A0A061IJW6_CRIGR Loading...

Serine/threonine-protein kinase PLK

AlphaFold DB , UniProt , Accession A0A061IJW6, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Plk2, Length 682 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	32.1	Very low	26.4	Very low	243 Å²	243	175.2 Å²	175.2	100%	1.197	86%	0.864	S	S	*	*				0	141.5	0	-78.6	-131.4	-112.6	0	0	107.6
2	E	30	Very low	26.3	Very low	189 Å²	189	169.1 Å²	169.1	88%	0.883	86%	0.862	S	S	*	*			trans	64.4	93.5	-176.1	-66.4	-171.2	145.1	0	0	117.6
3	L	22.2	Very low	26.3	Very low	165 Å²	165	164 Å²	164	86%	0.864	86%	0.861	S	S	*	*			trans	-159.4	128.5	147	-109.5	133.9	0	0	0	110.4
4	L	24.9	Very low	26.1	Very low	162 Å²	162	157.3 Å²	157.3	85%	0.848	85%	0.851	S	S	*	*			trans	90.2	61.5	161.8	-53.8	165.8	0	0	0	118.2
5	R	24.7	Very low	26.1	Very low	242 Å²	242	156.9 Å²	156.9	91%	0.913	86%	0.857	S	S	*	*			trans	-84.7	142.7	136	-82.4	-178.5	174.3	173.5	-1.5	109.2
6	T	28.5	Very low	26	Very low	111 Å²	111	159.6 Å²	159.6	68%	0.681	86%	0.857	S	S	*	*			trans	128.1	102.6	140.9	-40.9	0	0	0	0	114.6	T8	T6-T8 HydrophobicContact CG2-CG2 3.78Å
7	I	24.1	Very low	25.8	Very low	176 Å²	176	160.9 Å²	160.9	90%	0.903	86%	0.86	S	S	*	*			trans	-120.1	114.3	130.1	-64.9	178.9	0	0	0	105.3
8	T	27.3	Very low	25.6	Very low	123 Å²	123	157.8 Å²	157.8	76%	0.755	85%	0.851	S	S	*	*			trans	-80.5	142.4	180	22.3	0	0	0	0	111.7	T6	T6-T8 HydrophobicContact CG2-CG2 3.78Å
9	Y	25.2	Very low	25.6	Very low	215 Å²	215	157.1 Å²	157.1	84%	0.843	84%	0.842	S	S	*	*			trans	-104.7	130.2	171.3	-159.9	-94.6	0	0	0	107.3
10	Q	23.2	Very low	25.6	Very low	186 Å²	186	157.1 Å²	157.1	87%	0.869	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-88.8	131	167.3	-88.2	-177.2	-36.7	0	0	109.1
11	P	28.5	Very low	25.6	Very low	115 Å²	115	153.8 Å²	153.8	75%	0.747	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-92.3	146.2	169.6	30	-21.3	0	0	0	112
12	A	25.2	Very low	25.4	Very low	102 Å²	102	151 Å²	151	84%	0.843	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-72.8	153.3	174.5	0	0	0	0	0	112.2
13	A	26.3	Very low	25.2	Very low	103 Å²	103	145.3 Å²	145.3	85%	0.851	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-74.3	135.2	-172.7	0	0	0	0	0	114.7
14	G	24	Very low	25.5	Very low	70 Å²	70	148 Å²	148	72%	0.722	82%	0.817	S	S	*	*				76.6	108.1	123	0	0	0	0	0	120.2
15	T	25.3	Very low	25.7	Very low	152 Å²	152	144.5 Å²	144.5	93%	0.933	81%	0.812	S	S	*	*				-149.8	134.8	128.8	-34.1	0	0	0	0	110.1
16	K	24.2	Very low	25.8	Very low	199 Å²	199	139.3 Å²	139.3	87%	0.865	81%	0.811	S	S	*	*			trans	-62.4	146.8	-173.4	-67.8	170.4	171.4	177.3	0	113.3
17	M	23.8	Very low	25.8	Very low	182 Å²	182	138.1 Å²	138.1	90%	0.897	82%	0.821	S	S	*	*				-148.9	143.7	127.7	-91.6	-144.5	69.6	0	0	111.5
18	C	22	Very low	26	Very low	105 Å²	105	133.4 Å²	133.4	71%	0.709	82%	0.816	S	S	*	*			trans	-86	147.3	-172.1	-162.6	0	0	0	0	109.9
19	E	25.3	Very low	26	Very low	144 Å²	144	134.8 Å²	134.8	67%	0.673	82%	0.819	S	S	*	*				158	133.3	116.8	-87.3	-167.4	125.2	0	0	114.5
20	Q	25.6	Very low	26.2	Very low	157 Å²	157	129.1 Å²	129.1	73%	0.734	81%	0.81	S	S	*	*			trans	64.3	107.2	142.6	-62.5	176.1	19.2	0	0	118.4
21	A	24.9	Very low	26.6	Very low	89 Å²	89	130.5 Å²	130.5	74%	0.736	81%	0.813	S	S	*	*				93.8	149.4	66.7	0	0	0	0	0	113
22	L	27.8	Very low	26.7	Very low	183 Å²	183	134.5 Å²	134.5	96%	0.958	82%	0.819	S	S	*	*			trans	87.7	109.5	-173.4	-55	156	0	0	0	112.7
23	G	25.7	Very low	27	Very low	70 Å²	70	139.8 Å²	139.8	72%	0.722	82%	0.823	S	S	*	*			cis	124.4	110.1	17.6	0	0	0	0	0	108.8
24	K	29.4	Very low	27	Very low	221 Å²	221	146 Å²	146	96%	0.961	83%	0.825	S	S	*	*			trans	176.1	142.6	132.7	-97.6	173.1	-177.8	-178.7	0	112.2
25	A	28.1	Very low	28.1	Very low	89 Å²	89	147.4 Å²	147.4	74%	0.736	82%	0.821	S	S	*	*			trans	-79.2	162.2	-167	0	0	0	0	0	114.4
26	C	28.2	Very low	28.2	Very low	133 Å²	133	149 Å²	149	90%	0.899	82%	0.818	S	S	*	*				176.7	133.3	100.8	-95.5	0	0	0	0	114.1
27	G	27.6	Very low	28.4	Very low	87 Å²	87	148.4 Å²	148.4	90%	0.897	82%	0.818	S	S	*	*			trans	81	129.1	149.1	0	0	0	0	0	117.4
28	G	27.9	Very low	29.4	Very low	76 Å²	76	144.8 Å²	144.8	78%	0.784	81%	0.808	S	S	*	*			cis	169.3	153.3	5.6	0	0	0	0	0	109.9
29	D	28.9	Very low	29.7	Very low	152 Å²	152	144.2 Å²	144.2	81%	0.813	81%	0.805	S	S	*	*			trans	82	96.3	158.6	-83	-34.4	0	0	0	124.4
30	S	28.8	Very low	29.9	Very low	96 Å²	96	145.3 Å²	145.3	67%	0.671	81%	0.81	S	S	*	*				61.5	112.4	106.3	-57.8	0	0	0	0	120.9
31	K	31.6	Very low	30.1	Very low	215 Å²	215	145.1 Å²	145.1	94%	0.935	82%	0.815	S	S	*	*				-170.6	143.6	107.5	-100.3	169.3	-173	176.8	0	114.1
32	K	30.8	Very low	30.2	Very low	200 Å²	200	144.7 Å²	144.7	87%	0.87	82%	0.819	S	S	*	*			trans	-70.5	148.5	-171	-65.9	164.5	170	173.4	0	114.5
33	K	30.7	Very low	30.2	Very low	213 Å²	213	144.6 Å²	144.6	93%	0.926	81%	0.813	S	S	*	*				-178.6	137.5	109	-98.3	177.3	178.4	-177.2	0	112.1
34	R	26.1	Very low	30.9	Very low	234 Å²	234	147.6 Å²	147.6	88%	0.883	82%	0.82	S	S	*	*			trans	-119	-176	171.5	-114	-169.3	-179.2	-175.5	0.2	105.8
35	P	47.6	Very low	30.8	Very low	98 Å²	98	145.8 Å²	145.8	64%	0.636	82%	0.815	S	S	*	*			cis	-135.5	177.4	-37.9	31.4	-11.4	0	0	0	112
36	Q	27.8	Very low	30.8	Very low	187 Å²	187	146.7 Å²	146.7	87%	0.874	82%	0.822	S	S	*	*				166.7	135.3	120.1	-89.1	171.8	2.5	0	0	113.2
37	Q	27.2	Very low	30.8	Very low	186 Å²	186	149.5 Å²	149.5	87%	0.869	82%	0.823	S	S	*	*			trans	-80	-168	169.4	-79	177.3	-45.8	0	0	110.5
38	P	45.1	Very low	30.8	Very low	106 Å²	106	152.3 Å²	152.3	69%	0.688	82%	0.822	S	S	*	*			cis	-143.4	-177.4	4.9	29.4	-3.9	0	0	0	118.8
39	S	28.2	Very low	30.8	Very low	93 Å²	93	154.7 Å²	154.7	65%	0.65	82%	0.822	S	S	*	*			trans	71.9	147.2	138.5	54.4	0	0	0	0	121
40	E	30.1	Very low	31.3	Very low	166 Å²	166	153.4 Å²	153.4	78%	0.776	82%	0.821	S	S	*	*			cis	-169	153	-1.8	-113.1	169.6	-176.2	0	0	108.6
41	D	29.2	Very low	31.2	Very low	154 Å²	154	153.7 Å²	153.7	82%	0.824	83%	0.83	S	S	*	*			trans	52.3	138.7	141.5	-63.8	-18.7	0	0	0	125.9
42	G	27.3	Very low	31.1	Very low	80 Å²	80	147.6 Å²	147.6	83%	0.825	82%	0.819	S	S	*	*			trans	149.4	86.3	146.5	0	0	0	0	0	116.9
43	Q	27.2	Very low	31.3	Very low	180 Å²	180	144.1 Å²	144.1	84%	0.841	82%	0.817	S	S	*	*			trans	-102.1	151.3	153.1	-90.8	-172.8	-11.5	0	0	108.6
44	P	41.1	Very low	31.3	Very low	133 Å²	133	142 Å²	142	86%	0.864	81%	0.81	S	S	*	*				-147	167.8	90.5	33.2	-12.3	0	0	0	116.5
45	Q	28.3	Very low	31.6	Very low	183 Å²	183	139.5 Å²	139.5	86%	0.855	81%	0.808	S	S	*	*			trans	-72.8	153.7	-178.7	-63.6	166.2	-32.4	0	0	114.5
46	A	28	Very low	30.8	Very low	108 Å²	108	143.3 Å²	143.3	89%	0.893	82%	0.817	S	S	*	*				-168.9	144.8	129.9	0	0	0	0	0	112.3
47	Q	26.6	Very low	30.9	Very low	193 Å²	193	142.1 Å²	142.1	90%	0.902	81%	0.811	S	S	*	*			trans	-80.9	145.8	-172.3	-62.5	162.7	-33.4	0	0	113.7
48	V	29	Very low	31.2	Very low	145 Å²	145	141.9 Å²	141.9	88%	0.879	81%	0.81	S	S	*	*			trans	-152.8	129.4	141.7	-176.5	0	0	0	0	109.4
49	T	27.5	Very low	30.6	Very low	127 Å²	127	144.3 Å²	144.3	78%	0.779	81%	0.812	S	S	*	*			trans	-101.1	160.4	162.7	39.2	0	0	0	0	107.8
50	P	39.7	Very low	30.7	Very low	124 Å²	124	144.5 Å²	144.5	81%	0.805	81%	0.813	S	S	*	*			cis	-154.3	-176.9	47.3	39.6	-15.7	0	0	0	118.8
51	A	25.3	Very low	31.1	Very low	103 Å²	103	145.7 Å²	145.7	85%	0.851	82%	0.818	S	S	*	*			trans	99.7	123.5	151	0	0	0	0	0	119.8
52	A	30.1	Very low	31.5	Very low	86 Å²	86	143.9 Å²	143.9	71%	0.711	82%	0.818	S	S	*	*			trans	-83.2	170.2	172.5	0	0	0	0	0	111.8
53	P	34.4	Very low	31.7	Very low	127 Å²	127	143.4 Å²	143.4	83%	0.825	81%	0.812	S	S	*	*				-141.9	164.6	85.3	32.7	-13.8	0	0	0	116.1
54	H	32.1	Very low	32.4	Very low	168 Å²	168	139.1 Å²	139.1	78%	0.778	80%	0.8	S	S	*	*			trans	-59.5	137	-179.1	-71.4	-88	0	0	0	115.4
55	H	32	Very low	32.7	Very low	183 Å²	183	140.5 Å²	140.5	85%	0.847	80%	0.795	S	S	*	*			trans	-134.3	119.3	150	-95.4	-65.8	0	0	0	110.9	H57	H55-H57 PolarHBondContact O-N 3.27Å
56	H	31.2	Very low	33.7	Very low	178 Å²	178	138.9 Å²	138.9	82%	0.824	79%	0.791	S	S	*	*			trans	-66.7	115.5	168.6	-83.3	-77.4	0	0	0	110.1
57	H	30.1	Very low	35.1	Very low	161 Å²	161	137 Å²	137	75%	0.745	77%	0.771	S	S	*	*			trans	-94.2	101.3	163.3	-92.1	-56.6	0	0	0	110.4	H55 H59	H55-H57 PolarHBondContact O-N 3.27Å; H57-H59 PolarHBondContact O-N 3.35Å
58	H	31.9	Very low	37.8	Very low	182 Å²	182	134.6 Å²	134.6	84%	0.843	75%	0.754	S	S	*	*			trans	-59.3	112.3	151.6	-95.4	-72.4	0	0	0	108.7
59	H	33.3	Very low	40.9	Very low	157 Å²	157	130.8 Å²	130.8	73%	0.727	73%	0.728	S	S	*	*			trans	-96.5	100.3	160.4	-90.3	-59.7	0	0	0	109.6	H57	H57-H59 PolarHBondContact O-N 3.35Å
60	S	31.3	Very low	44.2	Very low	97 Å²	97	125.4 Å²	125.4	68%	0.678	69%	0.694	S	S	*	*			trans	-63	124	159.1	48.6	0	0	0	0	110.6
61	H	36.8	Very low	46.9	Very low	190 Å²	190	122.8 Å²	122.8	88%	0.88	68%	0.676	S	S	*	*			trans	-114.4	95.4	160.6	-80.6	-37.4	0	0	0	109.4
62	S	37.8	Very low	50.3	Low	117 Å²	117	118 Å²	118	82%	0.818	64%	0.636	S	S	*	*			trans	-94.7	111.5	171.5	47.6	0	0	0	0	110.3
63	G	32.7	Very low	53.4	Low	69 Å²	69	118 Å²	118	71%	0.711	63%	0.628	S	S	*	*			trans	137.1	124.1	166	0	0	0	0	0	114.1
64	P	41.8	Very low	56.3	Low	91 Å²	91	117.9 Å²	117.9	59%	0.591	63%	0.625	S	S	*	*			cis	-112.6	107.6	5.1	30.7	-11.6	0	0	0	112.4	I66 S67	P64-I66 PolarHBondContact O-N 2.78Å; P64-S67 PolarHBondContact O-N 2.91Å; P64-S67 PolarHBondContact O-OG 3.29Å
65	E	46.2	Very low	59.3	Low	161 Å²	161	113.5 Å²	113.5	75%	0.752	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-61	-27.3	176.2	-110.6	172.6	161.3	0	0	113.3	S67 R68	E65-S67 PolarHBondContact O-N 3.19Å; E65-R68 PolarHBondContact O-N 2.83Å
66	I	49.1	Very low	62.3	Low	149 Å²	149	107.1 Å²	107.1	76%	0.764	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-70.3	-29.5	-178.3	-60.5	165.8	0	0	0	112.3	P64 R68 I69	P64-I66 PolarHBondContact O-N 2.78Å; I66-R68 PolarHBondContact O-N 3.42Å; I66-I69 PolarHBondContact O-N 3.4Å; I66-I69 VanDerWaalsContact O-N 3.15Å
67	S	59.2	Low	65.3	Low	68 Å²	68	102.8 Å²	102.8	48%	0.476	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-69.7	-3.4	179.5	71.8	0	0	0	0	114.7	P64 E65 R81	P64-S67 PolarHBondContact O-N 2.91Å; P64-S67 PolarHBondContact O-OG 3.29Å; E65-S67 PolarHBondContact O-N 3.19Å; S67-R81 PolarHBondContact O-NH2 3.15Å; S67-R81 VanDerWaalsContact O-NH2 3.07Å
68	R	82.8	Confident	68.5	Low	143 Å²	143	102.1 Å²	102.1	54%	0.54	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-102.2	-14.4	177.1	-63.8	-176	-178.1	171.5	1.1	112.8	E65 I66 R81	E65-R68 PolarHBondContact O-N 2.83Å; I66-R68 PolarHBondContact O-N 3.42Å; R68-R81 WeakPolarHBondContact O-CB 3.4Å; R68-R81 PolarHBondContact O-N 2.79Å
69	I	94.3	Very high	71.6	Confident	65 Å²	65	93.6 Å²	93.6	33%	0.333	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	121.5	-178.6	-51.7	-54.9	0	0	0	109.4	I66 V71 R78 Y79 C80 L99	I66-I69 PolarHBondContact O-N 3.4Å; I66-I69 VanDerWaalsContact O-N 3.15Å; I69-V71 HydrophobicContact CG2-CG2 4.46Å; I69-R78 HydrophobicContact CG2-CB 4.39Å; I69-Y79 CarbonylContact C-O 3.55Å; I69-Y79 WeakPolarHBondContact CA-O 3.34Å; I69-C80 HydrophobicContact CD1-CB 4.01Å; I69-L99 HydrophobicContact CD1-CD1 4.05Å
70	I	96	Very high	74.6	Confident	15 Å²	15	87.9 Å²	87.9	8%	0.077	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	133.7	176.3	-66	155.3	0	0	0	107.4	R78 Y79 R81 M96 I109 F146 Y153	I70-R78 WeakPolarHBondContact O-CA 3.29Å; I70-Y79 PolarHBondContact N-O 3.19Å; I70-Y79 PolarHBondContact O-N 2.93Å; I70-R81 HydrophobicContact CD1-CB 3.97Å; I70-R81 HydrophobicContact CD1-CG 4.5Å; I70-M96 HydrophobicContact CD1-CE 3.31Å; I70-M96 HydrophobicContact CD1-SD 3.86Å; I70-I109 HydrophobicContact CD1-CD1 4.38Å; I70-F146 HydrophobicContact CG2-CE2 3.76Å; I70-F146 HydrophobicContact CG2-CZ 3.72Å; I70-Y153 HydrophobicContact CD1-CD1 4.41Å; I70-Y153 HydrophobicContact CD1-CE1 3.67Å; I70-Y153 HydrophobicContact CG1-CE1 4.22Å; I70-Y153 HydrophobicContact CG2-CD1 4.28Å; I70-Y153 HydrophobicContact CG2-CE1 3.76Å; I70-Y153 HydrophobicContact CG2-CE2 4.08Å
71	V	96.1	Very high	77.7	Confident	69 Å²	69	86.9 Å²	86.9	42%	0.418	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.3	-179.8	-172.5	0	0	0	0	108.4	I69 P73 K77 R78	I69-V71 HydrophobicContact CG2-CG2 4.46Å; V71-P73 VanDerWaalsContact O-CD 3.29Å; V71-P73 WeakPolarHBondContact O-CD 3.45Å; V71-K77 WeakPolarHBondContact CA-O 3.48Å; V71-R78 HydrophobicContact CG2-CG 4.17Å
72	D	96.7	Very high	80.5	Confident	2 Å²	2	79.5 Å²	79.5	1%	0.011	46%	0.458	C	S	.	.			trans	-70.7	112	167.6	174.9	-10.3	0	0	0	107.9	T74 T75 G76 K77 Y79 H144 F146	D72-T74 PolarHBondContact O-N 2.6Å; D72-T74 WeakPolarHBondContact OD1-CB 3.34Å; D72-T74 PolarHBondContact OD1-N 2.87Å; D72-T75 WeakPolarHBondContact CB-OG1 3.36Å; D72-T75 PolarHBondContact O-N 2.9Å; D72-T75 PolarHBondContact OD1-N 3.08Å; D72-T75 WeakPolarHBondContact OD2-CG2 3.11Å; D72-T75 PolarHBondContact OD2-OG1 3.07Å; D72-G76 WeakPolarHBondContact O-CA 3.49Å; D72-G76 PolarHBondContact O-N 3.24Å; D72-K77 HydrophobicContact CB-CB 4.47Å; D72-K77 PolarHBondContact N-O 2.72Å; D72-Y79 HydrophobicContact CB-CE2 4.14Å; D72-H144 IonicContact OD2-CD2 3.94Å; D72-H144 IonicContact OD2-NE2 3.73Å; D72-H144 PolarHBondContact OD2-NE2 3.29Å; D72-H144 VanDerWaalsContact OD2-NE2 3.08Å; D72-F146 HydrophobicContact CB-CB 4.31Å; D72-F146 HydrophobicContact CB-CD1 4.09Å; D72-F146 HydrophobicContact CB-CD2 3.84Å; D72-F146 HydrophobicContact CB-CE1 4.32Å; D72-F146 HydrophobicContact CB-CE2 4.11Å; D72-F146 HydrophobicContact CB-CG 3.83Å; D72-F146 HydrophobicContact CB-CZ 4.34Å
73	P	96.2	Very high	83.1	Confident	86 Å²	86	79.5 Å²	79.5	56%	0.558	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-17.6	-174.4	29.1	-35.3	0	0	0	113	V71 E147	V71-P73 VanDerWaalsContact O-CD 3.29Å; V71-P73 WeakPolarHBondContact O-CD 3.45Å; P73-E147 WeakPolarHBondContact CD-O 3.35Å; P73-E147 WeakPolarHBondContact CG-O 3.42Å
74	T	94.9	Very high	86	Confident	124 Å²	124	79.8 Å²	79.8	76%	0.761	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-39.1	-178.7	-47.6	0	0	0	0	111.3	D72	D72-T74 PolarHBondContact O-N 2.6Å; D72-T74 WeakPolarHBondContact OD1-CB 3.34Å; D72-T74 PolarHBondContact OD1-N 2.87Å
75	T	94.7	Very high	88.3	Confident	77 Å²	77	78.9 Å²	78.9	47%	0.472	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-14.1	-172.9	65	0	0	0	0	113.8	D72 K77	D72-T75 WeakPolarHBondContact CB-OG1 3.36Å; D72-T75 PolarHBondContact O-N 2.9Å; D72-T75 PolarHBondContact OD1-N 3.08Å; D72-T75 WeakPolarHBondContact OD2-CG2 3.11Å; D72-T75 PolarHBondContact OD2-OG1 3.07Å; T75-K77 PolarHBondContact O-N 2.87Å; T75-K77 WeakPolarHBondContact OG1-CB 3.38Å; T75-K77 PolarHBondContact OG1-N 2.92Å
76	G	94.8	Very high	90.2	Very high	49 Å²	49	72.6 Å²	72.6	51%	0.505	40%	0.399	S	S	.	.			trans	71.5	2.3	-171.8	0	0	0	0	0	114.2	D72	D72-G76 WeakPolarHBondContact O-CA 3.49Å; D72-G76 PolarHBondContact O-N 3.24Å
77	K	95.5	Very high	91.9	Very high	87 Å²	87	73.1 Å²	73.1	38%	0.378	40%	0.396	S	S	.	.			trans	-63.4	140	177.6	-78.6	-171.1	175.3	-173.3	0	111.1	V71 D72 T75 Y79	V71-K77 WeakPolarHBondContact CA-O 3.48Å; D72-K77 HydrophobicContact CB-CB 4.47Å; D72-K77 PolarHBondContact N-O 2.72Å; T75-K77 PolarHBondContact O-N 2.87Å; T75-K77 WeakPolarHBondContact OG1-CB 3.38Å; T75-K77 PolarHBondContact OG1-N 2.92Å; K77-Y79 HydrophobicContact CB-CE2 3.87Å
78	R	96.5	Very high	92.5	Very high	146 Å²	146	72 Å²	72	55%	0.551	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.2	-177.9	-57.3	-172.6	-66.6	158.4	0.3	110.9	I69 I70 V71 L99	I69-R78 HydrophobicContact CG2-CB 4.39Å; I70-R78 WeakPolarHBondContact O-CA 3.29Å; V71-R78 HydrophobicContact CG2-CG 4.17Å; R78-L99 HydrophobicContact CB-CD1 4.08Å; R78-L99 WeakPolarHBondContact O-CB 3.24Å; R78-L99 PolarHBondContact O-N 3.41Å
79	Y	96.9	Very high	92.3	Very high	4 Å²	4	68.8 Å²	68.8	2%	0.016	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	142.8	179.9	-55.7	-89	0	0	0	110.4	I69 I70 D72 K77 M96 T97 D98 F146 L155	I69-Y79 CarbonylContact C-O 3.55Å; I69-Y79 WeakPolarHBondContact CA-O 3.34Å; I70-Y79 PolarHBondContact N-O 3.19Å; I70-Y79 PolarHBondContact O-N 2.93Å; D72-Y79 HydrophobicContact CB-CE2 4.14Å; K77-Y79 HydrophobicContact CB-CE2 3.87Å; Y79-M96 HydrophobicContact CD1-CG 4.18Å; Y79-M96 HydrophobicContact CG-CG 4.2Å; Y79-T97 CarbonylContact C-O 3.48Å; Y79-T97 VanDerWaalsContact CA-O 3.24Å; Y79-T97 WeakPolarHBondContact CA-O 3.19Å; Y79-D98 HydrophobicContact CD1-CB 3.87Å; Y79-D98 HydrophobicContact CE1-CB 3.84Å; Y79-F146 AromaticContact CD2-CE1 3.94Å; Y79-F146 HydrophobicContact CD2-CE1 3.94Å; Y79-F146 AromaticContact CD2-CZ 3.86Å; Y79-F146 HydrophobicContact CD2-CZ 3.86Å; Y79-F146 HydrophobicContact CE2-CD1 4.37Å; Y79-F146 AromaticContact CE2-CE1 3.54Å; Y79-F146 HydrophobicContact CE2-CE1 3.54Å; Y79-F146 AromaticContact CE2-CZ 3.87Å; Y79-F146 HydrophobicContact CE2-CZ 3.87Å; Y79-L155 HydrophobicContact CD1-CD2 3.91Å; Y79-L155 HydrophobicContact CE1-CD2 3.5Å
80	C	97.1	Very high	91.7	Very high	37 Å²	37	68.9 Å²	68.9	25%	0.25	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	117.7	172.4	-176.5	0	0	0	0	110.4	I69 G82 T97 L99	I69-C80 HydrophobicContact CD1-CB 4.01Å; C80-G82 PolarHBondContact O-N 2.51Å; C80-T97 PolarHBondContact N-O 2.82Å; C80-T97 PolarHBondContact O-N 3.39Å; C80-L99 HydrophobicContact CB-CD1 4.46Å; C80-L99 HydrophobicContact CB-CD2 3.85Å; C80-L99 HydrophobicContact CB-CG 4.32Å
81	R	96.8	Very high	91.4	Very high	76 Å²	76	68.6 Å²	68.6	29%	0.287	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	116.5	176.3	-172.5	177.3	62.5	-177.1	-6.8	110.5	S67 R68 I70 Y94 M96 I109	S67-R81 PolarHBondContact O-NH2 3.15Å; S67-R81 VanDerWaalsContact O-NH2 3.07Å; R68-R81 WeakPolarHBondContact O-CB 3.4Å; R68-R81 PolarHBondContact O-N 2.79Å; I70-R81 HydrophobicContact CD1-CB 3.97Å; I70-R81 HydrophobicContact CD1-CG 4.5Å; R81-Y94 HydrophobicContact CG-CD1 3.67Å; R81-Y94 HydrophobicContact CG-CE1 4.28Å; R81-Y94 HydrophobicContact CG-CG 3.9Å; R81-M96 HydrophobicContact CB-CE 4.31Å; R81-M96 HydrophobicContact CB-SD 4.03Å; R81-M96 HydrophobicContact CG-CE 4.39Å; R81-I109 HydrophobicContact CG-CD1 4.48Å
82	G	94.4	Very high	91.3	Very high	34 Å²	34	69.1 Å²	69.1	35%	0.351	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-146.3	176.3	0	0	0	0	0	113.5	C80 E95	C80-G82 PolarHBondContact O-N 2.51Å; G82-E95 PolarHBondContact N-O 2.79Å
83	K	92.8	Very high	91.2	Very high	118 Å²	118	70.5 Å²	70.5	51%	0.513	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	156.7	-173.6	82.3	-158	-173.9	-135.8	0	112.5	L85 Y94 E95	K83-L85 HydrophobicContact CG-CD2 4.49Å; K83-L85 PolarHBondContact O-N 3Å; K83-Y94 CarbonylContact O-C 3.49Å; K83-Y94 WeakPolarHBondContact O-CA 3.48Å; K83-E95 WeakPolarHBondContact CD-OE2 3.35Å; K83-E95 WeakPolarHBondContact CE-OE1 3.43Å; K83-E95 HydrophobicContact CG-CG 4.07Å; K83-E95 WeakPolarHBondContact CG-OE2 3.33Å; K83-E95 IonicContact NZ-OE1 2.68Å; K83-E95 PolarHBondContact NZ-OE1 2.82Å; K83-E95 IonicContact NZ-OE2 2.84Å; K83-E95 PolarHBondContact O-N 2.8Å
84	V	93.9	Very high	91.1	Very high	75 Å²	75	67.9 Å²	67.9	46%	0.455	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.3	174	-178.9	0	0	0	0	109.4	K92 Y94	V84-K92 HydrophobicContact CG1-CG 4.36Å; V84-Y94 HydrophobicContact CB-CE1 4.45Å; V84-Y94 HydrophobicContact CG2-CD1 3.9Å; V84-Y94 HydrophobicContact CG2-CE1 3.42Å; V84-Y94 VanDerWaalsContact CG2-CE1 3.42Å
85	L	90.1	Very high	91.2	Very high	71 Å²	71	63.3 Å²	63.3	37%	0.372	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-32.2	175.4	-62.4	178.4	0	0	0	112.2	K83 C93 E95 A106 Y158	K83-L85 HydrophobicContact CG-CD2 4.49Å; K83-L85 PolarHBondContact O-N 3Å; L85-C93 HydrophobicContact CB-CB 4.08Å; L85-C93 PolarHBondContact N-O 3.05Å; L85-E95 HydrophobicContact CD1-CG 4.12Å; L85-E95 HydrophobicContact CD2-CG 3.7Å; L85-E95 HydrophobicContact CG-CG 4.02Å; L85-A106 HydrophobicContact CD1-CB 3.85Å; L85-Y158 HydrophobicContact CD1-CD2 4.27Å; L85-Y158 HydrophobicContact CD1-CE2 4.15Å; L85-Y158 HydrophobicContact CD2-CE2 4.08Å
86	G	86.1	Confident	91.3	Very high	29 Å²	29	59.7 Å²	59.7	30%	0.299	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	174.4	177.7	-180	0	0	0	0	0	113.1	C93	G86-C93 PolarHBondContact N-O 3.15Å; G86-C93 PolarHBondContact O-N 3.01Å
87	K	85.1	Confident	91.4	Very high	160 Å²	160	59 Å²	59	70%	0.696	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.5	129.3	174	-176.9	-176.3	175.5	-173.1	0	108
88	G	71.3	Confident	91.5	Very high	46 Å²	46	55 Å²	55	47%	0.474	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	127.7	-177.1	0	0	0	0	0	111.4	F90 A91	G88-F90 PolarHBondContact O-N 3.14Å; G88-A91 PolarHBondContact N-O 3.42Å; G88-A91 VanDerWaalsContact N-O 3.07Å; G88-A91 PolarHBondContact O-N 2.82Å; G88-A91 VanDerWaalsContact O-O 3.09Å
89	G	77.6	Confident	91.5	Very high	74 Å²	74	51 Å²	51	76%	0.763	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	-120.7	-179.3	0	0	0	0	0	112.8
90	F	82.1	Confident	91.4	Very high	68 Å²	68	55.2 Å²	55.2	30%	0.298	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-23.4	178.7	-55.2	-73.7	0	0	0	113.3	G88 I110 R114 Q120 I124	G88-F90 PolarHBondContact O-N 3.14Å; F90-I110 HydrophobicContact CB-CG2 4.05Å; F90-R114 HydrophobicContact CD1-CB 4.29Å; F90-R114 WeakPolarHBondContact CD1-O 3.37Å; F90-R114 WeakPolarHBondContact O-CD 3.32Å; F90-R114 PolarHBondContact O-NH1 3.5Å; F90-Q120 HydrophobicContact CE1-CG 4.46Å; F90-Q120 HydrophobicContact CZ-CG 4.33Å; F90-I124 HydrophobicContact CD2-CD1 4.31Å
91	A	90	Very high	91.2	Very high	9 Å²	9	57.3 Å²	57.3	7%	0.074	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	156	-168.3	0	0	0	0	0	113.9	G88 K108 I109 I110	G88-A91 PolarHBondContact N-O 3.42Å; G88-A91 VanDerWaalsContact N-O 3.07Å; G88-A91 PolarHBondContact O-N 2.82Å; G88-A91 VanDerWaalsContact O-O 3.09Å; A91-K108 HydrophobicContact CB-CB 4.18Å; A91-K108 HydrophobicContact CB-CG 4.48Å; A91-I109 WeakPolarHBondContact CA-O 3.21Å; A91-I110 HydrophobicContact CB-CD1 4.29Å; A91-I110 HydrophobicContact CB-CG1 3.53Å
92	K	93.3	Very high	91.1	Very high	80 Å²	80	59.6 Å²	59.6	35%	0.348	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.6	159.8	-168.1	172.5	173.2	-167.8	0	108.7	V84 Y94 I109	V84-K92 HydrophobicContact CG1-CG 4.36Å; K92-Y94 HydrophobicContact CB-CE2 3.79Å; K92-Y94 HydrophobicContact CD-CE2 3.74Å; K92-Y94 VanDerWaalsContact CD-OH 3.24Å; K92-Y94 WeakPolarHBondContact CD-OH 3.36Å; K92-Y94 WeakPolarHBondContact CE-OH 3.21Å; K92-Y94 HydrophobicContact CG-CD2 4.29Å; K92-Y94 HydrophobicContact CG-CE2 3.51Å; K92-Y94 PolarHBondContact NZ-OH 2.97Å; K92-Y94 WeakPolarHBondContact O-CD2 3.2Å; K92-I109 PolarHBondContact N-O 3.46Å; K92-I109 PolarHBondContact O-N 3.18Å
93	C	94.6	Very high	91.1	Very high	31 Å²	31	62.3 Å²	62.3	21%	0.209	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	135.7	-174.5	-55.9	0	0	0	0	110.4	L85 G86 A107	L85-C93 HydrophobicContact CB-CB 4.08Å; L85-C93 PolarHBondContact N-O 3.05Å; G86-C93 PolarHBondContact N-O 3.15Å; G86-C93 PolarHBondContact O-N 3.01Å; C93-A107 CarbonylContact C-O 3.5Å; C93-A107 VanDerWaalsContact CA-O 3.24Å; C93-A107 WeakPolarHBondContact CA-O 3.45Å
94	Y	95.4	Very high	91.3	Very high	30 Å²	30	59.3 Å²	59.3	12%	0.118	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	156.2	-179.2	-68.9	-99	0	0	0	110.9	R81 K83 V84 K92 A107 I109	R81-Y94 HydrophobicContact CG-CD1 3.67Å; R81-Y94 HydrophobicContact CG-CE1 4.28Å; R81-Y94 HydrophobicContact CG-CG 3.9Å; K83-Y94 CarbonylContact O-C 3.49Å; K83-Y94 WeakPolarHBondContact O-CA 3.48Å; V84-Y94 HydrophobicContact CB-CE1 4.45Å; V84-Y94 HydrophobicContact CG2-CD1 3.9Å; V84-Y94 HydrophobicContact CG2-CE1 3.42Å; V84-Y94 VanDerWaalsContact CG2-CE1 3.42Å; K92-Y94 HydrophobicContact CB-CE2 3.79Å; K92-Y94 HydrophobicContact CD-CE2 3.74Å; K92-Y94 VanDerWaalsContact CD-OH 3.24Å; K92-Y94 WeakPolarHBondContact CD-OH 3.36Å; K92-Y94 WeakPolarHBondContact CE-OH 3.21Å; K92-Y94 HydrophobicContact CG-CD2 4.29Å; K92-Y94 HydrophobicContact CG-CE2 3.51Å; K92-Y94 PolarHBondContact NZ-OH 2.97Å; K92-Y94 WeakPolarHBondContact O-CD2 3.2Å; Y94-A107 PolarHBondContact N-O 2.84Å; Y94-A107 PolarHBondContact O-N 3.14Å; Y94-I109 HydrophobicContact CD2-CD1 3.53Å; Y94-I109 HydrophobicContact CD2-CG1 4Å; Y94-I109 HydrophobicContact CE2-CD1 3.99Å; Y94-I109 HydrophobicContact CG-CD1 4.15Å
95	E	96.1	Very high	91.5	Very high	28 Å²	28	56.6 Å²	56.6	13%	0.131	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	140.7	156.6	-66.3	179.4	167.1	0	0	109	G82 K83 L85 V104 Y105 Y158	G82-E95 PolarHBondContact N-O 2.79Å; K83-E95 WeakPolarHBondContact CD-OE2 3.35Å; K83-E95 WeakPolarHBondContact CE-OE1 3.43Å; K83-E95 HydrophobicContact CG-CG 4.07Å; K83-E95 WeakPolarHBondContact CG-OE2 3.33Å; K83-E95 IonicContact NZ-OE1 2.68Å; K83-E95 PolarHBondContact NZ-OE1 2.82Å; K83-E95 IonicContact NZ-OE2 2.84Å; K83-E95 PolarHBondContact O-N 2.8Å; L85-E95 HydrophobicContact CD1-CG 4.12Å; L85-E95 HydrophobicContact CD2-CG 3.7Å; L85-E95 HydrophobicContact CG-CG 4.02Å; E95-V104 HydrophobicContact CB-CG1 4.28Å; E95-Y105 CarbonylContact C-O 3.59Å; E95-Y105 WeakPolarHBondContact CA-O 3.42Å; E95-Y158 HydrophobicContact CG-CD2 4.36Å; E95-Y158 HydrophobicContact CG-CE2 3.68Å; E95-Y158 WeakPolarHBondContact OE1-CE2 3.5Å; E95-Y158 VanDerWaalsContact OE1-CZ 3.24Å; E95-Y158 PolarHBondContact OE1-OH 3.14Å
96	M	97.1	Very high	91.8	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	117.1	178.7	-166.2	70	78.9	0	0	108.9	I70 Y79 R81 Y105 A107 I109 Y153	I70-M96 HydrophobicContact CD1-CE 3.31Å; I70-M96 HydrophobicContact CD1-SD 3.86Å; Y79-M96 HydrophobicContact CD1-CG 4.18Å; Y79-M96 HydrophobicContact CG-CG 4.2Å; R81-M96 HydrophobicContact CB-CE 4.31Å; R81-M96 HydrophobicContact CB-SD 4.03Å; R81-M96 HydrophobicContact CG-CE 4.39Å; M96-Y105 PolarHBondContact N-O 2.58Å; M96-Y105 PolarHBondContact O-N 2.93Å; M96-A107 HydrophobicContact CB-CB 3.61Å; M96-A107 HydrophobicContact CE-CB 3.72Å; M96-A107 HydrophobicContact CG-CB 4.16Å; M96-I109 HydrophobicContact CE-CD1 3.92Å; M96-Y153 HydrophobicContact CE-CD1 4.33Å
97	T	97.6	Very high	92.4	Very high	35 Å²	35	52.7 Å²	52.7	22%	0.215	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.5	-179.6	-50.7	0	0	0	0	109.1	Y79 C80 L99 K103 V104	Y79-T97 CarbonylContact C-O 3.48Å; Y79-T97 VanDerWaalsContact CA-O 3.24Å; Y79-T97 WeakPolarHBondContact CA-O 3.19Å; C80-T97 PolarHBondContact N-O 2.82Å; C80-T97 PolarHBondContact O-N 3.39Å; T97-L99 PolarHBondContact O-N 2.82Å; T97-K103 WeakPolarHBondContact CA-O 3.35Å; T97-V104 HydrophobicContact CG2-CG2 4.39Å
98	D	96.8	Very high	92.9	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	119.4	170.6	176.9	-10.7	0	0	0	109	Y79 T100 N101 N102 K103 Y105	Y79-D98 HydrophobicContact CD1-CB 3.87Å; Y79-D98 HydrophobicContact CE1-CB 3.84Å; D98-T100 VanDerWaalsContact CG-OG1 3.26Å; D98-T100 PolarHBondContact O-N 2.98Å; D98-T100 WeakPolarHBondContact OD1-CB 3.32Å; D98-T100 PolarHBondContact OD1-N 2.83Å; D98-T100 PolarHBondContact OD1-OG1 2.9Å; D98-T100 PolarHBondContact OD2-OG1 2.81Å; D98-N101 WeakPolarHBondContact CB-OD1 3.18Å; D98-N101 PolarHBondContact OD2-ND2 3.38Å; D98-N102 WeakPolarHBondContact O-CA 3.25Å; D98-N102 PolarHBondContact O-N 2.89Å; D98-K103 PolarHBondContact N-O 2.92Å; D98-Y105 HydrophobicContact CB-CD2 4.38Å; D98-Y105 HydrophobicContact CB-CE2 3.69Å
99	L	95.9	Very high	94.1	Very high	61 Å²	61	44.6 Å²	44.6	32%	0.319	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-6.2	-174.6	-62.3	-178.8	0	0	0	113.4	I69 R78 C80 T97	I69-L99 HydrophobicContact CD1-CD1 4.05Å; R78-L99 HydrophobicContact CB-CD1 4.08Å; R78-L99 WeakPolarHBondContact O-CB 3.24Å; R78-L99 PolarHBondContact O-N 3.41Å; C80-L99 HydrophobicContact CB-CD1 4.46Å; C80-L99 HydrophobicContact CB-CD2 3.85Å; C80-L99 HydrophobicContact CB-CG 4.32Å; T97-L99 PolarHBondContact O-N 2.82Å
100	T	94.8	Very high	95	Very high	93 Å²	93	41.2 Å²	41.2	57%	0.571	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-34.9	176.4	65.8	0	0	0	0	112.4	D98	D98-T100 VanDerWaalsContact CG-OG1 3.26Å; D98-T100 PolarHBondContact O-N 2.98Å; D98-T100 WeakPolarHBondContact OD1-CB 3.32Å; D98-T100 PolarHBondContact OD1-N 2.83Å; D98-T100 PolarHBondContact OD1-OG1 2.9Å; D98-T100 PolarHBondContact OD2-OG1 2.81Å
101	N	93.6	Very high	95.6	Very high	80 Å²	80	39.6 Å²	39.6	43%	0.428	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	0	-175.8	58.5	37.3	0	0	0	113.8	D98 K103	D98-N101 WeakPolarHBondContact CB-OD1 3.18Å; D98-N101 PolarHBondContact OD2-ND2 3.38Å; N101-K103 PolarHBondContact O-N 2.75Å; N101-K103 VanDerWaalsContact O-N 3.14Å; N101-K103 WeakPolarHBondContact OD1-CB 3.49Å; N101-K103 PolarHBondContact OD1-N 2.77Å
102	N	93.9	Very high	95.9	Very high	124 Å²	124	41.6 Å²	41.6	66%	0.663	22%	0.22	S	C	*	.			trans	56.8	20.4	-176.9	-64.8	-47.7	0	0	0	115	D98	D98-N102 WeakPolarHBondContact O-CA 3.25Å; D98-N102 PolarHBondContact O-N 2.89Å
103	K	95.4	Very high	96	Very high	91 Å²	91	42.6 Å²	42.6	40%	0.396	24%	0.237	S	C	.	.			trans	-84.8	137.7	177.5	-171.3	167.7	170.2	-176.2	0	110.8	T97 D98 N101 Y105 Y143	T97-K103 WeakPolarHBondContact CA-O 3.35Å; D98-K103 PolarHBondContact N-O 2.92Å; N101-K103 PolarHBondContact O-N 2.75Å; N101-K103 VanDerWaalsContact O-N 3.14Å; N101-K103 WeakPolarHBondContact OD1-CB 3.49Å; N101-K103 PolarHBondContact OD1-N 2.77Å; K103-Y105 HydrophobicContact CB-CE2 4.01Å; K103-Y105 HydrophobicContact CD-CE1 4.15Å; K103-Y105 WeakPolarHBondContact CD-OH 3.43Å; K103-Y105 HydrophobicContact CG-CE1 4.25Å; K103-Y105 HydrophobicContact CG-CE2 4.18Å; K103-Y105 WeakPolarHBondContact O-CD2 3.42Å; K103-Y105 WeakPolarHBondContact O-CE2 3.4Å; K103-Y143 PolarHBondContact NZ-OH 3.14Å
104	V	96.6	Very high	95.9	Very high	56 Å²	56	45.7 Å²	45.7	34%	0.339	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	134.7	178.3	-175.1	0	0	0	0	110.5	E95 T97 Y158	E95-V104 HydrophobicContact CB-CG1 4.28Å; T97-V104 HydrophobicContact CG2-CG2 4.39Å; V104-Y158 HydrophobicContact CG1-CD1 4.32Å; V104-Y158 HydrophobicContact CG1-CD2 4.24Å; V104-Y158 HydrophobicContact CG1-CG 4.11Å; V104-Y158 WeakPolarHBondContact O-CB 3.48Å
105	Y	97.8	Very high	95.8	Very high	18 Å²	18	44.6 Å²	44.6	7%	0.071	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	160.8	177.4	-56.6	-83.1	0	0	0	110.7	E95 M96 D98 K103 Y143 L155	E95-Y105 CarbonylContact C-O 3.59Å; E95-Y105 WeakPolarHBondContact CA-O 3.42Å; M96-Y105 PolarHBondContact N-O 2.58Å; M96-Y105 PolarHBondContact O-N 2.93Å; D98-Y105 HydrophobicContact CB-CD2 4.38Å; D98-Y105 HydrophobicContact CB-CE2 3.69Å; K103-Y105 HydrophobicContact CB-CE2 4.01Å; K103-Y105 HydrophobicContact CD-CE1 4.15Å; K103-Y105 WeakPolarHBondContact CD-OH 3.43Å; K103-Y105 HydrophobicContact CG-CE1 4.25Å; K103-Y105 HydrophobicContact CG-CE2 4.18Å; K103-Y105 WeakPolarHBondContact O-CD2 3.42Å; K103-Y105 WeakPolarHBondContact O-CE2 3.4Å; Y105-Y143 HydrophobicContact CD1-CD1 4.29Å; Y105-Y143 AromaticContact CD1-CD2 3.72Å; Y105-Y143 HydrophobicContact CD1-CD2 3.72Å; Y105-Y143 HydrophobicContact CD1-CE2 4.12Å; Y105-Y143 AromaticContact CD1-CG 3.8Å; Y105-Y143 HydrophobicContact CD1-CG 3.8Å; Y105-Y143 AromaticContact CE1-CD1 3.54Å; Y105-Y143 HydrophobicContact CE1-CD1 3.54Å; Y105-Y143 AromaticContact CE1-CD2 3.82Å; Y105-Y143 HydrophobicContact CE1-CD2 3.82Å; Y105-Y143 AromaticContact CE1-CE1 3.82Å; Y105-Y143 HydrophobicContact CE1-CE1 3.82Å; Y105-Y143 HydrophobicContact CE1-CE2 4.09Å; Y105-Y143 AromaticContact CE1-CG 3.51Å; Y105-Y143 HydrophobicContact CE1-CG 3.51Å; Y105-L155 HydrophobicContact CD2-CD2 4.13Å; Y105-L155 HydrophobicContact CG-CD2 4.25Å
106	A	97.6	Very high	95.6	Very high	18 Å²	18	47.2 Å²	47.2	15%	0.149	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	116.9	162.1	0	0	0	0	0	108.6	L85 L156 Y158	L85-A106 HydrophobicContact CD1-CB 3.85Å; A106-L156 PolarHBondContact N-O 2.99Å; A106-L156 WeakPolarHBondContact O-CB 3.23Å; A106-L156 PolarHBondContact O-N 3.3Å; A106-Y158 HydrophobicContact CB-CD2 4.49Å
107	A	97.1	Very high	95.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	123.4	179.3	0	0	0	0	0	111.4	C93 Y94 M96 I109 I154	C93-A107 CarbonylContact C-O 3.5Å; C93-A107 VanDerWaalsContact CA-O 3.24Å; C93-A107 WeakPolarHBondContact CA-O 3.45Å; Y94-A107 PolarHBondContact N-O 2.84Å; Y94-A107 PolarHBondContact O-N 3.14Å; M96-A107 HydrophobicContact CB-CB 3.61Å; M96-A107 HydrophobicContact CE-CB 3.72Å; M96-A107 HydrophobicContact CG-CB 4.16Å; A107-I109 HydrophobicContact CB-CG1 4.5Å; A107-I154 CarbonylContact C-O 3.45Å; A107-I154 VanDerWaalsContact CA-O 3.28Å; A107-I154 WeakPolarHBondContact CA-O 3.43Å
108	K	96.1	Very high	95.2	Very high	24 Å²	24	56 Å²	56	10%	0.104	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	118.5	163.2	-70.2	-177.6	173.7	-171	0	108.1	A91 E127 Y153 I154 L156 D220	A91-K108 HydrophobicContact CB-CB 4.18Å; A91-K108 HydrophobicContact CB-CG 4.48Å; K108-E127 IonicContact NZ-OE1 2.79Å; K108-E127 PolarHBondContact NZ-OE1 2.99Å; K108-Y153 WeakPolarHBondContact O-CA 3.47Å; K108-I154 HydrophobicContact CB-CB 4.26Å; K108-I154 PolarHBondContact N-O 3.49Å; K108-I154 PolarHBondContact O-N 2.92Å; K108-L156 HydrophobicContact CD-CD1 4.27Å; K108-L156 HydrophobicContact CG-CD1 4.39Å; K108-D220 IonicContact NZ-OD1 3.84Å; K108-D220 PolarHBondContact NZ-OD1 3.17Å
109	I	96.4	Very high	94.9	Very high	11 Å²	11	60.5 Å²	60.5	6%	0.056	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.5	176.7	-49.6	-177.6	0	0	0	108.5	I70 R81 A91 K92 Y94 M96 A107 N151 I152 Y153	I70-I109 HydrophobicContact CD1-CD1 4.38Å; R81-I109 HydrophobicContact CG-CD1 4.48Å; A91-I109 WeakPolarHBondContact CA-O 3.21Å; K92-I109 PolarHBondContact N-O 3.46Å; K92-I109 PolarHBondContact O-N 3.18Å; Y94-I109 HydrophobicContact CD2-CD1 3.53Å; Y94-I109 HydrophobicContact CD2-CG1 4Å; Y94-I109 HydrophobicContact CE2-CD1 3.99Å; Y94-I109 HydrophobicContact CG-CD1 4.15Å; M96-I109 HydrophobicContact CE-CD1 3.92Å; A107-I109 HydrophobicContact CB-CG1 4.5Å; I109-N151 HydrophobicContact CG2-CB 3.8Å; I109-I152 WeakPolarHBondContact CA-O 3.5Å; I109-Y153 HydrophobicContact CB-CD1 4.44Å; I109-Y153 HydrophobicContact CB-CE1 4.45Å; I109-Y153 HydrophobicContact CD1-CD1 4.21Å; I109-Y153 HydrophobicContact CD1-CE1 3.97Å; I109-Y153 HydrophobicContact CG1-CD1 3.86Å; I109-Y153 HydrophobicContact CG1-CE1 4.02Å; I109-Y153 HydrophobicContact CG2-CD1 4.09Å; I109-Y153 HydrophobicContact CG2-CE1 3.71Å
110	I	96.4	Very high	94.6	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.015	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	111.4	-176.2	-58.9	151	0	0	0	108.7	F90 A91 V115 I124 N151 I152 I154	F90-I110 HydrophobicContact CB-CG2 4.05Å; A91-I110 HydrophobicContact CB-CD1 4.29Å; A91-I110 HydrophobicContact CB-CG1 3.53Å; I110-V115 HydrophobicContact CG2-CG1 3.93Å; I110-I124 HydrophobicContact CD1-CD1 3.96Å; I110-I124 HydrophobicContact CD1-CG1 4.37Å; I110-I124 HydrophobicContact CD1-CG2 3.96Å; I110-N151 WeakPolarHBondContact O-CA 3.43Å; I110-I152 HydrophobicContact CB-CB 4.19Å; I110-I152 HydrophobicContact CD1-CG2 4.49Å; I110-I152 PolarHBondContact N-O 3.05Å; I110-I152 PolarHBondContact O-N 3.2Å; I110-I154 HydrophobicContact CD1-CD1 4.18Å
111	P	96.1	Very high	94.6	Very high	34 Å²	34	57.7 Å²	57.7	22%	0.221	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	138.4	175.1	-22.3	32	0	0	0	112.2	S113 R114 E150 N151	P111-S113 PolarHBondContact O-N 3.03Å; P111-R114 HydrophobicContact CB-CG 4.36Å; P111-R114 HydrophobicContact CG-CG 4.47Å; P111-R114 WeakPolarHBondContact O-CB 3.48Å; P111-R114 PolarHBondContact O-N 2.96Å; P111-E150 WeakPolarHBondContact CA-O 2.98Å; P111-N151 WeakPolarHBondContact CA-OD1 3.33Å
112	H	95.8	Very high	94.6	Very high	52 Å²	52	59.8 Å²	59.8	24%	0.241	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-55.8	-35	176.6	-72.3	-50.4	0	0	0	112.5	R114 V115 A116 E147 D148 E150	H112-R114 PolarHBondContact O-N 3.45Å; H112-R114 VanDerWaalsContact O-N 3.11Å; H112-V115 CarbonylContact O-C 3.52Å; H112-V115 WeakPolarHBondContact O-CG2 3.26Å; H112-V115 PolarHBondContact O-N 3.42Å; H112-A116 PolarHBondContact O-N 2.96Å; H112-E147 IonicContact CE1-OE2 2.77Å; H112-E147 PolarHBondContact CE1-OE2 3.09Å; H112-D148 PolarHBondContact NE2-O 3.11Å; H112-E150 PolarHBondContact CD2-O 2.97Å; H112-E150 PolarHBondContact N-O 3.38Å
113	S	94.6	Very high	94.5	Very high	100 Å²	100	59.3 Å²	59.3	70%	0.699	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-59	-23.4	176.3	59.4	0	0	0	0	114	P111	P111-S113 PolarHBondContact O-N 3.03Å
114	R	92.5	Very high	94.4	Very high	96 Å²	96	55.3 Å²	55.3	36%	0.362	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-86.2	-10.8	177.6	-67.6	-167.8	173.9	-163.7	-7	114.2	F90 P111 H112 Q120	F90-R114 HydrophobicContact CD1-CB 4.29Å; F90-R114 WeakPolarHBondContact CD1-O 3.37Å; F90-R114 WeakPolarHBondContact O-CD 3.32Å; F90-R114 PolarHBondContact O-NH1 3.5Å; P111-R114 HydrophobicContact CB-CG 4.36Å; P111-R114 HydrophobicContact CG-CG 4.47Å; P111-R114 WeakPolarHBondContact O-CB 3.48Å; P111-R114 PolarHBondContact O-N 2.96Å; H112-R114 PolarHBondContact O-N 3.45Å; H112-R114 VanDerWaalsContact O-N 3.11Å; R114-Q120 PolarHBondContact O-OE1 2.84Å
115	V	93.3	Very high	94.3	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.042	29%	0.291	C	S	.	.	S	Bend	trans	-127.8	26.3	-178.8	-65.4	0	0	0	0	111.6	I110 H112 K117 Q120 I124 I152	I110-V115 HydrophobicContact CG2-CG1 3.93Å; H112-V115 CarbonylContact O-C 3.52Å; H112-V115 WeakPolarHBondContact O-CG2 3.26Å; H112-V115 PolarHBondContact O-N 3.42Å; V115-K117 PolarHBondContact O-N 3.33Å; V115-K117 VanDerWaalsContact O-N 3.16Å; V115-Q120 HydrophobicContact CB-CB 4.3Å; V115-Q120 HydrophobicContact CG1-CB 4.31Å; V115-I124 HydrophobicContact CG1-CG1 3.86Å; V115-I152 HydrophobicContact CG2-CD1 3.93Å
116	A	92.3	Very high	94.1	Very high	83 Å²	83	57.3 Å²	57.3	69%	0.686	30%	0.298	S	S	*	.			trans	-63.3	-20.8	-179.3	0	0	0	0	0	113.4	H112	H112-A116 PolarHBondContact O-N 2.96Å
117	K	93.8	Very high	94	Very high	125 Å²	125	57.2 Å²	57.2	54%	0.543	30%	0.295	S	S	.	.	S	Bend	trans	-89.7	137	176.7	-58.5	-172.5	-177.7	-177.5	0	110.5	V115 H119 Q120 R121	V115-K117 PolarHBondContact O-N 3.33Å; V115-K117 VanDerWaalsContact O-N 3.16Å; K117-H119 PolarHBondContact O-N 3.15Å; K117-Q120 HydrophobicContact CB-CG 4.19Å; K117-Q120 WeakPolarHBondContact O-CB 3.38Å; K117-Q120 PolarHBondContact O-N 3.04Å; K117-R121 PolarHBondContact O-N 3.36Å
118	P	93.4	Very high	94	Very high	95 Å²	95	57.8 Å²	57.8	62%	0.617	30%	0.298	S	S	*	.	H	α-helix	trans	-50.4	-49.3	-176.9	-29.9	34.9	0	0	0	114.2	Q120 R121 E122	P118-Q120 PolarHBondContact O-N 2.94Å; P118-Q120 VanDerWaalsContact O-N 3.1Å; P118-R121 WeakPolarHBondContact O-CB 3.35Å; P118-R121 PolarHBondContact O-N 2.92Å; P118-E122 WeakPolarHBondContact O-CG 3.17Å; P118-E122 PolarHBondContact O-N 3.16Å
119	H	89.1	Confident	94	Very high	99 Å²	99	61.3 Å²	61.3	46%	0.458	32%	0.315	S	S	.	.	H	α-helix	trans	-63.6	-19	179	69.7	-91	0	0	0	115.1	K117 K123	K117-H119 PolarHBondContact O-N 3.15Å; H119-K123 WeakPolarHBondContact O-CG 3.46Å
120	Q	91.1	Very high	94	Very high	39 Å²	39	60.9 Å²	60.9	18%	0.182	31%	0.313	C	S	.	.	H	α-helix	trans	-84.1	-39.4	174	-64.4	174	-28.5	0	0	110.2	F90 R114 V115 K117 P118 K123	F90-Q120 HydrophobicContact CE1-CG 4.46Å; F90-Q120 HydrophobicContact CZ-CG 4.33Å; R114-Q120 PolarHBondContact O-OE1 2.84Å; V115-Q120 HydrophobicContact CB-CB 4.3Å; V115-Q120 HydrophobicContact CG1-CB 4.31Å; K117-Q120 HydrophobicContact CB-CG 4.19Å; K117-Q120 WeakPolarHBondContact O-CB 3.38Å; K117-Q120 PolarHBondContact O-N 3.04Å; P118-Q120 PolarHBondContact O-N 2.94Å; P118-Q120 VanDerWaalsContact O-N 3.1Å; Q120-K123 WeakPolarHBondContact O-CB 3.48Å; Q120-K123 PolarHBondContact O-N 3.18Å
121	R	94	Very high	94.1	Very high	56 Å²	56	60.9 Å²	60.9	21%	0.211	31%	0.312	C	S	.	.	H	α-helix	trans	-63.6	-46.9	174.8	-176.8	62.9	-168.4	-136.2	-2	111.5	K117 P118 K123 I124 D125 Y145 E147 I152	K117-R121 PolarHBondContact O-N 3.36Å; P118-R121 WeakPolarHBondContact O-CB 3.35Å; P118-R121 PolarHBondContact O-N 2.92Å; R121-K123 PolarHBondContact O-N 3.11Å; R121-K123 VanDerWaalsContact O-N 3.11Å; R121-I124 PolarHBondContact O-N 3Å; R121-D125 IonicContact CZ-OD1 3.01Å; R121-D125 IonicContact NE-OD1 2.58Å; R121-D125 PolarHBondContact NE-OD1 2.93Å; R121-D125 IonicContact NE-OD2 3.73Å; R121-D125 IonicContact NH2-OD1 2.84Å; R121-D125 PolarHBondContact O-N 3.24Å; R121-Y145 PolarHBondContact NH2-OH 2.82Å; R121-Y145 VanDerWaalsContact NH2-OH 3.15Å; R121-E147 IonicContact CZ-OE1 3.29Å; R121-E147 IonicContact CZ-OE2 2.78Å; R121-E147 VanDerWaalsContact CZ-OE2 3.27Å; R121-E147 IonicContact NH1-OE2 3.77Å; R121-E147 PolarHBondContact NH1-OE2 3.12Å; R121-E147 IonicContact NH2-OE1 3.69Å; R121-E147 PolarHBondContact NH2-OE1 2.98Å; R121-E147 IonicContact NH2-OE2 3.48Å; R121-E147 PolarHBondContact NH2-OE2 2.74Å; R121-I152 VanDerWaalsContact NH1-CD1 3.28Å
122	E	93.4	Very high	94.2	Very high	125 Å²	125	67 Å²	67	58%	0.584	33%	0.331	S	S	*	.	H	α-helix	trans	-53.9	-33.5	175.3	-74	167.9	-160.1	0	0	113.1	P118 K126	P118-E122 WeakPolarHBondContact O-CG 3.17Å; P118-E122 PolarHBondContact O-N 3.16Å; E122-K126 WeakPolarHBondContact O-CB 3.37Å; E122-K126 PolarHBondContact O-N 3.34Å
123	K	91	Very high	94.2	Very high	114 Å²	114	68.7 Å²	68.7	50%	0.496	34%	0.341	S	S	.	.	H	α-helix	trans	-66.8	-40.4	175.9	-74.1	177.3	179.6	-174.8	0	112.3	H119 Q120 R121 E127	H119-K123 WeakPolarHBondContact O-CG 3.46Å; Q120-K123 WeakPolarHBondContact O-CB 3.48Å; Q120-K123 PolarHBondContact O-N 3.18Å; R121-K123 PolarHBondContact O-N 3.11Å; R121-K123 VanDerWaalsContact O-N 3.11Å; K123-E127 PolarHBondContact O-N 2.89Å
124	I	94	Very high	94.4	Very high	6 Å²	6	64 Å²	64	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-71.6	-44.8	178.4	-55.4	-50.4	0	0	0	109.9	F90 I110 V115 R121 K126 E127 I128 I152 I154	F90-I124 HydrophobicContact CD2-CD1 4.31Å; I110-I124 HydrophobicContact CD1-CD1 3.96Å; I110-I124 HydrophobicContact CD1-CG1 4.37Å; I110-I124 HydrophobicContact CD1-CG2 3.96Å; V115-I124 HydrophobicContact CG1-CG1 3.86Å; R121-I124 PolarHBondContact O-N 3Å; I124-K126 VanDerWaalsContact C-N 3.28Å; I124-K126 PolarHBondContact O-N 3.43Å; I124-E127 WeakPolarHBondContact O-CB 3.5Å; I124-E127 PolarHBondContact O-N 3.04Å; I124-E127 VanDerWaalsContact O-N 3.15Å; I124-I128 HydrophobicContact CG2-CD1 3.86Å; I124-I128 WeakPolarHBondContact O-CD1 3.48Å; I124-I128 WeakPolarHBondContact O-CG1 3.39Å; I124-I128 PolarHBondContact O-N 3.19Å; I124-I152 HydrophobicContact CG2-CD1 4.32Å; I124-I152 HydrophobicContact CG2-CG2 4.41Å; I124-I154 HydrophobicContact CG2-CD1 4.32Å
125	D	95	Very high	94.6	Very high	64 Å²	64	66.1 Å²	66.1	34%	0.342	32%	0.322	S	S	.	.	H	α-helix	trans	-59.7	-41.7	178	-62.1	-20.6	0	0	0	110.7	R121 I128 E129	R121-D125 IonicContact CZ-OD1 3.01Å; R121-D125 IonicContact NE-OD1 2.58Å; R121-D125 PolarHBondContact NE-OD1 2.93Å; R121-D125 IonicContact NE-OD2 3.73Å; R121-D125 IonicContact NH2-OD1 2.84Å; R121-D125 PolarHBondContact O-N 3.24Å; D125-I128 PolarHBondContact O-N 3.1Å; D125-E129 WeakPolarHBondContact O-CB 3.4Å; D125-E129 PolarHBondContact O-N 3.22Å
126	K	93.9	Very high	94.9	Very high	52 Å²	52	68 Å²	68	23%	0.226	33%	0.33	C	S	.	.	H	α-helix	trans	-66.2	-39.7	174.8	-174.2	170	-178.9	168.9	0	113.3	E122 I124 I128 E129 L130	E122-K126 WeakPolarHBondContact O-CB 3.37Å; E122-K126 PolarHBondContact O-N 3.34Å; I124-K126 VanDerWaalsContact C-N 3.28Å; I124-K126 PolarHBondContact O-N 3.43Å; K126-I128 VanDerWaalsContact C-N 3.31Å; K126-I128 PolarHBondContact O-N 2.9Å; K126-E129 PolarHBondContact O-N 3Å; K126-L130 HydrophobicContact CG-CD1 4.04Å; K126-L130 HydrophobicContact CG-CG 4.38Å; K126-L130 WeakPolarHBondContact O-CB 3.45Å; K126-L130 WeakPolarHBondContact O-CG 3.44Å; K126-L130 PolarHBondContact O-N 2.92Å
127	E	95.1	Very high	95.2	Very high	16 Å²	16	69.5 Å²	69.5	8%	0.075	32%	0.321	C	S	.	.	H	α-helix	trans	-59.5	-44.8	173.9	-179.9	177.9	170	0	0	110.6	K108 K123 I124 H131 F221 G222	K108-E127 IonicContact NZ-OE1 2.79Å; K108-E127 PolarHBondContact NZ-OE1 2.99Å; K123-E127 PolarHBondContact O-N 2.89Å; I124-E127 WeakPolarHBondContact O-CB 3.5Å; I124-E127 PolarHBondContact O-N 3.04Å; I124-E127 VanDerWaalsContact O-N 3.15Å; E127-H131 WeakPolarHBondContact O-CB 3.49Å; E127-H131 PolarHBondContact O-N 3.45Å; E127-F221 HydrophobicContact CG-CB 4.32Å; E127-G222 WeakPolarHBondContact OE2-CA 3.19Å
128	I	96.3	Very high	95.4	Very high	13 Å²	13	64.5 Å²	64.5	7%	0.067	30%	0.3	C	S	.	.	H	α-helix	trans	-65.5	-47.4	177.7	-66.3	157.9	0	0	0	111	I124 D125 K126 L130 H131 R132 F142 Y145 I154	I124-I128 HydrophobicContact CG2-CD1 3.86Å; I124-I128 WeakPolarHBondContact O-CD1 3.48Å; I124-I128 WeakPolarHBondContact O-CG1 3.39Å; I124-I128 PolarHBondContact O-N 3.19Å; D125-I128 PolarHBondContact O-N 3.1Å; K126-I128 VanDerWaalsContact C-N 3.31Å; K126-I128 PolarHBondContact O-N 2.9Å; I128-L130 VanDerWaalsContact C-N 3.34Å; I128-L130 PolarHBondContact O-N 2.85Å; I128-H131 PolarHBondContact O-N 3.33Å; I128-R132 WeakPolarHBondContact O-CB 3.42Å; I128-R132 WeakPolarHBondContact O-CG 3.47Å; I128-R132 PolarHBondContact O-N 3.42Å; I128-F142 HydrophobicContact CG2-CE2 4.33Å; I128-F142 HydrophobicContact CG2-CZ 4Å; I128-Y145 HydrophobicContact CD1-CD2 3.45Å; I128-Y145 VanDerWaalsContact CD1-CD2 3.45Å; I128-Y145 HydrophobicContact CD1-CE2 3.2Å; I128-Y145 HydrophobicContact CD1-CG 4.15Å; I128-Y145 HydrophobicContact CG1-CD2 4.19Å; I128-Y145 HydrophobicContact CG1-CE2 4.38Å; I128-Y145 HydrophobicContact CG2-CG 4.46Å; I128-I154 HydrophobicContact CD1-CD1 4.09Å; I128-I154 HydrophobicContact CD1-CG1 4.27Å; I128-I154 HydrophobicContact CG1-CD1 3.75Å; I128-I154 HydrophobicContact CG1-CG1 4.08Å
129	E	96.8	Very high	95.7	Very high	98 Å²	98	60 Å²	60	46%	0.458	27%	0.271	S	S	.	.	H	α-helix	trans	-55.8	-47.6	179.8	-173.1	-155.3	142.5	0	0	111.6	D125 K126 R132 R226	D125-E129 WeakPolarHBondContact O-CB 3.4Å; D125-E129 PolarHBondContact O-N 3.22Å; K126-E129 PolarHBondContact O-N 3Å; E129-R132 WeakPolarHBondContact O-CG 3.28Å; E129-R226 IonicContact OE1-NH2 3.08Å
130	L	96.6	Very high	96.1	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-75.3	-42.1	-178.4	-66	177.4	0	0	0	112.2	K126 I128 I133 L134 I198 A224 R226	K126-L130 HydrophobicContact CG-CD1 4.04Å; K126-L130 HydrophobicContact CG-CG 4.38Å; K126-L130 WeakPolarHBondContact O-CB 3.45Å; K126-L130 WeakPolarHBondContact O-CG 3.44Å; K126-L130 PolarHBondContact O-N 2.92Å; I128-L130 VanDerWaalsContact C-N 3.34Å; I128-L130 PolarHBondContact O-N 2.85Å; L130-I133 VanDerWaalsContact O-CG1 3.26Å; L130-I133 WeakPolarHBondContact O-CG1 3.24Å; L130-L134 WeakPolarHBondContact O-CG 3.44Å; L130-I198 HydrophobicContact CD2-CD1 4.28Å; L130-I198 HydrophobicContact CD2-CG1 4.33Å; L130-A224 HydrophobicContact CD1-CB 4.17Å; L130-R226 HydrophobicContact CD2-CG 3.83Å
131	H	98	Very high	96.5	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.009	25%	0.251	C	S	.	.	H	α-helix	trans	-75.9	-33.6	-173.3	-164.7	-178.4	0	0	0	112.2	E127 I128 I133 L134 V140 F142 F221	E127-H131 WeakPolarHBondContact O-CB 3.49Å; E127-H131 PolarHBondContact O-N 3.45Å; I128-H131 PolarHBondContact O-N 3.33Å; H131-I133 PolarHBondContact O-N 3.26Å; H131-L134 PolarHBondContact O-N 2.79Å; H131-L134 VanDerWaalsContact O-N 3.14Å; H131-V140 PolarHBondContact NE2-O 2.93Å; H131-F142 HydrophobicContact CB-CD2 4.03Å; H131-F142 AromaticContact CG-CD2 3.98Å; H131-F221 HydrophobicContact CB-CB 4.26Å; H131-F221 HydrophobicContact CB-CD2 4.18Å; H131-F221 HydrophobicContact CB-CG 4.28Å; H131-F221 AromaticContact CD2-CD2 3.57Å; H131-F221 AromaticContact CD2-CE2 3.6Å; H131-F221 AromaticContact CE1-CD2 3.55Å; H131-F221 AromaticContact CE1-CE2 3.81Å; H131-F221 AromaticContact CG-CD2 3.49Å; H131-F221 VanDerWaalsContact CG-CD2 3.49Å; H131-F221 AromaticContact ND1-CD2 3.48Å; H131-F221 WeakPolarHBondContact ND1-CD2 3.43Å; H131-F221 AromaticContact NE2-CD2 3.62Å; H131-F221 AromaticContact NE2-CE2 3.46Å; H131-F221 WeakPolarHBondContact NE2-CE2 3.45Å
132	R	97.2	Very high	96.7	Very high	163 Å²	163	54 Å²	54	62%	0.615	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.7	-175.5	73.6	-178.3	-62.2	-176.8	3.1	114.9	I128 E129 F142	I128-R132 WeakPolarHBondContact O-CB 3.42Å; I128-R132 WeakPolarHBondContact O-CG 3.47Å; I128-R132 PolarHBondContact O-N 3.42Å; E129-R132 WeakPolarHBondContact O-CG 3.28Å; R132-F142 HydrophobicContact CB-CD1 3.85Å; R132-F142 HydrophobicContact CB-CD2 4.4Å; R132-F142 HydrophobicContact CB-CE1 3.92Å; R132-F142 HydrophobicContact CB-CE2 4.43Å; R132-F142 HydrophobicContact CB-CG 4.11Å; R132-F142 HydrophobicContact CB-CZ 4.2Å
133	I	96.6	Very high	96.8	Very high	88 Å²	88	52.4 Å²	52.4	45%	0.451	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-8.3	-178.2	62	167.6	0	0	0	112.7	L130 H131 I198	L130-I133 VanDerWaalsContact O-CG1 3.26Å; L130-I133 WeakPolarHBondContact O-CG1 3.24Å; H131-I133 PolarHBondContact O-N 3.26Å; I133-I198 HydrophobicContact CD1-CD1 4.48Å
134	L	98.2	Very high	97.1	Very high	1 Å²	1	50 Å²	50	1%	0.005	23%	0.225	C	C	.	.			trans	-84.5	129	-175	-57.5	177.4	0	0	0	111.2	L130 H131 V139 Y192 L193 Q196 I198 F221	L130-L134 WeakPolarHBondContact O-CG 3.44Å; H131-L134 PolarHBondContact O-N 2.79Å; H131-L134 VanDerWaalsContact O-N 3.14Å; L134-V139 HydrophobicContact CB-CG1 4.19Å; L134-V139 HydrophobicContact CD1-CG1 4.26Å; L134-Y192 HydrophobicContact CB-CE1 4.11Å; L134-Y192 HydrophobicContact CD2-CE1 3.82Å; L134-L193 HydrophobicContact CD1-CD2 3.62Å; L134-L193 HydrophobicContact CD2-CD2 4.04Å; L134-L193 HydrophobicContact CG-CD2 4.44Å; L134-Q196 HydrophobicContact CD2-CB 4.49Å; L134-Q196 HydrophobicContact CD2-CG 4.38Å; L134-I198 HydrophobicContact CD2-CD1 3.77Å; L134-F221 HydrophobicContact CD1-CD1 4.03Å; L134-F221 HydrophobicContact CD1-CE1 3.48Å; L134-F221 VanDerWaalsContact CD1-CE1 3.48Å; L134-F221 HydrophobicContact CD1-CE2 4.17Å; L134-F221 HydrophobicContact CD1-CZ 3.56Å
135	H	98.1	Very high	97.2	Very high	141 Å²	141	52.4 Å²	52.4	65%	0.653	23%	0.234	S	C	*	.			trans	-141.3	97.4	176.4	-168.8	67.1	0	0	0	110.6	Q141 Y192	H135-Q141 PolarHBondContact ND1-OE1 2.87Å; H135-Y192 PolarHBondContact N-OH 2.88Å
136	H	98.7	Very high	97.3	Very high	47 Å²	47	49.8 Å²	49.8	22%	0.218	22%	0.22	C	C	.	.			trans	-152.6	147.1	-179.5	-179.1	-100.7	0	0	0	111.6	H138 V139 S188 Y192	H136-H138 PolarHBondContact ND1-N 2.94Å; H136-H138 PolarHBondContact O-N 3.4Å; H136-H138 VanDerWaalsContact O-N 3.12Å; H136-V139 HydrophobicContact CB-CB 4.22Å; H136-V139 HydrophobicContact CB-CG2 4.09Å; H136-V139 PolarHBondContact O-N 2.8Å; H136-V139 VanDerWaalsContact O-N 3.09Å; H136-S188 PolarHBondContact CE1-O 3.07Å; H136-S188 PolarHBondContact CE1-OG 3.18Å; H136-S188 VanDerWaalsContact CE1-OG 3.25Å; H136-Y192 HydrophobicContact CB-CD1 3.42Å; H136-Y192 VanDerWaalsContact CB-CD1 3.42Å; H136-Y192 HydrophobicContact CB-CD2 4.02Å; H136-Y192 HydrophobicContact CB-CE1 3.66Å; H136-Y192 HydrophobicContact CB-CE2 4.25Å; H136-Y192 HydrophobicContact CB-CG 3.6Å; H136-Y192 AromaticContact CD2-CG 3.89Å; H136-Y192 AromaticContact CG-CD1 3.94Å; H136-Y192 AromaticContact CG-CG 3.69Å
137	K	98.4	Very high	97.5	Very high	114 Å²	114	50.2 Å²	50.2	50%	0.496	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-39.2	-176.7	-178.2	174.5	178.6	174.1	0	112.9	E215 K217	K137-E215 WeakPolarHBondContact CE-OE1 3.46Å; K137-E215 IonicContact NZ-OE1 3.71Å; K137-E215 PolarHBondContact NZ-OE1 3.32Å; K137-K217 WeakPolarHBondContact O-CD 3.25Å; K137-K217 WeakPolarHBondContact O-CE 3.49Å; K137-K217 PolarHBondContact O-NZ 3.08Å
138	H	98.8	Very high	97.5	Very high	19 Å²	19	51.5 Å²	51.5	9%	0.088	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	20	-176.3	-62.5	-59.6	0	0	0	114.4	H136 Q185 S188 L216 V218	H136-H138 PolarHBondContact ND1-N 2.94Å; H136-H138 PolarHBondContact O-N 3.4Å; H136-H138 VanDerWaalsContact O-N 3.12Å; H138-Q185 WeakPolarHBondContact CB-O 3.42Å; H138-Q185 VanDerWaalsContact CE1-CG 3.41Å; H138-Q185 WeakPolarHBondContact CE1-CG 3.38Å; H138-Q185 PolarHBondContact CE1-OE1 3.09Å; H138-Q185 PolarHBondContact ND1-OE1 2.99Å; H138-S188 PolarHBondContact CD2-OG 3.4Å; H138-L216 WeakPolarHBondContact CA-O 3.38Å; H138-L216 PolarHBondContact ND1-O 3.29Å; H138-V218 PolarHBondContact O-N 3.48Å
139	V	98.8	Very high	97.5	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.012	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-117	139.6	169.3	174.2	0	0	0	0	108.3	L134 H136 Q141 Y192 L193 V218 F221	L134-V139 HydrophobicContact CB-CG1 4.19Å; L134-V139 HydrophobicContact CD1-CG1 4.26Å; H136-V139 HydrophobicContact CB-CB 4.22Å; H136-V139 HydrophobicContact CB-CG2 4.09Å; H136-V139 PolarHBondContact O-N 2.8Å; H136-V139 VanDerWaalsContact O-N 3.09Å; V139-Q141 PolarHBondContact O-N 3.34Å; V139-Y192 HydrophobicContact CG2-CD1 4.04Å; V139-L193 HydrophobicContact CG2-CD2 4.22Å; V139-L193 HydrophobicContact CG2-CG 4.39Å; V139-V218 WeakPolarHBondContact CA-O 3.46Å; V139-F221 HydrophobicContact CG1-CE2 3.92Å; V139-F221 HydrophobicContact CG1-CZ 3.67Å
140	V	98.5	Very high	97.4	Very high	8 Å²	8	62.9 Å²	62.9	5%	0.048	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-57.7	121.2	175.7	168.1	0	0	0	0	108.6	H131 F142 L156 E157 F209 K217 V218	H131-V140 PolarHBondContact NE2-O 2.93Å; V140-F142 PolarHBondContact O-N 2.87Å; V140-L156 HydrophobicContact CG1-CB 3.94Å; V140-E157 HydrophobicContact CG1-CB 4.07Å; V140-F209 HydrophobicContact CG2-CB 4.48Å; V140-F209 HydrophobicContact CG2-CD2 3.74Å; V140-F209 HydrophobicContact CG2-CE2 4.46Å; V140-F209 HydrophobicContact CG2-CG 4.43Å; V140-K217 HydrophobicContact CG2-CB 3.61Å; V140-V218 PolarHBondContact N-O 3.34Å
141	Q	98.4	Very high	97.4	Very high	39 Å²	39	63.9 Å²	63.9	18%	0.182	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-68.3	131	-180	-174	58.3	45.5	0	0	111.5	H135 V139 Y143 L156 E157	H135-Q141 PolarHBondContact ND1-OE1 2.87Å; V139-Q141 PolarHBondContact O-N 3.34Å; Q141-Y143 HydrophobicContact CB-CD2 4.46Å; Q141-Y143 HydrophobicContact CB-CE2 3.91Å; Q141-Y143 HydrophobicContact CG-CD2 4.29Å; Q141-Y143 HydrophobicContact CG-CE2 3.93Å; Q141-L156 CarbonylContact O-C 3.44Å; Q141-L156 WeakPolarHBondContact O-CA 3.48Å; Q141-E157 HydrophobicContact CB-CB 4.07Å; Q141-E157 PolarHBondContact N-OE2 2.8Å; Q141-E157 VanDerWaalsContact N-OE2 3.14Å; Q141-E157 PolarHBondContact O-N 3.23Å
142	F	98.4	Very high	97.3	Very high	21 Å²	21	63.8 Å²	63.8	9%	0.092	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	130.9	165.9	-169.3	-77.8	0	0	0	109.4	I128 H131 R132 V140 I154 L156	I128-F142 HydrophobicContact CG2-CE2 4.33Å; I128-F142 HydrophobicContact CG2-CZ 4Å; H131-F142 HydrophobicContact CB-CD2 4.03Å; H131-F142 AromaticContact CG-CD2 3.98Å; R132-F142 HydrophobicContact CB-CD1 3.85Å; R132-F142 HydrophobicContact CB-CD2 4.4Å; R132-F142 HydrophobicContact CB-CE1 3.92Å; R132-F142 HydrophobicContact CB-CE2 4.43Å; R132-F142 HydrophobicContact CB-CG 4.11Å; R132-F142 HydrophobicContact CB-CZ 4.2Å; V140-F142 PolarHBondContact O-N 2.87Å; F142-I154 HydrophobicContact CD2-CG2 4.09Å; F142-I154 HydrophobicContact CE2-CG2 3.43Å; F142-I154 VanDerWaalsContact CE2-CG2 3.43Å; F142-I154 HydrophobicContact CZ-CG2 4.01Å; F142-L156 HydrophobicContact CB-CD2 4.4Å; F142-L156 HydrophobicContact CD2-CD2 3.8Å; F142-L156 HydrophobicContact CE2-CD2 4.5Å; F142-L156 HydrophobicContact CG-CD2 4.33Å
143	Y	96.8	Very high	97.4	Very high	91 Å²	91	56.4 Å²	56.4	36%	0.357	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	-54.6	-178.7	-79.7	-86.2	0	0	0	112.9	K103 Y105 Q141 L155 E157	K103-Y143 PolarHBondContact NZ-OH 3.14Å; Y105-Y143 HydrophobicContact CD1-CD1 4.29Å; Y105-Y143 AromaticContact CD1-CD2 3.72Å; Y105-Y143 HydrophobicContact CD1-CD2 3.72Å; Y105-Y143 HydrophobicContact CD1-CE2 4.12Å; Y105-Y143 AromaticContact CD1-CG 3.8Å; Y105-Y143 HydrophobicContact CD1-CG 3.8Å; Y105-Y143 AromaticContact CE1-CD1 3.54Å; Y105-Y143 HydrophobicContact CE1-CD1 3.54Å; Y105-Y143 AromaticContact CE1-CD2 3.82Å; Y105-Y143 HydrophobicContact CE1-CD2 3.82Å; Y105-Y143 AromaticContact CE1-CE1 3.82Å; Y105-Y143 HydrophobicContact CE1-CE1 3.82Å; Y105-Y143 HydrophobicContact CE1-CE2 4.09Å; Y105-Y143 AromaticContact CE1-CG 3.51Å; Y105-Y143 HydrophobicContact CE1-CG 3.51Å; Q141-Y143 HydrophobicContact CB-CD2 4.46Å; Q141-Y143 HydrophobicContact CB-CE2 3.91Å; Q141-Y143 HydrophobicContact CG-CD2 4.29Å; Q141-Y143 HydrophobicContact CG-CE2 3.93Å; Y143-L155 WeakPolarHBondContact CB-O 3.22Å; Y143-L155 PolarHBondContact N-O 3.42Å; Y143-E157 HydrophobicContact CE2-CB 4.05Å
144	H	95.9	Very high	97.4	Very high	64 Å²	64	52.3 Å²	52.3	30%	0.296	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	161.7	-173.9	-167.9	35.9	0	0	0	111	D72 F146 L155	D72-H144 IonicContact OD2-CD2 3.94Å; D72-H144 IonicContact OD2-NE2 3.73Å; D72-H144 PolarHBondContact OD2-NE2 3.29Å; D72-H144 VanDerWaalsContact OD2-NE2 3.08Å; H144-F146 AromaticContact CD2-CD1 3.91Å; H144-L155 HydrophobicContact CB-CB 4.39Å; H144-L155 HydrophobicContact CB-CD1 4.44Å; H144-L155 PolarHBondContact N-O 2.87Å; H144-L155 PolarHBondContact O-N 3.18Å
145	Y	97.1	Very high	97.4	Very high	56 Å²	56	52.4 Å²	52.4	22%	0.22	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	141.5	172.5	152.9	-89.4	0	0	0	109.8	R121 I128 E147 I152 Y153 I154	R121-Y145 PolarHBondContact NH2-OH 2.82Å; R121-Y145 VanDerWaalsContact NH2-OH 3.15Å; I128-Y145 HydrophobicContact CD1-CD2 3.45Å; I128-Y145 VanDerWaalsContact CD1-CD2 3.45Å; I128-Y145 HydrophobicContact CD1-CE2 3.2Å; I128-Y145 HydrophobicContact CD1-CG 4.15Å; I128-Y145 HydrophobicContact CG1-CD2 4.19Å; I128-Y145 HydrophobicContact CG1-CE2 4.38Å; I128-Y145 HydrophobicContact CG2-CG 4.46Å; Y145-E147 HydrophobicContact CE1-CG 4.29Å; Y145-E147 HydrophobicContact CE2-CG 4.04Å; Y145-E147 WeakPolarHBondContact OH-CG 3.26Å; Y145-E147 PolarHBondContact OH-OE1 2.95Å; Y145-I152 HydrophobicContact CD2-CG2 3.95Å; Y145-I152 HydrophobicContact CE2-CG2 3.37Å; Y145-Y153 VanDerWaalsContact CA-O 3.25Å; Y145-Y153 WeakPolarHBondContact CA-O 3.25Å; Y145-Y153 WeakPolarHBondContact CD2-O 3.42Å; Y145-I154 HydrophobicContact CD2-CG1 3.98Å
146	F	97.6	Very high	97.4	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.035	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	169.7	171	66.1	-89.8	0	0	0	110.7	I70 D72 Y79 H144 Y153 L155	I70-F146 HydrophobicContact CG2-CE2 3.76Å; I70-F146 HydrophobicContact CG2-CZ 3.72Å; D72-F146 HydrophobicContact CB-CB 4.31Å; D72-F146 HydrophobicContact CB-CD1 4.09Å; D72-F146 HydrophobicContact CB-CD2 3.84Å; D72-F146 HydrophobicContact CB-CE1 4.32Å; D72-F146 HydrophobicContact CB-CE2 4.11Å; D72-F146 HydrophobicContact CB-CG 3.83Å; D72-F146 HydrophobicContact CB-CZ 4.34Å; Y79-F146 AromaticContact CD2-CE1 3.94Å; Y79-F146 HydrophobicContact CD2-CE1 3.94Å; Y79-F146 AromaticContact CD2-CZ 3.86Å; Y79-F146 HydrophobicContact CD2-CZ 3.86Å; Y79-F146 HydrophobicContact CE2-CD1 4.37Å; Y79-F146 AromaticContact CE2-CE1 3.54Å; Y79-F146 HydrophobicContact CE2-CE1 3.54Å; Y79-F146 AromaticContact CE2-CZ 3.87Å; Y79-F146 HydrophobicContact CE2-CZ 3.87Å; H144-F146 AromaticContact CD2-CD1 3.91Å; F146-Y153 AromaticContact CD2-CD2 3.65Å; F146-Y153 HydrophobicContact CD2-CD2 3.65Å; F146-Y153 HydrophobicContact CD2-CE2 4.33Å; F146-Y153 HydrophobicContact CD2-CG 4.24Å; F146-Y153 HydrophobicContact CE1-CG 4.27Å; F146-Y153 HydrophobicContact CE2-CD1 4.46Å; F146-Y153 AromaticContact CE2-CD2 3.26Å; F146-Y153 HydrophobicContact CE2-CD2 3.26Å; F146-Y153 AromaticContact CE2-CE2 3.75Å; F146-Y153 HydrophobicContact CE2-CE2 3.75Å; F146-Y153 AromaticContact CE2-CG 3.66Å; F146-Y153 HydrophobicContact CE2-CG 3.66Å; F146-Y153 HydrophobicContact CG-CD2 4.46Å; F146-Y153 HydrophobicContact CZ-CD1 4.26Å; F146-Y153 AromaticContact CZ-CD2 3.81Å; F146-Y153 HydrophobicContact CZ-CD2 3.81Å; F146-Y153 HydrophobicContact CZ-CE2 4.45Å; F146-Y153 AromaticContact CZ-CG 3.68Å; F146-Y153 HydrophobicContact CZ-CG 3.68Å; F146-Y153 PolarHBondContact N-O 2.89Å; F146-Y153 VanDerWaalsContact N-O 3.07Å; F146-Y153 PolarHBondContact O-N 3.45Å; F146-L155 HydrophobicContact CD1-CD1 3.92Å; F146-L155 HydrophobicContact CE1-CD1 3.57Å
147	E	97.3	Very high	97.3	Very high	61 Å²	61	45.5 Å²	45.5	29%	0.285	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141.8	179.1	-56.9	179.8	-117.2	0	0	109.5	P73 H112 R121 Y145 N151 I152	P73-E147 WeakPolarHBondContact CD-O 3.35Å; P73-E147 WeakPolarHBondContact CG-O 3.42Å; H112-E147 IonicContact CE1-OE2 2.77Å; H112-E147 PolarHBondContact CE1-OE2 3.09Å; R121-E147 IonicContact CZ-OE1 3.29Å; R121-E147 IonicContact CZ-OE2 2.78Å; R121-E147 VanDerWaalsContact CZ-OE2 3.27Å; R121-E147 IonicContact NH1-OE2 3.77Å; R121-E147 PolarHBondContact NH1-OE2 3.12Å; R121-E147 IonicContact NH2-OE1 3.69Å; R121-E147 PolarHBondContact NH2-OE1 2.98Å; R121-E147 IonicContact NH2-OE2 3.48Å; R121-E147 PolarHBondContact NH2-OE2 2.74Å; Y145-E147 HydrophobicContact CE1-CG 4.29Å; Y145-E147 HydrophobicContact CE2-CG 4.04Å; Y145-E147 WeakPolarHBondContact OH-CG 3.26Å; Y145-E147 PolarHBondContact OH-OE1 2.95Å; E147-N151 WeakPolarHBondContact CA-O 3.42Å; E147-I152 HydrophobicContact CG-CB 4.46Å; E147-I152 HydrophobicContact CG-CG1 4.02Å
148	D	95.6	Very high	97.3	Very high	44 Å²	44	43 Å²	43	24%	0.235	19%	0.192	C	C	.	.			trans	-110.5	-168.8	163.7	71.4	23.5	0	0	0	110.4	H112 E150 N151 Y153	H112-D148 PolarHBondContact NE2-O 3.11Å; D148-E150 PolarHBondContact O-N 3.17Å; D148-E150 WeakPolarHBondContact OD1-CA 3.4Å; D148-E150 PolarHBondContact OD1-N 3.14Å; D148-N151 PolarHBondContact N-O 2.94Å; D148-N151 PolarHBondContact OD1-N 3.09Å; D148-Y153 HydrophobicContact CB-CE2 4.17Å; D148-Y153 VanDerWaalsContact CG-CE2 3.49Å; D148-Y153 WeakPolarHBondContact OD2-CE2 3.44Å; D148-Y153 VanDerWaalsContact OD2-CZ 3.26Å; D148-Y153 PolarHBondContact OD2-OH 3.14Å
149	K	95.4	Very high	97.2	Very high	208 Å²	208	42.7 Å²	42.7	90%	0.904	19%	0.193	S	C	*	.	S	Bend	trans	-63.2	-23	-179	-61.3	-178.9	-178	179.5	0	113.6
150	E	94.6	Very high	97.1	Very high	141 Å²	141	44.8 Å²	44.8	66%	0.659	21%	0.207	S	C	*	.	S	Bend	trans	-115.1	-33.5	-171.9	-66.5	-172.5	-177.1	0	0	113.3	P111 H112 D148	P111-E150 WeakPolarHBondContact CA-O 2.98Å; H112-E150 PolarHBondContact CD2-O 2.97Å; H112-E150 PolarHBondContact N-O 3.38Å; D148-E150 PolarHBondContact O-N 3.17Å; D148-E150 WeakPolarHBondContact OD1-CA 3.4Å; D148-E150 PolarHBondContact OD1-N 3.14Å
151	N	96.9	Very high	96.9	Very high	24 Å²	24	47.7 Å²	47.7	13%	0.128	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	153.1	-166.9	-53.3	-78.6	0	0	0	113.4	I109 I110 P111 E147 D148 Y153	I109-N151 HydrophobicContact CG2-CB 3.8Å; I110-N151 WeakPolarHBondContact O-CA 3.43Å; P111-N151 WeakPolarHBondContact CA-OD1 3.33Å; E147-N151 WeakPolarHBondContact CA-O 3.42Å; D148-N151 PolarHBondContact N-O 2.94Å; D148-N151 PolarHBondContact OD1-N 3.09Å; N151-Y153 HydrophobicContact CB-CD2 4.45Å; N151-Y153 HydrophobicContact CB-CE1 4.28Å; N151-Y153 HydrophobicContact CB-CE2 3.73Å; N151-Y153 PolarHBondContact ND2-OH 3.4Å; N151-Y153 WeakPolarHBondContact O-CE2 3.48Å
152	I	97.1	Very high	96.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	137.2	163.5	-61.9	165.5	0	0	0	108.9	I109 I110 V115 R121 I124 Y145 E147 I154	I109-I152 WeakPolarHBondContact CA-O 3.5Å; I110-I152 HydrophobicContact CB-CB 4.19Å; I110-I152 HydrophobicContact CD1-CG2 4.49Å; I110-I152 PolarHBondContact N-O 3.05Å; I110-I152 PolarHBondContact O-N 3.2Å; V115-I152 HydrophobicContact CG2-CD1 3.93Å; R121-I152 VanDerWaalsContact NH1-CD1 3.28Å; I124-I152 HydrophobicContact CG2-CD1 4.32Å; I124-I152 HydrophobicContact CG2-CG2 4.41Å; Y145-I152 HydrophobicContact CD2-CG2 3.95Å; Y145-I152 HydrophobicContact CE2-CG2 3.37Å; E147-I152 HydrophobicContact CG-CB 4.46Å; E147-I152 HydrophobicContact CG-CG1 4.02Å; I152-I154 HydrophobicContact CG2-CG1 4.39Å
153	Y	97.4	Very high	96.7	Very high	8 Å²	8	52.7 Å²	52.7	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.3	179	-57	-92	0	0	0	110.7	I70 M96 K108 I109 Y145 F146 D148 N151	I70-Y153 HydrophobicContact CD1-CD1 4.41Å; I70-Y153 HydrophobicContact CD1-CE1 3.67Å; I70-Y153 HydrophobicContact CG1-CE1 4.22Å; I70-Y153 HydrophobicContact CG2-CD1 4.28Å; I70-Y153 HydrophobicContact CG2-CE1 3.76Å; I70-Y153 HydrophobicContact CG2-CE2 4.08Å; M96-Y153 HydrophobicContact CE-CD1 4.33Å; K108-Y153 WeakPolarHBondContact O-CA 3.47Å; I109-Y153 HydrophobicContact CB-CD1 4.44Å; I109-Y153 HydrophobicContact CB-CE1 4.45Å; I109-Y153 HydrophobicContact CD1-CD1 4.21Å; I109-Y153 HydrophobicContact CD1-CE1 3.97Å; I109-Y153 HydrophobicContact CG1-CD1 3.86Å; I109-Y153 HydrophobicContact CG1-CE1 4.02Å; I109-Y153 HydrophobicContact CG2-CD1 4.09Å; I109-Y153 HydrophobicContact CG2-CE1 3.71Å; Y145-Y153 VanDerWaalsContact CA-O 3.25Å; Y145-Y153 WeakPolarHBondContact CA-O 3.25Å; Y145-Y153 WeakPolarHBondContact CD2-O 3.42Å; F146-Y153 AromaticContact CD2-CD2 3.65Å; F146-Y153 HydrophobicContact CD2-CD2 3.65Å; F146-Y153 HydrophobicContact CD2-CE2 4.33Å; F146-Y153 HydrophobicContact CD2-CG 4.24Å; F146-Y153 HydrophobicContact CE1-CG 4.27Å; F146-Y153 HydrophobicContact CE2-CD1 4.46Å; F146-Y153 AromaticContact CE2-CD2 3.26Å; F146-Y153 HydrophobicContact CE2-CD2 3.26Å; F146-Y153 AromaticContact CE2-CE2 3.75Å; F146-Y153 HydrophobicContact CE2-CE2 3.75Å; F146-Y153 AromaticContact CE2-CG 3.66Å; F146-Y153 HydrophobicContact CE2-CG 3.66Å; F146-Y153 HydrophobicContact CG-CD2 4.46Å; F146-Y153 HydrophobicContact CZ-CD1 4.26Å; F146-Y153 AromaticContact CZ-CD2 3.81Å; F146-Y153 HydrophobicContact CZ-CD2 3.81Å; F146-Y153 HydrophobicContact CZ-CE2 4.45Å; F146-Y153 AromaticContact CZ-CG 3.68Å; F146-Y153 HydrophobicContact CZ-CG 3.68Å; F146-Y153 PolarHBondContact N-O 2.89Å; F146-Y153 VanDerWaalsContact N-O 3.07Å; F146-Y153 PolarHBondContact O-N 3.45Å; D148-Y153 HydrophobicContact CB-CE2 4.17Å; D148-Y153 VanDerWaalsContact CG-CE2 3.49Å; D148-Y153 WeakPolarHBondContact OD2-CE2 3.44Å; D148-Y153 VanDerWaalsContact OD2-CZ 3.26Å; D148-Y153 PolarHBondContact OD2-OH 3.14Å; N151-Y153 HydrophobicContact CB-CD2 4.45Å; N151-Y153 HydrophobicContact CB-CE1 4.28Å; N151-Y153 HydrophobicContact CB-CE2 3.73Å; N151-Y153 PolarHBondContact ND2-OH 3.4Å; N151-Y153 WeakPolarHBondContact O-CE2 3.48Å
154	I	97.4	Very high	96.8	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	116.6	173	-54.2	168.1	0	0	0	108.3	A107 K108 I110 I124 I128 F142 Y145 I152 L156	A107-I154 CarbonylContact C-O 3.45Å; A107-I154 VanDerWaalsContact CA-O 3.28Å; A107-I154 WeakPolarHBondContact CA-O 3.43Å; K108-I154 HydrophobicContact CB-CB 4.26Å; K108-I154 PolarHBondContact N-O 3.49Å; K108-I154 PolarHBondContact O-N 2.92Å; I110-I154 HydrophobicContact CD1-CD1 4.18Å; I124-I154 HydrophobicContact CG2-CD1 4.32Å; I128-I154 HydrophobicContact CD1-CD1 4.09Å; I128-I154 HydrophobicContact CD1-CG1 4.27Å; I128-I154 HydrophobicContact CG1-CD1 3.75Å; I128-I154 HydrophobicContact CG1-CG1 4.08Å; F142-I154 HydrophobicContact CD2-CG2 4.09Å; F142-I154 HydrophobicContact CE2-CG2 3.43Å; F142-I154 VanDerWaalsContact CE2-CG2 3.43Å; F142-I154 HydrophobicContact CZ-CG2 4.01Å; Y145-I154 HydrophobicContact CD2-CG1 3.98Å; I152-I154 HydrophobicContact CG2-CG1 4.39Å; I154-L156 HydrophobicContact CG2-CD2 3.83Å; I154-L156 HydrophobicContact CG2-CG 4.12Å
155	L	97.6	Very high	96.8	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.7	-178.5	-71.1	83.5	0	0	0	110	Y79 Y105 Y143 H144 F146	Y79-L155 HydrophobicContact CD1-CD2 3.91Å; Y79-L155 HydrophobicContact CE1-CD2 3.5Å; Y105-L155 HydrophobicContact CD2-CD2 4.13Å; Y105-L155 HydrophobicContact CG-CD2 4.25Å; Y143-L155 WeakPolarHBondContact CB-O 3.22Å; Y143-L155 PolarHBondContact N-O 3.42Å; H144-L155 HydrophobicContact CB-CB 4.39Å; H144-L155 HydrophobicContact CB-CD1 4.44Å; H144-L155 PolarHBondContact N-O 2.87Å; H144-L155 PolarHBondContact O-N 3.18Å; F146-L155 HydrophobicContact CD1-CD1 3.92Å; F146-L155 HydrophobicContact CE1-CD1 3.57Å
156	L	97.9	Very high	96.7	Very high	13 Å²	13	48.7 Å²	48.7	7%	0.068	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	164.6	-174.7	-57.1	177.2	0	0	0	111.3	A106 K108 V140 Q141 F142 I154 Y158	A106-L156 PolarHBondContact N-O 2.99Å; A106-L156 WeakPolarHBondContact O-CB 3.23Å; A106-L156 PolarHBondContact O-N 3.3Å; K108-L156 HydrophobicContact CD-CD1 4.27Å; K108-L156 HydrophobicContact CG-CD1 4.39Å; V140-L156 HydrophobicContact CG1-CB 3.94Å; Q141-L156 CarbonylContact O-C 3.44Å; Q141-L156 WeakPolarHBondContact O-CA 3.48Å; F142-L156 HydrophobicContact CB-CD2 4.4Å; F142-L156 HydrophobicContact CD2-CD2 3.8Å; F142-L156 HydrophobicContact CE2-CD2 4.5Å; F142-L156 HydrophobicContact CG-CD2 4.33Å; I154-L156 HydrophobicContact CG2-CD2 3.83Å; I154-L156 HydrophobicContact CG2-CG 4.12Å; L156-Y158 PolarHBondContact O-N 2.92Å
157	E	98.1	Very high	96.7	Very high	30 Å²	30	48.5 Å²	48.5	14%	0.14	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	127.5	172.7	-168.1	179	173.6	0	0	112	V140 Q141 Y143 C159 K217	V140-E157 HydrophobicContact CG1-CB 4.07Å; Q141-E157 HydrophobicContact CB-CB 4.07Å; Q141-E157 PolarHBondContact N-OE2 2.8Å; Q141-E157 VanDerWaalsContact N-OE2 3.14Å; Q141-E157 PolarHBondContact O-N 3.23Å; Y143-E157 HydrophobicContact CE2-CB 4.05Å; E157-C159 PolarHBondContact O-N 2.74Å; E157-K217 WeakPolarHBondContact OE1-CE 3.37Å; E157-K217 IonicContact OE1-NZ 2.83Å; E157-K217 PolarHBondContact OE1-NZ 2.85Å; E157-K217 WeakPolarHBondContact OE2-CE 3.48Å; E157-K217 IonicContact OE2-NZ 3.19Å; E157-K217 PolarHBondContact OE2-NZ 3.19Å
158	Y	97.7	Very high	96.6	Very high	61 Å²	61	46.3 Å²	46.3	24%	0.239	22%	0.217	C	C	.	.			trans	-80.4	113.6	175.8	-179.9	-107.5	0	0	0	111.1	L85 E95 V104 A106 L156 S160	L85-Y158 HydrophobicContact CD1-CD2 4.27Å; L85-Y158 HydrophobicContact CD1-CE2 4.15Å; L85-Y158 HydrophobicContact CD2-CE2 4.08Å; E95-Y158 HydrophobicContact CG-CD2 4.36Å; E95-Y158 HydrophobicContact CG-CE2 3.68Å; E95-Y158 WeakPolarHBondContact OE1-CE2 3.5Å; E95-Y158 VanDerWaalsContact OE1-CZ 3.24Å; E95-Y158 PolarHBondContact OE1-OH 3.14Å; V104-Y158 HydrophobicContact CG1-CD1 4.32Å; V104-Y158 HydrophobicContact CG1-CD2 4.24Å; V104-Y158 HydrophobicContact CG1-CG 4.11Å; V104-Y158 WeakPolarHBondContact O-CB 3.48Å; A106-Y158 HydrophobicContact CB-CD2 4.49Å; L156-Y158 PolarHBondContact O-N 2.92Å; Y158-S160 VanDerWaalsContact CE1-CB 3.46Å
159	C	97.4	Very high	96.6	Very high	14 Å²	14	51.8 Å²	51.8	10%	0.095	24%	0.239	C	C	.	.			trans	-101.2	94.5	175.6	-68.6	0	0	0	0	110.5	E157 R161 R162 F209 I210	E157-C159 PolarHBondContact O-N 2.74Å; C159-R161 PolarHBondContact O-N 3.26Å; C159-R162 PolarHBondContact O-N 3.46Å; C159-R162 VanDerWaalsContact O-N 3.14Å; C159-F209 HydrophobicContact CB-CB 3.59Å; C159-F209 VanDerWaalsContact SG-CB 3.55Å; C159-I210 CarbonylContact C-O 3.44Å; C159-I210 WeakPolarHBondContact CB-O 3.42Å
160	S	95.8	Very high	96.4	Very high	45 Å²	45	44.4 Å²	44.4	32%	0.315	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.9	-169.7	63.2	0	0	0	0	114.7	Y158 R162 E212	Y158-S160 VanDerWaalsContact CE1-CB 3.46Å; S160-R162 VanDerWaalsContact C-N 3.29Å; S160-R162 PolarHBondContact O-N 3.44Å; S160-E212 WeakPolarHBondContact OG-CA 3.4Å; S160-E212 PolarHBondContact OG-N 3.08Å
161	R	95.5	Very high	96.3	Very high	69 Å²	69	38.6 Å²	38.6	26%	0.26	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	19	179.8	-54.8	-172.1	-174	-70.1	-4.4	113.2	C159 I210 N211 E212 M214	C159-R161 PolarHBondContact O-N 3.26Å; R161-I210 WeakPolarHBondContact CA-O 3.39Å; R161-I210 HydrophobicContact CB-CB 3.93Å; R161-I210 HydrophobicContact CB-CG2 3.89Å; R161-I210 WeakPolarHBondContact CB-O 3.46Å; R161-I210 PolarHBondContact N-O 3.28Å; R161-N211 WeakPolarHBondContact CD-O 3.35Å; R161-N211 VanDerWaalsContact CG-O 3.3Å; R161-N211 WeakPolarHBondContact CG-O 3.41Å; R161-N211 PolarHBondContact NE-O 3.36Å; R161-E212 PolarHBondContact NE-O 2.92Å; R161-E212 PolarHBondContact NH2-O 3.27Å; R161-M214 WeakPolarHBondContact CD-SD 3.11Å
162	R	95	Very high	96.1	Very high	161 Å²	161	44 Å²	44	61%	0.608	21%	0.211	S	C	*	.			trans	61	-135.8	176.3	-53.2	-178.1	178.7	173	-0	111.2	C159 S160 H166 F209 I210	C159-R162 PolarHBondContact O-N 3.46Å; C159-R162 VanDerWaalsContact O-N 3.14Å; S160-R162 VanDerWaalsContact C-N 3.29Å; S160-R162 PolarHBondContact O-N 3.44Å; R162-H166 HydrophobicContact CB-CB 4.24Å; R162-F209 CarbonylContact O-C 3.51Å; R162-F209 VanDerWaalsContact O-CA 3.29Å; R162-F209 WeakPolarHBondContact O-CA 3.41Å; R162-I210 PolarHBondContact O-N 3.47Å
163	S	97	Very high	95.9	Very high	5 Å²	5	47.2 Å²	47.2	4%	0.035	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-121.8	161.7	-177.5	65.8	0	0	0	0	112.9	A165 H166 I167 G206 F208	S163-A165 PolarHBondContact O-N 2.83Å; S163-A165 VanDerWaalsContact O-N 3.16Å; S163-H166 WeakPolarHBondContact O-CA 3.36Å; S163-H166 VanDerWaalsContact O-CB 3.3Å; S163-H166 WeakPolarHBondContact O-CB 2.97Å; S163-H166 PolarHBondContact O-N 3.04Å; S163-H166 PolarHBondContact OG-ND1 3.4Å; S163-I167 PolarHBondContact O-N 3.43Å; S163-G206 WeakPolarHBondContact CB-O 3.47Å; S163-F208 CarbonylContact C-O 3.48Å; S163-F208 WeakPolarHBondContact CA-O 3.47Å; S163-F208 WeakPolarHBondContact CB-O 3.36Å
164	M	97.9	Very high	95.8	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-52.7	-32.8	174.5	-89.5	-84	-84.6	0	0	113.5	H166 I167 L168 L174 Y182 L205 F208 I210 L216 M270	M164-H166 VanDerWaalsContact C-N 3.26Å; M164-H166 PolarHBondContact O-N 2.98Å; M164-I167 PolarHBondContact O-N 2.89Å; M164-L168 WeakPolarHBondContact O-CB 3.36Å; M164-L168 PolarHBondContact O-N 2.81Å; M164-L174 HydrophobicContact CE-CD1 4.24Å; M164-L174 HydrophobicContact SD-CD1 4.26Å; M164-Y182 HydrophobicContact CE-CD2 3.96Å; M164-Y182 HydrophobicContact CE-CG 4.03Å; M164-Y182 HydrophobicContact SD-CD1 4.27Å; M164-Y182 HydrophobicContact SD-CD2 3.73Å; M164-Y182 HydrophobicContact SD-CE1 4.41Å; M164-Y182 HydrophobicContact SD-CE2 3.89Å; M164-Y182 HydrophobicContact SD-CG 3.93Å; M164-L205 HydrophobicContact CB-CB 4.24Å; M164-L205 HydrophobicContact CB-CD2 4.15Å; M164-L205 WeakPolarHBondContact CB-O 3.31Å; M164-L205 HydrophobicContact CE-CD2 3.97Å; M164-L205 PolarHBondContact N-O 3.03Å; M164-F208 HydrophobicContact CB-CB 4.09Å; M164-F208 HydrophobicContact CG-CB 4Å; M164-F208 PolarHBondContact N-O 3.12Å; M164-I210 HydrophobicContact CG-CD1 4.06Å; M164-I210 HydrophobicContact CG-CG1 4.41Å; M164-L216 HydrophobicContact CG-CD1 4.21Å; M164-M270 HydrophobicContact CE-CE 3Å; M164-M270 HydrophobicContact CE-CG 3.77Å; M164-M270 HydrophobicContact CE-SD 3.31Å; M164-M270 WeakPolarHBondContact CE-SD 3.39Å
165	A	96.5	Very high	95.6	Very high	38 Å²	38	49 Å²	49	31%	0.314	24%	0.243	S	C	.	.	H	α-helix	trans	-60.3	-36	173.5	0	0	0	0	0	112.6	S163 K169 L205	S163-A165 PolarHBondContact O-N 2.83Å; S163-A165 VanDerWaalsContact O-N 3.16Å; A165-K169 VanDerWaalsContact O-CB 3.28Å; A165-K169 WeakPolarHBondContact O-CB 3.09Å; A165-K169 PolarHBondContact O-N 2.76Å; A165-L205 HydrophobicContact CB-CB 3.98Å; A165-L205 PolarHBondContact N-O 2.68Å
166	H	96.1	Very high	95.4	Very high	88 Å²	88	50.6 Å²	50.6	41%	0.407	25%	0.25	S	C	.	.	H	α-helix	trans	-70.7	-42.4	176.4	-65	86.2	0	0	0	111.5	R162 S163 M164 K169 A170	R162-H166 HydrophobicContact CB-CB 4.24Å; S163-H166 WeakPolarHBondContact O-CA 3.36Å; S163-H166 VanDerWaalsContact O-CB 3.3Å; S163-H166 WeakPolarHBondContact O-CB 2.97Å; S163-H166 PolarHBondContact O-N 3.04Å; S163-H166 PolarHBondContact OG-ND1 3.4Å; M164-H166 VanDerWaalsContact C-N 3.26Å; M164-H166 PolarHBondContact O-N 2.98Å; H166-K169 PolarHBondContact O-N 2.8Å; H166-A170 PolarHBondContact O-N 2.92Å
167	I	96.5	Very high	95.2	Very high	3 Å²	3	51 Å²	51	2%	0.015	25%	0.253	C	S	.	.	H	α-helix	trans	-60.7	-51.5	176	-64	178.3	0	0	0	109.8	S163 M164 K169 A170 R171 L174 I210 C345	S163-I167 PolarHBondContact O-N 3.43Å; M164-I167 PolarHBondContact O-N 2.89Å; I167-K169 VanDerWaalsContact C-N 3.29Å; I167-K169 PolarHBondContact O-N 2.9Å; I167-A170 PolarHBondContact O-N 3.5Å; I167-A170 VanDerWaalsContact O-N 3.09Å; I167-R171 HydrophobicContact CG2-CG 4.1Å; I167-R171 WeakPolarHBondContact O-CB 3.24Å; I167-R171 WeakPolarHBondContact O-CG 3.49Å; I167-R171 PolarHBondContact O-N 3Å; I167-L174 HydrophobicContact CG2-CD2 4.15Å; I167-I210 HydrophobicContact CD1-CG1 3.86Å; I167-C345 HydrophobicContact CG1-CB 4.34Å
168	L	96.3	Very high	95.2	Very high	15 Å²	15	49.5 Å²	49.5	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-34.3	-179.5	-164.9	72	0	0	0	111.9	M164 A170 R171 K172 L174 L205 T269	M164-L168 WeakPolarHBondContact O-CB 3.36Å; M164-L168 PolarHBondContact O-N 2.81Å; L168-A170 VanDerWaalsContact C-N 3.28Å; L168-A170 PolarHBondContact O-N 3.42Å; L168-R171 PolarHBondContact O-N 2.8Å; L168-K172 WeakPolarHBondContact CD1-O 3.04Å; L168-K172 WeakPolarHBondContact O-CA 3.46Å; L168-K172 PolarHBondContact O-N 3.45Å; L168-L174 HydrophobicContact CD1-CG 3.97Å; L168-L205 HydrophobicContact CB-CD1 4.41Å; L168-L205 HydrophobicContact CD2-CD1 3.35Å; L168-L205 HydrophobicContact CG-CD1 4.49Å; L168-T269 HydrophobicContact CD2-CG2 3.75Å; L168-T269 WeakPolarHBondContact CD2-O 3.17Å
169	K	93.9	Very high	95.2	Very high	160 Å²	160	46.6 Å²	46.6	70%	0.696	24%	0.235	S	C	*	.	H	α-helix	trans	-59.6	-39.7	173.7	-177.6	176.9	179.8	178.7	0	112.3	A165 H166 I167 K172	A165-K169 VanDerWaalsContact O-CB 3.28Å; A165-K169 WeakPolarHBondContact O-CB 3.09Å; A165-K169 PolarHBondContact O-N 2.76Å; H166-K169 PolarHBondContact O-N 2.8Å; I167-K169 VanDerWaalsContact C-N 3.29Å; I167-K169 PolarHBondContact O-N 2.9Å; K169-K172 PolarHBondContact O-NZ 3.02Å
170	A	91.4	Very high	95.3	Very high	53 Å²	53	46.6 Å²	46.6	44%	0.438	23%	0.233	S	C	.	.	H	α-helix	trans	-75.4	-44.6	177.5	0	0	0	0	0	112.1	H166 I167 L168	H166-A170 PolarHBondContact O-N 2.92Å; I167-A170 PolarHBondContact O-N 3.5Å; I167-A170 VanDerWaalsContact O-N 3.09Å; L168-A170 VanDerWaalsContact C-N 3.28Å; L168-A170 PolarHBondContact O-N 3.42Å
171	R	92.1	Very high	95.4	Very high	18 Å²	18	44.9 Å²	44.9	7%	0.068	22%	0.219	C	C	.	.	H	α-helix	trans	-85.7	-19.9	-172.9	-71.2	-69.3	-55.8	-73.1	-15.6	115.1	I167 L168 V173 L174 E178 C344 H346 T347 V348	I167-R171 HydrophobicContact CG2-CG 4.1Å; I167-R171 WeakPolarHBondContact O-CB 3.24Å; I167-R171 WeakPolarHBondContact O-CG 3.49Å; I167-R171 PolarHBondContact O-N 3Å; L168-R171 PolarHBondContact O-N 2.8Å; R171-V173 PolarHBondContact O-N 2.84Å; R171-L174 HydrophobicContact CB-CD2 3.97Å; R171-L174 HydrophobicContact CG-CD2 4.22Å; R171-E178 IonicContact CZ-OE1 3.57Å; R171-E178 IonicContact CZ-OE2 3.57Å; R171-E178 IonicContact NH1-OE1 3.31Å; R171-E178 PolarHBondContact NH1-OE1 3.35Å; R171-E178 IonicContact NH1-OE2 2.66Å; R171-E178 IonicContact NH2-OE1 3.46Å; R171-E178 PolarHBondContact NH2-OE1 2.83Å; R171-E178 IonicContact NH2-OE2 3.56Å; R171-E178 PolarHBondContact NH2-OE2 2.94Å; R171-C344 PolarHBondContact NH1-O 3.41Å; R171-H346 VanDerWaalsContact CD-O 3.31Å; R171-H346 WeakPolarHBondContact CD-O 3.34Å; R171-T347 VanDerWaalsContact CZ-O 3.26Å; R171-T347 PolarHBondContact NE-O 2.93Å; R171-T347 PolarHBondContact NH1-O 3.01Å; R171-V348 VanDerWaalsContact CZ-CA 3.48Å
172	K	92.7	Very high	95.6	Very high	137 Å²	137	41.6 Å²	41.6	60%	0.596	21%	0.207	S	C	*	.	S	Bend	trans	64.1	-50.4	-170.3	-51.7	-53.9	-177.3	-166.2	0	114.3	L168 K169 G273	L168-K172 WeakPolarHBondContact CD1-O 3.04Å; L168-K172 WeakPolarHBondContact O-CA 3.46Å; L168-K172 PolarHBondContact O-N 3.45Å; K169-K172 PolarHBondContact O-NZ 3.02Å; K172-G273 WeakPolarHBondContact O-CA 3.07Å
173	V	93.3	Very high	95.7	Very high	68 Å²	68	34 Å²	34	41%	0.412	18%	0.179	S	C	.	.	S	Bend	trans	-138.3	150.9	177.2	-63.6	0	0	0	0	109.7	R171	R171-V173 PolarHBondContact O-N 2.84Å
174	L	95.1	Very high	95.8	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.042	20%	0.195	C	C	.	.			trans	-105.5	152.1	174	-59.3	-176.2	0	0	0	110.4	M164 I167 L168 R171 E178 V179 Y182 M270	M164-L174 HydrophobicContact CE-CD1 4.24Å; M164-L174 HydrophobicContact SD-CD1 4.26Å; I167-L174 HydrophobicContact CG2-CD2 4.15Å; L168-L174 HydrophobicContact CD1-CG 3.97Å; R171-L174 HydrophobicContact CB-CD2 3.97Å; R171-L174 HydrophobicContact CG-CD2 4.22Å; L174-E178 HydrophobicContact CB-CB 4.22Å; L174-V179 HydrophobicContact CB-CG2 3.81Å; L174-Y182 HydrophobicContact CD1-CD2 4.12Å; L174-Y182 HydrophobicContact CD1-CE2 4.14Å; L174-M270 HydrophobicContact CD1-CB 4.28Å; L174-M270 HydrophobicContact CD1-CG 4.37Å; L174-M270 HydrophobicContact CD1-SD 4.46Å; L174-M270 PolarHBondContact N-O 3.27Å
175	T	93.7	Very high	95.8	Very high	41 Å²	41	39.2 Å²	39.2	25%	0.252	20%	0.198	S	C	.	.			trans	-77.4	155.3	173.6	61.4	0	0	0	0	110.6	P177 E178 V179 V348 F351	T175-P177 VanDerWaalsContact C-CD 3.47Å; T175-E178 WeakPolarHBondContact CB-OE2 3.17Å; T175-E178 PolarHBondContact N-OE2 2.83Å; T175-E178 WeakPolarHBondContact O-CB 3.34Å; T175-E178 PolarHBondContact O-N 3.25Å; T175-E178 VanDerWaalsContact OG1-CG 3.32Å; T175-E178 WeakPolarHBondContact OG1-CG 3.48Å; T175-E178 PolarHBondContact OG1-OE2 2.77Å; T175-V179 WeakPolarHBondContact O-CG2 3.48Å; T175-V179 PolarHBondContact O-N 2.62Å; T175-V348 HydrophobicContact CG2-CG1 3.72Å; T175-F351 WeakPolarHBondContact OG1-CE2 3.5Å
176	E	94.1	Very high	96	Very high	35 Å²	35	37.4 Å²	37.4	16%	0.164	18%	0.183	C	C	.	.	H	α-helix	trans	-55.5	-39.9	-179.5	-66	-166.2	177.2	0	0	115.1	E178 V179 R180 L271 L301 F330	E176-E178 VanDerWaalsContact C-N 3.3Å; E176-E178 PolarHBondContact O-N 3.1Å; E176-V179 PolarHBondContact O-N 3.07Å; E176-V179 VanDerWaalsContact O-N 3.14Å; E176-R180 PolarHBondContact O-N 2.93Å; E176-R180 IonicContact OE2-NH1 3Å; E176-R180 PolarHBondContact OE2-NH1 3.19Å; E176-R180 VanDerWaalsContact OE2-NH1 3.16Å; E176-L271 HydrophobicContact CG-CD2 3.93Å; E176-L301 WeakPolarHBondContact OE1-CB 3.34Å; E176-L301 WeakPolarHBondContact OE1-CD1 3.41Å; E176-L301 WeakPolarHBondContact OE1-CG 3.48Å; E176-F330 HydrophobicContact CB-CE2 4.3Å; E176-F330 HydrophobicContact CG-CE2 4.22Å
177	P	93.9	Very high	96.1	Very high	20 Å²	20	33.4 Å²	33.4	13%	0.13	16%	0.164	C	C	.	.	H	α-helix	trans	-62.7	-35.6	176.3	-21.5	32.8	0	0	0	113	T175 Y181 F335 P337 F351	T175-P177 VanDerWaalsContact C-CD 3.47Å; P177-Y181 WeakPolarHBondContact O-CB 3.48Å; P177-Y181 PolarHBondContact O-N 3.33Å; P177-F335 HydrophobicContact CB-CD1 4.04Å; P177-F335 WeakPolarHBondContact CB-O 3.37Å; P177-F335 HydrophobicContact CG-CD1 4.27Å; P177-P337 WeakPolarHBondContact O-CD 3.48Å; P177-F351 HydrophobicContact CB-CD2 3.76Å; P177-F351 HydrophobicContact CB-CE2 3.61Å; P177-F351 HydrophobicContact CB-CG 4.29Å; P177-F351 HydrophobicContact CB-CZ 4.06Å; P177-F351 HydrophobicContact CG-CD2 3.75Å; P177-F351 HydrophobicContact CG-CE2 3.95Å; P177-F351 HydrophobicContact CG-CG 4.45Å
178	E	97.6	Very high	96.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.2	-42.8	172.8	-64.8	172.2	104	0	0	111	R171 L174 T175 E176 Y181 Y182 L340 P349 F351	R171-E178 IonicContact CZ-OE1 3.57Å; R171-E178 IonicContact CZ-OE2 3.57Å; R171-E178 IonicContact NH1-OE1 3.31Å; R171-E178 PolarHBondContact NH1-OE1 3.35Å; R171-E178 IonicContact NH1-OE2 2.66Å; R171-E178 IonicContact NH2-OE1 3.46Å; R171-E178 PolarHBondContact NH2-OE1 2.83Å; R171-E178 IonicContact NH2-OE2 3.56Å; R171-E178 PolarHBondContact NH2-OE2 2.94Å; L174-E178 HydrophobicContact CB-CB 4.22Å; T175-E178 WeakPolarHBondContact CB-OE2 3.17Å; T175-E178 PolarHBondContact N-OE2 2.83Å; T175-E178 WeakPolarHBondContact O-CB 3.34Å; T175-E178 PolarHBondContact O-N 3.25Å; T175-E178 VanDerWaalsContact OG1-CG 3.32Å; T175-E178 WeakPolarHBondContact OG1-CG 3.48Å; T175-E178 PolarHBondContact OG1-OE2 2.77Å; E176-E178 VanDerWaalsContact C-N 3.3Å; E176-E178 PolarHBondContact O-N 3.1Å; E178-Y181 WeakPolarHBondContact O-CB 3.33Å; E178-Y181 PolarHBondContact O-N 3.49Å; E178-Y182 HydrophobicContact CB-CE2 4.38Å; E178-Y182 WeakPolarHBondContact O-CD2 3.43Å; E178-Y182 PolarHBondContact O-N 3.47Å; E178-L340 HydrophobicContact CB-CD1 4.37Å; E178-L340 HydrophobicContact CG-CD1 4.19Å; E178-L340 HydrophobicContact CG-CD2 4.29Å; E178-P349 VanDerWaalsContact CD-CD 3.47Å; E178-P349 HydrophobicContact CG-CG 3.73Å; E178-P349 WeakPolarHBondContact OE1-CD 3.18Å; E178-P349 WeakPolarHBondContact OE2-CD 3.09Å; E178-F351 HydrophobicContact CG-CE2 3.88Å; E178-F351 HydrophobicContact CG-CZ 3.63Å
179	V	98.5	Very high	96.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-43.7	178.7	175.5	0	0	0	0	111	L174 T175 E176 Y182 L183 M267 M270 L271 F330	L174-V179 HydrophobicContact CB-CG2 3.81Å; T175-V179 WeakPolarHBondContact O-CG2 3.48Å; T175-V179 PolarHBondContact O-N 2.62Å; E176-V179 PolarHBondContact O-N 3.07Å; E176-V179 VanDerWaalsContact O-N 3.14Å; V179-Y182 PolarHBondContact O-N 3.24Å; V179-L183 HydrophobicContact CG1-CD1 3.53Å; V179-L183 HydrophobicContact CG1-CG 4.08Å; V179-L183 WeakPolarHBondContact O-CB 3.42Å; V179-L183 WeakPolarHBondContact O-CG 3.39Å; V179-L183 PolarHBondContact O-N 3.29Å; V179-M267 HydrophobicContact CG1-CG 4.33Å; V179-M270 HydrophobicContact CB-SD 4.43Å; V179-M270 HydrophobicContact CG1-CB 4.43Å; V179-M270 HydrophobicContact CG1-SD 4.07Å; V179-M270 HydrophobicContact CG2-CB 3.67Å; V179-M270 HydrophobicContact CG2-SD 4.18Å; V179-L271 HydrophobicContact CB-CD2 4.1Å; V179-L271 HydrophobicContact CB-CG 4.48Å; V179-L271 HydrophobicContact CG1-CD1 4.48Å; V179-L271 HydrophobicContact CG1-CD2 4.28Å; V179-L271 HydrophobicContact CG1-CG 4.17Å; V179-L271 HydrophobicContact CG2-CD2 3.65Å; V179-L271 HydrophobicContact CG2-CG 3.98Å; V179-F330 HydrophobicContact CB-CZ 4.32Å; V179-F330 HydrophobicContact CG1-CE1 4.31Å; V179-F330 HydrophobicContact CG1-CZ 3.93Å
180	R	97.9	Very high	96.5	Very high	14 Å²	14	27 Å²	27	5%	0.053	14%	0.142	C	C	.	.	H	α-helix	trans	-58.5	-47.6	171.4	-76.2	-173.9	-82	-87.7	1.5	111.9	E176 Y182 L183 R184 F330 F331 F335 T336	E176-R180 PolarHBondContact O-N 2.93Å; E176-R180 IonicContact OE2-NH1 3Å; E176-R180 PolarHBondContact OE2-NH1 3.19Å; E176-R180 VanDerWaalsContact OE2-NH1 3.16Å; R180-Y182 PolarHBondContact O-N 2.85Å; R180-L183 PolarHBondContact O-N 3.07Å; R180-R184 VanDerWaalsContact O-CB 3.3Å; R180-R184 WeakPolarHBondContact O-CB 3.28Å; R180-R184 PolarHBondContact O-N 3.27Å; R180-F330 HydrophobicContact CB-CE1 4.42Å; R180-F330 WeakPolarHBondContact CD-O 3.49Å; R180-F330 HydrophobicContact CG-CD1 3.97Å; R180-F330 HydrophobicContact CG-CE1 3.39Å; R180-F330 HydrophobicContact CG-CE2 4.44Å; R180-F330 HydrophobicContact CG-CZ 3.66Å; R180-F330 PolarHBondContact NH1-O 2.95Å; R180-F331 HydrophobicContact CB-CD1 4.1Å; R180-F331 HydrophobicContact CB-CE1 4.15Å; R180-F331 HydrophobicContact CG-CD1 3.94Å; R180-F331 HydrophobicContact CG-CE1 4.2Å; R180-F335 PolarHBondContact NE-O 2.91Å; R180-F335 PolarHBondContact NH2-O 3.42Å; R180-T336 HydrophobicContact CB-CG2 3.99Å; R180-T336 VanDerWaalsContact CD-OG1 3.29Å; R180-T336 WeakPolarHBondContact CD-OG1 3.39Å
181	Y	98.3	Very high	96.9	Very high	9 Å²	9	27.6 Å²	27.6	4%	0.035	13%	0.134	C	C	.	.	H	α-helix	trans	-57.3	-46.7	180	176.4	-99.5	0	0	0	112.6	P177 E178 Q185 M214 P337 D338 L340	P177-Y181 WeakPolarHBondContact O-CB 3.48Å; P177-Y181 PolarHBondContact O-N 3.33Å; E178-Y181 WeakPolarHBondContact O-CB 3.33Å; E178-Y181 PolarHBondContact O-N 3.49Å; Y181-Q185 WeakPolarHBondContact O-CG 3.29Å; Y181-Q185 PolarHBondContact O-NE2 2.99Å; Y181-M214 WeakPolarHBondContact CE1-O 3.38Å; Y181-M214 PolarHBondContact OH-O 3.48Å; Y181-P337 HydrophobicContact CD2-CG 4.39Å; Y181-P337 VanDerWaalsContact CD2-O 3.23Å; Y181-P337 WeakPolarHBondContact CD2-O 3.23Å; Y181-P337 HydrophobicContact CG-CG 4.49Å; Y181-D338 WeakPolarHBondContact CE2-O 3.41Å; Y181-L340 HydrophobicContact CD1-CB 4.41Å; Y181-L340 HydrophobicContact CD1-CD1 3.24Å; Y181-L340 HydrophobicContact CD1-CG 3.5Å; Y181-L340 HydrophobicContact CD2-CG 4.36Å; Y181-L340 HydrophobicContact CE1-CB 4.12Å; Y181-L340 HydrophobicContact CE1-CD1 3.71Å; Y181-L340 HydrophobicContact CE1-CG 3.7Å; Y181-L340 HydrophobicContact CG-CD1 3.89Å; Y181-L340 HydrophobicContact CG-CG 3.82Å
182	Y	98.8	Very high	97.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-76.2	-43.4	179.3	-67.2	-56.9	0	0	0	112.6	M164 L174 E178 V179 R180 R184 Q185 I186 I210 M214 L216 L340	M164-Y182 HydrophobicContact CE-CD2 3.96Å; M164-Y182 HydrophobicContact CE-CG 4.03Å; M164-Y182 HydrophobicContact SD-CD1 4.27Å; M164-Y182 HydrophobicContact SD-CD2 3.73Å; M164-Y182 HydrophobicContact SD-CE1 4.41Å; M164-Y182 HydrophobicContact SD-CE2 3.89Å; M164-Y182 HydrophobicContact SD-CG 3.93Å; L174-Y182 HydrophobicContact CD1-CD2 4.12Å; L174-Y182 HydrophobicContact CD1-CE2 4.14Å; E178-Y182 HydrophobicContact CB-CE2 4.38Å; E178-Y182 WeakPolarHBondContact O-CD2 3.43Å; E178-Y182 PolarHBondContact O-N 3.47Å; V179-Y182 PolarHBondContact O-N 3.24Å; R180-Y182 PolarHBondContact O-N 2.85Å; Y182-R184 VanDerWaalsContact C-N 3.33Å; Y182-R184 PolarHBondContact O-N 3.47Å; Y182-Q185 PolarHBondContact O-N 3.19Å; Y182-Q185 VanDerWaalsContact O-N 3.14Å; Y182-I186 WeakPolarHBondContact O-CG1 3.38Å; Y182-I186 PolarHBondContact O-N 3.29Å; Y182-I210 HydrophobicContact CD1-CD1 4.11Å; Y182-I210 HydrophobicContact CE1-CD1 3.75Å; Y182-M214 WeakPolarHBondContact OH-CE 3.34Å; Y182-L216 HydrophobicContact CD1-CB 4.35Å; Y182-L216 HydrophobicContact CD1-CD1 3.88Å; Y182-L216 HydrophobicContact CG-CD1 4.3Å; Y182-L340 HydrophobicContact CE1-CD1 4.24Å; Y182-L340 HydrophobicContact CE2-CD1 3.77Å
183	L	98.7	Very high	97.5	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-62.2	-39.1	-179.7	-78.6	175.3	0	0	0	112.3	V179 R180 Q185 I186 V187 L263 V266 M267 M270 F330 F331	V179-L183 HydrophobicContact CG1-CD1 3.53Å; V179-L183 HydrophobicContact CG1-CG 4.08Å; V179-L183 WeakPolarHBondContact O-CB 3.42Å; V179-L183 WeakPolarHBondContact O-CG 3.39Å; V179-L183 PolarHBondContact O-N 3.29Å; R180-L183 PolarHBondContact O-N 3.07Å; L183-Q185 PolarHBondContact O-N 2.69Å; L183-I186 HydrophobicContact CD2-CD1 4.24Å; L183-I186 PolarHBondContact O-N 3.06Å; L183-V187 WeakPolarHBondContact O-CB 2.91Å; L183-V187 VanDerWaalsContact O-CG2 3.32Å; L183-V187 WeakPolarHBondContact O-CG2 3.46Å; L183-V187 PolarHBondContact O-N 2.95Å; L183-L263 HydrophobicContact CD2-CD1 3.47Å; L183-L263 VanDerWaalsContact CD2-CD1 3.47Å; L183-L263 HydrophobicContact CD2-CG 4.2Å; L183-V266 HydrophobicContact CD2-CG1 4.47Å; L183-M267 HydrophobicContact CD1-CB 3.83Å; L183-M267 HydrophobicContact CD1-CG 3.69Å; L183-M267 HydrophobicContact CD1-SD 3.79Å; L183-M267 HydrophobicContact CD2-CB 4.3Å; L183-M270 HydrophobicContact CD2-CE 4.14Å; L183-M270 HydrophobicContact CG-CE 4.35Å; L183-F330 HydrophobicContact CD1-CE1 4.19Å; L183-F331 HydrophobicContact CB-CE1 4.17Å; L183-F331 HydrophobicContact CB-CZ 3.75Å; L183-F331 HydrophobicContact CD1-CZ 4.39Å
184	R	98.5	Very high	97.7	Very high	102 Å²	102	20 Å²	20	39%	0.385	10%	0.096	S	C	.	.	H	α-helix	trans	-56.5	-39.9	175.4	-175.8	171.8	63.6	178.6	0.2	111.8	R180 Y182 S188 F331	R180-R184 VanDerWaalsContact O-CB 3.3Å; R180-R184 WeakPolarHBondContact O-CB 3.28Å; R180-R184 PolarHBondContact O-N 3.27Å; Y182-R184 VanDerWaalsContact C-N 3.33Å; Y182-R184 PolarHBondContact O-N 3.47Å; R184-S188 WeakPolarHBondContact O-CB 3.46Å; R184-S188 PolarHBondContact O-N 3.06Å; R184-F331 HydrophobicContact CB-CE1 4.22Å
185	Q	98.8	Very high	97.8	Very high	12 Å²	12	25.2 Å²	25.2	6%	0.056	12%	0.12	C	C	.	.	H	α-helix	trans	-74.6	-38.5	178.2	-64.9	178.1	71.7	0	0	112.3	H138 Y181 Y182 L183 S188 G189 L216	H138-Q185 WeakPolarHBondContact CB-O 3.42Å; H138-Q185 VanDerWaalsContact CE1-CG 3.41Å; H138-Q185 WeakPolarHBondContact CE1-CG 3.38Å; H138-Q185 PolarHBondContact CE1-OE1 3.09Å; H138-Q185 PolarHBondContact ND1-OE1 2.99Å; Y181-Q185 WeakPolarHBondContact O-CG 3.29Å; Y181-Q185 PolarHBondContact O-NE2 2.99Å; Y182-Q185 PolarHBondContact O-N 3.19Å; Y182-Q185 VanDerWaalsContact O-N 3.14Å; L183-Q185 PolarHBondContact O-N 2.69Å; Q185-S188 PolarHBondContact O-N 3Å; Q185-G189 PolarHBondContact O-N 3.02Å; Q185-L216 HydrophobicContact CB-CB 3.97Å; Q185-L216 HydrophobicContact CB-CD2 4.48Å
186	I	98.9	Very high	98	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.5	-48.4	174.1	-64.3	163.3	0	0	0	110	Y182 L183 S188 G189 L190 F208 L216 L263 V266 M270	Y182-I186 WeakPolarHBondContact O-CG1 3.38Å; Y182-I186 PolarHBondContact O-N 3.29Å; L183-I186 HydrophobicContact CD2-CD1 4.24Å; L183-I186 PolarHBondContact O-N 3.06Å; I186-S188 VanDerWaalsContact C-N 3.33Å; I186-S188 PolarHBondContact O-N 3.32Å; I186-G189 PolarHBondContact O-N 3.08Å; I186-L190 VanDerWaalsContact O-CB 3.31Å; I186-L190 WeakPolarHBondContact O-CB 3.44Å; I186-L190 PolarHBondContact O-N 2.81Å; I186-F208 HydrophobicContact CD1-CD1 4.42Å; I186-F208 HydrophobicContact CD1-CD2 3.83Å; I186-F208 HydrophobicContact CD1-CE1 4.38Å; I186-F208 HydrophobicContact CD1-CE2 3.81Å; I186-F208 HydrophobicContact CD1-CG 4.17Å; I186-F208 HydrophobicContact CD1-CZ 4.09Å; I186-F208 HydrophobicContact CG1-CD1 4.11Å; I186-F208 HydrophobicContact CG1-CD2 4.39Å; I186-F208 HydrophobicContact CG1-CE1 4.13Å; I186-F208 HydrophobicContact CG1-CE2 4.44Å; I186-F208 HydrophobicContact CG1-CG 4.25Å; I186-F208 HydrophobicContact CG1-CZ 4.3Å; I186-F208 HydrophobicContact CG2-CE1 3.82Å; I186-F208 HydrophobicContact CG2-CZ 3.87Å; I186-L216 HydrophobicContact CB-CD2 4.48Å; I186-L216 HydrophobicContact CD1-CD1 3.88Å; I186-L216 HydrophobicContact CG1-CD1 3.56Å; I186-L216 HydrophobicContact CG1-CD2 3.54Å; I186-L216 HydrophobicContact CG1-CG 4.23Å; I186-L263 HydrophobicContact CB-CD1 4.27Å; I186-L263 HydrophobicContact CG2-CD1 3.55Å; I186-V266 HydrophobicContact CD1-CG1 4.24Å; I186-M270 HydrophobicContact CD1-CE 3.52Å
187	V	98.8	Very high	98.1	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.024	15%	0.146	C	C	.	.	H	α-helix	trans	-60.9	-43.3	178.1	171.9	0	0	0	0	110.8	L183 G189 L190 K191 L263 L322 I325 I326	L183-V187 WeakPolarHBondContact O-CB 2.91Å; L183-V187 VanDerWaalsContact O-CG2 3.32Å; L183-V187 WeakPolarHBondContact O-CG2 3.46Å; L183-V187 PolarHBondContact O-N 2.95Å; V187-G189 PolarHBondContact O-N 2.74Å; V187-L190 PolarHBondContact O-N 3.29Å; V187-K191 VanDerWaalsContact O-CB 3.28Å; V187-K191 WeakPolarHBondContact O-CB 3.37Å; V187-K191 PolarHBondContact O-N 3.4Å; V187-L263 HydrophobicContact CG2-CD2 3.7Å; V187-L322 HydrophobicContact CG1-CB 4Å; V187-L322 HydrophobicContact CG1-CD2 4Å; V187-L322 HydrophobicContact CG2-CD2 4.45Å; V187-I325 HydrophobicContact CG2-CG2 3.92Å; V187-I326 HydrophobicContact CB-CG2 4.1Å; V187-I326 HydrophobicContact CG1-CG2 3.6Å
188	S	98.8	Very high	98.2	Very high	44 Å²	44	30.7 Å²	30.7	31%	0.308	14%	0.141	S	C	.	.	H	α-helix	trans	-59.8	-45.5	175.3	174.5	0	0	0	0	112.4	H136 H138 R184 Q185 I186 Y192	H136-S188 PolarHBondContact CE1-O 3.07Å; H136-S188 PolarHBondContact CE1-OG 3.18Å; H136-S188 VanDerWaalsContact CE1-OG 3.25Å; H138-S188 PolarHBondContact CD2-OG 3.4Å; R184-S188 WeakPolarHBondContact O-CB 3.46Å; R184-S188 PolarHBondContact O-N 3.06Å; Q185-S188 PolarHBondContact O-N 3Å; I186-S188 VanDerWaalsContact C-N 3.33Å; I186-S188 PolarHBondContact O-N 3.32Å; S188-Y192 PolarHBondContact O-N 3.4Å
189	G	98.8	Very high	98.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.2	-41.6	175.6	0	0	0	0	0	112.9	Q185 I186 V187 Y192 L193	Q185-G189 PolarHBondContact O-N 3.02Å; I186-G189 PolarHBondContact O-N 3.08Å; V187-G189 PolarHBondContact O-N 2.74Å; G189-Y192 PolarHBondContact O-N 2.56Å; G189-L193 WeakPolarHBondContact O-CG 3.3Å; G189-L193 PolarHBondContact O-N 2.92Å
190	L	98.6	Very high	98.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-70.9	-36.2	-178.7	-169.6	58.7	0	0	0	112.4	I186 V187 Y192 L193 H194 L203 D259 L322	I186-L190 VanDerWaalsContact O-CB 3.31Å; I186-L190 WeakPolarHBondContact O-CB 3.44Å; I186-L190 PolarHBondContact O-N 2.81Å; V187-L190 PolarHBondContact O-N 3.29Å; L190-Y192 VanDerWaalsContact C-N 3.34Å; L190-Y192 PolarHBondContact O-N 2.64Å; L190-L193 HydrophobicContact CD1-CD1 4.31Å; L190-L193 WeakPolarHBondContact O-CB 3.16Å; L190-L193 PolarHBondContact O-N 3.29Å; L190-L193 VanDerWaalsContact O-N 3.14Å; L190-H194 WeakPolarHBondContact CD1-NE2 3.43Å; L190-H194 PolarHBondContact O-N 2.97Å; L190-L203 HydrophobicContact CD1-CD1 3.93Å; L190-L203 HydrophobicContact CD2-CD1 3.74Å; L190-L203 HydrophobicContact CG-CD1 4.5Å; L190-D259 HydrophobicContact CD1-CB 4.15Å; L190-D259 HydrophobicContact CD2-CB 4.09Å; L190-L322 HydrophobicContact CB-CD1 4.35Å; L190-L322 HydrophobicContact CB-CD2 4.45Å; L190-L322 HydrophobicContact CD2-CD2 3.89Å; L190-L322 HydrophobicContact CG-CD1 4.18Å; L190-L322 HydrophobicContact CG-CD2 4.28Å
191	K	98.6	Very high	98	Very high	66 Å²	66	31.6 Å²	31.6	29%	0.287	15%	0.145	S	C	.	.	H	α-helix	trans	-58.1	-49.1	174.3	-179.5	171.7	178.4	165.9	0	110.6	V187 L193 H194 E195 L322 D323	V187-K191 VanDerWaalsContact O-CB 3.28Å; V187-K191 WeakPolarHBondContact O-CB 3.37Å; V187-K191 PolarHBondContact O-N 3.4Å; K191-L193 VanDerWaalsContact C-N 3.32Å; K191-L193 PolarHBondContact O-N 3.17Å; K191-H194 PolarHBondContact O-N 3.3Å; K191-E195 WeakPolarHBondContact CE-OE1 3.37Å; K191-E195 WeakPolarHBondContact CG-OE1 3.45Å; K191-E195 WeakPolarHBondContact O-CB 3.38Å; K191-E195 WeakPolarHBondContact O-CG 3.41Å; K191-E195 PolarHBondContact O-N 3Å; K191-L322 VanDerWaalsContact CA-CD1 3.43Å; K191-L322 HydrophobicContact CB-CD1 3.89Å; K191-D323 VanDerWaalsContact NZ-CG 3.34Å; K191-D323 IonicContact NZ-OD1 3.48Å; K191-D323 PolarHBondContact NZ-OD1 2.67Å; K191-D323 IonicContact NZ-OD2 3.65Å; K191-D323 PolarHBondContact NZ-OD2 3.06Å
192	Y	98.8	Very high	97.9	Very high	33 Å²	33	31.9 Å²	31.9	13%	0.129	15%	0.147	C	C	.	.	H	α-helix	trans	-56.8	-44.4	174.1	172	-100.9	0	0	0	112.4	L134 H135 H136 V139 S188 G189 L190 H194 E195 Q196	L134-Y192 HydrophobicContact CB-CE1 4.11Å; L134-Y192 HydrophobicContact CD2-CE1 3.82Å; H135-Y192 PolarHBondContact N-OH 2.88Å; H136-Y192 HydrophobicContact CB-CD1 3.42Å; H136-Y192 VanDerWaalsContact CB-CD1 3.42Å; H136-Y192 HydrophobicContact CB-CD2 4.02Å; H136-Y192 HydrophobicContact CB-CE1 3.66Å; H136-Y192 HydrophobicContact CB-CE2 4.25Å; H136-Y192 HydrophobicContact CB-CG 3.6Å; H136-Y192 AromaticContact CD2-CG 3.89Å; H136-Y192 AromaticContact CG-CD1 3.94Å; H136-Y192 AromaticContact CG-CG 3.69Å; V139-Y192 HydrophobicContact CG2-CD1 4.04Å; S188-Y192 PolarHBondContact O-N 3.4Å; G189-Y192 PolarHBondContact O-N 2.56Å; L190-Y192 VanDerWaalsContact C-N 3.34Å; L190-Y192 PolarHBondContact O-N 2.64Å; Y192-H194 PolarHBondContact O-N 3.37Å; Y192-E195 PolarHBondContact O-N 3Å; Y192-Q196 HydrophobicContact CD2-CG 4.42Å; Y192-Q196 HydrophobicContact CE1-CG 4.18Å; Y192-Q196 HydrophobicContact CE2-CG 3.96Å; Y192-Q196 WeakPolarHBondContact O-CG 3.29Å; Y192-Q196 PolarHBondContact O-N 3.46Å
193	L	98.4	Very high	97.9	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.9	-44.9	177.8	-65.8	178.7	0	0	0	112.3	L134 V139 G189 L190 K191 E195 Q196 E197 I198 H200 V218 F221	L134-L193 HydrophobicContact CD1-CD2 3.62Å; L134-L193 HydrophobicContact CD2-CD2 4.04Å; L134-L193 HydrophobicContact CG-CD2 4.44Å; V139-L193 HydrophobicContact CG2-CD2 4.22Å; V139-L193 HydrophobicContact CG2-CG 4.39Å; G189-L193 WeakPolarHBondContact O-CG 3.3Å; G189-L193 PolarHBondContact O-N 2.92Å; L190-L193 HydrophobicContact CD1-CD1 4.31Å; L190-L193 WeakPolarHBondContact O-CB 3.16Å; L190-L193 PolarHBondContact O-N 3.29Å; L190-L193 VanDerWaalsContact O-N 3.14Å; K191-L193 VanDerWaalsContact C-N 3.32Å; K191-L193 PolarHBondContact O-N 3.17Å; L193-E195 VanDerWaalsContact C-N 3.35Å; L193-Q196 CarbonylContact O-C 2.96Å; L193-Q196 WeakPolarHBondContact O-CA 3.44Å; L193-Q196 PolarHBondContact O-N 3.14Å; L193-Q196 VanDerWaalsContact O-N 3.14Å; L193-E197 PolarHBondContact O-N 2.77Å; L193-I198 CarbonylContact C-O 3.55Å; L193-I198 PolarHBondContact O-N 2.94Å; L193-H200 HydrophobicContact CD1-CB 4.32Å; L193-V218 HydrophobicContact CD1-CG1 4.42Å; L193-F221 HydrophobicContact CD1-CE1 3.83Å; L193-F221 HydrophobicContact CD1-CZ 4.16Å; L193-F221 HydrophobicContact CD2-CE1 3.6Å; L193-F221 HydrophobicContact CD2-CZ 3.92Å; L193-F221 HydrophobicContact CG-CE1 4.38Å
194	H	97.8	Very high	97.8	Very high	29 Å²	29	34 Å²	34	13%	0.134	16%	0.156	C	C	.	.	H	α-helix	trans	-67.1	-35.8	179.9	-69.6	-177.7	0	0	0	112	L190 K191 Y192 Q196 E197 D259	L190-H194 WeakPolarHBondContact CD1-NE2 3.43Å; L190-H194 PolarHBondContact O-N 2.97Å; K191-H194 PolarHBondContact O-N 3.3Å; Y192-H194 PolarHBondContact O-N 3.37Å; H194-Q196 VanDerWaalsContact C-N 3.28Å; H194-Q196 PolarHBondContact O-N 3.1Å; H194-E197 WeakPolarHBondContact O-CA 3.37Å; H194-E197 PolarHBondContact O-N 2.89Å; H194-D259 IonicContact CD2-OD2 3.72Å; H194-D259 IonicContact CE1-OD2 3.37Å; H194-D259 IonicContact NE2-OD2 3.68Å; H194-D259 PolarHBondContact NE2-OD2 3.48Å
195	E	97.6	Very high	97.7	Very high	118 Å²	118	29.6 Å²	29.6	55%	0.551	14%	0.14	S	C	*	.	H	α-helix	trans	-65.4	-29.2	171.4	-73.1	169.2	178.8	0	0	112.8	K191 Y192 L193 E197	K191-E195 WeakPolarHBondContact CE-OE1 3.37Å; K191-E195 WeakPolarHBondContact CG-OE1 3.45Å; K191-E195 WeakPolarHBondContact O-CB 3.38Å; K191-E195 WeakPolarHBondContact O-CG 3.41Å; K191-E195 PolarHBondContact O-N 3Å; Y192-E195 PolarHBondContact O-N 3Å; L193-E195 VanDerWaalsContact C-N 3.35Å; E195-E197 PolarHBondContact O-N 3.17Å
196	Q	97.6	Very high	97.5	Very high	88 Å²	88	30.2 Å²	30.2	41%	0.411	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	10.5	170.5	-62.5	-56.3	-70.3	0	0	112.9	L134 Y192 L193 H194 I198	L134-Q196 HydrophobicContact CD2-CB 4.49Å; L134-Q196 HydrophobicContact CD2-CG 4.38Å; Y192-Q196 HydrophobicContact CD2-CG 4.42Å; Y192-Q196 HydrophobicContact CE1-CG 4.18Å; Y192-Q196 HydrophobicContact CE2-CG 3.96Å; Y192-Q196 WeakPolarHBondContact O-CG 3.29Å; Y192-Q196 PolarHBondContact O-N 3.46Å; L193-Q196 CarbonylContact O-C 2.96Å; L193-Q196 WeakPolarHBondContact O-CA 3.44Å; L193-Q196 PolarHBondContact O-N 3.14Å; L193-Q196 VanDerWaalsContact O-N 3.14Å; H194-Q196 VanDerWaalsContact C-N 3.28Å; H194-Q196 PolarHBondContact O-N 3.1Å; Q196-I198 HydrophobicContact CB-CD1 4.15Å; Q196-I198 PolarHBondContact O-N 3.4Å
197	E	96.5	Very high	97.5	Very high	120 Å²	120	30.6 Å²	30.6	56%	0.561	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	35.4	-176.1	-56.1	-176.7	147.2	0	0	112.7	L193 H194 E195 R226 L227	L193-E197 PolarHBondContact O-N 2.77Å; H194-E197 WeakPolarHBondContact O-CA 3.37Å; H194-E197 PolarHBondContact O-N 2.89Å; E195-E197 PolarHBondContact O-N 3.17Å; E197-R226 CarbonylContact O-C 3.55Å; E197-R226 WeakPolarHBondContact O-CA 3.46Å; E197-L227 HydrophobicContact CB-CB 4.23Å; E197-L227 PolarHBondContact O-N 2.84Å
198	I	97.1	Very high	97.5	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.015	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.2	179.6	-70.8	163.1	0	0	0	109.9	L130 I133 L134 L193 Q196 A224	L130-I198 HydrophobicContact CD2-CD1 4.28Å; L130-I198 HydrophobicContact CD2-CG1 4.33Å; I133-I198 HydrophobicContact CD1-CD1 4.48Å; L134-I198 HydrophobicContact CD2-CD1 3.77Å; L193-I198 CarbonylContact C-O 3.55Å; L193-I198 PolarHBondContact O-N 2.94Å; Q196-I198 HydrophobicContact CB-CD1 4.15Å; Q196-I198 PolarHBondContact O-N 3.4Å; I198-A224 HydrophobicContact CG2-CB 4.35Å
199	L	96.5	Very high	97.4	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.026	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	133.6	170.9	-60.1	179.8	0	0	0	109.9	R201 A224 A225 L227 H254 C256	L199-R201 HydrophobicContact CB-CG 3.83Å; L199-A224 VanDerWaalsContact O-CA 3.25Å; L199-A224 WeakPolarHBondContact O-CA 3.12Å; L199-A224 WeakPolarHBondContact O-CB 3.32Å; L199-A225 PolarHBondContact N-O 3.17Å; L199-A225 PolarHBondContact O-N 3.45Å; L199-A225 VanDerWaalsContact O-N 3.14Å; L199-L227 HydrophobicContact CD1-CD1 3.86Å; L199-L227 HydrophobicContact CD2-CD1 4.18Å; L199-L227 HydrophobicContact CG-CB 4.48Å; L199-L227 HydrophobicContact CG-CD1 4.16Å; L199-H254 HydrophobicContact CD1-CB 4.29Å; L199-H254 WeakPolarHBondContact CD1-O 3.32Å; L199-C256 HydrophobicContact CD2-CB 4.32Å
200	H	97.3	Very high	97.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.148	C	C	.	.			trans	-78.1	-43.8	-179.8	-172.4	-79	0	0	0	112	L193 D202 L203 G219 D259	L193-H200 HydrophobicContact CD1-CB 4.32Å; H200-D202 PolarHBondContact CE1-O 3.27Å; H200-D202 VanDerWaalsContact ND1-C 3.3Å; H200-D202 PolarHBondContact ND1-N 2.95Å; H200-D202 PolarHBondContact O-N 3.4Å; H200-L203 HydrophobicContact CB-CD2 3.84Å; H200-L203 HydrophobicContact CB-CG 3.98Å; H200-L203 PolarHBondContact ND1-N 3.14Å; H200-G219 PolarHBondContact NE2-O 2.82Å; H200-G219 VanDerWaalsContact NE2-O 3.07Å; H200-D259 PolarHBondContact N-OD2 2.94Å
201	R	95.6	Very high	97.4	Very high	29 Å²	29	32 Å²	32	11%	0.109	15%	0.153	C	C	.	.	S	Bend	trans	65	-3.7	174.1	-55	178.5	65	-167.5	8.2	117.4	L199 L223 T236 C238 H254 D259	L199-R201 HydrophobicContact CB-CG 3.83Å; R201-L223 WeakPolarHBondContact CD-O 3.49Å; R201-T236 PolarHBondContact NH2-O 3.02Å; R201-C238 PolarHBondContact NH2-SG 3.46Å; R201-H254 HydrophobicContact CG-CB 4.24Å; R201-H254 PolarHBondContact NE-ND1 2.89Å; R201-H254 PolarHBondContact NH2-CD2 2.81Å; R201-H254 PolarHBondContact NH2-NE2 2.83Å; R201-D259 PolarHBondContact N-OD1 3.44Å
202	D	95.9	Very high	97.2	Very high	14 Å²	14	35.8 Å²	35.8	8%	0.075	17%	0.172	C	C	.	.			trans	-140.7	45.4	172.1	-162.1	37.6	0	0	0	112.9	H200 K204 N207 L223 T240	H200-D202 PolarHBondContact CE1-O 3.27Å; H200-D202 VanDerWaalsContact ND1-C 3.3Å; H200-D202 PolarHBondContact ND1-N 2.95Å; H200-D202 PolarHBondContact O-N 3.4Å; D202-K204 PolarHBondContact O-N 3.38Å; D202-K204 IonicContact OD1-NZ 3.61Å; D202-K204 WeakPolarHBondContact OD2-CE 3.28Å; D202-K204 IonicContact OD2-NZ 3.16Å; D202-K204 PolarHBondContact OD2-NZ 3.36Å; D202-N207 PolarHBondContact O-ND2 3.32Å; D202-N207 PolarHBondContact OD2-ND2 3.28Å; D202-L223 HydrophobicContact CB-CB 4.35Å; D202-L223 HydrophobicContact CB-CD1 3.96Å; D202-T240 PolarHBondContact OD1-N 3.33Å; D202-T240 PolarHBondContact OD1-OG1 3.33Å
203	L	97.9	Very high	97.1	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	19%	0.186	C	C	.	.			trans	-66.6	122.8	174.9	-66.1	174.7	0	0	0	110.3	L190 H200 F208 V218 D259 A262	L190-L203 HydrophobicContact CD1-CD1 3.93Å; L190-L203 HydrophobicContact CD2-CD1 3.74Å; L190-L203 HydrophobicContact CG-CD1 4.5Å; H200-L203 HydrophobicContact CB-CD2 3.84Å; H200-L203 HydrophobicContact CB-CG 3.98Å; H200-L203 PolarHBondContact ND1-N 3.14Å; L203-F208 HydrophobicContact CB-CZ 4.21Å; L203-F208 HydrophobicContact CD2-CE1 3.84Å; L203-F208 HydrophobicContact CD2-CZ 4.1Å; L203-V218 HydrophobicContact CD2-CG1 4.07Å; L203-D259 HydrophobicContact CD1-CB 3.65Å; L203-A262 HydrophobicContact CB-CB 3.86Å
204	K	96.3	Very high	97	Very high	45 Å²	45	36.7 Å²	36.7	20%	0.196	19%	0.186	C	C	.	.	S	Bend	trans	-162	162.5	178.4	67	-160.9	-175.2	-157.7	0	110.2	D202 G206 N207 F208 T240 Y243	D202-K204 PolarHBondContact O-N 3.38Å; D202-K204 IonicContact OD1-NZ 3.61Å; D202-K204 WeakPolarHBondContact OD2-CE 3.28Å; D202-K204 IonicContact OD2-NZ 3.16Å; D202-K204 PolarHBondContact OD2-NZ 3.36Å; K204-G206 PolarHBondContact O-N 3.32Å; K204-N207 WeakPolarHBondContact CE-ND2 3.41Å; K204-N207 WeakPolarHBondContact CE-OD1 3.42Å; K204-N207 HydrophobicContact CG-CB 4.13Å; K204-N207 PolarHBondContact O-N 3.13Å; K204-F208 WeakPolarHBondContact O-CD2 3.48Å; K204-F208 WeakPolarHBondContact O-CE2 3.13Å; K204-T240 HydrophobicContact CD-CG2 4.49Å; K204-T240 VanDerWaalsContact CD-OG1 3.27Å; K204-T240 WeakPolarHBondContact CD-OG1 3.46Å; K204-T240 PolarHBondContact NZ-OG1 2.83Å; K204-T240 VanDerWaalsContact NZ-OG1 3.13Å; K204-Y243 HydrophobicContact CB-CD2 4.13Å; K204-Y243 HydrophobicContact CB-CE1 4.28Å; K204-Y243 HydrophobicContact CB-CE2 3.86Å; K204-Y243 HydrophobicContact CB-CG 4.46Å
205	L	97.3	Very high	97.1	Very high	10 Å²	10	37.6 Å²	37.6	5%	0.052	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-55.8	-27.5	179.1	-60.6	175.9	0	0	0	114.1	M164 A165 L168 N207 F208 V266 T269 M270	M164-L205 HydrophobicContact CB-CB 4.24Å; M164-L205 HydrophobicContact CB-CD2 4.15Å; M164-L205 WeakPolarHBondContact CB-O 3.31Å; M164-L205 HydrophobicContact CE-CD2 3.97Å; M164-L205 PolarHBondContact N-O 3.03Å; A165-L205 HydrophobicContact CB-CB 3.98Å; A165-L205 PolarHBondContact N-O 2.68Å; L168-L205 HydrophobicContact CB-CD1 4.41Å; L168-L205 HydrophobicContact CD2-CD1 3.35Å; L168-L205 HydrophobicContact CG-CD1 4.49Å; L205-N207 VanDerWaalsContact C-N 3.26Å; L205-N207 PolarHBondContact O-N 3.21Å; L205-F208 HydrophobicContact CD2-CD2 4.5Å; L205-V266 HydrophobicContact CD2-CG1 4.06Å; L205-T269 HydrophobicContact CD1-CG2 3.6Å; L205-M270 HydrophobicContact CD2-CE 4.23Å; L205-M270 HydrophobicContact CD2-CG 3.95Å
206	G	95.6	Very high	97.1	Very high	25 Å²	25	32 Å²	32	26%	0.258	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-68.6	-23.3	176.7	0	0	0	0	0	114.2	S163 K204	S163-G206 WeakPolarHBondContact CB-O 3.47Å; K204-G206 PolarHBondContact O-N 3.32Å
207	N	97.3	Very high	97.2	Very high	7 Å²	7	28.6 Å²	28.6	4%	0.037	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-104.9	4.3	-172.8	-71	2.1	0	0	0	112.6	D202 K204 L205 G219 D220	D202-N207 PolarHBondContact O-ND2 3.32Å; D202-N207 PolarHBondContact OD2-ND2 3.28Å; K204-N207 WeakPolarHBondContact CE-ND2 3.41Å; K204-N207 WeakPolarHBondContact CE-OD1 3.42Å; K204-N207 HydrophobicContact CG-CB 4.13Å; K204-N207 PolarHBondContact O-N 3.13Å; L205-N207 VanDerWaalsContact C-N 3.26Å; L205-N207 PolarHBondContact O-N 3.21Å; N207-G219 WeakPolarHBondContact CB-O 3.41Å; N207-G219 PolarHBondContact O-N 3.36Å; N207-D220 HydrophobicContact CB-CB 4.46Å
208	F	98.6	Very high	97.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	103.2	169.8	-54	-46.2	0	0	0	109.3	S163 M164 I186 L203 K204 L205 L216 V218 V266	S163-F208 CarbonylContact C-O 3.48Å; S163-F208 WeakPolarHBondContact CA-O 3.47Å; S163-F208 WeakPolarHBondContact CB-O 3.36Å; M164-F208 HydrophobicContact CB-CB 4.09Å; M164-F208 HydrophobicContact CG-CB 4Å; M164-F208 PolarHBondContact N-O 3.12Å; I186-F208 HydrophobicContact CD1-CD1 4.42Å; I186-F208 HydrophobicContact CD1-CD2 3.83Å; I186-F208 HydrophobicContact CD1-CE1 4.38Å; I186-F208 HydrophobicContact CD1-CE2 3.81Å; I186-F208 HydrophobicContact CD1-CG 4.17Å; I186-F208 HydrophobicContact CD1-CZ 4.09Å; I186-F208 HydrophobicContact CG1-CD1 4.11Å; I186-F208 HydrophobicContact CG1-CD2 4.39Å; I186-F208 HydrophobicContact CG1-CE1 4.13Å; I186-F208 HydrophobicContact CG1-CE2 4.44Å; I186-F208 HydrophobicContact CG1-CG 4.25Å; I186-F208 HydrophobicContact CG1-CZ 4.3Å; I186-F208 HydrophobicContact CG2-CE1 3.82Å; I186-F208 HydrophobicContact CG2-CZ 3.87Å; L203-F208 HydrophobicContact CB-CZ 4.21Å; L203-F208 HydrophobicContact CD2-CE1 3.84Å; L203-F208 HydrophobicContact CD2-CZ 4.1Å; K204-F208 WeakPolarHBondContact O-CD2 3.48Å; K204-F208 WeakPolarHBondContact O-CE2 3.13Å; L205-F208 HydrophobicContact CD2-CD2 4.5Å; F208-L216 HydrophobicContact CB-CD1 3.88Å; F208-L216 HydrophobicContact CB-CD2 4.22Å; F208-L216 HydrophobicContact CB-CG 4.05Å; F208-L216 HydrophobicContact CD1-CD2 4.27Å; F208-L216 HydrophobicContact CG-CD1 4.38Å; F208-L216 HydrophobicContact CG-CD2 4.47Å; F208-V218 HydrophobicContact CD1-CG1 4.5Å; F208-V218 HydrophobicContact CD1-CG2 4.03Å; F208-V218 HydrophobicContact CE1-CG1 4.32Å; F208-V218 HydrophobicContact CE1-CG2 4.09Å; F208-V266 HydrophobicContact CD2-CG1 4.46Å; F208-V266 HydrophobicContact CE2-CB 4.32Å; F208-V266 HydrophobicContact CE2-CG1 3.69Å; F208-V266 HydrophobicContact CE2-CG2 3.7Å; F208-V266 HydrophobicContact CZ-CG2 4.24Å
209	F	98.4	Very high	97.2	Very high	59 Å²	59	22.8 Å²	22.8	26%	0.259	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	147.1	-176.6	-58.4	-83.4	0	0	0	111	V140 C159 R162 L216 K217	V140-F209 HydrophobicContact CG2-CB 4.48Å; V140-F209 HydrophobicContact CG2-CD2 3.74Å; V140-F209 HydrophobicContact CG2-CE2 4.46Å; V140-F209 HydrophobicContact CG2-CG 4.43Å; C159-F209 HydrophobicContact CB-CB 3.59Å; C159-F209 VanDerWaalsContact SG-CB 3.55Å; R162-F209 CarbonylContact O-C 3.51Å; R162-F209 VanDerWaalsContact O-CA 3.29Å; R162-F209 WeakPolarHBondContact O-CA 3.41Å; F209-L216 CarbonylContact O-C 3.43Å; F209-L216 WeakPolarHBondContact O-CA 3.12Å; F209-K217 HydrophobicContact CB-CB 4.45Å; F209-K217 PolarHBondContact N-O 2.81Å; F209-K217 PolarHBondContact O-N 2.99Å
210	I	98.6	Very high	97.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.9	-177.1	-52.1	-58.9	0	0	0	109.2	C159 R161 R162 M164 I167 Y182 M214 E215 L216	C159-I210 CarbonylContact C-O 3.44Å; C159-I210 WeakPolarHBondContact CB-O 3.42Å; R161-I210 WeakPolarHBondContact CA-O 3.39Å; R161-I210 HydrophobicContact CB-CB 3.93Å; R161-I210 HydrophobicContact CB-CG2 3.89Å; R161-I210 WeakPolarHBondContact CB-O 3.46Å; R161-I210 PolarHBondContact N-O 3.28Å; R162-I210 PolarHBondContact O-N 3.47Å; M164-I210 HydrophobicContact CG-CD1 4.06Å; M164-I210 HydrophobicContact CG-CG1 4.41Å; I167-I210 HydrophobicContact CD1-CG1 3.86Å; Y182-I210 HydrophobicContact CD1-CD1 4.11Å; Y182-I210 HydrophobicContact CE1-CD1 3.75Å; I210-M214 HydrophobicContact CG2-SD 4.05Å; I210-E215 WeakPolarHBondContact CA-O 3.49Å; I210-L216 HydrophobicContact CD1-CB 3.82Å; I210-L216 HydrophobicContact CD1-CD1 4.06Å; I210-L216 HydrophobicContact CD1-CG 3.96Å
211	N	97.1	Very high	96.9	Very high	19 Å²	19	25 Å²	25	10%	0.102	13%	0.132	C	C	.	.			trans	-81.4	-178.9	177.3	76.7	6.5	0	0	0	111.8	R161 A213 M214 E215	R161-N211 WeakPolarHBondContact CD-O 3.35Å; R161-N211 VanDerWaalsContact CG-O 3.3Å; R161-N211 WeakPolarHBondContact CG-O 3.41Å; R161-N211 PolarHBondContact NE-O 3.36Å; N211-A213 PolarHBondContact O-N 3.03Å; N211-A213 WeakPolarHBondContact OD1-CA 3.42Å; N211-A213 PolarHBondContact OD1-N 2.82Å; N211-M214 PolarHBondContact O-N 3.42Å; N211-M214 VanDerWaalsContact O-N 3.17Å; N211-M214 PolarHBondContact OD1-N 3.16Å; N211-E215 PolarHBondContact N-O 3.4Å; N211-E215 PolarHBondContact ND2-OE2 3.17Å; N211-E215 WeakPolarHBondContact OD1-CB 3.38Å; N211-E215 PolarHBondContact OD1-N 3.15Å; N211-E215 PolarHBondContact OD1-O 3.49Å
212	E	96.1	Very high	96.8	Very high	145 Å²	145	25 Å²	25	68%	0.678	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-31.4	-179.3	-172.1	168.5	-170.6	0	0	113.3	S160 R161 M214	S160-E212 WeakPolarHBondContact OG-CA 3.4Å; S160-E212 PolarHBondContact OG-N 3.08Å; R161-E212 PolarHBondContact NE-O 2.92Å; R161-E212 PolarHBondContact NH2-O 3.27Å; E212-M214 PolarHBondContact O-N 2.75Å
213	A	95.8	Very high	96.6	Very high	51 Å²	51	27.3 Å²	27.3	42%	0.421	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	10.4	179.2	0	0	0	0	0	113.9	N211 E215	N211-A213 PolarHBondContact O-N 3.03Å; N211-A213 WeakPolarHBondContact OD1-CA 3.42Å; N211-A213 PolarHBondContact OD1-N 2.82Å; A213-E215 HydrophobicContact CB-CG 4.12Å; A213-E215 PolarHBondContact O-N 2.61Å
214	M	97.1	Very high	96.4	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	16%	0.156	C	C	.	.	S	Bend	trans	65.7	17.9	-174.9	-66.4	-72.7	-69.7	0	0	114.3	R161 Y181 Y182 I210 N211 E212 L340 C344 C345	R161-M214 WeakPolarHBondContact CD-SD 3.11Å; Y181-M214 WeakPolarHBondContact CE1-O 3.38Å; Y181-M214 PolarHBondContact OH-O 3.48Å; Y182-M214 WeakPolarHBondContact OH-CE 3.34Å; I210-M214 HydrophobicContact CG2-SD 4.05Å; N211-M214 PolarHBondContact O-N 3.42Å; N211-M214 VanDerWaalsContact O-N 3.17Å; N211-M214 PolarHBondContact OD1-N 3.16Å; E212-M214 PolarHBondContact O-N 2.75Å; M214-L340 HydrophobicContact CB-CB 4.29Å; M214-L340 WeakPolarHBondContact CB-O 3.36Å; M214-L340 HydrophobicContact CE-CB 3.86Å; M214-L340 HydrophobicContact CE-CD1 4.43Å; M214-L340 WeakPolarHBondContact CG-O 3.46Å; M214-C344 HydrophobicContact CE-CB 4.01Å; M214-C345 VanDerWaalsContact SD-SG 3.63Å
215	E	98.3	Very high	96.4	Very high	47 Å²	47	25.6 Å²	25.6	22%	0.22	15%	0.148	C	C	.	.			trans	-85.7	140.6	175.7	-52.8	175.3	131.5	0	0	110.7	K137 I210 N211 A213	K137-E215 WeakPolarHBondContact CE-OE1 3.46Å; K137-E215 IonicContact NZ-OE1 3.71Å; K137-E215 PolarHBondContact NZ-OE1 3.32Å; I210-E215 WeakPolarHBondContact CA-O 3.49Å; N211-E215 PolarHBondContact N-O 3.4Å; N211-E215 PolarHBondContact ND2-OE2 3.17Å; N211-E215 WeakPolarHBondContact OD1-CB 3.38Å; N211-E215 PolarHBondContact OD1-N 3.15Å; N211-E215 PolarHBondContact OD1-O 3.49Å; A213-E215 HydrophobicContact CB-CG 4.12Å; A213-E215 PolarHBondContact O-N 2.61Å
216	L	98.7	Very high	96.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	139	-177.3	-174.7	151.9	0	0	0	111.4	H138 M164 Y182 Q185 I186 F208 F209 I210 V218	H138-L216 WeakPolarHBondContact CA-O 3.38Å; H138-L216 PolarHBondContact ND1-O 3.29Å; M164-L216 HydrophobicContact CG-CD1 4.21Å; Y182-L216 HydrophobicContact CD1-CB 4.35Å; Y182-L216 HydrophobicContact CD1-CD1 3.88Å; Y182-L216 HydrophobicContact CG-CD1 4.3Å; Q185-L216 HydrophobicContact CB-CB 3.97Å; Q185-L216 HydrophobicContact CB-CD2 4.48Å; I186-L216 HydrophobicContact CB-CD2 4.48Å; I186-L216 HydrophobicContact CD1-CD1 3.88Å; I186-L216 HydrophobicContact CG1-CD1 3.56Å; I186-L216 HydrophobicContact CG1-CD2 3.54Å; I186-L216 HydrophobicContact CG1-CG 4.23Å; F208-L216 HydrophobicContact CB-CD1 3.88Å; F208-L216 HydrophobicContact CB-CD2 4.22Å; F208-L216 HydrophobicContact CB-CG 4.05Å; F208-L216 HydrophobicContact CD1-CD2 4.27Å; F208-L216 HydrophobicContact CG-CD1 4.38Å; F208-L216 HydrophobicContact CG-CD2 4.47Å; F209-L216 CarbonylContact O-C 3.43Å; F209-L216 WeakPolarHBondContact O-CA 3.12Å; I210-L216 HydrophobicContact CD1-CB 3.82Å; I210-L216 HydrophobicContact CD1-CD1 4.06Å; I210-L216 HydrophobicContact CD1-CG 3.96Å; L216-V218 HydrophobicContact CD2-CG2 4.15Å
217	K	98.8	Very high	96	Very high	18 Å²	18	32.8 Å²	32.8	8%	0.078	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	119.6	177	-54.4	-65.5	-173.3	136.8	0	110.1	K137 V140 E157 F209	K137-K217 WeakPolarHBondContact O-CD 3.25Å; K137-K217 WeakPolarHBondContact O-CE 3.49Å; K137-K217 PolarHBondContact O-NZ 3.08Å; V140-K217 HydrophobicContact CG2-CB 3.61Å; E157-K217 WeakPolarHBondContact OE1-CE 3.37Å; E157-K217 IonicContact OE1-NZ 2.83Å; E157-K217 PolarHBondContact OE1-NZ 2.85Å; E157-K217 WeakPolarHBondContact OE2-CE 3.48Å; E157-K217 IonicContact OE2-NZ 3.19Å; E157-K217 PolarHBondContact OE2-NZ 3.19Å; F209-K217 HydrophobicContact CB-CB 4.45Å; F209-K217 PolarHBondContact N-O 2.81Å; F209-K217 PolarHBondContact O-N 2.99Å
218	V	98.8	Very high	95.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	129.8	170.6	-176.4	0	0	0	0	108.8	H138 V139 V140 L193 L203 F208 L216	H138-V218 PolarHBondContact O-N 3.48Å; V139-V218 WeakPolarHBondContact CA-O 3.46Å; V140-V218 PolarHBondContact N-O 3.34Å; L193-V218 HydrophobicContact CD1-CG1 4.42Å; L203-V218 HydrophobicContact CD2-CG1 4.07Å; F208-V218 HydrophobicContact CD1-CG1 4.5Å; F208-V218 HydrophobicContact CD1-CG2 4.03Å; F208-V218 HydrophobicContact CE1-CG1 4.32Å; F208-V218 HydrophobicContact CE1-CG2 4.09Å; L216-V218 HydrophobicContact CD2-CG2 4.15Å
219	G	96.4	Very high	94.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.208	C	C	.	.			trans	-149.4	-174.9	179.5	0	0	0	0	0	113.6	H200 N207	H200-G219 PolarHBondContact NE2-O 2.82Å; H200-G219 VanDerWaalsContact NE2-O 3.07Å; N207-G219 WeakPolarHBondContact CB-O 3.41Å; N207-G219 PolarHBondContact O-N 3.36Å
220	D	92.6	Very high	93.8	Very high	51 Å²	51	42.2 Å²	42.2	27%	0.273	23%	0.227	S	C	.	.			trans	68.6	73.9	-173.9	-158.9	20.3	0	0	0	114.4	K108 N207 G222	K108-D220 IonicContact NZ-OD1 3.84Å; K108-D220 PolarHBondContact NZ-OD1 3.17Å; N207-D220 HydrophobicContact CB-CB 4.46Å; D220-G222 PolarHBondContact O-N 2.69Å
221	F	95	Very high	92.9	Very high	1 Å²	1	50.2 Å²	50.2	0%	0.004	26%	0.264	C	S	.	.			trans	-84.1	16.2	-177.7	-68.2	-91.8	0	0	0	114.1	E127 H131 L134 V139 L193 L223 A224	E127-F221 HydrophobicContact CG-CB 4.32Å; H131-F221 HydrophobicContact CB-CB 4.26Å; H131-F221 HydrophobicContact CB-CD2 4.18Å; H131-F221 HydrophobicContact CB-CG 4.28Å; H131-F221 AromaticContact CD2-CD2 3.57Å; H131-F221 AromaticContact CD2-CE2 3.6Å; H131-F221 AromaticContact CE1-CD2 3.55Å; H131-F221 AromaticContact CE1-CE2 3.81Å; H131-F221 AromaticContact CG-CD2 3.49Å; H131-F221 VanDerWaalsContact CG-CD2 3.49Å; H131-F221 AromaticContact ND1-CD2 3.48Å; H131-F221 WeakPolarHBondContact ND1-CD2 3.43Å; H131-F221 AromaticContact NE2-CD2 3.62Å; H131-F221 AromaticContact NE2-CE2 3.46Å; H131-F221 WeakPolarHBondContact NE2-CE2 3.45Å; L134-F221 HydrophobicContact CD1-CD1 4.03Å; L134-F221 HydrophobicContact CD1-CE1 3.48Å; L134-F221 VanDerWaalsContact CD1-CE1 3.48Å; L134-F221 HydrophobicContact CD1-CE2 4.17Å; L134-F221 HydrophobicContact CD1-CZ 3.56Å; V139-F221 HydrophobicContact CG1-CE2 3.92Å; V139-F221 HydrophobicContact CG1-CZ 3.67Å; L193-F221 HydrophobicContact CD1-CE1 3.83Å; L193-F221 HydrophobicContact CD1-CZ 4.16Å; L193-F221 HydrophobicContact CD2-CE1 3.6Å; L193-F221 HydrophobicContact CD2-CZ 3.92Å; L193-F221 HydrophobicContact CG-CE1 4.38Å; F221-L223 PolarHBondContact O-N 3.2Å; F221-L223 VanDerWaalsContact O-N 3.09Å; F221-A224 HydrophobicContact CB-CB 3.91Å; F221-A224 HydrophobicContact CD1-CB 3.81Å; F221-A224 HydrophobicContact CG-CB 4.37Å; F221-A224 VanDerWaalsContact O-CB 3.26Å; F221-A224 WeakPolarHBondContact O-CB 3.33Å; F221-A224 PolarHBondContact O-N 3.4Å
222	G	91.5	Very high	92.1	Very high	29 Å²	29	55.5 Å²	55.5	30%	0.299	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.2	-175	0	0	0	0	0	115.4	E127 D220	E127-G222 WeakPolarHBondContact OE2-CA 3.19Å; D220-G222 PolarHBondContact O-N 2.69Å
223	L	92.1	Very high	91.5	Very high	62 Å²	62	51.2 Å²	51.2	33%	0.325	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	2.2	171.9	-64.4	-175.8	0	0	0	113.3	R201 D202 F221 C238	R201-L223 WeakPolarHBondContact CD-O 3.49Å; D202-L223 HydrophobicContact CB-CB 4.35Å; D202-L223 HydrophobicContact CB-CD1 3.96Å; F221-L223 PolarHBondContact O-N 3.2Å; F221-L223 VanDerWaalsContact O-N 3.09Å; L223-C238 HydrophobicContact CD1-CB 4.28Å; L223-C238 HydrophobicContact CD2-CB 4.4Å
224	A	95.3	Very high	90.6	Very high	8 Å²	8	54.5 Å²	54.5	7%	0.066	27%	0.267	C	S	.	.			trans	-65.4	151.7	-177.2	0	0	0	0	0	111.6	L130 I198 L199 F221	L130-A224 HydrophobicContact CD1-CB 4.17Å; I198-A224 HydrophobicContact CG2-CB 4.35Å; L199-A224 VanDerWaalsContact O-CA 3.25Å; L199-A224 WeakPolarHBondContact O-CA 3.12Å; L199-A224 WeakPolarHBondContact O-CB 3.32Å; F221-A224 HydrophobicContact CB-CB 3.91Å; F221-A224 HydrophobicContact CD1-CB 3.81Å; F221-A224 HydrophobicContact CG-CB 4.37Å; F221-A224 VanDerWaalsContact O-CB 3.26Å; F221-A224 WeakPolarHBondContact O-CB 3.33Å; F221-A224 PolarHBondContact O-N 3.4Å
225	A	94.3	Very high	90.1	Very high	4 Å²	4	62 Å²	62	3%	0.033	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	154.2	177.1	0	0	0	0	0	110.1	L199	L199-A225 PolarHBondContact N-O 3.17Å; L199-A225 PolarHBondContact O-N 3.45Å; L199-A225 VanDerWaalsContact O-N 3.14Å
226	R	94.1	Very high	89.5	Confident	129 Å²	129	64.5 Å²	64.5	49%	0.487	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	144.9	166.6	-62.4	-168.6	-175.5	-140.3	3.9	110.1	E129 L130 E197 E228	E129-R226 IonicContact OE1-NH2 3.08Å; L130-R226 HydrophobicContact CD2-CG 3.83Å; E197-R226 CarbonylContact O-C 3.55Å; E197-R226 WeakPolarHBondContact O-CA 3.46Å; R226-E228 PolarHBondContact O-N 2.66Å
227	L	90.5	Very high	89.1	Confident	57 Å²	57	67.9 Å²	67.9	30%	0.298	33%	0.331	S	S	.	.			trans	-62.3	129.4	171.9	-177.7	62.1	0	0	0	108.4	E197 L199	E197-L227 HydrophobicContact CB-CB 4.23Å; E197-L227 PolarHBondContact O-N 2.84Å; L199-L227 HydrophobicContact CD1-CD1 3.86Å; L199-L227 HydrophobicContact CD2-CD1 4.18Å; L199-L227 HydrophobicContact CG-CB 4.48Å; L199-L227 HydrophobicContact CG-CD1 4.16Å
228	E	87.2	Confident	88.5	Confident	51 Å²	51	68.2 Å²	68.2	24%	0.238	34%	0.335	C	S	.	.			trans	-112.7	145.2	177.1	-72.4	165.1	174.7	0	0	108.2	R226 H232 R233 R234	R226-E228 PolarHBondContact O-N 2.66Å; E228-H232 HydrophobicContact CB-CB 4.37Å; E228-R233 HydrophobicContact CB-CG 4.4Å; E228-R233 VanDerWaalsContact O-CG 3.23Å; E228-R233 WeakPolarHBondContact O-CG 3.23Å; E228-R233 PolarHBondContact O-NE 2.78Å; E228-R234 IonicContact OE1-CZ 3.27Å; E228-R234 IonicContact OE1-NE 3.69Å; E228-R234 PolarHBondContact OE1-NE 3.31Å; E228-R234 IonicContact OE1-NH2 2.72Å; E228-R234 WeakPolarHBondContact OE2-CG 3.35Å; E228-R234 PolarHBondContact OE2-N 2.9Å; E228-R234 VanDerWaalsContact OE2-N 3.08Å; E228-R234 IonicContact OE2-NE 2.93Å
229	P	83.8	Confident	88	Confident	90 Å²	90	69.4 Å²	69.4	58%	0.584	35%	0.347	S	S	*	.			trans	-54.4	151.2	170.5	-24.2	33.4	0	0	0	111.2	E231 H232 R233	P229-E231 PolarHBondContact O-N 3.42Å; P229-H232 CarbonylContact O-C 3.39Å; P229-H232 WeakPolarHBondContact O-CA 3.34Å; P229-H232 PolarHBondContact O-N 3.49Å; P229-R233 PolarHBondContact O-N 3.05Å
230	L	78.5	Confident	87.6	Confident	123 Å²	123	71.2 Å²	71.2	64%	0.644	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-49.6	-41	-171.6	-164.1	82.1	0	0	0	113.4	H232 R233	L230-H232 VanDerWaalsContact C-N 3.27Å; L230-H232 PolarHBondContact O-N 3.4Å; L230-R233 PolarHBondContact O-N 3.29Å
231	E	78.7	Confident	87.3	Confident	167 Å²	167	71 Å²	71	78%	0.78	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-63.8	-31.1	179.6	-59.4	-177.5	174.1	0	0	113.4	P229	P229-E231 PolarHBondContact O-N 3.42Å
232	H	81.3	Confident	87	Confident	131 Å²	131	72.7 Å²	72.7	61%	0.606	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-101.9	-6	-175.8	-63.8	89.5	0	0	0	113.1	E228 P229 L230 R234	E228-H232 HydrophobicContact CB-CB 4.37Å; P229-H232 CarbonylContact O-C 3.39Å; P229-H232 WeakPolarHBondContact O-CA 3.34Å; P229-H232 PolarHBondContact O-N 3.49Å; L230-H232 VanDerWaalsContact C-N 3.27Å; L230-H232 PolarHBondContact O-N 3.4Å; H232-R234 PolarHBondContact O-N 3.14Å
233	R	81.9	Confident	87.1	Confident	54 Å²	54	72.9 Å²	72.9	20%	0.204	36%	0.361	C	S	.	.			trans	-56.1	125.8	-176.3	-78.7	-176	-174.4	180	-3.2	112	E228 P229 L230 R235	E228-R233 HydrophobicContact CB-CG 4.4Å; E228-R233 VanDerWaalsContact O-CG 3.23Å; E228-R233 WeakPolarHBondContact O-CG 3.23Å; E228-R233 PolarHBondContact O-NE 2.78Å; P229-R233 PolarHBondContact O-N 3.05Å; L230-R233 PolarHBondContact O-N 3.29Å; R233-R235 WeakPolarHBondContact O-CG 3.45Å; R233-R235 PolarHBondContact O-N 3.31Å; R233-R235 VanDerWaalsContact O-N 3.12Å
234	R	78.6	Confident	87.3	Confident	120 Å²	120	70.4 Å²	70.4	45%	0.453	35%	0.348	S	S	.	.			trans	-53.9	115.5	169.1	-71.8	163.6	-166.9	-125.9	-3	112.4	E228 H232 T236 G253	E228-R234 IonicContact OE1-CZ 3.27Å; E228-R234 IonicContact OE1-NE 3.69Å; E228-R234 PolarHBondContact OE1-NE 3.31Å; E228-R234 IonicContact OE1-NH2 2.72Å; E228-R234 WeakPolarHBondContact OE2-CG 3.35Å; E228-R234 PolarHBondContact OE2-N 2.9Å; E228-R234 VanDerWaalsContact OE2-N 3.08Å; E228-R234 IonicContact OE2-NE 2.93Å; H232-R234 PolarHBondContact O-N 3.14Å; R234-T236 VanDerWaalsContact C-N 3.29Å; R234-T236 PolarHBondContact O-N 3.27Å; R234-G253 WeakPolarHBondContact O-CA 3.26Å
235	R	85.8	Confident	87.4	Confident	161 Å²	161	70.1 Å²	70.1	61%	0.608	35%	0.345	S	S	*	.			trans	-85.6	7.3	178.6	-57.4	-177.3	-177	174.2	1.2	114.4	R233 I237 K251	R233-R235 WeakPolarHBondContact O-CG 3.45Å; R233-R235 PolarHBondContact O-N 3.31Å; R233-R235 VanDerWaalsContact O-N 3.12Å; R235-I237 PolarHBondContact O-N 3.39Å; R235-K251 HydrophobicContact CB-CB 4.45Å; R235-K251 VanDerWaalsContact CD-O 3.28Å; R235-K251 WeakPolarHBondContact CD-O 3.47Å; R235-K251 VanDerWaalsContact CG-O 3.29Å; R235-K251 WeakPolarHBondContact CG-O 3.3Å
236	T	85.6	Confident	87.5	Confident	98 Å²	98	70 Å²	70	60%	0.601	35%	0.345	S	S	*	.			trans	-70.3	128.1	177.8	-48.7	0	0	0	0	110.6	R201 R234 C238 H254	R201-T236 PolarHBondContact NH2-O 3.02Å; R234-T236 VanDerWaalsContact C-N 3.29Å; R234-T236 PolarHBondContact O-N 3.27Å; T236-C238 PolarHBondContact O-N 3.23Å; T236-H254 PolarHBondContact O-NE2 3.31Å; T236-H254 VanDerWaalsContact O-NE2 3.08Å
237	I	89.4	Confident	87.6	Confident	72 Å²	72	64.4 Å²	64.4	37%	0.369	32%	0.324	S	S	.	.			trans	-75.1	116	172.8	-57.6	172.5	0	0	0	108.2	R235 L244 V248 L249	R235-I237 PolarHBondContact O-N 3.39Å; I237-L244 HydrophobicContact CG2-CD1 4.02Å; I237-V248 WeakPolarHBondContact CG1-O 3.36Å; I237-V248 HydrophobicContact CG2-CG1 4.23Å; I237-L249 HydrophobicContact CG2-CD2 4.37Å
238	C	87.4	Confident	87.8	Confident	25 Å²	25	61.8 Å²	61.8	17%	0.169	31%	0.31	C	S	.	.			trans	-144.3	160.9	172.8	70.6	0	0	0	0	109.9	R201 L223 T236 L244 H254	R201-C238 PolarHBondContact NH2-SG 3.46Å; L223-C238 HydrophobicContact CD1-CB 4.28Å; L223-C238 HydrophobicContact CD2-CB 4.4Å; T236-C238 PolarHBondContact O-N 3.23Å; C238-L244 WeakPolarHBondContact O-CD2 3.38Å; C238-H254 PolarHBondContact O-CE1 3.29Å
239	G	88	Confident	88.2	Confident	24 Å²	24	59.6 Å²	59.6	25%	0.247	30%	0.3	C	S	.	.	S	Bend	trans	113.6	176.5	-174.9	0	0	0	0	0	111.8
240	T	87.8	Confident	88.7	Confident	39 Å²	39	58.9 Å²	58.9	24%	0.239	29%	0.291	C	S	.	.			trans	-82.2	127.3	-179.1	-57.7	0	0	0	0	110.8	D202 K204 N242 Y243 L244	D202-T240 PolarHBondContact OD1-N 3.33Å; D202-T240 PolarHBondContact OD1-OG1 3.33Å; K204-T240 HydrophobicContact CD-CG2 4.49Å; K204-T240 VanDerWaalsContact CD-OG1 3.27Å; K204-T240 WeakPolarHBondContact CD-OG1 3.46Å; K204-T240 PolarHBondContact NZ-OG1 2.83Å; K204-T240 VanDerWaalsContact NZ-OG1 3.13Å; T240-N242 PolarHBondContact O-N 2.99Å; T240-N242 VanDerWaalsContact O-N 3.1Å; T240-Y243 HydrophobicContact CG2-CD2 3.83Å; T240-Y243 HydrophobicContact CG2-CE2 4.11Å; T240-Y243 PolarHBondContact O-N 2.84Å; T240-L244 PolarHBondContact O-N 3.2Å
241	P	86.4	Confident	89.3	Confident	46 Å²	46	59.4 Å²	59.4	30%	0.299	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-48.1	-44.1	-169.9	-35.3	37.5	0	0	0	117.5	Y243 L244 L282 Y286 I289	P241-Y243 PolarHBondContact O-N 3.38Å; P241-Y243 VanDerWaalsContact O-N 3.14Å; P241-L244 PolarHBondContact O-N 3.32Å; P241-L282 HydrophobicContact CB-CD1 3.53Å; P241-L282 HydrophobicContact CG-CD1 3.83Å; P241-Y286 HydrophobicContact CB-CE1 4.14Å; P241-I289 VanDerWaalsContact O-CD1 3.28Å; P241-I289 WeakPolarHBondContact O-CD1 3.48Å
242	N	88.2	Confident	89.8	Confident	37 Å²	37	56.9 Å²	56.9	20%	0.198	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-70.5	-5.2	-177.9	-77	-43.3	0	0	0	114.5	T240 P275	T240-N242 PolarHBondContact O-N 2.99Å; T240-N242 VanDerWaalsContact O-N 3.1Å; N242-P275 HydrophobicContact CB-CB 4.02Å; N242-P275 HydrophobicContact CB-CG 4.32Å
243	Y	94.7	Very high	90.2	Very high	33 Å²	33	50.7 Å²	50.7	13%	0.129	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-121.6	1.6	-179.2	-55	-92.5	0	0	0	111.9	K204 T240 P241 C265 V266	K204-Y243 HydrophobicContact CB-CD2 4.13Å; K204-Y243 HydrophobicContact CB-CE1 4.28Å; K204-Y243 HydrophobicContact CB-CE2 3.86Å; K204-Y243 HydrophobicContact CB-CG 4.46Å; T240-Y243 HydrophobicContact CG2-CD2 3.83Å; T240-Y243 HydrophobicContact CG2-CE2 4.11Å; T240-Y243 PolarHBondContact O-N 2.84Å; P241-Y243 PolarHBondContact O-N 3.38Å; P241-Y243 VanDerWaalsContact O-N 3.14Å; Y243-C265 HydrophobicContact CD1-CB 3.61Å; Y243-C265 HydrophobicContact CE1-CB 4.1Å; Y243-C265 HydrophobicContact CG-CB 4.49Å; Y243-V266 HydrophobicContact CD1-CG2 4.19Å; Y243-V266 HydrophobicContact CE1-CG2 3.88Å
244	L	96.1	Very high	90.7	Very high	9 Å²	9	48.8 Å²	48.8	5%	0.047	24%	0.241	C	C	.	.			trans	-68.8	138.4	176.1	-66.9	177.3	0	0	0	109.9	I237 C238 T240 P241 V248 L249 W261 Y286 I289	I237-L244 HydrophobicContact CG2-CD1 4.02Å; C238-L244 WeakPolarHBondContact O-CD2 3.38Å; T240-L244 PolarHBondContact O-N 3.2Å; P241-L244 PolarHBondContact O-N 3.32Å; L244-V248 HydrophobicContact CD2-CG1 4.17Å; L244-L249 HydrophobicContact CB-CD2 4.24Å; L244-L249 HydrophobicContact CB-CG 4.32Å; L244-L249 HydrophobicContact CD1-CD2 3.78Å; L244-W261 PolarHBondContact O-NE1 3.45Å; L244-Y286 HydrophobicContact CD1-CE1 4.07Å; L244-I289 WeakPolarHBondContact O-CG2 3.32Å
245	S	97.1	Very high	91.3	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.014	22%	0.22	C	C	.	.			trans	-87.5	159.4	178.3	65.5	0	0	0	0	112.7	E247 V248 L249 S258	S245-E247 VanDerWaalsContact C-N 3.34Å; S245-E247 VanDerWaalsContact CB-CD 3.45Å; S245-E247 WeakPolarHBondContact CB-OE1 3.16Å; S245-E247 WeakPolarHBondContact CB-OE2 3.3Å; S245-E247 PolarHBondContact O-N 2.86Å; S245-E247 PolarHBondContact OG-OE1 2.89Å; S245-E247 PolarHBondContact OG-OE2 2.98Å; S245-V248 PolarHBondContact O-N 3.48Å; S245-V248 VanDerWaalsContact OG-CG2 3.25Å; S245-V248 WeakPolarHBondContact OG-CG2 3.39Å; S245-L249 PolarHBondContact O-N 2.96Å; S245-L249 VanDerWaalsContact O-N 3.16Å; S245-S258 PolarHBondContact OG-OG 3.16Å
246	P	97.3	Very high	91.8	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.019	20%	0.201	C	C	.	.	H	α-helix	trans	-55.2	-45.6	179.6	-24.1	31.8	0	0	0	113.1	V248 L249 N250 W261 I289	P246-V248 VanDerWaalsContact C-N 3.33Å; P246-V248 PolarHBondContact O-N 2.83Å; P246-L249 PolarHBondContact O-N 2.93Å; P246-N250 WeakPolarHBondContact O-CB 3.47Å; P246-N250 PolarHBondContact O-N 3.02Å; P246-N250 PolarHBondContact O-ND2 3.31Å; P246-W261 HydrophobicContact CG-CE3 4.16Å; P246-W261 HydrophobicContact CG-CH2 3.56Å; P246-W261 HydrophobicContact CG-CZ2 4.07Å; P246-W261 HydrophobicContact CG-CZ3 3.61Å; P246-I289 HydrophobicContact CG-CG2 4.39Å; P246-I289 WeakPolarHBondContact CG-O 3.4Å
247	E	95.6	Very high	92.4	Very high	10 Å²	10	35 Å²	35	5%	0.047	19%	0.186	C	C	.	.	H	α-helix	trans	-64.2	-36.1	-178.1	67.3	-79.6	-178.6	0	0	112.4	S245 N250 K251 Q252 S258 P316 R319	S245-E247 VanDerWaalsContact C-N 3.34Å; S245-E247 VanDerWaalsContact CB-CD 3.45Å; S245-E247 WeakPolarHBondContact CB-OE1 3.16Å; S245-E247 WeakPolarHBondContact CB-OE2 3.3Å; S245-E247 PolarHBondContact O-N 2.86Å; S245-E247 PolarHBondContact OG-OE1 2.89Å; S245-E247 PolarHBondContact OG-OE2 2.98Å; E247-N250 CarbonylContact O-C 3.6Å; E247-N250 PolarHBondContact O-N 3.16Å; E247-K251 PolarHBondContact O-N 3.46Å; E247-K251 VanDerWaalsContact O-N 3.14Å; E247-Q252 HydrophobicContact CB-CB 4.11Å; E247-Q252 VanDerWaalsContact CB-OE1 3.22Å; E247-Q252 WeakPolarHBondContact O-CB 3.05Å; E247-Q252 PolarHBondContact O-N 2.99Å; E247-S258 WeakPolarHBondContact OE1-CA 3.35Å; E247-S258 WeakPolarHBondContact OE1-CB 3.33Å; E247-S258 PolarHBondContact OE1-OG 3.37Å; E247-P316 HydrophobicContact CB-CG 3.95Å; E247-P316 HydrophobicContact CG-CG 3.91Å; E247-R319 IonicContact OE1-CZ 3.72Å; E247-R319 IonicContact OE1-NH1 2.77Å; E247-R319 PolarHBondContact OE1-NH1 3.4Å; E247-R319 IonicContact OE1-NH2 3.38Å; E247-R319 IonicContact OE2-CZ 3Å; E247-R319 IonicContact OE2-NH1 3.79Å; E247-R319 PolarHBondContact OE2-NH1 3.36Å; E247-R319 IonicContact OE2-NH2 3.8Å; E247-R319 PolarHBondContact OE2-NH2 3.33Å
248	V	95.3	Very high	92.8	Very high	3 Å²	3	32 Å²	32	2%	0.018	17%	0.171	C	C	.	.	H	α-helix	trans	-65.7	-46.1	174.2	170.4	0	0	0	0	110.3	I237 L244 S245 P246 N250 K251 G253 H254	I237-V248 WeakPolarHBondContact CG1-O 3.36Å; I237-V248 HydrophobicContact CG2-CG1 4.23Å; L244-V248 HydrophobicContact CD2-CG1 4.17Å; S245-V248 PolarHBondContact O-N 3.48Å; S245-V248 VanDerWaalsContact OG-CG2 3.25Å; S245-V248 WeakPolarHBondContact OG-CG2 3.39Å; P246-V248 VanDerWaalsContact C-N 3.33Å; P246-V248 PolarHBondContact O-N 2.83Å; V248-N250 PolarHBondContact O-N 3.41Å; V248-K251 PolarHBondContact O-N 3.47Å; V248-G253 WeakPolarHBondContact CG2-O 3.45Å; V248-H254 WeakPolarHBondContact CG1-CE1 3.44Å; V248-H254 WeakPolarHBondContact CG1-NE2 3.27Å; V248-H254 HydrophobicContact CG2-CB 4.45Å; V248-H254 WeakPolarHBondContact CG2-CE1 3.37Å; V248-H254 WeakPolarHBondContact CG2-ND1 3.39Å
249	L	95.1	Very high	93.3	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-66.6	-23.2	176.8	-67.8	-174.8	0	0	0	113.4	I237 L244 S245 P246 K251 Y286 I289 R290	I237-L249 HydrophobicContact CG2-CD2 4.37Å; L244-L249 HydrophobicContact CB-CD2 4.24Å; L244-L249 HydrophobicContact CB-CG 4.32Å; L244-L249 HydrophobicContact CD1-CD2 3.78Å; S245-L249 PolarHBondContact O-N 2.96Å; S245-L249 VanDerWaalsContact O-N 3.16Å; P246-L249 PolarHBondContact O-N 2.93Å; L249-K251 VanDerWaalsContact C-N 3.31Å; L249-Y286 HydrophobicContact CD1-CD1 3.88Å; L249-Y286 HydrophobicContact CD1-CG 4.1Å; L249-Y286 HydrophobicContact CD2-CD1 3.92Å; L249-Y286 HydrophobicContact CD2-CE1 4.03Å; L249-Y286 HydrophobicContact CD2-CG 4.2Å; L249-I289 HydrophobicContact CD1-CB 3.74Å; L249-I289 HydrophobicContact CD1-CD1 4.17Å; L249-I289 HydrophobicContact CD1-CG2 3.47Å; L249-I289 VanDerWaalsContact CD1-CG2 3.47Å; L249-I289 HydrophobicContact CG-CG2 4.37Å; L249-R290 HydrophobicContact CB-CG 4.19Å; L249-R290 HydrophobicContact CD1-CG 4.28Å; L249-R290 PolarHBondContact O-NH2 3.14Å
250	N	93.8	Very high	93.8	Very high	75 Å²	75	30.1 Å²	30.1	40%	0.401	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	7.4	174.9	-65.1	-21.2	0	0	0	112.8	P246 E247 V248 Q252 R290	P246-N250 WeakPolarHBondContact O-CB 3.47Å; P246-N250 PolarHBondContact O-N 3.02Å; P246-N250 PolarHBondContact O-ND2 3.31Å; E247-N250 CarbonylContact O-C 3.6Å; E247-N250 PolarHBondContact O-N 3.16Å; V248-N250 PolarHBondContact O-N 3.41Å; N250-Q252 HydrophobicContact CB-CG 4.4Å; N250-Q252 PolarHBondContact O-N 3.14Å; N250-R290 WeakPolarHBondContact OD1-CD 3.21Å; N250-R290 PolarHBondContact OD1-NE 3.2Å; N250-R290 VanDerWaalsContact OD1-NE 3.11Å
251	K	91.6	Very high	94.3	Very high	135 Å²	135	28.2 Å²	28.2	59%	0.587	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	28.9	177.9	-55.2	-177.5	177.6	-179.1	0	114.1	R235 E247 V248 L249 G253	R235-K251 HydrophobicContact CB-CB 4.45Å; R235-K251 VanDerWaalsContact CD-O 3.28Å; R235-K251 WeakPolarHBondContact CD-O 3.47Å; R235-K251 VanDerWaalsContact CG-O 3.29Å; R235-K251 WeakPolarHBondContact CG-O 3.3Å; E247-K251 PolarHBondContact O-N 3.46Å; E247-K251 VanDerWaalsContact O-N 3.14Å; V248-K251 PolarHBondContact O-N 3.47Å; L249-K251 VanDerWaalsContact C-N 3.31Å; K251-G253 VanDerWaalsContact C-N 3.27Å
252	Q	90.2	Very high	94.9	Very high	113 Å²	113	26.3 Å²	26.3	53%	0.528	13%	0.13	S	C	.	.	S	Bend	trans	-82.8	-7.3	174.1	-66	172.7	-20	0	0	112.4	E247 N250	E247-Q252 HydrophobicContact CB-CB 4.11Å; E247-Q252 VanDerWaalsContact CB-OE1 3.22Å; E247-Q252 WeakPolarHBondContact O-CB 3.05Å; E247-Q252 PolarHBondContact O-N 2.99Å; N250-Q252 HydrophobicContact CB-CG 4.4Å; N250-Q252 PolarHBondContact O-N 3.14Å
253	G	89.4	Confident	95.4	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.01	12%	0.12	C	C	.	.			trans	99.7	-178	-179.1	0	0	0	0	0	112.5	R234 V248 K251	R234-G253 WeakPolarHBondContact O-CA 3.26Å; V248-G253 WeakPolarHBondContact CG2-O 3.45Å; K251-G253 VanDerWaalsContact C-N 3.27Å
254	H	90.8	Very high	95.6	Very high	14 Å²	14	23 Å²	23	7%	0.065	11%	0.114	C	C	.	.			trans	-107.7	133	177.3	-64.7	-112.9	0	0	0	108.8	L199 R201 T236 C238 V248	L199-H254 HydrophobicContact CD1-CB 4.29Å; L199-H254 WeakPolarHBondContact CD1-O 3.32Å; R201-H254 HydrophobicContact CG-CB 4.24Å; R201-H254 PolarHBondContact NE-ND1 2.89Å; R201-H254 PolarHBondContact NH2-CD2 2.81Å; R201-H254 PolarHBondContact NH2-NE2 2.83Å; T236-H254 PolarHBondContact O-NE2 3.31Å; T236-H254 VanDerWaalsContact O-NE2 3.08Å; C238-H254 PolarHBondContact O-CE1 3.29Å; V248-H254 WeakPolarHBondContact CG1-CE1 3.44Å; V248-H254 WeakPolarHBondContact CG1-NE2 3.27Å; V248-H254 HydrophobicContact CG2-CB 4.45Å; V248-H254 WeakPolarHBondContact CG2-CE1 3.37Å; V248-H254 WeakPolarHBondContact CG2-ND1 3.39Å
255	G	93.1	Very high	95.7	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.01	11%	0.112	C	C	.	.			trans	-126	-177.8	172.8	0	0	0	0	0	111.4	E257 S258	G255-E257 WeakPolarHBondContact CA-OE2 3.1Å; G255-E257 PolarHBondContact O-N 3.46Å; G255-S258 PolarHBondContact N-OG 3.02Å; G255-S258 WeakPolarHBondContact O-CB 3.24Å; G255-S258 PolarHBondContact O-N 3.24Å; G255-S258 VanDerWaalsContact O-N 3.09Å
256	C	96.3	Very high	95.8	Very high	30 Å²	30	22.4 Å²	22.4	20%	0.203	11%	0.111	C	C	.	.	H	α-helix	trans	-58.7	-35.2	174.4	-62.9	0	0	0	0	110.8	L199 S258 D259 I260	L199-C256 HydrophobicContact CD2-CB 4.32Å; C256-S258 PolarHBondContact O-N 3.12Å; C256-D259 WeakPolarHBondContact O-CB 3.44Å; C256-D259 PolarHBondContact O-N 3.46Å; C256-D259 VanDerWaalsContact O-N 3.08Å; C256-I260 PolarHBondContact O-N 3.14Å
257	E	97.1	Very high	95.8	Very high	60 Å²	60	22.3 Å²	22.3	28%	0.28	11%	0.11	S	C	.	.	H	α-helix	trans	-64.8	-27.4	179.5	-48	76.1	-163.5	0	0	111.8	G255 I260 W261 P316 R319	G255-E257 WeakPolarHBondContact CA-OE2 3.1Å; G255-E257 PolarHBondContact O-N 3.46Å; E257-I260 WeakPolarHBondContact O-CB 3.32Å; E257-I260 PolarHBondContact O-N 3.1Å; E257-W261 PolarHBondContact O-N 2.99Å; E257-P316 HydrophobicContact CB-CB 3.75Å; E257-P316 HydrophobicContact CG-CB 4.01Å; E257-R319 VanDerWaalsContact C-NH1 3.34Å; E257-R319 PolarHBondContact O-NH1 2.94Å
258	S	97	Very high	96	Very high	7 Å²	7	21.8 Å²	21.8	5%	0.049	11%	0.108	C	C	.	.	H	α-helix	trans	-70.1	-34.7	174.9	-51.6	0	0	0	0	111.5	S245 E247 G255 C256 W261 A262	S245-S258 PolarHBondContact OG-OG 3.16Å; E247-S258 WeakPolarHBondContact OE1-CA 3.35Å; E247-S258 WeakPolarHBondContact OE1-CB 3.33Å; E247-S258 PolarHBondContact OE1-OG 3.37Å; G255-S258 PolarHBondContact N-OG 3.02Å; G255-S258 WeakPolarHBondContact O-CB 3.24Å; G255-S258 PolarHBondContact O-N 3.24Å; G255-S258 VanDerWaalsContact O-N 3.09Å; C256-S258 PolarHBondContact O-N 3.12Å; S258-W261 PolarHBondContact O-N 3.5Å; S258-A262 PolarHBondContact O-N 3.21Å
259	D	98.1	Very high	96.1	Very high	3 Å²	3	22 Å²	22	2%	0.016	11%	0.109	C	C	.	.	H	α-helix	trans	-69.5	-35.6	171.3	-78.1	-20.3	0	0	0	110.8	L190 H194 H200 R201 L203 C256 A262 L263	L190-D259 HydrophobicContact CD1-CB 4.15Å; L190-D259 HydrophobicContact CD2-CB 4.09Å; H194-D259 IonicContact CD2-OD2 3.72Å; H194-D259 IonicContact CE1-OD2 3.37Å; H194-D259 IonicContact NE2-OD2 3.68Å; H194-D259 PolarHBondContact NE2-OD2 3.48Å; H200-D259 PolarHBondContact N-OD2 2.94Å; R201-D259 PolarHBondContact N-OD1 3.44Å; L203-D259 HydrophobicContact CD1-CB 3.65Å; C256-D259 WeakPolarHBondContact O-CB 3.44Å; C256-D259 PolarHBondContact O-N 3.46Å; C256-D259 VanDerWaalsContact O-N 3.08Å; D259-A262 PolarHBondContact O-N 2.9Å; D259-L263 PolarHBondContact O-N 3.31Å
260	I	98.7	Very high	96.3	Very high	7 Å²	7	21.8 Å²	21.8	4%	0.036	11%	0.108	C	C	.	.	H	α-helix	trans	-62.1	-42.3	173.1	-54.9	-53.8	0	0	0	111.6	C256 E257 A262 L263 G264 M311 R319 L322 I325	C256-I260 PolarHBondContact O-N 3.14Å; E257-I260 WeakPolarHBondContact O-CB 3.32Å; E257-I260 PolarHBondContact O-N 3.1Å; I260-A262 VanDerWaalsContact C-N 3.35Å; I260-A262 PolarHBondContact O-N 3.39Å; I260-L263 WeakPolarHBondContact O-CB 3.16Å; I260-L263 PolarHBondContact O-N 3.4Å; I260-L263 VanDerWaalsContact O-N 3.16Å; I260-G264 PolarHBondContact O-N 3.29Å; I260-M311 HydrophobicContact CG2-CB 4.15Å; I260-M311 HydrophobicContact CG2-CG 3.92Å; I260-M311 HydrophobicContact CG2-SD 4.43Å; I260-R319 HydrophobicContact CG2-CB 4.13Å; I260-L322 HydrophobicContact CD1-CD2 3.34Å; I260-L322 HydrophobicContact CD1-CG 3.78Å; I260-I325 HydrophobicContact CD1-CD1 4.04Å; I260-I325 HydrophobicContact CG2-CD1 3.97Å
261	W	98.7	Very high	96.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-58.4	-47.2	173.8	173.9	-84.2	0	0	0	112	L244 P246 E257 S258 L263 G264 C265 F277 I289 A292 L312	L244-W261 PolarHBondContact O-NE1 3.45Å; P246-W261 HydrophobicContact CG-CE3 4.16Å; P246-W261 HydrophobicContact CG-CH2 3.56Å; P246-W261 HydrophobicContact CG-CZ2 4.07Å; P246-W261 HydrophobicContact CG-CZ3 3.61Å; E257-W261 PolarHBondContact O-N 2.99Å; S258-W261 PolarHBondContact O-N 3.5Å; W261-L263 VanDerWaalsContact C-N 3.25Å; W261-L263 PolarHBondContact O-N 3.18Å; W261-G264 PolarHBondContact O-N 2.95Å; W261-G264 VanDerWaalsContact O-N 3.12Å; W261-C265 PolarHBondContact O-N 3.16Å; W261-F277 AromaticContact CE2-CE2 3.92Å; W261-F277 HydrophobicContact CH2-CE2 4.01Å; W261-F277 AromaticContact CH2-CZ 3.62Å; W261-F277 HydrophobicContact CH2-CZ 3.62Å; W261-F277 HydrophobicContact CZ2-CD2 4.22Å; W261-F277 HydrophobicContact CZ2-CE1 4.36Å; W261-F277 AromaticContact CZ2-CE2 3.26Å; W261-F277 HydrophobicContact CZ2-CE2 3.26Å; W261-F277 AromaticContact CZ2-CZ 3.35Å; W261-F277 HydrophobicContact CZ2-CZ 3.35Å; W261-I289 HydrophobicContact CZ2-CG2 3.94Å; W261-A292 HydrophobicContact CH2-CB 4.05Å; W261-A292 HydrophobicContact CZ3-CB 4.36Å; W261-L312 HydrophobicContact CD2-CD2 3.79Å; W261-L312 HydrophobicContact CE3-CB 4.42Å; W261-L312 HydrophobicContact CE3-CD2 3.98Å; W261-L312 HydrophobicContact CG-CD2 4.21Å; W261-L312 HydrophobicContact CZ2-CD2 4.38Å; W261-L312 HydrophobicContact CZ3-CB 4.22Å; W261-L312 HydrophobicContact CZ3-CD2 4.36Å; W261-L312 VanDerWaalsContact CZ3-O 3.23Å; W261-L312 WeakPolarHBondContact CZ3-O 3.28Å; W261-L312 WeakPolarHBondContact O-CD2 3.44Å
262	A	98.5	Very high	96.6	Very high	5 Å²	5	14 Å²	14	4%	0.041	7%	0.073	C	C	.	.	H	α-helix	trans	-62	-35.9	177.5	0	0	0	0	0	111.5	L203 S258 D259 I260 C265 V266	L203-A262 HydrophobicContact CB-CB 3.86Å; S258-A262 PolarHBondContact O-N 3.21Å; D259-A262 PolarHBondContact O-N 2.9Å; I260-A262 VanDerWaalsContact C-N 3.35Å; I260-A262 PolarHBondContact O-N 3.39Å; A262-C265 WeakPolarHBondContact O-CB 3.35Å; A262-C265 PolarHBondContact O-N 2.94Å; A262-V266 WeakPolarHBondContact O-CB 3.3Å; A262-V266 VanDerWaalsContact O-CG2 3.26Å; A262-V266 WeakPolarHBondContact O-CG2 3.38Å; A262-V266 PolarHBondContact O-N 3.3Å
263	L	98.7	Very high	96.8	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-63.3	-40.7	172.6	-173.2	62.9	0	0	0	112.5	L183 I186 V187 D259 I260 W261 C265 V266 M267 M311 L322 I325	L183-L263 HydrophobicContact CD2-CD1 3.47Å; L183-L263 VanDerWaalsContact CD2-CD1 3.47Å; L183-L263 HydrophobicContact CD2-CG 4.2Å; I186-L263 HydrophobicContact CB-CD1 4.27Å; I186-L263 HydrophobicContact CG2-CD1 3.55Å; V187-L263 HydrophobicContact CG2-CD2 3.7Å; D259-L263 PolarHBondContact O-N 3.31Å; I260-L263 WeakPolarHBondContact O-CB 3.16Å; I260-L263 PolarHBondContact O-N 3.4Å; I260-L263 VanDerWaalsContact O-N 3.16Å; W261-L263 VanDerWaalsContact C-N 3.25Å; W261-L263 PolarHBondContact O-N 3.18Å; L263-C265 PolarHBondContact O-N 3.44Å; L263-V266 WeakPolarHBondContact O-CB 3.39Å; L263-V266 PolarHBondContact O-N 2.77Å; L263-M267 PolarHBondContact O-N 3.11Å; L263-M311 HydrophobicContact CB-SD 4.18Å; L263-M311 HydrophobicContact CD2-SD 3.96Å; L263-M311 HydrophobicContact CG-SD 3.89Å; L263-L322 HydrophobicContact CD2-CD2 4.48Å; L263-I325 HydrophobicContact CD2-CD1 4.14Å
264	G	98.8	Very high	96.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-58.8	-45.2	171.8	0	0	0	0	0	112.5	I260 W261 V266 M267 Y268	I260-G264 PolarHBondContact O-N 3.29Å; W261-G264 PolarHBondContact O-N 2.95Å; W261-G264 VanDerWaalsContact O-N 3.12Å; G264-V266 VanDerWaalsContact C-N 3.32Å; G264-V266 PolarHBondContact O-N 3.32Å; G264-M267 PolarHBondContact O-N 3.21Å; G264-Y268 WeakPolarHBondContact O-CB 3.35Å; G264-Y268 PolarHBondContact O-N 3.41Å
265	C	98.6	Very high	97.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.4	-40.1	174.9	-72.5	0	0	0	0	111.9	Y243 W261 A262 L263 T269 P276	Y243-C265 HydrophobicContact CD1-CB 3.61Å; Y243-C265 HydrophobicContact CE1-CB 4.1Å; Y243-C265 HydrophobicContact CG-CB 4.49Å; W261-C265 PolarHBondContact O-N 3.16Å; A262-C265 WeakPolarHBondContact O-CB 3.35Å; A262-C265 PolarHBondContact O-N 2.94Å; L263-C265 PolarHBondContact O-N 3.44Å; C265-T269 WeakPolarHBondContact O-CB 3.25Å; C265-T269 PolarHBondContact O-N 3.12Å; C265-T269 PolarHBondContact O-OG1 3.2Å; C265-P276 HydrophobicContact CB-CG 4.16Å
266	V	98.7	Very high	97.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.3	-50.8	175.3	160.4	0	0	0	0	110.9	L183 I186 L205 F208 Y243 A262 L263 G264 Y268 T269 M270	L183-V266 HydrophobicContact CD2-CG1 4.47Å; I186-V266 HydrophobicContact CD1-CG1 4.24Å; L205-V266 HydrophobicContact CD2-CG1 4.06Å; F208-V266 HydrophobicContact CD2-CG1 4.46Å; F208-V266 HydrophobicContact CE2-CB 4.32Å; F208-V266 HydrophobicContact CE2-CG1 3.69Å; F208-V266 HydrophobicContact CE2-CG2 3.7Å; F208-V266 HydrophobicContact CZ-CG2 4.24Å; Y243-V266 HydrophobicContact CD1-CG2 4.19Å; Y243-V266 HydrophobicContact CE1-CG2 3.88Å; A262-V266 WeakPolarHBondContact O-CB 3.3Å; A262-V266 VanDerWaalsContact O-CG2 3.26Å; A262-V266 WeakPolarHBondContact O-CG2 3.38Å; A262-V266 PolarHBondContact O-N 3.3Å; L263-V266 WeakPolarHBondContact O-CB 3.39Å; L263-V266 PolarHBondContact O-N 2.77Å; G264-V266 VanDerWaalsContact C-N 3.32Å; G264-V266 PolarHBondContact O-N 3.32Å; V266-Y268 PolarHBondContact O-N 3.21Å; V266-T269 PolarHBondContact O-N 3.39Å; V266-T269 VanDerWaalsContact O-N 3.15Å; V266-M270 HydrophobicContact CG1-CE 3.29Å; V266-M270 WeakPolarHBondContact O-CG 3.24Å; V266-M270 PolarHBondContact O-N 3.38Å
267	M	98.6	Very high	97.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-57.2	-49.3	177.9	175.7	173	178.4	0	0	111.6	V179 L183 L263 G264 T269 M270 L271 A304 L307 I308 M311 F330	V179-M267 HydrophobicContact CG1-CG 4.33Å; L183-M267 HydrophobicContact CD1-CB 3.83Å; L183-M267 HydrophobicContact CD1-CG 3.69Å; L183-M267 HydrophobicContact CD1-SD 3.79Å; L183-M267 HydrophobicContact CD2-CB 4.3Å; L263-M267 PolarHBondContact O-N 3.11Å; G264-M267 PolarHBondContact O-N 3.21Å; M267-T269 VanDerWaalsContact C-N 3.29Å; M267-T269 PolarHBondContact O-N 2.92Å; M267-M270 PolarHBondContact O-N 2.9Å; M267-L271 HydrophobicContact CE-CD1 3.89Å; M267-L271 HydrophobicContact CG-CD1 3.99Å; M267-L271 PolarHBondContact O-N 3.49Å; M267-L271 VanDerWaalsContact O-N 3.17Å; M267-A304 HydrophobicContact CE-CB 4.06Å; M267-L307 HydrophobicContact CE-CB 4.19Å; M267-L307 HydrophobicContact CE-CD2 4.01Å; M267-L307 HydrophobicContact CE-CG 4.34Å; M267-L307 HydrophobicContact SD-CB 4.32Å; M267-L307 HydrophobicContact SD-CD2 3.79Å; M267-L307 HydrophobicContact SD-CG 3.94Å; M267-I308 HydrophobicContact CB-CG1 4.41Å; M267-I308 HydrophobicContact CE-CD1 4.34Å; M267-I308 HydrophobicContact CE-CG1 3.94Å; M267-I308 HydrophobicContact CG-CD1 4.23Å; M267-I308 HydrophobicContact CG-CG1 3.79Å; M267-I308 HydrophobicContact SD-CG1 3.74Å; M267-M311 HydrophobicContact CB-CE 3.98Å; M267-M311 HydrophobicContact CG-CE 4.41Å; M267-M311 HydrophobicContact SD-CE 3.55Å; M267-M311 VanDerWaalsContact SD-CE 3.55Å; M267-F330 HydrophobicContact CE-CD1 3.9Å; M267-F330 HydrophobicContact CE-CD2 3.88Å; M267-F330 HydrophobicContact CE-CE1 3.81Å; M267-F330 HydrophobicContact CE-CE2 3.79Å; M267-F330 HydrophobicContact CE-CG 3.94Å; M267-F330 HydrophobicContact CE-CZ 3.75Å
268	Y	98.6	Very high	96.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-55	-47	175.8	-178.5	-76.7	0	0	0	111	G264 V266 M270 L271 L272 R274 P276 Y294 T295 I308	G264-Y268 WeakPolarHBondContact O-CB 3.35Å; G264-Y268 PolarHBondContact O-N 3.41Å; V266-Y268 PolarHBondContact O-N 3.21Å; Y268-M270 PolarHBondContact O-N 3.11Å; Y268-L271 PolarHBondContact O-N 3.16Å; Y268-L272 HydrophobicContact CD1-CB 4.43Å; Y268-L272 HydrophobicContact CD1-CD1 3.99Å; Y268-L272 HydrophobicContact CD2-CD1 3.74Å; Y268-L272 HydrophobicContact CE1-CB 4.17Å; Y268-L272 HydrophobicContact CE1-CD1 3.58Å; Y268-L272 HydrophobicContact CE1-CG 4.49Å; Y268-L272 HydrophobicContact CE2-CD1 3.32Å; Y268-L272 HydrophobicContact CG-CD1 4.06Å; Y268-L272 WeakPolarHBondContact O-CB 3.44Å; Y268-L272 PolarHBondContact O-N 3.06Å; Y268-R274 WeakPolarHBondContact CD1-O 3.41Å; Y268-R274 WeakPolarHBondContact CE1-O 3.43Å; Y268-P276 HydrophobicContact CD1-CB 3.85Å; Y268-P276 HydrophobicContact CD1-CG 4.15Å; Y268-P276 HydrophobicContact CD2-CB 4.01Å; Y268-P276 VanDerWaalsContact CE1-CA 3.44Å; Y268-P276 HydrophobicContact CE1-CB 3.96Å; Y268-P276 HydrophobicContact CE2-CB 4.1Å; Y268-P276 HydrophobicContact CG-CB 3.89Å; Y268-P276 HydrophobicContact CG-CG 4.2Å; Y268-Y294 HydrophobicContact CD2-CD2 4.35Å; Y268-Y294 HydrophobicContact CD2-CE2 4.46Å; Y268-Y294 AromaticContact CE2-CD2 3.95Å; Y268-Y294 HydrophobicContact CE2-CD2 3.95Å; Y268-Y294 HydrophobicContact CE2-CE2 4.39Å; Y268-T295 WeakPolarHBondContact CE2-O 3.33Å; Y268-T295 PolarHBondContact OH-O 3.35Å; Y268-I308 HydrophobicContact CD2-CD1 4.45Å; Y268-I308 HydrophobicContact CD2-CG2 4.09Å
269	T	98.1	Very high	96.3	Very high	6 Å²	6	19 Å²	19	4%	0.037	10%	0.102	C	C	.	.	H	α-helix	trans	-67.1	-37.3	-177.7	-52.7	0	0	0	0	112.2	L168 L205 C265 V266 M267 G273 R274	L168-T269 HydrophobicContact CD2-CG2 3.75Å; L168-T269 WeakPolarHBondContact CD2-O 3.17Å; L205-T269 HydrophobicContact CD1-CG2 3.6Å; C265-T269 WeakPolarHBondContact O-CB 3.25Å; C265-T269 PolarHBondContact O-N 3.12Å; C265-T269 PolarHBondContact O-OG1 3.2Å; V266-T269 PolarHBondContact O-N 3.39Å; V266-T269 VanDerWaalsContact O-N 3.15Å; M267-T269 VanDerWaalsContact C-N 3.29Å; M267-T269 PolarHBondContact O-N 2.92Å; T269-G273 VanDerWaalsContact O-CA 3.23Å; T269-G273 WeakPolarHBondContact O-CA 3.25Å; T269-G273 PolarHBondContact O-N 2.95Å; T269-R274 WeakPolarHBondContact CA-O 3.42Å
270	M	98.2	Very high	95.7	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-63.1	-42.3	175.9	-65.2	-174.3	-161.3	0	0	112.1	M164 L174 V179 L183 I186 L205 V266 M267 Y268	M164-M270 HydrophobicContact CE-CE 3Å; M164-M270 HydrophobicContact CE-CG 3.77Å; M164-M270 HydrophobicContact CE-SD 3.31Å; M164-M270 WeakPolarHBondContact CE-SD 3.39Å; L174-M270 HydrophobicContact CD1-CB 4.28Å; L174-M270 HydrophobicContact CD1-CG 4.37Å; L174-M270 HydrophobicContact CD1-SD 4.46Å; L174-M270 PolarHBondContact N-O 3.27Å; V179-M270 HydrophobicContact CB-SD 4.43Å; V179-M270 HydrophobicContact CG1-CB 4.43Å; V179-M270 HydrophobicContact CG1-SD 4.07Å; V179-M270 HydrophobicContact CG2-CB 3.67Å; V179-M270 HydrophobicContact CG2-SD 4.18Å; L183-M270 HydrophobicContact CD2-CE 4.14Å; L183-M270 HydrophobicContact CG-CE 4.35Å; I186-M270 HydrophobicContact CD1-CE 3.52Å; L205-M270 HydrophobicContact CD2-CE 4.23Å; L205-M270 HydrophobicContact CD2-CG 3.95Å; V266-M270 HydrophobicContact CG1-CE 3.29Å; V266-M270 WeakPolarHBondContact O-CG 3.24Å; V266-M270 PolarHBondContact O-N 3.38Å; M267-M270 PolarHBondContact O-N 2.9Å; Y268-M270 PolarHBondContact O-N 3.11Å
271	L	97.1	Very high	95.2	Very high	16 Å²	16	29.1 Å²	29.1	8%	0.084	16%	0.161	C	C	.	.	H	α-helix	trans	-77.9	-33.4	-176.2	-70.2	167.3	0	0	0	113	E176 V179 M267 Y268 L300 A304 I308	E176-L271 HydrophobicContact CG-CD2 3.93Å; V179-L271 HydrophobicContact CB-CD2 4.1Å; V179-L271 HydrophobicContact CB-CG 4.48Å; V179-L271 HydrophobicContact CG1-CD1 4.48Å; V179-L271 HydrophobicContact CG1-CD2 4.28Å; V179-L271 HydrophobicContact CG1-CG 4.17Å; V179-L271 HydrophobicContact CG2-CD2 3.65Å; V179-L271 HydrophobicContact CG2-CG 3.98Å; M267-L271 HydrophobicContact CE-CD1 3.89Å; M267-L271 HydrophobicContact CG-CD1 3.99Å; M267-L271 PolarHBondContact O-N 3.49Å; M267-L271 VanDerWaalsContact O-N 3.17Å; Y268-L271 PolarHBondContact O-N 3.16Å; L271-L300 HydrophobicContact CB-CD2 3.91Å; L271-L300 HydrophobicContact CD1-CD2 4.29Å; L271-A304 HydrophobicContact CD1-CB 4.11Å; L271-I308 HydrophobicContact CD1-CD1 4.06Å
272	L	95.4	Very high	94.8	Very high	31 Å²	31	33.3 Å²	33.3	16%	0.162	18%	0.183	C	C	.	.	H	α-helix	trans	-113.9	-7.8	-171.3	-62.5	175.3	0	0	0	114.4	Y268 R274 P297 L300	Y268-L272 HydrophobicContact CD1-CB 4.43Å; Y268-L272 HydrophobicContact CD1-CD1 3.99Å; Y268-L272 HydrophobicContact CD2-CD1 3.74Å; Y268-L272 HydrophobicContact CE1-CB 4.17Å; Y268-L272 HydrophobicContact CE1-CD1 3.58Å; Y268-L272 HydrophobicContact CE1-CG 4.49Å; Y268-L272 HydrophobicContact CE2-CD1 3.32Å; Y268-L272 HydrophobicContact CG-CD1 4.06Å; Y268-L272 WeakPolarHBondContact O-CB 3.44Å; Y268-L272 PolarHBondContact O-N 3.06Å; L272-R274 PolarHBondContact O-N 3.1Å; L272-P297 HydrophobicContact CD1-CG 3.77Å; L272-P297 HydrophobicContact CD2-CB 4.35Å; L272-P297 HydrophobicContact CD2-CG 3.8Å; L272-P297 HydrophobicContact CG-CG 4.43Å; L272-L300 HydrophobicContact CD1-CD1 3.88Å; L272-L300 HydrophobicContact CD2-CD1 4.05Å; L272-L300 HydrophobicContact CD2-CD2 3.88Å; L272-L300 HydrophobicContact CD2-CG 3.93Å; L272-L300 HydrophobicContact CG-CD1 4.09Å; L272-L300 HydrophobicContact CG-CD2 4.38Å; L272-L300 HydrophobicContact CG-CG 4.48Å
273	G	93.9	Very high	94.5	Very high	34 Å²	34	41.6 Å²	41.6	35%	0.351	22%	0.218	S	C	.	.	S	Bend	trans	75.9	0.8	175.8	0	0	0	0	0	115.4	K172 T269	K172-G273 WeakPolarHBondContact O-CA 3.07Å; T269-G273 VanDerWaalsContact O-CA 3.23Å; T269-G273 WeakPolarHBondContact O-CA 3.25Å; T269-G273 PolarHBondContact O-N 2.95Å
274	R	92.5	Very high	94.2	Very high	105 Å²	105	43.5 Å²	43.5	40%	0.396	23%	0.227	S	C	.	.	S	Bend	trans	-142.2	153.5	179.4	63.5	-177	177.9	91.5	-0.1	111	Y268 T269 L272	Y268-R274 WeakPolarHBondContact CD1-O 3.41Å; Y268-R274 WeakPolarHBondContact CE1-O 3.43Å; T269-R274 WeakPolarHBondContact CA-O 3.42Å; L272-R274 PolarHBondContact O-N 3.1Å
275	P	94.8	Very high	93.9	Very high	14 Å²	14	43.8 Å²	43.8	9%	0.091	23%	0.229	C	C	.	.			trans	-67.9	155.7	177.1	-9.1	24.8	0	0	0	112.2	N242 F277 E278	N242-P275 HydrophobicContact CB-CB 4.02Å; N242-P275 HydrophobicContact CB-CG 4.32Å; P275-F277 PolarHBondContact O-N 3.4Å; P275-E278 HydrophobicContact CB-CB 4.13Å; P275-E278 WeakPolarHBondContact CD-OE2 3.45Å; P275-E278 HydrophobicContact CG-CB 3.91Å
276	P	96.3	Very high	93.7	Very high	9 Å²	9	46.5 Å²	46.5	6%	0.058	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-32.3	179.4	22.4	-29.6	0	0	0	113.8	C265 Y268 Y294 L312	C265-P276 HydrophobicContact CB-CG 4.16Å; Y268-P276 HydrophobicContact CD1-CB 3.85Å; Y268-P276 HydrophobicContact CD1-CG 4.15Å; Y268-P276 HydrophobicContact CD2-CB 4.01Å; Y268-P276 VanDerWaalsContact CE1-CA 3.44Å; Y268-P276 HydrophobicContact CE1-CB 3.96Å; Y268-P276 HydrophobicContact CE2-CB 4.1Å; Y268-P276 HydrophobicContact CG-CB 3.89Å; Y268-P276 HydrophobicContact CG-CG 4.2Å; P276-Y294 HydrophobicContact CB-CD2 4.2Å; P276-Y294 HydrophobicContact CB-CG 4.08Å; P276-Y294 WeakPolarHBondContact O-CB 3.34Å; P276-L312 HydrophobicContact CB-CD1 4.35Å; P276-L312 HydrophobicContact CG-CD1 4.23Å
277	F	95.2	Very high	93.6	Very high	2 Å²	2	52 Å²	52	1%	0.009	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	14.5	-172.9	-52.3	-72.4	0	0	0	114	W261 P275 T279 T285 C288 I289 Y294	W261-F277 AromaticContact CE2-CE2 3.92Å; W261-F277 HydrophobicContact CH2-CE2 4.01Å; W261-F277 AromaticContact CH2-CZ 3.62Å; W261-F277 HydrophobicContact CH2-CZ 3.62Å; W261-F277 HydrophobicContact CZ2-CD2 4.22Å; W261-F277 HydrophobicContact CZ2-CE1 4.36Å; W261-F277 AromaticContact CZ2-CE2 3.26Å; W261-F277 HydrophobicContact CZ2-CE2 3.26Å; W261-F277 AromaticContact CZ2-CZ 3.35Å; W261-F277 HydrophobicContact CZ2-CZ 3.35Å; P275-F277 PolarHBondContact O-N 3.4Å; F277-T279 PolarHBondContact O-N 3.26Å; F277-T285 HydrophobicContact CB-CG2 4.42Å; F277-T285 WeakPolarHBondContact O-CG2 3.28Å; F277-C288 HydrophobicContact CD1-CB 4.04Å; F277-I289 HydrophobicContact CB-CD1 4.39Å; F277-I289 HydrophobicContact CB-CG1 3.75Å; F277-I289 HydrophobicContact CD1-CG1 4.13Å; F277-I289 HydrophobicContact CD2-CG1 3.77Å; F277-I289 HydrophobicContact CE2-CG1 4.45Å; F277-I289 HydrophobicContact CG-CG1 3.61Å; F277-Y294 AromaticContact CE1-CD1 3.65Å; F277-Y294 HydrophobicContact CE1-CD1 3.65Å; F277-Y294 HydrophobicContact CE1-CG 4.15Å; F277-Y294 AromaticContact CZ-CD1 3.7Å; F277-Y294 HydrophobicContact CZ-CD1 3.7Å; F277-Y294 HydrophobicContact CZ-CE1 4.37Å; F277-Y294 HydrophobicContact CZ-CG 4.34Å
278	E	86.9	Confident	93.4	Very high	116 Å²	116	52.6 Å²	52.6	54%	0.542	26%	0.264	S	S	.	.			trans	-65.6	125.2	-179	-175.1	172	-140.4	0	0	111.2	P275	P275-E278 HydrophobicContact CB-CB 4.13Å; P275-E278 WeakPolarHBondContact CD-OE2 3.45Å; P275-E278 HydrophobicContact CG-CB 3.91Å
279	T	87.8	Confident	93.3	Very high	50 Å²	50	52.6 Å²	52.6	31%	0.307	26%	0.264	S	S	.	.			trans	-140	171.6	178	64.7	0	0	0	0	110.5	F277 N281 E284 T285	F277-T279 PolarHBondContact O-N 3.26Å; T279-N281 PolarHBondContact O-N 3.09Å; T279-N281 PolarHBondContact OG1-O 3.01Å; T279-E284 HydrophobicContact CG2-CG 3.94Å; T279-T285 PolarHBondContact OG1-N 2.72Å; T279-T285 VanDerWaalsContact OG1-N 3.08Å; T279-T285 PolarHBondContact OG1-OG1 3.39Å
280	T	85.2	Confident	93.2	Very high	146 Å²	146	57 Å²	57	90%	0.896	28%	0.28	S	S	*	.	S	Bend	trans	-70.2	-17.7	-176.5	55.6	0	0	0	0	114
281	N	89.7	Confident	93.1	Very high	77 Å²	77	61.2 Å²	61.2	41%	0.412	30%	0.3	S	S	.	.	S	Bend	trans	-143	145	179.4	73.7	78.4	0	0	0	112.3	T279 K283 E284 T285	T279-N281 PolarHBondContact O-N 3.09Å; T279-N281 PolarHBondContact OG1-O 3.01Å; N281-K283 VanDerWaalsContact C-N 3.3Å; N281-K283 PolarHBondContact O-N 3.21Å; N281-K283 PolarHBondContact OD1-N 3.49Å; N281-E284 WeakPolarHBondContact O-CB 3.44Å; N281-E284 PolarHBondContact O-N 2.99Å; N281-E284 VanDerWaalsContact O-N 3.17Å; N281-E284 VanDerWaalsContact OD1-CB 3.27Å; N281-E284 WeakPolarHBondContact OD1-CB 3.32Å; N281-E284 PolarHBondContact OD1-N 3.15Å; N281-T285 PolarHBondContact O-N 3.46Å; N281-T285 PolarHBondContact O-OG1 2.86Å
282	L	89.8	Confident	93	Very high	88 Å²	88	61.5 Å²	61.5	46%	0.461	30%	0.304	S	S	.	.	H	α-helix	trans	-63.4	-32.7	-173	-171.4	64.9	0	0	0	113.7	P241 E284 T285 Y286	P241-L282 HydrophobicContact CB-CD1 3.53Å; P241-L282 HydrophobicContact CG-CD1 3.83Å; L282-E284 VanDerWaalsContact C-N 3.33Å; L282-T285 WeakPolarHBondContact O-CB 3.12Å; L282-T285 PolarHBondContact O-N 2.94Å; L282-Y286 HydrophobicContact CD1-CD1 4.38Å; L282-Y286 HydrophobicContact CD1-CE1 3.68Å; L282-Y286 HydrophobicContact CD1-CE2 4.45Å; L282-Y286 HydrophobicContact CD2-CE2 4.18Å; L282-Y286 HydrophobicContact CG-CD2 4.48Å; L282-Y286 HydrophobicContact CG-CE1 4.02Å; L282-Y286 HydrophobicContact CG-CE2 3.9Å; L282-Y286 PolarHBondContact O-N 3.25Å
283	K	91.1	Very high	93	Very high	179 Å²	179	65.6 Å²	65.6	78%	0.778	32%	0.318	S	S	*	.	H	α-helix	trans	-65	-41.5	178.2	-173.7	-179.9	178.6	-176.4	0	110.6	N281 Y286 R287	N281-K283 VanDerWaalsContact C-N 3.3Å; N281-K283 PolarHBondContact O-N 3.21Å; N281-K283 PolarHBondContact OD1-N 3.49Å; K283-Y286 PolarHBondContact O-N 3.18Å; K283-R287 PolarHBondContact O-N 3.35Å; K283-R287 VanDerWaalsContact O-N 3.08Å
284	E	93	Very high	93.1	Very high	39 Å²	39	66.5 Å²	66.5	18%	0.182	31%	0.311	C	S	.	.	H	α-helix	trans	-66.7	-43.2	174.7	-175.4	59	-154.6	0	0	111.5	T279 N281 L282 Y286 R287 C288 R293	T279-E284 HydrophobicContact CG2-CG 3.94Å; N281-E284 WeakPolarHBondContact O-CB 3.44Å; N281-E284 PolarHBondContact O-N 2.99Å; N281-E284 VanDerWaalsContact O-N 3.17Å; N281-E284 VanDerWaalsContact OD1-CB 3.27Å; N281-E284 WeakPolarHBondContact OD1-CB 3.32Å; N281-E284 PolarHBondContact OD1-N 3.15Å; L282-E284 VanDerWaalsContact C-N 3.33Å; E284-Y286 VanDerWaalsContact C-N 3.28Å; E284-Y286 PolarHBondContact O-N 3.36Å; E284-R287 WeakPolarHBondContact O-CB 3.41Å; E284-R287 PolarHBondContact O-N 3Å; E284-R287 IonicContact OE1-CZ 3.95Å; E284-R287 VanDerWaalsContact OE1-CZ 3.26Å; E284-R287 IonicContact OE1-NE 2.67Å; E284-R287 PolarHBondContact OE1-NE 3.31Å; E284-R287 IonicContact OE1-NH2 3.74Å; E284-R287 PolarHBondContact OE1-NH2 2.89Å; E284-R287 IonicContact OE2-CZ 3.14Å; E284-R287 IonicContact OE2-NE 3.39Å; E284-R287 PolarHBondContact OE2-NE 3.49Å; E284-R287 IonicContact OE2-NH2 3.93Å; E284-R287 PolarHBondContact OE2-NH2 2.97Å; E284-C288 PolarHBondContact O-N 2.84Å; E284-R293 IonicContact OE1-NH2 3.95Å; E284-R293 PolarHBondContact OE1-NH2 3.18Å
285	T	92.4	Very high	93.2	Very high	6 Å²	6	65.6 Å²	65.6	4%	0.037	32%	0.317	C	S	.	.	H	α-helix	trans	-52.3	-48.8	173	-52.3	0	0	0	0	110.7	F277 T279 N281 L282 R287 C288 I289	F277-T285 HydrophobicContact CB-CG2 4.42Å; F277-T285 WeakPolarHBondContact O-CG2 3.28Å; T279-T285 PolarHBondContact OG1-N 2.72Å; T279-T285 VanDerWaalsContact OG1-N 3.08Å; T279-T285 PolarHBondContact OG1-OG1 3.39Å; N281-T285 PolarHBondContact O-N 3.46Å; N281-T285 PolarHBondContact O-OG1 2.86Å; L282-T285 WeakPolarHBondContact O-CB 3.12Å; L282-T285 PolarHBondContact O-N 2.94Å; T285-R287 VanDerWaalsContact C-N 3.33Å; T285-R287 PolarHBondContact O-N 3.44Å; T285-C288 PolarHBondContact O-N 3.06Å; T285-I289 HydrophobicContact CG2-CD1 3.84Å; T285-I289 VanDerWaalsContact O-CG1 3.28Å; T285-I289 WeakPolarHBondContact O-CG1 3.37Å; T285-I289 PolarHBondContact O-N 3.27Å
286	Y	94.7	Very high	93.1	Very high	58 Å²	58	67.9 Å²	67.9	23%	0.227	33%	0.327	C	S	.	.	H	α-helix	trans	-65.1	-33.2	178.2	-66.1	-14.1	0	0	0	113.6	P241 L244 L249 L282 K283 E284 I289 R290	P241-Y286 HydrophobicContact CB-CE1 4.14Å; L244-Y286 HydrophobicContact CD1-CE1 4.07Å; L249-Y286 HydrophobicContact CD1-CD1 3.88Å; L249-Y286 HydrophobicContact CD1-CG 4.1Å; L249-Y286 HydrophobicContact CD2-CD1 3.92Å; L249-Y286 HydrophobicContact CD2-CE1 4.03Å; L249-Y286 HydrophobicContact CD2-CG 4.2Å; L282-Y286 HydrophobicContact CD1-CD1 4.38Å; L282-Y286 HydrophobicContact CD1-CE1 3.68Å; L282-Y286 HydrophobicContact CD1-CE2 4.45Å; L282-Y286 HydrophobicContact CD2-CE2 4.18Å; L282-Y286 HydrophobicContact CG-CD2 4.48Å; L282-Y286 HydrophobicContact CG-CE1 4.02Å; L282-Y286 HydrophobicContact CG-CE2 3.9Å; L282-Y286 PolarHBondContact O-N 3.25Å; K283-Y286 PolarHBondContact O-N 3.18Å; E284-Y286 VanDerWaalsContact C-N 3.28Å; E284-Y286 PolarHBondContact O-N 3.36Å; Y286-I289 HydrophobicContact CD1-CD1 4.42Å; Y286-R290 WeakPolarHBondContact O-CG 3.42Å; Y286-R290 PolarHBondContact O-N 2.97Å; Y286-R290 VanDerWaalsContact O-N 3.08Å
287	R	95.4	Very high	92.7	Very high	116 Å²	116	69 Å²	69	44%	0.438	33%	0.334	S	S	.	.	H	α-helix	trans	-64.6	-51.6	173.4	-178.6	174.2	69.4	167	5.8	110.8	K283 E284 T285 I289 R290 E291	K283-R287 PolarHBondContact O-N 3.35Å; K283-R287 VanDerWaalsContact O-N 3.08Å; E284-R287 WeakPolarHBondContact O-CB 3.41Å; E284-R287 PolarHBondContact O-N 3Å; E284-R287 IonicContact OE1-CZ 3.95Å; E284-R287 VanDerWaalsContact OE1-CZ 3.26Å; E284-R287 IonicContact OE1-NE 2.67Å; E284-R287 PolarHBondContact OE1-NE 3.31Å; E284-R287 IonicContact OE1-NH2 3.74Å; E284-R287 PolarHBondContact OE1-NH2 2.89Å; E284-R287 IonicContact OE2-CZ 3.14Å; E284-R287 IonicContact OE2-NE 3.39Å; E284-R287 PolarHBondContact OE2-NE 3.49Å; E284-R287 IonicContact OE2-NH2 3.93Å; E284-R287 PolarHBondContact OE2-NH2 2.97Å; T285-R287 VanDerWaalsContact C-N 3.33Å; T285-R287 PolarHBondContact O-N 3.44Å; R287-I289 VanDerWaalsContact C-N 3.31Å; R287-I289 PolarHBondContact O-N 2.82Å; R287-R290 PolarHBondContact O-N 2.83Å; R287-E291 WeakPolarHBondContact CG-OE1 3.21Å; R287-E291 WeakPolarHBondContact O-CG 3.29Å; R287-E291 PolarHBondContact O-N 3.01Å
288	C	95.6	Very high	92.1	Very high	11 Å²	11	74.3 Å²	74.3	7%	0.074	37%	0.372	C	S	.	.	H	α-helix	trans	-57.7	-42	177.8	-74.4	0	0	0	0	112.4	F277 E284 T285 E291 A292 R293	F277-C288 HydrophobicContact CD1-CB 4.04Å; E284-C288 PolarHBondContact O-N 2.84Å; T285-C288 PolarHBondContact O-N 3.06Å; C288-E291 PolarHBondContact O-N 3.44Å; C288-A292 PolarHBondContact O-N 2.97Å; C288-R293 PolarHBondContact O-N 3.31Å
289	I	96.8	Very high	91.9	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-61.5	-51.2	175.8	-69.1	165.4	0	0	0	110.7	P241 L244 P246 L249 W261 F277 T285 Y286 R287 E291 A292	P241-I289 VanDerWaalsContact O-CD1 3.28Å; P241-I289 WeakPolarHBondContact O-CD1 3.48Å; L244-I289 WeakPolarHBondContact O-CG2 3.32Å; P246-I289 HydrophobicContact CG-CG2 4.39Å; P246-I289 WeakPolarHBondContact CG-O 3.4Å; L249-I289 HydrophobicContact CD1-CB 3.74Å; L249-I289 HydrophobicContact CD1-CD1 4.17Å; L249-I289 HydrophobicContact CD1-CG2 3.47Å; L249-I289 VanDerWaalsContact CD1-CG2 3.47Å; L249-I289 HydrophobicContact CG-CG2 4.37Å; W261-I289 HydrophobicContact CZ2-CG2 3.94Å; F277-I289 HydrophobicContact CB-CD1 4.39Å; F277-I289 HydrophobicContact CB-CG1 3.75Å; F277-I289 HydrophobicContact CD1-CG1 4.13Å; F277-I289 HydrophobicContact CD2-CG1 3.77Å; F277-I289 HydrophobicContact CE2-CG1 4.45Å; F277-I289 HydrophobicContact CG-CG1 3.61Å; T285-I289 HydrophobicContact CG2-CD1 3.84Å; T285-I289 VanDerWaalsContact O-CG1 3.28Å; T285-I289 WeakPolarHBondContact O-CG1 3.37Å; T285-I289 PolarHBondContact O-N 3.27Å; Y286-I289 HydrophobicContact CD1-CD1 4.42Å; R287-I289 VanDerWaalsContact C-N 3.31Å; R287-I289 PolarHBondContact O-N 2.82Å; I289-E291 PolarHBondContact O-N 2.97Å; I289-A292 PolarHBondContact O-N 3.24Å
290	R	95.8	Very high	91.7	Very high	98 Å²	98	71.6 Å²	71.6	37%	0.37	37%	0.367	S	S	.	.	H	α-helix	trans	-60.2	-32.7	-179.4	-76	-176.2	-179.3	114.4	2	113.5	L249 N250 Y286 R287 A292 K314	L249-R290 HydrophobicContact CB-CG 4.19Å; L249-R290 HydrophobicContact CD1-CG 4.28Å; L249-R290 PolarHBondContact O-NH2 3.14Å; N250-R290 WeakPolarHBondContact OD1-CD 3.21Å; N250-R290 PolarHBondContact OD1-NE 3.2Å; N250-R290 VanDerWaalsContact OD1-NE 3.11Å; Y286-R290 WeakPolarHBondContact O-CG 3.42Å; Y286-R290 PolarHBondContact O-N 2.97Å; Y286-R290 VanDerWaalsContact O-N 3.08Å; R287-R290 PolarHBondContact O-N 2.83Å; R290-A292 VanDerWaalsContact C-N 3.31Å; R290-K314 WeakPolarHBondContact O-CE 3.37Å
291	E	95.6	Very high	91.7	Very high	91 Å²	91	69.5 Å²	69.5	43%	0.425	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-5.4	176.4	-68.4	174.5	-165.8	0	0	112.9	R287 C288 I289 R293	R287-E291 WeakPolarHBondContact CG-OE1 3.21Å; R287-E291 WeakPolarHBondContact O-CG 3.29Å; R287-E291 PolarHBondContact O-N 3.01Å; C288-E291 PolarHBondContact O-N 3.44Å; I289-E291 PolarHBondContact O-N 2.97Å; E291-R293 HydrophobicContact CB-CB 3.95Å; E291-R293 PolarHBondContact O-N 3.15Å; E291-R293 IonicContact OE2-CZ 3.01Å; E291-R293 IonicContact OE2-NE 3.97Å; E291-R293 IonicContact OE2-NH1 2.78Å; E291-R293 PolarHBondContact OE2-NH1 3.02Å
292	A	96.1	Very high	91.9	Very high	21 Å²	21	69.4 Å²	69.4	17%	0.174	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	36	-167.6	0	0	0	0	0	112.6	W261 C288 I289 R290 Y294 K314	W261-A292 HydrophobicContact CH2-CB 4.05Å; W261-A292 HydrophobicContact CZ3-CB 4.36Å; C288-A292 PolarHBondContact O-N 2.97Å; I289-A292 PolarHBondContact O-N 3.24Å; R290-A292 VanDerWaalsContact C-N 3.31Å; A292-Y294 WeakPolarHBondContact O-CD1 3.22Å; A292-K314 HydrophobicContact CB-CB 3.9Å; A292-K314 HydrophobicContact CB-CG 4.45Å
293	R	95.4	Very high	92	Very high	117 Å²	117	66.9 Å²	66.9	44%	0.442	35%	0.348	S	S	.	.			trans	-96	108.3	-173.5	-169.7	179.1	76.7	-162.1	8.4	111.1	E284 C288 E291	E284-R293 IonicContact OE1-NH2 3.95Å; E284-R293 PolarHBondContact OE1-NH2 3.18Å; C288-R293 PolarHBondContact O-N 3.31Å; E291-R293 HydrophobicContact CB-CB 3.95Å; E291-R293 PolarHBondContact O-N 3.15Å; E291-R293 IonicContact OE2-CZ 3.01Å; E291-R293 IonicContact OE2-NE 3.97Å; E291-R293 IonicContact OE2-NH1 2.78Å; E291-R293 PolarHBondContact OE2-NH1 3.02Å
294	Y	95.9	Very high	92.3	Very high	53 Å²	53	58.3 Å²	58.3	21%	0.208	31%	0.311	C	S	.	.			trans	-143.8	170.9	174.9	62.5	-81.9	0	0	0	110.5	Y268 P276 F277 A292 M296 I308 A309 L312	Y268-Y294 HydrophobicContact CD2-CD2 4.35Å; Y268-Y294 HydrophobicContact CD2-CE2 4.46Å; Y268-Y294 AromaticContact CE2-CD2 3.95Å; Y268-Y294 HydrophobicContact CE2-CD2 3.95Å; Y268-Y294 HydrophobicContact CE2-CE2 4.39Å; P276-Y294 HydrophobicContact CB-CD2 4.2Å; P276-Y294 HydrophobicContact CB-CG 4.08Å; P276-Y294 WeakPolarHBondContact O-CB 3.34Å; F277-Y294 AromaticContact CE1-CD1 3.65Å; F277-Y294 HydrophobicContact CE1-CD1 3.65Å; F277-Y294 HydrophobicContact CE1-CG 4.15Å; F277-Y294 AromaticContact CZ-CD1 3.7Å; F277-Y294 HydrophobicContact CZ-CD1 3.7Å; F277-Y294 HydrophobicContact CZ-CE1 4.37Å; F277-Y294 HydrophobicContact CZ-CG 4.34Å; A292-Y294 WeakPolarHBondContact O-CD1 3.22Å; Y294-M296 HydrophobicContact CE2-CE 3.71Å; Y294-I308 HydrophobicContact CE2-CG2 4.2Å; Y294-A309 WeakPolarHBondContact OH-CA 3.32Å; Y294-L312 HydrophobicContact CD1-CD1 4.41Å; Y294-L312 HydrophobicContact CE1-CB 3.93Å; Y294-L312 HydrophobicContact CE1-CD1 3.9Å; Y294-L312 HydrophobicContact CE2-CD1 4.14Å
295	T	93.3	Very high	92.5	Very high	87 Å²	87	59.4 Å²	59.4	53%	0.534	32%	0.315	S	S	.	.			trans	-103.4	132.7	-178.6	48.8	0	0	0	0	110.3	Y268 P297	Y268-T295 WeakPolarHBondContact CE2-O 3.33Å; Y268-T295 PolarHBondContact OH-O 3.35Å; T295-P297 WeakPolarHBondContact O-CD 3.31Å
296	M	92.8	Very high	92.7	Very high	61 Å²	61	64.5 Å²	64.5	30%	0.3	34%	0.338	S	S	.	.			trans	-103.9	109.7	174.2	-166.5	69.5	78.3	0	0	109.5	Y294 L300 K305 I308	Y294-M296 HydrophobicContact CE2-CE 3.71Å; M296-L300 HydrophobicContact SD-CD1 3.73Å; M296-K305 HydrophobicContact CE-CB 4.3Å; M296-K305 WeakPolarHBondContact CE-O 3.35Å; M296-K305 HydrophobicContact CG-CB 4.1Å; M296-K305 HydrophobicContact CG-CD 3.91Å; M296-K305 HydrophobicContact CG-CG 3.59Å; M296-K305 HydrophobicContact SD-CB 4.25Å; M296-K305 HydrophobicContact SD-CG 3.94Å; M296-I308 HydrophobicContact CE-CB 3.96Å; M296-I308 HydrophobicContact CE-CG2 3.76Å; M296-I308 HydrophobicContact SD-CD1 4.48Å
297	P	87.5	Confident	92.9	Very high	32 Å²	32	61.8 Å²	61.8	21%	0.208	33%	0.328	C	S	.	.			trans	-63.9	142.8	179.6	-24.5	36.9	0	0	0	112.4	L272 T295 S299 L300 K305	L272-P297 HydrophobicContact CD1-CG 3.77Å; L272-P297 HydrophobicContact CD2-CB 4.35Å; L272-P297 HydrophobicContact CD2-CG 3.8Å; L272-P297 HydrophobicContact CG-CG 4.43Å; T295-P297 WeakPolarHBondContact O-CD 3.31Å; P297-S299 PolarHBondContact O-N 2.82Å; P297-L300 PolarHBondContact O-N 3.36Å; P297-K305 WeakPolarHBondContact O-CE 3.37Å
298	S	83.4	Confident	93.1	Very high	114 Å²	114	56.2 Å²	56.2	80%	0.797	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.5	176.6	53.5	0	0	0	0	112.8	L300 K305	S298-L300 VanDerWaalsContact C-N 3.26Å; S298-L300 PolarHBondContact O-N 2.86Å; S298-K305 PolarHBondContact O-NZ 3.21Å
299	S	82.3	Confident	93.2	Very high	95 Å²	95	57.7 Å²	57.7	66%	0.664	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.2	-179.8	61.1	0	0	0	0	115.6	P297	P297-S299 PolarHBondContact O-N 2.82Å
300	L	84.2	Confident	93.3	Very high	15 Å²	15	59 Å²	59	8%	0.079	33%	0.329	C	S	.	.	S	Bend	trans	-79.3	142.2	175.5	-67.8	178.6	0	0	0	111.2	L271 L272 M296 P297 S298 K305 I308	L271-L300 HydrophobicContact CB-CD2 3.91Å; L271-L300 HydrophobicContact CD1-CD2 4.29Å; L272-L300 HydrophobicContact CD1-CD1 3.88Å; L272-L300 HydrophobicContact CD2-CD1 4.05Å; L272-L300 HydrophobicContact CD2-CD2 3.88Å; L272-L300 HydrophobicContact CD2-CG 3.93Å; L272-L300 HydrophobicContact CG-CD1 4.09Å; L272-L300 HydrophobicContact CG-CD2 4.38Å; L272-L300 HydrophobicContact CG-CG 4.48Å; M296-L300 HydrophobicContact SD-CD1 3.73Å; P297-L300 PolarHBondContact O-N 3.36Å; S298-L300 VanDerWaalsContact C-N 3.26Å; S298-L300 PolarHBondContact O-N 2.86Å; L300-K305 HydrophobicContact CB-CD 4.39Å; L300-K305 HydrophobicContact CB-CG 3.68Å; L300-K305 WeakPolarHBondContact O-CE 3.44Å; L300-K305 PolarHBondContact O-NZ 3.46Å; L300-I308 HydrophobicContact CD1-CD1 4.12Å
301	L	86.1	Confident	93.4	Very high	102 Å²	102	54.4 Å²	54.4	53%	0.534	31%	0.312	S	S	.	.			trans	-67.8	151.7	173.8	-58.8	-176.9	0	0	0	110.8	E176 A304 K305	E176-L301 WeakPolarHBondContact OE1-CB 3.34Å; E176-L301 WeakPolarHBondContact OE1-CD1 3.41Å; E176-L301 WeakPolarHBondContact OE1-CG 3.48Å; L301-A304 PolarHBondContact O-N 3.02Å; L301-A304 VanDerWaalsContact O-N 3.13Å; L301-K305 PolarHBondContact O-N 3.07Å
302	A	92.6	Very high	93.6	Very high	74 Å²	74	50.3 Å²	50.3	61%	0.612	29%	0.292	S	S	*	.	H	α-helix	trans	-55	-43.4	-176.1	0	0	0	0	0	113.7	A304 K305 H306	A302-A304 VanDerWaalsContact C-N 3.33Å; A302-A304 PolarHBondContact O-N 2.99Å; A302-K305 PolarHBondContact O-N 2.91Å; A302-H306 WeakPolarHBondContact O-CB 3.36Å; A302-H306 PolarHBondContact O-N 3.15Å
303	P	93.1	Very high	93.7	Very high	35 Å²	35	50.6 Å²	50.6	23%	0.227	29%	0.293	C	S	.	.	H	α-helix	trans	-62	-37.6	177.9	-24.5	35.4	0	0	0	113.4	L307 H328 D329 F330	P303-L307 PolarHBondContact O-N 2.67Å; P303-L307 VanDerWaalsContact O-N 3.09Å; P303-H328 PolarHBondContact O-CE1 3.48Å; P303-D329 HydrophobicContact CB-CB 4.3Å; P303-F330 HydrophobicContact CB-CB 4.21Å
304	A	95.8	Very high	93.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-68.4	-42.8	176.9	0	0	0	0	0	111.5	M267 L271 L301 A302 I308 F330	M267-A304 HydrophobicContact CE-CB 4.06Å; L271-A304 HydrophobicContact CD1-CB 4.11Å; L301-A304 PolarHBondContact O-N 3.02Å; L301-A304 VanDerWaalsContact O-N 3.13Å; A302-A304 VanDerWaalsContact C-N 3.33Å; A302-A304 PolarHBondContact O-N 2.99Å; A304-I308 WeakPolarHBondContact O-CD1 3.44Å; A304-I308 VanDerWaalsContact O-CG1 3.23Å; A304-I308 WeakPolarHBondContact O-CG1 3.37Å; A304-I308 PolarHBondContact O-N 3.1Å; A304-I308 VanDerWaalsContact O-N 3.1Å; A304-F330 HydrophobicContact CB-CD2 3.83Å; A304-F330 HydrophobicContact CB-CE2 3.87Å
305	K	97.1	Very high	93.8	Very high	61 Å²	61	52.3 Å²	52.3	27%	0.265	31%	0.309	S	S	.	.	H	α-helix	trans	-60	-46.1	175.8	-68.1	179.4	173.4	140.8	0	111.4	M296 P297 S298 L300 L301 A302 A309	M296-K305 HydrophobicContact CE-CB 4.3Å; M296-K305 WeakPolarHBondContact CE-O 3.35Å; M296-K305 HydrophobicContact CG-CB 4.1Å; M296-K305 HydrophobicContact CG-CD 3.91Å; M296-K305 HydrophobicContact CG-CG 3.59Å; M296-K305 HydrophobicContact SD-CB 4.25Å; M296-K305 HydrophobicContact SD-CG 3.94Å; P297-K305 WeakPolarHBondContact O-CE 3.37Å; S298-K305 PolarHBondContact O-NZ 3.21Å; L300-K305 HydrophobicContact CB-CD 4.39Å; L300-K305 HydrophobicContact CB-CG 3.68Å; L300-K305 WeakPolarHBondContact O-CE 3.44Å; L300-K305 PolarHBondContact O-NZ 3.46Å; L301-K305 PolarHBondContact O-N 3.07Å; A302-K305 PolarHBondContact O-N 2.91Å; K305-A309 WeakPolarHBondContact O-CB 3.28Å; K305-A309 PolarHBondContact O-N 2.98Å
306	H	97.9	Very high	94	Very high	113 Å²	113	49.8 Å²	49.8	52%	0.523	29%	0.294	S	S	.	.	H	α-helix	trans	-62.6	-50.2	-179	-172.7	-101.1	0	0	0	111.3	A302 I308 A309 S310 H328	A302-H306 WeakPolarHBondContact O-CB 3.36Å; A302-H306 PolarHBondContact O-N 3.15Å; H306-I308 PolarHBondContact O-N 3.37Å; H306-A309 WeakPolarHBondContact O-CB 3.45Å; H306-A309 PolarHBondContact O-N 3.02Å; H306-A309 VanDerWaalsContact O-N 3.09Å; H306-S310 PolarHBondContact O-N 2.86Å; H306-S310 PolarHBondContact O-OG 3.43Å; H306-S310 VanDerWaalsContact O-OG 3.09Å; H306-H328 AromaticContact CE1-NE2 3.81Å; H306-H328 AromaticContact CG-NE2 3.82Å; H306-H328 AromaticContact ND1-CD2 3.91Å; H306-H328 AromaticContact ND1-CE1 3.75Å; H306-H328 AromaticContact ND1-NE2 2.86Å; H306-H328 PolarHBondContact ND1-NE2 2.87Å
307	L	98.5	Very high	94.2	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-61.8	-41.6	180	-176.1	54.6	0	0	0	112.9	M267 P303 A309 S310 M311 I325 H328 F330 F331	M267-L307 HydrophobicContact CE-CB 4.19Å; M267-L307 HydrophobicContact CE-CD2 4.01Å; M267-L307 HydrophobicContact CE-CG 4.34Å; M267-L307 HydrophobicContact SD-CB 4.32Å; M267-L307 HydrophobicContact SD-CD2 3.79Å; M267-L307 HydrophobicContact SD-CG 3.94Å; P303-L307 PolarHBondContact O-N 2.67Å; P303-L307 VanDerWaalsContact O-N 3.09Å; L307-A309 VanDerWaalsContact C-N 3.33Å; L307-S310 PolarHBondContact O-N 3.09Å; L307-M311 HydrophobicContact CD1-CE 4.39Å; L307-M311 HydrophobicContact CD1-CG 4.34Å; L307-M311 HydrophobicContact CD2-CE 4.47Å; L307-M311 HydrophobicContact CG-CE 3.93Å; L307-M311 PolarHBondContact O-N 2.91Å; L307-I325 HydrophobicContact CD1-CG1 4.32Å; L307-I325 HydrophobicContact CD1-CG2 4.42Å; L307-H328 HydrophobicContact CD1-CB 4.04Å; L307-H328 HydrophobicContact CD2-CB 4.34Å; L307-F330 HydrophobicContact CB-CB 4.39Å; L307-F330 HydrophobicContact CD2-CB 3.83Å; L307-F330 HydrophobicContact CD2-CD1 3.74Å; L307-F330 HydrophobicContact CD2-CG 4Å; L307-F331 HydrophobicContact CD2-CD2 4.38Å; L307-F331 HydrophobicContact CD2-CE2 3.91Å
308	I	98.7	Very high	94.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.1	-45.4	174.7	-68.6	166.8	0	0	0	110.1	M267 Y268 L271 Y294 M296 L300 A304 H306 S310 M311 L312	M267-I308 HydrophobicContact CB-CG1 4.41Å; M267-I308 HydrophobicContact CE-CD1 4.34Å; M267-I308 HydrophobicContact CE-CG1 3.94Å; M267-I308 HydrophobicContact CG-CD1 4.23Å; M267-I308 HydrophobicContact CG-CG1 3.79Å; M267-I308 HydrophobicContact SD-CG1 3.74Å; Y268-I308 HydrophobicContact CD2-CD1 4.45Å; Y268-I308 HydrophobicContact CD2-CG2 4.09Å; L271-I308 HydrophobicContact CD1-CD1 4.06Å; Y294-I308 HydrophobicContact CE2-CG2 4.2Å; M296-I308 HydrophobicContact CE-CB 3.96Å; M296-I308 HydrophobicContact CE-CG2 3.76Å; M296-I308 HydrophobicContact SD-CD1 4.48Å; L300-I308 HydrophobicContact CD1-CD1 4.12Å; A304-I308 WeakPolarHBondContact O-CD1 3.44Å; A304-I308 VanDerWaalsContact O-CG1 3.23Å; A304-I308 WeakPolarHBondContact O-CG1 3.37Å; A304-I308 PolarHBondContact O-N 3.1Å; A304-I308 VanDerWaalsContact O-N 3.1Å; H306-I308 PolarHBondContact O-N 3.37Å; I308-S310 PolarHBondContact O-N 3.03Å; I308-M311 PolarHBondContact O-N 3.49Å; I308-L312 HydrophobicContact CG2-CD1 3.74Å; I308-L312 HydrophobicContact CG2-CG 4.34Å; I308-L312 VanDerWaalsContact O-CB 3.32Å; I308-L312 WeakPolarHBondContact O-CB 3.47Å; I308-L312 WeakPolarHBondContact O-CG 3.35Å; I308-L312 PolarHBondContact O-N 2.96Å
309	A	98.4	Very high	95.4	Very high	42 Å²	42	54.2 Å²	54.2	35%	0.347	30%	0.301	S	S	.	.	H	α-helix	trans	-60.3	-45	179.2	0	0	0	0	0	111.9	Y294 K305 H306 L307 L312 S313	Y294-A309 WeakPolarHBondContact OH-CA 3.32Å; K305-A309 WeakPolarHBondContact O-CB 3.28Å; K305-A309 PolarHBondContact O-N 2.98Å; H306-A309 WeakPolarHBondContact O-CB 3.45Å; H306-A309 PolarHBondContact O-N 3.02Å; H306-A309 VanDerWaalsContact O-N 3.09Å; L307-A309 VanDerWaalsContact C-N 3.33Å; A309-L312 CarbonylContact O-C 3.59Å; A309-L312 PolarHBondContact O-N 3.46Å; A309-S313 PolarHBondContact O-N 3.45Å; A309-S313 VanDerWaalsContact O-N 3.16Å
310	S	98.5	Very high	96.2	Very high	28 Å²	28	50.9 Å²	50.9	20%	0.196	28%	0.278	C	S	.	.	H	α-helix	trans	-63.6	-43	177.5	-53.1	0	0	0	0	112.9	H306 L307 I308 L312 S313 P320	H306-S310 PolarHBondContact O-N 2.86Å; H306-S310 PolarHBondContact O-OG 3.43Å; H306-S310 VanDerWaalsContact O-OG 3.09Å; L307-S310 PolarHBondContact O-N 3.09Å; I308-S310 PolarHBondContact O-N 3.03Å; S310-L312 VanDerWaalsContact C-N 3.31Å; S310-L312 PolarHBondContact O-N 3.29Å; S310-S313 PolarHBondContact O-N 3.4Å; S310-S313 PolarHBondContact O-OG 3Å; S310-P320 VanDerWaalsContact O-CD 3.32Å; S310-P320 WeakPolarHBondContact O-CD 3.34Å
311	M	98.8	Very high	96.9	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-70.4	-27.7	177.1	-70.6	-166.7	-74.4	0	0	113	I260 L263 M267 L307 I308 R319 P320 I325	I260-M311 HydrophobicContact CG2-CB 4.15Å; I260-M311 HydrophobicContact CG2-CG 3.92Å; I260-M311 HydrophobicContact CG2-SD 4.43Å; L263-M311 HydrophobicContact CB-SD 4.18Å; L263-M311 HydrophobicContact CD2-SD 3.96Å; L263-M311 HydrophobicContact CG-SD 3.89Å; M267-M311 HydrophobicContact CB-CE 3.98Å; M267-M311 HydrophobicContact CG-CE 4.41Å; M267-M311 HydrophobicContact SD-CE 3.55Å; M267-M311 VanDerWaalsContact SD-CE 3.55Å; L307-M311 HydrophobicContact CD1-CE 4.39Å; L307-M311 HydrophobicContact CD1-CG 4.34Å; L307-M311 HydrophobicContact CD2-CE 4.47Å; L307-M311 HydrophobicContact CG-CE 3.93Å; L307-M311 PolarHBondContact O-N 2.91Å; I308-M311 PolarHBondContact O-N 3.49Å; M311-R319 WeakPolarHBondContact O-CD 3.23Å; M311-P320 HydrophobicContact CG-CG 4.06Å; M311-I325 HydrophobicContact CG-CD1 4.11Å; M311-I325 HydrophobicContact CG-CG1 4.31Å; M311-I325 HydrophobicContact SD-CD1 3.82Å; M311-I325 HydrophobicContact SD-CG1 4.24Å
312	L	98.6	Very high	97.4	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.021	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	23.9	178	-61.3	-177.1	0	0	0	112.9	W261 P276 Y294 I308 A309 S310 K314	W261-L312 HydrophobicContact CD2-CD2 3.79Å; W261-L312 HydrophobicContact CE3-CB 4.42Å; W261-L312 HydrophobicContact CE3-CD2 3.98Å; W261-L312 HydrophobicContact CG-CD2 4.21Å; W261-L312 HydrophobicContact CZ2-CD2 4.38Å; W261-L312 HydrophobicContact CZ3-CB 4.22Å; W261-L312 HydrophobicContact CZ3-CD2 4.36Å; W261-L312 VanDerWaalsContact CZ3-O 3.23Å; W261-L312 WeakPolarHBondContact CZ3-O 3.28Å; W261-L312 WeakPolarHBondContact O-CD2 3.44Å; P276-L312 HydrophobicContact CB-CD1 4.35Å; P276-L312 HydrophobicContact CG-CD1 4.23Å; Y294-L312 HydrophobicContact CD1-CD1 4.41Å; Y294-L312 HydrophobicContact CE1-CB 3.93Å; Y294-L312 HydrophobicContact CE1-CD1 3.9Å; Y294-L312 HydrophobicContact CE2-CD1 4.14Å; I308-L312 HydrophobicContact CG2-CD1 3.74Å; I308-L312 HydrophobicContact CG2-CG 4.34Å; I308-L312 VanDerWaalsContact O-CB 3.32Å; I308-L312 WeakPolarHBondContact O-CB 3.47Å; I308-L312 WeakPolarHBondContact O-CG 3.35Å; I308-L312 PolarHBondContact O-N 2.96Å; A309-L312 CarbonylContact O-C 3.59Å; A309-L312 PolarHBondContact O-N 3.46Å; S310-L312 VanDerWaalsContact C-N 3.31Å; S310-L312 PolarHBondContact O-N 3.29Å; L312-K314 PolarHBondContact O-N 3.43Å
313	S	98.4	Very high	97.7	Very high	27 Å²	27	47.5 Å²	47.5	19%	0.189	25%	0.254	C	S	.	.			trans	-58.9	136.3	170.5	-66.8	0	0	0	0	110.9	A309 S310 R319	A309-S313 PolarHBondContact O-N 3.45Å; A309-S313 VanDerWaalsContact O-N 3.16Å; S310-S313 PolarHBondContact O-N 3.4Å; S310-S313 PolarHBondContact O-OG 3Å; S313-R319 PolarHBondContact O-NE 2.96Å; S313-R319 PolarHBondContact O-NH2 3.4Å
314	K	97.3	Very high	97.9	Very high	117 Å²	117	49.4 Å²	49.4	51%	0.509	26%	0.262	S	S	.	.	S	Bend	trans	-61.2	-47.4	-178.6	-177.7	-178.6	174.8	-175.1	0	111.4	R290 A292 L312 R319	R290-K314 WeakPolarHBondContact O-CE 3.37Å; A292-K314 HydrophobicContact CB-CB 3.9Å; A292-K314 HydrophobicContact CB-CG 4.45Å; L312-K314 PolarHBondContact O-N 3.43Å; K314-R319 PolarHBondContact O-NH2 2.99Å
315	N	97.2	Very high	98	Very high	90 Å²	90	49.5 Å²	49.5	48%	0.481	26%	0.262	S	S	.	.	S	Bend	trans	-79.7	134.5	175.6	-50.2	-46.8	0	0	0	109.1	E317 D318	N315-E317 VanDerWaalsContact C-N 3.31Å; N315-E317 PolarHBondContact O-N 2.91Å; N315-D318 HydrophobicContact CB-CB 4.47Å; N315-D318 VanDerWaalsContact CB-OD2 3.3Å; N315-D318 WeakPolarHBondContact CB-OD2 3.34Å; N315-D318 PolarHBondContact ND2-OD2 3.08Å; N315-D318 PolarHBondContact O-N 3.24Å
316	P	97	Very high	98	Very high	33 Å²	33	49.6 Å²	49.6	21%	0.214	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-61.3	-36.4	-179.7	-24.8	34.9	0	0	0	114	E247 E257 D318 R319	E247-P316 HydrophobicContact CB-CG 3.95Å; E247-P316 HydrophobicContact CG-CG 3.91Å; E257-P316 HydrophobicContact CB-CB 3.75Å; E257-P316 HydrophobicContact CG-CB 4.01Å; P316-D318 VanDerWaalsContact C-N 3.28Å; P316-D318 PolarHBondContact O-N 3.16Å; P316-R319 WeakPolarHBondContact O-CB 2.94Å; P316-R319 WeakPolarHBondContact O-CG 3.3Å; P316-R319 PolarHBondContact O-N 3.5Å
317	E	96.7	Very high	97.9	Very high	185 Å²	185	50.5 Å²	50.5	86%	0.864	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-71.2	-21.6	-176.7	-62.7	176.9	178	0	0	113.3	N315 R319	N315-E317 VanDerWaalsContact C-N 3.31Å; N315-E317 PolarHBondContact O-N 2.91Å; E317-R319 PolarHBondContact O-N 3.21Å
318	D	98	Very high	97.9	Very high	98 Å²	98	52 Å²	52	52%	0.524	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-80.1	-3.5	176	-63.6	-27.3	0	0	0	112.3	N315 P316	N315-D318 HydrophobicContact CB-CB 4.47Å; N315-D318 VanDerWaalsContact CB-OD2 3.3Å; N315-D318 WeakPolarHBondContact CB-OD2 3.34Å; N315-D318 PolarHBondContact ND2-OD2 3.08Å; N315-D318 PolarHBondContact O-N 3.24Å; P316-D318 VanDerWaalsContact C-N 3.28Å; P316-D318 PolarHBondContact O-N 3.16Å
319	R	98.6	Very high	97.6	Very high	17 Å²	17	55.8 Å²	55.8	6%	0.064	29%	0.291	C	S	.	.	S	Bend	trans	-85.1	140.8	-179.6	-60.6	178.1	-165.2	145.9	12	109.8	E247 E257 I260 M311 S313 K314 P316 E317	E247-R319 IonicContact OE1-CZ 3.72Å; E247-R319 IonicContact OE1-NH1 2.77Å; E247-R319 PolarHBondContact OE1-NH1 3.4Å; E247-R319 IonicContact OE1-NH2 3.38Å; E247-R319 IonicContact OE2-CZ 3Å; E247-R319 IonicContact OE2-NH1 3.79Å; E247-R319 PolarHBondContact OE2-NH1 3.36Å; E247-R319 IonicContact OE2-NH2 3.8Å; E247-R319 PolarHBondContact OE2-NH2 3.33Å; E257-R319 VanDerWaalsContact C-NH1 3.34Å; E257-R319 PolarHBondContact O-NH1 2.94Å; I260-R319 HydrophobicContact CG2-CB 4.13Å; M311-R319 WeakPolarHBondContact O-CD 3.23Å; S313-R319 PolarHBondContact O-NE 2.96Å; S313-R319 PolarHBondContact O-NH2 3.4Å; K314-R319 PolarHBondContact O-NH2 2.99Å; P316-R319 WeakPolarHBondContact O-CB 2.94Å; P316-R319 WeakPolarHBondContact O-CG 3.3Å; P316-R319 PolarHBondContact O-N 3.5Å; E317-R319 PolarHBondContact O-N 3.21Å
320	P	98.4	Very high	97.4	Very high	26 Å²	26	53.9 Å²	53.9	17%	0.169	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-67.4	153.2	-178.5	29	-35.8	0	0	0	111.8	S310 M311 D324 I325	S310-P320 VanDerWaalsContact O-CD 3.32Å; S310-P320 WeakPolarHBondContact O-CD 3.34Å; M311-P320 HydrophobicContact CG-CG 4.06Å; P320-D324 HydrophobicContact CB-CB 4.03Å; P320-I325 HydrophobicContact CB-CG1 4.06Å; P320-I325 HydrophobicContact CG-CD1 4.13Å; P320-I325 HydrophobicContact CG-CG1 3.66Å
321	S	98.4	Very high	97.1	Very high	54 Å²	54	53.5 Å²	53.5	38%	0.378	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-67.5	163.2	167.2	77.4	0	0	0	0	111	D323 D324 I325	S321-D323 PolarHBondContact O-N 3.35Å; S321-D323 PolarHBondContact OG-N 2.85Å; S321-D324 WeakPolarHBondContact CB-OD2 3.31Å; S321-D324 PolarHBondContact N-OD2 2.65Å; S321-D324 PolarHBondContact O-N 3.32Å; S321-D324 VanDerWaalsContact O-N 3.15Å; S321-D324 PolarHBondContact OG-N 2.84Å; S321-D324 VanDerWaalsContact OG-N 3.16Å; S321-D324 PolarHBondContact OG-OD2 2.58Å; S321-I325 WeakPolarHBondContact O-CG1 3.36Å; S321-I325 PolarHBondContact O-N 3.17Å
322	L	98.4	Very high	96.3	Very high	16 Å²	16	58.7 Å²	58.7	8%	0.084	30%	0.297	C	S	.	.	H	α-helix	trans	-59.1	-33.9	175	-70	172.7	0	0	0	112.7	V187 L190 K191 I260 L263 I325 I326	V187-L322 HydrophobicContact CG1-CB 4Å; V187-L322 HydrophobicContact CG1-CD2 4Å; V187-L322 HydrophobicContact CG2-CD2 4.45Å; L190-L322 HydrophobicContact CB-CD1 4.35Å; L190-L322 HydrophobicContact CB-CD2 4.45Å; L190-L322 HydrophobicContact CD2-CD2 3.89Å; L190-L322 HydrophobicContact CG-CD1 4.18Å; L190-L322 HydrophobicContact CG-CD2 4.28Å; K191-L322 VanDerWaalsContact CA-CD1 3.43Å; K191-L322 HydrophobicContact CB-CD1 3.89Å; I260-L322 HydrophobicContact CD1-CD2 3.34Å; I260-L322 HydrophobicContact CD1-CG 3.78Å; L263-L322 HydrophobicContact CD2-CD2 4.48Å; L322-I325 HydrophobicContact CD2-CD1 4.34Å; L322-I325 PolarHBondContact O-N 3.34Å; L322-I326 PolarHBondContact O-N 3.42Å
323	D	97.5	Very high	95.4	Very high	50 Å²	50	64.7 Å²	64.7	27%	0.267	33%	0.325	S	S	.	.	H	α-helix	trans	-73	-34.2	177.8	-73.2	-28.8	0	0	0	112	K191 S321 I326 R327	K191-D323 VanDerWaalsContact NZ-CG 3.34Å; K191-D323 IonicContact NZ-OD1 3.48Å; K191-D323 PolarHBondContact NZ-OD1 2.67Å; K191-D323 IonicContact NZ-OD2 3.65Å; K191-D323 PolarHBondContact NZ-OD2 3.06Å; S321-D323 PolarHBondContact O-N 3.35Å; S321-D323 PolarHBondContact OG-N 2.85Å; D323-I326 WeakPolarHBondContact O-CG1 3.31Å; D323-R327 VanDerWaalsContact CB-NH2 3.28Å; D323-R327 WeakPolarHBondContact O-CG 3.33Å; D323-R327 PolarHBondContact O-N 3.04Å; D323-R327 PolarHBondContact O-NE 2.84Å
324	D	98.1	Very high	94.2	Very high	74 Å²	74	64.4 Å²	64.4	40%	0.396	33%	0.326	S	S	.	.	H	α-helix	trans	-72	-33.6	175.2	-57	-36.6	0	0	0	111.5	P320 S321 I326 R327 H328	P320-D324 HydrophobicContact CB-CB 4.03Å; S321-D324 WeakPolarHBondContact CB-OD2 3.31Å; S321-D324 PolarHBondContact N-OD2 2.65Å; S321-D324 PolarHBondContact O-N 3.32Å; S321-D324 VanDerWaalsContact O-N 3.15Å; S321-D324 PolarHBondContact OG-N 2.84Å; S321-D324 VanDerWaalsContact OG-N 3.16Å; S321-D324 PolarHBondContact OG-OD2 2.58Å; D324-I326 PolarHBondContact O-N 3.08Å; D324-R327 CarbonylContact O-C 3.59Å; D324-R327 PolarHBondContact O-N 3.42Å; D324-R327 IonicContact OD1-CZ 3Å; D324-R327 IonicContact OD1-NE 3.67Å; D324-R327 IonicContact OD1-NH2 3.7Å; D324-R327 PolarHBondContact OD1-NH2 3.42Å; D324-H328 PolarHBondContact O-N 2.95Å
325	I	98.5	Very high	93.4	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-58.6	-47.4	175	-71.6	163.1	0	0	0	111	V187 I260 L263 L307 M311 P320 S321 L322 R327 H328 F331	V187-I325 HydrophobicContact CG2-CG2 3.92Å; I260-I325 HydrophobicContact CD1-CD1 4.04Å; I260-I325 HydrophobicContact CG2-CD1 3.97Å; L263-I325 HydrophobicContact CD2-CD1 4.14Å; L307-I325 HydrophobicContact CD1-CG1 4.32Å; L307-I325 HydrophobicContact CD1-CG2 4.42Å; M311-I325 HydrophobicContact CG-CD1 4.11Å; M311-I325 HydrophobicContact CG-CG1 4.31Å; M311-I325 HydrophobicContact SD-CD1 3.82Å; M311-I325 HydrophobicContact SD-CG1 4.24Å; P320-I325 HydrophobicContact CB-CG1 4.06Å; P320-I325 HydrophobicContact CG-CD1 4.13Å; P320-I325 HydrophobicContact CG-CG1 3.66Å; S321-I325 WeakPolarHBondContact O-CG1 3.36Å; S321-I325 PolarHBondContact O-N 3.17Å; L322-I325 HydrophobicContact CD2-CD1 4.34Å; L322-I325 PolarHBondContact O-N 3.34Å; I325-R327 VanDerWaalsContact C-N 3.3Å; I325-R327 PolarHBondContact O-N 2.84Å; I325-H328 VanDerWaalsContact O-CB 3.24Å; I325-H328 WeakPolarHBondContact O-CB 3.46Å; I325-H328 PolarHBondContact O-N 3.07Å; I325-F331 HydrophobicContact CG2-CE2 3.97Å; I325-F331 WeakPolarHBondContact O-CD2 3.35Å; I325-F331 WeakPolarHBondContact O-CE2 3.3Å
326	I	96.8	Very high	92.9	Very high	63 Å²	63	61.5 Å²	61.5	32%	0.323	31%	0.312	S	S	.	.	H	α-helix	trans	-73.3	-22.1	-179.6	58.2	166.8	0	0	0	113.4	V187 L322 D323 D324 H328 F331	V187-I326 HydrophobicContact CB-CG2 4.1Å; V187-I326 HydrophobicContact CG1-CG2 3.6Å; L322-I326 PolarHBondContact O-N 3.42Å; D323-I326 WeakPolarHBondContact O-CG1 3.31Å; D324-I326 PolarHBondContact O-N 3.08Å; I326-H328 VanDerWaalsContact C-N 3.35Å; I326-F331 WeakPolarHBondContact O-CB 3.5Å
327	R	95.4	Very high	92.4	Very high	133 Å²	133	60.3 Å²	60.3	50%	0.502	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-1.1	174.5	-70.6	-173.8	-68.4	-108.1	1.3	113.3	D323 D324 I325 L332	D323-R327 VanDerWaalsContact CB-NH2 3.28Å; D323-R327 WeakPolarHBondContact O-CG 3.33Å; D323-R327 PolarHBondContact O-N 3.04Å; D323-R327 PolarHBondContact O-NE 2.84Å; D324-R327 CarbonylContact O-C 3.59Å; D324-R327 PolarHBondContact O-N 3.42Å; D324-R327 IonicContact OD1-CZ 3Å; D324-R327 IonicContact OD1-NE 3.67Å; D324-R327 IonicContact OD1-NH2 3.7Å; D324-R327 PolarHBondContact OD1-NH2 3.42Å; I325-R327 VanDerWaalsContact C-N 3.3Å; I325-R327 PolarHBondContact O-N 2.84Å; R327-L332 WeakPolarHBondContact O-CD1 3.3Å
328	H	97.8	Very high	91.8	Very high	31 Å²	31	58 Å²	58	14%	0.144	30%	0.297	C	S	.	.	S	Bend	trans	-67.6	147.4	178.3	-170.5	-87.4	0	0	0	111.7	P303 H306 L307 D324 I325 I326 F330 F331 L332	P303-H328 PolarHBondContact O-CE1 3.48Å; H306-H328 AromaticContact CE1-NE2 3.81Å; H306-H328 AromaticContact CG-NE2 3.82Å; H306-H328 AromaticContact ND1-CD2 3.91Å; H306-H328 AromaticContact ND1-CE1 3.75Å; H306-H328 AromaticContact ND1-NE2 2.86Å; H306-H328 PolarHBondContact ND1-NE2 2.87Å; L307-H328 HydrophobicContact CD1-CB 4.04Å; L307-H328 HydrophobicContact CD2-CB 4.34Å; D324-H328 PolarHBondContact O-N 2.95Å; I325-H328 VanDerWaalsContact O-CB 3.24Å; I325-H328 WeakPolarHBondContact O-CB 3.46Å; I325-H328 PolarHBondContact O-N 3.07Å; I326-H328 VanDerWaalsContact C-N 3.35Å; H328-F330 WeakPolarHBondContact ND1-CB 3.3Å; H328-F330 PolarHBondContact ND1-N 3.34Å; H328-F330 PolarHBondContact O-N 2.88Å; H328-F331 PolarHBondContact O-N 2.92Å; H328-L332 PolarHBondContact O-N 3.28Å; H328-L332 VanDerWaalsContact O-N 3.15Å
329	D	92.1	Very high	91.3	Very high	80 Å²	80	63 Å²	63	43%	0.428	31%	0.309	S	S	.	.	H	α-helix	trans	-50.1	-32.4	178.4	-78.7	-21.1	0	0	0	114.1	P303 F331 L332 Q333	P303-D329 HydrophobicContact CB-CB 4.3Å; D329-F331 PolarHBondContact O-N 2.91Å; D329-L332 PolarHBondContact O-N 3.5Å; D329-Q333 HydrophobicContact CB-CG 4.28Å; D329-Q333 WeakPolarHBondContact O-CB 3.44Å; D329-Q333 PolarHBondContact O-N 2.92Å; D329-Q333 PolarHBondContact OD1-NE2 2.86Å; D329-Q333 PolarHBondContact OD2-NE2 3.23Å
330	F	95.6	Very high	91	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.009	31%	0.309	C	S	.	.	H	α-helix	trans	-50.5	-40.3	173.9	176.5	-106.1	0	0	0	111.8	E176 V179 R180 L183 M267 P303 A304 L307 H328	E176-F330 HydrophobicContact CB-CE2 4.3Å; E176-F330 HydrophobicContact CG-CE2 4.22Å; V179-F330 HydrophobicContact CB-CZ 4.32Å; V179-F330 HydrophobicContact CG1-CE1 4.31Å; V179-F330 HydrophobicContact CG1-CZ 3.93Å; R180-F330 HydrophobicContact CB-CE1 4.42Å; R180-F330 WeakPolarHBondContact CD-O 3.49Å; R180-F330 HydrophobicContact CG-CD1 3.97Å; R180-F330 HydrophobicContact CG-CE1 3.39Å; R180-F330 HydrophobicContact CG-CE2 4.44Å; R180-F330 HydrophobicContact CG-CZ 3.66Å; R180-F330 PolarHBondContact NH1-O 2.95Å; L183-F330 HydrophobicContact CD1-CE1 4.19Å; M267-F330 HydrophobicContact CE-CD1 3.9Å; M267-F330 HydrophobicContact CE-CD2 3.88Å; M267-F330 HydrophobicContact CE-CE1 3.81Å; M267-F330 HydrophobicContact CE-CE2 3.79Å; M267-F330 HydrophobicContact CE-CG 3.94Å; M267-F330 HydrophobicContact CE-CZ 3.75Å; P303-F330 HydrophobicContact CB-CB 4.21Å; A304-F330 HydrophobicContact CB-CD2 3.83Å; A304-F330 HydrophobicContact CB-CE2 3.87Å; L307-F330 HydrophobicContact CB-CB 4.39Å; L307-F330 HydrophobicContact CD2-CB 3.83Å; L307-F330 HydrophobicContact CD2-CD1 3.74Å; L307-F330 HydrophobicContact CD2-CG 4Å; H328-F330 WeakPolarHBondContact ND1-CB 3.3Å; H328-F330 PolarHBondContact ND1-N 3.34Å; H328-F330 PolarHBondContact O-N 2.88Å
331	F	92.1	Very high	90.7	Very high	20 Å²	20	64.8 Å²	64.8	9%	0.088	32%	0.324	C	S	.	.	H	α-helix	trans	-89.9	-41	176.3	-69	-83.3	0	0	0	113.3	R180 L183 R184 L307 I325 I326 H328 D329	R180-F331 HydrophobicContact CB-CD1 4.1Å; R180-F331 HydrophobicContact CB-CE1 4.15Å; R180-F331 HydrophobicContact CG-CD1 3.94Å; R180-F331 HydrophobicContact CG-CE1 4.2Å; L183-F331 HydrophobicContact CB-CE1 4.17Å; L183-F331 HydrophobicContact CB-CZ 3.75Å; L183-F331 HydrophobicContact CD1-CZ 4.39Å; R184-F331 HydrophobicContact CB-CE1 4.22Å; L307-F331 HydrophobicContact CD2-CD2 4.38Å; L307-F331 HydrophobicContact CD2-CE2 3.91Å; I325-F331 HydrophobicContact CG2-CE2 3.97Å; I325-F331 WeakPolarHBondContact O-CD2 3.35Å; I325-F331 WeakPolarHBondContact O-CE2 3.3Å; I326-F331 WeakPolarHBondContact O-CB 3.5Å; H328-F331 PolarHBondContact O-N 2.92Å; D329-F331 PolarHBondContact O-N 2.91Å
332	L	81.5	Confident	90.4	Very high	110 Å²	110	64.8 Å²	64.8	58%	0.576	32%	0.324	S	S	*	.	H	α-helix	trans	-72.2	-38.7	-172.5	-64.9	-174	0	0	0	113.5	R327 H328 D329	R327-L332 WeakPolarHBondContact O-CD1 3.3Å; H328-L332 PolarHBondContact O-N 3.28Å; H328-L332 VanDerWaalsContact O-N 3.15Å; D329-L332 PolarHBondContact O-N 3.5Å
333	Q	79.2	Confident	90	Very high	131 Å²	131	66.5 Å²	66.5	61%	0.612	34%	0.337	S	S	*	.	S	Bend	trans	-91.4	-12.5	-176.5	-57.3	-177.6	10.6	0	0	112.7	D329	D329-Q333 HydrophobicContact CB-CG 4.28Å; D329-Q333 WeakPolarHBondContact O-CB 3.44Å; D329-Q333 PolarHBondContact O-N 2.92Å; D329-Q333 PolarHBondContact OD1-NE2 2.86Å; D329-Q333 PolarHBondContact OD2-NE2 3.23Å
334	G	73	Confident	89.7	Confident	20 Å²	20	64.2 Å²	64.2	21%	0.206	33%	0.325	C	S	.	.	S	Bend	trans	-101.2	137.6	-174.6	0	0	0	0	0	113.8	T336	G334-T336 PolarHBondContact O-N 2.95Å
335	F	81.3	Confident	89.4	Confident	118 Å²	118	61.1 Å²	61.1	52%	0.518	31%	0.309	S	S	.	.			trans	-56.6	128.5	169.5	171.5	-102.5	0	0	0	111.1	P177 R180 P337 F351	P177-F335 HydrophobicContact CB-CD1 4.04Å; P177-F335 WeakPolarHBondContact CB-O 3.37Å; P177-F335 HydrophobicContact CG-CD1 4.27Å; R180-F335 PolarHBondContact NE-O 2.91Å; R180-F335 PolarHBondContact NH2-O 3.42Å; F335-P337 HydrophobicContact CE1-CB 4.02Å; F335-P337 HydrophobicContact CE1-CG 4.44Å; F335-P337 HydrophobicContact CZ-CB 4.05Å; F335-F351 HydrophobicContact CD1-CB 4.18Å; F335-F351 HydrophobicContact CD1-CG 4.45Å; F335-F351 HydrophobicContact CE1-CB 3.79Å; F335-F351 AromaticContact CE1-CD1 3.83Å; F335-F351 HydrophobicContact CE1-CD1 3.83Å; F335-F351 AromaticContact CE1-CG 3.95Å; F335-F351 HydrophobicContact CE1-CG 3.95Å
336	T	86.3	Confident	88.8	Confident	28 Å²	28	67.9 Å²	67.9	17%	0.172	34%	0.341	C	S	.	.			trans	-123.4	119.9	173.6	-54.9	0	0	0	0	108.7	R180 G334	R180-T336 HydrophobicContact CB-CG2 3.99Å; R180-T336 VanDerWaalsContact CD-OG1 3.29Å; R180-T336 WeakPolarHBondContact CD-OG1 3.39Å; G334-T336 PolarHBondContact O-N 2.95Å
337	P	85.9	Confident	88	Confident	8 Å²	8	68.6 Å²	68.6	5%	0.052	35%	0.348	C	S	.	.			trans	-69.1	147.6	176.8	29.7	-34.7	0	0	0	110.6	P177 Y181 F335 R339 L340 F351	P177-P337 WeakPolarHBondContact O-CD 3.48Å; Y181-P337 HydrophobicContact CD2-CG 4.39Å; Y181-P337 VanDerWaalsContact CD2-O 3.23Å; Y181-P337 WeakPolarHBondContact CD2-O 3.23Å; Y181-P337 HydrophobicContact CG-CG 4.49Å; F335-P337 HydrophobicContact CE1-CB 4.02Å; F335-P337 HydrophobicContact CE1-CG 4.44Å; F335-P337 HydrophobicContact CZ-CB 4.05Å; P337-R339 VanDerWaalsContact C-N 3.35Å; P337-L340 HydrophobicContact CB-CD2 4.26Å; P337-L340 HydrophobicContact CG-CD2 3.55Å; P337-L340 HydrophobicContact CG-CG 4.37Å; P337-F351 HydrophobicContact CB-CD1 4.3Å; P337-F351 HydrophobicContact CB-CE1 4Å; P337-F351 HydrophobicContact CG-CD1 4.34Å; P337-F351 HydrophobicContact CG-CE1 3.71Å; P337-F351 HydrophobicContact CG-CZ 4.19Å
338	D	85.1	Confident	87.3	Confident	136 Å²	136	67 Å²	67	73%	0.727	35%	0.353	S	S	*	.	S	Bend	trans	-75.9	-27.9	173.7	-66.5	-39.5	0	0	0	112.5	Y181	Y181-D338 WeakPolarHBondContact CE2-O 3.41Å
339	R	88.3	Confident	86.3	Confident	204 Å²	204	66.5 Å²	66.5	77%	0.77	35%	0.352	S	S	*	.	S	Bend	trans	-143.5	144.7	176.1	-61.7	-172	-176	-147.4	1.8	110.3	P337	P337-R339 VanDerWaalsContact C-N 3.35Å
340	L	91.5	Very high	85.2	Confident	11 Å²	11	67 Å²	67	6%	0.058	36%	0.355	C	S	.	.			trans	-99.5	142.1	168.5	-68.5	-177.1	0	0	0	110.3	E178 Y181 Y182 M214 P337 F351	E178-L340 HydrophobicContact CB-CD1 4.37Å; E178-L340 HydrophobicContact CG-CD1 4.19Å; E178-L340 HydrophobicContact CG-CD2 4.29Å; Y181-L340 HydrophobicContact CD1-CB 4.41Å; Y181-L340 HydrophobicContact CD1-CD1 3.24Å; Y181-L340 HydrophobicContact CD1-CG 3.5Å; Y181-L340 HydrophobicContact CD2-CG 4.36Å; Y181-L340 HydrophobicContact CE1-CB 4.12Å; Y181-L340 HydrophobicContact CE1-CD1 3.71Å; Y181-L340 HydrophobicContact CE1-CG 3.7Å; Y181-L340 HydrophobicContact CG-CD1 3.89Å; Y181-L340 HydrophobicContact CG-CG 3.82Å; Y182-L340 HydrophobicContact CE1-CD1 4.24Å; Y182-L340 HydrophobicContact CE2-CD1 3.77Å; M214-L340 HydrophobicContact CB-CB 4.29Å; M214-L340 WeakPolarHBondContact CB-O 3.36Å; M214-L340 HydrophobicContact CE-CB 3.86Å; M214-L340 HydrophobicContact CE-CD1 4.43Å; M214-L340 WeakPolarHBondContact CG-O 3.46Å; P337-L340 HydrophobicContact CB-CD2 4.26Å; P337-L340 HydrophobicContact CG-CD2 3.55Å; P337-L340 HydrophobicContact CG-CG 4.37Å; L340-F351 HydrophobicContact CD2-CE1 3.49Å; L340-F351 VanDerWaalsContact CD2-CE1 3.49Å; L340-F351 HydrophobicContact CD2-CZ 3.52Å
341	S	91.4	Very high	83.6	Confident	69 Å²	69	69.5 Å²	69.5	48%	0.483	37%	0.366	S	S	.	.			trans	-70.1	148.3	168.5	176.7	0	0	0	0	110.4	S343 C344	S341-S343 PolarHBondContact O-N 3.37Å; S341-S343 VanDerWaalsContact O-N 3.12Å; S341-S343 PolarHBondContact OG-N 2.87Å; S341-S343 PolarHBondContact OG-OG 2.95Å; S341-S343 VanDerWaalsContact OG-OG 3.11Å; S341-C344 VanDerWaalsContact O-CB 3.24Å; S341-C344 WeakPolarHBondContact O-CB 3.46Å; S341-C344 PolarHBondContact O-N 2.74Å; S341-C344 PolarHBondContact O-SG 3.36Å
342	S	92.1	Very high	81.6	Confident	55 Å²	55	72.5 Å²	72.5	39%	0.385	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-59.6	-21.6	173.5	54.8	0	0	0	0	114.1	C344 C345	S342-C344 PolarHBondContact O-N 2.7Å; S342-C345 WeakPolarHBondContact O-CB 3.39Å; S342-C345 PolarHBondContact O-N 2.93Å; S342-C345 PolarHBondContact O-SG 2.83Å
343	S	90.3	Very high	79.6	Confident	52 Å²	52	75.4 Å²	75.4	36%	0.364	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-59.4	-28.9	173.3	60	0	0	0	0	111.9	S341 C345 H346 T347	S341-S343 PolarHBondContact O-N 3.37Å; S341-S343 VanDerWaalsContact O-N 3.12Å; S341-S343 PolarHBondContact OG-N 2.87Å; S341-S343 PolarHBondContact OG-OG 2.95Å; S341-S343 VanDerWaalsContact OG-OG 3.11Å; S343-C345 PolarHBondContact O-N 3.09Å; S343-H346 PolarHBondContact O-N 2.68Å; S343-T347 PolarHBondContact O-N 3.33Å; S343-T347 PolarHBondContact O-OG1 3.13Å; S343-T347 VanDerWaalsContact O-OG1 3.08Å
344	C	92.4	Very high	77.4	Confident	2 Å²	2	74.8 Å²	74.8	1%	0.014	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-59	-19.5	178.1	-53.2	0	0	0	0	113.1	R171 M214 S341 S342 H346 T347	R171-C344 PolarHBondContact NH1-O 3.41Å; M214-C344 HydrophobicContact CE-CB 4.01Å; S341-C344 VanDerWaalsContact O-CB 3.24Å; S341-C344 WeakPolarHBondContact O-CB 3.46Å; S341-C344 PolarHBondContact O-N 2.74Å; S341-C344 PolarHBondContact O-SG 3.36Å; S342-C344 PolarHBondContact O-N 2.7Å; C344-H346 PolarHBondContact O-N 2.83Å; C344-T347 WeakPolarHBondContact CA-O 3.48Å
345	C	90.3	Very high	75.7	Confident	9 Å²	9	75.7 Å²	75.7	6%	0.061	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-61.3	-24.4	172.3	-64.1	0	0	0	0	113.2	I167 M214 S342 S343	I167-C345 HydrophobicContact CG1-CB 4.34Å; M214-C345 VanDerWaalsContact SD-SG 3.63Å; S342-C345 WeakPolarHBondContact O-CB 3.39Å; S342-C345 PolarHBondContact O-N 2.93Å; S342-C345 PolarHBondContact O-SG 2.83Å; S343-C345 PolarHBondContact O-N 3.09Å
346	H	86.1	Confident	73.7	Confident	144 Å²	144	74.1 Å²	74.1	67%	0.667	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.9	-31.4	-171.2	-55.2	101.6	0	0	0	113.7	R171 S343 C344	R171-H346 VanDerWaalsContact CD-O 3.31Å; R171-H346 WeakPolarHBondContact CD-O 3.34Å; S343-H346 PolarHBondContact O-N 2.68Å; C344-H346 PolarHBondContact O-N 2.83Å
347	T	80.7	Confident	71.6	Confident	78 Å²	78	72.8 Å²	72.8	48%	0.479	40%	0.402	S	S	.	.	S	Bend	trans	-117.7	149.7	-177.8	58.3	0	0	0	0	111.1	R171 S343 C344 P349	R171-T347 VanDerWaalsContact CZ-O 3.26Å; R171-T347 PolarHBondContact NE-O 2.93Å; R171-T347 PolarHBondContact NH1-O 3.01Å; S343-T347 PolarHBondContact O-N 3.33Å; S343-T347 PolarHBondContact O-OG1 3.13Å; S343-T347 VanDerWaalsContact O-OG1 3.08Å; C344-T347 WeakPolarHBondContact CA-O 3.48Å; T347-P349 WeakPolarHBondContact O-CD 3.38Å
348	V	81.3	Confident	69.5	Low	99 Å²	99	75.9 Å²	75.9	60%	0.6	42%	0.415	S	S	*	.			trans	-66.7	124.5	174.2	-177.3	0	0	0	0	109	R171 T175	R171-V348 VanDerWaalsContact CZ-CA 3.48Å; T175-V348 HydrophobicContact CG2-CG1 3.72Å
349	P	75.9	Confident	67.7	Low	21 Å²	21	75.1 Å²	75.1	14%	0.136	41%	0.411	C	S	.	.			trans	-65.5	150.3	178.8	22.8	-32.2	0	0	0	112.4	E178 T347 F351	E178-P349 VanDerWaalsContact CD-CD 3.47Å; E178-P349 HydrophobicContact CG-CG 3.73Å; E178-P349 WeakPolarHBondContact OE1-CD 3.18Å; E178-P349 WeakPolarHBondContact OE2-CD 3.09Å; T347-P349 WeakPolarHBondContact O-CD 3.38Å; P349-F351 HydrophobicContact CB-CD1 4.37Å; P349-F351 HydrophobicContact CB-CD2 4.23Å; P349-F351 HydrophobicContact CB-CE1 3.85Å; P349-F351 HydrophobicContact CB-CE2 3.72Å; P349-F351 HydrophobicContact CB-CZ 3.51Å; P349-F351 HydrophobicContact CG-CD2 4.02Å; P349-F351 HydrophobicContact CG-CE1 4.06Å; P349-F351 HydrophobicContact CG-CE2 3.18Å; P349-F351 HydrophobicContact CG-CZ 3.2Å
350	D	68.3	Low	65.7	Low	90 Å²	90	68.9 Å²	68.9	48%	0.481	39%	0.389	S	S	.	.			trans	-99.4	104.8	164.6	-161.5	-17.2	0	0	0	109	H352 K358	D350-H352 VanDerWaalsContact C-N 3.28Å; D350-H352 WeakPolarHBondContact OD1-CB 3.48Å; D350-H352 IonicContact OD1-CD2 3.19Å; D350-H352 IonicContact OD1-CG 2.77Å; D350-H352 PolarHBondContact OD1-N 3.4Å; D350-H352 VanDerWaalsContact OD1-N 3.07Å; D350-K358 IonicContact OD1-NZ 2.62Å; D350-K358 PolarHBondContact OD1-NZ 3.26Å; D350-K358 WeakPolarHBondContact OD2-CD 3.09Å; D350-K358 WeakPolarHBondContact OD2-CE 3.46Å; D350-K358 IonicContact OD2-NZ 2.97Å; D350-K358 PolarHBondContact OD2-NZ 2.97Å
351	F	62.5	Low	63.7	Low	54 Å²	54	69.4 Å²	69.4	24%	0.237	39%	0.391	C	S	.	.			trans	-87.2	3.8	178.2	-65.7	-60.6	0	0	0	113.7	T175 P177 E178 F335 P337 L340 P349	T175-F351 WeakPolarHBondContact OG1-CE2 3.5Å; P177-F351 HydrophobicContact CB-CD2 3.76Å; P177-F351 HydrophobicContact CB-CE2 3.61Å; P177-F351 HydrophobicContact CB-CG 4.29Å; P177-F351 HydrophobicContact CB-CZ 4.06Å; P177-F351 HydrophobicContact CG-CD2 3.75Å; P177-F351 HydrophobicContact CG-CE2 3.95Å; P177-F351 HydrophobicContact CG-CG 4.45Å; E178-F351 HydrophobicContact CG-CE2 3.88Å; E178-F351 HydrophobicContact CG-CZ 3.63Å; F335-F351 HydrophobicContact CD1-CB 4.18Å; F335-F351 HydrophobicContact CD1-CG 4.45Å; F335-F351 HydrophobicContact CE1-CB 3.79Å; F335-F351 AromaticContact CE1-CD1 3.83Å; F335-F351 HydrophobicContact CE1-CD1 3.83Å; F335-F351 AromaticContact CE1-CG 3.95Å; F335-F351 HydrophobicContact CE1-CG 3.95Å; P337-F351 HydrophobicContact CB-CD1 4.3Å; P337-F351 HydrophobicContact CB-CE1 4Å; P337-F351 HydrophobicContact CG-CD1 4.34Å; P337-F351 HydrophobicContact CG-CE1 3.71Å; P337-F351 HydrophobicContact CG-CZ 4.19Å; L340-F351 HydrophobicContact CD2-CE1 3.49Å; L340-F351 VanDerWaalsContact CD2-CE1 3.49Å; L340-F351 HydrophobicContact CD2-CZ 3.52Å; P349-F351 HydrophobicContact CB-CD1 4.37Å; P349-F351 HydrophobicContact CB-CD2 4.23Å; P349-F351 HydrophobicContact CB-CE1 3.85Å; P349-F351 HydrophobicContact CB-CE2 3.72Å; P349-F351 HydrophobicContact CB-CZ 3.51Å; P349-F351 HydrophobicContact CG-CD2 4.02Å; P349-F351 HydrophobicContact CG-CE1 4.06Å; P349-F351 HydrophobicContact CG-CE2 3.18Å; P349-F351 HydrophobicContact CG-CZ 3.2Å
352	H	51.3	Low	61.6	Low	84 Å²	84	74 Å²	74	39%	0.389	40%	0.402	S	S	.	.	S	Bend	trans	-85.1	132.4	174.5	-66.9	-91.3	0	0	0	109.6	D350 S354 K358 N509	D350-H352 VanDerWaalsContact C-N 3.28Å; D350-H352 WeakPolarHBondContact OD1-CB 3.48Å; D350-H352 IonicContact OD1-CD2 3.19Å; D350-H352 IonicContact OD1-CG 2.77Å; D350-H352 PolarHBondContact OD1-N 3.4Å; D350-H352 VanDerWaalsContact OD1-N 3.07Å; H352-S354 PolarHBondContact O-N 3.43Å; H352-S354 VanDerWaalsContact O-N 3.17Å; H352-K358 PolarHBondContact CD2-NZ 2.74Å; H352-N509 PolarHBondContact CE1-ND2 2.97Å; H352-N509 VanDerWaalsContact CE1-ND2 3.25Å; H352-N509 PolarHBondContact NE2-ND2 2.68Å
353	L	39.2	Very low	59.6	Low	170 Å²	170	79.2 Å²	79.2	89%	0.89	42%	0.418	S	S	*	.			trans	-45.9	124.9	151	-71	164.4	0	0	0	106.6	S355	L353-S355 PolarHBondContact O-N 3.33Å
354	S	31.8	Very low	57.3	Low	118 Å²	118	77.8 Å²	77.8	83%	0.825	41%	0.41	S	S	*	.			trans	-65.7	92.8	-165.9	-10.8	0	0	0	0	109.6	H352	H352-S354 PolarHBondContact O-N 3.43Å; H352-S354 VanDerWaalsContact O-N 3.17Å
355	S	37.8	Very low	55	Low	40 Å²	40	79 Å²	79	28%	0.28	42%	0.42	S	S	.	.			trans	-81.4	127.4	165.9	168.4	0	0	0	0	108.3	L353 A357 K358 Y575	L353-S355 PolarHBondContact O-N 3.33Å; S355-A357 PolarHBondContact O-N 2.89Å; S355-A357 WeakPolarHBondContact OG-CB 3.45Å; S355-A357 PolarHBondContact OG-N 3.46Å; S355-K358 PolarHBondContact O-N 3.28Å; S355-Y575 PolarHBondContact OG-OH 2.75Å
356	P	39.8	Very low	53.1	Low	85 Å²	85	81.4 Å²	81.4	55%	0.552	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	-25.9	172.7	-29.8	35.7	0	0	0	114.1	K358	P356-K358 PolarHBondContact O-N 3.09Å
357	A	41.9	Very low	51.2	Low	0 Å²	0	78.8 Å²	78.8	0%	0	44%	0.444	C	S	.	.	H	α-helix	trans	-55.1	-38.7	177.6	0	0	0	0	0	112.4	S355 N359 F360 F361 Y507 Y571 Y575	S355-A357 PolarHBondContact O-N 2.89Å; S355-A357 WeakPolarHBondContact OG-CB 3.45Å; S355-A357 PolarHBondContact OG-N 3.46Å; A357-N359 PolarHBondContact O-N 3.37Å; A357-F360 CarbonylContact O-C 3.56Å; A357-F360 WeakPolarHBondContact O-CA 3.01Å; A357-F360 WeakPolarHBondContact O-CB 3.44Å; A357-F360 PolarHBondContact O-N 3.28Å; A357-F361 HydrophobicContact CB-CD2 3.89Å; A357-F361 HydrophobicContact CB-CE2 3.68Å; A357-F361 WeakPolarHBondContact O-CD2 3.43Å; A357-F361 PolarHBondContact O-N 2.91Å; A357-Y507 HydrophobicContact CB-CE2 4.25Å; A357-Y507 WeakPolarHBondContact CB-OH 3.39Å; A357-Y571 PolarHBondContact O-OH 3.41Å; A357-Y575 HydrophobicContact CB-CD1 4.15Å; A357-Y575 HydrophobicContact CB-CD2 3.44Å; A357-Y575 VanDerWaalsContact CB-CD2 3.44Å; A357-Y575 HydrophobicContact CB-CE1 3.81Å; A357-Y575 HydrophobicContact CB-CE2 3.09Å; A357-Y575 HydrophobicContact CB-CG 3.97Å
358	K	42.6	Very low	49.4	Very low	72 Å²	72	79.7 Å²	79.7	31%	0.313	45%	0.445	S	S	.	.	H	α-helix	trans	-66.6	-37.8	-168.8	-165.2	176.1	179.5	-176.3	0	113.7	D350 H352 S355 P356 F360 F361 K362	D350-K358 IonicContact OD1-NZ 2.62Å; D350-K358 PolarHBondContact OD1-NZ 3.26Å; D350-K358 WeakPolarHBondContact OD2-CD 3.09Å; D350-K358 WeakPolarHBondContact OD2-CE 3.46Å; D350-K358 IonicContact OD2-NZ 2.97Å; D350-K358 PolarHBondContact OD2-NZ 2.97Å; H352-K358 PolarHBondContact CD2-NZ 2.74Å; S355-K358 PolarHBondContact O-N 3.28Å; P356-K358 PolarHBondContact O-N 3.09Å; K358-F360 VanDerWaalsContact C-N 3.29Å; K358-F361 PolarHBondContact O-N 3.37Å; K358-K362 PolarHBondContact O-N 2.95Å
359	N	46.5	Very low	47.6	Very low	121 Å²	121	81.9 Å²	81.9	65%	0.647	45%	0.447	S	S	*	.	H	α-helix	trans	-68.8	-33.8	174.8	-75.4	-29.8	0	0	0	111.4	A357 K363	A357-N359 PolarHBondContact O-N 3.37Å; N359-K363 WeakPolarHBondContact O-CG 3.31Å; N359-K363 PolarHBondContact O-N 3.16Å
360	F	46	Very low	45.9	Very low	73 Å²	73	83.6 Å²	83.6	32%	0.32	47%	0.469	S	S	.	.	H	α-helix	trans	-67.6	-42.9	172.5	-172.1	-117.4	0	0	0	111	A357 K358 K362 K363 A364 Y571 H574	A357-F360 CarbonylContact O-C 3.56Å; A357-F360 WeakPolarHBondContact O-CA 3.01Å; A357-F360 WeakPolarHBondContact O-CB 3.44Å; A357-F360 PolarHBondContact O-N 3.28Å; K358-F360 VanDerWaalsContact C-N 3.29Å; F360-K362 PolarHBondContact O-N 3.43Å; F360-K363 PolarHBondContact O-N 3.18Å; F360-A364 WeakPolarHBondContact O-CB 3.45Å; F360-A364 PolarHBondContact O-N 2.9Å; F360-Y571 VanDerWaalsContact C-OH 3.25Å; F360-Y571 VanDerWaalsContact CB-OH 3.3Å; F360-Y571 WeakPolarHBondContact CB-OH 3.46Å; F360-Y571 HydrophobicContact CD1-CD2 4.19Å; F360-Y571 AromaticContact CD1-CE1 3.98Å; F360-Y571 HydrophobicContact CD1-CE1 3.98Å; F360-Y571 AromaticContact CD1-CE2 3.21Å; F360-Y571 HydrophobicContact CD1-CE2 3.21Å; F360-Y571 AromaticContact CD1-CZ 3.12Å; F360-Y571 WeakPolarHBondContact CD1-OH 3.24Å; F360-Y571 AromaticContact CE1-CD2 3.85Å; F360-Y571 HydrophobicContact CE1-CD2 3.85Å; F360-Y571 HydrophobicContact CE1-CE1 4.33Å; F360-Y571 AromaticContact CE1-CE2 3.31Å; F360-Y571 HydrophobicContact CE1-CE2 3.31Å; F360-Y571 AromaticContact CE1-CZ 3.63Å; F360-Y571 HydrophobicContact CG-CE2 4.05Å; F360-Y571 WeakPolarHBondContact CG-OH 3.3Å; F360-Y571 HydrophobicContact CZ-CE2 4.32Å; F360-H574 AromaticContact CE1-CD2 3.65Å; F360-H574 AromaticContact CZ-CD2 3.46Å; F360-H574 VanDerWaalsContact CZ-CD2 3.46Å; F360-H574 WeakPolarHBondContact CZ-CD2 3.45Å; F360-H574 AromaticContact CZ-NE2 3.81Å
361	F	49.5	Very low	44.4	Very low	22 Å²	22	82.6 Å²	82.6	10%	0.096	48%	0.48	C	S	.	.	H	α-helix	trans	-64.9	-37.9	179	-84.7	-72.8	0	0	0	112	A357 K358 K363 A365 Y507 Y571 F572	A357-F361 HydrophobicContact CB-CD2 3.89Å; A357-F361 HydrophobicContact CB-CE2 3.68Å; A357-F361 WeakPolarHBondContact O-CD2 3.43Å; A357-F361 PolarHBondContact O-N 2.91Å; K358-F361 PolarHBondContact O-N 3.37Å; F361-K363 VanDerWaalsContact C-N 3.34Å; F361-A365 WeakPolarHBondContact O-CB 3.1Å; F361-A365 PolarHBondContact O-N 2.83Å; F361-Y507 AromaticContact CD2-CE1 3.91Å; F361-Y507 HydrophobicContact CD2-CE1 3.91Å; F361-Y507 HydrophobicContact CD2-CE2 4.17Å; F361-Y507 AromaticContact CD2-CZ 3.6Å; F361-Y507 HydrophobicContact CE2-CD1 4.33Å; F361-Y507 AromaticContact CE2-CD2 3.93Å; F361-Y507 HydrophobicContact CE2-CD2 3.93Å; F361-Y507 AromaticContact CE2-CE1 3.78Å; F361-Y507 HydrophobicContact CE2-CE1 3.78Å; F361-Y507 AromaticContact CE2-CE2 3.35Å; F361-Y507 HydrophobicContact CE2-CE2 3.35Å; F361-Y507 HydrophobicContact CE2-CG 4.4Å; F361-Y507 AromaticContact CE2-CZ 3.26Å; F361-Y507 HydrophobicContact CZ-CD2 4.07Å; F361-Y507 HydrophobicContact CZ-CE1 4.38Å; F361-Y507 AromaticContact CZ-CE2 3.96Å; F361-Y507 HydrophobicContact CZ-CE2 3.96Å; F361-Y507 HydrophobicContact CZ-CG 4.37Å; F361-Y571 VanDerWaalsContact CA-OH 3.3Å; F361-Y571 WeakPolarHBondContact CA-OH 3.29Å; F361-Y571 HydrophobicContact CB-CE2 4.37Å; F361-Y571 AromaticContact CD1-CD1 3.64Å; F361-Y571 HydrophobicContact CD1-CD1 3.64Å; F361-Y571 HydrophobicContact CD1-CD2 4.01Å; F361-Y571 AromaticContact CD1-CE1 3.35Å; F361-Y571 HydrophobicContact CD1-CE1 3.35Å; F361-Y571 AromaticContact CD1-CE2 3.63Å; F361-Y571 HydrophobicContact CD1-CE2 3.63Å; F361-Y571 AromaticContact CD1-CG 3.98Å; F361-Y571 HydrophobicContact CD1-CG 3.98Å; F361-Y571 AromaticContact CD1-CZ 3.24Å; F361-Y571 AromaticContact CD2-CE1 3.55Å; F361-Y571 HydrophobicContact CD2-CE1 3.55Å; F361-Y571 AromaticContact CD2-CZ 3.47Å; F361-Y571 VanDerWaalsContact CD2-CZ 3.47Å; F361-Y571 WeakPolarHBondContact CD2-OH 2.94Å; F361-Y571 AromaticContact CE1-CD1 2.99Å; F361-Y571 HydrophobicContact CE1-CD1 2.99Å; F361-Y571 HydrophobicContact CE1-CD2 4.15Å; F361-Y571 AromaticContact CE1-CE1 2.98Å; F361-Y571 HydrophobicContact CE1-CE1 2.98Å; F361-Y571 HydrophobicContact CE1-CE2 4.05Å; F361-Y571 AromaticContact CE1-CG 3.63Å; F361-Y571 HydrophobicContact CE1-CG 3.63Å; F361-Y571 AromaticContact CE1-CZ 3.47Å; F361-Y571 VanDerWaalsContact CE1-CZ 3.47Å; F361-Y571 AromaticContact CE2-CD1 3.96Å; F361-Y571 HydrophobicContact CE2-CD1 3.96Å; F361-Y571 AromaticContact CE2-CE1 3.15Å; F361-Y571 HydrophobicContact CE2-CE1 3.15Å; F361-Y571 AromaticContact CE2-CZ 3.62Å; F361-Y571 WeakPolarHBondContact CE2-OH 3.32Å; F361-Y571 HydrophobicContact CG-CD1 4.37Å; F361-Y571 AromaticContact CG-CE1 3.63Å; F361-Y571 HydrophobicContact CG-CE1 3.63Å; F361-Y571 AromaticContact CG-CE2 3.91Å; F361-Y571 HydrophobicContact CG-CE2 3.91Å; F361-Y571 AromaticContact CG-CZ 3.26Å; F361-Y571 WeakPolarHBondContact CG-OH 3.5Å; F361-Y571 AromaticContact CZ-CD1 3.18Å; F361-Y571 HydrophobicContact CZ-CD1 3.18Å; F361-Y571 AromaticContact CZ-CE1 2.86Å; F361-Y571 HydrophobicContact CZ-CE1 2.86Å; F361-Y571 HydrophobicContact CZ-CG 4.25Å; F361-Y571 AromaticContact CZ-CZ 3.64Å; F361-Y571 PolarHBondContact N-OH 2.92Å; F361-F572 HydrophobicContact CE1-CD1 4.05Å; F361-F572 AromaticContact CE1-CE1 3.78Å; F361-F572 HydrophobicContact CE1-CE1 3.78Å; F361-F572 AromaticContact CZ-CD1 3.68Å; F361-F572 HydrophobicContact CZ-CD1 3.68Å; F361-F572 AromaticContact CZ-CE1 3.44Å; F361-F572 HydrophobicContact CZ-CE1 3.44Å; F361-F572 VanDerWaalsContact CZ-CE1 3.44Å
362	K	47.9	Very low	43.4	Very low	164 Å²	164	90.4 Å²	90.4	71%	0.713	51%	0.514	S	S	*	.	H	α-helix	trans	-65.8	-37.8	177.3	-169.6	177.7	179.4	-178.2	0	111.7	K358 F360 A366	K358-K362 PolarHBondContact O-N 2.95Å; F360-K362 PolarHBondContact O-N 3.43Å; K362-A366 WeakPolarHBondContact O-CB 3.48Å; K362-A366 PolarHBondContact O-N 2.9Å
363	K	49.1	Very low	42.8	Very low	165 Å²	165	95.6 Å²	95.6	72%	0.717	54%	0.535	S	S	*	.	H	α-helix	trans	-71.2	-45.9	175.1	-73.8	-179.3	178	-178.5	0	111.8	N359 F360 F361 A366 A367	N359-K363 WeakPolarHBondContact O-CG 3.31Å; N359-K363 PolarHBondContact O-N 3.16Å; F360-K363 PolarHBondContact O-N 3.18Å; F361-K363 VanDerWaalsContact C-N 3.34Å; K363-A366 PolarHBondContact O-N 3.42Å; K363-A367 PolarHBondContact O-N 3.39Å; K363-A367 VanDerWaalsContact O-N 3.11Å
364	A	43.3	Very low	42.5	Very low	23 Å²	23	93.7 Å²	93.7	19%	0.19	53%	0.526	C	S	.	.	H	α-helix	trans	-63	-46.3	178.1	0	0	0	0	0	112.3	F360 A366 A367 L368 Y571	F360-A364 WeakPolarHBondContact O-CB 3.45Å; F360-A364 PolarHBondContact O-N 2.9Å; A364-A366 VanDerWaalsContact C-N 3.29Å; A364-A366 PolarHBondContact O-N 2.89Å; A364-A367 WeakPolarHBondContact O-CB 3.18Å; A364-A367 PolarHBondContact O-N 2.97Å; A364-A367 VanDerWaalsContact O-N 3.11Å; A364-L368 WeakPolarHBondContact O-CD1 3.41Å; A364-L368 WeakPolarHBondContact O-CG 3.38Å; A364-L368 PolarHBondContact O-N 3.28Å; A364-Y571 HydrophobicContact CB-CD2 3.82Å; A364-Y571 HydrophobicContact CB-CE2 3.72Å
365	A	44.2	Very low	42.6	Very low	28 Å²	28	99 Å²	99	23%	0.231	53%	0.534	C	S	.	.	H	α-helix	trans	-65.3	-31.1	177.8	0	0	0	0	0	112.9	F361 L368 F369	F361-A365 WeakPolarHBondContact O-CB 3.1Å; F361-A365 PolarHBondContact O-N 2.83Å; A365-L368 PolarHBondContact O-N 3.38Å; A365-F369 HydrophobicContact CB-CD2 4.46Å; A365-F369 WeakPolarHBondContact O-CA 3.39Å; A365-F369 WeakPolarHBondContact O-CB 3.47Å; A365-F369 PolarHBondContact O-N 3.07Å
366	A	50.4	Low	42.4	Very low	59 Å²	59	101.4 Å²	101.4	49%	0.488	56%	0.556	S	S	.	*	H	α-helix	trans	-68.4	-35.2	172.7	0	0	0	0	0	112.2	K362 K363 A364 G370	K362-A366 WeakPolarHBondContact O-CB 3.48Å; K362-A366 PolarHBondContact O-N 2.9Å; K363-A366 PolarHBondContact O-N 3.42Å; A364-A366 VanDerWaalsContact C-N 3.29Å; A364-A366 PolarHBondContact O-N 2.89Å; A366-G370 WeakPolarHBondContact O-CA 3.18Å; A366-G370 PolarHBondContact O-N 2.95Å
367	A	46.3	Very low	42.1	Very low	89 Å²	89	107 Å²	107	74%	0.736	57%	0.566	S	S	*	*	H	α-helix	trans	-70.7	-34.4	174.8	0	0	0	0	0	112.8	K363 A364	K363-A367 PolarHBondContact O-N 3.39Å; K363-A367 VanDerWaalsContact O-N 3.11Å; A364-A367 WeakPolarHBondContact O-CB 3.18Å; A364-A367 PolarHBondContact O-N 2.97Å; A364-A367 VanDerWaalsContact O-N 3.11Å
368	L	41.4	Very low	41.9	Very low	97 Å²	97	116.2 Å²	116.2	51%	0.508	60%	0.602	S	S	.	*	H	α-helix	trans	-90.1	-32.3	-175.2	-68.7	157.8	0	0	0	114.1	A364 A365 T567	A364-L368 WeakPolarHBondContact O-CD1 3.41Å; A364-L368 WeakPolarHBondContact O-CG 3.38Å; A364-L368 PolarHBondContact O-N 3.28Å; A365-L368 PolarHBondContact O-N 3.38Å; L368-T567 HydrophobicContact CD1-CG2 3.25Å; L368-T567 HydrophobicContact CD2-CG2 4.02Å; L368-T567 HydrophobicContact CG-CG2 4.23Å
369	F	45.2	Very low	41.4	Very low	144 Å²	144	119.8 Å²	119.8	63%	0.632	63%	0.625	S	S	*	*	H	α-helix	trans	-128	-0.9	-171.6	-56.5	-76.6	0	0	0	113.5	A365 G371	A365-F369 HydrophobicContact CB-CD2 4.46Å; A365-F369 WeakPolarHBondContact O-CA 3.39Å; A365-F369 WeakPolarHBondContact O-CB 3.47Å; A365-F369 PolarHBondContact O-N 3.07Å; F369-G371 PolarHBondContact O-N 3.3Å
370	G	39.1	Very low	40.7	Very low	58 Å²	58	121.4 Å²	121.4	60%	0.598	63%	0.633	S	S	*	*	S	Bend	trans	-85.1	84.1	-179.2	0	0	0	0	0	113.7	A366	A366-G370 WeakPolarHBondContact O-CA 3.18Å; A366-G370 PolarHBondContact O-N 2.95Å
371	G	36.2	Very low	40.1	Very low	69 Å²	69	122.9 Å²	122.9	71%	0.711	65%	0.649	S	S	*	*			trans	100.2	120.5	148.8	0	0	0	0	0	117.1	F369 K373	F369-G371 PolarHBondContact O-N 3.3Å; G371-K373 PolarHBondContact O-N 3.45Å; G371-K373 VanDerWaalsContact O-N 3.11Å
372	K	42.6	Very low	39.5	Very low	218 Å²	218	129.2 Å²	129.2	95%	0.948	68%	0.678	S	S	*	*			trans	-53.6	108.4	165.9	-69.2	172.5	175.6	176	0	111
373	K	37.3	Very low	38.9	Very low	192 Å²	192	128.9 Å²	128.9	84%	0.835	68%	0.684	S	S	*	*			trans	-151.9	125.2	134.8	-108.3	178.5	-179.6	-177.6	0	109	G371	G371-K373 PolarHBondContact O-N 3.45Å; G371-K373 VanDerWaalsContact O-N 3.11Å
374	D	34.6	Very low	38.3	Very low	131 Å²	131	129.1 Å²	129.1	70%	0.701	69%	0.685	S	S	*	*			trans	73.5	81.1	168.4	-51.6	-22.6	0	0	0	118	A376	D374-A376 PolarHBondContact O-N 2.94Å
375	K	33.1	Very low	38.2	Very low	229 Å²	229	133.8 Å²	133.8	100%	0.996	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	22.1	161.2	-102.1	-172.9	174.2	-170.7	0	114.6
376	A	33.9	Very low	38	Very low	90 Å²	90	136.4 Å²	136.4	74%	0.744	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.4	9.4	-172.9	0	0	0	0	0	115	D374	D374-A376 PolarHBondContact O-N 2.94Å
377	R	32.5	Very low	37.4	Very low	203 Å²	203	140.9 Å²	140.9	77%	0.766	74%	0.736	S	S	*	*			trans	-128.2	47.2	175.6	-70	-164.9	-169.5	-175.4	3.7	113.5	T381	R377-T381 PolarHBondContact O-OG1 3.33Å
378	Y	38.9	Very low	37.4	Very low	193 Å²	193	143.9 Å²	143.9	76%	0.757	74%	0.735	S	S	*	*	S	Bend	trans	-91.9	-31.7	173.5	-170.5	-108.6	0	0	0	112.7
379	N	31.1	Very low	37.5	Very low	148 Å²	148	144.1 Å²	144.1	79%	0.791	74%	0.737	S	S	*	*	S	Bend	trans	-88.2	-10.5	-174.9	-73.3	3.6	0	0	0	115.6
380	D	31.2	Very low	37.2	Very low	154 Å²	154	142.8 Å²	142.8	82%	0.824	73%	0.733	S	S	*	*	S	Bend	trans	-106.6	0.5	-170.4	-146	17.2	0	0	0	113.9
381	T	33.7	Very low	37.3	Very low	104 Å²	104	144.4 Å²	144.4	64%	0.638	73%	0.728	S	S	*	*			trans	-104.1	15.4	-178.6	-22.5	0	0	0	0	112.7	R377 N383	R377-T381 PolarHBondContact O-OG1 3.33Å; T381-N383 PolarHBondContact O-N 3.17Å
382	H	37.6	Very low	37.9	Very low	155 Å²	155	145.3 Å²	145.3	72%	0.718	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	17.5	-177.7	-123.1	-23.5	0	0	0	114.9
383	N	36.2	Very low	37.7	Very low	158 Å²	158	142.8 Å²	142.8	85%	0.845	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.2	28.7	-173.9	-102.4	-13.5	0	0	0	116.8	T381	T381-N383 PolarHBondContact O-N 3.17Å
384	K	34.7	Very low	37.8	Very low	169 Å²	169	140.1 Å²	140.1	74%	0.735	69%	0.689	S	S	*	*			trans	-134.9	74.8	172	-90.7	-176.8	176.3	170.7	0	113.4	S386	K384-S386 PolarHBondContact O-N 3.47Å
385	V	41	Very low	37.9	Very low	122 Å²	122	139.7 Å²	139.7	74%	0.739	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-11	166.9	173.9	0	0	0	0	112.6
386	S	41.8	Very low	38.3	Very low	83 Å²	83	137 Å²	137	58%	0.58	67%	0.67	S	S	*	*	H	α-helix	trans	-89	-9	-168	54.9	0	0	0	0	117.1	K384	K384-S386 PolarHBondContact O-N 3.47Å
387	K	37.9	Very low	38.5	Very low	152 Å²	152	138.1 Å²	138.1	66%	0.661	66%	0.659	S	S	*	*	H	α-helix	trans	-96.6	-28.4	-173	-149	178.7	-178.1	-175	0	114	D391	K387-D391 PolarHBondContact O-N 3.36Å
388	E	46.1	Very low	38.6	Very low	152 Å²	152	133.9 Å²	133.9	71%	0.71	65%	0.652	S	S	*	*	H	α-helix	trans	-72.3	-34.6	175.5	-70.2	179.8	160.4	0	0	111.6	E390 D391 I392	E388-E390 PolarHBondContact O-N 3.26Å; E388-D391 PolarHBondContact O-N 3.24Å; E388-I392 WeakPolarHBondContact O-CD1 3.27Å; E388-I392 VanDerWaalsContact O-CG1 3.24Å; E388-I392 WeakPolarHBondContact O-CG1 3.23Å; E388-I392 PolarHBondContact O-N 2.83Å; E388-I392 VanDerWaalsContact O-N 3.1Å
389	D	42.8	Very low	38.4	Very low	103 Å²	103	130.8 Å²	130.8	55%	0.551	65%	0.648	S	S	*	*	H	α-helix	trans	-65.4	-34.9	176.7	-75.5	-27.6	0	0	0	113	Y393	D389-Y393 WeakPolarHBondContact O-CB 3.04Å; D389-Y393 PolarHBondContact O-N 3.24Å
390	E	39.3	Very low	38.5	Very low	116 Å²	116	132.5 Å²	132.5	54%	0.542	65%	0.649	S	S	.	*	H	α-helix	trans	-72	-37.4	177.5	-84.8	-70.1	172.7	0	0	113	E388 I392 Y393 K394	E388-E390 PolarHBondContact O-N 3.26Å; E390-I392 VanDerWaalsContact C-N 3.35Å; E390-Y393 PolarHBondContact O-N 3.45Å; E390-K394 PolarHBondContact O-N 3.29Å
391	D	41.4	Very low	38.7	Very low	92 Å²	92	133.1 Å²	133.1	49%	0.492	64%	0.644	S	S	.	*	H	α-helix	trans	-71.8	-32.6	177.1	-71.9	-27	0	0	0	111.2	K387 E388 L395	K387-D391 PolarHBondContact O-N 3.36Å; E388-D391 PolarHBondContact O-N 3.24Å; D391-L395 WeakPolarHBondContact O-CD1 3.47Å; D391-L395 PolarHBondContact O-N 3.35Å
392	I	47.6	Very low	38.5	Very low	88 Å²	88	133.7 Å²	133.7	45%	0.451	65%	0.648	S	S	.	*	H	α-helix	trans	-70.1	-38.1	171.3	-67.5	167.5	0	0	0	111.2	E388 E390 L395 R396	E388-I392 WeakPolarHBondContact O-CD1 3.27Å; E388-I392 VanDerWaalsContact O-CG1 3.24Å; E388-I392 WeakPolarHBondContact O-CG1 3.23Å; E388-I392 PolarHBondContact O-N 2.83Å; E388-I392 VanDerWaalsContact O-N 3.1Å; E390-I392 VanDerWaalsContact C-N 3.35Å; I392-L395 PolarHBondContact O-N 2.97Å; I392-R396 PolarHBondContact O-N 3.35Å; I392-R396 VanDerWaalsContact O-N 3.17Å
393	Y	40	Very low	37.9	Very low	164 Å²	164	131.5 Å²	131.5	64%	0.643	65%	0.649	S	S	*	*	H	α-helix	trans	-67.5	-37.9	177.2	-144.7	-91.3	0	0	0	112.4	D389 E390 R396 H397	D389-Y393 WeakPolarHBondContact O-CB 3.04Å; D389-Y393 PolarHBondContact O-N 3.24Å; E390-Y393 PolarHBondContact O-N 3.45Å; Y393-R396 PolarHBondContact O-N 3.13Å; Y393-H397 PolarHBondContact O-N 2.92Å
394	K	37.9	Very low	37.5	Very low	137 Å²	137	131.7 Å²	131.7	60%	0.596	65%	0.649	S	S	*	*	H	α-helix	trans	-63.6	-41.5	172.7	-87.7	179.4	176.5	171.3	0	113	E390 R396 H397 D398	E390-K394 PolarHBondContact O-N 3.29Å; K394-R396 VanDerWaalsContact C-N 3.32Å; K394-R396 PolarHBondContact O-N 3.09Å; K394-H397 PolarHBondContact O-N 3.23Å; K394-D398 PolarHBondContact O-N 3.05Å
395	L	38.3	Very low	37	Very low	122 Å²	122	130 Å²	130	64%	0.639	65%	0.652	S	S	*	*	H	α-helix	trans	-63.7	-34.8	176.1	-105.4	115.2	0	0	0	113.1	D391 I392 L399	D391-L395 WeakPolarHBondContact O-CD1 3.47Å; D391-L395 PolarHBondContact O-N 3.35Å; I392-L395 PolarHBondContact O-N 2.97Å; L395-L399 PolarHBondContact O-N 3.48Å
396	R	41.4	Very low	36.3	Very low	173 Å²	173	131.9 Å²	131.9	65%	0.653	65%	0.654	S	S	*	*	H	α-helix	trans	-66.3	-34.6	175.7	-79.3	175.7	154.7	152.2	-2.7	113.4	I392 Y393 K394	I392-R396 PolarHBondContact O-N 3.35Å; I392-R396 VanDerWaalsContact O-N 3.17Å; Y393-R396 PolarHBondContact O-N 3.13Å; K394-R396 VanDerWaalsContact C-N 3.32Å; K394-R396 PolarHBondContact O-N 3.09Å
397	H	37.5	Very low	35.5	Very low	112 Å²	112	135.9 Å²	135.9	52%	0.519	66%	0.663	S	S	.	*	H	α-helix	trans	-78.4	-35.7	-177.1	-171.8	-86.1	0	0	0	112.2	Y393 K394 K400	Y393-H397 PolarHBondContact O-N 2.92Å; K394-H397 PolarHBondContact O-N 3.23Å; H397-K400 PolarHBondContact O-N 3.09Å
398	D	35.3	Very low	35.1	Very low	114 Å²	114	133.8 Å²	133.8	61%	0.61	67%	0.665	S	S	*	*	H	α-helix	trans	-73.9	-27.3	-179.7	-70.7	-17	0	0	0	112.9	K394 K400	K394-D398 PolarHBondContact O-N 3.05Å; D398-K400 VanDerWaalsContact C-N 3.33Å; D398-K400 PolarHBondContact O-N 2.98Å
399	L	33.9	Very low	34	Very low	129 Å²	129	131.6 Å²	131.6	68%	0.675	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-73.5	-18.5	174.2	-116.1	97.8	0	0	0	114.2	L395	L395-L399 PolarHBondContact O-N 3.48Å
400	K	33.7	Very low	33.2	Very low	184 Å²	184	136.6 Å²	136.6	80%	0.8	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-82.1	-9.5	178.5	-90.5	-176.6	174.9	-179.5	0	113.9	H397 D398	H397-K400 PolarHBondContact O-N 3.09Å; D398-K400 VanDerWaalsContact C-N 3.33Å; D398-K400 PolarHBondContact O-N 2.98Å
401	K	34.8	Very low	32.4	Very low	166 Å²	166	139.3 Å²	139.3	72%	0.722	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-94.1	0.6	-176.7	-88.8	-174.1	175.6	-178.9	0	115.4
402	T	30.1	Very low	31.6	Very low	117 Å²	117	146.9 Å²	146.9	72%	0.718	72%	0.717	S	S	*	*	S	Bend	trans	-125.2	52.3	-179	45.3	0	0	0	0	112.4
403	S	25.1	Very low	30.4	Very low	108 Å²	108	147.9 Å²	147.9	76%	0.755	73%	0.727	S	S	*	*			trans	-142.9	99.8	168	-70.5	0	0	0	0	110.7
404	I	26.7	Very low	29.6	Very low	163 Å²	163	147 Å²	147	84%	0.836	73%	0.734	S	S	*	*			trans	-128.2	106.8	159.9	-59.4	173.2	0	0	0	106.3
405	T	25.3	Very low	29	Very low	132 Å²	132	150.1 Å²	150.1	81%	0.81	75%	0.751	S	S	*	*				160.2	136.4	107.2	-41.8	0	0	0	0	110.2
406	Q	25.7	Very low	28.2	Very low	163 Å²	163	152.9 Å²	152.9	76%	0.762	76%	0.76	S	S	*	*			trans	-78.6	154.2	179.8	-70.8	174.1	-17.4	0	0	114.3
407	Q	24	Very low	27.5	Very low	167 Å²	167	152.9 Å²	152.9	78%	0.78	77%	0.772	S	S	*	*			trans	73.4	164.7	137.7	-84.8	-171	15.7	0	0	121.1
408	P	30.2	Very low	26.8	Very low	108 Å²	108	156.1 Å²	156.1	70%	0.701	79%	0.787	S	S	*	*			cis	-138.6	179.7	-25.5	32.3	-11.3	0	0	0	114.9
409	S	23.8	Very low	27.1	Very low	105 Å²	105	155.3 Å²	155.3	73%	0.734	79%	0.788	S	S	*	*			trans	-49.5	156.1	173.6	49.3	0	0	0	0	118.3
410	K	24.5	Very low	26.7	Very low	209 Å²	209	154.5 Å²	154.5	91%	0.909	79%	0.791	S	S	*	*			trans	-141	124.4	150.3	-85.3	-171.2	178.4	175.5	0	112.4
411	H	24	Very low	26.1	Very low	173 Å²	173	151.5 Å²	151.5	80%	0.801	79%	0.788	S	S	*	*			trans	-58.8	154.2	163.3	-84.2	-87.1	0	0	0	112.9
412	R	22.9	Very low	25.6	Very low	251 Å²	251	148.7 Å²	148.7	95%	0.947	79%	0.785	S	S	*	*			trans	-159.5	135.6	131.6	-109.9	173.6	-172.1	-172.7	-0.2	111.9
413	T	22.6	Very low	25.2	Very low	108 Å²	108	149.7 Å²	149.7	66%	0.663	79%	0.791	S	S	*	*			trans	-91.4	154.8	-178.2	35.4	0	0	0	0	112.3
414	D	23.9	Very low	25.2	Very low	147 Å²	147	150.9 Å²	150.9	79%	0.786	79%	0.794	S	S	*	*			trans	51.9	127.1	143.5	-51.7	-24	0	0	0	121.7
415	E	24.7	Very low	25	Very low	202 Å²	202	147.2 Å²	147.2	94%	0.944	79%	0.788	S	S	*	*				-167.1	138.6	116.5	-107.7	177	177.2	0	0	112.6
416	E	22.8	Very low	25	Very low	180 Å²	180	152.6 Å²	152.6	84%	0.841	79%	0.793	S	S	*	*			trans	-70.8	156	178.1	-65.1	168.7	121.4	0	0	113.2
417	L	25.7	Very low	24.9	Very low	172 Å²	172	150.5 Å²	150.5	90%	0.901	80%	0.797	S	S	*	*				-176.1	123.6	122.1	-116	88.3	0	0	0	110.9
418	Q	22.9	Very low	24.9	Very low	180 Å²	180	145.8 Å²	145.8	84%	0.841	79%	0.793	S	S	*	*			trans	-86.4	-167.4	165.1	-65.2	-173.1	-18	0	0	110.9
419	P	41.2	Very low	24.5	Very low	97 Å²	97	147 Å²	147	63%	0.63	80%	0.799	S	S	*	*				-125.6	-167.5	-76.2	38.6	-20.3	0	0	0	110.8
420	P	25.6	Very low	24.5	Very low	113 Å²	113	147.5 Å²	147.5	73%	0.734	80%	0.802	S	S	*	*				-146.7	140	111.3	34.4	-16.9	0	0	0	113.7
421	T	22.2	Very low	24.5	Very low	120 Å²	120	142 Å²	142	74%	0.736	80%	0.796	S	S	*	*				44.7	135.5	77.9	36.2	0	0	0	0	114.7
422	T	22.8	Very low	24.8	Very low	107 Å²	107	140.8 Å²	140.8	66%	0.656	80%	0.8	S	S	*	*			cis	-171.8	149.2	-10.9	-30.3	0	0	0	0	105.9	V424	T422-V424 HydrophobicContact CG2-CG2 4.31Å
423	T	23.5	Very low	25	Very low	139 Å²	139	136.4 Å²	136.4	85%	0.853	79%	0.79	S	S	*	*			trans	178.7	103.6	149.5	39.4	0	0	0	0	107.1
424	V	24.4	Very low	25.4	Very low	132 Å²	132	139.2 Å²	139.2	80%	0.8	80%	0.801	S	S	*	*				58	104.8	67.6	-167.3	0	0	0	0	116	T422	T422-V424 HydrophobicContact CG2-CG2 4.31Å
425	A	22.7	Very low	25.5	Very low	87 Å²	87	140 Å²	140	72%	0.719	80%	0.798	S	S	*	*				160.6	111.1	127.9	0	0	0	0	0	110.1
426	R	24	Very low	25.9	Very low	244 Å²	244	139.9 Å²	139.9	92%	0.921	80%	0.797	S	S	*	*				44.4	131.1	96.3	-81.6	-175.1	177	177.7	-0.3	113.3
427	S	24	Very low	26.2	Very low	120 Å²	120	139.6 Å²	139.6	84%	0.839	80%	0.796	S	S	*	*			cis	180	158.1	22.7	43.5	0	0	0	0	108.6
428	G	23.7	Very low	26.8	Very low	67 Å²	67	139 Å²	139	69%	0.691	79%	0.792	S	S	*	*			trans	151.9	76.5	156.2	0	0	0	0	0	119.1
429	T	23.5	Very low	27.5	Very low	135 Å²	135	132 Å²	132	83%	0.828	77%	0.768	S	S	*	*			trans	45.6	117.5	137.3	50.3	0	0	0	0	123.6
430	S	23.8	Very low	27.4	Very low	115 Å²	115	134.9 Å²	134.9	80%	0.804	78%	0.778	S	S	*	*				66.3	109.8	129.8	67.6	0	0	0	0	121.3
431	A	24.4	Very low	28.5	Very low	94 Å²	94	134 Å²	134	78%	0.777	78%	0.78	S	S	*	*			trans	-146.3	124.8	134.4	0	0	0	0	0	109.1	E433	A431-E433 PolarHBondContact O-N 3.31Å
432	V	29.7	Very low	30.3	Very low	146 Å²	146	129.2 Å²	129.2	89%	0.885	75%	0.75	S	S	*	*			trans	-73.1	115.2	171.6	171.6	0	0	0	0	107.4
433	E	26.1	Very low	31.4	Very low	159 Å²	159	132.6 Å²	132.6	74%	0.743	75%	0.751	S	S	*	*			trans	-136.3	118.9	163.7	-79.4	-170.8	164.3	0	0	109.9	A431 K435	A431-E433 PolarHBondContact O-N 3.31Å; E433-K435 PolarHBondContact O-N 2.88Å
434	N	31.6	Very low	32.8	Very low	167 Å²	167	128.8 Å²	128.8	89%	0.893	72%	0.724	S	S	*	*			trans	-47.6	117.3	164.3	-92.3	-20.4	0	0	0	110.3
435	K	26.3	Very low	33.8	Very low	165 Å²	165	126.3 Å²	126.3	72%	0.717	71%	0.705	S	S	*	*			trans	-129.7	103.2	162.2	-82.1	-176.1	178.4	173.3	0	110.1	E433 Q437	E433-K435 PolarHBondContact O-N 2.88Å; K435-Q437 PolarHBondContact O-N 3.17Å
436	Q	32.3	Very low	35.3	Very low	198 Å²	198	124.6 Å²	124.6	93%	0.925	69%	0.686	S	S	*	*			trans	-58.3	95.5	145.3	-103.8	165.2	-17.8	0	0	107	I438	Q436-I438 PolarHBondContact O-N 3.08Å; Q436-I438 VanDerWaalsContact O-N 3.14Å
437	Q	30.4	Very low	37	Very low	175 Å²	175	121.1 Å²	121.1	82%	0.818	67%	0.673	S	S	*	*			trans	-75.6	94.3	169.9	-92.3	177	-24.2	0	0	108.4	K435 G439	K435-Q437 PolarHBondContact O-N 3.17Å; Q437-G439 PolarHBondContact O-N 3.03Å
438	I	36.7	Very low	38.6	Very low	160 Å²	160	116.2 Å²	116.2	82%	0.821	64%	0.641	S	S	*	*			trans	-73.9	104.8	153	-63.4	173.9	0	0	0	104.8	Q436	Q436-I438 PolarHBondContact O-N 3.08Å; Q436-I438 VanDerWaalsContact O-N 3.14Å
439	G	37.8	Very low	40.3	Very low	32 Å²	32	114.9 Å²	114.9	33%	0.33	62%	0.619	S	S	.	*			trans	-59.4	156.4	175.7	0	0	0	0	0	111.9	Q437 A441	Q437-G439 PolarHBondContact O-N 3.03Å; G439-A441 PolarHBondContact O-N 3.3Å
440	D	40.5	Very low	41.7	Very low	157 Å²	157	109.6 Å²	109.6	84%	0.84	59%	0.586	S	S	*	*			trans	-36	131.8	-176.6	-69.4	-30.4	0	0	0	113.8	I442	D440-I442 PolarHBondContact O-N 3.28Å
441	A	48.1	Very low	42.7	Very low	95 Å²	95	105.3 Å²	105.3	79%	0.785	56%	0.56	S	S	*	*			trans	-57.4	120.9	-178.1	0	0	0	0	0	111.1	G439 R443	G439-A441 PolarHBondContact O-N 3.3Å; A441-R443 PolarHBondContact O-N 3.17Å
442	I	60.2	Low	43.3	Very low	20 Å²	20	106 Å²	106	10%	0.103	56%	0.559	C	S	.	*			trans	-75	126.5	178.2	-63.1	176.5	0	0	0	107.5	D440 M444 Y672 N675 M676	D440-I442 PolarHBondContact O-N 3.28Å; I442-M444 HydrophobicContact CB-SD 4.42Å; I442-M444 HydrophobicContact CG2-SD 3.79Å; I442-M444 PolarHBondContact O-N 3.07Å; I442-Y672 HydrophobicContact CD1-CD2 4.16Å; I442-Y672 HydrophobicContact CD1-CE1 4.4Å; I442-Y672 HydrophobicContact CD1-CE2 3.81Å; I442-Y672 HydrophobicContact CG1-CE2 4.08Å; I442-Y672 WeakPolarHBondContact CG2-OH 3.39Å; I442-N675 HydrophobicContact CD1-CB 3.52Å; I442-M676 HydrophobicContact CD1-CG 3.97Å
443	R	46.6	Very low	43.2	Very low	178 Å²	178	105.3 Å²	105.3	67%	0.672	56%	0.559	S	S	*	*			trans	-75.8	97.9	176.9	-172.3	-179.6	178.1	-172.2	0	110.2	A441 S605	A441-R443 PolarHBondContact O-N 3.17Å; R443-S605 WeakPolarHBondContact O-CA 3.23Å
444	M	53	Low	43.4	Very low	59 Å²	59	102 Å²	102	29%	0.291	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-71.8	134.5	174.4	-55.4	-55.7	-79	0	0	110.6	I442 L603 M676	I442-M444 HydrophobicContact CB-SD 4.42Å; I442-M444 HydrophobicContact CG2-SD 3.79Å; I442-M444 PolarHBondContact O-N 3.07Å; M444-L603 HydrophobicContact CE-CB 3.63Å; M444-L603 HydrophobicContact CE-CD1 3.82Å; M444-L603 HydrophobicContact CE-CD2 4.11Å; M444-L603 HydrophobicContact CE-CG 4.07Å; M444-M676 HydrophobicContact CE-CE 4.37Å
445	I	43.7	Very low	43.4	Very low	80 Å²	80	99.9 Å²	99.9	41%	0.41	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.6	-47.4	-174.4	-54.4	-173.2	0	0	0	111.3	K604 S605 D606	I445-K604 HydrophobicContact CB-CG 4.26Å; I445-K604 PolarHBondContact N-O 3.02Å; I445-S605 VanDerWaalsContact CD1-C 3.47Å; I445-S605 WeakPolarHBondContact CD1-O 3.41Å; I445-D606 HydrophobicContact CD1-CB 4.01Å
446	V	54.2	Low	43.5	Very low	51 Å²	51	95.7 Å²	95.7	31%	0.309	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	145.9	-179.9	-166.9	0	0	0	0	110.3	W602 K604	V446-W602 HydrophobicContact CB-CH2 3.82Å; V446-W602 HydrophobicContact CB-CZ3 3.93Å; V446-W602 HydrophobicContact CG1-CH2 3.38Å; V446-W602 HydrophobicContact CG1-CZ2 4.18Å; V446-W602 HydrophobicContact CG1-CZ3 4.01Å; V446-K604 HydrophobicContact CB-CB 4.37Å; V446-K604 PolarHBondContact N-O 3.21Å; V446-K604 PolarHBondContact O-N 3.43Å
447	R	61.3	Low	43.9	Very low	171 Å²	171	91.7 Å²	91.7	65%	0.645	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.6	172.7	67.6	-178.3	-174.5	-173.6	1.8	111.4	L603	R447-L603 HydrophobicContact CB-CD2 3.41Å; R447-L603 VanDerWaalsContact CB-CD2 3.41Å
448	G	56.6	Low	44.2	Very low	17 Å²	17	92.1 Å²	92.1	18%	0.175	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	138.1	165.7	0	0	0	0	0	110.7	Q601 W602	G448-Q601 WeakPolarHBondContact O-CA 3.32Å; G448-W602 PolarHBondContact N-O 3.27Å; G448-W602 PolarHBondContact O-N 2.98Å
449	T	60.3	Low	43.8	Very low	38 Å²	38	89.4 Å²	89.4	23%	0.233	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.8	-173.2	-54.6	0	0	0	0	109.6	G451 M465 L600	T449-G451 VanDerWaalsContact C-N 3.33Å; T449-G451 PolarHBondContact O-N 3.21Å; T449-M465 HydrophobicContact CG2-CE 3.45Å; T449-M465 VanDerWaalsContact CG2-CE 3.45Å; T449-M465 HydrophobicContact CG2-SD 3.46Å; T449-M465 WeakPolarHBondContact CG2-SD 3.44Å; T449-L600 CarbonylContact C-O 3.54Å
450	L	52.5	Low	43.5	Very low	24 Å²	24	96.3 Å²	96.3	13%	0.126	56%	0.562	C	S	.	*	S	Bend	trans	-69.7	90.9	164.7	-162.8	87.6	0	0	0	107.6	M465 L525 G529 H531 Y598 L600	L450-M465 HydrophobicContact CB-CE 4.33Å; L450-M465 WeakPolarHBondContact O-CE 3.42Å; L450-L525 HydrophobicContact CB-CD1 4.07Å; L450-L525 HydrophobicContact CD1-CD1 3.48Å; L450-L525 VanDerWaalsContact CD1-CD1 3.48Å; L450-L525 HydrophobicContact CG-CD1 4.4Å; L450-G529 WeakPolarHBondContact CD1-O 3.39Å; L450-H531 HydrophobicContact CD1-CB 3.44Å; L450-H531 VanDerWaalsContact CD1-CB 3.44Å; L450-Y598 HydrophobicContact CD2-CD2 4.48Å; L450-Y598 HydrophobicContact CD2-CE2 4.09Å; L450-L600 WeakPolarHBondContact CB-O 3.39Å; L450-L600 HydrophobicContact CD2-CD2 4.03Å; L450-L600 PolarHBondContact N-O 3.35Å
451	G	44.9	Very low	43.4	Very low	25 Å²	25	97.4 Å²	97.4	26%	0.258	56%	0.562	S	S	.	*	S	Bend	trans	92.2	109.9	-177.9	0	0	0	0	0	115.1	T449	T449-G451 VanDerWaalsContact C-N 3.33Å; T449-G451 PolarHBondContact O-N 3.21Å
452	S	37.7	Very low	43.3	Very low	110 Å²	110	97.8 Å²	97.8	77%	0.769	55%	0.551	S	S	*	*			trans	178.9	97.3	138.2	-168.7	0	0	0	0	109.3
453	C	27.1	Very low	43.1	Very low	130 Å²	130	101.1 Å²	101.1	88%	0.878	58%	0.576	S	S	*	*			trans	-134	80.5	159.7	-80.4	0	0	0	0	108.6
454	S	29.3	Very low	43.8	Very low	91 Å²	91	97 Å²	97	64%	0.636	57%	0.571	S	S	*	*			trans	-157.9	124.6	147.5	48.8	0	0	0	0	111.2	S456	S454-S456 PolarHBondContact O-N 2.86Å
455	S	32.9	Very low	44.4	Very low	122 Å²	122	95.3 Å²	95.3	85%	0.853	56%	0.562	S	S	*	*			trans	-61.5	107.3	160.6	52	0	0	0	0	110.1
456	S	28.1	Very low	45.5	Very low	76 Å²	76	92.7 Å²	92.7	53%	0.531	56%	0.555	S	S	.	*			trans	-172.6	131.5	149.5	43.1	0	0	0	0	108.7	S454 E458	S454-S456 PolarHBondContact O-N 2.86Å; S456-E458 PolarHBondContact O-N 3.03Å
457	S	39.9	Very low	46.5	Very low	115 Å²	115	93.3 Å²	93.3	80%	0.804	56%	0.561	S	S	*	*	S	Bend	trans	-47	137.7	160.9	-170.5	0	0	0	0	109.3
458	E	37	Very low	47.5	Very low	183 Å²	183	86.3 Å²	86.3	86%	0.855	54%	0.538	S	S	*	.			trans	68.5	79.2	178.9	-55.1	-175.4	170.9	0	0	115.6	S456	S456-E458 PolarHBondContact O-N 3.03Å
459	C	28	Very low	48.8	Very low	103 Å²	103	85.5 Å²	85.5	70%	0.696	53%	0.529	S	S	*	.			trans	-134.9	122.4	152.5	-78.3	0	0	0	0	107.9	E461	C459-E461 PolarHBondContact O-N 3.42Å
460	L	31.5	Very low	50	Low	177 Å²	177	87.1 Å²	87.1	93%	0.927	54%	0.537	S	S	*	.			trans	-44.3	132.8	-177.4	-68.2	151	0	0	0	111.3	D462	L460-D462 PolarHBondContact O-N 2.93Å
461	E	39	Very low	51.6	Low	180 Å²	180	87.6 Å²	87.6	84%	0.841	54%	0.541	S	S	*	.			trans	-36.2	131.9	172.8	-64	170.7	162.8	0	0	111.1	C459 S463	C459-E461 PolarHBondContact O-N 3.42Å; E461-S463 PolarHBondContact O-N 3.06Å
462	D	45.3	Very low	53.7	Low	104 Å²	104	86.5 Å²	86.5	56%	0.556	53%	0.529	S	S	*	.			trans	-64.2	89.1	170.2	-151.1	3.4	0	0	0	107.5	L460 T464 M465 G466	L460-D462 PolarHBondContact O-N 2.93Å; D462-T464 PolarHBondContact O-N 3.08Å; D462-M465 PolarHBondContact O-N 2.85Å; D462-M465 VanDerWaalsContact O-N 3.1Å; D462-G466 PolarHBondContact O-N 2.77Å
463	S	55.6	Low	56.2	Low	89 Å²	89	81.5 Å²	81.5	62%	0.622	49%	0.494	S	S	*	.	H	α-helix	trans	-56.2	-22.7	-157.7	57	0	0	0	0	114.7	E461 S467	E461-S463 PolarHBondContact O-N 3.06Å; S463-S467 WeakPolarHBondContact O-CB 3.21Å
464	T	62.3	Low	59.1	Low	93 Å²	93	82.3 Å²	82.3	57%	0.571	48%	0.479	S	S	*	.	H	α-helix	trans	-83.7	-47.2	179.2	-49.8	0	0	0	0	112.3	D462 S467 V468	D462-T464 PolarHBondContact O-N 3.08Å; T464-S467 PolarHBondContact O-N 2.88Å; T464-V468 WeakPolarHBondContact O-CB 3.45Å; T464-V468 VanDerWaalsContact O-CG2 3.23Å; T464-V468 WeakPolarHBondContact O-CG2 3.37Å; T464-V468 PolarHBondContact O-N 3.16Å
465	M	66	Low	62	Low	22 Å²	22	79.7 Å²	79.7	11%	0.108	46%	0.459	C	S	.	.	H	α-helix	trans	-71.2	-43.6	-175.7	-174.3	-173.6	-50.7	0	0	112	T449 L450 D462 S467 V468 A469 L600 Q601	T449-M465 HydrophobicContact CG2-CE 3.45Å; T449-M465 VanDerWaalsContact CG2-CE 3.45Å; T449-M465 HydrophobicContact CG2-SD 3.46Å; T449-M465 WeakPolarHBondContact CG2-SD 3.44Å; L450-M465 HydrophobicContact CB-CE 4.33Å; L450-M465 WeakPolarHBondContact O-CE 3.42Å; D462-M465 PolarHBondContact O-N 2.85Å; D462-M465 VanDerWaalsContact O-N 3.1Å; M465-S467 VanDerWaalsContact C-N 3.34Å; M465-V468 PolarHBondContact O-N 3.4Å; M465-A469 WeakPolarHBondContact O-CB 3.39Å; M465-A469 PolarHBondContact O-N 3.14Å; M465-L600 HydrophobicContact CE-CB 4.26Å; M465-L600 HydrophobicContact CG-CB 4.42Å; M465-L600 HydrophobicContact CG-CD1 4.3Å; M465-Q601 HydrophobicContact SD-CB 4.42Å
466	G	66.3	Low	64.8	Low	25 Å²	25	74 Å²	74	26%	0.258	42%	0.419	S	S	.	.	H	α-helix	trans	-57.2	-49.3	173.7	0	0	0	0	0	111	D462 V468 A469 D470	D462-G466 PolarHBondContact O-N 2.77Å; G466-V468 PolarHBondContact O-N 3.33Å; G466-A469 PolarHBondContact O-N 3.3Å; G466-D470 VanDerWaalsContact O-CB 3.32Å; G466-D470 WeakPolarHBondContact O-CB 3.47Å; G466-D470 VanDerWaalsContact O-CG 3.27Å; G466-D470 PolarHBondContact O-N 3.3Å; G466-D470 VanDerWaalsContact O-OD2 3.1Å
467	S	75.1	Confident	67.9	Low	64 Å²	64	74.6 Å²	74.6	45%	0.448	41%	0.41	S	S	.	.	H	α-helix	trans	-60.3	-42.5	178.5	179.6	0	0	0	0	113.6	S463 T464 M465 T471	S463-S467 WeakPolarHBondContact O-CB 3.21Å; T464-S467 PolarHBondContact O-N 2.88Å; M465-S467 VanDerWaalsContact C-N 3.34Å; S467-T471 WeakPolarHBondContact O-CB 3.35Å; S467-T471 PolarHBondContact O-N 3.31Å; S467-T471 PolarHBondContact O-OG1 3.09Å
468	V	82	Confident	70.2	Confident	24 Å²	24	70.5 Å²	70.5	15%	0.145	39%	0.385	C	S	.	.	H	α-helix	trans	-64.1	-50.9	177.7	169.8	0	0	0	0	110.8	T464 M465 G466 D470 T471 V472 L612 G616	T464-V468 WeakPolarHBondContact O-CB 3.45Å; T464-V468 VanDerWaalsContact O-CG2 3.23Å; T464-V468 WeakPolarHBondContact O-CG2 3.37Å; T464-V468 PolarHBondContact O-N 3.16Å; M465-V468 PolarHBondContact O-N 3.4Å; G466-V468 PolarHBondContact O-N 3.33Å; V468-D470 VanDerWaalsContact C-N 3.35Å; V468-D470 PolarHBondContact O-N 2.97Å; V468-T471 PolarHBondContact O-N 3.26Å; V468-V472 WeakPolarHBondContact O-CG2 3.33Å; V468-V472 PolarHBondContact O-N 2.93Å; V468-V472 VanDerWaalsContact O-N 3.07Å; V468-L612 HydrophobicContact CG1-CD1 4.18Å; V468-L612 HydrophobicContact CG1-CD2 4.5Å; V468-L612 HydrophobicContact CG1-CG 4.49Å; V468-G616 VanDerWaalsContact CG1-CA 3.48Å
469	A	84.6	Confident	72.8	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-63.4	-39.9	180	0	0	0	0	0	112.3	M465 G466 T471 V472 A473 L612 L677 R680	M465-A469 WeakPolarHBondContact O-CB 3.39Å; M465-A469 PolarHBondContact O-N 3.14Å; G466-A469 PolarHBondContact O-N 3.3Å; A469-T471 VanDerWaalsContact C-N 3.33Å; A469-V472 PolarHBondContact O-N 2.84Å; A469-A473 VanDerWaalsContact O-CB 3.29Å; A469-A473 WeakPolarHBondContact O-CB 3.41Å; A469-A473 PolarHBondContact O-N 3Å; A469-L612 HydrophobicContact CB-CD2 3.68Å; A469-L677 HydrophobicContact CB-CD2 4.48Å; A469-R680 VanDerWaalsContact CB-NE 3.35Å
470	D	84.6	Confident	75.8	Confident	72 Å²	72	58.1 Å²	58.1	39%	0.385	32%	0.318	S	S	.	.	H	α-helix	trans	-65.5	-36.1	175.3	-76.4	-33.1	0	0	0	112.8	G466 V468 R474 R680	G466-D470 VanDerWaalsContact O-CB 3.32Å; G466-D470 WeakPolarHBondContact O-CB 3.47Å; G466-D470 VanDerWaalsContact O-CG 3.27Å; G466-D470 PolarHBondContact O-N 3.3Å; G466-D470 VanDerWaalsContact O-OD2 3.1Å; V468-D470 VanDerWaalsContact C-N 3.35Å; V468-D470 PolarHBondContact O-N 2.97Å; D470-R474 VanDerWaalsContact O-CB 3.3Å; D470-R474 WeakPolarHBondContact O-CB 3.45Å; D470-R474 WeakPolarHBondContact O-CG 3.43Å; D470-R474 PolarHBondContact O-N 2.8Å; D470-R474 PolarHBondContact O-NE 2.85Å; D470-R680 IonicContact OD1-CZ 3.26Å; D470-R680 IonicContact OD1-NH1 3.06Å; D470-R680 IonicContact OD1-NH2 2.68Å; D470-R680 PolarHBondContact OD1-NH2 3.18Å; D470-R680 IonicContact OD2-NH2 3Å; D470-R680 PolarHBondContact OD2-NH2 3.06Å
471	T	87.1	Confident	78.7	Confident	35 Å²	35	55.8 Å²	55.8	22%	0.215	30%	0.303	C	S	.	.	H	α-helix	trans	-65.6	-48.5	176.4	-59.4	0	0	0	0	110.7	S467 V468 A469 A473 R474 V475 Y638	S467-T471 WeakPolarHBondContact O-CB 3.35Å; S467-T471 PolarHBondContact O-N 3.31Å; S467-T471 PolarHBondContact O-OG1 3.09Å; V468-T471 PolarHBondContact O-N 3.26Å; A469-T471 VanDerWaalsContact C-N 3.33Å; T471-A473 VanDerWaalsContact C-N 3.35Å; T471-A473 PolarHBondContact O-N 2.78Å; T471-R474 PolarHBondContact O-N 2.85Å; T471-R474 PolarHBondContact OG1-NH2 2.89Å; T471-V475 VanDerWaalsContact O-CG2 3.29Å; T471-V475 WeakPolarHBondContact O-CG2 3.27Å; T471-V475 PolarHBondContact O-N 2.93Å; T471-Y638 VanDerWaalsContact CG2-OH 3.28Å; T471-Y638 WeakPolarHBondContact CG2-OH 3.17Å
472	V	88.8	Confident	81	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-61.6	-43.6	176.7	180	0	0	0	0	111	V468 A469 V475 L476 G616 F618 L677	V468-V472 WeakPolarHBondContact O-CG2 3.33Å; V468-V472 PolarHBondContact O-N 2.93Å; V468-V472 VanDerWaalsContact O-N 3.07Å; A469-V472 PolarHBondContact O-N 2.84Å; V472-V475 PolarHBondContact O-N 2.96Å; V472-L476 WeakPolarHBondContact O-CB 3.35Å; V472-L476 PolarHBondContact O-N 3.49Å; V472-G616 WeakPolarHBondContact CG2-O 3.47Å; V472-F618 HydrophobicContact CG1-CB 3.85Å; V472-F618 HydrophobicContact CG1-CD1 4.04Å; V472-F618 HydrophobicContact CG1-CG 3.95Å; V472-L677 HydrophobicContact CB-CD1 4.45Å; V472-L677 HydrophobicContact CG1-CD1 3.8Å
473	A	89.6	Confident	83.2	Confident	4 Å²	4	48.4 Å²	48.4	3%	0.033	27%	0.269	C	S	.	.	H	α-helix	trans	-63.2	-42.8	178.1	0	0	0	0	0	112.4	A469 T471 R477 L674 L677 L678	A469-A473 VanDerWaalsContact O-CB 3.29Å; A469-A473 WeakPolarHBondContact O-CB 3.41Å; A469-A473 PolarHBondContact O-N 3Å; T471-A473 VanDerWaalsContact C-N 3.35Å; T471-A473 PolarHBondContact O-N 2.78Å; A473-R477 WeakPolarHBondContact O-CB 3.5Å; A473-R477 PolarHBondContact O-N 3.07Å; A473-L674 HydrophobicContact CB-CD1 4.13Å; A473-L674 WeakPolarHBondContact O-CD1 3.32Å; A473-L677 HydrophobicContact CB-CB 4.33Å; A473-L678 HydrophobicContact CB-CD2 4.27Å
474	R	88.6	Confident	84.7	Confident	147 Å²	147	46.8 Å²	46.8	56%	0.555	26%	0.256	S	S	*	.	H	α-helix	trans	-60.8	-45.3	175.7	-84.2	-176.9	-80.3	111.4	-2	111.8	D470 T471 G478	D470-R474 VanDerWaalsContact O-CB 3.3Å; D470-R474 WeakPolarHBondContact O-CB 3.45Å; D470-R474 WeakPolarHBondContact O-CG 3.43Å; D470-R474 PolarHBondContact O-N 2.8Å; D470-R474 PolarHBondContact O-NE 2.85Å; T471-R474 PolarHBondContact O-N 2.85Å; T471-R474 PolarHBondContact OG1-NH2 2.89Å; R474-G478 PolarHBondContact O-N 3.34Å
475	V	89.8	Confident	85.8	Confident	37 Å²	37	51 Å²	51	22%	0.224	27%	0.27	C	S	.	.	H	α-helix	trans	-64.8	-48	179.8	168	0	0	0	0	111.2	T471 V472 G478 C479 Y638 L654	T471-V475 VanDerWaalsContact O-CG2 3.29Å; T471-V475 WeakPolarHBondContact O-CG2 3.27Å; T471-V475 PolarHBondContact O-N 2.93Å; V472-V475 PolarHBondContact O-N 2.96Å; V475-G478 PolarHBondContact O-N 3.24Å; V475-C479 WeakPolarHBondContact O-CB 3.48Å; V475-C479 PolarHBondContact O-N 3.06Å; V475-Y638 HydrophobicContact CG1-CD1 4.03Å; V475-Y638 HydrophobicContact CG1-CD2 3.8Å; V475-Y638 HydrophobicContact CG1-CE1 4.44Å; V475-Y638 HydrophobicContact CG1-CE2 4.25Å; V475-Y638 HydrophobicContact CG1-CG 3.69Å; V475-Y638 HydrophobicContact CG2-CD2 3.98Å; V475-Y638 HydrophobicContact CG2-CE1 4.35Å; V475-Y638 HydrophobicContact CG2-CE2 3.6Å; V475-L654 HydrophobicContact CG1-CD2 3.38Å
476	L	91.7	Very high	86.6	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-66.1	-42.3	-179.7	-176.2	57.5	0	0	0	112	V472 C479 L480 I631 M670 A673 L674 L677	V472-L476 WeakPolarHBondContact O-CB 3.35Å; V472-L476 PolarHBondContact O-N 3.49Å; L476-C479 PolarHBondContact O-N 2.61Å; L476-L480 HydrophobicContact CD1-CD1 4.34Å; L476-L480 HydrophobicContact CG-CD1 4.15Å; L476-L480 WeakPolarHBondContact O-CG 3.48Å; L476-L480 PolarHBondContact O-N 2.78Å; L476-I631 HydrophobicContact CB-CD1 4.4Å; L476-I631 HydrophobicContact CD1-CD1 3.78Å; L476-I631 HydrophobicContact CD2-CD1 3.93Å; L476-I631 HydrophobicContact CG-CD1 4.26Å; L476-M670 HydrophobicContact CD1-CB 4.12Å; L476-M670 HydrophobicContact CD1-CE 3.54Å; L476-M670 HydrophobicContact CD1-CG 4.29Å; L476-A673 HydrophobicContact CD2-CB 4.35Å; L476-L674 HydrophobicContact CB-CD1 4.48Å; L476-L674 HydrophobicContact CD2-CB 3.79Å; L476-L674 HydrophobicContact CG-CB 4.19Å; L476-L677 HydrophobicContact CD2-CD1 4.44Å
477	R	93.1	Very high	87	Confident	90 Å²	90	57.5 Å²	57.5	34%	0.34	30%	0.302	S	S	.	.	H	α-helix	trans	-58.9	-52.3	173.3	179.2	-169.3	-58.7	-76.5	3.3	111.3	A473 C479 L480 E481 L674	A473-R477 WeakPolarHBondContact O-CB 3.5Å; A473-R477 PolarHBondContact O-N 3.07Å; R477-C479 PolarHBondContact O-N 3.16Å; R477-L480 PolarHBondContact O-N 2.85Å; R477-L480 VanDerWaalsContact O-N 3.13Å; R477-E481 VanDerWaalsContact CD-OE1 3.27Å; R477-E481 WeakPolarHBondContact CD-OE1 3.46Å; R477-E481 HydrophobicContact CG-CG 4.12Å; R477-E481 WeakPolarHBondContact CG-OE1 3.49Å; R477-E481 IonicContact NH1-OE1 3.73Å; R477-E481 WeakPolarHBondContact O-CB 3.5Å; R477-E481 WeakPolarHBondContact O-CG 3.49Å; R477-E481 PolarHBondContact O-N 2.78Å; R477-L674 HydrophobicContact CB-CD1 4.2Å; R477-L674 HydrophobicContact CB-CD2 3.91Å; R477-L674 HydrophobicContact CG-CD2 4.37Å
478	G	88.6	Confident	86.8	Confident	28 Å²	28	58.6 Å²	58.6	29%	0.289	31%	0.309	S	S	.	.	H	α-helix	trans	-59	-36.7	-179.7	0	0	0	0	0	112.1	R474 V475 N482	R474-G478 PolarHBondContact O-N 3.34Å; V475-G478 PolarHBondContact O-N 3.24Å; G478-N482 WeakPolarHBondContact O-CB 3.37Å; G478-N482 PolarHBondContact O-N 3.48Å; G478-N482 PolarHBondContact O-ND2 3.25Å
479	C	91.1	Very high	86.2	Confident	8 Å²	8	60.9 Å²	60.9	5%	0.054	32%	0.319	C	S	.	.	H	α-helix	trans	-64.3	-52.8	172.7	-168.4	0	0	0	0	111.6	V475 L476 R477 E481 N482 M483 L654	V475-C479 WeakPolarHBondContact O-CB 3.48Å; V475-C479 PolarHBondContact O-N 3.06Å; L476-C479 PolarHBondContact O-N 2.61Å; R477-C479 PolarHBondContact O-N 3.16Å; C479-E481 PolarHBondContact O-N 3.49Å; C479-N482 PolarHBondContact O-N 2.81Å; C479-M483 WeakPolarHBondContact O-CB 3.19Å; C479-M483 PolarHBondContact O-N 3.27Å; C479-M483 WeakPolarHBondContact SG-CE 3.47Å; C479-L654 HydrophobicContact CB-CD2 4.24Å
480	L	92.3	Very high	85.6	Confident	18 Å²	18	61.6 Å²	61.6	9%	0.094	32%	0.324	C	S	.	.	H	α-helix	trans	-62.1	-39.8	-178.1	-78.5	166.9	0	0	0	114	L476 R477 N482 K667 M670 E671 L674	L476-L480 HydrophobicContact CD1-CD1 4.34Å; L476-L480 HydrophobicContact CG-CD1 4.15Å; L476-L480 WeakPolarHBondContact O-CG 3.48Å; L476-L480 PolarHBondContact O-N 2.78Å; R477-L480 PolarHBondContact O-N 2.85Å; R477-L480 VanDerWaalsContact O-N 3.13Å; L480-N482 VanDerWaalsContact C-N 3.34Å; L480-K667 HydrophobicContact CD2-CG 4.03Å; L480-M670 HydrophobicContact CD1-CB 4.18Å; L480-M670 HydrophobicContact CD2-CB 3.83Å; L480-M670 HydrophobicContact CD2-CE 4.18Å; L480-M670 HydrophobicContact CG-CB 4.3Å; L480-M670 HydrophobicContact CG-CE 4.25Å; L480-E671 HydrophobicContact CD1-CG 4.03Å; L480-E671 HydrophobicContact CD2-CG 3.91Å; L480-L674 HydrophobicContact CD1-CB 4.22Å; L480-L674 HydrophobicContact CD1-CD2 3.87Å
481	E	91.7	Very high	84.5	Confident	129 Å²	129	68.2 Å²	68.2	60%	0.603	35%	0.349	S	S	*	.	H	α-helix	trans	-72.3	-27.7	-177	-73.6	173.9	179.1	0	0	112.9	R477 C479	R477-E481 VanDerWaalsContact CD-OE1 3.27Å; R477-E481 WeakPolarHBondContact CD-OE1 3.46Å; R477-E481 HydrophobicContact CG-CG 4.12Å; R477-E481 WeakPolarHBondContact CG-OE1 3.49Å; R477-E481 IonicContact NH1-OE1 3.73Å; R477-E481 WeakPolarHBondContact O-CB 3.5Å; R477-E481 WeakPolarHBondContact O-CG 3.49Å; R477-E481 PolarHBondContact O-N 2.78Å; C479-E481 PolarHBondContact O-N 3.49Å
482	N	88.1	Confident	83.6	Confident	113 Å²	113	69.9 Å²	69.9	60%	0.604	36%	0.355	S	S	*	.	H	α-helix	trans	-112.5	-0.9	-172.8	-63.4	-75.8	0	0	0	113.4	G478 C479 L480 L658	G478-N482 WeakPolarHBondContact O-CB 3.37Å; G478-N482 PolarHBondContact O-N 3.48Å; G478-N482 PolarHBondContact O-ND2 3.25Å; C479-N482 PolarHBondContact O-N 2.81Å; L480-N482 VanDerWaalsContact C-N 3.34Å; N482-L658 HydrophobicContact CB-CD1 3.48Å; N482-L658 VanDerWaalsContact CB-CD1 3.48Å
483	M	90.8	Very high	82.4	Confident	15 Å²	15	76.6 Å²	76.6	7%	0.074	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-76.5	133.2	179.2	174.7	179.3	-45.7	0	0	111.4	C479 L657 C662 M670	C479-M483 WeakPolarHBondContact O-CB 3.19Å; C479-M483 PolarHBondContact O-N 3.27Å; C479-M483 WeakPolarHBondContact SG-CE 3.47Å; M483-L657 HydrophobicContact CE-CB 3.59Å; M483-L657 WeakPolarHBondContact CG-O 3.1Å; M483-C662 HydrophobicContact SD-CB 4.18Å; M483-C662 PolarHBondContact SD-SG 2.99Å; M483-M670 HydrophobicContact CE-CE 4.02Å
484	P	87.1	Confident	81.6	Confident	56 Å²	56	78.3 Å²	78.3	36%	0.364	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-71	156.5	176.3	30.3	-34.8	0	0	0	111.7	A486 L658 G661	P484-A486 PolarHBondContact O-N 2.83Å; P484-L658 WeakPolarHBondContact CD-O 3.38Å; P484-G661 VanDerWaalsContact O-CA 3.25Å; P484-G661 WeakPolarHBondContact O-CA 3.41Å
485	E	84.3	Confident	80.6	Confident	182 Å²	182	78 Å²	78	85%	0.85	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-68.3	129.4	171.7	-66	-174	165.8	0	0	110.4
486	A	83.4	Confident	79.6	Confident	23 Å²	23	77.2 Å²	77.2	19%	0.19	40%	0.404	C	S	.	.			trans	-146.7	149.3	175	0	0	0	0	0	110	P484 S660 C662	P484-A486 PolarHBondContact O-N 2.83Å; A486-S660 WeakPolarHBondContact CB-O 3.38Å; A486-C662 CarbonylContact O-C 3.55Å
487	D	74.6	Confident	78.7	Confident	159 Å²	159	78.3 Å²	78.3	85%	0.85	41%	0.412	S	S	*	.	S	Bend	trans	-101.5	-0.4	179.2	-67	-39.9	0	0	0	112.9
488	C	71.9	Confident	78.2	Confident	88 Å²	88	74.6 Å²	74.6	60%	0.595	40%	0.398	S	S	*	.	S	Bend	trans	-125.6	149.1	-176.3	61.4	0	0	0	0	112.5
489	I	68.3	Low	78.2	Confident	72 Å²	72	75.1 Å²	75.1	37%	0.369	39%	0.393	S	S	.	.			trans	-69.9	134.6	170.2	-63.8	177.3	0	0	0	108.7	F652	I489-F652 HydrophobicContact CG2-CD1 4.47Å; I489-F652 HydrophobicContact CG2-CE1 3.24Å; I489-F652 HydrophobicContact CG2-CE2 4.37Å; I489-F652 HydrophobicContact CG2-CZ 3.18Å
490	P	72.4	Confident	78.2	Confident	14 Å²	14	74.9 Å²	74.9	9%	0.091	39%	0.391	C	S	.	.			trans	-54.7	143.5	176.6	-25.8	34	0	0	0	112.7	E492 F652 T656 L657 G661	P490-E492 PolarHBondContact O-N 3.09Å; P490-F652 HydrophobicContact CB-CD1 4.36Å; P490-F652 HydrophobicContact CG-CD1 4.39Å; P490-T656 HydrophobicContact CB-CG2 4.02Å; P490-L657 HydrophobicContact CG-CD2 3.85Å; P490-G661 WeakPolarHBondContact CG-O 3.49Å
491	K	61.4	Low	78.2	Confident	212 Å²	212	74 Å²	74	92%	0.922	39%	0.386	S	S	*	.	S	Bend	trans	-71.4	-14.3	-179.6	-67.8	-176.7	179.7	178.4	0	114	Q493	K491-Q493 PolarHBondContact O-N 3.41Å
492	E	67.5	Low	78.2	Confident	70 Å²	70	68.2 Å²	68.2	33%	0.327	36%	0.36	S	S	.	.			trans	-74.2	105	176.7	-168.5	-175.6	177.6	0	0	109.2	P490 L494 R653 T656	P490-E492 PolarHBondContact O-N 3.09Å; E492-L494 HydrophobicContact CG-CG 4.37Å; E492-R653 WeakPolarHBondContact OE1-CD 3.41Å; E492-R653 IonicContact OE1-NE 2.75Å; E492-R653 PolarHBondContact OE1-NE 2.86Å; E492-R653 VanDerWaalsContact OE1-NE 3.14Å; E492-T656 HydrophobicContact CB-CG2 4.24Å; E492-T656 WeakPolarHBondContact OE2-CB 3.47Å; E492-T656 VanDerWaalsContact OE2-CG2 3.27Å; E492-T656 WeakPolarHBondContact OE2-CG2 3.23Å; E492-T656 PolarHBondContact OE2-OG1 2.86Å
493	Q	64.4	Low	78.4	Confident	142 Å²	142	63.5 Å²	63.5	66%	0.664	33%	0.334	S	S	*	.			trans	-105.7	113.7	171.8	-65.5	-173.7	-34.1	0	0	108.5	K491 T650	K491-Q493 PolarHBondContact O-N 3.41Å; Q493-T650 HydrophobicContact CG-CG2 3.9Å
494	L	73.1	Confident	78.5	Confident	41 Å²	41	66.9 Å²	66.9	22%	0.215	35%	0.346	C	S	.	.			trans	-92.4	128.1	177.5	-68.5	160	0	0	0	110	E492 T496 L639 T651 R653	E492-L494 HydrophobicContact CG-CG 4.37Å; L494-T496 HydrophobicContact CB-CG2 3.79Å; L494-T496 PolarHBondContact O-N 2.86Å; L494-L639 HydrophobicContact CD1-CD2 4.29Å; L494-T651 PolarHBondContact N-O 3.19Å; L494-R653 HydrophobicContact CD1-CG 3.62Å
495	T	66.3	Low	78.4	Confident	140 Å²	140	64.8 Å²	64.8	86%	0.859	33%	0.332	S	S	*	.			trans	-82.3	98.3	165.4	-44.7	0	0	0	0	107.9
496	T	69	Low	78.4	Confident	21 Å²	21	58.7 Å²	58.7	13%	0.129	31%	0.305	C	S	.	.			trans	-118	156.4	176	71.3	0	0	0	0	110.9	L494 L639 T651	L494-T496 HydrophobicContact CB-CG2 3.79Å; L494-T496 PolarHBondContact O-N 2.86Å; T496-L639 HydrophobicContact CG2-CD1 3.84Å; T496-T651 HydrophobicContact CG2-CG2 4.37Å
497	S	72.4	Confident	78.2	Confident	23 Å²	23	58.7 Å²	58.7	16%	0.161	30%	0.301	C	S	.	.			trans	-129.6	119.3	176.8	-177.4	0	0	0	0	110.5	P587 V589 R594	S497-P587 PolarHBondContact OG-O 2.84Å; S497-V589 WeakPolarHBondContact OG-CB 3.42Å; S497-V589 WeakPolarHBondContact OG-CG2 3.49Å; S497-V589 PolarHBondContact OG-N 2.89Å; S497-V589 VanDerWaalsContact OG-N 3.12Å; S497-R594 PolarHBondContact O-NH1 3Å
498	F	84.1	Confident	78.3	Confident	13 Å²	13	52.3 Å²	52.3	6%	0.057	27%	0.268	C	S	.	.			trans	-145	164.4	178.3	62.1	-88.3	0	0	0	109.8	W500 L586 I630 C632 T641	F498-W500 HydrophobicContact CD2-CB 4.26Å; F498-W500 HydrophobicContact CE2-CB 3.85Å; F498-W500 HydrophobicContact CE2-CG 4.37Å; F498-L586 HydrophobicContact CD1-CD2 4.19Å; F498-L586 HydrophobicContact CE1-CD2 3.52Å; F498-L586 HydrophobicContact CE2-CD2 4.34Å; F498-L586 HydrophobicContact CZ-CD2 3.6Å; F498-I630 HydrophobicContact CE2-CB 4.28Å; F498-I630 HydrophobicContact CE2-CD1 4.33Å; F498-I630 HydrophobicContact CE2-CG2 3.62Å; F498-I630 HydrophobicContact CZ-CB 4.4Å; F498-I630 HydrophobicContact CZ-CD1 4.38Å; F498-I630 HydrophobicContact CZ-CG2 4.19Å; F498-C632 HydrophobicContact CD2-CB 4.41Å; F498-T641 WeakPolarHBondContact CE1-OG1 3.22Å; F498-T641 HydrophobicContact CZ-CG2 4.36Å; F498-T641 WeakPolarHBondContact CZ-OG1 3.41Å
499	Q	88	Confident	77.6	Confident	39 Å²	39	53.1 Å²	53.1	18%	0.182	27%	0.267	C	S	.	.			trans	-81.6	132.1	177.7	-74.3	172.8	-41.8	0	0	110.2	S518 D519 L597	Q499-S518 WeakPolarHBondContact CA-OG 3.4Å; Q499-D519 PolarHBondContact NE2-OD2 2.6Å; Q499-L597 HydrophobicContact CB-CD2 4.05Å
500	W	90.7	Very high	77.5	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.008	28%	0.276	C	S	.	.			trans	-146.1	164.4	178	65.7	-78.1	0	0	0	111.1	F498 T502 L517 S518 L586 K628 I630 I643	F498-W500 HydrophobicContact CD2-CB 4.26Å; F498-W500 HydrophobicContact CE2-CB 3.85Å; F498-W500 HydrophobicContact CE2-CG 4.37Å; W500-T502 HydrophobicContact CD2-CG2 4.2Å; W500-T502 HydrophobicContact CE3-CG2 4.35Å; W500-T502 HydrophobicContact CH2-CG2 3.83Å; W500-T502 HydrophobicContact CZ2-CG2 3.67Å; W500-T502 HydrophobicContact CZ3-CG2 4.17Å; W500-T502 PolarHBondContact O-N 3.37Å; W500-L517 CarbonylContact O-C 3.38Å; W500-L517 VanDerWaalsContact O-CA 3.24Å; W500-L517 WeakPolarHBondContact O-CA 3.33Å; W500-S518 PolarHBondContact N-OG 2.93Å; W500-S518 PolarHBondContact O-N 3.01Å; W500-L586 HydrophobicContact CZ2-CB 4.21Å; W500-K628 HydrophobicContact CZ3-CD 4.46Å; W500-I630 HydrophobicContact CB-CD1 3.9Å; W500-I630 HydrophobicContact CD2-CD1 3.99Å; W500-I630 HydrophobicContact CE3-CD1 3.78Å; W500-I630 HydrophobicContact CG-CD1 4.06Å; W500-I643 HydrophobicContact CE3-CD1 4.27Å; W500-I643 HydrophobicContact CH2-CD1 3.86Å; W500-I643 HydrophobicContact CZ2-CD1 4.45Å; W500-I643 HydrophobicContact CZ3-CD1 3.75Å
501	V	93.1	Very high	77.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	113.2	-177.8	179.3	0	0	0	0	110.8	K503 W504 Y515 Q516 L517 M611 F613 Q619	V501-K503 VanDerWaalsContact CG1-O 3.26Å; V501-K503 WeakPolarHBondContact CG1-O 3.36Å; V501-W504 HydrophobicContact CG1-CB 4.2Å; V501-Y515 HydrophobicContact CG2-CD2 4.22Å; V501-Q516 WeakPolarHBondContact CA-O 3.27Å; V501-L517 HydrophobicContact CG2-CD2 3.98Å; V501-M611 HydrophobicContact CB-CE 3.99Å; V501-M611 HydrophobicContact CB-SD 4.22Å; V501-M611 HydrophobicContact CG1-CE 4.14Å; V501-M611 HydrophobicContact CG1-SD 4.07Å; V501-M611 HydrophobicContact CG2-CE 4.2Å; V501-M611 HydrophobicContact CG2-SD 3.95Å; V501-F613 HydrophobicContact CG2-CE1 4.38Å; V501-F613 HydrophobicContact CG2-CE2 3.82Å; V501-F613 HydrophobicContact CG2-CZ 3.33Å; V501-Q619 PolarHBondContact O-NE2 3.01Å
502	T	91.3	Very high	78.9	Confident	7 Å²	7	47.7 Å²	47.7	4%	0.043	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-34.4	177.2	57.2	0	0	0	0	112.6	W500 Q516 G583	W500-T502 HydrophobicContact CD2-CG2 4.2Å; W500-T502 HydrophobicContact CE3-CG2 4.35Å; W500-T502 HydrophobicContact CH2-CG2 3.83Å; W500-T502 HydrophobicContact CZ2-CG2 3.67Å; W500-T502 HydrophobicContact CZ3-CG2 4.17Å; W500-T502 PolarHBondContact O-N 3.37Å; T502-Q516 PolarHBondContact N-O 3.22Å; T502-Q516 PolarHBondContact OG1-O 2.92Å; T502-G583 PolarHBondContact O-N 2.83Å
503	K	92.3	Very high	80.1	Confident	15 Å²	15	44.4 Å²	44.4	7%	0.065	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	148.8	-176.9	-49.7	177.4	-177.2	-168.1	0	110.4	V501 Y515 Q516 M576 L580 D582	V501-K503 VanDerWaalsContact CG1-O 3.26Å; V501-K503 WeakPolarHBondContact CG1-O 3.36Å; K503-Y515 CarbonylContact O-C 3.53Å; K503-Y515 WeakPolarHBondContact O-CA 3.3Å; K503-Q516 HydrophobicContact CB-CB 4Å; K503-Q516 PolarHBondContact N-O 3.05Å; K503-Q516 PolarHBondContact O-N 2.93Å; K503-M576 HydrophobicContact CB-CB 4.37Å; K503-M576 HydrophobicContact CB-CG 4.45Å; K503-M576 HydrophobicContact CB-SD 4.09Å; K503-M576 HydrophobicContact CD-CB 4.2Å; K503-M576 VanDerWaalsContact CD-O 3.32Å; K503-M576 WeakPolarHBondContact CD-O 3.42Å; K503-M576 PolarHBondContact NZ-O 3.45Å; K503-L580 HydrophobicContact CB-CB 4.48Å; K503-L580 HydrophobicContact CB-CD1 4.16Å; K503-L580 HydrophobicContact CD-CB 3.95Å; K503-L580 VanDerWaalsContact CE-O 3.3Å; K503-L580 WeakPolarHBondContact CE-O 3.35Å; K503-L580 HydrophobicContact CG-CB 4.32Å; K503-L580 PolarHBondContact NZ-O 3.17Å; K503-D582 WeakPolarHBondContact CE-OD1 3.13Å; K503-D582 IonicContact NZ-OD1 2.64Å
504	W	92.6	Very high	81.5	Confident	85 Å²	85	37.7 Å²	37.7	32%	0.322	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	152.7	-177.7	66	112.1	0	0	0	111.1	V501 F513 G514 L609	V501-W504 HydrophobicContact CG1-CB 4.2Å; W504-F513 HydrophobicContact CB-CE1 4.32Å; W504-F513 HydrophobicContact CB-CZ 3.85Å; W504-F513 AromaticContact CD1-CZ 3.89Å; W504-F513 HydrophobicContact CG-CZ 4.25Å; W504-G514 CarbonylContact C-O 3.46Å; W504-G514 VanDerWaalsContact CA-O 3.26Å; W504-G514 WeakPolarHBondContact CA-O 3.33Å; W504-L609 HydrophobicContact CG-CD2 4.02Å; W504-L609 VanDerWaalsContact NE1-CD2 3.32Å
505	V	86.1	Confident	82.5	Confident	13 Å²	13	35.8 Å²	35.8	8%	0.079	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	126.5	-180	-162.8	0	0	0	0	109.4	Y507 G514 Y575 M576 L580	V505-Y507 HydrophobicContact CB-CD2 4.5Å; V505-Y507 HydrophobicContact CG1-CD2 3.42Å; V505-Y507 VanDerWaalsContact CG1-CD2 3.42Å; V505-Y507 HydrophobicContact CG1-CE2 3.49Å; V505-Y507 VanDerWaalsContact CG1-CE2 3.49Å; V505-G514 PolarHBondContact N-O 2.91Å; V505-G514 PolarHBondContact O-N 3.26Å; V505-Y575 HydrophobicContact CG1-CD1 4.46Å; V505-Y575 HydrophobicContact CG1-CE1 4.18Å; V505-Y575 HydrophobicContact CG2-CD1 3.8Å; V505-Y575 HydrophobicContact CG2-CE1 3.82Å; V505-M576 HydrophobicContact CG2-CG 3.5Å; V505-M576 VanDerWaalsContact CG2-CG 3.5Å; V505-M576 HydrophobicContact CG2-SD 3.88Å; V505-L580 HydrophobicContact CG2-CD1 4.03Å
506	D	83.3	Confident	83.8	Confident	54 Å²	54	29.3 Å²	29.3	29%	0.289	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	104.1	177.8	179	9.3	0	0	0	110.7	S508 F513 K604	D506-S508 VanDerWaalsContact OD1-CB 3.29Å; D506-S508 WeakPolarHBondContact OD1-CB 3.46Å; D506-S508 PolarHBondContact OD1-N 3.31Å; D506-S508 PolarHBondContact OD1-OG 3.34Å; D506-F513 HydrophobicContact CB-CD2 4.14Å; D506-F513 HydrophobicContact CB-CE2 4.23Å; D506-K604 IonicContact OD2-NZ 2.69Å
507	Y	79.1	Confident	84.9	Confident	23 Å²	23	28.3 Å²	28.3	9%	0.09	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	30.3	171.3	-90.5	-87.4	0	0	0	111	A357 F361 V505 N509 K510 Y511 G512 F572	A357-Y507 HydrophobicContact CB-CE2 4.25Å; A357-Y507 WeakPolarHBondContact CB-OH 3.39Å; F361-Y507 AromaticContact CD2-CE1 3.91Å; F361-Y507 HydrophobicContact CD2-CE1 3.91Å; F361-Y507 HydrophobicContact CD2-CE2 4.17Å; F361-Y507 AromaticContact CD2-CZ 3.6Å; F361-Y507 HydrophobicContact CE2-CD1 4.33Å; F361-Y507 AromaticContact CE2-CD2 3.93Å; F361-Y507 HydrophobicContact CE2-CD2 3.93Å; F361-Y507 AromaticContact CE2-CE1 3.78Å; F361-Y507 HydrophobicContact CE2-CE1 3.78Å; F361-Y507 AromaticContact CE2-CE2 3.35Å; F361-Y507 HydrophobicContact CE2-CE2 3.35Å; F361-Y507 HydrophobicContact CE2-CG 4.4Å; F361-Y507 AromaticContact CE2-CZ 3.26Å; F361-Y507 HydrophobicContact CZ-CD2 4.07Å; F361-Y507 HydrophobicContact CZ-CE1 4.38Å; F361-Y507 AromaticContact CZ-CE2 3.96Å; F361-Y507 HydrophobicContact CZ-CE2 3.96Å; F361-Y507 HydrophobicContact CZ-CG 4.37Å; V505-Y507 HydrophobicContact CB-CD2 4.5Å; V505-Y507 HydrophobicContact CG1-CD2 3.42Å; V505-Y507 VanDerWaalsContact CG1-CD2 3.42Å; V505-Y507 HydrophobicContact CG1-CE2 3.49Å; V505-Y507 VanDerWaalsContact CG1-CE2 3.49Å; Y507-N509 PolarHBondContact O-N 2.66Å; Y507-N509 VanDerWaalsContact O-N 3.11Å; Y507-K510 PolarHBondContact O-N 3.46Å; Y507-Y511 PolarHBondContact O-N 2.77Å; Y507-G512 CarbonylContact C-O 3.29Å; Y507-G512 VanDerWaalsContact CA-O 3.3Å; Y507-G512 WeakPolarHBondContact CA-O 3.36Å; Y507-G512 PolarHBondContact N-O 2.87Å; Y507-G512 VanDerWaalsContact N-O 3.11Å; Y507-G512 PolarHBondContact O-N 3.03Å; Y507-F572 HydrophobicContact CD2-CE1 4.35Å; Y507-F572 HydrophobicContact CD2-CZ 4.43Å; Y507-F572 HydrophobicContact CG-CE1 4.4Å; Y507-F572 HydrophobicContact CG-CZ 4.33Å
508	S	76.4	Confident	85.7	Confident	24 Å²	24	27.8 Å²	27.8	17%	0.168	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.4	-178.2	58.3	0	0	0	0	113.6	D506 K510 G512 N527 W602	D506-S508 VanDerWaalsContact OD1-CB 3.29Å; D506-S508 WeakPolarHBondContact OD1-CB 3.46Å; D506-S508 PolarHBondContact OD1-N 3.31Å; D506-S508 PolarHBondContact OD1-OG 3.34Å; S508-K510 PolarHBondContact O-N 3.06Å; S508-G512 PolarHBondContact N-O 2.78Å; S508-G512 VanDerWaalsContact N-O 3.13Å; S508-N527 VanDerWaalsContact O-CG 3.25Å; S508-N527 PolarHBondContact O-ND2 2.83Å; S508-N527 PolarHBondContact O-OD1 2.77Å; S508-N527 VanDerWaalsContact O-OD1 3.05Å; S508-W602 VanDerWaalsContact CB-CZ2 3.49Å
509	N	58.2	Low	85.9	Confident	105 Å²	105	27.9 Å²	27.9	56%	0.561	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.7	173.3	70	-17.5	0	0	0	114.3	H352 Y507	H352-N509 PolarHBondContact CE1-ND2 2.97Å; H352-N509 VanDerWaalsContact CE1-ND2 3.25Å; H352-N509 PolarHBondContact NE2-ND2 2.68Å; Y507-N509 PolarHBondContact O-N 2.66Å; Y507-N509 VanDerWaalsContact O-N 3.11Å
510	K	66.3	Low	85.9	Confident	131 Å²	131	30.9 Å²	30.9	57%	0.57	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-138.7	-43.3	-174.8	-169.3	174	-178.4	-162.5	0	114.4	Y507 S508	Y507-K510 PolarHBondContact O-N 3.46Å; S508-K510 PolarHBondContact O-N 3.06Å
511	Y	79	Confident	86	Confident	54 Å²	54	31.3 Å²	31.3	21%	0.212	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-44.8	-168.9	-61.9	-61.5	0	0	0	112.6	Y507 F526 N527 V568	Y507-Y511 PolarHBondContact O-N 2.77Å; Y511-F526 WeakPolarHBondContact O-CA 3.4Å; Y511-F526 VanDerWaalsContact O-CD1 3.27Å; Y511-F526 WeakPolarHBondContact O-CD1 3.29Å; Y511-N527 PolarHBondContact O-N 3.27Å; Y511-V568 HydrophobicContact CD1-CG2 3.7Å; Y511-V568 HydrophobicContact CE1-CG2 4.04Å; Y511-V568 HydrophobicContact CG-CG1 4.27Å; Y511-V568 HydrophobicContact CG-CG2 4.09Å
512	G	84.3	Confident	86	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.5	-173.6	-174	0	0	0	0	0	112.5	Y507 S508 L525 N527	Y507-G512 CarbonylContact C-O 3.29Å; Y507-G512 VanDerWaalsContact CA-O 3.3Å; Y507-G512 WeakPolarHBondContact CA-O 3.36Å; Y507-G512 PolarHBondContact N-O 2.87Å; Y507-G512 VanDerWaalsContact N-O 3.11Å; Y507-G512 PolarHBondContact O-N 3.03Å; S508-G512 PolarHBondContact N-O 2.78Å; S508-G512 VanDerWaalsContact N-O 3.13Å; G512-L525 CarbonylContact C-O 3.57Å; G512-L525 WeakPolarHBondContact CA-O 3.49Å; G512-N527 WeakPolarHBondContact CA-OD1 3.49Å; G512-N527 PolarHBondContact N-OD1 3.11Å
513	F	91.9	Very high	86.2	Confident	1 Å²	1	31 Å²	31	0%	0.004	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123.1	179	-175.1	-88.6	0	0	0	110.4	W504 D506 Y515 V524 L525 L599 W602 L609 M611	W504-F513 HydrophobicContact CB-CE1 4.32Å; W504-F513 HydrophobicContact CB-CZ 3.85Å; W504-F513 AromaticContact CD1-CZ 3.89Å; W504-F513 HydrophobicContact CG-CZ 4.25Å; D506-F513 HydrophobicContact CB-CD2 4.14Å; D506-F513 HydrophobicContact CB-CE2 4.23Å; F513-Y515 HydrophobicContact CD1-CD1 4.36Å; F513-Y515 HydrophobicContact CE1-CD1 4.48Å; F513-V524 CarbonylContact O-C 3.54Å; F513-V524 WeakPolarHBondContact O-CA 3.17Å; F513-L525 PolarHBondContact N-O 3Å; F513-L525 PolarHBondContact O-N 3.41Å; F513-L599 HydrophobicContact CD1-CD2 3.53Å; F513-L599 HydrophobicContact CE1-CD2 3.98Å; F513-W602 HydrophobicContact CB-CD2 4.25Å; F513-W602 HydrophobicContact CB-CG 4.3Å; F513-W602 HydrophobicContact CB-CZ2 4.13Å; F513-W602 VanDerWaalsContact CB-NE1 3.27Å; F513-W602 HydrophobicContact CD1-CG 4.18Å; F513-W602 AromaticContact CD2-CD2 3.71Å; F513-W602 HydrophobicContact CD2-CD2 3.71Å; F513-W602 AromaticContact CD2-CE2 3.81Å; F513-W602 HydrophobicContact CD2-CE3 4.02Å; F513-W602 HydrophobicContact CD2-CG 4.08Å; F513-W602 HydrophobicContact CD2-CH2 4.41Å; F513-W602 HydrophobicContact CD2-CZ2 4.2Å; F513-W602 HydrophobicContact CD2-CZ3 4.35Å; F513-W602 HydrophobicContact CE2-CD2 4.25Å; F513-W602 HydrophobicContact CE2-CE3 4.28Å; F513-W602 AromaticContact CG-CD1 3.77Å; F513-W602 AromaticContact CG-CD2 3.95Å; F513-W602 HydrophobicContact CG-CD2 3.95Å; F513-W602 AromaticContact CG-CE2 3.85Å; F513-W602 AromaticContact CG-CG 3.92Å; F513-W602 HydrophobicContact CG-CG 3.92Å; F513-W602 AromaticContact CG-NE1 3.72Å; F513-L609 HydrophobicContact CE2-CD1 4.19Å; F513-L609 HydrophobicContact CE2-CD2 4.11Å; F513-L609 HydrophobicContact CZ-CD1 4.39Å; F513-L609 HydrophobicContact CZ-CD2 3.77Å; F513-M611 HydrophobicContact CE1-SD 4.07Å; F513-M611 HydrophobicContact CZ-SD 4.13Å
514	G	93.8	Very high	86.2	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	142.8	-179.8	0	0	0	0	0	112.4	W504 V505 G523 F572	W504-G514 CarbonylContact C-O 3.46Å; W504-G514 VanDerWaalsContact CA-O 3.26Å; W504-G514 WeakPolarHBondContact CA-O 3.33Å; V505-G514 PolarHBondContact N-O 2.91Å; V505-G514 PolarHBondContact O-N 3.26Å; G514-G523 WeakPolarHBondContact CA-O 3.14Å; G514-F572 VanDerWaalsContact CA-CD2 3.43Å
515	Y	94.8	Very high	86.1	Confident	1 Å²	1	26.3 Å²	26.3	0%	0.004	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	154.6	173.4	62	-84.2	0	0	0	111.3	V501 K503 F513 L517 V522 G523 H531 Y598 L599 F613	V501-Y515 HydrophobicContact CG2-CD2 4.22Å; K503-Y515 CarbonylContact O-C 3.53Å; K503-Y515 WeakPolarHBondContact O-CA 3.3Å; F513-Y515 HydrophobicContact CD1-CD1 4.36Å; F513-Y515 HydrophobicContact CE1-CD1 4.48Å; Y515-L517 HydrophobicContact CD2-CD2 3.81Å; Y515-L517 HydrophobicContact CD2-CG 4.11Å; Y515-L517 HydrophobicContact CE2-CD1 4.41Å; Y515-L517 HydrophobicContact CE2-CD2 3.85Å; Y515-L517 HydrophobicContact CE2-CG 3.99Å; Y515-V522 CarbonylContact O-C 3.6Å; Y515-V522 WeakPolarHBondContact O-CA 3.49Å; Y515-G523 WeakPolarHBondContact CD1-O 3.48Å; Y515-G523 PolarHBondContact N-O 2.87Å; Y515-G523 PolarHBondContact O-N 2.62Å; Y515-H531 AromaticContact CZ-NE2 3.75Å; Y515-H531 PolarHBondContact OH-CD2 2.93Å; Y515-H531 PolarHBondContact OH-NE2 3.31Å; Y515-Y598 WeakPolarHBondContact OH-CA 3.24Å; Y515-L599 HydrophobicContact CD1-CB 4.2Å; Y515-L599 HydrophobicContact CD1-CD2 3.93Å; Y515-L599 HydrophobicContact CE1-CB 3.43Å; Y515-L599 VanDerWaalsContact CE1-CB 3.43Å; Y515-L599 HydrophobicContact CE1-CD2 3.9Å; Y515-L599 HydrophobicContact CE1-CG 4.29Å; Y515-L599 PolarHBondContact OH-N 3.27Å; Y515-F613 HydrophobicContact CD2-CE1 4.27Å; Y515-F613 HydrophobicContact CD2-CZ 4.42Å; Y515-F613 AromaticContact CE2-CE1 3.77Å; Y515-F613 HydrophobicContact CE2-CE1 3.77Å; Y515-F613 HydrophobicContact CE2-CZ 4.36Å; Y515-F613 AromaticContact CZ-CE1 3.98Å
516	Q	94.1	Very high	86.1	Confident	4 Å²	4	26.3 Å²	26.3	2%	0.019	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.2	170.5	-172.1	-178.6	-62.1	0	0	108.5	V501 T502 K503 T521 V522 M576	V501-Q516 WeakPolarHBondContact CA-O 3.27Å; T502-Q516 PolarHBondContact N-O 3.22Å; T502-Q516 PolarHBondContact OG1-O 2.92Å; K503-Q516 HydrophobicContact CB-CB 4Å; K503-Q516 PolarHBondContact N-O 3.05Å; K503-Q516 PolarHBondContact O-N 2.93Å; Q516-T521 CarbonylContact C-O 3.49Å; Q516-T521 WeakPolarHBondContact CA-O 2.95Å; Q516-V522 HydrophobicContact CB-CG2 4.17Å; Q516-V522 HydrophobicContact CG-CG2 3.86Å; Q516-M576 HydrophobicContact CB-CE 4.13Å; Q516-M576 HydrophobicContact CB-SD 3.98Å
517	L	92.1	Very high	86	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	162.9	174.3	-60.3	-179.2	0	0	0	111.2	W500 V501 Y515 D519 H520 T521 L597 F613	W500-L517 CarbonylContact O-C 3.38Å; W500-L517 VanDerWaalsContact O-CA 3.24Å; W500-L517 WeakPolarHBondContact O-CA 3.33Å; V501-L517 HydrophobicContact CG2-CD2 3.98Å; Y515-L517 HydrophobicContact CD2-CD2 3.81Å; Y515-L517 HydrophobicContact CD2-CG 4.11Å; Y515-L517 HydrophobicContact CE2-CD1 4.41Å; Y515-L517 HydrophobicContact CE2-CD2 3.85Å; Y515-L517 HydrophobicContact CE2-CG 3.99Å; L517-D519 WeakPolarHBondContact CB-OD1 3.44Å; L517-D519 PolarHBondContact O-N 2.95Å; L517-D519 VanDerWaalsContact O-N 3.13Å; L517-H520 WeakPolarHBondContact O-CA 3Å; L517-H520 PolarHBondContact O-N 2.82Å; L517-T521 HydrophobicContact CD1-CG2 4.41Å; L517-T521 PolarHBondContact N-O 3.22Å; L517-L597 HydrophobicContact CD1-CB 3.91Å; L517-L597 HydrophobicContact CD1-CD2 4.12Å; L517-L597 HydrophobicContact CD2-CD2 3.77Å; L517-F613 HydrophobicContact CD2-CE1 4.34Å
518	S	89.6	Confident	85.9	Confident	12 Å²	12	31 Å²	31	8%	0.084	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-18	178.7	60.4	0	0	0	0	114.4	Q499 W500 H520 S588	Q499-S518 WeakPolarHBondContact CA-OG 3.4Å; W500-S518 PolarHBondContact N-OG 2.93Å; W500-S518 PolarHBondContact O-N 3.01Å; S518-H520 VanDerWaalsContact C-N 3.35Å; S518-S588 VanDerWaalsContact C-CB 3.49Å; S518-S588 WeakPolarHBondContact O-CB 3.36Å; S518-S588 PolarHBondContact O-OG 3.3Å; S518-S588 PolarHBondContact OG-OG 3.1Å
519	D	87.9	Confident	85.9	Confident	14 Å²	14	30 Å²	30	8%	0.075	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	6.7	173.2	72.9	-14.2	0	0	0	113.8	Q499 L517 T521 P536 S588 T590	Q499-D519 PolarHBondContact NE2-OD2 2.6Å; L517-D519 WeakPolarHBondContact CB-OD1 3.44Å; L517-D519 PolarHBondContact O-N 2.95Å; L517-D519 VanDerWaalsContact O-N 3.13Å; D519-T521 VanDerWaalsContact C-N 3.27Å; D519-T521 VanDerWaalsContact CG-OG1 3.22Å; D519-T521 PolarHBondContact O-N 3.34Å; D519-T521 WeakPolarHBondContact OD1-CB 3.3Å; D519-T521 PolarHBondContact OD1-N 3.02Å; D519-T521 PolarHBondContact OD1-OG1 3.34Å; D519-T521 PolarHBondContact OD2-OG1 3.14Å; D519-P536 WeakPolarHBondContact O-CB 3.45Å; D519-P536 WeakPolarHBondContact O-CG 3.33Å; D519-S588 PolarHBondContact N-OG 3.28Å; D519-T590 HydrophobicContact CB-CG2 3.88Å
520	H	88.4	Confident	87.1	Confident	103 Å²	103	25.2 Å²	25.2	48%	0.477	12%	0.123	S	C	.	.	S	Bend	trans	71.5	9.5	-174.8	-47.9	-74.7	0	0	0	116.1	L517 S518 V522 P536 K538	L517-H520 WeakPolarHBondContact O-CA 3Å; L517-H520 PolarHBondContact O-N 2.82Å; S518-H520 VanDerWaalsContact C-N 3.35Å; H520-V522 PolarHBondContact O-N 3.13Å; H520-P536 HydrophobicContact CB-CB 4.46Å; H520-K538 PolarHBondContact O-NZ 3.05Å
521	T	91.7	Very high	88.3	Confident	10 Å²	10	19 Å²	19	6%	0.061	10%	0.096	C	C	.	.			trans	-64.3	132.1	165.4	-60.7	0	0	0	0	109	Q516 L517 D519 L535 P536	Q516-T521 CarbonylContact C-O 3.49Å; Q516-T521 WeakPolarHBondContact CA-O 2.95Å; L517-T521 HydrophobicContact CD1-CG2 4.41Å; L517-T521 PolarHBondContact N-O 3.22Å; D519-T521 VanDerWaalsContact C-N 3.27Å; D519-T521 VanDerWaalsContact CG-OG1 3.22Å; D519-T521 PolarHBondContact O-N 3.34Å; D519-T521 WeakPolarHBondContact OD1-CB 3.3Å; D519-T521 PolarHBondContact OD1-N 3.02Å; D519-T521 PolarHBondContact OD1-OG1 3.34Å; D519-T521 PolarHBondContact OD2-OG1 3.14Å; T521-L535 HydrophobicContact CG2-CD2 4.45Å; T521-P536 WeakPolarHBondContact OG1-CD 3.3Å
522	V	94.1	Very high	88.9	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.4	177.9	170.9	0	0	0	0	109.1	Y515 Q516 H520 S533 L534 L569 M576	Y515-V522 CarbonylContact O-C 3.6Å; Y515-V522 WeakPolarHBondContact O-CA 3.49Å; Q516-V522 HydrophobicContact CB-CG2 4.17Å; Q516-V522 HydrophobicContact CG-CG2 3.86Å; H520-V522 PolarHBondContact O-N 3.13Å; V522-S533 CarbonylContact O-C 3.58Å; V522-S533 WeakPolarHBondContact O-CA 3.25Å; V522-L534 PolarHBondContact N-O 2.85Å; V522-L534 PolarHBondContact O-N 2.86Å; V522-L569 HydrophobicContact CG1-CD1 4.06Å; V522-L569 WeakPolarHBondContact O-CD1 3.5Å; V522-M576 HydrophobicContact CB-CE 4.38Å; V522-M576 HydrophobicContact CG1-CE 3.46Å; V522-M576 VanDerWaalsContact CG1-CE 3.46Å; V522-M576 HydrophobicContact CG2-CE 4.13Å
523	G	93.8	Very high	89.3	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	150.8	178.6	0	0	0	0	0	112.6	G514 Y515 M532	G514-G523 WeakPolarHBondContact CA-O 3.14Å; Y515-G523 WeakPolarHBondContact CD1-O 3.48Å; Y515-G523 PolarHBondContact N-O 2.87Å; Y515-G523 PolarHBondContact O-N 2.62Å; G523-M532 CarbonylContact C-O 3.58Å; G523-M532 WeakPolarHBondContact CA-O 3.41Å
524	V	93.4	Very high	89.3	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	124.7	170.5	-175.1	0	0	0	0	109.3	F513 F526 H531 M532 L569 F572	F513-V524 CarbonylContact O-C 3.54Å; F513-V524 WeakPolarHBondContact O-CA 3.17Å; V524-F526 HydrophobicContact CB-CD2 4.39Å; V524-F526 HydrophobicContact CB-CE2 3.89Å; V524-F526 HydrophobicContact CB-CZ 3.96Å; V524-F526 HydrophobicContact CG1-CD1 4.03Å; V524-F526 HydrophobicContact CG1-CD2 4.06Å; V524-F526 HydrophobicContact CG1-CE1 3.81Å; V524-F526 HydrophobicContact CG1-CE2 3.85Å; V524-F526 HydrophobicContact CG1-CG 4.13Å; V524-F526 HydrophobicContact CG1-CZ 3.7Å; V524-H531 WeakPolarHBondContact O-CA 3.34Å; V524-H531 PolarHBondContact O-CD2 2.63Å; V524-M532 PolarHBondContact N-O 3.06Å; V524-M532 PolarHBondContact O-N 2.85Å; V524-L569 HydrophobicContact CG2-CB 4.31Å; V524-L569 HydrophobicContact CG2-CD1 3.72Å; V524-F572 HydrophobicContact CB-CD2 4.49Å; V524-F572 HydrophobicContact CG1-CD2 4.24Å; V524-F572 HydrophobicContact CG1-CE2 3.92Å; V524-F572 HydrophobicContact CG2-CB 4.37Å; V524-F572 HydrophobicContact CG2-CD2 3.48Å; V524-F572 VanDerWaalsContact CG2-CD2 3.48Å; V524-F572 HydrophobicContact CG2-CE2 4.04Å; V524-F572 HydrophobicContact CG2-CG 4.23Å
525	L	90.8	Very high	89.2	Confident	3 Å²	3	18 Å²	18	2%	0.016	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	106.9	163.6	-179.2	63.9	0	0	0	108.2	L450 G512 F513 H531 L599	L450-L525 HydrophobicContact CB-CD1 4.07Å; L450-L525 HydrophobicContact CD1-CD1 3.48Å; L450-L525 VanDerWaalsContact CD1-CD1 3.48Å; L450-L525 HydrophobicContact CG-CD1 4.4Å; G512-L525 CarbonylContact C-O 3.57Å; G512-L525 WeakPolarHBondContact CA-O 3.49Å; F513-L525 PolarHBondContact N-O 3Å; F513-L525 PolarHBondContact O-N 3.41Å; L525-H531 HydrophobicContact CD1-CB 4.37Å; L525-L599 HydrophobicContact CB-CD2 4.14Å; L525-L599 HydrophobicContact CD2-CD2 4.22Å; L525-L599 HydrophobicContact CD2-CG 4.44Å
526	F	85.6	Confident	88.8	Confident	13 Å²	13	20.4 Å²	20.4	6%	0.057	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	155.7	-178.2	-69.1	-84.4	0	0	0	111.6	Y511 V524 N528 G529 A530 M532 Q565 V568	Y511-F526 WeakPolarHBondContact O-CA 3.4Å; Y511-F526 VanDerWaalsContact O-CD1 3.27Å; Y511-F526 WeakPolarHBondContact O-CD1 3.29Å; V524-F526 HydrophobicContact CB-CD2 4.39Å; V524-F526 HydrophobicContact CB-CE2 3.89Å; V524-F526 HydrophobicContact CB-CZ 3.96Å; V524-F526 HydrophobicContact CG1-CD1 4.03Å; V524-F526 HydrophobicContact CG1-CD2 4.06Å; V524-F526 HydrophobicContact CG1-CE1 3.81Å; V524-F526 HydrophobicContact CG1-CE2 3.85Å; V524-F526 HydrophobicContact CG1-CG 4.13Å; V524-F526 HydrophobicContact CG1-CZ 3.7Å; F526-N528 WeakPolarHBondContact CB-OD1 3.46Å; F526-N528 PolarHBondContact O-N 2.93Å; F526-N528 VanDerWaalsContact O-N 3.12Å; F526-G529 PolarHBondContact O-N 2.76Å; F526-A530 WeakPolarHBondContact CB-O 3.27Å; F526-A530 WeakPolarHBondContact CD2-O 3.43Å; F526-A530 PolarHBondContact N-O 2.82Å; F526-M532 HydrophobicContact CD2-CB 4.49Å; F526-M532 HydrophobicContact CE2-CB 3.69Å; F526-Q565 HydrophobicContact CD1-CG 4.12Å; F526-Q565 HydrophobicContact CD2-CG 4.44Å; F526-Q565 HydrophobicContact CE1-CB 3.92Å; F526-Q565 HydrophobicContact CE1-CG 3.86Å; F526-Q565 HydrophobicContact CE2-CB 3.94Å; F526-Q565 HydrophobicContact CE2-CG 4.19Å; F526-Q565 HydrophobicContact CG-CG 4.42Å; F526-Q565 HydrophobicContact CZ-CB 3.55Å; F526-Q565 HydrophobicContact CZ-CG 3.92Å; F526-Q565 WeakPolarHBondContact CZ-O 3.48Å; F526-V568 HydrophobicContact CE1-CB 4.01Å; F526-V568 HydrophobicContact CE1-CG1 3.92Å; F526-V568 HydrophobicContact CZ-CB 4.44Å; F526-V568 HydrophobicContact CZ-CG1 4.48Å
527	N	80.5	Confident	88.4	Confident	86 Å²	86	23.8 Å²	23.8	46%	0.46	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.7	179.5	-69.5	-8.4	0	0	0	114.3	S508 Y511 G512 G529	S508-N527 VanDerWaalsContact O-CG 3.25Å; S508-N527 PolarHBondContact O-ND2 2.83Å; S508-N527 PolarHBondContact O-OD1 2.77Å; S508-N527 VanDerWaalsContact O-OD1 3.05Å; Y511-N527 PolarHBondContact O-N 3.27Å; G512-N527 WeakPolarHBondContact CA-OD1 3.49Å; G512-N527 PolarHBondContact N-OD1 3.11Å; N527-G529 PolarHBondContact O-N 2.8Å
528	N	77.7	Confident	88.1	Confident	89 Å²	89	26.9 Å²	26.9	48%	0.476	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	10.9	174.4	66.7	-12.8	0	0	0	112.6	F526 A530	F526-N528 WeakPolarHBondContact CB-OD1 3.46Å; F526-N528 PolarHBondContact O-N 2.93Å; F526-N528 VanDerWaalsContact O-N 3.12Å; N528-A530 PolarHBondContact O-N 2.87Å; N528-A530 WeakPolarHBondContact OD1-CB 3.36Å; N528-A530 PolarHBondContact OD1-N 3.17Å
529	G	76.8	Confident	87.9	Confident	4 Å²	4	33.4 Å²	33.4	4%	0.041	17%	0.169	C	C	.	.	S	Bend	trans	78.3	1.2	179.5	0	0	0	0	0	114.5	L450 F526 N527	L450-G529 WeakPolarHBondContact CD1-O 3.39Å; F526-G529 PolarHBondContact O-N 2.76Å; N527-G529 PolarHBondContact O-N 2.8Å
530	A	83.5	Confident	88	Confident	4 Å²	4	34.5 Å²	34.5	3%	0.033	18%	0.177	C	C	.	.			trans	-82.4	144.9	175.3	0	0	0	0	0	111.5	F526 N528 Y543	F526-A530 WeakPolarHBondContact CB-O 3.27Å; F526-A530 WeakPolarHBondContact CD2-O 3.43Å; F526-A530 PolarHBondContact N-O 2.82Å; N528-A530 PolarHBondContact O-N 2.87Å; N528-A530 WeakPolarHBondContact OD1-CB 3.36Å; N528-A530 PolarHBondContact OD1-N 3.17Å; A530-Y543 HydrophobicContact CB-CE2 3.72Å
531	H	89.8	Confident	88.2	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	139.9	173.1	170.6	-91.2	0	0	0	111.3	L450 Y515 V524 L525 S533 Y544 Y598	L450-H531 HydrophobicContact CD1-CB 3.44Å; L450-H531 VanDerWaalsContact CD1-CB 3.44Å; Y515-H531 AromaticContact CZ-NE2 3.75Å; Y515-H531 PolarHBondContact OH-CD2 2.93Å; Y515-H531 PolarHBondContact OH-NE2 3.31Å; V524-H531 WeakPolarHBondContact O-CA 3.34Å; V524-H531 PolarHBondContact O-CD2 2.63Å; L525-H531 HydrophobicContact CD1-CB 4.37Å; H531-S533 PolarHBondContact CE1-OG 3.02Å; H531-S533 PolarHBondContact NE2-OG 3.11Å; H531-Y544 AromaticContact CE1-CD2 3.89Å; H531-Y544 PolarHBondContact N-O 3.13Å; H531-Y544 AromaticContact ND1-CD2 3.22Å; H531-Y544 WeakPolarHBondContact ND1-CD2 3.21Å; H531-Y544 AromaticContact ND1-CE2 3.9Å; H531-Y544 PolarHBondContact O-N 3.11Å; H531-Y598 WeakPolarHBondContact CE1-CB 3.26Å
532	M	91.9	Very high	88.2	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	142.5	176.4	-156.3	-176.2	-79	0	0	110.4	G523 V524 F526 V541 H542 Y543 F553 F562 Q565 V566 L569	G523-M532 CarbonylContact C-O 3.58Å; G523-M532 WeakPolarHBondContact CA-O 3.41Å; V524-M532 PolarHBondContact N-O 3.06Å; V524-M532 PolarHBondContact O-N 2.85Å; F526-M532 HydrophobicContact CD2-CB 4.49Å; F526-M532 HydrophobicContact CE2-CB 3.69Å; M532-V541 HydrophobicContact CG-CG1 3.44Å; M532-V541 VanDerWaalsContact CG-CG1 3.44Å; M532-V541 HydrophobicContact SD-CG1 3.63Å; M532-H542 CarbonylContact C-O 3.53Å; M532-H542 WeakPolarHBondContact CA-O 3.29Å; M532-H542 VanDerWaalsContact CG-O 3.24Å; M532-H542 WeakPolarHBondContact CG-O 3.3Å; M532-Y543 HydrophobicContact CB-CD2 4.47Å; M532-Y543 HydrophobicContact CE-CD2 3.53Å; M532-Y543 HydrophobicContact CE-CE2 4.19Å; M532-Y543 HydrophobicContact CE-CG 4.35Å; M532-Y543 HydrophobicContact CG-CD2 4.37Å; M532-F553 HydrophobicContact CE-CZ 4.34Å; M532-F562 HydrophobicContact CE-CB 4.2Å; M532-F562 HydrophobicContact CE-CD1 4.37Å; M532-F562 HydrophobicContact CE-CG 4.39Å; M532-Q565 HydrophobicContact CE-CB 3.54Å; M532-Q565 HydrophobicContact SD-CB 4.26Å; M532-V566 HydrophobicContact CE-CG2 4.15Å; M532-V566 HydrophobicContact SD-CB 4.44Å; M532-V566 HydrophobicContact SD-CG2 3.6Å; M532-L569 HydrophobicContact CB-CD2 4.22Å; M532-L569 HydrophobicContact CG-CD2 3.7Å; M532-L569 HydrophobicContact SD-CD2 3.73Å
533	S	93.2	Very high	87.9	Confident	6 Å²	6	31.5 Å²	31.5	4%	0.042	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	138.7	178.1	-67.1	0	0	0	0	112.5	V522 H531 V541 H542	V522-S533 CarbonylContact O-C 3.58Å; V522-S533 WeakPolarHBondContact O-CA 3.25Å; H531-S533 PolarHBondContact CE1-OG 3.02Å; H531-S533 PolarHBondContact NE2-OG 3.11Å; S533-V541 CarbonylContact O-C 3.58Å; S533-V541 VanDerWaalsContact O-CA 3.31Å; S533-V541 WeakPolarHBondContact O-CA 3.34Å; S533-H542 PolarHBondContact N-O 3.46Å; S533-H542 PolarHBondContact O-N 2.88Å
534	L	92.9	Very high	87.4	Confident	5 Å²	5	32.9 Å²	32.9	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	121	170.5	-177.6	64.7	0	0	0	108	V522 K538 V541 A555 L569	V522-L534 PolarHBondContact N-O 2.85Å; V522-L534 PolarHBondContact O-N 2.86Å; L534-K538 HydrophobicContact CD2-CD 4.04Å; L534-K538 HydrophobicContact CG-CD 4.38Å; L534-V541 HydrophobicContact CD1-CG2 3.91Å; L534-A555 HydrophobicContact CD1-CB 4.05Å; L534-L569 HydrophobicContact CB-CD1 3.95Å; L534-L569 HydrophobicContact CB-CD2 3.88Å; L534-L569 HydrophobicContact CB-CG 3.84Å
535	L	90.5	Very high	86.1	Confident	24 Å²	24	34.1 Å²	34.1	13%	0.126	18%	0.176	C	C	.	.			trans	-67.2	165.8	-178.9	-77.5	-171.7	0	0	0	113.3	T521 D537 K538 T540	T521-L535 HydrophobicContact CG2-CD2 4.45Å; L535-D537 WeakPolarHBondContact CB-OD1 3.26Å; L535-D537 PolarHBondContact O-N 2.83Å; L535-D537 VanDerWaalsContact O-N 3.14Å; L535-K538 WeakPolarHBondContact O-CA 3.42Å; L535-K538 PolarHBondContact O-N 3.35Å; L535-T540 HydrophobicContact CD1-CG2 3.67Å; L535-T540 HydrophobicContact CG-CG2 4.33Å; L535-T540 PolarHBondContact N-O 2.87Å
536	P	87.5	Confident	84.5	Confident	50 Å²	50	41.1 Å²	41.1	33%	0.325	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.9	177.5	-25	35.9	0	0	0	113.2	D519 H520 T521 K538	D519-P536 WeakPolarHBondContact O-CB 3.45Å; D519-P536 WeakPolarHBondContact O-CG 3.33Å; H520-P536 HydrophobicContact CB-CB 4.46Å; T521-P536 WeakPolarHBondContact OG1-CD 3.3Å; P536-K538 PolarHBondContact O-N 2.83Å
537	D	85.6	Confident	83	Confident	76 Å²	76	48.2 Å²	48.2	41%	0.406	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-10.9	173.7	71.2	3.1	0	0	0	114.1	L535 K539 T540	L535-D537 WeakPolarHBondContact CB-OD1 3.26Å; L535-D537 PolarHBondContact O-N 2.83Å; L535-D537 VanDerWaalsContact O-N 3.14Å; D537-K539 WeakPolarHBondContact O-CG 3.42Å; D537-K539 PolarHBondContact O-N 2.94Å; D537-K539 PolarHBondContact OD1-N 3.5Å; D537-T540 PolarHBondContact OD1-N 3.28Å; D537-T540 WeakPolarHBondContact OD2-CB 3.31Å; D537-T540 PolarHBondContact OD2-OG1 3.05Å
538	K	84.9	Confident	81.8	Confident	66 Å²	66	47.4 Å²	47.4	29%	0.287	26%	0.258	S	S	.	.	S	Bend	trans	54.8	16.4	-174.7	-51.3	-57.3	-175.2	-177.3	0	114.6	H520 L534 L535 P536 S573	H520-K538 PolarHBondContact O-NZ 3.05Å; L534-K538 HydrophobicContact CD2-CD 4.04Å; L534-K538 HydrophobicContact CG-CD 4.38Å; L535-K538 WeakPolarHBondContact O-CA 3.42Å; L535-K538 PolarHBondContact O-N 3.35Å; P536-K538 PolarHBondContact O-N 2.83Å; K538-S573 PolarHBondContact NZ-OG 3.41Å; K538-S573 VanDerWaalsContact NZ-OG 3.08Å
539	K	86.1	Confident	81.2	Confident	149 Å²	149	49.5 Å²	49.5	65%	0.648	27%	0.265	S	S	*	.	S	Bend	trans	-119	-26.7	-174.9	-73	175	-175.4	-178.6	0	112.2	D537 P554 A555	D537-K539 WeakPolarHBondContact O-CG 3.42Å; D537-K539 PolarHBondContact O-N 2.94Å; D537-K539 PolarHBondContact OD1-N 3.5Å; K539-P554 CarbonylContact O-C 3.56Å; K539-P554 WeakPolarHBondContact O-CA 3.33Å; K539-A555 WeakPolarHBondContact O-CB 3.5Å; K539-A555 PolarHBondContact O-N 2.74Å
540	T	90.3	Very high	81.4	Confident	37 Å²	37	52 Å²	52	23%	0.227	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.4	-173.2	-55.4	0	0	0	0	111	L535 D537 V552	L535-T540 HydrophobicContact CD1-CG2 3.67Å; L535-T540 HydrophobicContact CG-CG2 4.33Å; L535-T540 PolarHBondContact N-O 2.87Å; D537-T540 PolarHBondContact OD1-N 3.28Å; D537-T540 WeakPolarHBondContact OD2-CB 3.31Å; D537-T540 PolarHBondContact OD2-OG1 3.05Å; T540-V552 HydrophobicContact CG2-CG1 3.79Å
541	V	92.1	Very high	81.4	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	132.1	175.4	177.3	0	0	0	0	110.1	M532 S533 L534 V552 F553 A555 V566 L569	M532-V541 HydrophobicContact CG-CG1 3.44Å; M532-V541 VanDerWaalsContact CG-CG1 3.44Å; M532-V541 HydrophobicContact SD-CG1 3.63Å; S533-V541 CarbonylContact O-C 3.58Å; S533-V541 VanDerWaalsContact O-CA 3.31Å; S533-V541 WeakPolarHBondContact O-CA 3.34Å; L534-V541 HydrophobicContact CD1-CG2 3.91Å; V541-V552 WeakPolarHBondContact O-CA 3.37Å; V541-F553 HydrophobicContact CB-CD2 3.98Å; V541-F553 HydrophobicContact CB-CE2 3.67Å; V541-F553 HydrophobicContact CB-CZ 4.26Å; V541-F553 HydrophobicContact CG1-CD2 4.3Å; V541-F553 HydrophobicContact CG1-CE2 3.52Å; V541-F553 HydrophobicContact CG1-CZ 3.68Å; V541-F553 HydrophobicContact CG2-CE2 4.39Å; V541-F553 PolarHBondContact N-O 3.33Å; V541-F553 PolarHBondContact O-N 3.07Å; V541-A555 HydrophobicContact CG2-CB 3.72Å; V541-V566 HydrophobicContact CG1-CG2 4.4Å; V541-V566 HydrophobicContact CG2-CG1 4.42Å; V541-L569 HydrophobicContact CG1-CD2 3.97Å; V541-L569 HydrophobicContact CG2-CD2 4.16Å
542	H	90.7	Very high	81.4	Confident	16 Å²	16	57.9 Å²	57.9	7%	0.074	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.2	168.6	-78	-127.8	0	0	0	109.2	M532 S533 Y544 V552 R596	M532-H542 CarbonylContact C-O 3.53Å; M532-H542 WeakPolarHBondContact CA-O 3.29Å; M532-H542 VanDerWaalsContact CG-O 3.24Å; M532-H542 WeakPolarHBondContact CG-O 3.3Å; S533-H542 PolarHBondContact N-O 3.46Å; S533-H542 PolarHBondContact O-N 2.88Å; H542-Y544 HydrophobicContact CB-CD2 4.47Å; H542-Y544 HydrophobicContact CB-CE2 3.7Å; H542-V552 WeakPolarHBondContact CE1-CG2 3.42Å; H542-V552 WeakPolarHBondContact NE2-CG1 3.44Å; H542-R596 PolarHBondContact CD2-NH1 2.96Å; H542-R596 PolarHBondContact CE1-NH1 2.92Å; H542-R596 PolarHBondContact CE1-NH2 3.43Å; H542-R596 VanDerWaalsContact CE1-NH2 3.35Å; H542-R596 PolarHBondContact ND1-NH1 3.1Å; H542-R596 VanDerWaalsContact NE2-CZ 3.27Å; H542-R596 PolarHBondContact NE2-NH1 2.72Å; H542-R596 PolarHBondContact NE2-NH2 3.37Å
543	Y	88.8	Confident	81.4	Confident	34 Å²	34	58.8 Å²	58.8	13%	0.133	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.3	175.9	173.4	-101.3	0	0	0	109.1	A530 M532 A545 C550 S551 F562	A530-Y543 HydrophobicContact CB-CE2 3.72Å; M532-Y543 HydrophobicContact CB-CD2 4.47Å; M532-Y543 HydrophobicContact CE-CD2 3.53Å; M532-Y543 HydrophobicContact CE-CE2 4.19Å; M532-Y543 HydrophobicContact CE-CG 4.35Å; M532-Y543 HydrophobicContact CG-CD2 4.37Å; Y543-A545 HydrophobicContact CE1-CB 3.83Å; Y543-C550 CarbonylContact O-C 3.54Å; Y543-C550 WeakPolarHBondContact O-CA 3.37Å; Y543-S551 PolarHBondContact N-O 2.88Å; Y543-S551 PolarHBondContact O-N 3.21Å; Y543-F562 HydrophobicContact CD1-CE1 4.12Å; Y543-F562 HydrophobicContact CD1-CE2 4.17Å; Y543-F562 AromaticContact CD1-CZ 3.67Å; Y543-F562 HydrophobicContact CD1-CZ 3.67Å; Y543-F562 HydrophobicContact CD2-CD1 4.48Å; Y543-F562 HydrophobicContact CD2-CE1 4.21Å; Y543-F562 AromaticContact CE1-CE1 3.7Å; Y543-F562 HydrophobicContact CE1-CE1 3.7Å; Y543-F562 HydrophobicContact CE1-CE2 4.4Å; Y543-F562 AromaticContact CE1-CZ 3.46Å; Y543-F562 HydrophobicContact CE1-CZ 3.46Å; Y543-F562 VanDerWaalsContact CE1-CZ 3.46Å; Y543-F562 HydrophobicContact CE2-CD1 4.24Å; Y543-F562 AromaticContact CE2-CE1 3.76Å; Y543-F562 HydrophobicContact CE2-CE1 3.76Å; Y543-F562 HydrophobicContact CE2-CZ 4.3Å; Y543-F562 HydrophobicContact CG-CE1 4.35Å; Y543-F562 HydrophobicContact CG-CZ 4.19Å; Y543-F562 AromaticContact CZ-CE1 3.51Å; Y543-F562 AromaticContact CZ-CZ 3.81Å
544	Y	82.6	Confident	81.2	Confident	29 Å²	29	61.6 Å²	61.6	11%	0.114	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113.7	178.1	-61.9	-92.4	0	0	0	108.2	H531 H542 C550 Y598	H531-Y544 AromaticContact CE1-CD2 3.89Å; H531-Y544 PolarHBondContact N-O 3.13Å; H531-Y544 AromaticContact ND1-CD2 3.22Å; H531-Y544 WeakPolarHBondContact ND1-CD2 3.21Å; H531-Y544 AromaticContact ND1-CE2 3.9Å; H531-Y544 PolarHBondContact O-N 3.11Å; H542-Y544 HydrophobicContact CB-CD2 4.47Å; H542-Y544 HydrophobicContact CB-CE2 3.7Å; Y544-C550 HydrophobicContact CD1-CB 4.04Å; Y544-C550 HydrophobicContact CE1-CB 3.89Å; Y544-Y598 HydrophobicContact CD1-CE1 4.41Å; Y544-Y598 HydrophobicContact CE1-CD1 4.34Å; Y544-Y598 HydrophobicContact CE1-CE1 4.3Å
545	A	66.4	Low	80.7	Confident	25 Å²	25	61.5 Å²	61.5	21%	0.207	34%	0.341	C	S	.	.			trans	-83.3	167.1	175.2	0	0	0	0	0	111.7	Y543 L547 G548 Q549	Y543-A545 HydrophobicContact CE1-CB 3.83Å; A545-L547 PolarHBondContact O-N 2.88Å; A545-G548 PolarHBondContact O-N 3.36Å; A545-Q549 PolarHBondContact N-O 3.44Å; A545-Q549 VanDerWaalsContact N-O 3.14Å
546	E	58.3	Low	80.2	Confident	151 Å²	151	65.8 Å²	65.8	71%	0.706	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-19.8	-179.9	-63.9	176	170	0	0	114.7
547	L	53.2	Low	80.1	Confident	162 Å²	162	69.2 Å²	69.2	85%	0.848	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	21.8	-176.3	-68.1	166.8	0	0	0	114.1	A545 Q549	A545-L547 PolarHBondContact O-N 2.88Å; L547-Q549 PolarHBondContact O-N 2.73Å; L547-Q549 VanDerWaalsContact O-N 3.12Å
548	G	55	Low	79.9	Confident	68 Å²	68	66.5 Å²	66.5	70%	0.701	37%	0.372	S	S	*	.	S	Bend	trans	69.3	8.6	-178.5	0	0	0	0	0	114.2	A545 C550	A545-G548 PolarHBondContact O-N 3.36Å; G548-C550 PolarHBondContact O-N 2.94Å
549	Q	65.1	Low	79.8	Confident	133 Å²	133	65.8 Å²	65.8	62%	0.621	37%	0.374	S	S	*	.			trans	-79.9	115.4	176.9	-164.7	173.2	13.7	0	0	109.7	A545 L547	A545-Q549 PolarHBondContact N-O 3.44Å; A545-Q549 VanDerWaalsContact N-O 3.14Å; L547-Q549 PolarHBondContact O-N 2.73Å; L547-Q549 VanDerWaalsContact O-N 3.12Å
550	C	80.6	Confident	79.2	Confident	58 Å²	58	67.3 Å²	67.3	39%	0.392	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	122.6	175.1	-178.3	0	0	0	0	109.9	Y543 Y544 G548	Y543-C550 CarbonylContact O-C 3.54Å; Y543-C550 WeakPolarHBondContact O-CA 3.37Å; Y544-C550 HydrophobicContact CD1-CB 4.04Å; Y544-C550 HydrophobicContact CE1-CB 3.89Å; G548-C550 PolarHBondContact O-N 2.94Å
551	S	85.1	Confident	78.5	Confident	43 Å²	43	72.4 Å²	72.4	30%	0.301	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	136.8	168.8	-61.5	0	0	0	0	109.5	Y543	Y543-S551 PolarHBondContact N-O 2.88Å; Y543-S551 PolarHBondContact O-N 3.21Å
552	V	89.6	Confident	78	Confident	84 Å²	84	73.3 Å²	73.3	51%	0.509	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	130.2	179	-175.2	0	0	0	0	108.6	T540 V541 H542	T540-V552 HydrophobicContact CG2-CG1 3.79Å; V541-V552 WeakPolarHBondContact O-CA 3.37Å; H542-V552 WeakPolarHBondContact CE1-CG2 3.42Å; H542-V552 WeakPolarHBondContact NE2-CG1 3.44Å
553	F	91.2	Very high	77.3	Confident	18 Å²	18	76 Å²	76	8%	0.079	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	156.2	178.4	48.5	-96.3	0	0	0	111.4	M532 V541 A558 P559 F562 V566	M532-F553 HydrophobicContact CE-CZ 4.34Å; V541-F553 HydrophobicContact CB-CD2 3.98Å; V541-F553 HydrophobicContact CB-CE2 3.67Å; V541-F553 HydrophobicContact CB-CZ 4.26Å; V541-F553 HydrophobicContact CG1-CD2 4.3Å; V541-F553 HydrophobicContact CG1-CE2 3.52Å; V541-F553 HydrophobicContact CG1-CZ 3.68Å; V541-F553 HydrophobicContact CG2-CE2 4.39Å; V541-F553 PolarHBondContact N-O 3.33Å; V541-F553 PolarHBondContact O-N 3.07Å; F553-A558 HydrophobicContact CD2-CB 4.14Å; F553-A558 HydrophobicContact CE2-CB 4.02Å; F553-P559 HydrophobicContact CD1-CG 4.21Å; F553-P559 HydrophobicContact CG-CG 4.28Å; F553-F562 AromaticContact CE1-CD2 3.69Å; F553-F562 HydrophobicContact CE1-CD2 3.69Å; F553-F562 HydrophobicContact CE1-CE2 4.13Å; F553-F562 HydrophobicContact CE1-CG 4.48Å; F553-F562 HydrophobicContact CZ-CB 4.1Å; F553-F562 AromaticContact CZ-CD2 3.84Å; F553-F562 HydrophobicContact CZ-CD2 3.84Å; F553-F562 HydrophobicContact CZ-CG 4.22Å; F553-V566 HydrophobicContact CE2-CG2 3.62Å; F553-V566 HydrophobicContact CZ-CG2 4.12Å
554	P	88.6	Confident	76.5	Confident	65 Å²	65	77.4 Å²	77.4	42%	0.422	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	138.8	175.3	-18.7	32.2	0	0	0	111.3	K539 T556 D557 A558	K539-P554 CarbonylContact O-C 3.56Å; K539-P554 WeakPolarHBondContact O-CA 3.33Å; P554-T556 PolarHBondContact O-N 3.48Å; P554-T556 VanDerWaalsContact O-N 3.17Å; P554-D557 HydrophobicContact CB-CB 4.26Å; P554-D557 HydrophobicContact CG-CB 4.42Å; P554-D557 CarbonylContact O-C 3.5Å; P554-D557 VanDerWaalsContact O-C 3.29Å; P554-D557 PolarHBondContact O-N 3.37Å; P554-A558 PolarHBondContact O-N 3.04Å
555	A	82.2	Confident	76.4	Confident	4 Å²	4	77 Å²	77	3%	0.033	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.7	176.5	0	0	0	0	0	112.2	L534 K539 V541 K570	L534-A555 HydrophobicContact CD1-CB 4.05Å; K539-A555 WeakPolarHBondContact O-CB 3.5Å; K539-A555 PolarHBondContact O-N 2.74Å; V541-A555 HydrophobicContact CG2-CB 3.72Å; A555-K570 VanDerWaalsContact O-CE 3.23Å; A555-K570 WeakPolarHBondContact O-CE 3.34Å; A555-K570 PolarHBondContact O-NZ 2.8Å
556	T	80.6	Confident	77.1	Confident	114 Å²	114	76 Å²	76	70%	0.699	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-18.5	177.8	50.1	0	0	0	0	113.5	P554	P554-T556 PolarHBondContact O-N 3.48Å; P554-T556 VanDerWaalsContact O-N 3.17Å
557	D	85.8	Confident	78	Confident	122 Å²	122	70.4 Å²	70.4	65%	0.652	40%	0.404	S	S	*	.	S	Bend	trans	-133.3	59.1	-175.5	-168.4	26.5	0	0	0	109.5	P554	P554-D557 HydrophobicContact CB-CB 4.26Å; P554-D557 HydrophobicContact CG-CB 4.42Å; P554-D557 CarbonylContact O-C 3.5Å; P554-D557 VanDerWaalsContact O-C 3.29Å; P554-D557 PolarHBondContact O-N 3.37Å
558	A	80.9	Confident	79.3	Confident	18 Å²	18	63.4 Å²	63.4	15%	0.149	37%	0.368	C	S	.	.			trans	-77.9	137.1	-179.1	0	0	0	0	0	110.6	F553 P554 V566	F553-A558 HydrophobicContact CD2-CB 4.14Å; F553-A558 HydrophobicContact CE2-CB 4.02Å; P554-A558 PolarHBondContact O-N 3.04Å; A558-V566 HydrophobicContact CB-CB 4.23Å; A558-V566 HydrophobicContact CB-CG1 4.26Å; A558-V566 HydrophobicContact CB-CG2 3.8Å
559	P	82.8	Confident	80.8	Confident	52 Å²	52	60.1 Å²	60.1	34%	0.338	33%	0.334	S	S	.	.			trans	-52.7	143.1	172.9	-26.1	34.1	0	0	0	111.8	F553 Q561 F562 I563	F553-P559 HydrophobicContact CD1-CG 4.21Å; F553-P559 HydrophobicContact CG-CG 4.28Å; P559-Q561 HydrophobicContact CB-CG 4.33Å; P559-Q561 PolarHBondContact O-N 3.43Å; P559-F562 HydrophobicContact CB-CD2 3.97Å; P559-F562 HydrophobicContact CG-CD2 3.99Å; P559-F562 PolarHBondContact O-N 3.28Å; P559-I563 PolarHBondContact O-N 3.19Å
560	E	72.9	Confident	81.6	Confident	181 Å²	181	57.8 Å²	57.8	85%	0.846	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-50.7	-40.3	-172.2	-70.9	-169.4	166.7	0	0	113.5	F562 I563	E560-F562 PolarHBondContact O-N 3.4Å; E560-I563 HydrophobicContact CB-CD1 4.47Å; E560-I563 PolarHBondContact O-N 3.49Å
561	Q	76.5	Confident	81.6	Confident	143 Å²	143	56 Å²	56	67%	0.668	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-63.7	-25.2	178.8	66	-168.4	21.6	0	0	114.1	P559	P559-Q561 HydrophobicContact CB-CG 4.33Å; P559-Q561 PolarHBondContact O-N 3.43Å
562	F	80.9	Confident	81.5	Confident	19 Å²	19	53.9 Å²	53.9	8%	0.083	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-103.1	-5	-176.6	-60.9	-44.9	0	0	0	114	M532 Y543 F553 P559 E560 S564 Q565 V566	M532-F562 HydrophobicContact CE-CB 4.2Å; M532-F562 HydrophobicContact CE-CD1 4.37Å; M532-F562 HydrophobicContact CE-CG 4.39Å; Y543-F562 HydrophobicContact CD1-CE1 4.12Å; Y543-F562 HydrophobicContact CD1-CE2 4.17Å; Y543-F562 AromaticContact CD1-CZ 3.67Å; Y543-F562 HydrophobicContact CD1-CZ 3.67Å; Y543-F562 HydrophobicContact CD2-CD1 4.48Å; Y543-F562 HydrophobicContact CD2-CE1 4.21Å; Y543-F562 AromaticContact CE1-CE1 3.7Å; Y543-F562 HydrophobicContact CE1-CE1 3.7Å; Y543-F562 HydrophobicContact CE1-CE2 4.4Å; Y543-F562 AromaticContact CE1-CZ 3.46Å; Y543-F562 HydrophobicContact CE1-CZ 3.46Å; Y543-F562 VanDerWaalsContact CE1-CZ 3.46Å; Y543-F562 HydrophobicContact CE2-CD1 4.24Å; Y543-F562 AromaticContact CE2-CE1 3.76Å; Y543-F562 HydrophobicContact CE2-CE1 3.76Å; Y543-F562 HydrophobicContact CE2-CZ 4.3Å; Y543-F562 HydrophobicContact CG-CE1 4.35Å; Y543-F562 HydrophobicContact CG-CZ 4.19Å; Y543-F562 AromaticContact CZ-CE1 3.51Å; Y543-F562 AromaticContact CZ-CZ 3.81Å; F553-F562 AromaticContact CE1-CD2 3.69Å; F553-F562 HydrophobicContact CE1-CD2 3.69Å; F553-F562 HydrophobicContact CE1-CE2 4.13Å; F553-F562 HydrophobicContact CE1-CG 4.48Å; F553-F562 HydrophobicContact CZ-CB 4.1Å; F553-F562 AromaticContact CZ-CD2 3.84Å; F553-F562 HydrophobicContact CZ-CD2 3.84Å; F553-F562 HydrophobicContact CZ-CG 4.22Å; P559-F562 HydrophobicContact CB-CD2 3.97Å; P559-F562 HydrophobicContact CG-CD2 3.99Å; P559-F562 PolarHBondContact O-N 3.28Å; E560-F562 PolarHBondContact O-N 3.4Å; F562-S564 PolarHBondContact O-N 2.92Å; F562-S564 VanDerWaalsContact O-N 3.16Å; F562-Q565 PolarHBondContact O-N 3.25Å; F562-Q565 VanDerWaalsContact O-N 3.08Å; F562-V566 HydrophobicContact CB-CG2 4.28Å; F562-V566 WeakPolarHBondContact O-CG2 3.14Å; F562-V566 PolarHBondContact O-N 2.74Å
563	I	75.6	Confident	81.4	Confident	74 Å²	74	50.1 Å²	50.1	38%	0.379	27%	0.27	S	S	.	.	H	α-helix	trans	-51.5	-45	-177.4	-68.7	175.9	0	0	0	111.7	P559 E560 T567	P559-I563 PolarHBondContact O-N 3.19Å; E560-I563 HydrophobicContact CB-CD1 4.47Å; E560-I563 PolarHBondContact O-N 3.49Å; I563-T567 WeakPolarHBondContact O-CB 3.41Å; I563-T567 PolarHBondContact O-N 3.43Å; I563-T567 PolarHBondContact O-OG1 3.49Å
564	S	71.8	Confident	81	Confident	62 Å²	62	52.8 Å²	52.8	43%	0.434	28%	0.283	S	S	.	.	H	α-helix	trans	-63.7	-44.1	-179.2	63.6	0	0	0	0	112.8	F562 T567 V568	F562-S564 PolarHBondContact O-N 2.92Å; F562-S564 VanDerWaalsContact O-N 3.16Å; S564-T567 WeakPolarHBondContact O-CB 3.31Å; S564-T567 PolarHBondContact O-N 3.05Å; S564-V568 WeakPolarHBondContact O-CG2 3.37Å; S564-V568 PolarHBondContact O-N 2.96Å
565	Q	82.3	Confident	80.5	Confident	20 Å²	20	50.2 Å²	50.2	9%	0.093	27%	0.265	C	S	.	.	H	α-helix	trans	-69.7	-43.3	178.8	-71.8	177.1	-67.6	0	0	111.7	F526 M532 F562 T567 V568 L569	F526-Q565 HydrophobicContact CD1-CG 4.12Å; F526-Q565 HydrophobicContact CD2-CG 4.44Å; F526-Q565 HydrophobicContact CE1-CB 3.92Å; F526-Q565 HydrophobicContact CE1-CG 3.86Å; F526-Q565 HydrophobicContact CE2-CB 3.94Å; F526-Q565 HydrophobicContact CE2-CG 4.19Å; F526-Q565 HydrophobicContact CG-CG 4.42Å; F526-Q565 HydrophobicContact CZ-CB 3.55Å; F526-Q565 HydrophobicContact CZ-CG 3.92Å; F526-Q565 WeakPolarHBondContact CZ-O 3.48Å; M532-Q565 HydrophobicContact CE-CB 3.54Å; M532-Q565 HydrophobicContact SD-CB 4.26Å; F562-Q565 PolarHBondContact O-N 3.25Å; F562-Q565 VanDerWaalsContact O-N 3.08Å; Q565-T567 PolarHBondContact O-N 3.03Å; Q565-V568 PolarHBondContact O-N 3.34Å; Q565-V568 VanDerWaalsContact O-N 3.17Å; Q565-L569 WeakPolarHBondContact O-CB 3.29Å; Q565-L569 PolarHBondContact O-N 3.43Å
566	V	80.6	Confident	80.6	Confident	4 Å²	4	50 Å²	50	2%	0.024	26%	0.263	C	S	.	.	H	α-helix	trans	-60.6	-36.6	175.3	173.3	0	0	0	0	111.3	M532 V541 F553 A558 F562 L569 K570	M532-V566 HydrophobicContact CE-CG2 4.15Å; M532-V566 HydrophobicContact SD-CB 4.44Å; M532-V566 HydrophobicContact SD-CG2 3.6Å; V541-V566 HydrophobicContact CG1-CG2 4.4Å; V541-V566 HydrophobicContact CG2-CG1 4.42Å; F553-V566 HydrophobicContact CE2-CG2 3.62Å; F553-V566 HydrophobicContact CZ-CG2 4.12Å; A558-V566 HydrophobicContact CB-CB 4.23Å; A558-V566 HydrophobicContact CB-CG1 4.26Å; A558-V566 HydrophobicContact CB-CG2 3.8Å; F562-V566 HydrophobicContact CB-CG2 4.28Å; F562-V566 WeakPolarHBondContact O-CG2 3.14Å; F562-V566 PolarHBondContact O-N 2.74Å; V566-L569 WeakPolarHBondContact O-CB 3.46Å; V566-L569 PolarHBondContact O-N 3Å; V566-K570 HydrophobicContact CG1-CD 4.4Å; V566-K570 HydrophobicContact CG1-CG 4.49Å; V566-K570 WeakPolarHBondContact O-CG 3.39Å; V566-K570 PolarHBondContact O-N 2.79Å
567	T	77.3	Confident	80.7	Confident	34 Å²	34	50.1 Å²	50.1	21%	0.209	26%	0.256	C	S	.	.	H	α-helix	trans	-65.4	-43.4	176.8	-59.7	0	0	0	0	111.8	L368 I563 S564 Q565 Y571	L368-T567 HydrophobicContact CD1-CG2 3.25Å; L368-T567 HydrophobicContact CD2-CG2 4.02Å; L368-T567 HydrophobicContact CG-CG2 4.23Å; I563-T567 WeakPolarHBondContact O-CB 3.41Å; I563-T567 PolarHBondContact O-N 3.43Å; I563-T567 PolarHBondContact O-OG1 3.49Å; S564-T567 WeakPolarHBondContact O-CB 3.31Å; S564-T567 PolarHBondContact O-N 3.05Å; Q565-T567 PolarHBondContact O-N 3.03Å; T567-Y571 WeakPolarHBondContact O-CB 3.32Å; T567-Y571 PolarHBondContact O-N 2.79Å
568	V	80.4	Confident	80.3	Confident	15 Å²	15	50.1 Å²	50.1	9%	0.091	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-44.2	173.2	172	0	0	0	0	111	Y511 F526 S564 Q565 Y571 F572	Y511-V568 HydrophobicContact CD1-CG2 3.7Å; Y511-V568 HydrophobicContact CE1-CG2 4.04Å; Y511-V568 HydrophobicContact CG-CG1 4.27Å; Y511-V568 HydrophobicContact CG-CG2 4.09Å; F526-V568 HydrophobicContact CE1-CB 4.01Å; F526-V568 HydrophobicContact CE1-CG1 3.92Å; F526-V568 HydrophobicContact CZ-CB 4.44Å; F526-V568 HydrophobicContact CZ-CG1 4.48Å; S564-V568 WeakPolarHBondContact O-CG2 3.37Å; S564-V568 PolarHBondContact O-N 2.96Å; Q565-V568 PolarHBondContact O-N 3.34Å; Q565-V568 VanDerWaalsContact O-N 3.17Å; V568-Y571 WeakPolarHBondContact O-CB 3.47Å; V568-Y571 PolarHBondContact O-N 3.05Å; V568-F572 HydrophobicContact CG1-CD1 4.11Å; V568-F572 HydrophobicContact CG1-CE1 3.77Å; V568-F572 HydrophobicContact CG1-CE2 4.31Å; V568-F572 HydrophobicContact CG1-CZ 3.87Å; V568-F572 PolarHBondContact O-N 3.23Å
569	L	85.8	Confident	79.8	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.2	-50.5	178.8	171.2	64.3	0	0	0	112.2	V522 V524 M532 L534 V541 Q565 V566 Y571 F572 S573	V522-L569 HydrophobicContact CG1-CD1 4.06Å; V522-L569 WeakPolarHBondContact O-CD1 3.5Å; V524-L569 HydrophobicContact CG2-CB 4.31Å; V524-L569 HydrophobicContact CG2-CD1 3.72Å; M532-L569 HydrophobicContact CB-CD2 4.22Å; M532-L569 HydrophobicContact CG-CD2 3.7Å; M532-L569 HydrophobicContact SD-CD2 3.73Å; L534-L569 HydrophobicContact CB-CD1 3.95Å; L534-L569 HydrophobicContact CB-CD2 3.88Å; L534-L569 HydrophobicContact CB-CG 3.84Å; V541-L569 HydrophobicContact CG1-CD2 3.97Å; V541-L569 HydrophobicContact CG2-CD2 4.16Å; Q565-L569 WeakPolarHBondContact O-CB 3.29Å; Q565-L569 PolarHBondContact O-N 3.43Å; V566-L569 WeakPolarHBondContact O-CB 3.46Å; V566-L569 PolarHBondContact O-N 3Å; L569-Y571 VanDerWaalsContact C-N 3.27Å; L569-Y571 PolarHBondContact O-N 3.43Å; L569-F572 PolarHBondContact O-N 3.32Å; L569-S573 PolarHBondContact O-N 3.24Å
570	K	82.5	Confident	79.5	Confident	84 Å²	84	52.6 Å²	52.6	37%	0.365	26%	0.259	S	S	.	.	H	α-helix	trans	-58.9	-41.9	175.5	-75.1	-179.1	-179.5	179.3	0	111.7	A555 V566 S573 H574	A555-K570 VanDerWaalsContact O-CE 3.23Å; A555-K570 WeakPolarHBondContact O-CE 3.34Å; A555-K570 PolarHBondContact O-NZ 2.8Å; V566-K570 HydrophobicContact CG1-CD 4.4Å; V566-K570 HydrophobicContact CG1-CG 4.49Å; V566-K570 WeakPolarHBondContact O-CG 3.39Å; V566-K570 PolarHBondContact O-N 2.79Å; K570-S573 WeakPolarHBondContact O-CB 3.47Å; K570-S573 PolarHBondContact O-N 3.27Å; K570-H574 PolarHBondContact O-N 3.35Å
571	Y	79.8	Confident	79.9	Confident	19 Å²	19	50.9 Å²	50.9	8%	0.075	25%	0.253	C	S	.	.	H	α-helix	trans	-61.5	-50.7	177.6	-178.5	-69.4	0	0	0	111	A357 F360 F361 A364 T567 V568 L569 S573 H574 Y575	A357-Y571 PolarHBondContact O-OH 3.41Å; F360-Y571 VanDerWaalsContact C-OH 3.25Å; F360-Y571 VanDerWaalsContact CB-OH 3.3Å; F360-Y571 WeakPolarHBondContact CB-OH 3.46Å; F360-Y571 HydrophobicContact CD1-CD2 4.19Å; F360-Y571 AromaticContact CD1-CE1 3.98Å; F360-Y571 HydrophobicContact CD1-CE1 3.98Å; F360-Y571 AromaticContact CD1-CE2 3.21Å; F360-Y571 HydrophobicContact CD1-CE2 3.21Å; F360-Y571 AromaticContact CD1-CZ 3.12Å; F360-Y571 WeakPolarHBondContact CD1-OH 3.24Å; F360-Y571 AromaticContact CE1-CD2 3.85Å; F360-Y571 HydrophobicContact CE1-CD2 3.85Å; F360-Y571 HydrophobicContact CE1-CE1 4.33Å; F360-Y571 AromaticContact CE1-CE2 3.31Å; F360-Y571 HydrophobicContact CE1-CE2 3.31Å; F360-Y571 AromaticContact CE1-CZ 3.63Å; F360-Y571 HydrophobicContact CG-CE2 4.05Å; F360-Y571 WeakPolarHBondContact CG-OH 3.3Å; F360-Y571 HydrophobicContact CZ-CE2 4.32Å; F361-Y571 VanDerWaalsContact CA-OH 3.3Å; F361-Y571 WeakPolarHBondContact CA-OH 3.29Å; F361-Y571 HydrophobicContact CB-CE2 4.37Å; F361-Y571 AromaticContact CD1-CD1 3.64Å; F361-Y571 HydrophobicContact CD1-CD1 3.64Å; F361-Y571 HydrophobicContact CD1-CD2 4.01Å; F361-Y571 AromaticContact CD1-CE1 3.35Å; F361-Y571 HydrophobicContact CD1-CE1 3.35Å; F361-Y571 AromaticContact CD1-CE2 3.63Å; F361-Y571 HydrophobicContact CD1-CE2 3.63Å; F361-Y571 AromaticContact CD1-CG 3.98Å; F361-Y571 HydrophobicContact CD1-CG 3.98Å; F361-Y571 AromaticContact CD1-CZ 3.24Å; F361-Y571 AromaticContact CD2-CE1 3.55Å; F361-Y571 HydrophobicContact CD2-CE1 3.55Å; F361-Y571 AromaticContact CD2-CZ 3.47Å; F361-Y571 VanDerWaalsContact CD2-CZ 3.47Å; F361-Y571 WeakPolarHBondContact CD2-OH 2.94Å; F361-Y571 AromaticContact CE1-CD1 2.99Å; F361-Y571 HydrophobicContact CE1-CD1 2.99Å; F361-Y571 HydrophobicContact CE1-CD2 4.15Å; F361-Y571 AromaticContact CE1-CE1 2.98Å; F361-Y571 HydrophobicContact CE1-CE1 2.98Å; F361-Y571 HydrophobicContact CE1-CE2 4.05Å; F361-Y571 AromaticContact CE1-CG 3.63Å; F361-Y571 HydrophobicContact CE1-CG 3.63Å; F361-Y571 AromaticContact CE1-CZ 3.47Å; F361-Y571 VanDerWaalsContact CE1-CZ 3.47Å; F361-Y571 AromaticContact CE2-CD1 3.96Å; F361-Y571 HydrophobicContact CE2-CD1 3.96Å; F361-Y571 AromaticContact CE2-CE1 3.15Å; F361-Y571 HydrophobicContact CE2-CE1 3.15Å; F361-Y571 AromaticContact CE2-CZ 3.62Å; F361-Y571 WeakPolarHBondContact CE2-OH 3.32Å; F361-Y571 HydrophobicContact CG-CD1 4.37Å; F361-Y571 AromaticContact CG-CE1 3.63Å; F361-Y571 HydrophobicContact CG-CE1 3.63Å; F361-Y571 AromaticContact CG-CE2 3.91Å; F361-Y571 HydrophobicContact CG-CE2 3.91Å; F361-Y571 AromaticContact CG-CZ 3.26Å; F361-Y571 WeakPolarHBondContact CG-OH 3.5Å; F361-Y571 AromaticContact CZ-CD1 3.18Å; F361-Y571 HydrophobicContact CZ-CD1 3.18Å; F361-Y571 AromaticContact CZ-CE1 2.86Å; F361-Y571 HydrophobicContact CZ-CE1 2.86Å; F361-Y571 HydrophobicContact CZ-CG 4.25Å; F361-Y571 AromaticContact CZ-CZ 3.64Å; F361-Y571 PolarHBondContact N-OH 2.92Å; A364-Y571 HydrophobicContact CB-CD2 3.82Å; A364-Y571 HydrophobicContact CB-CE2 3.72Å; T567-Y571 WeakPolarHBondContact O-CB 3.32Å; T567-Y571 PolarHBondContact O-N 2.79Å; V568-Y571 WeakPolarHBondContact O-CB 3.47Å; V568-Y571 PolarHBondContact O-N 3.05Å; L569-Y571 VanDerWaalsContact C-N 3.27Å; L569-Y571 PolarHBondContact O-N 3.43Å; Y571-S573 PolarHBondContact O-N 2.84Å; Y571-H574 PolarHBondContact O-N 3.42Å; Y571-Y575 HydrophobicContact CE1-CG 4.41Å; Y571-Y575 WeakPolarHBondContact O-CB 3.48Å; Y571-Y575 PolarHBondContact O-N 2.93Å
572	F	84.1	Confident	80.1	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-40.8	-179.6	-81.4	18.1	0	0	0	110.3	F361 Y507 G514 V524 V568 L569 Y575 M576	F361-F572 HydrophobicContact CE1-CD1 4.05Å; F361-F572 AromaticContact CE1-CE1 3.78Å; F361-F572 HydrophobicContact CE1-CE1 3.78Å; F361-F572 AromaticContact CZ-CD1 3.68Å; F361-F572 HydrophobicContact CZ-CD1 3.68Å; F361-F572 AromaticContact CZ-CE1 3.44Å; F361-F572 HydrophobicContact CZ-CE1 3.44Å; F361-F572 VanDerWaalsContact CZ-CE1 3.44Å; Y507-F572 HydrophobicContact CD2-CE1 4.35Å; Y507-F572 HydrophobicContact CD2-CZ 4.43Å; Y507-F572 HydrophobicContact CG-CE1 4.4Å; Y507-F572 HydrophobicContact CG-CZ 4.33Å; G514-F572 VanDerWaalsContact CA-CD2 3.43Å; V524-F572 HydrophobicContact CB-CD2 4.49Å; V524-F572 HydrophobicContact CG1-CD2 4.24Å; V524-F572 HydrophobicContact CG1-CE2 3.92Å; V524-F572 HydrophobicContact CG2-CB 4.37Å; V524-F572 HydrophobicContact CG2-CD2 3.48Å; V524-F572 VanDerWaalsContact CG2-CD2 3.48Å; V524-F572 HydrophobicContact CG2-CE2 4.04Å; V524-F572 HydrophobicContact CG2-CG 4.23Å; V568-F572 HydrophobicContact CG1-CD1 4.11Å; V568-F572 HydrophobicContact CG1-CE1 3.77Å; V568-F572 HydrophobicContact CG1-CE2 4.31Å; V568-F572 HydrophobicContact CG1-CZ 3.87Å; V568-F572 PolarHBondContact O-N 3.23Å; L569-F572 PolarHBondContact O-N 3.32Å; F572-Y575 PolarHBondContact O-N 2.77Å; F572-M576 HydrophobicContact CB-CE 4.18Å; F572-M576 WeakPolarHBondContact O-CB 3.3Å; F572-M576 WeakPolarHBondContact O-CE 3.46Å; F572-M576 WeakPolarHBondContact O-CG 2.95Å; F572-M576 PolarHBondContact O-N 2.9Å
573	S	87	Confident	79.6	Confident	5 Å²	5	46.9 Å²	46.9	4%	0.035	24%	0.239	C	C	.	.	H	α-helix	trans	-56.4	-54.3	174.4	-178.3	0	0	0	0	111.7	K538 L569 K570 Y571 Y575 M576 E577	K538-S573 PolarHBondContact NZ-OG 3.41Å; K538-S573 VanDerWaalsContact NZ-OG 3.08Å; L569-S573 PolarHBondContact O-N 3.24Å; K570-S573 WeakPolarHBondContact O-CB 3.47Å; K570-S573 PolarHBondContact O-N 3.27Å; Y571-S573 PolarHBondContact O-N 2.84Å; S573-Y575 PolarHBondContact O-N 2.89Å; S573-M576 PolarHBondContact O-N 2.87Å; S573-E577 WeakPolarHBondContact O-CB 3Å; S573-E577 PolarHBondContact O-N 2.86Å; S573-E577 VanDerWaalsContact O-N 3.08Å
574	H	82.1	Confident	79.7	Confident	74 Å²	74	44.3 Å²	44.3	34%	0.343	23%	0.23	S	C	.	.	H	α-helix	trans	-64	-41.5	-177.5	-175.3	68.9	0	0	0	112.1	F360 K570 Y571 E577 E578	F360-H574 AromaticContact CE1-CD2 3.65Å; F360-H574 AromaticContact CZ-CD2 3.46Å; F360-H574 VanDerWaalsContact CZ-CD2 3.46Å; F360-H574 WeakPolarHBondContact CZ-CD2 3.45Å; F360-H574 AromaticContact CZ-NE2 3.81Å; K570-H574 PolarHBondContact O-N 3.35Å; Y571-H574 PolarHBondContact O-N 3.42Å; H574-E577 PolarHBondContact O-N 3.4Å; H574-E578 IonicContact CD2-OE2 3.9Å; H574-E578 IonicContact CE1-OE1 2.98Å; H574-E578 PolarHBondContact CE1-OE1 3.33Å; H574-E578 IonicContact CE1-OE2 3.8Å; H574-E578 IonicContact ND1-OE1 3.95Å; H574-E578 VanDerWaalsContact NE2-CD 3.3Å; H574-E578 IonicContact NE2-OE1 3.27Å; H574-E578 PolarHBondContact NE2-OE1 3.41Å; H574-E578 IonicContact NE2-OE2 3.35Å; H574-E578 PolarHBondContact NE2-OE2 2.9Å; H574-E578 PolarHBondContact O-N 3.27Å
575	Y	79.3	Confident	79.9	Confident	11 Å²	11	45.8 Å²	45.8	4%	0.043	23%	0.233	C	C	.	.	H	α-helix	trans	-61.7	-47.7	177.9	173.9	-99.6	0	0	0	112.5	S355 A357 V505 Y571 F572 S573 E577 E578 N579 L580	S355-Y575 PolarHBondContact OG-OH 2.75Å; A357-Y575 HydrophobicContact CB-CD1 4.15Å; A357-Y575 HydrophobicContact CB-CD2 3.44Å; A357-Y575 VanDerWaalsContact CB-CD2 3.44Å; A357-Y575 HydrophobicContact CB-CE1 3.81Å; A357-Y575 HydrophobicContact CB-CE2 3.09Å; A357-Y575 HydrophobicContact CB-CG 3.97Å; V505-Y575 HydrophobicContact CG1-CD1 4.46Å; V505-Y575 HydrophobicContact CG1-CE1 4.18Å; V505-Y575 HydrophobicContact CG2-CD1 3.8Å; V505-Y575 HydrophobicContact CG2-CE1 3.82Å; Y571-Y575 HydrophobicContact CE1-CG 4.41Å; Y571-Y575 WeakPolarHBondContact O-CB 3.48Å; Y571-Y575 PolarHBondContact O-N 2.93Å; F572-Y575 PolarHBondContact O-N 2.77Å; S573-Y575 PolarHBondContact O-N 2.89Å; Y575-E577 VanDerWaalsContact C-N 3.28Å; Y575-E577 PolarHBondContact O-N 2.67Å; Y575-E578 PolarHBondContact O-N 3.08Å; Y575-N579 HydrophobicContact CD2-CB 4Å; Y575-N579 WeakPolarHBondContact CD2-ND2 3.3Å; Y575-N579 HydrophobicContact CE2-CB 3.48Å; Y575-N579 VanDerWaalsContact CE2-CB 3.48Å; Y575-N579 VanDerWaalsContact CE2-CG 3.45Å; Y575-N579 VanDerWaalsContact O-CB 3.29Å; Y575-N579 WeakPolarHBondContact O-CB 3.06Å; Y575-N579 PolarHBondContact O-N 3Å; Y575-N579 PolarHBondContact O-ND2 2.79Å; Y575-L580 HydrophobicContact CE1-CD1 4.3Å; Y575-L580 HydrophobicContact CE1-CG 4.31Å
576	M	84.8	Confident	79.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.4	-33.3	179.6	-70.5	-170.7	-78.2	0	0	112.3	K503 V505 Q516 V522 F572 S573 L580	K503-M576 HydrophobicContact CB-CB 4.37Å; K503-M576 HydrophobicContact CB-CG 4.45Å; K503-M576 HydrophobicContact CB-SD 4.09Å; K503-M576 HydrophobicContact CD-CB 4.2Å; K503-M576 VanDerWaalsContact CD-O 3.32Å; K503-M576 WeakPolarHBondContact CD-O 3.42Å; K503-M576 PolarHBondContact NZ-O 3.45Å; V505-M576 HydrophobicContact CG2-CG 3.5Å; V505-M576 VanDerWaalsContact CG2-CG 3.5Å; V505-M576 HydrophobicContact CG2-SD 3.88Å; Q516-M576 HydrophobicContact CB-CE 4.13Å; Q516-M576 HydrophobicContact CB-SD 3.98Å; V522-M576 HydrophobicContact CB-CE 4.38Å; V522-M576 HydrophobicContact CG1-CE 3.46Å; V522-M576 VanDerWaalsContact CG1-CE 3.46Å; V522-M576 HydrophobicContact CG2-CE 4.13Å; F572-M576 HydrophobicContact CB-CE 4.18Å; F572-M576 WeakPolarHBondContact O-CB 3.3Å; F572-M576 WeakPolarHBondContact O-CE 3.46Å; F572-M576 WeakPolarHBondContact O-CG 2.95Å; F572-M576 PolarHBondContact O-N 2.9Å; S573-M576 PolarHBondContact O-N 2.87Å; M576-L580 HydrophobicContact CB-CD1 4.31Å; M576-L580 HydrophobicContact CG-CD1 3.89Å; M576-L580 PolarHBondContact O-N 2.91Å
577	E	81.7	Confident	79.1	Confident	116 Å²	116	49.4 Å²	49.4	54%	0.542	26%	0.257	S	S	.	.	H	α-helix	trans	-68.3	-45.9	177	-170.1	164.5	-163.5	0	0	112	S573 H574 Y575	S573-E577 WeakPolarHBondContact O-CB 3Å; S573-E577 PolarHBondContact O-N 2.86Å; S573-E577 VanDerWaalsContact O-N 3.08Å; H574-E577 PolarHBondContact O-N 3.4Å; Y575-E577 VanDerWaalsContact C-N 3.28Å; Y575-E577 PolarHBondContact O-N 2.67Å
578	E	76.4	Confident	78.6	Confident	122 Å²	122	49.8 Å²	49.8	57%	0.57	26%	0.262	S	S	*	.	H	α-helix	trans	-82.3	-29.9	-175.8	-68.8	-166.4	152.9	0	0	114.7	H574 Y575	H574-E578 IonicContact CD2-OE2 3.9Å; H574-E578 IonicContact CE1-OE1 2.98Å; H574-E578 PolarHBondContact CE1-OE1 3.33Å; H574-E578 IonicContact CE1-OE2 3.8Å; H574-E578 IonicContact ND1-OE1 3.95Å; H574-E578 VanDerWaalsContact NE2-CD 3.3Å; H574-E578 IonicContact NE2-OE1 3.27Å; H574-E578 PolarHBondContact NE2-OE1 3.41Å; H574-E578 IonicContact NE2-OE2 3.35Å; H574-E578 PolarHBondContact NE2-OE2 2.9Å; H574-E578 PolarHBondContact O-N 3.27Å; Y575-E578 PolarHBondContact O-N 3.08Å
579	N	71.2	Confident	77.7	Confident	69 Å²	69	52.2 Å²	52.2	37%	0.369	28%	0.276	S	S	.	.	H	α-helix	trans	-116	-11.6	-163.9	-61.3	-93.5	0	0	0	114.6	Y575	Y575-N579 HydrophobicContact CD2-CB 4Å; Y575-N579 WeakPolarHBondContact CD2-ND2 3.3Å; Y575-N579 HydrophobicContact CE2-CB 3.48Å; Y575-N579 VanDerWaalsContact CE2-CB 3.48Å; Y575-N579 VanDerWaalsContact CE2-CG 3.45Å; Y575-N579 VanDerWaalsContact O-CB 3.29Å; Y575-N579 WeakPolarHBondContact O-CB 3.06Å; Y575-N579 PolarHBondContact O-N 3Å; Y575-N579 PolarHBondContact O-ND2 2.79Å
580	L	77.6	Confident	76.3	Confident	52 Å²	52	57.1 Å²	57.1	27%	0.272	31%	0.306	S	S	.	.			trans	-122.6	143.1	-175	-58.1	-177.8	0	0	0	111	K503 V505 Y575 M576	K503-L580 HydrophobicContact CB-CB 4.48Å; K503-L580 HydrophobicContact CB-CD1 4.16Å; K503-L580 HydrophobicContact CD-CB 3.95Å; K503-L580 VanDerWaalsContact CE-O 3.3Å; K503-L580 WeakPolarHBondContact CE-O 3.35Å; K503-L580 HydrophobicContact CG-CB 4.32Å; K503-L580 PolarHBondContact NZ-O 3.17Å; V505-L580 HydrophobicContact CG2-CD1 4.03Å; Y575-L580 HydrophobicContact CE1-CD1 4.3Å; Y575-L580 HydrophobicContact CE1-CG 4.31Å; M576-L580 HydrophobicContact CB-CD1 4.31Å; M576-L580 HydrophobicContact CG-CD1 3.89Å; M576-L580 PolarHBondContact O-N 2.91Å
581	M	80.4	Confident	75.3	Confident	145 Å²	145	55.8 Å²	55.8	71%	0.714	30%	0.303	S	S	*	.			trans	-91.5	155.7	172.5	-61.6	-175	-68.2	0	0	110.5
582	D	79.7	Confident	74.2	Confident	73 Å²	73	63.1 Å²	63.1	39%	0.39	34%	0.342	S	S	.	.			trans	-66.8	148.5	175.3	-65.9	-48.9	0	0	0	112.2	K503 R647	K503-D582 WeakPolarHBondContact CE-OD1 3.13Å; K503-D582 IonicContact NZ-OD1 2.64Å; D582-R647 PolarHBondContact O-NH1 3.23Å
583	G	71.4	Confident	72.7	Confident	6 Å²	6	73.6 Å²	73.6	6%	0.062	38%	0.381	C	S	.	.	S	Bend	trans	-86.8	4.1	-169.2	0	0	0	0	0	117	T502 K628	T502-G583 PolarHBondContact O-N 2.83Å; G583-K628 WeakPolarHBondContact O-CE 3.41Å; G583-K628 PolarHBondContact O-NZ 2.8Å
584	G	77.7	Confident	71.4	Confident	20 Å²	20	78.3 Å²	78.3	21%	0.206	40%	0.398	C	S	.	.			trans	173.9	174	-170	0	0	0	0	0	112.9
585	D	76.4	Confident	70.3	Confident	93 Å²	93	79.9 Å²	79.9	50%	0.497	42%	0.415	S	S	.	.			trans	-100.5	4.4	-174	65.2	-12.3	0	0	0	115.2	R647 S649	D585-R647 PolarHBondContact N-O 3.4Å; D585-S649 VanDerWaalsContact OD1-CB 3.25Å; D585-S649 WeakPolarHBondContact OD1-CB 3.5Å; D585-S649 PolarHBondContact OD1-N 3.37Å; D585-S649 PolarHBondContact OD1-OG 2.84Å
586	L	78.6	Confident	70.1	Confident	21 Å²	21	83.7 Å²	83.7	11%	0.11	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-72.5	125.3	-173.3	-165.6	76.2	0	0	0	112.7	F498 W500 S649	F498-L586 HydrophobicContact CD1-CD2 4.19Å; F498-L586 HydrophobicContact CE1-CD2 3.52Å; F498-L586 HydrophobicContact CE2-CD2 4.34Å; F498-L586 HydrophobicContact CZ-CD2 3.6Å; W500-L586 HydrophobicContact CZ2-CB 4.21Å; L586-S649 WeakPolarHBondContact CD1-OG 3.14Å
587	P	66.9	Low	70.1	Confident	78 Å²	78	84 Å²	84	51%	0.506	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-73.1	140.3	-179.4	27.1	-32.2	0	0	0	113.3	S497	S497-P587 PolarHBondContact OG-O 2.84Å
588	S	66.1	Low	70.4	Confident	43 Å²	43	81 Å²	81	30%	0.301	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-98.2	152.9	-179.4	-164.5	0	0	0	0	112.7	S518 D519	S518-S588 VanDerWaalsContact C-CB 3.49Å; S518-S588 WeakPolarHBondContact O-CB 3.36Å; S518-S588 PolarHBondContact O-OG 3.3Å; S518-S588 PolarHBondContact OG-OG 3.1Å; D519-S588 PolarHBondContact N-OG 3.28Å
589	V	61.9	Low	71	Confident	65 Å²	65	75.2 Å²	75.2	39%	0.394	39%	0.388	S	S	.	.			trans	-116.1	124.5	171.2	164.6	0	0	0	0	109.2	S497 D591	S497-V589 WeakPolarHBondContact OG-CB 3.42Å; S497-V589 WeakPolarHBondContact OG-CG2 3.49Å; S497-V589 PolarHBondContact OG-N 2.89Å; S497-V589 VanDerWaalsContact OG-N 3.12Å; V589-D591 HydrophobicContact CG1-CB 3.91Å; V589-D591 PolarHBondContact O-N 2.81Å
590	T	55.9	Low	71.7	Confident	104 Å²	104	72.4 Å²	72.4	64%	0.638	37%	0.373	S	S	*	.			trans	-88.3	78.7	166.1	29.8	0	0	0	0	109.7	D519	D519-T590 HydrophobicContact CB-CG2 3.88Å
591	D	62.2	Low	72.2	Confident	56 Å²	56	70.7 Å²	70.7	30%	0.299	36%	0.364	S	S	.	.			trans	-95.4	105.7	168.2	-170.1	-9.3	0	0	0	109.7	V589 R593 R594	V589-D591 HydrophobicContact CG1-CB 3.91Å; V589-D591 PolarHBondContact O-N 2.81Å; D591-R593 PolarHBondContact O-N 3.04Å; D591-R593 VanDerWaalsContact OD1-CB 3.32Å; D591-R593 WeakPolarHBondContact OD1-CB 3.45Å; D591-R593 PolarHBondContact OD1-N 3.43Å; D591-R593 IonicContact OD1-NE 3.68Å; D591-R594 HydrophobicContact CB-CG 4.04Å; D591-R594 PolarHBondContact O-N 2.93Å; D591-R594 VanDerWaalsContact O-N 3.07Å
592	I	56.8	Low	72.7	Confident	172 Å²	172	64 Å²	64	88%	0.882	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-17	-179.6	-56.6	168.6	0	0	0	111.5
593	R	53.2	Low	73	Confident	220 Å²	220	60.7 Å²	60.7	83%	0.83	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-9.2	179.2	-57.1	-174.2	-64	-179.6	1.7	114.4	D591	D591-R593 PolarHBondContact O-N 3.04Å; D591-R593 VanDerWaalsContact OD1-CB 3.32Å; D591-R593 WeakPolarHBondContact OD1-CB 3.45Å; D591-R593 PolarHBondContact OD1-N 3.43Å; D591-R593 IonicContact OD1-NE 3.68Å
594	R	58.7	Low	73.7	Confident	104 Å²	104	63.1 Å²	63.1	39%	0.392	32%	0.322	S	S	.	.	S	Bend	trans	-79.2	146.7	179.1	-75.9	-173.7	176.1	-170.4	-1.1	111.8	S497 D591	S497-R594 PolarHBondContact O-NH1 3Å; D591-R594 HydrophobicContact CB-CG 4.04Å; D591-R594 PolarHBondContact O-N 2.93Å; D591-R594 VanDerWaalsContact O-N 3.07Å
595	P	59.8	Low	74.1	Confident	108 Å²	108	62.2 Å²	62.2	70%	0.701	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-55.7	140.6	170.7	-19.9	31	0	0	0	110.2
596	R	75.3	Confident	74.2	Confident	91 Å²	91	61.3 Å²	61.3	34%	0.343	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-78	134.9	-176.3	-65.1	-163.3	179.8	-175.6	7.7	111.6	H542 N614	H542-R596 PolarHBondContact CD2-NH1 2.96Å; H542-R596 PolarHBondContact CE1-NH1 2.92Å; H542-R596 PolarHBondContact CE1-NH2 3.43Å; H542-R596 VanDerWaalsContact CE1-NH2 3.35Å; H542-R596 PolarHBondContact ND1-NH1 3.1Å; H542-R596 VanDerWaalsContact NE2-CZ 3.27Å; H542-R596 PolarHBondContact NE2-NH1 2.72Å; H542-R596 PolarHBondContact NE2-NH2 3.37Å; R596-N614 PolarHBondContact O-ND2 3.12Å; R596-N614 PolarHBondContact O-OD1 3.12Å
597	L	84.6	Confident	74.5	Confident	7 Å²	7	65.2 Å²	65.2	4%	0.037	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-78.5	123.8	175.4	-157.5	78.8	0	0	0	110.5	Q499 L517 F613 N614 D615	Q499-L597 HydrophobicContact CB-CD2 4.05Å; L517-L597 HydrophobicContact CD1-CB 3.91Å; L517-L597 HydrophobicContact CD1-CD2 4.12Å; L517-L597 HydrophobicContact CD2-CD2 3.77Å; L597-F613 HydrophobicContact CD1-CB 3.68Å; L597-F613 HydrophobicContact CD1-CD1 4.24Å; L597-F613 HydrophobicContact CD1-CG 4.09Å; L597-F613 HydrophobicContact CD2-CB 4.41Å; L597-F613 HydrophobicContact CD2-CD1 3.65Å; L597-F613 HydrophobicContact CD2-CD2 4.38Å; L597-F613 HydrophobicContact CD2-CE1 3.96Å; L597-F613 HydrophobicContact CD2-CG 3.89Å; L597-F613 HydrophobicContact CD2-CZ 4.47Å; L597-F613 HydrophobicContact CG-CB 3.9Å; L597-F613 HydrophobicContact CG-CD1 3.48Å; L597-F613 VanDerWaalsContact CG-CD1 3.48Å; L597-F613 HydrophobicContact CG-CE1 4.2Å; L597-F613 HydrophobicContact CG-CG 3.8Å; L597-N614 WeakPolarHBondContact CA-OD1 3.16Å; L597-D615 HydrophobicContact CD1-CB 4.36Å; L597-D615 WeakPolarHBondContact CD1-OD1 3.27Å; L597-D615 WeakPolarHBondContact CD1-OD2 3.28Å
598	Y	87.3	Confident	75.7	Confident	52 Å²	52	61.5 Å²	61.5	20%	0.204	30%	0.299	C	S	.	.			trans	-138.7	143.6	171	61.8	-92	0	0	0	112.3	L450 Y515 H531 Y544 L600 F613 N614	L450-Y598 HydrophobicContact CD2-CD2 4.48Å; L450-Y598 HydrophobicContact CD2-CE2 4.09Å; Y515-Y598 WeakPolarHBondContact OH-CA 3.24Å; H531-Y598 WeakPolarHBondContact CE1-CB 3.26Å; Y544-Y598 HydrophobicContact CD1-CE1 4.41Å; Y544-Y598 HydrophobicContact CE1-CD1 4.34Å; Y544-Y598 HydrophobicContact CE1-CE1 4.3Å; Y598-L600 HydrophobicContact CD2-CD2 4.16Å; Y598-L600 HydrophobicContact CE2-CD2 3.64Å; Y598-L600 PolarHBondContact O-N 3.47Å; Y598-F613 WeakPolarHBondContact O-CA 3.39Å; Y598-F613 WeakPolarHBondContact O-CD1 3.47Å; Y598-N614 HydrophobicContact CD1-CB 3.97Å; Y598-N614 VanDerWaalsContact CD1-CG 3.43Å; Y598-N614 WeakPolarHBondContact CD1-ND2 3.33Å; Y598-N614 HydrophobicContact CD2-CB 4.01Å; Y598-N614 HydrophobicContact CE1-CB 3.57Å; Y598-N614 WeakPolarHBondContact CE1-ND2 3.48Å; Y598-N614 HydrophobicContact CE2-CB 3.6Å; Y598-N614 HydrophobicContact CG-CB 4.17Å; Y598-N614 PolarHBondContact N-OD1 3.31Å; Y598-N614 PolarHBondContact O-N 3.44Å; Y598-N614 VanDerWaalsContact O-N 3.1Å; Y598-N614 PolarHBondContact O-OD1 3.23Å
599	L	89.9	Confident	77	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	118.1	-174.8	-172.5	70.3	0	0	0	110.4	F513 Y515 L525 Q601 W602 M611 F613	F513-L599 HydrophobicContact CD1-CD2 3.53Å; F513-L599 HydrophobicContact CE1-CD2 3.98Å; Y515-L599 HydrophobicContact CD1-CB 4.2Å; Y515-L599 HydrophobicContact CD1-CD2 3.93Å; Y515-L599 HydrophobicContact CE1-CB 3.43Å; Y515-L599 VanDerWaalsContact CE1-CB 3.43Å; Y515-L599 HydrophobicContact CE1-CD2 3.9Å; Y515-L599 HydrophobicContact CE1-CG 4.29Å; Y515-L599 PolarHBondContact OH-N 3.27Å; L525-L599 HydrophobicContact CB-CD2 4.14Å; L525-L599 HydrophobicContact CD2-CD2 4.22Å; L525-L599 HydrophobicContact CD2-CG 4.44Å; L599-Q601 VanDerWaalsContact CD1-O 3.31Å; L599-Q601 WeakPolarHBondContact CD1-O 3.2Å; L599-W602 HydrophobicContact CD2-CB 4.26Å; L599-W602 HydrophobicContact CD2-CG 4.39Å; L599-M611 HydrophobicContact CD1-CB 3.76Å; L599-M611 HydrophobicContact CD1-CG 4.14Å; L599-F613 HydrophobicContact CB-CD1 4.26Å; L599-F613 HydrophobicContact CB-CE1 3.86Å; L599-F613 HydrophobicContact CB-CZ 4.38Å; L599-F613 HydrophobicContact CD1-CD1 4.4Å; L599-F613 HydrophobicContact CD1-CD2 4.41Å; L599-F613 HydrophobicContact CD1-CE1 3.93Å; L599-F613 HydrophobicContact CD1-CE2 3.92Å; L599-F613 HydrophobicContact CD1-CZ 3.64Å
600	L	86.2	Confident	78.5	Confident	11 Å²	11	56.5 Å²	56.5	6%	0.058	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-43.8	172.1	-66.9	-177.1	0	0	0	111.2	T449 L450 M465 Y598 L612 N614	T449-L600 CarbonylContact C-O 3.54Å; L450-L600 WeakPolarHBondContact CB-O 3.39Å; L450-L600 HydrophobicContact CD2-CD2 4.03Å; L450-L600 PolarHBondContact N-O 3.35Å; M465-L600 HydrophobicContact CE-CB 4.26Å; M465-L600 HydrophobicContact CG-CB 4.42Å; M465-L600 HydrophobicContact CG-CD1 4.3Å; Y598-L600 HydrophobicContact CD2-CD2 4.16Å; Y598-L600 HydrophobicContact CE2-CD2 3.64Å; Y598-L600 PolarHBondContact O-N 3.47Å; L600-L612 WeakPolarHBondContact CB-O 3.39Å; L600-L612 PolarHBondContact N-O 3.11Å; L600-N614 HydrophobicContact CD1-CB 4.47Å; L600-N614 HydrophobicContact CD2-CB 4.18Å; L600-N614 HydrophobicContact CG-CB 4.22Å
601	Q	87.2	Confident	80.4	Confident	15 Å²	15	51.5 Å²	51.5	7%	0.07	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	146.4	-173.1	-168.6	177.1	30.1	0	0	111.1	G448 M465 L599 L603 M611 L612	G448-Q601 WeakPolarHBondContact O-CA 3.32Å; M465-Q601 HydrophobicContact SD-CB 4.42Å; L599-Q601 VanDerWaalsContact CD1-O 3.31Å; L599-Q601 WeakPolarHBondContact CD1-O 3.2Å; Q601-L603 HydrophobicContact CG-CG 4.45Å; Q601-M611 WeakPolarHBondContact O-CA 3.07Å; Q601-L612 HydrophobicContact CB-CB 4.37Å; Q601-L612 PolarHBondContact N-O 3.11Å; Q601-L612 VanDerWaalsContact N-O 3.17Å; Q601-L612 PolarHBondContact O-N 3.18Å
602	W	90.7	Very high	81.8	Confident	4 Å²	4	48.9 Å²	48.9	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	147.3	163.8	65.2	-83.3	0	0	0	110.9	V446 G448 S508 F513 L599 K604 L609 M610 M611	V446-W602 HydrophobicContact CB-CH2 3.82Å; V446-W602 HydrophobicContact CB-CZ3 3.93Å; V446-W602 HydrophobicContact CG1-CH2 3.38Å; V446-W602 HydrophobicContact CG1-CZ2 4.18Å; V446-W602 HydrophobicContact CG1-CZ3 4.01Å; G448-W602 PolarHBondContact N-O 3.27Å; G448-W602 PolarHBondContact O-N 2.98Å; S508-W602 VanDerWaalsContact CB-CZ2 3.49Å; F513-W602 HydrophobicContact CB-CD2 4.25Å; F513-W602 HydrophobicContact CB-CG 4.3Å; F513-W602 HydrophobicContact CB-CZ2 4.13Å; F513-W602 VanDerWaalsContact CB-NE1 3.27Å; F513-W602 HydrophobicContact CD1-CG 4.18Å; F513-W602 AromaticContact CD2-CD2 3.71Å; F513-W602 HydrophobicContact CD2-CD2 3.71Å; F513-W602 AromaticContact CD2-CE2 3.81Å; F513-W602 HydrophobicContact CD2-CE3 4.02Å; F513-W602 HydrophobicContact CD2-CG 4.08Å; F513-W602 HydrophobicContact CD2-CH2 4.41Å; F513-W602 HydrophobicContact CD2-CZ2 4.2Å; F513-W602 HydrophobicContact CD2-CZ3 4.35Å; F513-W602 HydrophobicContact CE2-CD2 4.25Å; F513-W602 HydrophobicContact CE2-CE3 4.28Å; F513-W602 AromaticContact CG-CD1 3.77Å; F513-W602 AromaticContact CG-CD2 3.95Å; F513-W602 HydrophobicContact CG-CD2 3.95Å; F513-W602 AromaticContact CG-CE2 3.85Å; F513-W602 AromaticContact CG-CG 3.92Å; F513-W602 HydrophobicContact CG-CG 3.92Å; F513-W602 AromaticContact CG-NE1 3.72Å; L599-W602 HydrophobicContact CD2-CB 4.26Å; L599-W602 HydrophobicContact CD2-CG 4.39Å; W602-K604 HydrophobicContact CE3-CB 4.46Å; W602-K604 HydrophobicContact CZ3-CB 4.03Å; W602-L609 HydrophobicContact CE3-CD1 3.9Å; W602-M610 CarbonylContact C-O 3.54Å; W602-M610 WeakPolarHBondContact CA-O 3.13Å; W602-M610 WeakPolarHBondContact CB-O 3.37Å; W602-M611 HydrophobicContact CB-CG 4.18Å
603	L	87.1	Confident	83.4	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	133.4	-178.3	-65.4	177.5	0	0	0	110.3	M444 R447 Q601 L609 M610 M676 R680	M444-L603 HydrophobicContact CE-CB 3.63Å; M444-L603 HydrophobicContact CE-CD1 3.82Å; M444-L603 HydrophobicContact CE-CD2 4.11Å; M444-L603 HydrophobicContact CE-CG 4.07Å; R447-L603 HydrophobicContact CB-CD2 3.41Å; R447-L603 VanDerWaalsContact CB-CD2 3.41Å; Q601-L603 HydrophobicContact CG-CG 4.45Å; L603-L609 CarbonylContact O-C 3.48Å; L603-M610 HydrophobicContact CB-CB 4.28Å; L603-M610 HydrophobicContact CB-SD 4.02Å; L603-M610 HydrophobicContact CD1-CE 3.58Å; L603-M610 HydrophobicContact CD1-SD 3.81Å; L603-M610 HydrophobicContact CG-CE 4.39Å; L603-M610 HydrophobicContact CG-SD 3.97Å; L603-M610 PolarHBondContact N-O 3.03Å; L603-M610 PolarHBondContact O-N 3.02Å; L603-M676 HydrophobicContact CB-CE 4.26Å; L603-R680 HydrophobicContact CD1-CB 3.81Å
604	K	84.9	Confident	84.9	Confident	58 Å²	58	31.9 Å²	31.9	25%	0.252	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.6	178.1	-179.6	166.3	-172.7	-178.2	0	110.3	I445 V446 D506 W602 L609 Y623	I445-K604 HydrophobicContact CB-CG 4.26Å; I445-K604 PolarHBondContact N-O 3.02Å; V446-K604 HydrophobicContact CB-CB 4.37Å; V446-K604 PolarHBondContact N-O 3.21Å; V446-K604 PolarHBondContact O-N 3.43Å; D506-K604 IonicContact OD2-NZ 2.69Å; W602-K604 HydrophobicContact CE3-CB 4.46Å; W602-K604 HydrophobicContact CZ3-CB 4.03Å; K604-L609 HydrophobicContact CB-CD1 4.45Å; K604-Y623 WeakPolarHBondContact CG-OH 3.48Å
605	S	85.6	Confident	86.2	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-179.2	165.7	62	0	0	0	0	110.2	R443 I445 K607 A608 Y623 Y672	R443-S605 WeakPolarHBondContact O-CA 3.23Å; I445-S605 VanDerWaalsContact CD1-C 3.47Å; I445-S605 WeakPolarHBondContact CD1-O 3.41Å; S605-K607 VanDerWaalsContact C-N 3.27Å; S605-K607 PolarHBondContact OG-N 3.35Å; S605-A608 PolarHBondContact N-O 3.46Å; S605-A608 PolarHBondContact OG-N 3.08Å; S605-A608 PolarHBondContact OG-O 3.46Å; S605-Y623 WeakPolarHBondContact O-CE2 3.4Å; S605-Y672 WeakPolarHBondContact CB-OH 3.36Å; S605-Y672 PolarHBondContact OG-OH 2.94Å
606	D	79.8	Confident	87.4	Confident	75 Å²	75	26.1 Å²	26.1	40%	0.401	12%	0.123	S	C	.	.	S	Bend	trans	-67.6	-25.6	170.1	60.4	-24.5	0	0	0	113.4	I445	I445-D606 HydrophobicContact CD1-CB 4.01Å
607	K	84.1	Confident	88.2	Confident	102 Å²	102	21.9 Å²	21.9	44%	0.443	11%	0.108	S	C	.	.	S	Bend	trans	-104.1	-27.7	-177.3	-58.9	176.2	-179.8	178.7	0	115.1	S605 Y623 Y672	S605-K607 VanDerWaalsContact C-N 3.27Å; S605-K607 PolarHBondContact OG-N 3.35Å; K607-Y623 VanDerWaalsContact O-CD2 3.31Å; K607-Y623 WeakPolarHBondContact O-CD2 3.06Å; K607-Y623 PolarHBondContact O-N 3.39Å; K607-Y672 HydrophobicContact CB-CE2 4.46Å; K607-Y672 HydrophobicContact CD-CE2 3.9Å
608	A	91.9	Very high	88.6	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	161.6	-173.6	0	0	0	0	0	114.7	S605 V620 N621 F622 Y623 Y672 M676	S605-A608 PolarHBondContact N-O 3.46Å; S605-A608 PolarHBondContact OG-N 3.08Å; S605-A608 PolarHBondContact OG-O 3.46Å; A608-V620 HydrophobicContact CB-CG1 3.78Å; A608-N621 CarbonylContact C-O 3.59Å; A608-N621 VanDerWaalsContact CA-O 3.23Å; A608-N621 WeakPolarHBondContact CA-O 3.35Å; A608-N621 WeakPolarHBondContact CB-O 3.45Å; A608-F622 HydrophobicContact CB-CD1 3.8Å; A608-F622 HydrophobicContact CB-CE1 4.1Å; A608-F622 HydrophobicContact CB-CG 4.26Å; A608-Y623 VanDerWaalsContact C-CE2 3.44Å; A608-Y672 HydrophobicContact CB-CD1 4.45Å; A608-Y672 HydrophobicContact CB-CE1 3.81Å; A608-M676 HydrophobicContact CB-SD 4.08Å
609	L	93.9	Very high	89	Confident	3 Å²	3	19.1 Å²	19.1	2%	0.016	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.3	166.9	176.8	68.7	0	0	0	109.5	W504 F513 W602 L603 K604 M611 V620 N621 Y623	W504-L609 HydrophobicContact CG-CD2 4.02Å; W504-L609 VanDerWaalsContact NE1-CD2 3.32Å; F513-L609 HydrophobicContact CE2-CD1 4.19Å; F513-L609 HydrophobicContact CE2-CD2 4.11Å; F513-L609 HydrophobicContact CZ-CD1 4.39Å; F513-L609 HydrophobicContact CZ-CD2 3.77Å; W602-L609 HydrophobicContact CE3-CD1 3.9Å; L603-L609 CarbonylContact O-C 3.48Å; K604-L609 HydrophobicContact CB-CD1 4.45Å; L609-M611 HydrophobicContact CD2-CE 4.2Å; L609-M611 HydrophobicContact CD2-CG 4.37Å; L609-M611 HydrophobicContact CD2-SD 4.05Å; L609-M611 HydrophobicContact CG-CG 4.29Å; L609-V620 CarbonylContact O-C 3.53Å; L609-V620 VanDerWaalsContact O-CA 3.27Å; L609-V620 WeakPolarHBondContact O-CA 3.05Å; L609-N621 HydrophobicContact CB-CB 4.43Å; L609-N621 PolarHBondContact N-O 3.27Å; L609-N621 PolarHBondContact O-N 3.37Å; L609-Y623 HydrophobicContact CB-CE1 4.15Å; L609-Y623 WeakPolarHBondContact CB-OH 3.48Å; L609-Y623 PolarHBondContact N-OH 2.88Å
610	M	94.1	Very high	89.4	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	140.7	174.7	173.5	-96.7	-127.1	0	0	110.3	W602 L603 F618 Q619 V620 M676 L677	W602-M610 CarbonylContact C-O 3.54Å; W602-M610 WeakPolarHBondContact CA-O 3.13Å; W602-M610 WeakPolarHBondContact CB-O 3.37Å; L603-M610 HydrophobicContact CB-CB 4.28Å; L603-M610 HydrophobicContact CB-SD 4.02Å; L603-M610 HydrophobicContact CD1-CE 3.58Å; L603-M610 HydrophobicContact CD1-SD 3.81Å; L603-M610 HydrophobicContact CG-CE 4.39Å; L603-M610 HydrophobicContact CG-SD 3.97Å; L603-M610 PolarHBondContact N-O 3.03Å; L603-M610 PolarHBondContact O-N 3.02Å; M610-F618 HydrophobicContact CE-CE2 3.85Å; M610-F618 HydrophobicContact CG-CD2 4.22Å; M610-F618 HydrophobicContact CG-CE2 3.31Å; M610-F618 HydrophobicContact CG-CZ 3.96Å; M610-F618 HydrophobicContact SD-CE2 4.04Å; M610-Q619 CarbonylContact C-O 3.45Å; M610-Q619 WeakPolarHBondContact CA-O 3.38Å; M610-V620 HydrophobicContact CB-CG2 4.19Å; M610-V620 HydrophobicContact CG-CG2 4.17Å; M610-M676 HydrophobicContact CB-CE 3.44Å; M610-M676 VanDerWaalsContact CB-CE 3.44Å; M610-M676 HydrophobicContact CB-SD 3.87Å; M610-L677 HydrophobicContact CE-CD2 3.7Å; M610-L677 HydrophobicContact CE-CG 3.99Å
611	M	94.7	Very high	89.8	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	131.7	-179.2	-66.8	171.1	-69.3	0	0	109.4	V501 F513 L599 Q601 W602 L609 F613 F618 Q619	V501-M611 HydrophobicContact CB-CE 3.99Å; V501-M611 HydrophobicContact CB-SD 4.22Å; V501-M611 HydrophobicContact CG1-CE 4.14Å; V501-M611 HydrophobicContact CG1-SD 4.07Å; V501-M611 HydrophobicContact CG2-CE 4.2Å; V501-M611 HydrophobicContact CG2-SD 3.95Å; F513-M611 HydrophobicContact CE1-SD 4.07Å; F513-M611 HydrophobicContact CZ-SD 4.13Å; L599-M611 HydrophobicContact CD1-CB 3.76Å; L599-M611 HydrophobicContact CD1-CG 4.14Å; Q601-M611 WeakPolarHBondContact O-CA 3.07Å; W602-M611 HydrophobicContact CB-CG 4.18Å; L609-M611 HydrophobicContact CD2-CE 4.2Å; L609-M611 HydrophobicContact CD2-CG 4.37Å; L609-M611 HydrophobicContact CD2-SD 4.05Å; L609-M611 HydrophobicContact CG-CG 4.29Å; M611-F613 HydrophobicContact CB-CE2 3.84Å; M611-F613 HydrophobicContact CB-CZ 4.44Å; M611-F618 WeakPolarHBondContact O-CA 3.5Å; M611-Q619 HydrophobicContact CE-CB 4.2Å; M611-Q619 HydrophobicContact CE-CG 3.77Å; M611-Q619 PolarHBondContact N-O 3.32Å; M611-Q619 PolarHBondContact O-N 2.81Å
612	L	91.9	Very high	90.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	131.8	179.5	-176.8	69	0	0	0	110.3	V468 A469 L600 Q601 F618	V468-L612 HydrophobicContact CG1-CD1 4.18Å; V468-L612 HydrophobicContact CG1-CD2 4.5Å; V468-L612 HydrophobicContact CG1-CG 4.49Å; A469-L612 HydrophobicContact CB-CD2 3.68Å; L600-L612 WeakPolarHBondContact CB-O 3.39Å; L600-L612 PolarHBondContact N-O 3.11Å; Q601-L612 HydrophobicContact CB-CB 4.37Å; Q601-L612 PolarHBondContact N-O 3.11Å; Q601-L612 VanDerWaalsContact N-O 3.17Å; Q601-L612 PolarHBondContact O-N 3.18Å; L612-F618 HydrophobicContact CD1-CB 4.17Å; L612-F618 HydrophobicContact CD1-CD2 4.19Å
613	F	90.4	Very high	89.8	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	165.1	-175.3	-67.4	-92.9	0	0	0	112.6	V501 Y515 L517 L597 Y598 L599 M611 D615 G616 T617	V501-F613 HydrophobicContact CG2-CE1 4.38Å; V501-F613 HydrophobicContact CG2-CE2 3.82Å; V501-F613 HydrophobicContact CG2-CZ 3.33Å; Y515-F613 HydrophobicContact CD2-CE1 4.27Å; Y515-F613 HydrophobicContact CD2-CZ 4.42Å; Y515-F613 AromaticContact CE2-CE1 3.77Å; Y515-F613 HydrophobicContact CE2-CE1 3.77Å; Y515-F613 HydrophobicContact CE2-CZ 4.36Å; Y515-F613 AromaticContact CZ-CE1 3.98Å; L517-F613 HydrophobicContact CD2-CE1 4.34Å; L597-F613 HydrophobicContact CD1-CB 3.68Å; L597-F613 HydrophobicContact CD1-CD1 4.24Å; L597-F613 HydrophobicContact CD1-CG 4.09Å; L597-F613 HydrophobicContact CD2-CB 4.41Å; L597-F613 HydrophobicContact CD2-CD1 3.65Å; L597-F613 HydrophobicContact CD2-CD2 4.38Å; L597-F613 HydrophobicContact CD2-CE1 3.96Å; L597-F613 HydrophobicContact CD2-CG 3.89Å; L597-F613 HydrophobicContact CD2-CZ 4.47Å; L597-F613 HydrophobicContact CG-CB 3.9Å; L597-F613 HydrophobicContact CG-CD1 3.48Å; L597-F613 VanDerWaalsContact CG-CD1 3.48Å; L597-F613 HydrophobicContact CG-CE1 4.2Å; L597-F613 HydrophobicContact CG-CG 3.8Å; Y598-F613 WeakPolarHBondContact O-CA 3.39Å; Y598-F613 WeakPolarHBondContact O-CD1 3.47Å; L599-F613 HydrophobicContact CB-CD1 4.26Å; L599-F613 HydrophobicContact CB-CE1 3.86Å; L599-F613 HydrophobicContact CB-CZ 4.38Å; L599-F613 HydrophobicContact CD1-CD1 4.4Å; L599-F613 HydrophobicContact CD1-CD2 4.41Å; L599-F613 HydrophobicContact CD1-CE1 3.93Å; L599-F613 HydrophobicContact CD1-CE2 3.92Å; L599-F613 HydrophobicContact CD1-CZ 3.64Å; M611-F613 HydrophobicContact CB-CE2 3.84Å; M611-F613 HydrophobicContact CB-CZ 4.44Å; F613-D615 VanDerWaalsContact C-N 3.27Å; F613-D615 PolarHBondContact O-N 3.31Å; F613-G616 PolarHBondContact O-N 2.95Å; F613-G616 VanDerWaalsContact O-N 3.1Å; F613-T617 HydrophobicContact CD2-CG2 4.39Å; F613-T617 PolarHBondContact N-O 2.83Å
614	N	85.5	Confident	89.6	Confident	36 Å²	36	29 Å²	29	19%	0.193	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.7	-173.6	65.5	-58.3	0	0	0	115.8	R596 L597 Y598 L600	R596-N614 PolarHBondContact O-ND2 3.12Å; R596-N614 PolarHBondContact O-OD1 3.12Å; L597-N614 WeakPolarHBondContact CA-OD1 3.16Å; Y598-N614 HydrophobicContact CD1-CB 3.97Å; Y598-N614 VanDerWaalsContact CD1-CG 3.43Å; Y598-N614 WeakPolarHBondContact CD1-ND2 3.33Å; Y598-N614 HydrophobicContact CD2-CB 4.01Å; Y598-N614 HydrophobicContact CE1-CB 3.57Å; Y598-N614 WeakPolarHBondContact CE1-ND2 3.48Å; Y598-N614 HydrophobicContact CE2-CB 3.6Å; Y598-N614 HydrophobicContact CG-CB 4.17Å; Y598-N614 PolarHBondContact N-OD1 3.31Å; Y598-N614 PolarHBondContact O-N 3.44Å; Y598-N614 VanDerWaalsContact O-N 3.1Å; Y598-N614 PolarHBondContact O-OD1 3.23Å; L600-N614 HydrophobicContact CD1-CB 4.47Å; L600-N614 HydrophobicContact CD2-CB 4.18Å; L600-N614 HydrophobicContact CG-CB 4.22Å
615	D	84.7	Confident	89.8	Confident	80 Å²	80	27.4 Å²	27.4	43%	0.428	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	1.9	177.1	71.4	-17.7	0	0	0	112.9	L597 F613 T617	L597-D615 HydrophobicContact CD1-CB 4.36Å; L597-D615 WeakPolarHBondContact CD1-OD1 3.27Å; L597-D615 WeakPolarHBondContact CD1-OD2 3.28Å; F613-D615 VanDerWaalsContact C-N 3.27Å; F613-D615 PolarHBondContact O-N 3.31Å; D615-T617 VanDerWaalsContact CG-OG1 3.28Å; D615-T617 WeakPolarHBondContact OD1-CB 3.23Å; D615-T617 PolarHBondContact OD1-N 3.13Å; D615-T617 PolarHBondContact OD1-OG1 2.93Å; D615-T617 PolarHBondContact OD2-OG1 2.93Å
616	G	85.9	Confident	89.8	Confident	10 Å²	10	33.1 Å²	33.1	10%	0.103	16%	0.16	C	C	.	.	S	Bend	trans	85.4	5.9	-173.6	0	0	0	0	0	114.9	V468 V472 F613 F618	V468-G616 VanDerWaalsContact CG1-CA 3.48Å; V472-G616 WeakPolarHBondContact CG2-O 3.47Å; F613-G616 PolarHBondContact O-N 2.95Å; F613-G616 VanDerWaalsContact O-N 3.1Å; G616-F618 PolarHBondContact O-N 3.49Å
617	T	91.5	Very high	90.5	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.018	14%	0.141	C	C	.	.			trans	-61.4	128.4	166.2	-62.7	0	0	0	0	109.3	F613 D615 I630 I631 C632	F613-T617 HydrophobicContact CD2-CG2 4.39Å; F613-T617 PolarHBondContact N-O 2.83Å; D615-T617 VanDerWaalsContact CG-OG1 3.28Å; D615-T617 WeakPolarHBondContact OD1-CB 3.23Å; D615-T617 PolarHBondContact OD1-N 3.13Å; D615-T617 PolarHBondContact OD1-OG1 2.93Å; D615-T617 PolarHBondContact OD2-OG1 2.93Å; T617-I630 HydrophobicContact CG2-CG2 4.15Å; T617-I631 CarbonylContact C-O 3.48Å; T617-I631 WeakPolarHBondContact CA-O 3.44Å; T617-C632 HydrophobicContact CG2-CB 4.42Å
618	F	94.1	Very high	91	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	123.7	-173.4	169.2	-106.6	0	0	0	109.5	V472 M610 M611 L612 G616 V620 I630 I631 A673 L677	V472-F618 HydrophobicContact CG1-CB 3.85Å; V472-F618 HydrophobicContact CG1-CD1 4.04Å; V472-F618 HydrophobicContact CG1-CG 3.95Å; M610-F618 HydrophobicContact CE-CE2 3.85Å; M610-F618 HydrophobicContact CG-CD2 4.22Å; M610-F618 HydrophobicContact CG-CE2 3.31Å; M610-F618 HydrophobicContact CG-CZ 3.96Å; M610-F618 HydrophobicContact SD-CE2 4.04Å; M611-F618 WeakPolarHBondContact O-CA 3.5Å; L612-F618 HydrophobicContact CD1-CB 4.17Å; L612-F618 HydrophobicContact CD1-CD2 4.19Å; G616-F618 PolarHBondContact O-N 3.49Å; F618-V620 HydrophobicContact CE1-CG2 3.72Å; F618-V620 HydrophobicContact CE2-CG2 4.07Å; F618-V620 HydrophobicContact CZ-CG2 3.37Å; F618-I630 CarbonylContact O-C 3.56Å; F618-I630 WeakPolarHBondContact O-CA 3.4Å; F618-I631 HydrophobicContact CB-CB 4.42Å; F618-I631 HydrophobicContact CD1-CB 4.29Å; F618-I631 HydrophobicContact CD1-CD1 4.01Å; F618-I631 HydrophobicContact CD1-CG1 4.26Å; F618-I631 HydrophobicContact CE1-CD1 4.43Å; F618-I631 PolarHBondContact N-O 3.18Å; F618-I631 PolarHBondContact O-N 3.17Å; F618-A673 HydrophobicContact CE1-CB 3.88Å; F618-A673 HydrophobicContact CZ-CB 4.09Å; F618-L677 HydrophobicContact CD1-CD1 4.12Å; F618-L677 HydrophobicContact CD2-CD1 4.11Å; F618-L677 HydrophobicContact CD2-CD2 3.9Å; F618-L677 HydrophobicContact CD2-CG 4.12Å; F618-L677 HydrophobicContact CE1-CD1 3.67Å; F618-L677 HydrophobicContact CE1-CG 4.28Å; F618-L677 HydrophobicContact CE2-CD1 3.66Å; F618-L677 HydrophobicContact CE2-CD2 3.59Å; F618-L677 HydrophobicContact CE2-CG 3.42Å; F618-L677 VanDerWaalsContact CE2-CG 3.42Å; F618-L677 HydrophobicContact CG-CD1 4.31Å; F618-L677 HydrophobicContact CZ-CD1 3.42Å; F618-L677 VanDerWaalsContact CZ-CD1 3.42Å; F618-L677 HydrophobicContact CZ-CD2 4.21Å; F618-L677 HydrophobicContact CZ-CG 3.52Å
619	Q	95.9	Very high	91.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.8	-174.8	177.1	171.4	-16.9	0	0	111.4	V501 M610 M611 N621 I629 I630	V501-Q619 PolarHBondContact O-NE2 3.01Å; M610-Q619 CarbonylContact C-O 3.45Å; M610-Q619 WeakPolarHBondContact CA-O 3.38Å; M611-Q619 HydrophobicContact CE-CB 4.2Å; M611-Q619 HydrophobicContact CE-CG 3.77Å; M611-Q619 PolarHBondContact N-O 3.32Å; M611-Q619 PolarHBondContact O-N 2.81Å; Q619-N621 WeakPolarHBondContact CG-OD1 3.44Å; Q619-N621 PolarHBondContact NE2-OD1 2.88Å; Q619-I629 CarbonylContact C-O 3.54Å; Q619-I629 WeakPolarHBondContact CA-O 3.35Å; Q619-I630 HydrophobicContact CB-CG1 4.25Å; Q619-I630 HydrophobicContact CB-CG2 4.35Å; Q619-I630 HydrophobicContact CG-CG1 3.81Å
620	V	96.7	Very high	91.3	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.8	174.1	-176.8	0	0	0	0	110	A608 L609 M610 F618 F622 K628 I629 A673 M676	A608-V620 HydrophobicContact CB-CG1 3.78Å; L609-V620 CarbonylContact O-C 3.53Å; L609-V620 VanDerWaalsContact O-CA 3.27Å; L609-V620 WeakPolarHBondContact O-CA 3.05Å; M610-V620 HydrophobicContact CB-CG2 4.19Å; M610-V620 HydrophobicContact CG-CG2 4.17Å; F618-V620 HydrophobicContact CE1-CG2 3.72Å; F618-V620 HydrophobicContact CE2-CG2 4.07Å; F618-V620 HydrophobicContact CZ-CG2 3.37Å; V620-F622 HydrophobicContact CB-CE2 4.31Å; V620-F622 HydrophobicContact CG1-CD2 4.29Å; V620-F622 HydrophobicContact CG1-CE1 4.31Å; V620-F622 HydrophobicContact CG1-CE2 3.74Å; V620-F622 HydrophobicContact CG1-CZ 3.75Å; V620-K628 CarbonylContact O-C 3.55Å; V620-K628 VanDerWaalsContact O-CA 3.23Å; V620-K628 WeakPolarHBondContact O-CA 3.39Å; V620-I629 PolarHBondContact N-O 2.91Å; V620-I629 PolarHBondContact O-N 3.34Å; V620-A673 HydrophobicContact CB-CB 4.46Å; V620-A673 HydrophobicContact CG2-CB 3.8Å; V620-M676 HydrophobicContact CG1-SD 4.23Å
621	N	95.2	Very high	91.3	Very high	4 Å²	4	25 Å²	25	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119	178.1	-63.9	5.5	0	0	0	109.6	A608 L609 Q619 K628	A608-N621 CarbonylContact C-O 3.59Å; A608-N621 VanDerWaalsContact CA-O 3.23Å; A608-N621 WeakPolarHBondContact CA-O 3.35Å; A608-N621 WeakPolarHBondContact CB-O 3.45Å; L609-N621 HydrophobicContact CB-CB 4.43Å; L609-N621 PolarHBondContact N-O 3.27Å; L609-N621 PolarHBondContact O-N 3.37Å; Q619-N621 WeakPolarHBondContact CG-OD1 3.44Å; Q619-N621 PolarHBondContact NE2-OD1 2.88Å; N621-K628 HydrophobicContact CB-CG 4.39Å
622	F	92.7	Very high	91.1	Very high	15 Å²	15	25.2 Å²	25.2	7%	0.066	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	137.1	-179.8	-63.7	-92.7	0	0	0	111.2	A608 V620 D625 H626 T627 R669 Y672	A608-F622 HydrophobicContact CB-CD1 3.8Å; A608-F622 HydrophobicContact CB-CE1 4.1Å; A608-F622 HydrophobicContact CB-CG 4.26Å; V620-F622 HydrophobicContact CB-CE2 4.31Å; V620-F622 HydrophobicContact CG1-CD2 4.29Å; V620-F622 HydrophobicContact CG1-CE1 4.31Å; V620-F622 HydrophobicContact CG1-CE2 3.74Å; V620-F622 HydrophobicContact CG1-CZ 3.75Å; F622-D625 WeakPolarHBondContact CB-OD1 3.46Å; F622-H626 VanDerWaalsContact O-CA 3.3Å; F622-H626 WeakPolarHBondContact O-CA 3.44Å; F622-H626 PolarHBondContact O-N 3.35Å; F622-T627 PolarHBondContact N-O 2.87Å; F622-R669 HydrophobicContact CE2-CB 4.04Å; F622-R669 HydrophobicContact CE2-CG 4.24Å; F622-R669 HydrophobicContact CZ-CB 3.92Å; F622-R669 VanDerWaalsContact CZ-CD 3.42Å; F622-R669 HydrophobicContact CZ-CG 4.24Å; F622-Y672 AromaticContact CE1-CD1 3.53Å; F622-Y672 HydrophobicContact CE1-CD1 3.53Å; F622-Y672 HydrophobicContact CE1-CE1 4.16Å; F622-Y672 HydrophobicContact CE1-CG 4.01Å; F622-Y672 HydrophobicContact CZ-CD1 4.08Å
623	Y	85.8	Confident	90.9	Very high	70 Å²	70	28.1 Å²	28.1	28%	0.275	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-34.5	-171.6	-58.7	-52.6	0	0	0	114.2	K604 S605 K607 A608 L609	K604-Y623 WeakPolarHBondContact CG-OH 3.48Å; S605-Y623 WeakPolarHBondContact O-CE2 3.4Å; K607-Y623 VanDerWaalsContact O-CD2 3.31Å; K607-Y623 WeakPolarHBondContact O-CD2 3.06Å; K607-Y623 PolarHBondContact O-N 3.39Å; A608-Y623 VanDerWaalsContact C-CE2 3.44Å; L609-Y623 HydrophobicContact CB-CE1 4.15Å; L609-Y623 WeakPolarHBondContact CB-OH 3.48Å; L609-Y623 PolarHBondContact N-OH 2.88Å
624	H	82.6	Confident	90.5	Very high	153 Å²	153	30.1 Å²	30.1	71%	0.708	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-36.2	-168.9	-72.4	-61.2	0	0	0	113.1
625	D	88.5	Confident	90.3	Very high	24 Å²	24	35.2 Å²	35.2	13%	0.128	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.6	2.1	-169.8	65.9	-43.7	0	0	0	112.2	F622 T627 E645 R669	F622-D625 WeakPolarHBondContact CB-OD1 3.46Å; D625-T627 PolarHBondContact O-N 3.03Å; D625-T627 PolarHBondContact OD1-OG1 3.5Å; D625-T627 WeakPolarHBondContact OD2-CB 3.09Å; D625-T627 WeakPolarHBondContact OD2-CG2 3.49Å; D625-T627 PolarHBondContact OD2-OG1 3.25Å; D625-E645 HydrophobicContact CB-CG 4.25Å; D625-R669 VanDerWaalsContact CG-NH2 3.31Å; D625-R669 IonicContact OD1-CZ 2.8Å; D625-R669 IonicContact OD1-NH1 2.92Å; D625-R669 PolarHBondContact OD1-NH1 3.22Å; D625-R669 IonicContact OD1-NH2 3.56Å; D625-R669 IonicContact OD2-CZ 3.87Å; D625-R669 IonicContact OD2-NH1 2.61Å; D625-R669 PolarHBondContact OD2-NH1 3.04Å; D625-R669 IonicContact OD2-NH2 3.54Å; D625-R669 PolarHBondContact OD2-NH2 3.02Å
626	H	86.4	Confident	90.1	Very high	120 Å²	120	39.7 Å²	39.7	56%	0.556	19%	0.193	S	C	*	.			trans	62.9	9.5	176	-57.3	-54.9	0	0	0	116.6	F622 K628	F622-H626 VanDerWaalsContact O-CA 3.3Å; F622-H626 WeakPolarHBondContact O-CA 3.44Å; F622-H626 PolarHBondContact O-N 3.35Å; H626-K628 PolarHBondContact O-NZ 2.77Å
627	T	93.6	Very high	90.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.204	C	C	.	.			trans	-68.8	158.4	174.4	59.4	0	0	0	0	112.1	F622 D625 Y642 I643 E645 R669	F622-T627 PolarHBondContact N-O 2.87Å; D625-T627 PolarHBondContact O-N 3.03Å; D625-T627 PolarHBondContact OD1-OG1 3.5Å; D625-T627 WeakPolarHBondContact OD2-CB 3.09Å; D625-T627 WeakPolarHBondContact OD2-CG2 3.49Å; D625-T627 PolarHBondContact OD2-OG1 3.25Å; T627-Y642 HydrophobicContact CG2-CE2 4.2Å; T627-Y642 WeakPolarHBondContact CG2-OH 3.5Å; T627-I643 CarbonylContact C-O 3.58Å; T627-I643 WeakPolarHBondContact CA-O 3.16Å; T627-I643 WeakPolarHBondContact CB-O 3.43Å; T627-E645 HydrophobicContact CG2-CG 3.76Å; T627-R669 PolarHBondContact OG1-NH1 3.35Å
628	K	95.2	Very high	90.1	Very high	10 Å²	10	45.2 Å²	45.2	4%	0.043	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	145.6	-178.1	-49.6	174.9	-175.4	62.8	0	111	W500 G583 V620 N621 H626 Y642 I643	W500-K628 HydrophobicContact CZ3-CD 4.46Å; G583-K628 WeakPolarHBondContact O-CE 3.41Å; G583-K628 PolarHBondContact O-NZ 2.8Å; V620-K628 CarbonylContact O-C 3.55Å; V620-K628 VanDerWaalsContact O-CA 3.23Å; V620-K628 WeakPolarHBondContact O-CA 3.39Å; N621-K628 HydrophobicContact CB-CG 4.39Å; H626-K628 PolarHBondContact O-NZ 2.77Å; K628-Y642 WeakPolarHBondContact O-CA 3.48Å; K628-Y642 WeakPolarHBondContact O-CD2 3.4Å; K628-I643 HydrophobicContact CB-CB 4.08Å; K628-I643 HydrophobicContact CB-CD1 4.38Å; K628-I643 HydrophobicContact CB-CG1 4.43Å; K628-I643 HydrophobicContact CD-CD1 4.17Å; K628-I643 HydrophobicContact CG-CB 4.49Å; K628-I643 PolarHBondContact N-O 3.31Å; K628-I643 PolarHBondContact O-N 3.32Å
629	I	95.9	Very high	90.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	134.3	165.9	-69.5	-174.7	0	0	0	108.3	Q619 V620 I631 L640 T641 Y642 L666 R669 M670	Q619-I629 CarbonylContact C-O 3.54Å; Q619-I629 WeakPolarHBondContact CA-O 3.35Å; V620-I629 PolarHBondContact N-O 2.91Å; V620-I629 PolarHBondContact O-N 3.34Å; I629-I631 HydrophobicContact CG2-CG1 4.14Å; I629-L640 HydrophobicContact CG2-CD1 4.03Å; I629-L640 HydrophobicContact CG2-CG 4.12Å; I629-T641 CarbonylContact C-O 3.53Å; I629-T641 WeakPolarHBondContact CA-O 3.38Å; I629-Y642 HydrophobicContact CG1-CD2 4.07Å; I629-L666 HydrophobicContact CD1-CD1 3.9Å; I629-L666 HydrophobicContact CG1-CD1 4.35Å; I629-R669 HydrophobicContact CD1-CB 3.29Å; I629-R669 HydrophobicContact CD1-CG 4.49Å; I629-R669 HydrophobicContact CG1-CB 4.2Å; I629-M670 HydrophobicContact CD1-CG 3.95Å
630	I	95.2	Very high	90	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	126.6	172.4	-48.5	155.3	0	0	0	108.3	F498 W500 T617 F618 Q619 L640 T641 I643	F498-I630 HydrophobicContact CE2-CB 4.28Å; F498-I630 HydrophobicContact CE2-CD1 4.33Å; F498-I630 HydrophobicContact CE2-CG2 3.62Å; F498-I630 HydrophobicContact CZ-CB 4.4Å; F498-I630 HydrophobicContact CZ-CD1 4.38Å; F498-I630 HydrophobicContact CZ-CG2 4.19Å; W500-I630 HydrophobicContact CB-CD1 3.9Å; W500-I630 HydrophobicContact CD2-CD1 3.99Å; W500-I630 HydrophobicContact CE3-CD1 3.78Å; W500-I630 HydrophobicContact CG-CD1 4.06Å; T617-I630 HydrophobicContact CG2-CG2 4.15Å; F618-I630 CarbonylContact O-C 3.56Å; F618-I630 WeakPolarHBondContact O-CA 3.4Å; Q619-I630 HydrophobicContact CB-CG1 4.25Å; Q619-I630 HydrophobicContact CB-CG2 4.35Å; Q619-I630 HydrophobicContact CG-CG1 3.81Å; I630-L640 CarbonylContact O-C 3.57Å; I630-L640 WeakPolarHBondContact O-CA 3.4Å; I630-T641 PolarHBondContact N-O 3.39Å; I630-T641 PolarHBondContact O-N 2.97Å; I630-I643 HydrophobicContact CD1-CD1 4.06Å
631	I	94	Very high	89.8	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.4	173.6	-57.8	177.1	0	0	0	107.6	L476 T617 F618 I629 Y638 L639 L640	L476-I631 HydrophobicContact CB-CD1 4.4Å; L476-I631 HydrophobicContact CD1-CD1 3.78Å; L476-I631 HydrophobicContact CD2-CD1 3.93Å; L476-I631 HydrophobicContact CG-CD1 4.26Å; T617-I631 CarbonylContact C-O 3.48Å; T617-I631 WeakPolarHBondContact CA-O 3.44Å; F618-I631 HydrophobicContact CB-CB 4.42Å; F618-I631 HydrophobicContact CD1-CB 4.29Å; F618-I631 HydrophobicContact CD1-CD1 4.01Å; F618-I631 HydrophobicContact CD1-CG1 4.26Å; F618-I631 HydrophobicContact CE1-CD1 4.43Å; F618-I631 PolarHBondContact N-O 3.18Å; F618-I631 PolarHBondContact O-N 3.17Å; I629-I631 HydrophobicContact CG2-CG1 4.14Å; I631-Y638 HydrophobicContact CG2-CD1 4.21Å; I631-L639 VanDerWaalsContact CA-O 3.31Å; I631-L639 WeakPolarHBondContact CA-O 3.48Å; I631-L640 HydrophobicContact CD1-CD1 4.42Å; I631-L640 HydrophobicContact CG1-CD1 4.24Å; I631-L640 HydrophobicContact CG1-CG 4.38Å
632	C	91.5	Very high	89.7	Confident	4 Å²	4	45.9 Å²	45.9	3%	0.027	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	157.5	175.7	60.8	0	0	0	0	110.2	F498 T617 Y638 L639	F498-C632 HydrophobicContact CD2-CB 4.41Å; T617-C632 HydrophobicContact CG2-CB 4.42Å; C632-Y638 WeakPolarHBondContact O-CA 3.38Å; C632-L639 PolarHBondContact N-O 3.46Å; C632-L639 VanDerWaalsContact N-O 3.11Å; C632-L639 PolarHBondContact O-N 2.73Å
633	N	88.1	Confident	89.7	Confident	61 Å²	61	45.1 Å²	45.1	33%	0.326	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123.7	171.2	-175.4	-16.1	0	0	0	108.6	E636 E637 Y638	N633-E636 WeakPolarHBondContact OD1-CA 3.43Å; N633-E636 PolarHBondContact OD1-N 3.41Å; N633-E637 WeakPolarHBondContact CA-O 3.37Å; N633-E637 PolarHBondContact OD1-N 3.26Å; N633-E637 PolarHBondContact OD1-O 3.36Å; N633-Y638 HydrophobicContact CB-CD1 4.05Å; N633-Y638 HydrophobicContact CB-CE1 3.81Å
634	Q	81.8	Confident	89.9	Confident	41 Å²	41	43.7 Å²	43.7	19%	0.192	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	124	176.4	-171.7	173.7	-0.5	0	0	109.5	E636 E637 L639	Q634-E636 PolarHBondContact O-N 3.35Å; Q634-E637 PolarHBondContact N-O 3.1Å; Q634-E637 PolarHBondContact O-N 2.8Å; Q634-E637 VanDerWaalsContact O-N 3.08Å; Q634-L639 HydrophobicContact CB-CD1 4.05Å
635	N	80.6	Confident	90.2	Very high	143 Å²	143	42.1 Å²	42.1	77%	0.765	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	45.5	-180	-58.5	-23.5	0	0	0	113.8	E637	N635-E637 PolarHBondContact O-N 3.01Å
636	E	81.1	Confident	90.1	Very high	174 Å²	174	46.9 Å²	46.9	81%	0.813	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	66	13.5	-177.3	-54.1	-63.7	154.7	0	0	114.6	N633 Q634	N633-E636 WeakPolarHBondContact OD1-CA 3.43Å; N633-E636 PolarHBondContact OD1-N 3.41Å; Q634-E636 PolarHBondContact O-N 3.35Å
637	E	87.1	Confident	90.1	Very high	73 Å²	73	46.2 Å²	46.2	34%	0.341	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.7	176.1	-63.8	-171.4	126.8	0	0	111.3	N633 Q634 N635 R653	N633-E637 WeakPolarHBondContact CA-O 3.37Å; N633-E637 PolarHBondContact OD1-N 3.26Å; N633-E637 PolarHBondContact OD1-O 3.36Å; Q634-E637 PolarHBondContact N-O 3.1Å; Q634-E637 PolarHBondContact O-N 2.8Å; Q634-E637 VanDerWaalsContact O-N 3.08Å; N635-E637 PolarHBondContact O-N 3.01Å; E637-R653 IonicContact OE1-CZ 3.58Å; E637-R653 IonicContact OE1-NH1 2.82Å; E637-R653 PolarHBondContact OE1-NH1 2.88Å; E637-R653 IonicContact OE2-CZ 2.68Å; E637-R653 IonicContact OE2-NH1 3.86Å; E637-R653 PolarHBondContact OE2-NH1 3.45Å; E637-R653 IonicContact OE2-NH2 3.76Å
638	Y	91.1	Very high	89.7	Confident	56 Å²	56	50.1 Å²	50.1	22%	0.22	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	129	172.1	-74.1	-85.6	0	0	0	110.6	T471 V475 I631 C632 N633 L654	T471-Y638 VanDerWaalsContact CG2-OH 3.28Å; T471-Y638 WeakPolarHBondContact CG2-OH 3.17Å; V475-Y638 HydrophobicContact CG1-CD1 4.03Å; V475-Y638 HydrophobicContact CG1-CD2 3.8Å; V475-Y638 HydrophobicContact CG1-CE1 4.44Å; V475-Y638 HydrophobicContact CG1-CE2 4.25Å; V475-Y638 HydrophobicContact CG1-CG 3.69Å; V475-Y638 HydrophobicContact CG2-CD2 3.98Å; V475-Y638 HydrophobicContact CG2-CE1 4.35Å; V475-Y638 HydrophobicContact CG2-CE2 3.6Å; I631-Y638 HydrophobicContact CG2-CD1 4.21Å; C632-Y638 WeakPolarHBondContact O-CA 3.38Å; N633-Y638 HydrophobicContact CB-CD1 4.05Å; N633-Y638 HydrophobicContact CB-CE1 3.81Å; Y638-L654 WeakPolarHBondContact O-CD1 3.39Å; Y638-L654 PolarHBondContact O-N 2.9Å
639	L	92.5	Very high	89.4	Confident	8 Å²	8	50.8 Å²	50.8	4%	0.042	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	143.2	176.1	-54.9	179.2	0	0	0	109.8	L494 T496 I631 C632 Q634 T651 F652 R653 L654	L494-L639 HydrophobicContact CD1-CD2 4.29Å; T496-L639 HydrophobicContact CG2-CD1 3.84Å; I631-L639 VanDerWaalsContact CA-O 3.31Å; I631-L639 WeakPolarHBondContact CA-O 3.48Å; C632-L639 PolarHBondContact N-O 3.46Å; C632-L639 VanDerWaalsContact N-O 3.11Å; C632-L639 PolarHBondContact O-N 2.73Å; Q634-L639 HydrophobicContact CB-CD1 4.05Å; L639-T651 HydrophobicContact CB-CG2 4.11Å; L639-T651 HydrophobicContact CD1-CG2 4.4Å; L639-F652 CarbonylContact C-O 3.53Å; L639-F652 VanDerWaalsContact CA-O 3.3Å; L639-F652 WeakPolarHBondContact CA-O 3.45Å; L639-R653 HydrophobicContact CD2-CB 4.45Å; L639-R653 HydrophobicContact CD2-CG 3.89Å; L639-L654 VanDerWaalsContact C-CD1 3.41Å
640	L	93.9	Very high	89.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.4	169.4	-174.6	147.8	0	0	0	108.6	I629 I630 I631 T651 F652 L654 L657 L666 M670	I629-L640 HydrophobicContact CG2-CD1 4.03Å; I629-L640 HydrophobicContact CG2-CG 4.12Å; I630-L640 CarbonylContact O-C 3.57Å; I630-L640 WeakPolarHBondContact O-CA 3.4Å; I631-L640 HydrophobicContact CD1-CD1 4.42Å; I631-L640 HydrophobicContact CG1-CD1 4.24Å; I631-L640 HydrophobicContact CG1-CG 4.38Å; L640-T651 CarbonylContact O-C 3.56Å; L640-T651 WeakPolarHBondContact O-CA 3.38Å; L640-F652 HydrophobicContact CD2-CD2 4.07Å; L640-F652 PolarHBondContact N-O 2.96Å; L640-F652 WeakPolarHBondContact O-CD2 3.24Å; L640-F652 PolarHBondContact O-N 2.78Å; L640-L654 HydrophobicContact CB-CD1 3.65Å; L640-L657 HydrophobicContact CB-CD1 4.09Å; L640-L657 HydrophobicContact CD1-CD1 4.4Å; L640-L666 HydrophobicContact CD2-CD1 3.88Å; L640-L666 HydrophobicContact CD2-CD2 4.25Å; L640-M670 HydrophobicContact CD1-CE 3.9Å; L640-M670 HydrophobicContact CD1-CG 3.69Å; L640-M670 HydrophobicContact CD1-SD 3.71Å
641	T	93.8	Very high	89	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125	170.8	-52.7	0	0	0	0	109	F498 I629 I630 I643 T650 T651	F498-T641 WeakPolarHBondContact CE1-OG1 3.22Å; F498-T641 HydrophobicContact CZ-CG2 4.36Å; F498-T641 WeakPolarHBondContact CZ-OG1 3.41Å; I629-T641 CarbonylContact C-O 3.53Å; I629-T641 WeakPolarHBondContact CA-O 3.38Å; I630-T641 PolarHBondContact N-O 3.39Å; I630-T641 PolarHBondContact O-N 2.97Å; T641-I643 HydrophobicContact CG2-CG1 4.42Å; T641-T650 CarbonylContact C-O 3.35Å; T641-T650 WeakPolarHBondContact CA-O 3.12Å; T641-T651 PolarHBondContact OG1-OG1 3.36Å; T641-T651 VanDerWaalsContact OG1-OG1 3.13Å
642	Y	93.5	Very high	88.8	Confident	10 Å²	10	51.8 Å²	51.8	4%	0.039	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	124.7	172	175.3	-113.3	0	0	0	108.9	T627 K628 I629 N644 S649 T650 E665 L666	T627-Y642 HydrophobicContact CG2-CE2 4.2Å; T627-Y642 WeakPolarHBondContact CG2-OH 3.5Å; K628-Y642 WeakPolarHBondContact O-CA 3.48Å; K628-Y642 WeakPolarHBondContact O-CD2 3.4Å; I629-Y642 HydrophobicContact CG1-CD2 4.07Å; Y642-N644 HydrophobicContact CD1-CB 4.42Å; Y642-N644 HydrophobicContact CE1-CB 3.73Å; Y642-S649 WeakPolarHBondContact O-CA 3.21Å; Y642-T650 PolarHBondContact N-O 3.23Å; Y642-T650 PolarHBondContact O-N 3.25Å; Y642-E665 PolarHBondContact OH-OE1 3.12Å; Y642-L666 HydrophobicContact CD2-CD1 3.83Å; Y642-L666 HydrophobicContact CG-CD1 3.88Å
643	I	92.1	Very high	88.7	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	115.4	173.3	-55.9	179.2	0	0	0	106.6	W500 T627 K628 I630 T641 I648	W500-I643 HydrophobicContact CE3-CD1 4.27Å; W500-I643 HydrophobicContact CH2-CD1 3.86Å; W500-I643 HydrophobicContact CZ2-CD1 4.45Å; W500-I643 HydrophobicContact CZ3-CD1 3.75Å; T627-I643 CarbonylContact C-O 3.58Å; T627-I643 WeakPolarHBondContact CA-O 3.16Å; T627-I643 WeakPolarHBondContact CB-O 3.43Å; K628-I643 HydrophobicContact CB-CB 4.08Å; K628-I643 HydrophobicContact CB-CD1 4.38Å; K628-I643 HydrophobicContact CB-CG1 4.43Å; K628-I643 HydrophobicContact CD-CD1 4.17Å; K628-I643 HydrophobicContact CG-CB 4.49Å; K628-I643 PolarHBondContact N-O 3.31Å; K628-I643 PolarHBondContact O-N 3.32Å; I630-I643 HydrophobicContact CD1-CD1 4.06Å; T641-I643 HydrophobicContact CG2-CG1 4.42Å; I643-I648 WeakPolarHBondContact CA-O 3.07Å
644	N	89.4	Confident	88.8	Confident	39 Å²	39	52.7 Å²	52.7	21%	0.209	25%	0.252	C	S	.	.			trans	-80	-178.4	-175.6	73.7	-0.9	0	0	0	112.5	Y642 D646 R647 I648	Y642-N644 HydrophobicContact CD1-CB 4.42Å; Y642-N644 HydrophobicContact CE1-CB 3.73Å; N644-D646 PolarHBondContact O-N 3.37Å; N644-D646 WeakPolarHBondContact OD1-CA 3.22Å; N644-D646 WeakPolarHBondContact OD1-CB 3.39Å; N644-D646 PolarHBondContact OD1-N 3.17Å; N644-D646 VanDerWaalsContact OD1-N 3.14Å; N644-R647 WeakPolarHBondContact O-CA 3.45Å; N644-R647 PolarHBondContact O-N 3.41Å; N644-R647 PolarHBondContact OD1-N 2.95Å; N644-R647 VanDerWaalsContact OD1-N 3.16Å; N644-I648 PolarHBondContact N-O 3.08Å; N644-I648 VanDerWaalsContact N-O 3.09Å; N644-I648 WeakPolarHBondContact OD1-CB 3.47Å; N644-I648 PolarHBondContact OD1-N 2.99Å; N644-I648 PolarHBondContact OD1-O 3.27Å
645	E	89.3	Confident	89.1	Confident	121 Å²	121	54.6 Å²	54.6	57%	0.565	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-32.5	179.7	-58.5	-171.1	174.2	0	0	112.5	D625 T627 R647	D625-E645 HydrophobicContact CB-CG 4.25Å; T627-E645 HydrophobicContact CG2-CG 3.76Å; E645-R647 PolarHBondContact O-N 3.34Å
646	D	86.3	Confident	89.5	Confident	124 Å²	124	48.7 Å²	48.7	66%	0.663	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	2.5	175.7	-59.6	-51	0	0	0	113.5	N644 I648	N644-D646 PolarHBondContact O-N 3.37Å; N644-D646 WeakPolarHBondContact OD1-CA 3.22Å; N644-D646 WeakPolarHBondContact OD1-CB 3.39Å; N644-D646 PolarHBondContact OD1-N 3.17Å; N644-D646 VanDerWaalsContact OD1-N 3.14Å; D646-I648 HydrophobicContact CB-CD1 4.05Å; D646-I648 HydrophobicContact CB-CG1 4.09Å; D646-I648 PolarHBondContact O-N 3.1Å
647	R	85.6	Confident	89.8	Confident	106 Å²	106	40.4 Å²	40.4	40%	0.4	20%	0.198	S	C	.	.			trans	65.1	17.8	-176.7	-51	-176	178.4	-158.3	0.7	114.9	D582 D585 N644 E645	D582-R647 PolarHBondContact O-NH1 3.23Å; D585-R647 PolarHBondContact N-O 3.4Å; N644-R647 WeakPolarHBondContact O-CA 3.45Å; N644-R647 PolarHBondContact O-N 3.41Å; N644-R647 PolarHBondContact OD1-N 2.95Å; N644-R647 VanDerWaalsContact OD1-N 3.16Å; E645-R647 PolarHBondContact O-N 3.34Å
648	I	86.4	Confident	89.8	Confident	82 Å²	82	40 Å²	40	42%	0.421	20%	0.197	S	C	.	.			trans	-82.8	125.2	174.8	-57.7	173.3	0	0	0	108	I643 N644 D646	I643-I648 WeakPolarHBondContact CA-O 3.07Å; N644-I648 PolarHBondContact N-O 3.08Å; N644-I648 VanDerWaalsContact N-O 3.09Å; N644-I648 WeakPolarHBondContact OD1-CB 3.47Å; N644-I648 PolarHBondContact OD1-N 2.99Å; N644-I648 PolarHBondContact OD1-O 3.27Å; D646-I648 HydrophobicContact CB-CD1 4.05Å; D646-I648 HydrophobicContact CB-CG1 4.09Å; D646-I648 PolarHBondContact O-N 3.1Å
649	S	89.1	Confident	89.6	Confident	24 Å²	24	44.3 Å²	44.3	17%	0.168	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	137.2	176.2	58.3	0	0	0	0	111.7	D585 L586 Y642	D585-S649 VanDerWaalsContact OD1-CB 3.25Å; D585-S649 WeakPolarHBondContact OD1-CB 3.5Å; D585-S649 PolarHBondContact OD1-N 3.37Å; D585-S649 PolarHBondContact OD1-OG 2.84Å; L586-S649 WeakPolarHBondContact CD1-OG 3.14Å; Y642-S649 WeakPolarHBondContact O-CA 3.21Å
650	T	89.8	Confident	89.3	Confident	18 Å²	18	46.9 Å²	46.9	11%	0.11	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	128.5	169.2	-49.4	0	0	0	0	109.8	Q493 T641 Y642 F652	Q493-T650 HydrophobicContact CG-CG2 3.9Å; T641-T650 CarbonylContact C-O 3.35Å; T641-T650 WeakPolarHBondContact CA-O 3.12Å; Y642-T650 PolarHBondContact N-O 3.23Å; Y642-T650 PolarHBondContact O-N 3.25Å; T650-F652 HydrophobicContact CG2-CD1 4.44Å; T650-F652 HydrophobicContact CG2-CE1 3.47Å; T650-F652 VanDerWaalsContact CG2-CE1 3.47Å; T650-F652 HydrophobicContact CG2-CE2 4.03Å; T650-F652 HydrophobicContact CG2-CZ 3.21Å
651	T	91.2	Very high	89.1	Confident	4 Å²	4	46.9 Å²	46.9	3%	0.025	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.2	-176.4	-53.5	0	0	0	0	111.6	L494 T496 L639 L640 T641	L494-T651 PolarHBondContact N-O 3.19Å; T496-T651 HydrophobicContact CG2-CG2 4.37Å; L639-T651 HydrophobicContact CB-CG2 4.11Å; L639-T651 HydrophobicContact CD1-CG2 4.4Å; L640-T651 CarbonylContact O-C 3.56Å; L640-T651 WeakPolarHBondContact O-CA 3.38Å; T641-T651 PolarHBondContact OG1-OG1 3.36Å; T641-T651 VanDerWaalsContact OG1-OG1 3.13Å
652	F	90	Very high	88.9	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	146.9	-179.8	-44.9	-77	0	0	0	110.6	I489 P490 L639 L640 T650 L657 L666	I489-F652 HydrophobicContact CG2-CD1 4.47Å; I489-F652 HydrophobicContact CG2-CE1 3.24Å; I489-F652 HydrophobicContact CG2-CE2 4.37Å; I489-F652 HydrophobicContact CG2-CZ 3.18Å; P490-F652 HydrophobicContact CB-CD1 4.36Å; P490-F652 HydrophobicContact CG-CD1 4.39Å; L639-F652 CarbonylContact C-O 3.53Å; L639-F652 VanDerWaalsContact CA-O 3.3Å; L639-F652 WeakPolarHBondContact CA-O 3.45Å; L640-F652 HydrophobicContact CD2-CD2 4.07Å; L640-F652 PolarHBondContact N-O 2.96Å; L640-F652 WeakPolarHBondContact O-CD2 3.24Å; L640-F652 PolarHBondContact O-N 2.78Å; T650-F652 HydrophobicContact CG2-CD1 4.44Å; T650-F652 HydrophobicContact CG2-CE1 3.47Å; T650-F652 VanDerWaalsContact CG2-CE1 3.47Å; T650-F652 HydrophobicContact CG2-CE2 4.03Å; T650-F652 HydrophobicContact CG2-CZ 3.21Å; F652-L657 HydrophobicContact CB-CD1 3.98Å; F652-L657 HydrophobicContact CB-CD2 4Å; F652-L657 HydrophobicContact CB-CG 3.82Å; F652-L657 HydrophobicContact CD1-CD2 4.42Å; F652-L657 HydrophobicContact CD2-CD1 4.47Å; F652-L657 HydrophobicContact CD2-CD2 4.25Å; F652-L657 HydrophobicContact CG-CD1 4.47Å; F652-L657 HydrophobicContact CG-CD2 3.95Å; F652-L657 HydrophobicContact CG-CG 4.31Å; F652-L666 HydrophobicContact CD2-CD2 4.34Å; F652-L666 HydrophobicContact CE2-CD2 3.95Å
653	R	91.1	Very high	88.7	Confident	71 Å²	71	47.5 Å²	47.5	27%	0.268	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	138.1	158.1	-68.2	154.3	-168.2	-92.6	-14.6	108.3	E492 L494 E637 L639 T655 T656 L657	E492-R653 WeakPolarHBondContact OE1-CD 3.41Å; E492-R653 IonicContact OE1-NE 2.75Å; E492-R653 PolarHBondContact OE1-NE 2.86Å; E492-R653 VanDerWaalsContact OE1-NE 3.14Å; L494-R653 HydrophobicContact CD1-CG 3.62Å; E637-R653 IonicContact OE1-CZ 3.58Å; E637-R653 IonicContact OE1-NH1 2.82Å; E637-R653 PolarHBondContact OE1-NH1 2.88Å; E637-R653 IonicContact OE2-CZ 2.68Å; E637-R653 IonicContact OE2-NH1 3.86Å; E637-R653 PolarHBondContact OE2-NH1 3.45Å; E637-R653 IonicContact OE2-NH2 3.76Å; L639-R653 HydrophobicContact CD2-CB 4.45Å; L639-R653 HydrophobicContact CD2-CG 3.89Å; R653-T655 WeakPolarHBondContact CB-OG1 3.5Å; R653-T655 PolarHBondContact O-N 2.91Å; R653-T656 WeakPolarHBondContact O-CB 3.48Å; R653-T656 PolarHBondContact O-N 3.14Å; R653-L657 PolarHBondContact O-N 3.11Å; R653-L657 VanDerWaalsContact O-N 3.16Å
654	L	89.9	Confident	88.6	Confident	12 Å²	12	52.8 Å²	52.8	6%	0.063	27%	0.273	C	S	.	.	H	α-helix	trans	-60	-31.9	171.6	-92.7	74.2	0	0	0	111.5	V475 C479 Y638 L639 L640 T656 L657 L658	V475-L654 HydrophobicContact CG1-CD2 3.38Å; C479-L654 HydrophobicContact CB-CD2 4.24Å; Y638-L654 WeakPolarHBondContact O-CD1 3.39Å; Y638-L654 PolarHBondContact O-N 2.9Å; L639-L654 VanDerWaalsContact C-CD1 3.41Å; L640-L654 HydrophobicContact CB-CD1 3.65Å; L654-T656 VanDerWaalsContact C-N 3.33Å; L654-T656 PolarHBondContact O-N 2.98Å; L654-L657 PolarHBondContact O-N 3.2Å; L654-L658 WeakPolarHBondContact O-CB 3.08Å; L654-L658 PolarHBondContact O-N 2.88Å
655	T	87.4	Confident	88.6	Confident	81 Å²	81	54.7 Å²	54.7	50%	0.497	28%	0.281	S	S	.	.	H	α-helix	trans	-63.6	-36.7	174.1	51.7	0	0	0	0	112.4	R653 L658 M659	R653-T655 WeakPolarHBondContact CB-OG1 3.5Å; R653-T655 PolarHBondContact O-N 2.91Å; T655-L658 WeakPolarHBondContact O-CB 3.44Å; T655-L658 PolarHBondContact O-N 2.84Å; T655-M659 VanDerWaalsContact O-CG 3.3Å; T655-M659 WeakPolarHBondContact O-CG 3.47Å; T655-M659 PolarHBondContact O-N 3.32Å; T655-M659 VanDerWaalsContact O-N 3.09Å
656	T	88.1	Confident	88.7	Confident	20 Å²	20	48.9 Å²	48.9	12%	0.123	25%	0.254	C	S	.	.	H	α-helix	trans	-68	-42.3	175.4	-56.1	0	0	0	0	111.3	P490 E492 R653 L654 L658 M659 S660	P490-T656 HydrophobicContact CB-CG2 4.02Å; E492-T656 HydrophobicContact CB-CG2 4.24Å; E492-T656 WeakPolarHBondContact OE2-CB 3.47Å; E492-T656 VanDerWaalsContact OE2-CG2 3.27Å; E492-T656 WeakPolarHBondContact OE2-CG2 3.23Å; E492-T656 PolarHBondContact OE2-OG1 2.86Å; R653-T656 WeakPolarHBondContact O-CB 3.48Å; R653-T656 PolarHBondContact O-N 3.14Å; L654-T656 VanDerWaalsContact C-N 3.33Å; L654-T656 PolarHBondContact O-N 2.98Å; T656-L658 VanDerWaalsContact C-N 3.34Å; T656-M659 PolarHBondContact O-N 2.91Å; T656-S660 VanDerWaalsContact O-CB 3.3Å; T656-S660 WeakPolarHBondContact O-CB 3.42Å; T656-S660 PolarHBondContact O-N 3.42Å; T656-S660 PolarHBondContact O-OG 2.87Å; T656-S660 VanDerWaalsContact O-OG 3.07Å
657	L	88.9	Confident	89.1	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62	-43.4	174.2	-63.3	172.1	0	0	0	110.9	M483 P490 L640 F652 R653 L654 M659 S660 G661 C662	M483-L657 HydrophobicContact CE-CB 3.59Å; M483-L657 WeakPolarHBondContact CG-O 3.1Å; P490-L657 HydrophobicContact CG-CD2 3.85Å; L640-L657 HydrophobicContact CB-CD1 4.09Å; L640-L657 HydrophobicContact CD1-CD1 4.4Å; F652-L657 HydrophobicContact CB-CD1 3.98Å; F652-L657 HydrophobicContact CB-CD2 4Å; F652-L657 HydrophobicContact CB-CG 3.82Å; F652-L657 HydrophobicContact CD1-CD2 4.42Å; F652-L657 HydrophobicContact CD2-CD1 4.47Å; F652-L657 HydrophobicContact CD2-CD2 4.25Å; F652-L657 HydrophobicContact CG-CD1 4.47Å; F652-L657 HydrophobicContact CG-CD2 3.95Å; F652-L657 HydrophobicContact CG-CG 4.31Å; R653-L657 PolarHBondContact O-N 3.11Å; R653-L657 VanDerWaalsContact O-N 3.16Å; L654-L657 PolarHBondContact O-N 3.2Å; L657-M659 PolarHBondContact O-N 3.2Å; L657-S660 PolarHBondContact O-N 2.98Å; L657-G661 WeakPolarHBondContact O-CA 3.31Å; L657-G661 PolarHBondContact O-N 2.67Å; L657-C662 HydrophobicContact CD2-CB 3.74Å
658	L	87.4	Confident	89.4	Confident	63 Å²	63	43.9 Å²	43.9	33%	0.33	23%	0.233	S	C	.	.	H	α-helix	trans	-57.1	-36.3	175.5	-175.9	64.5	0	0	0	112.7	N482 P484 L654 T655 T656	N482-L658 HydrophobicContact CB-CD1 3.48Å; N482-L658 VanDerWaalsContact CB-CD1 3.48Å; P484-L658 WeakPolarHBondContact CD-O 3.38Å; L654-L658 WeakPolarHBondContact O-CB 3.08Å; L654-L658 PolarHBondContact O-N 2.88Å; T655-L658 WeakPolarHBondContact O-CB 3.44Å; T655-L658 PolarHBondContact O-N 2.84Å; T656-L658 VanDerWaalsContact C-N 3.34Å
659	M	85.9	Confident	89.8	Confident	148 Å²	148	42 Å²	42	73%	0.729	22%	0.221	S	C	*	.	H	α-helix	trans	-85.3	-31.9	-179.6	-67.5	-58.3	-61	0	0	113.8	T655 T656 L657	T655-M659 VanDerWaalsContact O-CG 3.3Å; T655-M659 WeakPolarHBondContact O-CG 3.47Å; T655-M659 PolarHBondContact O-N 3.32Å; T655-M659 VanDerWaalsContact O-N 3.09Å; T656-M659 PolarHBondContact O-N 2.91Å; L657-M659 PolarHBondContact O-N 3.2Å
660	S	86.8	Confident	90.1	Very high	61 Å²	61	40.9 Å²	40.9	43%	0.427	21%	0.213	S	C	.	.	H	α-helix	trans	-116.1	-12.2	-164.7	-47.1	0	0	0	0	114.4	A486 T656 L657	A486-S660 WeakPolarHBondContact CB-O 3.38Å; T656-S660 VanDerWaalsContact O-CB 3.3Å; T656-S660 WeakPolarHBondContact O-CB 3.42Å; T656-S660 PolarHBondContact O-N 3.42Å; T656-S660 PolarHBondContact O-OG 2.87Å; T656-S660 VanDerWaalsContact O-OG 3.07Å; L657-S660 PolarHBondContact O-N 2.98Å
661	G	88.4	Confident	90.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.224	C	C	.	.			trans	78.6	-179.5	-171.4	0	0	0	0	0	113	P484 P490 L657	P484-G661 VanDerWaalsContact O-CA 3.25Å; P484-G661 WeakPolarHBondContact O-CA 3.41Å; P490-G661 WeakPolarHBondContact CG-O 3.49Å; L657-G661 WeakPolarHBondContact O-CA 3.31Å; L657-G661 PolarHBondContact O-N 2.67Å
662	C	90.3	Very high	90.4	Very high	4 Å²	4	45 Å²	45	3%	0.027	23%	0.229	C	C	.	.			trans	-151.7	168	171.3	70.9	0	0	0	0	110.9	M483 A486 L657 L666	M483-C662 HydrophobicContact SD-CB 4.18Å; M483-C662 PolarHBondContact SD-SG 2.99Å; A486-C662 CarbonylContact O-C 3.55Å; L657-C662 HydrophobicContact CD2-CB 3.74Å; C662-L666 HydrophobicContact CB-CB 4.45Å; C662-L666 HydrophobicContact CB-CD2 3.97Å; C662-L666 HydrophobicContact CB-CG 4.37Å
663	S	90.3	Very high	90.6	Very high	19 Å²	19	45 Å²	45	13%	0.133	23%	0.229	C	C	.	.			trans	-56.7	148.5	178.6	65.1	0	0	0	0	112.1	E665 L666 K667	S663-E665 PolarHBondContact O-N 3.16Å; S663-E665 VanDerWaalsContact O-N 3.16Å; S663-L666 PolarHBondContact O-N 2.79Å; S663-L666 PolarHBondContact OG-N 2.97Å; S663-K667 PolarHBondContact O-N 2.85Å
664	L	89.3	Confident	90.7	Very high	112 Å²	112	42.2 Å²	42.2	59%	0.586	22%	0.22	S	C	*	.	H	α-helix	trans	-54.4	-36.4	177.7	-178.1	61.7	0	0	0	112.4	K667 N668	L664-K667 PolarHBondContact O-N 3.08Å; L664-N668 WeakPolarHBondContact O-CB 3.49Å; L664-N668 PolarHBondContact O-N 2.91Å; L664-N668 PolarHBondContact O-ND2 3.07Å
665	E	89.7	Confident	90.7	Very high	78 Å²	78	44 Å²	44	36%	0.364	23%	0.229	S	C	.	.	H	α-helix	trans	-61.2	-52.6	176	-169.3	-167.2	160	0	0	111.6	Y642 S663 K667 N668 R669	Y642-E665 PolarHBondContact OH-OE1 3.12Å; S663-E665 PolarHBondContact O-N 3.16Å; S663-E665 VanDerWaalsContact O-N 3.16Å; E665-K667 VanDerWaalsContact C-N 3.3Å; E665-K667 PolarHBondContact O-N 3.14Å; E665-N668 PolarHBondContact O-N 2.83Å; E665-R669 VanDerWaalsContact O-CG 3.25Å; E665-R669 WeakPolarHBondContact O-CG 3.46Å; E665-R669 PolarHBondContact O-N 3.2Å; E665-R669 VanDerWaalsContact O-N 3.1Å; E665-R669 IonicContact OE1-NH2 2.8Å
666	L	91.8	Very high	90.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-41.9	180	179.2	53.1	0	0	0	110.9	I629 L640 Y642 F652 C662 S663 N668 R669 M670	I629-L666 HydrophobicContact CD1-CD1 3.9Å; I629-L666 HydrophobicContact CG1-CD1 4.35Å; L640-L666 HydrophobicContact CD2-CD1 3.88Å; L640-L666 HydrophobicContact CD2-CD2 4.25Å; Y642-L666 HydrophobicContact CD2-CD1 3.83Å; Y642-L666 HydrophobicContact CG-CD1 3.88Å; F652-L666 HydrophobicContact CD2-CD2 4.34Å; F652-L666 HydrophobicContact CE2-CD2 3.95Å; C662-L666 HydrophobicContact CB-CB 4.45Å; C662-L666 HydrophobicContact CB-CD2 3.97Å; C662-L666 HydrophobicContact CB-CG 4.37Å; S663-L666 PolarHBondContact O-N 2.79Å; S663-L666 PolarHBondContact OG-N 2.97Å; L666-N668 PolarHBondContact O-N 2.81Å; L666-R669 PolarHBondContact O-N 3.42Å; L666-M670 HydrophobicContact CD1-CG 4.27Å; L666-M670 HydrophobicContact CD1-SD 4.39Å; L666-M670 HydrophobicContact CG-SD 4.1Å; L666-M670 VanDerWaalsContact O-CG 3.3Å; L666-M670 WeakPolarHBondContact O-CG 3.38Å; L666-M670 PolarHBondContact O-N 3.46Å
667	K	92.8	Very high	90.7	Very high	47 Å²	47	39.1 Å²	39.1	20%	0.204	20%	0.199	C	C	.	.	H	α-helix	trans	-57.4	-49.2	175.3	-172.5	176.2	178	175.9	0	112.1	L480 S663 L664 E665 R669 M670 E671	L480-K667 HydrophobicContact CD2-CG 4.03Å; S663-K667 PolarHBondContact O-N 2.85Å; L664-K667 PolarHBondContact O-N 3.08Å; E665-K667 VanDerWaalsContact C-N 3.3Å; E665-K667 PolarHBondContact O-N 3.14Å; K667-R669 VanDerWaalsContact C-N 3.28Å; K667-R669 PolarHBondContact O-N 3.45Å; K667-M670 WeakPolarHBondContact O-CB 3.49Å; K667-M670 PolarHBondContact O-N 3.19Å; K667-M670 VanDerWaalsContact O-N 3.15Å; K667-E671 WeakPolarHBondContact CE-OE1 3.4Å; K667-E671 WeakPolarHBondContact O-CG 3.32Å; K667-E671 PolarHBondContact O-N 3.04Å
668	N	92.9	Very high	90.5	Very high	78 Å²	78	42 Å²	42	42%	0.417	22%	0.215	S	C	.	.	H	α-helix	trans	-60.3	-37.8	178.2	-71.9	-21.8	0	0	0	112.4	L664 E665 L666 Y672	L664-N668 WeakPolarHBondContact O-CB 3.49Å; L664-N668 PolarHBondContact O-N 2.91Å; L664-N668 PolarHBondContact O-ND2 3.07Å; E665-N668 PolarHBondContact O-N 2.83Å; L666-N668 PolarHBondContact O-N 2.81Å; N668-Y672 WeakPolarHBondContact O-CB 3.21Å; N668-Y672 PolarHBondContact O-N 2.72Å
669	R	94.6	Very high	90.1	Very high	43 Å²	43	40.4 Å²	40.4	16%	0.162	21%	0.205	C	C	.	.	H	α-helix	trans	-69.3	-39.9	176.9	-62.1	-67.2	169.7	136.8	11.8	111.7	F622 D625 T627 I629 E665 L666 K667 Y672 A673	F622-R669 HydrophobicContact CE2-CB 4.04Å; F622-R669 HydrophobicContact CE2-CG 4.24Å; F622-R669 HydrophobicContact CZ-CB 3.92Å; F622-R669 VanDerWaalsContact CZ-CD 3.42Å; F622-R669 HydrophobicContact CZ-CG 4.24Å; D625-R669 VanDerWaalsContact CG-NH2 3.31Å; D625-R669 IonicContact OD1-CZ 2.8Å; D625-R669 IonicContact OD1-NH1 2.92Å; D625-R669 PolarHBondContact OD1-NH1 3.22Å; D625-R669 IonicContact OD1-NH2 3.56Å; D625-R669 IonicContact OD2-CZ 3.87Å; D625-R669 IonicContact OD2-NH1 2.61Å; D625-R669 PolarHBondContact OD2-NH1 3.04Å; D625-R669 IonicContact OD2-NH2 3.54Å; D625-R669 PolarHBondContact OD2-NH2 3.02Å; T627-R669 PolarHBondContact OG1-NH1 3.35Å; I629-R669 HydrophobicContact CD1-CB 3.29Å; I629-R669 HydrophobicContact CD1-CG 4.49Å; I629-R669 HydrophobicContact CG1-CB 4.2Å; E665-R669 VanDerWaalsContact O-CG 3.25Å; E665-R669 WeakPolarHBondContact O-CG 3.46Å; E665-R669 PolarHBondContact O-N 3.2Å; E665-R669 VanDerWaalsContact O-N 3.1Å; E665-R669 IonicContact OE1-NH2 2.8Å; L666-R669 PolarHBondContact O-N 3.42Å; K667-R669 VanDerWaalsContact C-N 3.28Å; K667-R669 PolarHBondContact O-N 3.45Å; R669-Y672 PolarHBondContact O-N 2.95Å; R669-A673 VanDerWaalsContact O-CB 3.3Å; R669-A673 WeakPolarHBondContact O-CB 3.24Å; R669-A673 PolarHBondContact O-N 3.03Å
670	M	94.8	Very high	89.2	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.5	-44.5	173.8	-72.7	173.1	68.5	0	0	111.3	L476 L480 M483 I629 L640 L666 K667 A673 L674	L476-M670 HydrophobicContact CD1-CB 4.12Å; L476-M670 HydrophobicContact CD1-CE 3.54Å; L476-M670 HydrophobicContact CD1-CG 4.29Å; L480-M670 HydrophobicContact CD1-CB 4.18Å; L480-M670 HydrophobicContact CD2-CB 3.83Å; L480-M670 HydrophobicContact CD2-CE 4.18Å; L480-M670 HydrophobicContact CG-CB 4.3Å; L480-M670 HydrophobicContact CG-CE 4.25Å; M483-M670 HydrophobicContact CE-CE 4.02Å; I629-M670 HydrophobicContact CD1-CG 3.95Å; L640-M670 HydrophobicContact CD1-CE 3.9Å; L640-M670 HydrophobicContact CD1-CG 3.69Å; L640-M670 HydrophobicContact CD1-SD 3.71Å; L666-M670 HydrophobicContact CD1-CG 4.27Å; L666-M670 HydrophobicContact CD1-SD 4.39Å; L666-M670 HydrophobicContact CG-SD 4.1Å; L666-M670 VanDerWaalsContact O-CG 3.3Å; L666-M670 WeakPolarHBondContact O-CG 3.38Å; L666-M670 PolarHBondContact O-N 3.46Å; K667-M670 WeakPolarHBondContact O-CB 3.49Å; K667-M670 PolarHBondContact O-N 3.19Å; K667-M670 VanDerWaalsContact O-N 3.15Å; M670-A673 PolarHBondContact O-N 2.82Å; M670-L674 PolarHBondContact O-N 2.81Å
671	E	94.8	Very high	87.6	Confident	75 Å²	75	36.4 Å²	36.4	35%	0.35	19%	0.186	S	C	.	.	H	α-helix	trans	-61.5	-44.5	175.5	-73	174.6	-177.4	0	0	111.7	L480 K667 A673 L674 N675	L480-E671 HydrophobicContact CD1-CG 4.03Å; L480-E671 HydrophobicContact CD2-CG 3.91Å; K667-E671 WeakPolarHBondContact CE-OE1 3.4Å; K667-E671 WeakPolarHBondContact O-CG 3.32Å; K667-E671 PolarHBondContact O-N 3.04Å; E671-A673 VanDerWaalsContact C-N 3.33Å; E671-A673 PolarHBondContact O-N 3.05Å; E671-L674 PolarHBondContact O-N 3.28Å; E671-N675 WeakPolarHBondContact O-CB 3.4Å; E671-N675 PolarHBondContact O-N 2.81Å; E671-N675 PolarHBondContact O-ND2 2.92Å
672	Y	93.9	Very high	85.4	Confident	32 Å²	32	44.7 Å²	44.7	13%	0.125	23%	0.231	C	C	.	.	H	α-helix	trans	-61.4	-43.4	175.5	-168.7	-89	0	0	0	111.8	I442 S605 K607 A608 F622 N668 R669 N675 M676	I442-Y672 HydrophobicContact CD1-CD2 4.16Å; I442-Y672 HydrophobicContact CD1-CE1 4.4Å; I442-Y672 HydrophobicContact CD1-CE2 3.81Å; I442-Y672 HydrophobicContact CG1-CE2 4.08Å; I442-Y672 WeakPolarHBondContact CG2-OH 3.39Å; S605-Y672 WeakPolarHBondContact CB-OH 3.36Å; S605-Y672 PolarHBondContact OG-OH 2.94Å; K607-Y672 HydrophobicContact CB-CE2 4.46Å; K607-Y672 HydrophobicContact CD-CE2 3.9Å; A608-Y672 HydrophobicContact CB-CD1 4.45Å; A608-Y672 HydrophobicContact CB-CE1 3.81Å; F622-Y672 AromaticContact CE1-CD1 3.53Å; F622-Y672 HydrophobicContact CE1-CD1 3.53Å; F622-Y672 HydrophobicContact CE1-CE1 4.16Å; F622-Y672 HydrophobicContact CE1-CG 4.01Å; F622-Y672 HydrophobicContact CZ-CD1 4.08Å; N668-Y672 WeakPolarHBondContact O-CB 3.21Å; N668-Y672 PolarHBondContact O-N 2.72Å; R669-Y672 PolarHBondContact O-N 2.95Å; Y672-N675 PolarHBondContact O-N 3.08Å; Y672-M676 HydrophobicContact CD1-CG 4.03Å; Y672-M676 HydrophobicContact CD1-SD 4.03Å; Y672-M676 HydrophobicContact CE1-CG 3.72Å; Y672-M676 HydrophobicContact CE1-SD 3.51Å; Y672-M676 VanDerWaalsContact CE1-SD 3.51Å; Y672-M676 WeakPolarHBondContact O-CG 3.46Å; Y672-M676 PolarHBondContact O-N 2.96Å
673	A	93.9	Very high	85.1	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.8	-40.8	177.9	0	0	0	0	0	112.1	L476 F618 V620 R669 M670 E671 M676 L677	L476-A673 HydrophobicContact CD2-CB 4.35Å; F618-A673 HydrophobicContact CE1-CB 3.88Å; F618-A673 HydrophobicContact CZ-CB 4.09Å; V620-A673 HydrophobicContact CB-CB 4.46Å; V620-A673 HydrophobicContact CG2-CB 3.8Å; R669-A673 VanDerWaalsContact O-CB 3.3Å; R669-A673 WeakPolarHBondContact O-CB 3.24Å; R669-A673 PolarHBondContact O-N 3.03Å; M670-A673 PolarHBondContact O-N 2.82Å; E671-A673 VanDerWaalsContact C-N 3.33Å; E671-A673 PolarHBondContact O-N 3.05Å; A673-M676 PolarHBondContact O-N 3.33Å; A673-L677 PolarHBondContact O-N 3.43Å; A673-L677 VanDerWaalsContact O-N 3.09Å
674	L	92.9	Very high	84.9	Confident	14 Å²	14	48.2 Å²	48.2	7%	0.073	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-45.5	172.5	178.2	60.8	0	0	0	111.1	A473 L476 R477 L480 M670 E671 M676 L677 L678	A473-L674 HydrophobicContact CB-CD1 4.13Å; A473-L674 WeakPolarHBondContact O-CD1 3.32Å; L476-L674 HydrophobicContact CB-CD1 4.48Å; L476-L674 HydrophobicContact CD2-CB 3.79Å; L476-L674 HydrophobicContact CG-CB 4.19Å; R477-L674 HydrophobicContact CB-CD1 4.2Å; R477-L674 HydrophobicContact CB-CD2 3.91Å; R477-L674 HydrophobicContact CG-CD2 4.37Å; L480-L674 HydrophobicContact CD1-CB 4.22Å; L480-L674 HydrophobicContact CD1-CD2 3.87Å; M670-L674 PolarHBondContact O-N 2.81Å; E671-L674 PolarHBondContact O-N 3.28Å; L674-M676 VanDerWaalsContact C-N 3.32Å; L674-M676 PolarHBondContact O-N 3.04Å; L674-L677 WeakPolarHBondContact O-CB 3.23Å; L674-L677 PolarHBondContact O-N 3.41Å; L674-L678 HydrophobicContact CD1-CD1 4.09Å; L674-L678 HydrophobicContact CD1-CD2 4.45Å; L674-L678 HydrophobicContact CD1-CG 4.09Å; L674-L678 HydrophobicContact CG-CD1 3.9Å; L674-L678 HydrophobicContact CG-CG 4.33Å; L674-L678 VanDerWaalsContact O-CG 3.31Å; L674-L678 WeakPolarHBondContact O-CG 3.39Å; L674-L678 PolarHBondContact O-N 3.32Å
675	N	90.4	Very high	84.6	Confident	48 Å²	48	44.7 Å²	44.7	26%	0.257	23%	0.228	S	C	.	.	H	α-helix	trans	-61.2	-39.9	177.8	-74.5	-31.2	0	0	0	112	I442 E671 Y672 L677 L678 Q679	I442-N675 HydrophobicContact CD1-CB 3.52Å; E671-N675 WeakPolarHBondContact O-CB 3.4Å; E671-N675 PolarHBondContact O-N 2.81Å; E671-N675 PolarHBondContact O-ND2 2.92Å; Y672-N675 PolarHBondContact O-N 3.08Å; N675-L677 VanDerWaalsContact C-N 3.32Å; N675-L677 PolarHBondContact O-N 3.35Å; N675-L678 PolarHBondContact O-N 2.75Å; N675-Q679 WeakPolarHBondContact O-CB 3.32Å; N675-Q679 WeakPolarHBondContact O-CG 3.46Å; N675-Q679 PolarHBondContact O-N 2.87Å
676	M	88.9	Confident	84.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.3	-38.4	172.4	-71.3	-165.8	78	0	0	112.6	I442 M444 L603 A608 M610 V620 Y672 A673 L674	I442-M676 HydrophobicContact CD1-CG 3.97Å; M444-M676 HydrophobicContact CE-CE 4.37Å; L603-M676 HydrophobicContact CB-CE 4.26Å; A608-M676 HydrophobicContact CB-SD 4.08Å; M610-M676 HydrophobicContact CB-CE 3.44Å; M610-M676 VanDerWaalsContact CB-CE 3.44Å; M610-M676 HydrophobicContact CB-SD 3.87Å; V620-M676 HydrophobicContact CG1-SD 4.23Å; Y672-M676 HydrophobicContact CD1-CG 4.03Å; Y672-M676 HydrophobicContact CD1-SD 4.03Å; Y672-M676 HydrophobicContact CE1-CG 3.72Å; Y672-M676 HydrophobicContact CE1-SD 3.51Å; Y672-M676 VanDerWaalsContact CE1-SD 3.51Å; Y672-M676 WeakPolarHBondContact O-CG 3.46Å; Y672-M676 PolarHBondContact O-N 2.96Å; A673-M676 PolarHBondContact O-N 3.33Å; L674-M676 VanDerWaalsContact C-N 3.32Å; L674-M676 PolarHBondContact O-N 3.04Å
677	L	86.3	Confident	83.9	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-68.1	-35.5	176.3	-84.9	164	0	0	0	113.2	A469 V472 A473 L476 M610 F618 A673 L674 N675 R680	A469-L677 HydrophobicContact CB-CD2 4.48Å; V472-L677 HydrophobicContact CB-CD1 4.45Å; V472-L677 HydrophobicContact CG1-CD1 3.8Å; A473-L677 HydrophobicContact CB-CB 4.33Å; L476-L677 HydrophobicContact CD2-CD1 4.44Å; M610-L677 HydrophobicContact CE-CD2 3.7Å; M610-L677 HydrophobicContact CE-CG 3.99Å; F618-L677 HydrophobicContact CD1-CD1 4.12Å; F618-L677 HydrophobicContact CD2-CD1 4.11Å; F618-L677 HydrophobicContact CD2-CD2 3.9Å; F618-L677 HydrophobicContact CD2-CG 4.12Å; F618-L677 HydrophobicContact CE1-CD1 3.67Å; F618-L677 HydrophobicContact CE1-CG 4.28Å; F618-L677 HydrophobicContact CE2-CD1 3.66Å; F618-L677 HydrophobicContact CE2-CD2 3.59Å; F618-L677 HydrophobicContact CE2-CG 3.42Å; F618-L677 VanDerWaalsContact CE2-CG 3.42Å; F618-L677 HydrophobicContact CG-CD1 4.31Å; F618-L677 HydrophobicContact CZ-CD1 3.42Å; F618-L677 VanDerWaalsContact CZ-CD1 3.42Å; F618-L677 HydrophobicContact CZ-CD2 4.21Å; F618-L677 HydrophobicContact CZ-CG 3.52Å; A673-L677 PolarHBondContact O-N 3.43Å; A673-L677 VanDerWaalsContact O-N 3.09Å; L674-L677 WeakPolarHBondContact O-CB 3.23Å; L674-L677 PolarHBondContact O-N 3.41Å; N675-L677 VanDerWaalsContact C-N 3.32Å; N675-L677 PolarHBondContact O-N 3.35Å; L677-R680 WeakPolarHBondContact O-CB 3.34Å; L677-R680 WeakPolarHBondContact O-CD 3.41Å; L677-R680 WeakPolarHBondContact O-CG 3.4Å; L677-R680 PolarHBondContact O-NH1 2.65Å
678	L	84.6	Confident	83.3	Confident	61 Å²	61	45.3 Å²	45.3	32%	0.319	24%	0.236	S	C	.	.	H	α-helix	trans	-79.8	-37.2	-178.2	-64.6	172.2	0	0	0	112.3	A473 L674 N675 R680	A473-L678 HydrophobicContact CB-CD2 4.27Å; L674-L678 HydrophobicContact CD1-CD1 4.09Å; L674-L678 HydrophobicContact CD1-CD2 4.45Å; L674-L678 HydrophobicContact CD1-CG 4.09Å; L674-L678 HydrophobicContact CG-CD1 3.9Å; L674-L678 HydrophobicContact CG-CG 4.33Å; L674-L678 VanDerWaalsContact O-CG 3.31Å; L674-L678 WeakPolarHBondContact O-CG 3.39Å; L674-L678 PolarHBondContact O-N 3.32Å; N675-L678 PolarHBondContact O-N 2.75Å; L678-R680 PolarHBondContact O-N 3.17Å
679	Q	78.6	Confident	82.6	Confident	29 Å²	29	42.9 Å²	42.9	14%	0.136	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-79.5	6.8	178.4	-63.7	179.9	24.6	0	0	112.7	N675 C681 N682	N675-Q679 WeakPolarHBondContact O-CB 3.32Å; N675-Q679 WeakPolarHBondContact O-CG 3.46Å; N675-Q679 PolarHBondContact O-N 2.87Å; Q679-C681 PolarHBondContact O-N 3.43Å; Q679-N682 PolarHBondContact O-N 3.18Å
680	R	68	Low	81.7	Confident	26 Å²	26	42.9 Å²	42.9	10%	0.098	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-64.2	-25.4	179.6	77.9	-177.5	-176.5	-99.8	1.2	114.2	A469 D470 L603 L677 L678	A469-R680 VanDerWaalsContact CB-NE 3.35Å; D470-R680 IonicContact OD1-CZ 3.26Å; D470-R680 IonicContact OD1-NH1 3.06Å; D470-R680 IonicContact OD1-NH2 2.68Å; D470-R680 PolarHBondContact OD1-NH2 3.18Å; D470-R680 IonicContact OD2-NH2 3Å; D470-R680 PolarHBondContact OD2-NH2 3.06Å; L603-R680 HydrophobicContact CD1-CB 3.81Å; L677-R680 WeakPolarHBondContact O-CB 3.34Å; L677-R680 WeakPolarHBondContact O-CD 3.41Å; L677-R680 WeakPolarHBondContact O-CG 3.4Å; L677-R680 PolarHBondContact O-NH1 2.65Å; L678-R680 PolarHBondContact O-N 3.17Å
681	C	51.7	Low	80.6	Confident	98 Å²	98	46.5 Å²	46.5	66%	0.662	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-97.7	-11.5	-175.2	-61.6	0	0	0	0	113.8	Q679	Q679-C681 PolarHBondContact O-N 3.43Å
682	N	42.9	Very low	79.3	Confident	175 Å²	175	43.9 Å²	43.9	94%	0.936	24%	0.237	S	C	*	.			trans	-94.2	0	176.6	-67.9	-19.5	0	0	0	110	Q679	Q679-N682 PolarHBondContact O-N 3.18Å

Retrieved 682 of 682 residues in 733.2 ms (Link to these results)

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