 PolarHBondContact O-ND1 3.13Å; H526-W572 PolarHBondContact O-NE1 3.37Å; H526-M575 HydrophobicContact CB-CB 4.35Å; H526-M575 HydrophobicContact CB-CE 4.36Å; H526-M575 PolarHBondContact CD2-O 3.49Å; H526-M575 VanDerWaalsContact CD2-O 3.29Å; H526-M575 PolarHBondContact N-O 2.83Å; H526-M575 WeakPolarHBondContact O-CB 3.46Å; H526-M575 PolarHBondContact O-N 2.83Å; H526-M575 VanDerWaalsContact O-N 3.16Å; H526-T577 PolarHBondContact NE2-OG1 2.97Å; H526-Q580 PolarHBondContact CD2-OE1 3.48Å; H526-Q580 PolarHBondContact CE1-OE1 3.42Å; H526-Q580 VanDerWaalsContact CE1-OE1 3.31Å; H526-Q580 PolarHBondContact NE2-OE1 3.09Å
527	Q	82.9	Confident	74.6	Confident	57 Å²	57	41.3 Å²	41.3	27%	0.266	22%	0.22	S	C	.	.			trans	-87.6	159.5	165.9	-36.5	-156.2	-43.6	0	0	109.4	D521 P525 W572 F573	D521-Q527 PolarHBondContact N-O 3.2Å; D521-Q527 WeakPolarHBondContact OD2-CB 3.28Å; P525-Q527 PolarHBondContact O-N 3.16Å; Q527-W572 WeakPolarHBondContact CA-O 3.45Å; Q527-F573 VanDerWaalsContact CD-O 3.32Å; Q527-F573 VanDerWaalsContact CG-O 3.26Å; Q527-F573 WeakPolarHBondContact CG-O 3.48Å; Q527-F573 PolarHBondContact NE2-O 2.78Å
528	G	85	Confident	74.5	Confident	15 Å²	15	46.3 Å²	46.3	16%	0.155	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.1	-171	177.8	0	0	0	0	0	114.6	E519 W572	E519-G528 CarbonylContact O-C 3.36Å; E519-G528 WeakPolarHBondContact O-CA 3.24Å; G528-W572 VanDerWaalsContact CA-CE2 3.49Å; G528-W572 VanDerWaalsContact CA-CZ2 3.45Å; G528-W572 PolarHBondContact N-O 3.46Å; G528-W572 PolarHBondContact O-N 2.85Å
529	R	85.7	Confident	74	Confident	44 Å²	44	52.6 Å²	52.6	17%	0.166	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	156.2	-179.7	54.3	166.6	177.3	165.1	7.7	112.7	I518 E519 E569 I570 T571 W572	I518-R529 CarbonylContact C-O 3.49Å; I518-R529 WeakPolarHBondContact CA-O 3.37Å; E519-R529 HydrophobicContact CB-CG 3.88Å; E519-R529 PolarHBondContact N-O 2.74Å; E519-R529 PolarHBondContact O-N 2.72Å; E519-R529 IonicContact OE2-CZ 2.8Å; E519-R529 IonicContact OE2-NE 2.77Å; E519-R529 PolarHBondContact OE2-NE 2.98Å; E519-R529 VanDerWaalsContact OE2-NE 3.07Å; E519-R529 IonicContact OE2-NH2 3.79Å; E519-R529 PolarHBondContact OE2-NH2 3.23Å; R529-E569 WeakPolarHBondContact CD-OE1 3.46Å; R529-E569 IonicContact CZ-OE1 3.29Å; R529-E569 IonicContact NE-OE1 3.61Å; R529-E569 IonicContact NH1-OE1 3.53Å; R529-E569 PolarHBondContact NH1-OE1 3.05Å; R529-I570 CarbonylContact C-O 3.17Å; R529-I570 WeakPolarHBondContact CA-O 3.36Å; R529-T571 HydrophobicContact CB-CG2 3.87Å; R529-W572 VanDerWaalsContact C-CZ3 3.48Å; R529-W572 VanDerWaalsContact CA-CZ3 3.42Å; R529-W572 VanDerWaalsContact N-CH2 3.28Å
530	M	87.2	Confident	73.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	118.1	179.2	-75.7	165.6	79	0	0	108.9	L516 L517 I518 F532 L547 F551 E569 I570 W572 L583 L587	L516-M530 HydrophobicContact CD1-CB 3.92Å; L516-M530 HydrophobicContact CD1-CE 3.96Å; L516-M530 HydrophobicContact CD1-CG 4.26Å; L516-M530 HydrophobicContact CD2-CE 3.98Å; L517-M530 CarbonylContact O-C 3.56Å; L517-M530 VanDerWaalsContact O-CA 3.3Å; L517-M530 WeakPolarHBondContact O-CA 3.25Å; I518-M530 HydrophobicContact CB-CG 4.22Å; I518-M530 HydrophobicContact CD1-CE 3.76Å; I518-M530 HydrophobicContact CD1-CG 3.99Å; I518-M530 HydrophobicContact CD1-SD 4.24Å; I518-M530 HydrophobicContact CG1-CE 4.46Å; I518-M530 HydrophobicContact CG1-CG 3.86Å; I518-M530 HydrophobicContact CG2-CG 3.85Å; M530-F532 HydrophobicContact CB-CD2 4.27Å; M530-F532 HydrophobicContact CB-CE2 3.51Å; M530-F532 HydrophobicContact CB-CZ 4.09Å; M530-F532 HydrophobicContact CE-CE2 4.48Å; M530-F532 HydrophobicContact CE-CZ 3.87Å; M530-F532 WeakPolarHBondContact O-CD2 3.38Å; M530-L547 HydrophobicContact CE-CD1 3.61Å; M530-L547 HydrophobicContact CE-CD2 3.96Å; M530-L547 HydrophobicContact CE-CG 4.42Å; M530-F551 HydrophobicContact SD-CE2 4.25Å; M530-F551 HydrophobicContact SD-CZ 4.42Å; M530-E569 CarbonylContact O-C 3.42Å; M530-E569 WeakPolarHBondContact O-CA 3.3Å; M530-I570 HydrophobicContact CB-CB 4.43Å; M530-I570 PolarHBondContact N-O 3.02Å; M530-I570 PolarHBondContact O-N 2.96Å; M530-W572 HydrophobicContact CB-CZ3 4.2Å; M530-W572 HydrophobicContact CG-CH2 3.77Å; M530-W572 HydrophobicContact CG-CZ3 3.57Å; M530-W572 HydrophobicContact SD-CH2 4.02Å; M530-W572 HydrophobicContact SD-CZ3 3.7Å; M530-L583 HydrophobicContact CE-CD1 4.16Å; M530-L583 HydrophobicContact SD-CD1 3.88Å; M530-L583 HydrophobicContact SD-CD2 4.14Å; M530-L587 HydrophobicContact CE-CD1 4.15Å; M530-L587 HydrophobicContact CE-CD2 3.92Å; M530-L587 HydrophobicContact CE-CG 4.46Å
531	I	82	Confident	73.3	Confident	11 Å²	11	56.8 Å²	56.8	6%	0.056	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.2	177.5	-59.7	175.8	0	0	0	108.6	L516 L517 H567 E569	L516-I531 WeakPolarHBondContact CA-O 3.34Å; L517-I531 HydrophobicContact CB-CB 4.28Å; L517-I531 HydrophobicContact CD2-CD1 4.32Å; L517-I531 PolarHBondContact N-O 3.04Å; L517-I531 PolarHBondContact O-N 3.12Å; I531-H567 HydrophobicContact CG2-CB 4.12Å; I531-E569 HydrophobicContact CG1-CB 4.49Å; I531-E569 HydrophobicContact CG1-CG 4.01Å
532	F	80.3	Confident	73.6	Confident	2 Å²	2	61 Å²	61	1%	0.009	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	111.5	-174.9	-66.1	-102.3	0	0	0	110	L516 M530 K534 F540 F544 L547 H567 S568 I570	L516-F532 HydrophobicContact CD1-CD1 4.05Å; L516-F532 HydrophobicContact CD1-CD2 4.26Å; L516-F532 HydrophobicContact CD1-CE1 3.92Å; L516-F532 HydrophobicContact CD1-CE2 4.13Å; L516-F532 HydrophobicContact CD1-CG 4.22Å; L516-F532 HydrophobicContact CD1-CZ 3.97Å; M530-F532 HydrophobicContact CB-CD2 4.27Å; M530-F532 HydrophobicContact CB-CE2 3.51Å; M530-F532 HydrophobicContact CB-CZ 4.09Å; M530-F532 HydrophobicContact CE-CE2 4.48Å; M530-F532 HydrophobicContact CE-CZ 3.87Å; M530-F532 WeakPolarHBondContact O-CD2 3.38Å; F532-K534 PolarHBondContact O-N 2.91Å; F532-F540 HydrophobicContact CB-CE1 3.72Å; F532-F540 HydrophobicContact CB-CZ 3.51Å; F532-F540 HydrophobicContact CD1-CE1 4.03Å; F532-F540 HydrophobicContact CD1-CE2 4.01Å; F532-F540 AromaticContact CD1-CZ 3.57Å; F532-F540 HydrophobicContact CD1-CZ 3.57Å; F532-F540 HydrophobicContact CG-CE1 4.39Å; F532-F540 AromaticContact CG-CZ 4Å; F532-F540 HydrophobicContact CG-CZ 4Å; F532-F544 HydrophobicContact CD1-CB 4.36Å; F532-F544 AromaticContact CD1-CD2 3.85Å; F532-F544 HydrophobicContact CD1-CD2 3.85Å; F532-F544 AromaticContact CD2-CD2 3.94Å; F532-F544 HydrophobicContact CD2-CD2 3.94Å; F532-F544 HydrophobicContact CD2-CE2 4.15Å; F532-F544 HydrophobicContact CE1-CB 4.27Å; F532-F544 AromaticContact CE1-CD2 3.88Å; F532-F544 HydrophobicContact CE1-CD2 3.88Å; F532-F544 AromaticContact CE2-CD2 3.97Å; F532-F544 HydrophobicContact CE2-CD2 3.97Å; F532-F544 HydrophobicContact CE2-CE2 4.26Å; F532-F544 AromaticContact CG-CD2 3.87Å; F532-F544 HydrophobicContact CG-CD2 3.87Å; F532-F544 HydrophobicContact CG-CE2 4.43Å; F532-F544 AromaticContact CZ-CD2 3.93Å; F532-F544 HydrophobicContact CZ-CD2 3.93Å; F532-L547 HydrophobicContact CE1-CD1 3.72Å; F532-L547 HydrophobicContact CZ-CD1 3.62Å; F532-H567 CarbonylContact O-C 3.59Å; F532-H567 WeakPolarHBondContact O-CA 3.29Å; F532-H567 WeakPolarHBondContact O-CB 3.41Å; F532-S568 WeakPolarHBondContact CB-O 3.47Å; F532-S568 PolarHBondContact N-O 3.43Å; F532-S568 PolarHBondContact O-N 3.4Å; F532-I570 HydrophobicContact CD2-CG1 4.34Å; F532-I570 HydrophobicContact CE2-CB 4.17Å; F532-I570 HydrophobicContact CE2-CD1 3.58Å; F532-I570 HydrophobicContact CE2-CG1 3.62Å; F532-I570 HydrophobicContact CZ-CD1 3.77Å; F532-I570 HydrophobicContact CZ-CG1 4.33Å
533	S	70.4	Confident	74.2	Confident	9 Å²	9	56.9 Å²	56.9	6%	0.063	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	122.1	173	56.6	0	0	0	0	111.4	F515 C535 F540	F515-S533 PolarHBondContact N-OG 2.82Å; F515-S533 PolarHBondContact O-N 2.75Å; F515-S533 PolarHBondContact O-OG 3.14Å; S533-C535 PolarHBondContact O-N 2.81Å; S533-F540 WeakPolarHBondContact O-CE1 3.45Å
534	K	68.1	Low	75	Confident	94 Å²	94	52.5 Å²	52.5	41%	0.409	27%	0.27	S	S	.	.			trans	-64.6	109.2	174.4	-82.7	180	173	179.8	0	108.8	F532 E563 Y564 S566 S568	F532-K534 PolarHBondContact O-N 2.91Å; K534-E563 IonicContact NZ-OE2 2.71Å; K534-E563 PolarHBondContact NZ-OE2 3.03Å; K534-Y564 WeakPolarHBondContact CD-O 3.17Å; K534-Y564 VanDerWaalsContact CE-O 3.27Å; K534-Y564 WeakPolarHBondContact CE-O 3.42Å; K534-Y564 PolarHBondContact NZ-O 2.83Å; K534-S566 PolarHBondContact N-O 3.35Å; K534-S568 WeakPolarHBondContact CE-OG 3.23Å
535	C	62	Low	75.9	Confident	35 Å²	35	53.1 Å²	53.1	24%	0.236	27%	0.269	C	S	.	.			trans	-136.9	150.4	179.1	61.1	0	0	0	0	109.4	S533 N537	S533-C535 PolarHBondContact O-N 2.81Å; C535-N537 PolarHBondContact O-N 3.34Å
536	N	60.7	Low	76.8	Confident	153 Å²	153	53.1 Å²	53.1	82%	0.818	26%	0.264	S	S	*	.	S	Bend	trans	-79.6	33	-175.8	-65.1	-2	0	0	0	112.4
537	N	67.1	Low	77.4	Confident	40 Å²	40	52.8 Å²	52.8	21%	0.214	26%	0.263	C	S	.	.			trans	-95.7	112.3	-176.3	-172.1	-24.7	0	0	0	109.9	C535 R539 F540 L541	C535-N537 PolarHBondContact O-N 3.34Å; N537-R539 VanDerWaalsContact C-N 3.31Å; N537-R539 PolarHBondContact O-N 2.91Å; N537-R539 PolarHBondContact OD1-N 2.83Å; N537-F540 HydrophobicContact CB-CB 4.03Å; N537-F540 VanDerWaalsContact O-CB 3.3Å; N537-F540 WeakPolarHBondContact O-CB 3.49Å; N537-F540 PolarHBondContact O-N 3.06Å; N537-L541 PolarHBondContact O-N 2.99Å
538	L	70.6	Confident	77.5	Confident	130 Å²	130	52.2 Å²	52.2	68%	0.681	26%	0.262	S	S	*	.	H	α-helix	trans	-56.4	-41.3	-177.2	-69.9	166.8	0	0	0	112.9	F540 L541 E542	L538-F540 PolarHBondContact O-N 2.7Å; L538-L541 WeakPolarHBondContact O-CB 3.4Å; L538-L541 PolarHBondContact O-N 3.01Å; L538-L541 VanDerWaalsContact O-N 3.12Å; L538-E542 WeakPolarHBondContact O-CG 3.33Å; L538-E542 PolarHBondContact O-N 2.96Å
539	R	68.5	Low	77.7	Confident	133 Å²	133	55.5 Å²	55.5	50%	0.502	28%	0.276	S	S	.	.	H	α-helix	trans	-61.2	-28.9	177	-68.5	-176.6	178.2	173.1	-1.1	113.3	N537 E542 C543 K615	N537-R539 VanDerWaalsContact C-N 3.31Å; N537-R539 PolarHBondContact O-N 2.91Å; N537-R539 PolarHBondContact OD1-N 2.83Å; R539-E542 WeakPolarHBondContact CA-OE2 3.46Å; R539-C543 WeakPolarHBondContact O-CB 3.48Å; R539-C543 PolarHBondContact O-N 2.78Å; R539-K615 PolarHBondContact NH1-OXT 2.78Å
540	F	70.1	Confident	77.9	Confident	13 Å²	13	54.5 Å²	54.5	6%	0.057	27%	0.272	C	S	.	.	H	α-helix	trans	-78.9	-35.1	179.5	-171.3	-101.4	0	0	0	111.3	F514 F532 S533 N537 L538 C543 F544	F514-F540 HydrophobicContact CB-CD2 3.87Å; F514-F540 HydrophobicContact CB-CE2 3.88Å; F514-F540 AromaticContact CD1-CD2 3.88Å; F514-F540 HydrophobicContact CD1-CD2 3.88Å; F514-F540 AromaticContact CD2-CD2 3.83Å; F514-F540 HydrophobicContact CD2-CD2 3.83Å; F514-F540 AromaticContact CD2-CE2 3.74Å; F514-F540 HydrophobicContact CD2-CE2 3.74Å; F514-F540 HydrophobicContact CE1-CD2 4.11Å; F514-F540 HydrophobicContact CE2-CD2 4.1Å; F514-F540 HydrophobicContact CE2-CE2 4.21Å; F514-F540 AromaticContact CG-CD2 3.67Å; F514-F540 HydrophobicContact CG-CD2 3.67Å; F514-F540 AromaticContact CG-CE2 3.89Å; F514-F540 HydrophobicContact CG-CE2 3.89Å; F514-F540 HydrophobicContact CZ-CD2 4.17Å; F532-F540 HydrophobicContact CB-CE1 3.72Å; F532-F540 HydrophobicContact CB-CZ 3.51Å; F532-F540 HydrophobicContact CD1-CE1 4.03Å; F532-F540 HydrophobicContact CD1-CE2 4.01Å; F532-F540 AromaticContact CD1-CZ 3.57Å; F532-F540 HydrophobicContact CD1-CZ 3.57Å; F532-F540 HydrophobicContact CG-CE1 4.39Å; F532-F540 AromaticContact CG-CZ 4Å; F532-F540 HydrophobicContact CG-CZ 4Å; S533-F540 WeakPolarHBondContact O-CE1 3.45Å; N537-F540 HydrophobicContact CB-CB 4.03Å; N537-F540 VanDerWaalsContact O-CB 3.3Å; N537-F540 WeakPolarHBondContact O-CB 3.49Å; N537-F540 PolarHBondContact O-N 3.06Å; L538-F540 PolarHBondContact O-N 2.7Å; F540-C543 PolarHBondContact O-N 3.18Å; F540-F544 WeakPolarHBondContact O-CB 3.36Å; F540-F544 PolarHBondContact O-N 2.74Å
541	L	74.4	Confident	77.9	Confident	96 Å²	96	54.5 Å²	54.5	50%	0.503	27%	0.272	S	S	.	.	H	α-helix	trans	-66.3	-41.1	170.2	-174.5	62.8	0	0	0	111.3	N537 L538 F544 N545	N537-L541 PolarHBondContact O-N 2.99Å; L538-L541 WeakPolarHBondContact O-CB 3.4Å; L538-L541 PolarHBondContact O-N 3.01Å; L538-L541 VanDerWaalsContact O-N 3.12Å; L541-F544 PolarHBondContact O-N 2.98Å; L541-N545 WeakPolarHBondContact O-CB 3.41Å; L541-N545 PolarHBondContact O-N 3.35Å; L541-N545 PolarHBondContact O-ND2 3.09Å
542	E	81.5	Confident	78.2	Confident	106 Å²	106	55.7 Å²	55.7	50%	0.495	28%	0.284	S	S	.	.	H	α-helix	trans	-57	-53.1	170.6	-70.1	163.6	-176.6	0	0	111.1	L538 R539 F544 N545 D546	L538-E542 WeakPolarHBondContact O-CG 3.33Å; L538-E542 PolarHBondContact O-N 2.96Å; R539-E542 WeakPolarHBondContact CA-OE2 3.46Å; E542-F544 PolarHBondContact O-N 2.92Å; E542-N545 PolarHBondContact O-N 3.14Å; E542-N545 VanDerWaalsContact O-N 3.14Å; E542-D546 PolarHBondContact O-N 3.44Å
543	C	83.7	Confident	78.4	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.014	32%	0.315	C	S	.	.	H	α-helix	trans	-57.4	-44.6	177.2	-177.9	0	0	0	0	112.9	R539 F540 N545 L547 H590	R539-C543 WeakPolarHBondContact O-CB 3.48Å; R539-C543 PolarHBondContact O-N 2.78Å; F540-C543 PolarHBondContact O-N 3.18Å; C543-N545 PolarHBondContact O-N 3.03Å; C543-L547 VanDerWaalsContact O-CB 3.3Å; C543-L547 WeakPolarHBondContact O-CB 3.21Å; C543-L547 VanDerWaalsContact O-CD1 3.3Å; C543-L547 WeakPolarHBondContact O-CD1 3.29Å; C543-L547 WeakPolarHBondContact O-CG 3.24Å; C543-L547 PolarHBondContact O-N 3.48Å; C543-H590 HydrophobicContact CB-CB 3.94Å; C543-H590 VanDerWaalsContact SG-CD2 3.56Å
544	F	84.5	Confident	79.1	Confident	23 Å²	23	66.1 Å²	66.1	10%	0.101	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-41.3	175.9	179.2	-94.5	0	0	0	112.3	F532 F540 L541 E542 N548 I561 I570	F532-F544 HydrophobicContact CD1-CB 4.36Å; F532-F544 AromaticContact CD1-CD2 3.85Å; F532-F544 HydrophobicContact CD1-CD2 3.85Å; F532-F544 AromaticContact CD2-CD2 3.94Å; F532-F544 HydrophobicContact CD2-CD2 3.94Å; F532-F544 HydrophobicContact CD2-CE2 4.15Å; F532-F544 HydrophobicContact CE1-CB 4.27Å; F532-F544 AromaticContact CE1-CD2 3.88Å; F532-F544 HydrophobicContact CE1-CD2 3.88Å; F532-F544 AromaticContact CE2-CD2 3.97Å; F532-F544 HydrophobicContact CE2-CD2 3.97Å; F532-F544 HydrophobicContact CE2-CE2 4.26Å; F532-F544 AromaticContact CG-CD2 3.87Å; F532-F544 HydrophobicContact CG-CD2 3.87Å; F532-F544 HydrophobicContact CG-CE2 4.43Å; F532-F544 AromaticContact CZ-CD2 3.93Å; F532-F544 HydrophobicContact CZ-CD2 3.93Å; F540-F544 WeakPolarHBondContact O-CB 3.36Å; F540-F544 PolarHBondContact O-N 2.74Å; L541-F544 PolarHBondContact O-N 2.98Å; E542-F544 PolarHBondContact O-N 2.92Å; F544-N548 WeakPolarHBondContact O-CB 3.43Å; F544-N548 PolarHBondContact O-N 2.8Å; F544-I561 HydrophobicContact CZ-CD1 4.09Å; F544-I561 HydrophobicContact CZ-CG2 4.04Å; F544-I570 HydrophobicContact CD2-CD1 4.07Å; F544-I570 HydrophobicContact CD2-CG1 4.49Å; F544-I570 HydrophobicContact CE2-CD1 3.79Å; F544-I570 HydrophobicContact CE2-CG1 3.82Å
545	N	85.7	Confident	79.8	Confident	72 Å²	72	62.1 Å²	62.1	39%	0.385	32%	0.318	S	S	.	.	H	α-helix	trans	-67.2	-44.9	178.3	-71.1	-20.9	0	0	0	111.8	L541 E542 C543 L547 N548 N549	L541-N545 WeakPolarHBondContact O-CB 3.41Å; L541-N545 PolarHBondContact O-N 3.35Å; L541-N545 PolarHBondContact O-ND2 3.09Å; E542-N545 PolarHBondContact O-N 3.14Å; E542-N545 VanDerWaalsContact O-N 3.14Å; C543-N545 PolarHBondContact O-N 3.03Å; N545-L547 VanDerWaalsContact C-N 3.34Å; N545-L547 PolarHBondContact O-N 2.84Å; N545-N548 PolarHBondContact O-N 3.17Å; N545-N549 WeakPolarHBondContact O-CB 3.3Å; N545-N549 PolarHBondContact O-N 3.47Å; N545-N549 PolarHBondContact O-ND2 3Å; N545-N549 VanDerWaalsContact O-ND2 3.17Å
546	D	86.8	Confident	80.2	Confident	73 Å²	73	64.3 Å²	64.3	39%	0.39	33%	0.332	S	S	.	.	H	α-helix	trans	-67.1	-36.3	178.7	-73.9	-17	0	0	0	111.9	E542 Y550 L586 H590	E542-D546 PolarHBondContact O-N 3.44Å; D546-Y550 WeakPolarHBondContact O-CB 3.35Å; D546-Y550 PolarHBondContact O-N 3.47Å; D546-L586 HydrophobicContact CB-CD2 4.21Å; D546-H590 IonicContact OD2-CE1 3.61Å; D546-H590 PolarHBondContact OD2-CE1 2.69Å; D546-H590 IonicContact OD2-NE2 2.79Å; D546-H590 PolarHBondContact OD2-NE2 3Å
547	L	87.7	Confident	81	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-49.5	169	-74.3	163.2	0	0	0	111.7	M530 F532 C543 N545 N549 Y550 F551 I570 L583 L586 L587	M530-L547 HydrophobicContact CE-CD1 3.61Å; M530-L547 HydrophobicContact CE-CD2 3.96Å; M530-L547 HydrophobicContact CE-CG 4.42Å; F532-L547 HydrophobicContact CE1-CD1 3.72Å; F532-L547 HydrophobicContact CZ-CD1 3.62Å; C543-L547 VanDerWaalsContact O-CB 3.3Å; C543-L547 WeakPolarHBondContact O-CB 3.21Å; C543-L547 VanDerWaalsContact O-CD1 3.3Å; C543-L547 WeakPolarHBondContact O-CD1 3.29Å; C543-L547 WeakPolarHBondContact O-CG 3.24Å; C543-L547 PolarHBondContact O-N 3.48Å; N545-L547 VanDerWaalsContact C-N 3.34Å; N545-L547 PolarHBondContact O-N 2.84Å; L547-N549 VanDerWaalsContact C-N 3.33Å; L547-N549 PolarHBondContact O-N 3.27Å; L547-Y550 WeakPolarHBondContact O-CB 3.13Å; L547-Y550 PolarHBondContact O-N 3.15Å; L547-Y550 VanDerWaalsContact O-N 3.13Å; L547-F551 VanDerWaalsContact O-CD2 3.22Å; L547-F551 WeakPolarHBondContact O-CD2 3.45Å; L547-F551 PolarHBondContact O-N 3.41Å; L547-I570 HydrophobicContact CB-CD1 4.41Å; L547-L583 HydrophobicContact CD2-CD1 3.38Å; L547-L586 HydrophobicContact CD2-CD2 3.65Å; L547-L586 HydrophobicContact CG-CD2 3.64Å; L547-L587 HydrophobicContact CD1-CD2 3.87Å; L547-L587 HydrophobicContact CD2-CD2 4.36Å
548	N	86.5	Confident	81.6	Confident	45 Å²	45	63.9 Å²	63.9	24%	0.241	33%	0.331	C	S	.	.	H	α-helix	trans	-59.6	-43.3	177.9	-176.9	26.5	0	0	0	111.6	F544 N545 Y550 F551 A552 Y559 I561	F544-N548 WeakPolarHBondContact O-CB 3.43Å; F544-N548 PolarHBondContact O-N 2.8Å; N545-N548 PolarHBondContact O-N 3.17Å; N548-Y550 VanDerWaalsContact C-N 3.34Å; N548-Y550 PolarHBondContact O-N 2.97Å; N548-F551 PolarHBondContact O-N 2.96Å; N548-A552 VanDerWaalsContact O-CB 3.32Å; N548-A552 WeakPolarHBondContact O-CB 3.35Å; N548-A552 PolarHBondContact O-N 3.48Å; N548-Y559 WeakPolarHBondContact OD1-CE2 3.32Å; N548-Y559 PolarHBondContact OD1-OH 2.96Å; N548-I561 HydrophobicContact CB-CD1 4.14Å; N548-I561 VanDerWaalsContact OD1-CD1 3.29Å; N548-I561 WeakPolarHBondContact OD1-CD1 2.96Å
549	N	88.7	Confident	82.5	Confident	84 Å²	84	59.9 Å²	59.9	45%	0.449	31%	0.308	S	S	.	.	H	α-helix	trans	-60.2	-42	174	-70.6	-28.7	0	0	0	111.7	N545 L547 A552 N553	N545-N549 WeakPolarHBondContact O-CB 3.3Å; N545-N549 PolarHBondContact O-N 3.47Å; N545-N549 PolarHBondContact O-ND2 3Å; N545-N549 VanDerWaalsContact O-ND2 3.17Å; L547-N549 VanDerWaalsContact C-N 3.33Å; L547-N549 PolarHBondContact O-N 3.27Å; N549-A552 PolarHBondContact O-N 2.96Å; N549-N553 WeakPolarHBondContact O-CB 3.33Å; N549-N553 VanDerWaalsContact O-CG 3.26Å; N549-N553 PolarHBondContact O-N 3.21Å; N549-N553 PolarHBondContact O-ND2 2.69Å; N549-N553 VanDerWaalsContact O-ND2 3.09Å
550	Y	89.9	Confident	83.4	Confident	23 Å²	23	59 Å²	59	9%	0.09	31%	0.309	C	S	.	.	H	α-helix	trans	-63.3	-47.1	175.5	-179.5	-92.3	0	0	0	112	D546 L547 N548 N553 H554 N579 K582 L586	D546-Y550 WeakPolarHBondContact O-CB 3.35Å; D546-Y550 PolarHBondContact O-N 3.47Å; L547-Y550 WeakPolarHBondContact O-CB 3.13Å; L547-Y550 PolarHBondContact O-N 3.15Å; L547-Y550 VanDerWaalsContact O-N 3.13Å; N548-Y550 VanDerWaalsContact C-N 3.34Å; N548-Y550 PolarHBondContact O-N 2.97Å; Y550-N553 PolarHBondContact O-N 3.44Å; Y550-H554 AromaticContact CD2-CD2 3.33Å; Y550-H554 WeakPolarHBondContact CD2-CD2 3.14Å; Y550-H554 AromaticContact CD2-NE2 3.89Å; Y550-H554 HydrophobicContact CE1-CB 4.44Å; Y550-H554 HydrophobicContact CE2-CB 4.4Å; Y550-H554 AromaticContact CE2-CD2 3.22Å; Y550-H554 WeakPolarHBondContact CE2-CD2 3.46Å; Y550-H554 AromaticContact CE2-CG 3.87Å; Y550-H554 AromaticContact CE2-NE2 3.74Å; Y550-H554 AromaticContact CZ-CD2 3.84Å; Y550-H554 WeakPolarHBondContact O-CB 3.44Å; Y550-H554 PolarHBondContact O-CD2 2.77Å; Y550-H554 PolarHBondContact O-N 3.31Å; Y550-N579 WeakPolarHBondContact OH-CA 3.38Å; Y550-N579 PolarHBondContact OH-OD1 2.75Å; Y550-K582 HydrophobicContact CE2-CB 3.9Å; Y550-K582 VanDerWaalsContact OH-CB 3.26Å; Y550-K582 WeakPolarHBondContact OH-CB 3.13Å; Y550-L586 HydrophobicContact CD2-CD1 4.33Å; Y550-L586 HydrophobicContact CG-CD1 4.24Å
551	F	87.8	Confident	84.2	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-63.5	-40.8	176.4	-82.4	-77.8	0	0	0	112.2	M530 L547 N548 N553 L555 Y559 I570 W572 L583	M530-F551 HydrophobicContact SD-CE2 4.25Å; M530-F551 HydrophobicContact SD-CZ 4.42Å; L547-F551 VanDerWaalsContact O-CD2 3.22Å; L547-F551 WeakPolarHBondContact O-CD2 3.45Å; L547-F551 PolarHBondContact O-N 3.41Å; N548-F551 PolarHBondContact O-N 2.96Å; F551-N553 PolarHBondContact O-N 2.55Å; F551-L555 HydrophobicContact CD1-CB 4.15Å; F551-L555 HydrophobicContact CD1-CD1 3.48Å; F551-L555 VanDerWaalsContact CD1-CD1 3.48Å; F551-L555 HydrophobicContact CD1-CG 4.43Å; F551-L555 HydrophobicContact CE1-CD1 3.57Å; F551-L555 CarbonylContact O-C 3.57Å; F551-L555 VanDerWaalsContact O-CA 3.25Å; F551-L555 WeakPolarHBondContact O-CA 3.11Å; F551-L555 WeakPolarHBondContact O-CB 3.31Å; F551-L555 PolarHBondContact O-N 2.78Å; F551-Y559 HydrophobicContact CB-CD1 4Å; F551-Y559 HydrophobicContact CB-CD2 3.59Å; F551-Y559 HydrophobicContact CB-CE1 4.08Å; F551-Y559 HydrophobicContact CB-CE2 3.65Å; F551-Y559 HydrophobicContact CB-CG 3.75Å; F551-Y559 HydrophobicContact CD1-CD2 4.38Å; F551-Y559 HydrophobicContact CD1-CG 4.14Å; F551-Y559 HydrophobicContact CG-CD2 4.08Å; F551-Y559 HydrophobicContact CG-CG 4.22Å; F551-I570 HydrophobicContact CD2-CG2 4.02Å; F551-I570 HydrophobicContact CE2-CG2 4.05Å; F551-I570 HydrophobicContact CG-CG2 4.4Å; F551-I570 HydrophobicContact CZ-CG2 4.42Å; F551-W572 HydrophobicContact CE1-CB 3.92Å; F551-W572 AromaticContact CE1-CD2 3.91Å; F551-W572 HydrophobicContact CE1-CD2 3.91Å; F551-W572 AromaticContact CE1-CE3 3.78Å; F551-W572 HydrophobicContact CE1-CE3 3.78Å; F551-W572 AromaticContact CE1-CG 3.96Å; F551-W572 HydrophobicContact CE1-CG 3.96Å; F551-W572 HydrophobicContact CZ-CD2 4.03Å; F551-W572 AromaticContact CZ-CE3 3.55Å; F551-W572 HydrophobicContact CZ-CE3 3.55Å; F551-W572 AromaticContact CZ-CZ3 3.99Å; F551-W572 HydrophobicContact CZ-CZ3 3.99Å; F551-L583 HydrophobicContact CE2-CD1 4Å; F551-L583 HydrophobicContact CZ-CD1 4.16Å
552	A	86.9	Confident	84.6	Confident	36 Å²	36	59.1 Å²	59.1	30%	0.298	31%	0.312	S	S	.	.	H	α-helix	trans	-60.4	-44.9	175.6	0	0	0	0	0	112.4	N548 N549 P556 Y559	N548-A552 VanDerWaalsContact O-CB 3.32Å; N548-A552 WeakPolarHBondContact O-CB 3.35Å; N548-A552 PolarHBondContact O-N 3.48Å; N549-A552 PolarHBondContact O-N 2.96Å; A552-P556 WeakPolarHBondContact O-CB 3.41Å; A552-Y559 WeakPolarHBondContact CB-OH 3.28Å
553	N	85.6	Confident	84.6	Confident	124 Å²	124	60.2 Å²	60.2	66%	0.663	32%	0.317	S	S	*	.	H	α-helix	trans	-79.6	-34.4	-175.1	-70	-31.2	0	0	0	113.7	N549 Y550 F551	N549-N553 WeakPolarHBondContact O-CB 3.33Å; N549-N553 VanDerWaalsContact O-CG 3.26Å; N549-N553 PolarHBondContact O-N 3.21Å; N549-N553 PolarHBondContact O-ND2 2.69Å; N549-N553 VanDerWaalsContact O-ND2 3.09Å; Y550-N553 PolarHBondContact O-N 3.44Å; F551-N553 PolarHBondContact O-N 2.55Å
554	H	85.2	Confident	84.3	Confident	106 Å²	106	64.9 Å²	64.9	49%	0.491	34%	0.335	S	S	.	.	H	α-helix	trans	-109.9	-13.9	-172.2	-62.9	-73.2	0	0	0	114.7	Y550	Y550-H554 AromaticContact CD2-CD2 3.33Å; Y550-H554 WeakPolarHBondContact CD2-CD2 3.14Å; Y550-H554 AromaticContact CD2-NE2 3.89Å; Y550-H554 HydrophobicContact CE1-CB 4.44Å; Y550-H554 HydrophobicContact CE2-CB 4.4Å; Y550-H554 AromaticContact CE2-CD2 3.22Å; Y550-H554 WeakPolarHBondContact CE2-CD2 3.46Å; Y550-H554 AromaticContact CE2-CG 3.87Å; Y550-H554 AromaticContact CE2-NE2 3.74Å; Y550-H554 AromaticContact CZ-CD2 3.84Å; Y550-H554 WeakPolarHBondContact O-CB 3.44Å; Y550-H554 PolarHBondContact O-CD2 2.77Å; Y550-H554 PolarHBondContact O-N 3.31Å
555	L	81.7	Confident	83.6	Confident	11 Å²	11	71.9 Å²	71.9	6%	0.058	37%	0.374	C	S	.	.			trans	-140.2	35.4	-174.4	-68.4	172.6	0	0	0	113.5	F551 N557 S558 Y559 V574 M575 N579	F551-L555 HydrophobicContact CD1-CB 4.15Å; F551-L555 HydrophobicContact CD1-CD1 3.48Å; F551-L555 VanDerWaalsContact CD1-CD1 3.48Å; F551-L555 HydrophobicContact CD1-CG 4.43Å; F551-L555 HydrophobicContact CE1-CD1 3.57Å; F551-L555 CarbonylContact O-C 3.57Å; F551-L555 VanDerWaalsContact O-CA 3.25Å; F551-L555 WeakPolarHBondContact O-CA 3.11Å; F551-L555 WeakPolarHBondContact O-CB 3.31Å; F551-L555 PolarHBondContact O-N 2.78Å; L555-N557 VanDerWaalsContact C-N 3.3Å; L555-N557 PolarHBondContact O-N 3.11Å; L555-S558 WeakPolarHBondContact CA-OG 3.23Å; L555-S558 WeakPolarHBondContact CB-OG 3.41Å; L555-S558 PolarHBondContact O-N 3.27Å; L555-S558 PolarHBondContact O-OG 3.31Å; L555-Y559 WeakPolarHBondContact O-CD1 3.49Å; L555-V574 WeakPolarHBondContact CD2-O 3.49Å; L555-M575 HydrophobicContact CD1-CB 4.33Å; L555-M575 HydrophobicContact CD1-CG 4Å; L555-M575 HydrophobicContact CD1-SD 4.05Å; L555-N579 WeakPolarHBondContact CD2-ND2 3.35Å
556	P	71.2	Confident	82.8	Confident	80 Å²	80	70.9 Å²	70.9	52%	0.519	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-34.7	-162.1	19.1	-33.1	0	0	0	115.7	A552	A552-P556 WeakPolarHBondContact O-CB 3.41Å
557	N	76.9	Confident	82.3	Confident	164 Å²	164	68.5 Å²	68.5	88%	0.877	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	10.4	-178	-64.5	-28.7	0	0	0	113.4	L555	L555-N557 VanDerWaalsContact C-N 3.3Å; L555-N557 PolarHBondContact O-N 3.11Å
558	S	80.6	Confident	81.9	Confident	21 Å²	21	69 Å²	69	15%	0.147	36%	0.363	C	S	.	.	S	Bend	trans	-129.6	12.6	-168.4	45.5	0	0	0	0	114.2	L555 W572 F573	L555-S558 WeakPolarHBondContact CA-OG 3.23Å; L555-S558 WeakPolarHBondContact CB-OG 3.41Å; L555-S558 PolarHBondContact O-N 3.27Å; L555-S558 PolarHBondContact O-OG 3.31Å; S558-W572 CarbonylContact O-C 3.56Å; S558-W572 WeakPolarHBondContact O-CA 3.37Å; S558-W572 VanDerWaalsContact O-CB 3.3Å; S558-W572 WeakPolarHBondContact O-CB 3.5Å; S558-F573 PolarHBondContact O-N 3.26Å
559	Y	88.5	Confident	81.8	Confident	46 Å²	46	67.7 Å²	67.7	18%	0.18	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	159.6	174.6	88.6	-69.5	0	0	0	112.9	N548 F551 A552 L555 I561 I570 T571	N548-Y559 WeakPolarHBondContact OD1-CE2 3.32Å; N548-Y559 PolarHBondContact OD1-OH 2.96Å; F551-Y559 HydrophobicContact CB-CD1 4Å; F551-Y559 HydrophobicContact CB-CD2 3.59Å; F551-Y559 HydrophobicContact CB-CE1 4.08Å; F551-Y559 HydrophobicContact CB-CE2 3.65Å; F551-Y559 HydrophobicContact CB-CG 3.75Å; F551-Y559 HydrophobicContact CD1-CD2 4.38Å; F551-Y559 HydrophobicContact CD1-CG 4.14Å; F551-Y559 HydrophobicContact CG-CD2 4.08Å; F551-Y559 HydrophobicContact CG-CG 4.22Å; A552-Y559 WeakPolarHBondContact CB-OH 3.28Å; L555-Y559 WeakPolarHBondContact O-CD1 3.49Å; Y559-I561 HydrophobicContact CD2-CG1 4.17Å; Y559-I561 HydrophobicContact CE2-CD1 4.01Å; Y559-I561 HydrophobicContact CE2-CG1 3.88Å; Y559-I570 HydrophobicContact CD2-CG2 4.07Å; Y559-T571 CarbonylContact C-O 3.54Å; Y559-T571 WeakPolarHBondContact CA-O 3.26Å; Y559-T571 WeakPolarHBondContact CB-O 3.31Å
560	Q	86.9	Confident	81.7	Confident	114 Å²	114	63.7 Å²	63.7	53%	0.533	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	143.3	174.8	-74.9	173.4	1.9	0	0	109.6	T571 F573	Q560-T571 PolarHBondContact N-O 3.34Å; Q560-T571 PolarHBondContact O-N 3.44Å; Q560-T571 PolarHBondContact O-OG1 3.3Å; Q560-F573 HydrophobicContact CB-CE2 4.47Å; Q560-F573 HydrophobicContact CB-CZ 4.49Å; Q560-F573 HydrophobicContact CG-CE2 3.93Å; Q560-F573 HydrophobicContact CG-CZ 4.18Å
561	I	86.8	Confident	81.6	Confident	59 Å²	59	63.8 Å²	63.8	30%	0.303	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.5	173	-57.5	-167.7	0	0	0	109	F544 N548 Y559 E569 I570	F544-I561 HydrophobicContact CZ-CD1 4.09Å; F544-I561 HydrophobicContact CZ-CG2 4.04Å; N548-I561 HydrophobicContact CB-CD1 4.14Å; N548-I561 VanDerWaalsContact OD1-CD1 3.29Å; N548-I561 WeakPolarHBondContact OD1-CD1 2.96Å; Y559-I561 HydrophobicContact CD2-CG1 4.17Å; Y559-I561 HydrophobicContact CE2-CD1 4.01Å; Y559-I561 HydrophobicContact CE2-CG1 3.88Å; I561-E569 CarbonylContact C-O 3.51Å; I561-E569 WeakPolarHBondContact CA-O 3.42Å; I561-I570 HydrophobicContact CD1-CD1 4.34Å; I561-I570 HydrophobicContact CD1-CG1 4.13Å; I561-I570 HydrophobicContact CG1-CG1 4.08Å; I561-I570 HydrophobicContact CG1-CG2 4.47Å
562	T	83.7	Confident	81.6	Confident	52 Å²	52	63.9 Å²	63.9	32%	0.319	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.1	172.2	-50.7	0	0	0	0	109	Y564 E569	T562-Y564 HydrophobicContact CG2-CD2 4.27Å; T562-Y564 HydrophobicContact CG2-CE1 4.15Å; T562-Y564 HydrophobicContact CG2-CE2 3.6Å; T562-E569 PolarHBondContact N-O 2.92Å; T562-E569 PolarHBondContact O-N 2.63Å
563	E	81.2	Confident	81.4	Confident	129 Å²	129	66.2 Å²	66.2	60%	0.603	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	135.1	173.4	-72.4	-155.6	-157.2	0	0	111.6	K534	K534-E563 IonicContact NZ-OE2 2.71Å; K534-E563 PolarHBondContact NZ-OE2 3.03Å
564	Y	77.1	Confident	81.1	Confident	100 Å²	100	63.9 Å²	63.9	39%	0.392	33%	0.331	S	S	.	.			trans	-120.4	169	172.1	-56.3	-88.9	0	0	0	109.4	K534 T562 S566 H567 E569	K534-Y564 WeakPolarHBondContact CD-O 3.17Å; K534-Y564 VanDerWaalsContact CE-O 3.27Å; K534-Y564 WeakPolarHBondContact CE-O 3.42Å; K534-Y564 PolarHBondContact NZ-O 2.83Å; T562-Y564 HydrophobicContact CG2-CD2 4.27Å; T562-Y564 HydrophobicContact CG2-CE1 4.15Å; T562-Y564 HydrophobicContact CG2-CE2 3.6Å; Y564-S566 VanDerWaalsContact C-N 3.27Å; Y564-S566 PolarHBondContact O-N 3.21Å; Y564-H567 CarbonylContact C-O 3.5Å; Y564-H567 WeakPolarHBondContact CA-O 3.38Å; Y564-H567 WeakPolarHBondContact CB-O 3.43Å; Y564-H567 AromaticContact CD2-CD2 3.45Å; Y564-H567 VanDerWaalsContact CD2-CD2 3.45Å; Y564-H567 WeakPolarHBondContact CD2-CD2 3.49Å; Y564-H567 AromaticContact CD2-CE1 3.69Å; Y564-H567 AromaticContact CD2-NE2 3.19Å; Y564-H567 WeakPolarHBondContact CD2-NE2 3.41Å; Y564-H567 AromaticContact CE2-NE2 3.54Å; Y564-H567 AromaticContact CG-CE1 3.73Å; Y564-H567 AromaticContact CG-NE2 3.72Å; Y564-H567 PolarHBondContact N-O 2.93Å; Y564-E569 HydrophobicContact CE2-CB 4.1Å; Y564-E569 PolarHBondContact OH-OE2 2.74Å
565	D	69.5	Low	80.9	Confident	170 Å²	170	58.9 Å²	58.9	91%	0.909	31%	0.307	S	S	*	.	S	Bend	trans	-63	-33.5	179.5	-63.6	-32.7	0	0	0	112.8
566	S	69.4	Low	80.6	Confident	52 Å²	52	60.7 Å²	60.7	36%	0.364	32%	0.321	S	S	.	.	S	Bend	trans	-100.9	-16.9	-174.6	59.9	0	0	0	0	114.6	E484 K534 Y564	E484-S566 PolarHBondContact OE1-OG 2.87Å; K534-S566 PolarHBondContact N-O 3.35Å; Y564-S566 VanDerWaalsContact C-N 3.27Å; Y564-S566 PolarHBondContact O-N 3.21Å
567	H	77.6	Confident	80.8	Confident	22 Å²	22	60.1 Å²	60.1	10%	0.102	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	164.6	-173.8	59	-77.2	0	0	0	112.9	I531 F532 Y564	I531-H567 HydrophobicContact CG2-CB 4.12Å; F532-H567 CarbonylContact O-C 3.59Å; F532-H567 WeakPolarHBondContact O-CA 3.29Å; F532-H567 WeakPolarHBondContact O-CB 3.41Å; Y564-H567 CarbonylContact C-O 3.5Å; Y564-H567 WeakPolarHBondContact CA-O 3.38Å; Y564-H567 WeakPolarHBondContact CB-O 3.43Å; Y564-H567 AromaticContact CD2-CD2 3.45Å; Y564-H567 VanDerWaalsContact CD2-CD2 3.45Å; Y564-H567 WeakPolarHBondContact CD2-CD2 3.49Å; Y564-H567 AromaticContact CD2-CE1 3.69Å; Y564-H567 AromaticContact CD2-NE2 3.19Å; Y564-H567 WeakPolarHBondContact CD2-NE2 3.41Å; Y564-H567 AromaticContact CE2-NE2 3.54Å; Y564-H567 AromaticContact CG-CE1 3.73Å; Y564-H567 AromaticContact CG-NE2 3.72Å; Y564-H567 PolarHBondContact N-O 2.93Å
568	S	79.2	Confident	80.8	Confident	11 Å²	11	59.8 Å²	59.8	8%	0.077	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	143.3	164.7	-57.7	0	0	0	0	108.8	F532 K534	F532-S568 WeakPolarHBondContact CB-O 3.47Å; F532-S568 PolarHBondContact N-O 3.43Å; F532-S568 PolarHBondContact O-N 3.4Å; K534-S568 WeakPolarHBondContact CE-OG 3.23Å
569	E	84.6	Confident	80.8	Confident	18 Å²	18	59.7 Å²	59.7	8%	0.084	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.9	178.8	-174.8	172.2	-158.1	0	0	109.3	R529 M530 I531 I561 T562 Y564 T571	R529-E569 WeakPolarHBondContact CD-OE1 3.46Å; R529-E569 IonicContact CZ-OE1 3.29Å; R529-E569 IonicContact NE-OE1 3.61Å; R529-E569 IonicContact NH1-OE1 3.53Å; R529-E569 PolarHBondContact NH1-OE1 3.05Å; M530-E569 CarbonylContact O-C 3.42Å; M530-E569 WeakPolarHBondContact O-CA 3.3Å; I531-E569 HydrophobicContact CG1-CB 4.49Å; I531-E569 HydrophobicContact CG1-CG 4.01Å; I561-E569 CarbonylContact C-O 3.51Å; I561-E569 WeakPolarHBondContact CA-O 3.42Å; T562-E569 PolarHBondContact N-O 2.92Å; T562-E569 PolarHBondContact O-N 2.63Å; Y564-E569 HydrophobicContact CE2-CB 4.1Å; Y564-E569 PolarHBondContact OH-OE2 2.74Å; E569-T571 HydrophobicContact CG-CG2 3.82Å
570	I	86.1	Confident	80.3	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	120.3	168	-55.3	-178.6	0	0	0	107	R529 M530 F532 F544 L547 F551 Y559 I561	R529-I570 CarbonylContact C-O 3.17Å; R529-I570 WeakPolarHBondContact CA-O 3.36Å; M530-I570 HydrophobicContact CB-CB 4.43Å; M530-I570 PolarHBondContact N-O 3.02Å; M530-I570 PolarHBondContact O-N 2.96Å; F532-I570 HydrophobicContact CD2-CG1 4.34Å; F532-I570 HydrophobicContact CE2-CB 4.17Å; F532-I570 HydrophobicContact CE2-CD1 3.58Å; F532-I570 HydrophobicContact CE2-CG1 3.62Å; F532-I570 HydrophobicContact CZ-CD1 3.77Å; F532-I570 HydrophobicContact CZ-CG1 4.33Å; F544-I570 HydrophobicContact CD2-CD1 4.07Å; F544-I570 HydrophobicContact CD2-CG1 4.49Å; F544-I570 HydrophobicContact CE2-CD1 3.79Å; F544-I570 HydrophobicContact CE2-CG1 3.82Å; L547-I570 HydrophobicContact CB-CD1 4.41Å; F551-I570 HydrophobicContact CD2-CG2 4.02Å; F551-I570 HydrophobicContact CE2-CG2 4.05Å; F551-I570 HydrophobicContact CG-CG2 4.4Å; F551-I570 HydrophobicContact CZ-CG2 4.42Å; Y559-I570 HydrophobicContact CD2-CG2 4.07Å; I561-I570 HydrophobicContact CD1-CD1 4.34Å; I561-I570 HydrophobicContact CD1-CG1 4.13Å; I561-I570 HydrophobicContact CG1-CG1 4.08Å; I561-I570 HydrophobicContact CG1-CG2 4.47Å
571	T	87	Confident	79.9	Confident	25 Å²	25	58.5 Å²	58.5	15%	0.153	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	147.5	175.1	65.7	0	0	0	0	110.4	R529 Y559 Q560 E569	R529-T571 HydrophobicContact CB-CG2 3.87Å; Y559-T571 CarbonylContact C-O 3.54Å; Y559-T571 WeakPolarHBondContact CA-O 3.26Å; Y559-T571 WeakPolarHBondContact CB-O 3.31Å; Q560-T571 PolarHBondContact N-O 3.34Å; Q560-T571 PolarHBondContact O-N 3.44Å; Q560-T571 PolarHBondContact O-OG1 3.3Å; E569-T571 HydrophobicContact CG-CG2 3.82Å
572	W	87.9	Confident	79.7	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.008	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147.8	173.1	66.2	88.7	0	0	0	112.4	I518 I520 H526 Q527 G528 R529 M530 F551 S558 M575 L583	I518-W572 HydrophobicContact CG2-CH2 4.11Å; I520-W572 HydrophobicContact CB-CZ2 4.23Å; I520-W572 HydrophobicContact CD1-CZ2 3.92Å; I520-W572 HydrophobicContact CG1-CZ2 4.06Å; H526-W572 PolarHBondContact O-NE1 3.37Å; Q527-W572 WeakPolarHBondContact CA-O 3.45Å; G528-W572 VanDerWaalsContact CA-CE2 3.49Å; G528-W572 VanDerWaalsContact CA-CZ2 3.45Å; G528-W572 PolarHBondContact N-O 3.46Å; G528-W572 PolarHBondContact O-N 2.85Å; R529-W572 VanDerWaalsContact C-CZ3 3.48Å; R529-W572 VanDerWaalsContact CA-CZ3 3.42Å; R529-W572 VanDerWaalsContact N-CH2 3.28Å; M530-W572 HydrophobicContact CB-CZ3 4.2Å; M530-W572 HydrophobicContact CG-CH2 3.77Å; M530-W572 HydrophobicContact CG-CZ3 3.57Å; M530-W572 HydrophobicContact SD-CH2 4.02Å; M530-W572 HydrophobicContact SD-CZ3 3.7Å; F551-W572 HydrophobicContact CE1-CB 3.92Å; F551-W572 AromaticContact CE1-CD2 3.91Å; F551-W572 HydrophobicContact CE1-CD2 3.91Å; F551-W572 AromaticContact CE1-CE3 3.78Å; F551-W572 HydrophobicContact CE1-CE3 3.78Å; F551-W572 AromaticContact CE1-CG 3.96Å; F551-W572 HydrophobicContact CE1-CG 3.96Å; F551-W572 HydrophobicContact CZ-CD2 4.03Å; F551-W572 AromaticContact CZ-CE3 3.55Å; F551-W572 HydrophobicContact CZ-CE3 3.55Å; F551-W572 AromaticContact CZ-CZ3 3.99Å; F551-W572 HydrophobicContact CZ-CZ3 3.99Å; S558-W572 CarbonylContact O-C 3.56Å; S558-W572 WeakPolarHBondContact O-CA 3.37Å; S558-W572 VanDerWaalsContact O-CB 3.3Å; S558-W572 WeakPolarHBondContact O-CB 3.5Å; W572-M575 HydrophobicContact CZ2-CE 4.08Å; W572-L583 HydrophobicContact CH2-CD2 4.4Å
573	F	83.5	Confident	79.7	Confident	84 Å²	84	56 Å²	56	37%	0.368	28%	0.283	S	S	.	.	S	Bend	trans	-106.7	-21.6	-170.1	-48.8	-68.1	0	0	0	113.3	Q527 S558 Q560	Q527-F573 VanDerWaalsContact CD-O 3.32Å; Q527-F573 VanDerWaalsContact CG-O 3.26Å; Q527-F573 WeakPolarHBondContact CG-O 3.48Å; Q527-F573 PolarHBondContact NE2-O 2.78Å; S558-F573 PolarHBondContact O-N 3.26Å; Q560-F573 HydrophobicContact CB-CE2 4.47Å; Q560-F573 HydrophobicContact CB-CZ 4.49Å; Q560-F573 HydrophobicContact CG-CE2 3.93Å; Q560-F573 HydrophobicContact CG-CZ 4.18Å
574	V	79	Confident	79.8	Confident	76 Å²	76	52.6 Å²	52.6	46%	0.461	27%	0.265	S	S	.	.			trans	-148.5	123.3	-179.8	177.1	0	0	0	0	107.5	P525 L555	P525-V574 HydrophobicContact CB-CB 4.42Å; P525-V574 HydrophobicContact CB-CG1 3.75Å; L555-V574 WeakPolarHBondContact CD2-O 3.49Å
575	M	81	Confident	79.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.265	C	S	.	.			trans	-144.9	132	171.8	-175.9	170	61.8	0	0	109.9	I520 H526 L555 W572 N579 Q580 L583	I520-M575 HydrophobicContact CD1-CE 3.43Å; I520-M575 VanDerWaalsContact CD1-CE 3.43Å; H526-M575 HydrophobicContact CB-CB 4.35Å; H526-M575 HydrophobicContact CB-CE 4.36Å; H526-M575 PolarHBondContact CD2-O 3.49Å; H526-M575 VanDerWaalsContact CD2-O 3.29Å; H526-M575 PolarHBondContact N-O 2.83Å; H526-M575 WeakPolarHBondContact O-CB 3.46Å; H526-M575 PolarHBondContact O-N 2.83Å; H526-M575 VanDerWaalsContact O-N 3.16Å; L555-M575 HydrophobicContact CD1-CB 4.33Å; L555-M575 HydrophobicContact CD1-CG 4Å; L555-M575 HydrophobicContact CD1-SD 4.05Å; W572-M575 HydrophobicContact CZ2-CE 4.08Å; M575-N579 HydrophobicContact CG-CB 3.5Å; M575-N579 VanDerWaalsContact CG-CB 3.5Å; M575-N579 HydrophobicContact SD-CB 4.13Å; M575-Q580 HydrophobicContact CE-CB 3.85Å; M575-Q580 HydrophobicContact CE-CG 4.08Å; M575-L583 HydrophobicContact CE-CD2 3.92Å; M575-L583 HydrophobicContact SD-CD2 4.28Å
576	S	75.5	Confident	80.6	Confident	49 Å²	49	45.2 Å²	45.2	34%	0.343	23%	0.23	S	C	.	.			trans	-71.7	159.7	175.1	68.9	0	0	0	0	111.2	Y578 N579 Q580	S576-Y578 PolarHBondContact O-N 3.41Å; S576-N579 PolarHBondContact O-N 3.38Å; S576-N579 PolarHBondContact OG-N 3.15Å; S576-N579 VanDerWaalsContact OG-N 3.1Å; S576-Q580 PolarHBondContact O-N 3.35Å
577	T	75.2	Confident	81.1	Confident	69 Å²	69	42.8 Å²	42.8	42%	0.423	21%	0.212	S	C	.	.	H	α-helix	trans	-63.1	-30.3	175	-50.7	0	0	0	0	112	H526 Q580 L581	H526-T577 PolarHBondContact NE2-OG1 2.97Å; T577-Q580 WeakPolarHBondContact O-CB 3.47Å; T577-Q580 PolarHBondContact O-N 2.92Å; T577-L581 WeakPolarHBondContact O-CG 3.48Å; T577-L581 PolarHBondContact O-N 3.22Å
578	Y	76.8	Confident	81.1	Confident	156 Å²	156	47.3 Å²	47.3	61%	0.612	24%	0.237	S	C	*	.	H	α-helix	trans	-61.7	-49.5	170.6	177.3	-91.4	0	0	0	111.9	S576 Q580 L581 K582	S576-Y578 PolarHBondContact O-N 3.41Å; Y578-Q580 VanDerWaalsContact C-N 3.28Å; Y578-Q580 PolarHBondContact O-N 3.41Å; Y578-L581 PolarHBondContact O-N 3.16Å; Y578-L581 VanDerWaalsContact O-N 3.15Å; Y578-K582 HydrophobicContact CE1-CG 4.05Å; Y578-K582 PolarHBondContact O-N 2.94Å
579	N	79.7	Confident	81.2	Confident	20 Å²	20	52.3 Å²	52.3	11%	0.107	26%	0.263	C	S	.	.	H	α-helix	trans	-65.7	-32.3	177.8	-73	1.3	0	0	0	111.7	Y550 L555 M575 S576 K582 L583	Y550-N579 WeakPolarHBondContact OH-CA 3.38Å; Y550-N579 PolarHBondContact OH-OD1 2.75Å; L555-N579 WeakPolarHBondContact CD2-ND2 3.35Å; M575-N579 HydrophobicContact CG-CB 3.5Å; M575-N579 VanDerWaalsContact CG-CB 3.5Å; M575-N579 HydrophobicContact SD-CB 4.13Å; S576-N579 PolarHBondContact O-N 3.38Å; S576-N579 PolarHBondContact OG-N 3.15Å; S576-N579 VanDerWaalsContact OG-N 3.1Å; N579-K582 PolarHBondContact O-N 3.11Å; N579-L583 WeakPolarHBondContact O-CB 3.36Å; N579-L583 PolarHBondContact O-N 3.36Å
580	Q	79.2	Confident	80.9	Confident	24 Å²	24	53.1 Å²	53.1	11%	0.112	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-43.1	171.6	-173.3	-175.4	16.4	0	0	112.3	I520 H526 M575 S576 T577 Y578 L583 W584	I520-Q580 HydrophobicContact CD1-CG 3.67Å; I520-Q580 VanDerWaalsContact CD1-NE2 3.3Å; H526-Q580 PolarHBondContact CD2-OE1 3.48Å; H526-Q580 PolarHBondContact CE1-OE1 3.42Å; H526-Q580 VanDerWaalsContact CE1-OE1 3.31Å; H526-Q580 PolarHBondContact NE2-OE1 3.09Å; M575-Q580 HydrophobicContact CE-CB 3.85Å; M575-Q580 HydrophobicContact CE-CG 4.08Å; S576-Q580 PolarHBondContact O-N 3.35Å; T577-Q580 WeakPolarHBondContact O-CB 3.47Å; T577-Q580 PolarHBondContact O-N 2.92Å; Y578-Q580 VanDerWaalsContact C-N 3.28Å; Y578-Q580 PolarHBondContact O-N 3.41Å; Q580-L583 WeakPolarHBondContact O-CB 3.2Å; Q580-L583 PolarHBondContact O-N 3.3Å; Q580-W584 PolarHBondContact O-N 2.95Å; Q580-W584 VanDerWaalsContact O-N 3.12Å
581	L	79.2	Confident	80.2	Confident	110 Å²	110	57.7 Å²	57.7	58%	0.576	29%	0.291	S	S	*	.	H	α-helix	trans	-65.3	-40.4	177.3	-70.4	170.4	0	0	0	111.4	T577 Y578 W584 E585	T577-L581 WeakPolarHBondContact O-CG 3.48Å; T577-L581 PolarHBondContact O-N 3.22Å; Y578-L581 PolarHBondContact O-N 3.16Å; Y578-L581 VanDerWaalsContact O-N 3.15Å; L581-W584 PolarHBondContact O-N 3.45Å; L581-E585 PolarHBondContact O-N 3Å
582	K	81.5	Confident	79.4	Confident	59 Å²	59	56.6 Å²	56.6	26%	0.257	28%	0.284	S	S	.	.	H	α-helix	trans	-64.9	-36.4	174.2	-77.4	-75.1	164.5	-160.1	0	113.1	Y550 Y578 N579 E585 L586	Y550-K582 HydrophobicContact CE2-CB 3.9Å; Y550-K582 VanDerWaalsContact OH-CB 3.26Å; Y550-K582 WeakPolarHBondContact OH-CB 3.13Å; Y578-K582 HydrophobicContact CE1-CG 4.05Å; Y578-K582 PolarHBondContact O-N 2.94Å; N579-K582 PolarHBondContact O-N 3.11Å; K582-E585 WeakPolarHBondContact CD-OE2 3.46Å; K582-E585 VanDerWaalsContact CE-OE2 3.3Å; K582-E585 WeakPolarHBondContact CE-OE2 3.36Å; K582-E585 VanDerWaalsContact NZ-CD 3.28Å; K582-E585 IonicContact NZ-OE1 3.76Å; K582-E585 PolarHBondContact NZ-OE1 3.5Å; K582-E585 VanDerWaalsContact NZ-OE1 3.1Å; K582-E585 IonicContact NZ-OE2 3.81Å; K582-E585 PolarHBondContact NZ-OE2 3.02Å; K582-E585 PolarHBondContact O-N 2.97Å; K582-L586 WeakPolarHBondContact O-CB 3.41Å; K582-L586 PolarHBondContact O-N 3.21Å
583	L	84	Confident	78.4	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59.4	-45.4	170.9	179.2	67.1	0	0	0	111.6	M530 L547 F551 W572 M575 N579 Q580 L586 L587	M530-L583 HydrophobicContact CE-CD1 4.16Å; M530-L583 HydrophobicContact SD-CD1 3.88Å; M530-L583 HydrophobicContact SD-CD2 4.14Å; L547-L583 HydrophobicContact CD2-CD1 3.38Å; F551-L583 HydrophobicContact CE2-CD1 4Å; F551-L583 HydrophobicContact CZ-CD1 4.16Å; W572-L583 HydrophobicContact CH2-CD2 4.4Å; M575-L583 HydrophobicContact CE-CD2 3.92Å; M575-L583 HydrophobicContact SD-CD2 4.28Å; N579-L583 WeakPolarHBondContact O-CB 3.36Å; N579-L583 PolarHBondContact O-N 3.36Å; Q580-L583 WeakPolarHBondContact O-CB 3.2Å; Q580-L583 PolarHBondContact O-N 3.3Å; L583-L586 PolarHBondContact O-N 2.94Å; L583-L587 HydrophobicContact CG-CD1 4.32Å; L583-L587 VanDerWaalsContact O-CG 3.32Å; L583-L587 WeakPolarHBondContact O-CG 3.34Å; L583-L587 PolarHBondContact O-N 2.88Å; L583-L587 VanDerWaalsContact O-N 3.14Å
584	W	82.2	Confident	77.7	Confident	58 Å²	58	60.6 Å²	60.6	22%	0.22	31%	0.306	C	S	.	.	H	α-helix	trans	-64.9	-40.9	176.5	-63.9	130.4	0	0	0	112.6	I518 I520 Q580 L581 L587 L588 C610 F612	I518-W584 HydrophobicContact CD1-CH2 4.47Å; I518-W584 HydrophobicContact CD1-CZ3 3.91Å; I518-W584 HydrophobicContact CG2-CH2 4.25Å; I520-W584 HydrophobicContact CG2-CH2 4.43Å; I520-W584 HydrophobicContact CG2-CZ2 4.15Å; Q580-W584 PolarHBondContact O-N 2.95Å; Q580-W584 VanDerWaalsContact O-N 3.12Å; L581-W584 PolarHBondContact O-N 3.45Å; W584-L587 HydrophobicContact CE3-CD1 3.9Å; W584-L587 HydrophobicContact CZ3-CD1 4.1Å; W584-L587 PolarHBondContact O-N 3.4Å; W584-L588 WeakPolarHBondContact O-CG 3.24Å; W584-L588 PolarHBondContact O-N 3.02Å; W584-C610 HydrophobicContact CH2-CB 4.44Å; W584-F612 AromaticContact CE3-CZ 3.98Å; W584-F612 HydrophobicContact CE3-CZ 3.98Å; W584-F612 HydrophobicContact CH2-CE2 4.48Å; W584-F612 HydrophobicContact CH2-CZ 4.47Å; W584-F612 AromaticContact CZ3-CE2 3.69Å; W584-F612 HydrophobicContact CZ3-CE2 3.69Å; W584-F612 AromaticContact CZ3-CZ 3.48Å; W584-F612 HydrophobicContact CZ3-CZ 3.48Å; W584-F612 VanDerWaalsContact CZ3-CZ 3.48Å
585	E	79.5	Confident	77.1	Confident	84 Å²	84	60.3 Å²	60.3	39%	0.393	31%	0.305	S	S	.	.	H	α-helix	trans	-59.2	-46.5	175.5	-173.9	-178.5	161.1	0	0	111.6	L581 K582 L587 L588 N589	L581-E585 PolarHBondContact O-N 3Å; K582-E585 WeakPolarHBondContact CD-OE2 3.46Å; K582-E585 VanDerWaalsContact CE-OE2 3.3Å; K582-E585 WeakPolarHBondContact CE-OE2 3.36Å; K582-E585 VanDerWaalsContact NZ-CD 3.28Å; K582-E585 IonicContact NZ-OE1 3.76Å; K582-E585 PolarHBondContact NZ-OE1 3.5Å; K582-E585 VanDerWaalsContact NZ-OE1 3.1Å; K582-E585 IonicContact NZ-OE2 3.81Å; K582-E585 PolarHBondContact NZ-OE2 3.02Å; K582-E585 PolarHBondContact O-N 2.97Å; E585-L587 PolarHBondContact O-N 3.46Å; E585-L588 PolarHBondContact O-N 2.97Å; E585-N589 PolarHBondContact O-N 2.67Å; E585-N589 PolarHBondContact O-ND2 2.96Å
586	L	84	Confident	76.4	Confident	31 Å²	31	63.2 Å²	63.2	16%	0.162	32%	0.32	C	S	.	.	H	α-helix	trans	-63.9	-41.4	179.7	-162.3	149.8	0	0	0	111.6	D546 L547 Y550 K582 L583 L588 N589 H590	D546-L586 HydrophobicContact CB-CD2 4.21Å; L547-L586 HydrophobicContact CD2-CD2 3.65Å; L547-L586 HydrophobicContact CG-CD2 3.64Å; Y550-L586 HydrophobicContact CD2-CD1 4.33Å; Y550-L586 HydrophobicContact CG-CD1 4.24Å; K582-L586 WeakPolarHBondContact O-CB 3.41Å; K582-L586 PolarHBondContact O-N 3.21Å; L583-L586 PolarHBondContact O-N 2.94Å; L586-L588 PolarHBondContact O-N 2.94Å; L586-N589 WeakPolarHBondContact O-CB 3.3Å; L586-N589 PolarHBondContact O-N 3.31Å; L586-H590 PolarHBondContact O-CD2 2.9Å; L586-H590 PolarHBondContact O-N 3.02Å
587	L	80.7	Confident	76	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-63.5	-40.3	175.2	-70.6	169	0	0	0	113.4	L516 I518 M530 L547 L583 W584 E585 N589 H590 C592	L516-L587 HydrophobicContact CD2-CD2 3.39Å; I518-L587 HydrophobicContact CD1-CD1 3.32Å; M530-L587 HydrophobicContact CE-CD1 4.15Å; M530-L587 HydrophobicContact CE-CD2 3.92Å; M530-L587 HydrophobicContact CE-CG 4.46Å; L547-L587 HydrophobicContact CD1-CD2 3.87Å; L547-L587 HydrophobicContact CD2-CD2 4.36Å; L583-L587 HydrophobicContact CG-CD1 4.32Å; L583-L587 VanDerWaalsContact O-CG 3.32Å; L583-L587 WeakPolarHBondContact O-CG 3.34Å; L583-L587 PolarHBondContact O-N 2.88Å; L583-L587 VanDerWaalsContact O-N 3.14Å; W584-L587 HydrophobicContact CE3-CD1 3.9Å; W584-L587 HydrophobicContact CZ3-CD1 4.1Å; W584-L587 PolarHBondContact O-N 3.4Å; E585-L587 PolarHBondContact O-N 3.46Å; L587-N589 VanDerWaalsContact C-N 3.32Å; L587-H590 PolarHBondContact O-N 2.99Å; L587-C592 VanDerWaalsContact O-CB 3.31Å; L587-C592 WeakPolarHBondContact O-CB 3.41Å; L587-C592 PolarHBondContact O-N 2.85Å
588	L	77	Confident	75.5	Confident	117 Å²	117	69.2 Å²	69.2	61%	0.613	33%	0.332	S	S	*	.	H	α-helix	trans	-65.4	-36.9	175.8	-71.1	170	0	0	0	111.4	W584 E585 L586 H590 N591	W584-L588 WeakPolarHBondContact O-CG 3.24Å; W584-L588 PolarHBondContact O-N 3.02Å; E585-L588 PolarHBondContact O-N 2.97Å; L586-L588 PolarHBondContact O-N 2.94Å; L588-H590 VanDerWaalsContact C-N 3.28Å; L588-H590 PolarHBondContact O-N 3.1Å; L588-N591 PolarHBondContact O-N 3.42Å
589	N	81.4	Confident	74.6	Confident	116 Å²	116	68.1 Å²	68.1	62%	0.62	33%	0.333	S	S	*	.	H	α-helix	trans	-63.1	-30.3	176	-67.4	-21.9	0	0	0	113	E585 L586 L587 N591	E585-N589 PolarHBondContact O-N 2.67Å; E585-N589 PolarHBondContact O-ND2 2.96Å; L586-N589 WeakPolarHBondContact O-CB 3.3Å; L586-N589 PolarHBondContact O-N 3.31Å; L587-N589 VanDerWaalsContact C-N 3.32Å; N589-N591 PolarHBondContact O-N 3.08Å
590	H	77.9	Confident	73.6	Confident	35 Å²	35	70.4 Å²	70.4	16%	0.162	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	14.9	172.7	-67.3	-71.8	0	0	0	114.5	C543 D546 L586 L587 L588 C592	C543-H590 HydrophobicContact CB-CB 3.94Å; C543-H590 VanDerWaalsContact SG-CD2 3.56Å; D546-H590 IonicContact OD2-CE1 3.61Å; D546-H590 PolarHBondContact OD2-CE1 2.69Å; D546-H590 IonicContact OD2-NE2 2.79Å; D546-H590 PolarHBondContact OD2-NE2 3Å; L586-H590 PolarHBondContact O-CD2 2.9Å; L586-H590 PolarHBondContact O-N 3.02Å; L587-H590 PolarHBondContact O-N 2.99Å; L588-H590 VanDerWaalsContact C-N 3.28Å; L588-H590 PolarHBondContact O-N 3.1Å; H590-C592 PolarHBondContact O-N 2.85Å
591	N	72	Confident	72.3	Confident	95 Å²	95	77.5 Å²	77.5	51%	0.508	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	27.1	-177.5	-63.2	-64.1	0	0	0	114.2	L588 N589 E593 S614	L588-N591 PolarHBondContact O-N 3.42Å; N589-N591 PolarHBondContact O-N 3.08Å; N591-E593 PolarHBondContact O-N 3.01Å; N591-S614 WeakPolarHBondContact O-CA 3.31Å; N591-S614 WeakPolarHBondContact O-CB 3.27Å
592	C	70	Confident	71.3	Confident	3 Å²	3	76.4 Å²	76.4	2%	0.02	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	112.3	173.5	-65.2	0	0	0	0	110.2	L587 H590 F612	L587-C592 VanDerWaalsContact O-CB 3.31Å; L587-C592 WeakPolarHBondContact O-CB 3.41Å; L587-C592 PolarHBondContact O-N 2.85Å; H590-C592 PolarHBondContact O-N 2.85Å; C592-F612 HydrophobicContact CB-CB 4.16Å; C592-F612 HydrophobicContact CB-CD1 4Å; C592-F612 HydrophobicContact CB-CG 4.41Å
593	E	67.8	Low	69.6	Low	95 Å²	95	77.6 Å²	77.6	44%	0.444	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	124.8	176.4	-178.9	159.4	-119.8	0	0	111	N591 T595 F612 R613 K615	N591-E593 PolarHBondContact O-N 3.01Å; E593-T595 PolarHBondContact O-N 2.88Å; E593-T595 PolarHBondContact O-OG1 3.13Å; E593-F612 VanDerWaalsContact O-CA 3.27Å; E593-F612 WeakPolarHBondContact O-CA 3.27Å; E593-R613 WeakPolarHBondContact CA-O 3.28Å; E593-R613 WeakPolarHBondContact CB-O 3.5Å; E593-R613 PolarHBondContact N-O 3.4Å; E593-R613 PolarHBondContact O-N 3.13Å; E593-K615 WeakPolarHBondContact OE1-CE 3.35Å; E593-K615 IonicContact OE1-NZ 3.19Å; E593-K615 PolarHBondContact OE1-NZ 3.27Å; E593-K615 WeakPolarHBondContact OE2-CE 3.3Å; E593-K615 IonicContact OE2-NZ 3.5Å
594	L	68.8	Low	68.1	Low	75 Å²	75	81.4 Å²	81.4	39%	0.393	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	103.9	172.9	179.2	63.4	0	0	0	109.1	I596 Q597 C610 F612	L594-I596 WeakPolarHBondContact CD1-O 3.3Å; L594-Q597 HydrophobicContact CD1-CB 4.42Å; L594-Q597 HydrophobicContact CD2-CB 4.31Å; L594-C610 HydrophobicContact CD1-CB 3.65Å; L594-F612 HydrophobicContact CB-CD1 4.06Å; L594-F612 HydrophobicContact CB-CE1 3.69Å; L594-F612 HydrophobicContact CB-CZ 4.21Å; L594-F612 HydrophobicContact CD1-CD1 4.49Å; L594-F612 HydrophobicContact CD1-CD2 4.38Å; L594-F612 HydrophobicContact CD1-CE1 4.06Å; L594-F612 HydrophobicContact CD1-CE2 3.94Å; L594-F612 HydrophobicContact CD1-CZ 3.76Å; L594-F612 HydrophobicContact CG-CE1 4.44Å; L594-F612 HydrophobicContact CG-CZ 4.5Å
595	T	65.6	Low	66.9	Low	70 Å²	70	84.2 Å²	84.2	43%	0.429	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-40.1	-178.4	-45.7	0	0	0	0	111.3	E593 L611 R613	E593-T595 PolarHBondContact O-N 2.88Å; E593-T595 PolarHBondContact O-OG1 3.13Å; T595-L611 PolarHBondContact N-O 3.48Å; T595-R613 WeakPolarHBondContact OG1-CB 3.31Å
596	I	66.2	Low	66.1	Low	61 Å²	61	83.5 Å²	83.5	31%	0.313	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	138.8	-178.1	-45.3	178.6	0	0	0	110	L594 Y598 C610 L611	L594-I596 WeakPolarHBondContact CD1-O 3.3Å; I596-Y598 HydrophobicContact CG2-CD2 3.82Å; I596-Y598 HydrophobicContact CG2-CE1 4.18Å; I596-Y598 HydrophobicContact CG2-CE2 3.32Å; I596-Y598 HydrophobicContact CG2-CG 4.45Å; I596-C610 CarbonylContact O-C 3.6Å; I596-C610 WeakPolarHBondContact O-CA 3.43Å; I596-L611 HydrophobicContact CB-CB 4.07Å; I596-L611 HydrophobicContact CD1-CD2 3.75Å; I596-L611 HydrophobicContact CG1-CB 4.42Å; I596-L611 HydrophobicContact CG1-CD2 4.07Å; I596-L611 PolarHBondContact N-O 3.28Å; I596-L611 PolarHBondContact O-N 3.02Å
597	Q	67.7	Low	65.1	Low	103 Å²	103	82 Å²	82	48%	0.481	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	121.9	169.1	-175.6	178.1	13.4	0	0	110.4	L594 I609	L594-Q597 HydrophobicContact CD1-CB 4.42Å; L594-Q597 HydrophobicContact CD2-CB 4.31Å; Q597-I609 CarbonylContact C-O 3.51Å; Q597-I609 WeakPolarHBondContact CA-O 3.32Å
598	Y	63.9	Low	64.4	Low	140 Å²	140	83.1 Å²	83.1	55%	0.549	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	148.5	170.5	-66	-61.3	0	0	0	110.8	I596 N608 I609	I596-Y598 HydrophobicContact CG2-CD2 3.82Å; I596-Y598 HydrophobicContact CG2-CE1 4.18Å; I596-Y598 HydrophobicContact CG2-CE2 3.32Å; I596-Y598 HydrophobicContact CG2-CG 4.45Å; Y598-N608 CarbonylContact O-C 3.41Å; Y598-N608 WeakPolarHBondContact O-CA 3.48Å; Y598-I609 PolarHBondContact N-O 3.31Å; Y598-I609 PolarHBondContact O-N 3.31Å
599	Q	58.8	Low	64.2	Low	134 Å²	134	78.8 Å²	78.8	63%	0.626	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	117.7	167.7	-57	-171.2	3.7	0	0	107.7
600	I	58.7	Low	63.7	Low	68 Å²	68	73.4 Å²	73.4	35%	0.349	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	127.9	-179.6	-56.4	-163.3	0	0	0	109	K602 C607 I609	I600-K602 HydrophobicContact CG2-CG 4.2Å; I600-K602 PolarHBondContact O-N 3.35Å; I600-C607 PolarHBondContact N-O 2.9Å; I600-C607 PolarHBondContact O-N 3.05Å; I600-I609 HydrophobicContact CD1-CD1 3.53Å; I600-I609 HydrophobicContact CD1-CG1 4.1Å; I600-I609 HydrophobicContact CG1-CD1 4.25Å; I600-I609 HydrophobicContact CG1-CG1 4.3Å
601	K	51.1	Low	63.5	Low	172 Å²	172	73.2 Å²	73.2	75%	0.748	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	99.5	162	-59.3	-158.5	173.3	-175.5	0	108	R605 N606	K601-R605 CarbonylContact C-O 3.54Å; K601-N606 WeakPolarHBondContact CE-OD1 3.46Å; K601-N606 WeakPolarHBondContact CG-OD1 3.24Å
602	K	58.8	Low	63.3	Low	88 Å²	88	69.2 Å²	69.2	38%	0.383	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	161.9	159.1	-71	-171.2	174.3	-177.9	0	108	E519 I600 D604 R605	E519-K602 WeakPolarHBondContact OE1-CE 3.38Å; E519-K602 IonicContact OE1-NZ 3.45Å; E519-K602 PolarHBondContact OE1-NZ 2.75Å; E519-K602 IonicContact OE2-NZ 2.9Å; E519-K602 PolarHBondContact OE2-NZ 2.83Å; I600-K602 HydrophobicContact CG2-CG 4.2Å; I600-K602 PolarHBondContact O-N 3.35Å; K602-D604 PolarHBondContact O-N 3.22Å; K602-R605 PolarHBondContact N-O 3.43Å; K602-R605 PolarHBondContact O-N 2.76Å; K602-R605 VanDerWaalsContact O-O 3.11Å
603	A	46.1	Very low	63.1	Low	83 Å²	83	74 Å²	74	69%	0.686	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.5	-40.5	-165.6	0	0	0	0	0	114.4
604	D	51.8	Low	62.9	Low	81 Å²	81	70.5 Å²	70.5	43%	0.433	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	9.6	-178.3	-43.8	-71.9	0	0	0	113.2	P395 N396 K602	P395-D604 WeakPolarHBondContact CD-OD1 3.31Å; N396-D604 PolarHBondContact ND2-OD1 2.98Å; K602-D604 PolarHBondContact O-N 3.22Å
605	R	57.6	Low	62.4	Low	116 Å²	116	74.8 Å²	74.8	44%	0.438	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	136.8	-170.3	-59.2	-171.8	-175.5	-163.5	2.6	114.4	D521 K601 K602	D521-R605 WeakPolarHBondContact OD1-CD 3.07Å; D521-R605 WeakPolarHBondContact OD2-CD 3.41Å; D521-R605 IonicContact OD2-CZ 2.69Å; D521-R605 IonicContact OD2-NE 2.92Å; D521-R605 IonicContact OD2-NH1 3.1Å; D521-R605 PolarHBondContact OD2-NH1 3.42Å; K601-R605 CarbonylContact C-O 3.54Å; K602-R605 PolarHBondContact N-O 3.43Å; K602-R605 PolarHBondContact O-N 2.76Å; K602-R605 VanDerWaalsContact O-O 3.11Å
606	N	61.4	Low	62.2	Low	69 Å²	69	75 Å²	75	37%	0.369	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	104.1	166.1	-66	-54.9	0	0	0	109.1	K522 K601	K522-N606 HydrophobicContact CB-CB 4.34Å; K522-N606 WeakPolarHBondContact CB-O 3.41Å; K522-N606 HydrophobicContact CD-CB 4.09Å; K522-N606 HydrophobicContact CG-CB 4.35Å; K522-N606 WeakPolarHBondContact CG-O 3.42Å; K522-N606 PolarHBondContact N-O 3.31Å; K601-N606 WeakPolarHBondContact CE-OD1 3.46Å; K601-N606 WeakPolarHBondContact CG-OD1 3.24Å
607	C	63.6	Low	62	Low	1 Å²	1	75.7 Å²	75.7	1%	0.007	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	142.8	179.3	-43.4	0	0	0	0	110	E519 I520 D521 I600	E519-C607 HydrophobicContact CG-CB 4.13Å; I520-C607 CarbonylContact O-C 3.43Å; I520-C607 WeakPolarHBondContact O-CA 3.48Å; D521-C607 PolarHBondContact OD1-SG 3.11Å; I600-C607 PolarHBondContact N-O 2.9Å; I600-C607 PolarHBondContact O-N 3.05Å
608	N	66.8	Low	61.7	Low	23 Å²	23	74.2 Å²	74.2	12%	0.123	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	131.9	160.5	-66.7	-28	0	0	0	108.1	E519 I520 K522 Y598	E519-N608 WeakPolarHBondContact CA-O 3.32Å; I520-N608 HydrophobicContact CG2-CB 4.06Å; I520-N608 PolarHBondContact N-O 3.26Å; I520-N608 PolarHBondContact O-N 3.05Å; K522-N608 WeakPolarHBondContact CE-OD1 3.24Å; Y598-N608 CarbonylContact O-C 3.41Å; Y598-N608 WeakPolarHBondContact O-CA 3.48Å
609	I	71.8	Confident	61.5	Low	27 Å²	27	70.4 Å²	70.4	14%	0.138	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	116.9	166.2	-61.4	-162.4	0	0	0	108.1	L517 I518 E519 Q597 Y598 I600	L517-I609 HydrophobicContact CD1-CG2 3.51Å; L517-I609 HydrophobicContact CG-CG2 4.1Å; I518-I609 CarbonylContact O-C 3.55Å; I518-I609 VanDerWaalsContact O-CA 3.29Å; I518-I609 WeakPolarHBondContact O-CA 3.41Å; E519-I609 HydrophobicContact CB-CG1 4.41Å; E519-I609 HydrophobicContact CG-CD1 4.38Å; E519-I609 HydrophobicContact CG-CG1 4.09Å; Q597-I609 CarbonylContact C-O 3.51Å; Q597-I609 WeakPolarHBondContact CA-O 3.32Å; Y598-I609 PolarHBondContact N-O 3.31Å; Y598-I609 PolarHBondContact O-N 3.31Å; I600-I609 HydrophobicContact CD1-CD1 3.53Å; I600-I609 HydrophobicContact CD1-CG1 4.1Å; I600-I609 HydrophobicContact CG1-CD1 4.25Å; I600-I609 HydrophobicContact CG1-CG1 4.3Å
610	C	72.3	Confident	61.7	Low	3 Å²	3	66.4 Å²	66.4	2%	0.02	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	130.3	179.3	-64.3	0	0	0	0	109.4	L517 I518 W584 L594 I596 F612	L517-C610 CarbonylContact C-O 3.59Å; L517-C610 WeakPolarHBondContact CA-O 3.06Å; I518-C610 HydrophobicContact CB-CB 4.31Å; I518-C610 PolarHBondContact N-O 3.23Å; I518-C610 PolarHBondContact O-N 3.33Å; W584-C610 HydrophobicContact CH2-CB 4.44Å; L594-C610 HydrophobicContact CD1-CB 3.65Å; I596-C610 CarbonylContact O-C 3.6Å; I596-C610 WeakPolarHBondContact O-CA 3.43Å; C610-F612 HydrophobicContact CB-CD2 4.17Å; C610-F612 HydrophobicContact CB-CE2 3.46Å; C610-F612 VanDerWaalsContact CB-CE2 3.46Å; C610-F612 HydrophobicContact CB-CZ 4.2Å
611	L	72.3	Confident	61.9	Low	31 Å²	31	66.3 Å²	66.3	16%	0.162	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.3	173.7	-173.8	72.2	0	0	0	108.9	F515 L516 L517 T595 I596	F515-L611 HydrophobicContact CB-CD1 3.99Å; F515-L611 HydrophobicContact CD1-CD1 3.93Å; F515-L611 HydrophobicContact CD1-CD2 3.97Å; F515-L611 HydrophobicContact CD1-CG 4.04Å; F515-L611 HydrophobicContact CE1-CD2 4.31Å; F515-L611 HydrophobicContact CG-CD1 4.36Å; L516-L611 WeakPolarHBondContact O-CA 3.27Å; L517-L611 HydrophobicContact CD1-CB 4.5Å; L517-L611 HydrophobicContact CD1-CD1 3.95Å; T595-L611 PolarHBondContact N-O 3.48Å; I596-L611 HydrophobicContact CB-CB 4.07Å; I596-L611 HydrophobicContact CD1-CD2 3.75Å; I596-L611 HydrophobicContact CG1-CB 4.42Å; I596-L611 HydrophobicContact CG1-CD2 4.07Å; I596-L611 PolarHBondContact N-O 3.28Å; I596-L611 PolarHBondContact O-N 3.02Å
612	F	67.8	Low	62.7	Low	10 Å²	10	58.7 Å²	58.7	4%	0.044	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	150.5	177.9	-65.6	-99.1	0	0	0	112.3	F515 L516 I518 W584 C592 E593 L594 C610	F515-F612 WeakPolarHBondContact CA-O 3.25Å; L516-F612 HydrophobicContact CB-CB 4.15Å; L516-F612 HydrophobicContact CD2-CB 4.46Å; L516-F612 PolarHBondContact N-O 3.03Å; L516-F612 PolarHBondContact O-N 3.43Å; I518-F612 HydrophobicContact CD1-CD2 3.95Å; I518-F612 HydrophobicContact CD1-CE2 3.66Å; I518-F612 HydrophobicContact CG1-CD2 3.99Å; I518-F612 HydrophobicContact CG1-CE2 3.93Å; W584-F612 AromaticContact CE3-CZ 3.98Å; W584-F612 HydrophobicContact CE3-CZ 3.98Å; W584-F612 HydrophobicContact CH2-CE2 4.48Å; W584-F612 HydrophobicContact CH2-CZ 4.47Å; W584-F612 AromaticContact CZ3-CE2 3.69Å; W584-F612 HydrophobicContact CZ3-CE2 3.69Å; W584-F612 AromaticContact CZ3-CZ 3.48Å; W584-F612 HydrophobicContact CZ3-CZ 3.48Å; W584-F612 VanDerWaalsContact CZ3-CZ 3.48Å; C592-F612 HydrophobicContact CB-CB 4.16Å; C592-F612 HydrophobicContact CB-CD1 4Å; C592-F612 HydrophobicContact CB-CG 4.41Å; E593-F612 VanDerWaalsContact O-CA 3.27Å; E593-F612 WeakPolarHBondContact O-CA 3.27Å; L594-F612 HydrophobicContact CB-CD1 4.06Å; L594-F612 HydrophobicContact CB-CE1 3.69Å; L594-F612 HydrophobicContact CB-CZ 4.21Å; L594-F612 HydrophobicContact CD1-CD1 4.49Å; L594-F612 HydrophobicContact CD1-CD2 4.38Å; L594-F612 HydrophobicContact CD1-CE1 4.06Å; L594-F612 HydrophobicContact CD1-CE2 3.94Å; L594-F612 HydrophobicContact CD1-CZ 3.76Å; L594-F612 HydrophobicContact CG-CE1 4.44Å; L594-F612 HydrophobicContact CG-CZ 4.5Å; C610-F612 HydrophobicContact CB-CD2 4.17Å; C610-F612 HydrophobicContact CB-CE2 3.46Å; C610-F612 VanDerWaalsContact CB-CE2 3.46Å; C610-F612 HydrophobicContact CB-CZ 4.2Å
613	R	67.1	Low	63	Low	105 Å²	105	56.5 Å²	56.5	40%	0.396	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	141.7	176.8	178.4	-167.4	170.6	-175	-0.3	107.7	C513 E593 T595	C513-R613 VanDerWaalsContact SG-CZ 3.55Å; C513-R613 PolarHBondContact SG-NE 3.27Å; C513-R613 PolarHBondContact SG-NH2 3.25Å; E593-R613 WeakPolarHBondContact CA-O 3.28Å; E593-R613 WeakPolarHBondContact CB-O 3.5Å; E593-R613 PolarHBondContact N-O 3.4Å; E593-R613 PolarHBondContact O-N 3.13Å; T595-R613 WeakPolarHBondContact OG1-CB 3.31Å
614	S	63.1	Low	64.4	Low	20 Å²	20	54.3 Å²	54.3	14%	0.14	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	155	168.7	95.3	0	0	0	0	112.4	F514 N591	F514-S614 WeakPolarHBondContact CE1-OG 3.35Å; N591-S614 WeakPolarHBondContact O-CA 3.31Å; N591-S614 WeakPolarHBondContact O-CB 3.27Å
615	K	57	Low	65.5	Low	165 Å²	165	51.8 Å²	51.8	72%	0.717	23%	0.232	S	C	*	.			trans	-66.1	0	151.3	-59	178	179.6	179.4	0	108.4	R539 E593	R539-K615 PolarHBondContact NH1-OXT 2.78Å; E593-K615 WeakPolarHBondContact OE1-CE 3.35Å; E593-K615 IonicContact OE1-NZ 3.19Å; E593-K615 PolarHBondContact OE1-NZ 3.27Å; E593-K615 WeakPolarHBondContact OE2-CE 3.3Å; E593-K615 IonicContact OE2-NZ 3.5Å

Retrieved 615 of 615 residues in 786.8 ms (Link to these results)

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