X2JLM6_DROME Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession X2JLM6, Species DROME (Drosophila melanogaster, Fruit fly), Gene Usp2, Length 565 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	30.3	Very low	25.7	Very low	152 Å²	152	145.6 Å²	145.6	75%	0.749	75%	0.747	S	S	*	*				0	170.5	0	-64.4	179.3	-176.1	0	0	110	V3 N352 D355	M1-V3 PolarHBondContact O-N 2.9Å; M1-N352 PolarHBondContact N-OD1 3.07Å; M1-D355 WeakPolarHBondContact CE-OD1 3.23Å; M1-D355 WeakPolarHBondContact CE-OD2 3.25Å
2	R	20.8	Very low	25.7	Very low	244 Å²	244	142.5 Å²	142.5	92%	0.921	75%	0.747	S	S	*	*			trans	-75.5	107.8	162.1	-82.1	-172.4	177.7	177	0	108.3	I4	R2-I4 PolarHBondContact O-N 3.45Å
3	V	25.6	Very low	25.7	Very low	90 Å²	90	139.8 Å²	139.8	55%	0.545	76%	0.759	S	S	.	*			trans	-66.3	115.2	173	-179.9	0	0	0	0	108.2	M1 A5 L351	M1-V3 PolarHBondContact O-N 2.9Å; V3-A5 PolarHBondContact O-N 3.19Å; V3-L351 WeakPolarHBondContact CG2-O 3.33Å
4	I	27.1	Very low	25.8	Very low	141 Å²	141	137.1 Å²	137.1	72%	0.723	77%	0.765	S	S	*	*			trans	-80.8	115.1	173	-61.8	176.4	0	0	0	106.5	R2	R2-I4 PolarHBondContact O-N 3.45Å
5	A	23.3	Very low	25.7	Very low	75 Å²	75	133.4 Å²	133.4	62%	0.62	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-54.9	143.8	173.7	0	0	0	0	0	110.4	V3 R7	V3-A5 PolarHBondContact O-N 3.19Å; A5-R7 PolarHBondContact O-N 2.85Å
6	P	25.2	Very low	25.8	Very low	127 Å²	127	133.3 Å²	133.3	83%	0.825	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-55.3	116.8	-173.6	21.3	-33.2	0	0	0	110.6	R8	P6-R8 PolarHBondContact O-N 3.4Å
7	R	25.8	Very low	25.7	Very low	232 Å²	232	130.2 Å²	130.2	88%	0.875	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-63.5	124.5	176.8	-84.8	-170.9	167.7	-148.6	-2.3	108.7	A5 S9	A5-R7 PolarHBondContact O-N 2.85Å; R7-S9 PolarHBondContact O-N 3.47Å
8	R	26.2	Very low	25.6	Very low	232 Å²	232	128.9 Å²	128.9	88%	0.875	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-55.6	123.9	164.9	-66.2	179.9	173.4	-144.4	-5.3	108.4	P6 S10	P6-R8 PolarHBondContact O-N 3.4Å; R8-S10 PolarHBondContact O-N 3.3Å
9	S	26	Very low	25.6	Very low	112 Å²	112	131.3 Å²	131.3	78%	0.783	79%	0.787	S	S	*	*			trans	-73.7	79.4	169.9	50.3	0	0	0	0	109.2	R7 T11	R7-S9 PolarHBondContact O-N 3.47Å; S9-T11 PolarHBondContact O-N 3.1Å
10	S	26	Very low	25.6	Very low	102 Å²	102	135.8 Å²	135.8	71%	0.713	79%	0.791	S	S	*	*			trans	-85.3	86.1	179.1	56.4	0	0	0	0	110.9	R8 S12	R8-S10 PolarHBondContact O-N 3.3Å; S10-S12 PolarHBondContact O-N 3.41Å
11	T	26.6	Very low	25.6	Very low	95 Å²	95	133.1 Å²	133.1	58%	0.583	79%	0.792	S	S	*	*			trans	-76.5	81.5	172.7	42.2	0	0	0	0	110.2	S9 E472	S9-T11 PolarHBondContact O-N 3.1Å; T11-E472 VanDerWaalsContact CG2-OE1 3.26Å; T11-E472 WeakPolarHBondContact CG2-OE1 3.25Å
12	S	25.5	Very low	25.5	Very low	108 Å²	108	132 Å²	132	76%	0.755	79%	0.794	S	S	*	*			trans	-151.8	109.2	177.3	-65.5	0	0	0	0	112.9	S10	S10-S12 PolarHBondContact O-N 3.41Å
13	A	25.4	Very low	25.8	Very low	108 Å²	108	126.4 Å²	126.4	89%	0.893	79%	0.792	S	S	*	*			trans	27.3	115.7	153.5	0	0	0	0	0	120.3
14	A	26.9	Very low	25.9	Very low	102 Å²	102	126.6 Å²	126.6	84%	0.843	80%	0.804	S	S	*	*			trans	-124.4	112.1	146.2	0	0	0	0	0	108.5
15	G	24.1	Very low	26	Very low	81 Å²	81	126.5 Å²	126.5	84%	0.835	81%	0.809	S	S	*	*			trans	-85.5	130.9	-178.6	0	0	0	0	0	112.5	G17	G15-G17 PolarHBondContact O-N 3.27Å
16	S	27.4	Very low	26.2	Very low	131 Å²	131	126.7 Å²	126.7	92%	0.916	82%	0.818	S	S	*	*			trans	-91.2	88.8	179.4	-58.9	0	0	0	0	112.1
17	G	24.7	Very low	26.5	Very low	81 Å²	81	126.9 Å²	126.9	84%	0.835	82%	0.817	S	S	*	*			trans	-91.5	111.2	168.2	0	0	0	0	0	111.4	G15	G15-G17 PolarHBondContact O-N 3.27Å
18	S	24.6	Very low	26.6	Very low	108 Å²	108	121.9 Å²	121.9	76%	0.755	82%	0.818	S	S	*	*			trans	-89	133.8	175.6	-178.2	0	0	0	0	111.5
19	L	25.2	Very low	26.9	Very low	174 Å²	174	117 Å²	117	91%	0.911	82%	0.819	S	S	*	*			trans	-149.1	139.2	164.8	-106.6	170.3	0	0	0	110.8
20	Y	26.1	Very low	27	Very low	221 Å²	221	114.9 Å²	114.9	87%	0.867	82%	0.815	S	S	*	*			trans	-83	156.1	179.4	-84.5	-110.8	0	0	0	112
21	G	25.3	Very low	27.2	Very low	79 Å²	79	115 Å²	115	81%	0.814	82%	0.816	S	S	*	*			trans	-171.9	97.7	169.3	0	0	0	0	0	113.9
22	T	26.9	Very low	27.4	Very low	129 Å²	129	116.5 Å²	116.5	79%	0.791	83%	0.825	S	S	*	*			trans	-107.2	126.9	178.9	49.5	0	0	0	0	112.7
23	S	27.5	Very low	27.6	Very low	126 Å²	126	116.9 Å²	116.9	88%	0.881	82%	0.824	S	S	*	*			trans	174.9	155.3	162.4	-85	0	0	0	0	109.6
24	A	27.9	Very low	27.8	Very low	95 Å²	95	116.8 Å²	116.8	79%	0.785	82%	0.816	S	S	*	*			cis	-162.5	176.5	-20.9	0	0	0	0	0	108.5
25	V	29.6	Very low	28	Very low	138 Å²	138	116.5 Å²	116.5	84%	0.836	81%	0.808	S	S	*	*			trans	-75	146.9	-175.9	176.7	0	0	0	0	112.9	T27	V25-T27 HydrophobicContact CG1-CG2 4.27Å
26	G	27.4	Very low	28.3	Very low	79 Å²	79	120.3 Å²	120.3	81%	0.814	81%	0.809	S	S	*	*			trans	-151.1	122.3	164.4	0	0	0	0	0	112.1
27	T	30.4	Very low	28.5	Very low	131 Å²	131	119.6 Å²	119.6	80%	0.804	81%	0.805	S	S	*	*			trans	-122.7	138.9	-176	49.7	0	0	0	0	112.3	V25	V25-T27 HydrophobicContact CG1-CG2 4.27Å
28	S	29.4	Very low	28.7	Very low	127 Å²	127	122 Å²	122	89%	0.888	80%	0.803	S	S	*	*			trans	-153.3	164.1	160.5	58.1	0	0	0	0	111.1
29	S	32.3	Very low	29.1	Very low	129 Å²	129	123 Å²	123	90%	0.902	81%	0.81	S	S	*	*			trans	-135	162	-158.8	52.8	0	0	0	0	113.8
30	G	28.4	Very low	29.3	Very low	68 Å²	68	118.4 Å²	118.4	70%	0.701	81%	0.805	S	S	*	*			trans	-179.1	106	172.1	0	0	0	0	0	116.6
31	S	29.6	Very low	29.6	Very low	104 Å²	104	112.8 Å²	112.8	73%	0.727	80%	0.798	S	S	*	*			trans	21.6	119.9	138.3	50	0	0	0	0	120
32	T	29.9	Very low	30	Very low	127 Å²	127	117.7 Å²	117.7	78%	0.779	80%	0.799	S	S	*	*				57.4	139.9	83.4	66.4	0	0	0	0	114.6
33	T	30.3	Very low	30.2	Very low	117 Å²	117	119.7 Å²	119.7	72%	0.718	80%	0.799	S	S	*	*			cis	-168	164.7	40.5	-30.6	0	0	0	0	112.2
34	S	30.3	Very low	30.5	Very low	106 Å²	106	120.6 Å²	120.6	74%	0.741	79%	0.792	S	S	*	*			trans	62.5	159	150.5	55	0	0	0	0	121.6
35	S	30.5	Very low	30.6	Very low	96 Å²	96	120.7 Å²	120.7	67%	0.671	79%	0.787	S	S	*	*			cis	-177.1	136.2	-34.6	56.1	0	0	0	0	111.7
36	N	31	Very low	30.8	Very low	160 Å²	160	121.4 Å²	121.4	86%	0.856	79%	0.785	S	S	*	*			trans	59.1	168.9	166.6	-59.9	-8.5	0	0	0	116.2
37	S	30.6	Very low	31.2	Very low	117 Å²	117	123.9 Å²	123.9	82%	0.818	78%	0.784	S	S	*	*			cis	-143.3	166.7	11.1	-53.2	0	0	0	0	112.8
38	T	30.4	Very low	31.2	Very low	132 Å²	132	121 Å²	121	81%	0.81	78%	0.781	S	S	*	*			trans	-79.2	153.3	175.3	42.7	0	0	0	0	115.4
39	S	32.8	Very low	31.5	Very low	127 Å²	127	121 Å²	121	89%	0.888	78%	0.781	S	S	*	*				152.6	152.4	127.5	-66.5	0	0	0	0	113.8
40	G	29.4	Very low	31.4	Very low	78 Å²	78	118.9 Å²	118.9	80%	0.804	78%	0.78	S	S	*	*			trans	140.1	98.9	160.3	0	0	0	0	0	117
41	S	32.7	Very low	31.7	Very low	103 Å²	103	119.9 Å²	119.9	72%	0.72	78%	0.781	S	S	*	*			trans	-94.7	-179.5	-172.2	-54.4	0	0	0	0	115.8
42	H	32.3	Very low	32.1	Very low	182 Å²	182	121.7 Å²	121.7	84%	0.843	79%	0.788	S	S	*	*			trans	82	124.3	167.3	-48.8	-76.2	0	0	0	117
43	H	31.4	Very low	32.1	Very low	172 Å²	172	122.6 Å²	122.6	80%	0.796	79%	0.788	S	S	*	*			cis	99.5	133.4	3.4	-145	-47.3	0	0	0	117.4
44	I	33.3	Very low	32.3	Very low	144 Å²	144	127.6 Å²	127.6	74%	0.738	79%	0.793	S	S	*	*			trans	83.5	144.7	170.4	-51.4	-174.9	0	0	0	116.3
45	S	31.7	Very low	32.3	Very low	97 Å²	97	129.8 Å²	129.8	68%	0.678	80%	0.802	S	S	*	*			cis	-177.9	-173.6	-33.8	-80.4	0	0	0	0	109.5
46	I	32.5	Very low	32.3	Very low	154 Å²	154	131.1 Å²	131.1	79%	0.79	81%	0.812	S	S	*	*			trans	85.5	153.7	158.7	-60.5	166.2	0	0	0	117
47	T	35.9	Very low	32.2	Very low	130 Å²	130	127.5 Å²	127.5	80%	0.798	81%	0.812	S	S	*	*				-171.3	147	-83.3	35.5	0	0	0	0	113.3
48	G	29.8	Very low	32	Very low	71 Å²	71	126 Å²	126	73%	0.732	82%	0.815	S	S	*	*			trans	91.8	171.6	158	0	0	0	0	0	118.3
49	S	35.6	Very low	31.8	Very low	128 Å²	128	124.8 Å²	124.8	90%	0.895	82%	0.818	S	S	*	*			cis	-173.6	132.8	-18.9	-92.7	0	0	0	0	113.1
50	G	31.4	Very low	31.6	Very low	84 Å²	84	123.8 Å²	123.8	87%	0.866	82%	0.818	S	S	*	*			trans	74	172.4	162	0	0	0	0	0	118.5
51	A	34.7	Very low	31.5	Very low	89 Å²	89	125.7 Å²	125.7	74%	0.736	81%	0.814	S	S	*	*			cis	-170.1	157.2	-21.3	0	0	0	0	0	111.7
52	V	37.2	Very low	31.4	Very low	142 Å²	142	128.6 Å²	128.6	86%	0.861	82%	0.821	S	S	*	*			trans	57.6	164.7	168.1	-63.6	0	0	0	0	117.8
53	D	30.8	Very low	31.1	Very low	146 Å²	146	123.4 Å²	123.4	78%	0.781	82%	0.817	S	S	*	*			cis	-147.8	-168.5	15.5	-156.4	-6.9	0	0	0	114
54	R	33.3	Very low	30.8	Very low	222 Å²	222	126.6 Å²	126.6	84%	0.838	82%	0.824	S	S	*	*			trans	-97.8	159.1	-171.7	-61.8	167.6	161.5	-178.1	-5	115.6
55	T	31.9	Very low	30.5	Very low	151 Å²	151	125.6 Å²	125.6	93%	0.926	83%	0.83	S	S	*	*			trans	-165.2	-178.1	143.2	3.5	0	0	0	0	112.9
56	S	30.4	Very low	30.2	Very low	125 Å²	125	132.3 Å²	132.3	87%	0.874	84%	0.84	S	S	*	*			trans	-138.8	163.5	-155.3	-50.5	0	0	0	0	115.5
57	G	27.7	Very low	29.8	Very low	84 Å²	84	132.7 Å²	132.7	87%	0.866	84%	0.842	S	S	*	*			trans	99.3	159.7	172.4	0	0	0	0	0	113.8
58	G	27	Very low	29.2	Very low	84 Å²	84	131.3 Å²	131.3	87%	0.866	84%	0.838	S	S	*	*			cis	-168.6	168	-3.5	0	0	0	0	0	109.5
59	A	26.8	Very low	28.9	Very low	108 Å²	108	133.2 Å²	133.2	89%	0.893	84%	0.84	S	S	*	*			trans	-100.8	147.1	-170	0	0	0	0	0	114.5
60	A	28.8	Very low	28.3	Very low	105 Å²	105	130.9 Å²	130.9	87%	0.868	82%	0.824	S	S	*	*			trans	-174.2	149.1	140.3	0	0	0	0	0	113.9
61	T	27.3	Very low	28	Very low	118 Å²	118	137 Å²	137	72%	0.724	82%	0.822	S	S	*	*			trans	-69.3	146.3	175.3	48.7	0	0	0	0	115.2
62	N	29	Very low	27.6	Very low	164 Å²	164	138.9 Å²	138.9	88%	0.877	82%	0.82	S	S	*	*				171.3	162.9	108.3	-96.4	-34.7	0	0	0	115.6
63	G	26.3	Very low	27.1	Very low	74 Å²	74	143.3 Å²	143.3	76%	0.763	82%	0.821	S	S	*	*			trans	95.2	70.5	139.4	0	0	0	0	0	119.4
64	Y	24.7	Very low	26.9	Very low	238 Å²	238	139.6 Å²	139.6	93%	0.933	82%	0.818	S	S	*	*			trans	-82.5	124.6	159.4	-84.4	-78.8	0	0	0	111.5
65	S	26.8	Very low	26.6	Very low	124 Å²	124	134.4 Å²	134.4	87%	0.867	82%	0.816	S	S	*	*			trans	-155.9	152.4	154.3	-84.8	0	0	0	0	110.5
66	R	26.4	Very low	26.4	Very low	238 Å²	238	132.3 Å²	132.3	90%	0.898	81%	0.807	S	S	*	*			trans	-99.7	158	-168.8	-54.9	171.6	179.8	172.3	-1.3	111.1
67	I	24.1	Very low	26.2	Very low	161 Å²	161	133.6 Å²	133.6	83%	0.826	80%	0.803	S	S	*	*				-174.1	131.9	125.1	-100.5	157.8	0	0	0	113.4
68	S	23.3	Very low	26.2	Very low	101 Å²	101	134.1 Å²	134.1	71%	0.706	79%	0.793	S	S	*	*			trans	55.2	154.6	151.2	-63	0	0	0	0	125.5
69	S	23.1	Very low	26.4	Very low	111 Å²	111	137.3 Å²	137.3	78%	0.776	78%	0.783	S	S	*	*			trans	74.2	151.2	154	63.7	0	0	0	0	119.6
70	S	23.8	Very low	26.4	Very low	80 Å²	80	142.1 Å²	142.1	56%	0.559	78%	0.779	S	S	*	*			cis	-179.7	161.6	-44.6	42.7	0	0	0	0	110.1
71	Y	25.6	Very low	26.3	Very low	212 Å²	212	143.6 Å²	143.6	83%	0.831	77%	0.771	S	S	*	*			trans	71.3	154.4	171.9	-47.5	-70.3	0	0	0	115.4
72	D	26.1	Very low	26.8	Very low	128 Å²	128	144 Å²	144	68%	0.684	78%	0.776	S	S	*	*			cis	-160.3	176.1	-10.6	-140.8	-35	0	0	0	112.8
73	R	27.1	Very low	26.8	Very low	235 Å²	235	141.7 Å²	141.7	89%	0.887	77%	0.768	S	S	*	*			trans	70.5	144.9	156.4	-68.2	164.1	-177.1	-161.9	-0.6	119.2
74	G	25.6	Very low	26.9	Very low	69 Å²	69	143.8 Å²	143.8	71%	0.711	77%	0.771	S	S	*	*			cis	168.6	177.2	-7.4	0	0	0	0	0	115.8
75	S	27.1	Very low	27.2	Very low	113 Å²	113	138 Å²	138	79%	0.79	77%	0.765	S	S	*	*			trans	73.5	122.5	-176.9	-126	0	0	0	0	115.4
76	S	27.3	Very low	27.3	Very low	106 Å²	106	136.3 Å²	136.3	74%	0.741	77%	0.767	S	S	*	*			cis	78	137.6	36.9	-51.2	0	0	0	0	112.8
77	L	25.9	Very low	27.3	Very low	153 Å²	153	128.4 Å²	128.4	80%	0.801	76%	0.76	S	S	*	*			cis	-133.7	148.7	25.3	-67.1	154.6	0	0	0	110.3
78	S	29.1	Very low	27.6	Very low	94 Å²	94	126.8 Å²	126.8	66%	0.657	76%	0.763	S	S	*	*				67.3	139.6	57.1	113.9	0	0	0	0	113.5
79	K	30.6	Very low	27.9	Very low	151 Å²	151	129.3 Å²	129.3	66%	0.657	77%	0.769	S	S	*	*			cis	-153.5	-165.1	10.6	-130.9	165.9	167.3	-168.2	0	108
80	W	25.6	Very low	28.2	Very low	209 Å²	209	128.3 Å²	128.3	79%	0.792	76%	0.762	S	S	*	*			cis	-153.7	-173.3	16.5	-106.6	128.2	0	0	0	109.5
81	L	28	Very low	28.4	Very low	136 Å²	136	130.2 Å²	130.2	71%	0.712	78%	0.775	S	S	*	*			trans	-135.8	175.8	164.6	-88.9	164.2	0	0	0	108.7
82	P	37.9	Very low	28.4	Very low	128 Å²	128	123.3 Å²	123.3	83%	0.831	77%	0.768	S	S	*	*				-139.8	175.1	109.8	38.1	-25.8	0	0	0	115.2
83	T	28.4	Very low	28.5	Very low	114 Å²	114	129.1 Å²	129.1	70%	0.699	78%	0.782	S	S	*	*			trans	-143.6	146.5	-164.8	52.6	0	0	0	0	113.4
84	S	29.2	Very low	28.4	Very low	118 Å²	118	121.7 Å²	121.7	83%	0.825	78%	0.779	S	S	*	*			trans	179.9	169.3	154.7	45.6	0	0	0	0	112.1
85	S	31.2	Very low	28.5	Very low	116 Å²	116	123.6 Å²	123.6	81%	0.811	78%	0.781	S	S	*	*				-174.9	133.2	-67.8	48.2	0	0	0	0	112.9
86	G	27.2	Very low	28.5	Very low	89 Å²	89	122.6 Å²	122.6	92%	0.918	77%	0.774	S	S	*	*			trans	83.9	160.5	167.7	0	0	0	0	0	116.7
87	G	26.3	Very low	28.4	Very low	73 Å²	73	128 Å²	128	75%	0.753	78%	0.78	S	S	*	*			cis	171.5	148.9	-11.1	0	0	0	0	0	115.4
88	S	31.4	Very low	28.6	Very low	126 Å²	126	130.3 Å²	130.3	88%	0.881	78%	0.78	S	S	*	*			trans	73.1	123.7	153.4	-52.1	0	0	0	0	123.6
89	N	28.9	Very low	28.8	Very low	155 Å²	155	132 Å²	132	83%	0.829	79%	0.788	S	S	*	*				127.2	150.8	114.7	-138.4	17.7	0	0	0	121.7
90	S	29.3	Very low	28.6	Very low	89 Å²	89	130 Å²	130	62%	0.622	79%	0.789	S	S	*	*			trans	61.8	100.2	152.8	55.7	0	0	0	0	124.6
91	S	29	Very low	28.7	Very low	121 Å²	121	125.8 Å²	125.8	85%	0.846	79%	0.791	S	S	*	*				30.3	138.3	122	62.8	0	0	0	0	124.7
92	G	24.6	Very low	28.7	Very low	66 Å²	66	129.5 Å²	129.5	68%	0.68	80%	0.797	S	S	*	*				141.5	125.8	128.8	0	0	0	0	0	120.4
93	Y	27.9	Very low	28.2	Very low	250 Å²	250	129.3 Å²	129.3	98%	0.98	80%	0.799	S	S	*	*			trans	57.6	152.7	152.9	-75.6	-86	0	0	0	122.8
94	G	25.4	Very low	28.1	Very low	79 Å²	79	129.2 Å²	129.2	81%	0.814	80%	0.798	S	S	*	*			trans	142.9	119.7	164.8	0	0	0	0	0	113.9
95	S	27.6	Very low	28	Very low	110 Å²	110	132.7 Å²	132.7	77%	0.769	80%	0.799	S	S	*	*			trans	-147.4	156.1	-179.4	-171.1	0	0	0	0	112.7
96	S	27.3	Very low	27.8	Very low	92 Å²	92	132.1 Å²	132.1	64%	0.643	80%	0.795	S	S	*	*			trans	67.2	151.5	175.7	-53.5	0	0	0	0	114.6
97	Y	25.9	Very low	27.8	Very low	218 Å²	218	132.8 Å²	132.8	86%	0.855	79%	0.792	S	S	*	*			cis	-148.8	152.4	35	-100.2	-88.2	0	0	0	114.1
98	Y	28.7	Very low	27.8	Very low	203 Å²	203	136.8 Å²	136.8	80%	0.796	80%	0.796	S	S	*	*			trans	-78.3	161.9	150.7	-89.6	-94.2	0	0	0	109.8
99	P	33.8	Very low	27.7	Very low	128 Å²	128	136 Å²	136	83%	0.831	79%	0.79	S	S	*	*				-135.4	142.9	109.9	36.7	-28.3	0	0	0	114.5
100	T	27.3	Very low	27.6	Very low	111 Å²	111	132.3 Å²	132.3	68%	0.681	79%	0.789	S	S	*	*			trans	-86.5	149	165.3	-39.8	0	0	0	0	109.7
101	S	28.2	Very low	27.6	Very low	120 Å²	120	133.9 Å²	133.9	84%	0.839	80%	0.8	S	S	*	*			trans	-139.6	141	160.3	53.5	0	0	0	0	111.5
102	Y	26.6	Very low	27.6	Very low	213 Å²	213	134.1 Å²	134.1	84%	0.835	80%	0.801	S	S	*	*			trans	-95.4	151	178.5	-86	-110.2	0	0	0	110.6
103	S	27.7	Very low	27.7	Very low	124 Å²	124	137 Å²	137	87%	0.867	81%	0.811	S	S	*	*			trans	-159.9	138	136.9	34	0	0	0	0	111.8
104	T	25.8	Very low	27.8	Very low	112 Å²	112	130.2 Å²	130.2	69%	0.687	81%	0.807	S	S	*	*			trans	-102	154.5	171.7	47	0	0	0	0	109.5
105	F	27.4	Very low	27.8	Very low	191 Å²	191	131.7 Å²	131.7	84%	0.838	81%	0.805	S	S	*	*				-179.4	154.5	121.8	-106.5	-68.8	0	0	0	114.5
106	S	27	Very low	27.8	Very low	105 Å²	105	138 Å²	138	73%	0.734	81%	0.814	S	S	*	*			trans	56.7	121	150.3	-63.2	0	0	0	0	121.6
107	A	27.6	Very low	28	Very low	102 Å²	102	137.6 Å²	137.6	84%	0.843	82%	0.816	S	S	*	*			trans	-68.4	168.2	161.4	0	0	0	0	0	113
108	N	26.5	Very low	28.4	Very low	158 Å²	158	133.3 Å²	133.3	85%	0.845	82%	0.815	S	S	*	*			trans	-140.3	155.9	142.3	-160.3	11.6	0	0	0	110.5
109	S	29.5	Very low	28.3	Very low	109 Å²	109	135.8 Å²	135.8	76%	0.762	82%	0.823	S	S	*	*			trans	-94.6	159.5	-179.8	52.2	0	0	0	0	112.2
110	G	27.3	Very low	28	Very low	77 Å²	77	135.3 Å²	135.3	79%	0.794	82%	0.822	S	S	*	*			trans	-167.8	84	-178.2	0	0	0	0	0	112.9
111	S	28.8	Very low	28.1	Very low	122 Å²	122	135.9 Å²	135.9	85%	0.853	83%	0.831	S	S	*	*			trans	-82.9	133.1	176.8	-56.2	0	0	0	0	111.5
112	S	29.3	Very low	28.2	Very low	126 Å²	126	136.3 Å²	136.3	88%	0.881	83%	0.828	S	S	*	*			trans	-145.9	125.8	165.2	-80.8	0	0	0	0	109.9
113	S	27	Very low	28.4	Very low	127 Å²	127	135.6 Å²	135.6	89%	0.888	83%	0.832	S	S	*	*			trans	-107.1	134	-178.2	-59.2	0	0	0	0	111
114	A	28.7	Very low	28.4	Very low	108 Å²	108	140.6 Å²	140.6	89%	0.893	83%	0.832	S	S	*	*			trans	-145.3	118.4	166	0	0	0	0	0	109.5
115	S	25.8	Very low	28.5	Very low	110 Å²	110	140.5 Å²	140.5	77%	0.769	84%	0.836	S	S	*	*			trans	-107.9	143.4	-176.8	50.4	0	0	0	0	111.2
116	Y	27.5	Very low	28.7	Very low	243 Å²	243	136.1 Å²	136.1	95%	0.953	83%	0.829	S	S	*	*			trans	-153.6	147	147.6	-115.1	-76.3	0	0	0	111.1
117	A	32.2	Very low	28.8	Very low	83 Å²	83	137.5 Å²	137.5	69%	0.686	83%	0.833	S	S	*	*			trans	-105.5	161.8	-172.6	0	0	0	0	0	112
118	P	34.4	Very low	28.8	Very low	128 Å²	128	136 Å²	136	83%	0.831	83%	0.827	S	S	*	*			trans	-84	169	-167.1	34.7	-37	0	0	0	113.9
119	R	26.6	Very low	28.9	Very low	255 Å²	255	134 Å²	134	96%	0.962	82%	0.82	S	S	*	*			trans	-116.3	133.7	162.1	-82.8	-170.5	168.8	-148.5	-2.5	111.1
120	S	27.8	Very low	28.9	Very low	118 Å²	118	134.9 Å²	134.9	83%	0.825	82%	0.821	S	S	*	*			trans	-114.7	158.5	165.2	55.1	0	0	0	0	109.6
121	S	28.7	Very low	29	Very low	123 Å²	123	136.1 Å²	136.1	86%	0.86	82%	0.818	S	S	*	*			trans	-142.3	132.3	166.3	50.7	0	0	0	0	110
122	V	30.3	Very low	29	Very low	128 Å²	128	135.3 Å²	135.3	78%	0.776	81%	0.813	S	S	*	*			trans	-129.5	139.5	177.6	175.1	0	0	0	0	107.2
123	Q	30.4	Very low	29	Very low	198 Å²	198	135 Å²	135	93%	0.925	81%	0.805	S	S	*	*			trans	-135.4	152.4	159.7	-78.7	-160.7	-45.7	0	0	110.8
124	R	27.8	Very low	29.3	Very low	229 Å²	229	133.6 Å²	133.6	86%	0.864	80%	0.796	S	S	*	*			trans	-158.7	122.8	-166.3	177.4	-173.4	-173.3	-111.1	5.5	111.5
125	S	29	Very low	29.4	Very low	110 Å²	110	138 Å²	138	77%	0.769	79%	0.791	S	S	*	*			trans	-161.6	148.9	162.7	51.6	0	0	0	0	109.5
126	S	30	Very low	29.6	Very low	99 Å²	99	140.6 Å²	140.6	69%	0.692	79%	0.792	S	S	*	*			cis	89.1	127.8	4	94.3	0	0	0	0	116.4
127	V	30.5	Very low	29.7	Very low	135 Å²	135	134.7 Å²	134.7	82%	0.818	79%	0.787	S	S	*	*			cis	-146.9	138.9	9.5	-176.8	0	0	0	0	111.8
128	G	27.3	Very low	29.5	Very low	69 Å²	69	134.3 Å²	134.3	71%	0.711	79%	0.791	S	S	*	*			trans	97.9	-178.7	134.5	0	0	0	0	0	120.1
129	T	28.7	Very low	29.2	Very low	116 Å²	116	131.7 Å²	131.7	71%	0.712	79%	0.788	S	S	*	*			cis	-169.6	157.6	-32.6	-53.8	0	0	0	0	106.4
130	T	29.6	Very low	29.5	Very low	128 Å²	128	126 Å²	126	79%	0.785	79%	0.787	S	S	*	*			trans	70.3	158.7	170.4	74.9	0	0	0	0	117.3
131	S	29.7	Very low	29.5	Very low	103 Å²	103	124.3 Å²	124.3	72%	0.72	79%	0.788	S	S	*	*			cis	-164.7	143.7	-31.8	-91.2	0	0	0	0	111.1
132	S	28.4	Very low	29.7	Very low	106 Å²	106	124.2 Å²	124.2	74%	0.741	79%	0.787	S	S	*	*			trans	33.2	152.3	144.5	-50	0	0	0	0	125
133	T	29.4	Very low	29.7	Very low	119 Å²	119	124.5 Å²	124.5	73%	0.73	80%	0.795	S	S	*	*			trans	99.2	158.8	157.4	72.1	0	0	0	0	118.9
134	S	32.1	Very low	29.8	Very low	98 Å²	98	120.8 Å²	120.8	69%	0.685	79%	0.791	S	S	*	*			trans	-168.1	120.7	-134.5	53	0	0	0	0	114.7
135	Y	31.2	Very low	29.9	Very low	200 Å²	200	116 Å²	116	78%	0.784	79%	0.792	S	S	*	*			trans	-166	155.2	172.9	10.1	-103.4	0	0	0	107.8
136	M	29.3	Very low	29.9	Very low	164 Å²	164	113.8 Å²	113.8	81%	0.808	78%	0.781	S	S	*	*			cis	169.4	133.5	-20.1	-101.3	-119.5	73	0	0	104.6
137	S	30.7	Very low	29.7	Very low	119 Å²	119	119.5 Å²	119.5	83%	0.832	79%	0.789	S	S	*	*			trans	64.8	157.5	168.5	-53	0	0	0	0	117.3
138	G	27.4	Very low	29.6	Very low	76 Å²	76	125.2 Å²	125.2	78%	0.784	80%	0.796	S	S	*	*			cis	169.5	161.9	-7.9	0	0	0	0	0	112.1
139	G	28.7	Very low	29.6	Very low	73 Å²	73	128.5 Å²	128.5	75%	0.753	80%	0.802	S	S	*	*			trans	94.1	124.5	179.9	0	0	0	0	0	113.1
140	S	31.9	Very low	29.5	Very low	135 Å²	135	128.1 Å²	128.1	94%	0.944	81%	0.805	S	S	*	*			cis	84.1	109.1	44.1	-61.4	0	0	0	0	113.3
141	G	28.7	Very low	29.4	Very low	83 Å²	83	126.5 Å²	126.5	86%	0.856	80%	0.798	S	S	*	*			trans	-179.6	63.2	-177.7	0	0	0	0	0	115.1
142	S	33	Very low	29.4	Very low	120 Å²	120	132.5 Å²	132.5	84%	0.839	81%	0.807	S	S	*	*			trans	-84.9	131	172.7	-57.5	0	0	0	0	111.8
143	S	30.7	Very low	29.4	Very low	134 Å²	134	135.1 Å²	135.1	94%	0.937	81%	0.812	S	S	*	*			trans	-162.2	136.8	156.1	-85.2	0	0	0	0	112
144	S	31.4	Very low	29.4	Very low	120 Å²	120	135.7 Å²	135.7	84%	0.839	82%	0.82	S	S	*	*			trans	-116	135.9	178.5	55.2	0	0	0	0	110.8
145	S	29.5	Very low	29.1	Very low	128 Å²	128	134.1 Å²	134.1	90%	0.895	82%	0.82	S	S	*	*			trans	-157.7	163.9	152.2	-163	0	0	0	0	110.2
146	A	29.3	Very low	29.1	Very low	65 Å²	65	130.4 Å²	130.4	54%	0.537	82%	0.823	S	S	.	*			trans	-139.5	174.6	-165.3	0	0	0	0	0	113.5
147	Y	26.7	Very low	29	Very low	219 Å²	219	127.1 Å²	127.1	86%	0.859	82%	0.816	S	S	*	*			trans	68.9	117.6	169.2	-46.9	-74.3	0	0	0	117.9
148	R	27.2	Very low	28.9	Very low	254 Å²	254	131.5 Å²	131.5	96%	0.958	82%	0.816	S	S	*	*				-157.4	151.1	106.9	-104.6	168.2	-162.8	-129.6	2	111.7
149	T	27.2	Very low	28.9	Very low	138 Å²	138	134.9 Å²	134.9	85%	0.847	82%	0.816	S	S	*	*			trans	-98.4	145.6	179.3	47.5	0	0	0	0	111.3
150	S	26.5	Very low	29	Very low	109 Å²	109	136.2 Å²	136.2	76%	0.762	81%	0.814	S	S	*	*			trans	-158.8	161.4	131.1	-158.5	0	0	0	0	111.2
151	S	28.5	Very low	29.1	Very low	93 Å²	93	135.8 Å²	135.8	65%	0.65	81%	0.808	S	S	*	*			trans	-126.2	147.9	-173.9	55.4	0	0	0	0	111.2
152	Y	29.1	Very low	29.2	Very low	229 Å²	229	138.1 Å²	138.1	90%	0.898	81%	0.806	S	S	*	*			trans	-134.3	150.1	159	-74.7	-73.8	0	0	0	110.8
153	L	28.9	Very low	29	Very low	162 Å²	162	143.5 Å²	143.5	85%	0.848	81%	0.809	S	S	*	*			trans	-125.2	131.7	-169.7	-85.1	163.3	0	0	0	110.9
154	S	29.8	Very low	28.8	Very low	130 Å²	130	141.7 Å²	141.7	91%	0.909	80%	0.796	S	S	*	*			trans	175.4	149.3	149.6	-78.5	0	0	0	0	108.8
155	G	25.6	Very low	28.7	Very low	65 Å²	65	146.5 Å²	146.5	67%	0.67	80%	0.796	S	S	*	*			cis	143.8	119.6	-7.1	0	0	0	0	0	111.8
156	S	30	Very low	28.7	Very low	123 Å²	123	151.5 Å²	151.5	86%	0.86	80%	0.797	S	S	*	*			trans	66.7	156.9	175.7	-57.7	0	0	0	0	115.5
157	S	28.2	Very low	28.6	Very low	95 Å²	95	151.1 Å²	151.1	66%	0.664	80%	0.799	S	S	*	*			cis	-162.9	177.1	-15.6	-104.2	0	0	0	0	110
158	Y	28.6	Very low	28.9	Very low	211 Å²	211	147.2 Å²	147.2	83%	0.827	80%	0.799	S	S	*	*			trans	-8.1	147	160.5	-62	-96.1	0	0	0	118.2
159	D	26.4	Very low	28.9	Very low	146 Å²	146	142.7 Å²	142.7	78%	0.781	79%	0.793	S	S	*	*			cis	-165.4	-176.4	49.9	-142.8	-28.3	0	0	0	115
160	S	31.3	Very low	28.9	Very low	101 Å²	101	140.3 Å²	140.3	71%	0.706	79%	0.787	S	S	*	*			trans	-102.8	156.8	175	-57	0	0	0	0	113.6
161	P	34.2	Very low	28.9	Very low	126 Å²	126	146.9 Å²	146.9	82%	0.818	80%	0.795	S	S	*	*			trans	-111.7	131.3	162.7	34.9	-25.5	0	0	0	113.1
162	T	30.8	Very low	28.9	Very low	133 Å²	133	148.3 Å²	148.3	82%	0.816	81%	0.805	S	S	*	*			trans	-131	131.7	160.8	51.7	0	0	0	0	109.7
163	Y	28.5	Very low	28.7	Very low	233 Å²	233	140.7 Å²	140.7	91%	0.914	80%	0.796	S	S	*	*			trans	176.2	149.2	163.3	-119.1	-127.6	0	0	0	107.4
164	S	27.9	Very low	28.7	Very low	95 Å²	95	140 Å²	140	66%	0.664	80%	0.799	S	S	*	*			cis	-158.7	172.9	-15.3	-129.5	0	0	0	0	112.2
165	R	28.1	Very low	28.6	Very low	221 Å²	221	137.2 Å²	137.2	83%	0.834	79%	0.79	S	S	*	*			trans	-89	146.9	-178.8	168.7	-164.7	-74.7	178.6	-5.4	112.1
166	Y	30.3	Very low	28.7	Very low	233 Å²	233	139.6 Å²	139.6	91%	0.914	80%	0.797	S	S	*	*			trans	-127.9	144.7	143.9	-95.5	-86.3	0	0	0	111.1
167	G	28	Very low	28.6	Very low	57 Å²	57	138.7 Å²	138.7	59%	0.588	79%	0.79	S	S	*	*			trans	-90.9	-171.3	161.3	0	0	0	0	0	110.4
168	T	31.5	Very low	28.6	Very low	137 Å²	137	139.2 Å²	139.2	84%	0.84	79%	0.794	S	S	*	*			cis	-147.2	-175.3	18.5	64.5	0	0	0	0	109.5
169	L	28.6	Very low	28.6	Very low	160 Å²	160	136.4 Å²	136.4	84%	0.838	80%	0.799	S	S	*	*			cis	-141.9	-115	6	-148.9	169.7	0	0	0	110.8
170	A	27.2	Very low	28.7	Very low	88 Å²	88	134 Å²	134	73%	0.727	80%	0.799	S	S	*	*			trans	-163.7	163	-173.8	0	0	0	0	0	112.2
171	R	25.8	Very low	28.5	Very low	247 Å²	247	140.7 Å²	140.7	93%	0.932	81%	0.809	S	S	*	*			trans	-159.4	142.7	136.4	-167.7	158.4	169.1	173.3	-6.8	113
172	S	27.4	Very low	28.1	Very low	122 Å²	122	140 Å²	140	85%	0.853	81%	0.807	S	S	*	*			trans	-72.1	158.8	-170.1	-35.6	0	0	0	0	116.5
173	G	26.1	Very low	28	Very low	69 Å²	69	140.6 Å²	140.6	71%	0.711	81%	0.81	S	S	*	*			trans	-170.8	64.4	175.4	0	0	0	0	0	116.9
174	T	29.6	Very low	28	Very low	148 Å²	148	136.9 Å²	136.9	91%	0.908	81%	0.806	S	S	*	*			trans	16.7	136.6	148	55.2	0	0	0	0	122.5
175	G	25.9	Very low	28.2	Very low	71 Å²	71	137.5 Å²	137.5	73%	0.732	81%	0.808	S	S	*	*			trans	136.3	97.9	134.2	0	0	0	0	0	120.8
176	S	28.3	Very low	28.5	Very low	116 Å²	116	133.1 Å²	133.1	81%	0.811	81%	0.807	S	S	*	*			trans	50.7	108.9	133.4	-53.7	0	0	0	0	124
177	S	28.1	Very low	28.4	Very low	103 Å²	103	130.7 Å²	130.7	72%	0.72	81%	0.807	S	S	*	*				49.8	110.4	124.8	67.9	0	0	0	0	122.8
178	S	28.7	Very low	28.6	Very low	107 Å²	107	133.8 Å²	133.8	75%	0.748	82%	0.815	S	S	*	*				49.3	122.9	129.6	66	0	0	0	0	122.1
179	T	29	Very low	28.5	Very low	152 Å²	152	133.3 Å²	133.3	93%	0.933	81%	0.814	S	S	*	*				-157.5	151.6	125.8	3.1	0	0	0	0	110.3
180	A	27.8	Very low	28.5	Very low	94 Å²	94	131.8 Å²	131.8	78%	0.777	81%	0.811	S	S	*	*			trans	-110.8	139.1	173.3	0	0	0	0	0	110
181	R	26.6	Very low	28.5	Very low	242 Å²	242	133 Å²	133	91%	0.913	81%	0.814	S	S	*	*			trans	-154.7	125.7	161.5	-114.2	168.6	-167	-161.5	1.6	113.4
182	S	26.8	Very low	28.5	Very low	112 Å²	112	125.8 Å²	125.8	78%	0.783	80%	0.802	S	S	*	*			trans	-29.3	141	161.5	51	0	0	0	0	117.4
183	V	28.4	Very low	28.6	Very low	145 Å²	145	130.6 Å²	130.6	88%	0.879	80%	0.801	S	S	*	*			trans	-131.3	139.4	155.8	-178.4	0	0	0	0	108.3
184	L	28.9	Very low	28.6	Very low	156 Å²	156	134.9 Å²	134.9	82%	0.817	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-90.3	156.1	-179.6	-74.4	166.7	0	0	0	111.7
185	P	32.1	Very low	28.6	Very low	108 Å²	108	139.6 Å²	139.6	70%	0.701	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-75.3	147.7	-178.7	31	-35.6	0	0	0	113
186	P	32.4	Very low	28.7	Very low	128 Å²	128	141.6 Å²	141.6	83%	0.831	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-74.3	159.8	170.9	32.2	-34.9	0	0	0	112.3
187	M	28.8	Very low	28.7	Very low	183 Å²	183	147.9 Å²	147.9	90%	0.901	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-88.3	170.6	-172.2	-62	-174.9	72.2	0	0	114.3
188	T	32.7	Very low	28.7	Very low	122 Å²	122	150.2 Å²	150.2	75%	0.748	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-74.4	156.2	178.9	50	0	0	0	0	114
189	P	30.3	Very low	28.9	Very low	127 Å²	127	151 Å²	151	83%	0.825	81%	0.808	S	S	*	*			trans	-108.4	145.7	152	35.5	-27.7	0	0	0	111.8
190	T	26.8	Very low	28.9	Very low	128 Å²	128	146.9 Å²	146.9	79%	0.785	80%	0.796	S	S	*	*			trans	-100.9	146.9	-178.4	-58	0	0	0	0	112.2
191	S	27.1	Very low	29	Very low	112 Å²	112	149 Å²	149	78%	0.783	80%	0.799	S	S	*	*			trans	-3.3	140.1	167.9	-50	0	0	0	0	121.1
192	S	26.1	Very low	29.1	Very low	96 Å²	96	143.5 Å²	143.5	67%	0.671	80%	0.798	S	S	*	*				-172	160.3	121.6	53.2	0	0	0	0	113.8
193	R	29.5	Very low	29.3	Very low	224 Å²	224	150.2 Å²	150.2	85%	0.845	81%	0.806	S	S	*	*			trans	75.6	145.8	163.3	-43	-174	-154.9	-166.3	3.7	116.7
194	Y	26.7	Very low	29.4	Very low	159 Å²	159	149.2 Å²	149.2	62%	0.624	81%	0.806	S	S	*	*			cis	-155	158.5	-6.9	-143.4	-125.5	0	0	0	110.2	D196	Y194-D196 HydrophobicContact CE1-CB 4.16Å; Y194-D196 PolarHBondContact OH-OD2 3.06Å
195	W	29.8	Very low	29.5	Very low	247 Å²	247	146.9 Å²	146.9	94%	0.936	80%	0.802	S	S	*	*			trans	-178.3	84.7	134.4	-86.4	127	0	0	0	109.9
196	D	27.7	Very low	29.4	Very low	113 Å²	113	150 Å²	150	60%	0.604	81%	0.811	S	S	*	*			trans	-77.3	150.7	164.7	-79.6	-56.9	0	0	0	111.2	Y194	Y194-D196 HydrophobicContact CE1-CB 4.16Å; Y194-D196 PolarHBondContact OH-OD2 3.06Å
197	R	28.8	Very low	29.2	Very low	248 Å²	248	147.5 Å²	147.5	94%	0.936	81%	0.808	S	S	*	*			trans	-149.9	109.8	159.6	-165.7	174.4	-173.7	-179.2	1.5	110.9
198	D	28.6	Very low	29.2	Very low	152 Å²	152	145.3 Å²	145.3	81%	0.813	81%	0.806	S	S	*	*			trans	-59.2	149.8	-178.5	-78.3	-68.7	0	0	0	115
199	S	32.3	Very low	29.2	Very low	124 Å²	124	145.6 Å²	145.6	87%	0.867	81%	0.813	S	S	*	*			trans	-160.9	103.3	146.6	-80.3	0	0	0	0	113
200	G	28	Very low	29.3	Very low	65 Å²	65	145 Å²	145	67%	0.67	81%	0.811	S	S	*	*			trans	69.1	91	133.2	0	0	0	0	0	120.5
201	T	30.6	Very low	29.5	Very low	137 Å²	137	142.8 Å²	142.8	84%	0.84	81%	0.806	S	S	*	*				40.3	118.8	128.7	54.3	0	0	0	0	120.8
202	S	29.3	Very low	29.8	Very low	127 Å²	127	145.7 Å²	145.7	89%	0.888	81%	0.812	S	S	*	*				-163.3	153.1	109.9	-84.4	0	0	0	0	112.3
203	R	30.4	Very low	29.9	Very low	253 Å²	253	149.2 Å²	149.2	96%	0.955	82%	0.823	S	S	*	*			trans	-118.9	135.6	175.6	-73.6	176.9	170.5	175.2	-4	110
204	S	31	Very low	29.9	Very low	125 Å²	125	142.8 Å²	142.8	87%	0.874	81%	0.813	S	S	*	*			trans	-153.3	150.7	151.9	54.9	0	0	0	0	109.8
205	S	29.5	Very low	30.2	Very low	106 Å²	106	140.2 Å²	140.2	74%	0.741	82%	0.818	S	S	*	*			trans	-152.4	178.2	-176.4	59.4	0	0	0	0	110.2
206	I	31.1	Very low	30.3	Very low	173 Å²	173	134.5 Å²	134.5	89%	0.887	82%	0.816	S	S	*	*			trans	84.6	133.8	177.7	-52.4	162.5	0	0	0	113.9
207	G	27.8	Very low	30.8	Very low	76 Å²	76	137.3 Å²	137.3	78%	0.784	83%	0.83	S	S	*	*			trans	166	45.1	-179.1	0	0	0	0	0	115.6
208	T	29.7	Very low	31.1	Very low	138 Å²	138	135.5 Å²	135.5	85%	0.847	83%	0.829	S	S	*	*			trans	-99.3	124.9	179.7	47.7	0	0	0	0	113.1
209	S	31.8	Very low	31.4	Very low	128 Å²	128	136.8 Å²	136.8	90%	0.895	83%	0.83	S	S	*	*			trans	-163.3	175.9	156.8	59.5	0	0	0	0	111.1
210	S	32.7	Very low	31.4	Very low	113 Å²	113	138.3 Å²	138.3	79%	0.79	83%	0.828	S	S	*	*			trans	-142.8	162.9	-156.2	55.2	0	0	0	0	115.7
211	A	31.6	Very low	32.1	Very low	83 Å²	83	140.6 Å²	140.6	69%	0.686	83%	0.834	S	S	*	*			trans	73.7	121	151.5	0	0	0	0	0	121.6
212	L	32.1	Very low	32.3	Very low	172 Å²	172	141.3 Å²	141.3	90%	0.901	83%	0.833	S	S	*	*				45.5	121	128.9	-56.7	171	0	0	0	120.7
213	N	28.8	Very low	33.1	Very low	170 Å²	170	142.7 Å²	142.7	91%	0.909	83%	0.83	S	S	*	*				-158.5	-176.8	110.4	-146	-15.2	0	0	0	112.8
214	S	30.5	Very low	33.7	Very low	90 Å²	90	133.6 Å²	133.6	63%	0.629	82%	0.815	S	S	*	*			trans	-103.9	152.7	-157.8	-178	0	0	0	0	116.7
215	S	32.3	Very low	34.1	Very low	104 Å²	104	138.1 Å²	138.1	73%	0.727	81%	0.814	S	S	*	*			trans	53.4	123.7	144.2	59	0	0	0	0	121.8
216	S	32.7	Very low	34.6	Very low	128 Å²	128	142 Å²	142	90%	0.895	82%	0.818	S	S	*	*			trans	-154.7	150	131.2	33.3	0	0	0	0	111.1
217	L	38	Very low	35.2	Very low	172 Å²	172	139.3 Å²	139.3	90%	0.901	81%	0.81	S	S	*	*			trans	-88	144.9	-174.9	-68	161.8	0	0	0	111.9
218	K	34	Very low	36	Very low	209 Å²	209	138.9 Å²	138.9	91%	0.909	80%	0.798	S	S	*	*			trans	-160.7	145.3	151.5	-112.1	160.7	-171.4	177.7	0	112
219	H	35.1	Very low	36.7	Very low	180 Å²	180	135.7 Å²	135.7	83%	0.833	78%	0.782	S	S	*	*			trans	-67.4	140.4	170.8	-99.1	-84.5	0	0	0	110.9
220	N	32.7	Very low	37.5	Very low	156 Å²	156	132.2 Å²	132.2	83%	0.834	76%	0.757	S	S	*	*				-160.2	151.8	108.3	-105.9	-0.1	0	0	0	111.2
221	S	42.4	Very low	38.3	Very low	113 Å²	113	129.1 Å²	129.1	79%	0.79	74%	0.736	S	S	*	*			trans	-79.5	131.6	163	47.1	0	0	0	0	109.2
222	D	35.9	Very low	39.3	Very low	152 Å²	152	134.4 Å²	134.4	81%	0.813	74%	0.738	S	S	*	*			trans	-144.4	142.5	167.1	-165.2	23.6	0	0	0	109.6
223	D	45.4	Very low	40.3	Very low	156 Å²	156	128.9 Å²	128.9	83%	0.834	71%	0.709	S	S	*	*			trans	-101.2	160.4	-176.2	-105.4	-56	0	0	0	111
224	G	43.3	Very low	41.7	Very low	61 Å²	61	125.9 Å²	125.9	63%	0.629	69%	0.69	S	S	*	*			trans	93.4	30.3	153	0	0	0	0	0	120.1
225	Y	38.9	Very low	43.2	Very low	220 Å²	220	127.1 Å²	127.1	86%	0.863	68%	0.684	S	S	*	*			trans	-107.4	68.8	165	-92.8	-86	0	0	0	113.7
226	K	39.7	Very low	45.1	Very low	189 Å²	189	124 Å²	124	82%	0.822	66%	0.662	S	S	*	*			trans	-136.8	-0.7	172.2	-83.5	-164.7	174.4	-177.6	0	117
227	T	44.4	Very low	47.7	Very low	116 Å²	116	119.7 Å²	119.7	71%	0.712	63%	0.628	S	S	*	*	H	α-helix	trans	-95.9	-8.5	-174.4	35.1	0	0	0	0	115.2	S231	T227-S231 PolarHBondContact O-OG 3.08Å; T227-S231 VanDerWaalsContact O-OG 3.1Å
228	A	44.3	Very low	50.1	Low	66 Å²	66	111.6 Å²	111.6	55%	0.545	59%	0.586	S	S	.	*	H	α-helix	trans	-87.5	-32.7	-175.3	0	0	0	0	0	115
229	S	45	Very low	53	Low	71 Å²	71	103.3 Å²	103.3	50%	0.497	55%	0.551	S	S	.	*	H	α-helix	trans	-79.8	-51.2	179	64.6	0	0	0	0	111.6	S231 R232 D233	S229-S231 PolarHBondContact O-N 2.79Å; S229-S231 VanDerWaalsContact O-N 3.1Å; S229-R232 WeakPolarHBondContact O-CA 3.46Å; S229-R232 WeakPolarHBondContact O-CB 3.1Å; S229-R232 PolarHBondContact O-N 3.24Å; S229-D233 PolarHBondContact O-N 3.04Å
230	S	48.4	Very low	56	Low	55 Å²	55	94.8 Å²	94.8	39%	0.385	51%	0.512	S	S	.	.	H	α-helix	trans	-57.1	-36.4	-174.7	102.7	0	0	0	0	112.4	R232 D233 E234	S230-R232 PolarHBondContact O-N 3.34Å; S230-D233 PolarHBondContact N-OD2 2.95Å; S230-D233 PolarHBondContact O-N 2.67Å; S230-E234 WeakPolarHBondContact O-CB 3.35Å; S230-E234 WeakPolarHBondContact O-CG 3.13Å; S230-E234 PolarHBondContact O-N 3.02Å
231	S	49.6	Very low	59.1	Low	48 Å²	48	87.3 Å²	87.3	34%	0.336	47%	0.472	S	S	.	.	H	α-helix	trans	-74.2	-3	176.6	66.7	0	0	0	0	115	T227 S229 K235	T227-S231 PolarHBondContact O-OG 3.08Å; T227-S231 VanDerWaalsContact O-OG 3.1Å; S229-S231 PolarHBondContact O-N 2.79Å; S229-S231 VanDerWaalsContact O-N 3.1Å; S231-K235 VanDerWaalsContact O-CD 3.27Å; S231-K235 WeakPolarHBondContact O-CD 3.24Å; S231-K235 WeakPolarHBondContact O-CE 3.44Å; S231-K235 PolarHBondContact O-NZ 2.91Å
232	R	52.4	Low	61.7	Low	194 Å²	194	82 Å²	82	73%	0.732	43%	0.434	S	S	*	.	H	α-helix	trans	-101.9	-40.8	163.4	-66.7	-177.1	174.3	-166.7	-1.4	110.9	S229 S230 K235	S229-R232 WeakPolarHBondContact O-CA 3.46Å; S229-R232 WeakPolarHBondContact O-CB 3.1Å; S229-R232 PolarHBondContact O-N 3.24Å; S230-R232 PolarHBondContact O-N 3.34Å; R232-K235 WeakPolarHBondContact O-CB 3.28Å; R232-K235 PolarHBondContact O-N 2.64Å
233	D	53.5	Low	64.7	Low	57 Å²	57	80.4 Å²	80.4	31%	0.305	42%	0.417	S	S	.	.	H	α-helix	trans	-61.4	-46.5	-179.3	-55.3	-37	0	0	0	110.9	S229 S230 K235 S236 E237 A298	S229-D233 PolarHBondContact O-N 3.04Å; S230-D233 PolarHBondContact N-OD2 2.95Å; S230-D233 PolarHBondContact O-N 2.67Å; D233-K235 PolarHBondContact O-N 3.06Å; D233-K235 VanDerWaalsContact O-N 3.08Å; D233-S236 PolarHBondContact O-N 3.31Å; D233-S236 PolarHBondContact O-OG 3.28Å; D233-E237 PolarHBondContact O-N 2.76Å; D233-A298 HydrophobicContact CB-CB 4.32Å
234	E	57.4	Low	67.2	Low	106 Å²	106	75.9 Å²	75.9	50%	0.495	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-14	173.2	-73.5	-178	165.1	0	0	114.6	S230	S230-E234 WeakPolarHBondContact O-CB 3.35Å; S230-E234 WeakPolarHBondContact O-CG 3.13Å; S230-E234 PolarHBondContact O-N 3.02Å
235	K	62.5	Low	69.6	Low	117 Å²	117	73.9 Å²	73.9	51%	0.509	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	2.3	173.8	-63.8	175.1	-178.4	133.9	0	112.7	S231 R232 D233	S231-K235 VanDerWaalsContact O-CD 3.27Å; S231-K235 WeakPolarHBondContact O-CD 3.24Å; S231-K235 WeakPolarHBondContact O-CE 3.44Å; S231-K235 PolarHBondContact O-NZ 2.91Å; R232-K235 WeakPolarHBondContact O-CB 3.28Å; R232-K235 PolarHBondContact O-N 2.64Å; D233-K235 PolarHBondContact O-N 3.06Å; D233-K235 VanDerWaalsContact O-N 3.08Å
236	S	70.7	Confident	72.2	Confident	39 Å²	39	65 Å²	65	27%	0.273	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125	-16	177.6	68.3	0	0	0	0	114.9	D233 L239	D233-S236 PolarHBondContact O-N 3.31Å; D233-S236 PolarHBondContact O-OG 3.28Å; S236-L239 PolarHBondContact O-N 3.46Å
237	E	88.1	Confident	74.9	Confident	37 Å²	37	59.2 Å²	59.2	17%	0.173	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	141.8	168.7	-61.7	-164.4	148	0	0	111.5	D233 L239 R269 W296 A298 H529	D233-E237 PolarHBondContact O-N 2.76Å; E237-L239 PolarHBondContact O-N 3.19Å; E237-R269 IonicContact OE1-NH2 3.78Å; E237-R269 PolarHBondContact OE1-NH2 3.4Å; E237-R269 IonicContact OE2-CZ 2.64Å; E237-R269 IonicContact OE2-NH1 2.71Å; E237-R269 PolarHBondContact OE2-NH1 2.83Å; E237-R269 IonicContact OE2-NH2 2.81Å; E237-R269 PolarHBondContact OE2-NH2 3.03Å; E237-W296 HydrophobicContact CB-CE3 3.88Å; E237-W296 HydrophobicContact CB-CZ3 4.42Å; E237-W296 WeakPolarHBondContact O-CZ3 3.32Å; E237-A298 HydrophobicContact CG-CB 4.43Å; E237-H529 PolarHBondContact O-NE2 3.32Å; E237-H529 VanDerWaalsContact O-NE2 3.11Å
238	G	88.5	Confident	77.4	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.01	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	-14	179.8	0	0	0	0	0	115	C240 M295	G238-C240 PolarHBondContact O-N 3.38Å; G238-M295 WeakPolarHBondContact CA-O 3.32Å; G238-M295 PolarHBondContact N-O 3.08Å; G238-M295 VanDerWaalsContact N-O 3.14Å
239	L	95.3	Very high	80	Confident	36 Å²	36	50.8 Å²	50.8	19%	0.188	26%	0.263	C	S	.	.			trans	-78.4	51.1	169.6	-60.9	-178	0	0	0	111.7	S236 E237 H536 F538 V543	S236-L239 PolarHBondContact O-N 3.46Å; E237-L239 PolarHBondContact O-N 3.19Å; L239-H536 HydrophobicContact CD2-CB 4.38Å; L239-F538 HydrophobicContact CD2-CZ 4.16Å; L239-V543 HydrophobicContact CD2-CG1 4.37Å
240	C	96.8	Very high	82.5	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.			trans	-111.4	125.9	-176.4	178.2	0	0	0	0	111.5	G238 Q256 M295 V300	G238-C240 PolarHBondContact O-N 3.38Å; C240-Q256 PolarHBondContact O-NE2 2.98Å; C240-M295 HydrophobicContact CB-CB 4.16Å; C240-M295 HydrophobicContact CB-CG 4.3Å; C240-V300 WeakPolarHBondContact CB-O 3.24Å
241	G	97.9	Very high	84.9	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	165.6	171.3	0	0	0	0	0	113.6	H301 T302 V303 D540	G241-H301 PolarHBondContact N-O 2.85Å; G241-T302 WeakPolarHBondContact O-CA 3.45Å; G241-V303 PolarHBondContact O-N 2.87Å; G241-D540 CarbonylContact C-O 3.55Å; G241-D540 WeakPolarHBondContact CA-O 3.29Å
242	L	98.6	Very high	87.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	118.2	176.9	-67.8	173.8	0	0	0	110.6	N244 N252 I255 Q256 L291 M295 V303 P305 D540 N541	L242-N244 PolarHBondContact O-N 2.83Å; L242-N252 HydrophobicContact CB-CB 4.16Å; L242-N252 HydrophobicContact CD1-CB 4.27Å; L242-N252 PolarHBondContact O-ND2 3.45Å; L242-I255 HydrophobicContact CD1-CB 3.88Å; L242-I255 HydrophobicContact CD1-CG2 3.53Å; L242-Q256 HydrophobicContact CD1-CG 4.11Å; L242-L291 HydrophobicContact CD2-CD1 3.91Å; L242-L291 HydrophobicContact CD2-CD2 4.46Å; L242-M295 HydrophobicContact CD1-CE 4.18Å; L242-M295 HydrophobicContact CD1-SD 4.4Å; L242-M295 HydrophobicContact CD2-CE 4.25Å; L242-M295 HydrophobicContact CD2-CG 4.31Å; L242-M295 HydrophobicContact CD2-SD 3.88Å; L242-M295 HydrophobicContact CG-CE 4.21Å; L242-M295 HydrophobicContact CG-SD 4.43Å; L242-V303 WeakPolarHBondContact CA-O 3.47Å; L242-V303 HydrophobicContact CD2-CB 4.34Å; L242-P305 HydrophobicContact CB-CG 4.42Å; L242-P305 HydrophobicContact CD2-CG 4.31Å; L242-D540 PolarHBondContact N-O 2.98Å; L242-D540 CarbonylContact O-C 2.88Å; L242-D540 WeakPolarHBondContact O-CA 3.41Å; L242-D540 WeakPolarHBondContact O-CB 3.49Å; L242-N541 PolarHBondContact O-N 2.91Å; L242-N541 VanDerWaalsContact O-N 3.13Å
243	R	98.3	Very high	89.4	Confident	120 Å²	120	34.3 Å²	34.3	45%	0.453	18%	0.175	S	C	.	.			trans	-60.7	135.5	179.6	-59.1	-163.4	-171.9	-89.5	-3.7	111.4	I245 N252 T302 V303 T304 N541	R243-I245 WeakPolarHBondContact O-CG1 3.37Å; R243-I245 PolarHBondContact O-N 3.28Å; R243-N252 PolarHBondContact O-ND2 3.35Å; R243-T302 HydrophobicContact CG-CG2 3.48Å; R243-T302 VanDerWaalsContact CG-CG2 3.48Å; R243-V303 PolarHBondContact N-O 3.14Å; R243-T304 HydrophobicContact CB-CG2 4.31Å; R243-T304 WeakPolarHBondContact CD-OG1 3.14Å; R243-N541 HydrophobicContact CG-CB 4.1Å
244	N	97	Very high	91.6	Very high	60 Å²	60	31.6 Å²	31.6	32%	0.321	16%	0.161	S	C	.	.			trans	-69.8	127.9	171.3	-161	-48.6	0	0	0	109.5	L242 G246 N247 T248 D540	L242-N244 PolarHBondContact O-N 2.83Å; N244-G246 PolarHBondContact OD1-N 3.05Å; N244-G246 VanDerWaalsContact OD1-N 3.1Å; N244-N247 PolarHBondContact OD1-N 2.66Å; N244-T248 PolarHBondContact OD1-N 2.83Å; N244-T248 PolarHBondContact OD1-OG1 3.39Å; N244-D540 HydrophobicContact CB-CB 4.18Å; N244-D540 WeakPolarHBondContact CB-OD2 3.36Å; N244-D540 PolarHBondContact ND2-OD2 3.49Å
245	I	95.3	Very high	93.5	Very high	19 Å²	19	26.5 Å²	26.5	10%	0.097	14%	0.137	C	C	.	.	S	Bend	trans	-109.5	43.7	-177.8	-38.8	-175.4	0	0	0	109.6	R243 T248 T304 P305 M306 K309 Y322	R243-I245 WeakPolarHBondContact O-CG1 3.37Å; R243-I245 PolarHBondContact O-N 3.28Å; I245-T248 HydrophobicContact CB-CG2 3.99Å; I245-T248 PolarHBondContact N-OG1 2.99Å; I245-T304 HydrophobicContact CD1-CG2 3.86Å; I245-T304 HydrophobicContact CG1-CG2 4.29Å; I245-P305 HydrophobicContact CD1-CG 4.02Å; I245-M306 HydrophobicContact CD1-CB 4.05Å; I245-M306 HydrophobicContact CD1-CE 4.41Å; I245-M306 HydrophobicContact CD1-SD 4.35Å; I245-M306 HydrophobicContact CG2-CE 3.44Å; I245-M306 VanDerWaalsContact CG2-CE 3.44Å; I245-M306 HydrophobicContact CG2-SD 3.89Å; I245-K309 HydrophobicContact CB-CD 4.5Å; I245-K309 HydrophobicContact CG2-CD 4.48Å; I245-Y322 WeakPolarHBondContact O-CD1 3.35Å; I245-Y322 WeakPolarHBondContact O-CE1 3.43Å
246	G	93.4	Very high	95.3	Very high	35 Å²	35	21 Å²	21	36%	0.361	11%	0.113	S	C	.	.	S	Bend	trans	80.5	97.4	-175.6	0	0	0	0	0	112.3	N244 T248	N244-G246 PolarHBondContact OD1-N 3.05Å; N244-G246 VanDerWaalsContact OD1-N 3.1Å; G246-T248 PolarHBondContact O-N 2.89Å
247	N	96	Very high	96.6	Very high	67 Å²	67	19.2 Å²	19.2	36%	0.358	10%	0.1	S	C	.	.	S	Bend	trans	59.2	17.4	179.9	-75.6	-46.4	0	0	0	115.6	N244 C249 F250 Y322 Q324	N244-N247 PolarHBondContact OD1-N 2.66Å; N247-C249 VanDerWaalsContact C-N 3.28Å; N247-C249 PolarHBondContact O-N 2.57Å; N247-F250 VanDerWaalsContact O-CD1 3.23Å; N247-F250 WeakPolarHBondContact O-CD1 3.44Å; N247-F250 VanDerWaalsContact O-CE1 3.26Å; N247-F250 WeakPolarHBondContact O-CE1 3.11Å; N247-Y322 WeakPolarHBondContact CB-O 3.36Å; N247-Y322 PolarHBondContact ND2-O 3.28Å; N247-Q324 HydrophobicContact CB-CG 3.68Å; N247-Q324 VanDerWaalsContact CG-CG 3.49Å; N247-Q324 WeakPolarHBondContact OD1-CG 3.4Å; N247-Q324 PolarHBondContact OD1-NE2 2.72Å
248	T	97.1	Very high	97.1	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.018	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	14.3	-174.7	66.7	0	0	0	0	114.8	N244 I245 G246 F250 M251 N252 K309	N244-T248 PolarHBondContact OD1-N 2.83Å; N244-T248 PolarHBondContact OD1-OG1 3.39Å; I245-T248 HydrophobicContact CB-CG2 3.99Å; I245-T248 PolarHBondContact N-OG1 2.99Å; G246-T248 PolarHBondContact O-N 2.89Å; T248-F250 VanDerWaalsContact C-N 3.26Å; T248-F250 PolarHBondContact O-N 2.84Å; T248-M251 HydrophobicContact CG2-CE 4.44Å; T248-M251 WeakPolarHBondContact O-CB 3.23Å; T248-M251 PolarHBondContact O-N 3.49Å; T248-M251 VanDerWaalsContact O-N 3.12Å; T248-N252 PolarHBondContact O-N 3.08Å; T248-K309 HydrophobicContact CG2-CD 4.22Å
249	C	97.8	Very high	97.6	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.014	9%	0.091	C	C	.	.	H	α-helix	trans	-63	-30.9	-176.6	52.9	0	0	0	0	113	N247 M251 N252 S253 H522	N247-C249 VanDerWaalsContact C-N 3.28Å; N247-C249 PolarHBondContact O-N 2.57Å; C249-M251 PolarHBondContact O-N 3.42Å; C249-N252 PolarHBondContact O-N 2.9Å; C249-S253 WeakPolarHBondContact O-CB 3.32Å; C249-S253 PolarHBondContact O-N 2.87Å; C249-H522 VanDerWaalsContact CB-CE1 3.43Å; C249-H522 WeakPolarHBondContact CB-CE1 3.47Å; C249-H522 WeakPolarHBondContact CB-ND1 3.38Å; C249-H522 PolarHBondContact SG-ND1 2.94Å
250	F	97.9	Very high	97.7	Very high	11 Å²	11	15.9 Å²	15.9	5%	0.048	8%	0.084	C	C	.	.	H	α-helix	trans	-56.7	-50.5	171.9	68	-87.7	0	0	0	110.9	N247 T248 S253 V254 Y319 Q325 A327 F330 Y523	N247-F250 VanDerWaalsContact O-CD1 3.23Å; N247-F250 WeakPolarHBondContact O-CD1 3.44Å; N247-F250 VanDerWaalsContact O-CE1 3.26Å; N247-F250 WeakPolarHBondContact O-CE1 3.11Å; T248-F250 VanDerWaalsContact C-N 3.26Å; T248-F250 PolarHBondContact O-N 2.84Å; F250-S253 PolarHBondContact O-N 2.68Å; F250-S253 PolarHBondContact O-OG 2.86Å; F250-V254 PolarHBondContact O-N 3.17Å; F250-Y319 HydrophobicContact CD2-CE1 4.48Å; F250-Y319 AromaticContact CE2-CD1 3.73Å; F250-Y319 HydrophobicContact CE2-CD1 3.73Å; F250-Y319 AromaticContact CE2-CE1 3.6Å; F250-Y319 HydrophobicContact CE2-CE1 3.6Å; F250-Y319 AromaticContact CZ-CD1 3.83Å; F250-Y319 HydrophobicContact CZ-CD1 3.83Å; F250-Y319 HydrophobicContact CZ-CE1 4.07Å; F250-Q325 HydrophobicContact CD1-CB 4.07Å; F250-Q325 HydrophobicContact CD2-CB 4.02Å; F250-Q325 HydrophobicContact CE1-CB 3.88Å; F250-Q325 HydrophobicContact CE1-CG 4.07Å; F250-Q325 HydrophobicContact CE2-CB 3.86Å; F250-Q325 HydrophobicContact CE2-CG 4.36Å; F250-Q325 HydrophobicContact CG-CB 4.16Å; F250-Q325 HydrophobicContact CZ-CB 3.8Å; F250-Q325 HydrophobicContact CZ-CG 3.9Å; F250-A327 HydrophobicContact CB-CB 4.19Å; F250-F330 HydrophobicContact CD2-CB 3.77Å; F250-F330 HydrophobicContact CD2-CD2 4.43Å; F250-F330 AromaticContact CD2-CG 3.96Å; F250-F330 HydrophobicContact CD2-CG 3.96Å; F250-F330 HydrophobicContact CE2-CB 3.97Å; F250-F330 AromaticContact CE2-CD2 3.93Å; F250-F330 HydrophobicContact CE2-CD2 3.93Å; F250-F330 AromaticContact CE2-CG 3.93Å; F250-F330 HydrophobicContact CE2-CG 3.93Å; F250-Y523 HydrophobicContact CB-CD2 3.67Å; F250-Y523 HydrophobicContact CB-CE2 3.73Å; F250-Y523 HydrophobicContact CB-CG 4.19Å
251	M	98.3	Very high	97.8	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.025	8%	0.084	C	C	.	.	H	α-helix	trans	-62.7	-46.8	177.9	175.2	-176.4	88.5	0	0	110.7	T248 C249 S253 V254 I255 P305 K309 F330	T248-M251 HydrophobicContact CG2-CE 4.44Å; T248-M251 WeakPolarHBondContact O-CB 3.23Å; T248-M251 PolarHBondContact O-N 3.49Å; T248-M251 VanDerWaalsContact O-N 3.12Å; C249-M251 PolarHBondContact O-N 3.42Å; M251-S253 PolarHBondContact O-N 2.82Å; M251-V254 PolarHBondContact O-N 2.87Å; M251-I255 HydrophobicContact CE-CD1 4.36Å; M251-I255 HydrophobicContact CG-CD1 3.62Å; M251-I255 HydrophobicContact CG-CG1 4.36Å; M251-I255 WeakPolarHBondContact O-CB 3.48Å; M251-I255 VanDerWaalsContact O-CG1 3.29Å; M251-I255 WeakPolarHBondContact O-CG1 3.23Å; M251-I255 PolarHBondContact O-N 2.95Å; M251-I255 HydrophobicContact SD-CD1 4.39Å; M251-P305 HydrophobicContact CE-CB 4.08Å; M251-P305 HydrophobicContact CE-CG 3.74Å; M251-K309 HydrophobicContact CE-CB 4.35Å; M251-K309 HydrophobicContact SD-CB 4.39Å; M251-F330 HydrophobicContact CB-CD1 4.48Å; M251-F330 HydrophobicContact CB-CE1 4.22Å; M251-F330 HydrophobicContact CB-CE2 4.33Å; M251-F330 HydrophobicContact CB-CZ 4.16Å; M251-F330 HydrophobicContact CG-CE1 3.99Å; M251-F330 HydrophobicContact CG-CE2 3.94Å; M251-F330 HydrophobicContact CG-CZ 3.58Å
252	N	98.6	Very high	97.7	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.021	9%	0.093	C	C	.	.	H	α-helix	trans	-60.2	-44.8	178.9	-69.3	-15	0	0	0	111.3	L242 R243 T248 C249 V254 I255 Q256 D540	L242-N252 HydrophobicContact CB-CB 4.16Å; L242-N252 HydrophobicContact CD1-CB 4.27Å; L242-N252 PolarHBondContact O-ND2 3.45Å; R243-N252 PolarHBondContact O-ND2 3.35Å; T248-N252 PolarHBondContact O-N 3.08Å; C249-N252 PolarHBondContact O-N 2.9Å; N252-V254 VanDerWaalsContact C-N 3.34Å; N252-V254 PolarHBondContact O-N 3.33Å; N252-I255 PolarHBondContact O-N 2.84Å; N252-Q256 VanDerWaalsContact O-CG 3.23Å; N252-Q256 WeakPolarHBondContact O-CG 3.45Å; N252-Q256 PolarHBondContact O-N 3Å; N252-D540 PolarHBondContact ND2-OD1 3.1Å
253	S	98.8	Very high	97.6	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.007	11%	0.105	C	C	.	.	H	α-helix	trans	-61.9	-40	178.6	78.9	0	0	0	0	112.7	C249 F250 M251 Q256 C257 S512 A525	C249-S253 WeakPolarHBondContact O-CB 3.32Å; C249-S253 PolarHBondContact O-N 2.87Å; F250-S253 PolarHBondContact O-N 2.68Å; F250-S253 PolarHBondContact O-OG 2.86Å; M251-S253 PolarHBondContact O-N 2.82Å; S253-Q256 PolarHBondContact O-N 2.83Å; S253-C257 PolarHBondContact O-N 3.5Å; S253-C257 VanDerWaalsContact O-N 3.09Å; S253-C257 PolarHBondContact O-SG 3.19Å; S253-S512 PolarHBondContact OG-OG 2.88Å; S253-A525 WeakPolarHBondContact O-CB 3.45Å
254	V	98.8	Very high	97.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-72.2	-41.7	179.1	170.5	0	0	0	0	111.6	F250 M251 N252 Q256 C257 L258 A327 F330 L331	F250-V254 PolarHBondContact O-N 3.17Å; M251-V254 PolarHBondContact O-N 2.87Å; N252-V254 VanDerWaalsContact C-N 3.34Å; N252-V254 PolarHBondContact O-N 3.33Å; V254-Q256 VanDerWaalsContact C-N 3.28Å; V254-Q256 PolarHBondContact O-N 2.74Å; V254-C257 PolarHBondContact O-N 2.98Å; V254-L258 HydrophobicContact CG1-CD1 3.92Å; V254-L258 HydrophobicContact CG1-CG 4.34Å; V254-L258 WeakPolarHBondContact O-CG 3.47Å; V254-L258 PolarHBondContact O-N 3.31Å; V254-A327 HydrophobicContact CG2-CB 3.96Å; V254-A327 WeakPolarHBondContact CG2-O 3.23Å; V254-F330 HydrophobicContact CB-CD1 3.74Å; V254-F330 HydrophobicContact CB-CE1 3.82Å; V254-F330 HydrophobicContact CG1-CD1 3.77Å; V254-F330 HydrophobicContact CG1-CE1 3.7Å; V254-F330 HydrophobicContact CG2-CD1 4.04Å; V254-L331 HydrophobicContact CG1-CB 3.93Å; V254-L331 HydrophobicContact CG1-CD1 3.7Å; V254-L331 HydrophobicContact CG1-CG 4.39Å; V254-L331 HydrophobicContact CG2-CB 4.3Å
255	I	98.7	Very high	97.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-58.7	-42.7	173.7	-70	168.9	0	0	0	110.1	L242 M251 N252 L258 S259 F288 L291 M295 L308	L242-I255 HydrophobicContact CD1-CB 3.88Å; L242-I255 HydrophobicContact CD1-CG2 3.53Å; M251-I255 HydrophobicContact CE-CD1 4.36Å; M251-I255 HydrophobicContact CG-CD1 3.62Å; M251-I255 HydrophobicContact CG-CG1 4.36Å; M251-I255 WeakPolarHBondContact O-CB 3.48Å; M251-I255 VanDerWaalsContact O-CG1 3.29Å; M251-I255 WeakPolarHBondContact O-CG1 3.23Å; M251-I255 PolarHBondContact O-N 2.95Å; M251-I255 HydrophobicContact SD-CD1 4.39Å; N252-I255 PolarHBondContact O-N 2.84Å; I255-L258 PolarHBondContact O-N 3.23Å; I255-S259 WeakPolarHBondContact O-CB 3.28Å; I255-S259 PolarHBondContact O-N 2.98Å; I255-F288 HydrophobicContact CG2-CE2 4.26Å; I255-L291 HydrophobicContact CD1-CD2 4.12Å; I255-L291 HydrophobicContact CG2-CD2 3.94Å; I255-M295 HydrophobicContact CG2-SD 4.12Å; I255-L308 HydrophobicContact CD1-CD2 3.75Å; I255-L308 HydrophobicContact CG1-CD2 4.47Å
256	Q	98.7	Very high	97.6	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.009	9%	0.093	C	C	.	.	H	α-helix	trans	-64.9	-39.1	177.9	-68.7	-70.2	12.4	0	0	113	C240 L242 N252 S253 V254 H260 A525 C527 F538	C240-Q256 PolarHBondContact O-NE2 2.98Å; L242-Q256 HydrophobicContact CD1-CG 4.11Å; N252-Q256 VanDerWaalsContact O-CG 3.23Å; N252-Q256 WeakPolarHBondContact O-CG 3.45Å; N252-Q256 PolarHBondContact O-N 3Å; S253-Q256 PolarHBondContact O-N 2.83Å; V254-Q256 VanDerWaalsContact C-N 3.28Å; V254-Q256 PolarHBondContact O-N 2.74Å; Q256-H260 PolarHBondContact O-N 2.66Å; Q256-H260 PolarHBondContact O-ND1 3.46Å; Q256-A525 HydrophobicContact CB-CB 3.63Å; Q256-A525 HydrophobicContact CG-CB 4.49Å; Q256-C527 PolarHBondContact O-SG 2.85Å; Q256-F538 HydrophobicContact CB-CB 4.21Å; Q256-F538 HydrophobicContact CB-CG 4.37Å; Q256-F538 HydrophobicContact CG-CB 3.7Å; Q256-F538 HydrophobicContact CG-CD1 4.24Å; Q256-F538 HydrophobicContact CG-CG 4.06Å; Q256-F538 VanDerWaalsContact NE2-CD1 3.33Å
257	C	98.8	Very high	97.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64	-48.1	174.2	-63.5	0	0	0	0	111.4	S253 V254 S259 H260 T261 A510 F561	S253-C257 PolarHBondContact O-N 3.5Å; S253-C257 VanDerWaalsContact O-N 3.09Å; S253-C257 PolarHBondContact O-SG 3.19Å; V254-C257 PolarHBondContact O-N 2.98Å; C257-S259 VanDerWaalsContact C-N 3.34Å; C257-S259 PolarHBondContact O-N 2.8Å; C257-H260 PolarHBondContact O-N 2.7Å; C257-H260 VanDerWaalsContact O-N 3.14Å; C257-T261 PolarHBondContact O-N 3.01Å; C257-A510 HydrophobicContact CB-CB 3.88Å; C257-F561 HydrophobicContact CB-CD1 4.27Å; C257-F561 HydrophobicContact CB-CD2 3.79Å; C257-F561 HydrophobicContact CB-CE1 4.01Å; C257-F561 HydrophobicContact CB-CE2 3.49Å; C257-F561 VanDerWaalsContact CB-CE2 3.49Å; C257-F561 HydrophobicContact CB-CG 4.18Å; C257-F561 HydrophobicContact CB-CZ 3.61Å; C257-F561 VanDerWaalsContact SG-CE2 3.59Å
258	L	98.7	Very high	97.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-68	-31.6	179.1	-67.4	176.1	0	0	0	113	V254 I255 H260 T261 L264 F288 L331 F334 L335 F382 F561	V254-L258 HydrophobicContact CG1-CD1 3.92Å; V254-L258 HydrophobicContact CG1-CG 4.34Å; V254-L258 WeakPolarHBondContact O-CG 3.47Å; V254-L258 PolarHBondContact O-N 3.31Å; I255-L258 PolarHBondContact O-N 3.23Å; L258-H260 PolarHBondContact O-N 2.73Å; L258-T261 VanDerWaalsContact O-CB 3.28Å; L258-T261 WeakPolarHBondContact O-CB 3.34Å; L258-T261 PolarHBondContact O-N 2.76Å; L258-T261 PolarHBondContact O-OG1 2.77Å; L258-L264 HydrophobicContact CB-CD2 4.25Å; L258-L264 HydrophobicContact CD2-CD2 4.28Å; L258-F288 HydrophobicContact CB-CZ 4.15Å; L258-L331 HydrophobicContact CD1-CD1 4.01Å; L258-L331 HydrophobicContact CD2-CD1 4.11Å; L258-L331 HydrophobicContact CG-CD1 4.28Å; L258-F334 HydrophobicContact CD1-CD1 3.66Å; L258-F334 HydrophobicContact CD1-CE1 3.98Å; L258-L335 HydrophobicContact CD1-CD2 4.38Å; L258-L335 HydrophobicContact CD2-CD2 4.13Å; L258-F382 HydrophobicContact CD2-CE1 4.28Å; L258-F382 HydrophobicContact CD2-CE2 4.49Å; L258-F382 HydrophobicContact CD2-CZ 3.72Å; L258-F561 HydrophobicContact CD2-CE1 4.31Å
259	S	98.3	Very high	97.6	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.1	-25.4	172.9	-175.5	0	0	0	0	112.2	I255 C257 T265 I292 W296	I255-S259 WeakPolarHBondContact O-CB 3.28Å; I255-S259 PolarHBondContact O-N 2.98Å; C257-S259 VanDerWaalsContact C-N 3.34Å; C257-S259 PolarHBondContact O-N 2.8Å; S259-T265 VanDerWaalsContact C-OG1 3.3Å; S259-T265 PolarHBondContact O-OG1 3.3Å; S259-I292 WeakPolarHBondContact OG-CD1 3.19Å; S259-W296 WeakPolarHBondContact O-CZ2 3.45Å; S259-W296 PolarHBondContact O-NE1 3.1Å; S259-W296 PolarHBondContact OG-NE1 3.13Å
260	H	97.9	Very high	97.4	Very high	5 Å²	5	24.6 Å²	24.6	2%	0.023	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-3.8	174.2	-71.1	76	0	0	0	113.5	Q256 C257 L258 Q262 Y509 C527 F538	Q256-H260 PolarHBondContact O-N 2.66Å; Q256-H260 PolarHBondContact O-ND1 3.46Å; C257-H260 PolarHBondContact O-N 2.7Å; C257-H260 VanDerWaalsContact O-N 3.14Å; L258-H260 PolarHBondContact O-N 2.73Å; H260-Q262 PolarHBondContact O-N 2.79Å; H260-Y509 HydrophobicContact CB-CD2 4.14Å; H260-Y509 HydrophobicContact CB-CE2 4.33Å; H260-C527 HydrophobicContact CB-CB 4.12Å; H260-C527 VanDerWaalsContact CG-CB 3.48Å; H260-F538 AromaticContact CE1-CE2 3.82Å; H260-F538 AromaticContact CE1-CZ 3.49Å; H260-F538 VanDerWaalsContact CE1-CZ 3.49Å; H260-F538 WeakPolarHBondContact CE1-CZ 3.24Å; H260-F538 AromaticContact NE2-CZ 3.81Å
261	T	98.3	Very high	96.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.121	C	C	.	.			trans	-69.8	96.7	168.9	-52.2	0	0	0	0	109.1	C257 L258 E263 L264 T265 L381 F382 Y462 Y509	C257-T261 PolarHBondContact O-N 3.01Å; L258-T261 VanDerWaalsContact O-CB 3.28Å; L258-T261 WeakPolarHBondContact O-CB 3.34Å; L258-T261 PolarHBondContact O-N 2.76Å; L258-T261 PolarHBondContact O-OG1 2.77Å; T261-E263 PolarHBondContact O-N 3.38Å; T261-E263 VanDerWaalsContact O-N 3.16Å; T261-L264 HydrophobicContact CG2-CB 3.9Å; T261-L264 WeakPolarHBondContact O-CB 3.27Å; T261-L264 PolarHBondContact O-N 3.25Å; T261-L264 VanDerWaalsContact O-N 3.1Å; T261-T265 PolarHBondContact O-N 2.78Å; T261-L381 HydrophobicContact CG2-CD1 4.33Å; T261-F382 HydrophobicContact CG2-CE1 4.44Å; T261-F382 HydrophobicContact CG2-CZ 3.81Å; T261-Y462 HydrophobicContact CG2-CD1 3.9Å; T261-Y462 HydrophobicContact CG2-CD2 3.86Å; T261-Y462 HydrophobicContact CG2-CE1 3.79Å; T261-Y462 HydrophobicContact CG2-CE2 3.74Å; T261-Y462 HydrophobicContact CG2-CG 3.92Å; T261-Y509 PolarHBondContact OG1-OH 3.35Å
262	Q	95.6	Very high	95.9	Very high	40 Å²	40	33.3 Å²	33.3	19%	0.187	15%	0.154	C	C	.	.	H	α-helix	trans	-55.9	-42.7	-161.6	-49.2	-173.8	42	0	0	114.4	H260 R266 P530 E563	H260-Q262 PolarHBondContact O-N 2.79Å; Q262-R266 VanDerWaalsContact CB-NH1 3.27Å; Q262-R266 WeakPolarHBondContact O-CB 3.35Å; Q262-R266 VanDerWaalsContact O-CG 3.24Å; Q262-R266 WeakPolarHBondContact O-CG 3.34Å; Q262-R266 PolarHBondContact O-N 2.97Å; Q262-P530 HydrophobicContact CG-CB 4.4Å; Q262-E563 PolarHBondContact NE2-OE1 3.28Å; Q262-E563 PolarHBondContact NE2-OE2 2.66Å
263	E	97	Very high	94.2	Very high	57 Å²	57	33.9 Å²	33.9	27%	0.266	16%	0.161	S	C	.	.	H	α-helix	trans	-71.9	-37.7	-179.7	-75.6	170.9	-85.3	0	0	113.4	T261 T265 R266 F267 L381 K461 Y462	T261-E263 PolarHBondContact O-N 3.38Å; T261-E263 VanDerWaalsContact O-N 3.16Å; E263-T265 VanDerWaalsContact C-N 3.35Å; E263-R266 PolarHBondContact O-N 3.44Å; E263-F267 WeakPolarHBondContact O-CB 3.13Å; E263-F267 PolarHBondContact O-N 3.17Å; E263-L381 HydrophobicContact CB-CD1 4.09Å; E263-L381 HydrophobicContact CB-CD2 3.99Å; E263-K461 VanDerWaalsContact OE1-CD 3.29Å; E263-K461 WeakPolarHBondContact OE1-CD 3.47Å; E263-K461 WeakPolarHBondContact OE1-CE 3.26Å; E263-K461 IonicContact OE1-NZ 3.14Å; E263-K461 PolarHBondContact OE1-NZ 3.46Å; E263-K461 IonicContact OE2-NZ 2.8Å; E263-K461 PolarHBondContact OE2-NZ 3Å; E263-Y462 HydrophobicContact CB-CE2 4.29Å; E263-Y462 PolarHBondContact N-OH 3Å; E263-Y462 WeakPolarHBondContact OE1-CE2 3.23Å; E263-Y462 PolarHBondContact OE1-OH 3.31Å
264	L	97.7	Very high	92.4	Very high	3 Å²	3	38 Å²	38	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-62.2	-46	174.1	-178.6	60.7	0	0	0	110	L258 T261 F267 L268 F288 L381 F382	L258-L264 HydrophobicContact CB-CD2 4.25Å; L258-L264 HydrophobicContact CD2-CD2 4.28Å; T261-L264 HydrophobicContact CG2-CB 3.9Å; T261-L264 WeakPolarHBondContact O-CB 3.27Å; T261-L264 PolarHBondContact O-N 3.25Å; T261-L264 VanDerWaalsContact O-N 3.1Å; L264-F267 PolarHBondContact O-N 2.87Å; L264-L268 HydrophobicContact CD1-CD1 3.9Å; L264-L268 HydrophobicContact CD1-CG 4.28Å; L264-L268 HydrophobicContact CG-CD1 3.82Å; L264-L268 WeakPolarHBondContact O-CB 3.19Å; L264-L268 VanDerWaalsContact O-CG 3.24Å; L264-L268 WeakPolarHBondContact O-CG 3.05Å; L264-L268 PolarHBondContact O-N 3.47Å; L264-F288 HydrophobicContact CD2-CE1 4.3Å; L264-L381 HydrophobicContact CB-CD1 3.89Å; L264-F382 HydrophobicContact CD2-CE2 4.3Å; L264-F382 HydrophobicContact CD2-CZ 4.45Å
265	T	96.9	Very high	90.3	Very high	10 Å²	10	50.4 Å²	50.4	6%	0.061	24%	0.237	C	C	.	.	H	α-helix	trans	-66.3	-40.8	177.8	-70	0	0	0	0	112.7	S259 T261 E263 F267 L268 R269 I292 W296	S259-T265 VanDerWaalsContact C-OG1 3.3Å; S259-T265 PolarHBondContact O-OG1 3.3Å; T261-T265 PolarHBondContact O-N 2.78Å; E263-T265 VanDerWaalsContact C-N 3.35Å; T265-F267 PolarHBondContact O-N 3.01Å; T265-L268 PolarHBondContact O-N 2.97Å; T265-R269 HydrophobicContact CG2-CG 4.37Å; T265-R269 WeakPolarHBondContact O-CB 3.1Å; T265-R269 WeakPolarHBondContact O-CG 3.39Å; T265-R269 PolarHBondContact O-N 2.98Å; T265-I292 HydrophobicContact CG2-CG2 3.96Å; T265-W296 HydrophobicContact CG2-CD2 4.11Å; T265-W296 HydrophobicContact CG2-CG 4.12Å; T265-W296 HydrophobicContact CG2-CZ2 4.42Å
266	R	96.2	Very high	88.4	Confident	144 Å²	144	54.1 Å²	54.1	54%	0.543	26%	0.263	S	S	.	.	H	α-helix	trans	-58.2	-47.6	172.8	-76.5	170.4	-171.9	119.7	9.5	111.5	Q262 E263 S270	Q262-R266 VanDerWaalsContact CB-NH1 3.27Å; Q262-R266 WeakPolarHBondContact O-CB 3.35Å; Q262-R266 VanDerWaalsContact O-CG 3.24Å; Q262-R266 WeakPolarHBondContact O-CG 3.34Å; Q262-R266 PolarHBondContact O-N 2.97Å; E263-R266 PolarHBondContact O-N 3.44Å; R266-S270 PolarHBondContact O-N 3.11Å
267	F	96.7	Very high	87.1	Confident	60 Å²	60	57.1 Å²	57.1	26%	0.263	28%	0.278	S	S	.	.	H	α-helix	trans	-59.2	-51.7	175.3	172.2	-100.2	0	0	0	111.3	E263 L264 T265 R269 S270 H271 L342 L377	E263-F267 WeakPolarHBondContact O-CB 3.13Å; E263-F267 PolarHBondContact O-N 3.17Å; L264-F267 PolarHBondContact O-N 2.87Å; T265-F267 PolarHBondContact O-N 3.01Å; F267-R269 PolarHBondContact O-N 2.95Å; F267-S270 CarbonylContact O-C 3.53Å; F267-S270 WeakPolarHBondContact O-CA 3.32Å; F267-S270 PolarHBondContact O-N 3.39Å; F267-S270 PolarHBondContact O-OG 3.47Å; F267-H271 HydrophobicContact CE1-CB 4.33Å; F267-H271 AromaticContact CE1-ND1 3.92Å; F267-H271 AromaticContact CZ-ND1 3.5Å; F267-H271 WeakPolarHBondContact O-CB 3.5Å; F267-H271 PolarHBondContact O-N 2.92Å; F267-L342 HydrophobicContact CE1-CD1 3.92Å; F267-L342 HydrophobicContact CE1-CD2 3.96Å; F267-L342 HydrophobicContact CZ-CD1 4.33Å; F267-L342 HydrophobicContact CZ-CD2 3.72Å; F267-L377 HydrophobicContact CB-CD2 3.51Å; F267-L377 HydrophobicContact CD1-CD2 3.64Å; F267-L377 HydrophobicContact CD2-CD2 3.86Å; F267-L377 HydrophobicContact CE1-CD2 4.32Å; F267-L377 HydrophobicContact CE2-CD2 4.49Å; F267-L377 HydrophobicContact CG-CD2 3.38Å
268	L	96.1	Very high	86.2	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-66.6	-34.4	-176	-69.2	171.3	0	0	0	113.7	L264 T265 S270 H271 L285 F288 A289 I292 Q293	L264-L268 HydrophobicContact CD1-CD1 3.9Å; L264-L268 HydrophobicContact CD1-CG 4.28Å; L264-L268 HydrophobicContact CG-CD1 3.82Å; L264-L268 WeakPolarHBondContact O-CB 3.19Å; L264-L268 VanDerWaalsContact O-CG 3.24Å; L264-L268 WeakPolarHBondContact O-CG 3.05Å; L264-L268 PolarHBondContact O-N 3.47Å; T265-L268 PolarHBondContact O-N 2.97Å; L268-S270 PolarHBondContact O-N 2.8Å; L268-H271 PolarHBondContact O-N 2.82Å; L268-H271 VanDerWaalsContact O-N 3.11Å; L268-L285 HydrophobicContact CD2-CD1 3.9Å; L268-F288 HydrophobicContact CD1-CD1 3.54Å; L268-F288 HydrophobicContact CD1-CE1 3.27Å; L268-F288 HydrophobicContact CD1-CG 4.42Å; L268-F288 HydrophobicContact CD1-CZ 3.96Å; L268-F288 HydrophobicContact CD2-CD1 4.44Å; L268-A289 HydrophobicContact CD2-CB 3.83Å; L268-I292 HydrophobicContact CB-CB 4.16Å; L268-I292 HydrophobicContact CB-CG1 4.48Å; L268-I292 HydrophobicContact CB-CG2 3.88Å; L268-I292 HydrophobicContact CD1-CG1 3.96Å; L268-Q293 PolarHBondContact O-NE2 3.05Å
269	R	94.4	Very high	85.9	Confident	95 Å²	95	63.8 Å²	63.8	36%	0.358	32%	0.323	S	S	.	.	H	α-helix	trans	-61	-33.2	170.9	-74.2	-176.3	84	175.9	6	112.2	E237 T265 F267 I292 W296	E237-R269 IonicContact OE1-NH2 3.78Å; E237-R269 PolarHBondContact OE1-NH2 3.4Å; E237-R269 IonicContact OE2-CZ 2.64Å; E237-R269 IonicContact OE2-NH1 2.71Å; E237-R269 PolarHBondContact OE2-NH1 2.83Å; E237-R269 IonicContact OE2-NH2 2.81Å; E237-R269 PolarHBondContact OE2-NH2 3.03Å; T265-R269 HydrophobicContact CG2-CG 4.37Å; T265-R269 WeakPolarHBondContact O-CB 3.1Å; T265-R269 WeakPolarHBondContact O-CG 3.39Å; T265-R269 PolarHBondContact O-N 2.98Å; F267-R269 PolarHBondContact O-N 2.95Å; R269-I292 HydrophobicContact CG-CG2 4.18Å; R269-W296 HydrophobicContact CG-CB 4.3Å; R269-W296 VanDerWaalsContact CZ-O 3.3Å; R269-W296 PolarHBondContact NH2-O 3.11Å
270	S	92.3	Very high	85.7	Confident	78 Å²	78	68.6 Å²	68.6	55%	0.545	34%	0.344	S	S	.	.	H	α-helix	trans	-85.8	-11.5	174.2	73.6	0	0	0	0	114.7	R266 F267 L268 H272	R266-S270 PolarHBondContact O-N 3.11Å; F267-S270 CarbonylContact O-C 3.53Å; F267-S270 WeakPolarHBondContact O-CA 3.32Å; F267-S270 PolarHBondContact O-N 3.39Å; F267-S270 PolarHBondContact O-OG 3.47Å; L268-S270 PolarHBondContact O-N 2.8Å; S270-H272 PolarHBondContact O-N 2.98Å
271	H	88.4	Confident	85.6	Confident	46 Å²	46	69.7 Å²	69.7	21%	0.213	35%	0.35	C	S	.	.			trans	-84.7	79.9	-171.5	-167.1	81.8	0	0	0	112.1	F267 L268 G273 A289 Q293	F267-H271 HydrophobicContact CE1-CB 4.33Å; F267-H271 AromaticContact CE1-ND1 3.92Å; F267-H271 AromaticContact CZ-ND1 3.5Å; F267-H271 WeakPolarHBondContact O-CB 3.5Å; F267-H271 PolarHBondContact O-N 2.92Å; L268-H271 PolarHBondContact O-N 2.82Å; L268-H271 VanDerWaalsContact O-N 3.11Å; H271-G273 PolarHBondContact O-N 2.87Å; H271-G273 VanDerWaalsContact O-N 3.08Å; H271-A289 HydrophobicContact CB-CB 4.27Å; H271-Q293 PolarHBondContact O-NE2 2.79Å
272	H	76.6	Confident	85.4	Confident	153 Å²	153	72.5 Å²	72.5	71%	0.708	36%	0.363	S	S	*	.			trans	-75.5	92.8	166	-51.6	-55.5	0	0	0	108.8	S270	S270-H272 PolarHBondContact O-N 2.98Å
273	G	64.1	Low	85.3	Confident	17 Å²	17	73.9 Å²	73.9	18%	0.175	37%	0.369	C	S	.	.			trans	-56	150.4	-167	0	0	0	0	0	115.3	H271	H271-G273 PolarHBondContact O-N 2.87Å; H271-G273 VanDerWaalsContact O-N 3.08Å
274	S	60.4	Low	85.3	Confident	87 Å²	87	71.2 Å²	71.2	61%	0.608	36%	0.357	S	S	*	.			trans	-57.2	138.1	-179.4	-178.3	0	0	0	0	112.2	S276	S274-S276 PolarHBondContact O-N 2.92Å
275	R	55.3	Low	85.3	Confident	261 Å²	261	71.5 Å²	71.5	99%	0.985	36%	0.358	S	S	*	.	S	Bend	trans	-62.9	-8.5	177.7	-68.3	-176.6	176.3	177.3	-1.4	114.3
276	S	58.8	Low	85.2	Confident	78 Å²	78	73.6 Å²	73.6	55%	0.545	37%	0.367	S	S	.	.			trans	-110.2	91.6	174.2	-169	0	0	0	0	110.8	S274 S278	S274-S276 PolarHBondContact O-N 2.92Å; S276-S278 VanDerWaalsContact C-N 3.26Å; S276-S278 PolarHBondContact O-N 2.73Å
277	L	71.7	Confident	85.3	Confident	65 Å²	65	68.5 Å²	68.5	34%	0.34	35%	0.349	S	S	.	.			trans	-83.1	66	177.9	-63.8	176.2	0	0	0	111.3	T279 Q282 Q283 H286	L277-T279 PolarHBondContact O-N 3.24Å; L277-Q282 HydrophobicContact CD2-CB 4.47Å; L277-Q283 HydrophobicContact CB-CG 3.92Å; L277-Q283 HydrophobicContact CD1-CG 4.43Å; L277-Q283 PolarHBondContact O-NE2 2.86Å; L277-H286 HydrophobicContact CD1-CB 4.43Å; L277-H286 HydrophobicContact CD2-CB 3.74Å
278	S	78.3	Confident	85.3	Confident	86 Å²	86	65.6 Å²	65.6	60%	0.601	34%	0.337	S	S	*	.			trans	-71.4	-21.9	-168.8	68.4	0	0	0	0	115.8	S276 Q282	S276-S278 VanDerWaalsContact C-N 3.26Å; S276-S278 PolarHBondContact O-N 2.73Å; S278-Q282 PolarHBondContact OG-OE1 2.9Å
279	T	92.3	Very high	85.4	Confident	54 Å²	54	65.6 Å²	65.6	33%	0.331	34%	0.337	S	S	.	.	S	Bend	trans	-124.9	157.2	178.9	75	0	0	0	0	112.1	L277 D281 Q282 Q283	L277-T279 PolarHBondContact O-N 3.24Å; T279-D281 PolarHBondContact O-N 2.78Å; T279-Q282 PolarHBondContact O-N 2.89Å; T279-Q282 WeakPolarHBondContact OG1-CG 3.47Å; T279-Q282 PolarHBondContact OG1-N 2.87Å; T279-Q282 VanDerWaalsContact OG1-N 3.07Å; T279-Q283 WeakPolarHBondContact O-CG 3.16Å; T279-Q283 PolarHBondContact O-N 3.43Å; T279-Q283 VanDerWaalsContact O-N 3.1Å
280	K	94.6	Very high	85.5	Confident	101 Å²	101	64.5 Å²	64.5	44%	0.439	34%	0.335	S	S	.	.	H	α-helix	trans	-59.7	-33.7	173.2	-63.1	-175.7	177.8	-174.9	0	112	Q283 I284 T314 K315	K280-Q283 WeakPolarHBondContact O-CB 3.05Å; K280-Q283 PolarHBondContact O-N 3.07Å; K280-I284 WeakPolarHBondContact O-CG1 3.44Å; K280-I284 PolarHBondContact O-N 3.4Å; K280-T314 HydrophobicContact CD-CG2 4.17Å; K280-T314 WeakPolarHBondContact CD-O 3.29Å; K280-T314 WeakPolarHBondContact CE-O 3.43Å; K280-T314 PolarHBondContact NZ-O 2.92Å; K280-K315 HydrophobicContact CB-CB 4.23Å; K280-K315 HydrophobicContact CD-CB 4.23Å
281	D	95.5	Very high	85.7	Confident	28 Å²	28	61.1 Å²	61.1	15%	0.15	31%	0.31	C	S	.	.	H	α-helix	trans	-66.6	-43.3	176.2	-65.6	-66	0	0	0	111.8	T279 Q283 I284 L285 K315 S337 A341	T279-D281 PolarHBondContact O-N 2.78Å; D281-Q283 VanDerWaalsContact C-N 3.26Å; D281-Q283 PolarHBondContact O-N 2.99Å; D281-I284 PolarHBondContact O-N 2.89Å; D281-L285 WeakPolarHBondContact O-CB 3.28Å; D281-L285 PolarHBondContact O-N 3.16Å; D281-K315 WeakPolarHBondContact OD1-CD 3.37Å; D281-K315 VanDerWaalsContact OD1-CE 3.32Å; D281-K315 WeakPolarHBondContact OD1-CE 3.37Å; D281-K315 IonicContact OD1-NZ 3.71Å; D281-K315 PolarHBondContact OD1-NZ 2.84Å; D281-K315 IonicContact OD2-NZ 2.72Å; D281-S337 VanDerWaalsContact OD1-CA 3.23Å; D281-S337 WeakPolarHBondContact OD1-CA 3.27Å; D281-S337 VanDerWaalsContact OD1-CB 3.27Å; D281-S337 WeakPolarHBondContact OD1-CB 3.16Å; D281-A341 HydrophobicContact CB-CB 4Å; D281-A341 WeakPolarHBondContact O-CB 3.4Å
282	Q	94	Very high	86.2	Confident	58 Å²	58	58.9 Å²	58.9	27%	0.271	30%	0.3	S	S	.	.	H	α-helix	trans	-62.1	-33.2	172.7	-73.3	171.3	-17.5	0	0	112.4	L277 S278 T279 H286 A341	L277-Q282 HydrophobicContact CD2-CB 4.47Å; S278-Q282 PolarHBondContact OG-OE1 2.9Å; T279-Q282 PolarHBondContact O-N 2.89Å; T279-Q282 WeakPolarHBondContact OG1-CG 3.47Å; T279-Q282 PolarHBondContact OG1-N 2.87Å; T279-Q282 VanDerWaalsContact OG1-N 3.07Å; Q282-H286 VanDerWaalsContact O-CB 3.29Å; Q282-H286 WeakPolarHBondContact O-CB 3.49Å; Q282-H286 PolarHBondContact O-N 2.87Å; Q282-A341 HydrophobicContact CG-CB 4.46Å
283	Q	94.9	Very high	87.1	Confident	70 Å²	70	54 Å²	54	33%	0.327	28%	0.278	S	S	.	.	H	α-helix	trans	-69.1	-42	174.3	-65.9	164.5	10.4	0	0	111.9	L277 T279 K280 D281 H286 E287	L277-Q283 HydrophobicContact CB-CG 3.92Å; L277-Q283 HydrophobicContact CD1-CG 4.43Å; L277-Q283 PolarHBondContact O-NE2 2.86Å; T279-Q283 WeakPolarHBondContact O-CG 3.16Å; T279-Q283 PolarHBondContact O-N 3.43Å; T279-Q283 VanDerWaalsContact O-N 3.1Å; K280-Q283 WeakPolarHBondContact O-CB 3.05Å; K280-Q283 PolarHBondContact O-N 3.07Å; D281-Q283 VanDerWaalsContact C-N 3.26Å; D281-Q283 PolarHBondContact O-N 2.99Å; Q283-H286 PolarHBondContact O-N 3.05Å; Q283-E287 PolarHBondContact O-N 2.82Å
284	I	96.9	Very high	88.6	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-45.3	174.1	-67.7	161.2	0	0	0	110.7	K280 D281 H286 F288 L308 A311 F312 K315 F334 L338	K280-I284 WeakPolarHBondContact O-CG1 3.44Å; K280-I284 PolarHBondContact O-N 3.4Å; D281-I284 PolarHBondContact O-N 2.89Å; I284-H286 VanDerWaalsContact C-N 3.35Å; I284-H286 PolarHBondContact O-N 3.26Å; I284-F288 VanDerWaalsContact O-CB 3.29Å; I284-F288 WeakPolarHBondContact O-CB 3.45Å; I284-F288 PolarHBondContact O-N 2.99Å; I284-L308 HydrophobicContact CG2-CD1 4.29Å; I284-L308 WeakPolarHBondContact O-CD1 3.43Å; I284-A311 HydrophobicContact CG1-CB 4.08Å; I284-F312 HydrophobicContact CD1-CD2 4.08Å; I284-F312 HydrophobicContact CG1-CD2 4.49Å; I284-F312 HydrophobicContact CG2-CD2 4.3Å; I284-K315 HydrophobicContact CD1-CB 3.94Å; I284-K315 HydrophobicContact CD1-CD 4.09Å; I284-F334 HydrophobicContact CG2-CD2 4.33Å; I284-F334 HydrophobicContact CG2-CE2 3.92Å; I284-L338 HydrophobicContact CG2-CD2 4.46Å
285	L	96.8	Very high	90.3	Very high	9 Å²	9	52.8 Å²	52.8	5%	0.047	26%	0.258	C	S	.	.	H	α-helix	trans	-60.2	-42.8	174.8	175.5	69.5	0	0	0	112	L268 D281 F288 A289 L338 A341 L342	L268-L285 HydrophobicContact CD2-CD1 3.9Å; D281-L285 WeakPolarHBondContact O-CB 3.28Å; D281-L285 PolarHBondContact O-N 3.16Å; L285-F288 PolarHBondContact O-N 2.78Å; L285-A289 WeakPolarHBondContact O-CB 3.4Å; L285-A289 PolarHBondContact O-N 3.36Å; L285-L338 HydrophobicContact CB-CD2 4.29Å; L285-L338 HydrophobicContact CD1-CD2 3.96Å; L285-A341 HydrophobicContact CB-CB 3.66Å; L285-A341 HydrophobicContact CD2-CB 3.73Å; L285-A341 HydrophobicContact CG-CB 4.25Å; L285-L342 HydrophobicContact CD1-CD1 4.15Å; L285-L342 HydrophobicContact CD1-CD2 4.38Å; L285-L342 HydrophobicContact CD1-CG 4.23Å; L285-L342 HydrophobicContact CD2-CD2 3.58Å; L285-L342 HydrophobicContact CD2-CG 3.89Å
286	H	95.6	Very high	92.2	Very high	55 Å²	55	41 Å²	41	26%	0.255	21%	0.214	S	C	.	.	H	α-helix	trans	-64.7	-51.4	-178.6	-177.5	69.2	0	0	0	112.4	L277 Q282 Q283 I284 F288 A289 K290	L277-H286 HydrophobicContact CD1-CB 4.43Å; L277-H286 HydrophobicContact CD2-CB 3.74Å; Q282-H286 VanDerWaalsContact O-CB 3.29Å; Q282-H286 WeakPolarHBondContact O-CB 3.49Å; Q282-H286 PolarHBondContact O-N 2.87Å; Q283-H286 PolarHBondContact O-N 3.05Å; I284-H286 VanDerWaalsContact C-N 3.35Å; I284-H286 PolarHBondContact O-N 3.26Å; H286-F288 VanDerWaalsContact C-N 3.26Å; H286-F288 PolarHBondContact O-N 2.97Å; H286-A289 PolarHBondContact O-N 2.68Å; H286-K290 WeakPolarHBondContact O-CB 3.47Å; H286-K290 PolarHBondContact O-N 3.27Å
287	E	96.8	Very high	93.8	Very high	36 Å²	36	40.8 Å²	40.8	17%	0.168	21%	0.209	C	C	.	.	H	α-helix	trans	-67.4	-27.6	177.8	-64.3	-56.9	146.1	0	0	112	Q283 K290 L291 E307 L308 A311	Q283-E287 PolarHBondContact O-N 2.82Å; E287-K290 IonicContact OE2-NZ 2.69Å; E287-K290 PolarHBondContact OE2-NZ 3.05Å; E287-L291 VanDerWaalsContact O-CB 3.23Å; E287-L291 WeakPolarHBondContact O-CB 3.38Å; E287-L291 PolarHBondContact O-N 3.29Å; E287-E307 HydrophobicContact CG-CB 3.99Å; E287-E307 VanDerWaalsContact OE2-CB 3.27Å; E287-E307 WeakPolarHBondContact OE2-CB 3.24Å; E287-L308 HydrophobicContact CB-CB 4.22Å; E287-L308 HydrophobicContact CB-CD1 4.12Å; E287-A311 HydrophobicContact CG-CB 4.43Å
288	F	97.9	Very high	94.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-72.5	-42.8	172.3	-175.3	-133.9	0	0	0	112.4	I255 L258 L264 L268 I284 L285 H286 K290 L291 I292 L308 F334 L338	I255-F288 HydrophobicContact CG2-CE2 4.26Å; L258-F288 HydrophobicContact CB-CZ 4.15Å; L264-F288 HydrophobicContact CD2-CE1 4.3Å; L268-F288 HydrophobicContact CD1-CD1 3.54Å; L268-F288 HydrophobicContact CD1-CE1 3.27Å; L268-F288 HydrophobicContact CD1-CG 4.42Å; L268-F288 HydrophobicContact CD1-CZ 3.96Å; L268-F288 HydrophobicContact CD2-CD1 4.44Å; I284-F288 VanDerWaalsContact O-CB 3.29Å; I284-F288 WeakPolarHBondContact O-CB 3.45Å; I284-F288 PolarHBondContact O-N 2.99Å; L285-F288 PolarHBondContact O-N 2.78Å; H286-F288 VanDerWaalsContact C-N 3.26Å; H286-F288 PolarHBondContact O-N 2.97Å; F288-K290 VanDerWaalsContact C-N 3.33Å; F288-K290 PolarHBondContact O-N 2.9Å; F288-L291 PolarHBondContact O-N 3.5Å; F288-I292 HydrophobicContact CD2-CG1 4.03Å; F288-I292 HydrophobicContact CE2-CD1 3.79Å; F288-I292 HydrophobicContact CE2-CG1 3.67Å; F288-I292 HydrophobicContact CZ-CD1 4.07Å; F288-I292 HydrophobicContact CZ-CG1 3.94Å; F288-I292 WeakPolarHBondContact O-CG1 3.27Å; F288-I292 PolarHBondContact O-N 3.01Å; F288-L308 HydrophobicContact CB-CD1 3.99Å; F288-L308 HydrophobicContact CB-CD2 4.28Å; F288-L308 HydrophobicContact CD2-CD2 3.97Å; F288-F334 HydrophobicContact CB-CZ 4.02Å; F288-F334 AromaticContact CD1-CE1 3.87Å; F288-F334 HydrophobicContact CD1-CE1 3.87Å; F288-F334 AromaticContact CD1-CZ 3.94Å; F288-F334 HydrophobicContact CD1-CZ 3.94Å; F288-F334 HydrophobicContact CD2-CE1 4.02Å; F288-F334 AromaticContact CD2-CZ 3.71Å; F288-F334 HydrophobicContact CD2-CZ 3.71Å; F288-F334 AromaticContact CE1-CE1 3.81Å; F288-F334 HydrophobicContact CE1-CE1 3.81Å; F288-F334 HydrophobicContact CE1-CZ 4.31Å; F288-F334 AromaticContact CE2-CE1 3.99Å; F288-F334 HydrophobicContact CE2-CE1 3.99Å; F288-F334 HydrophobicContact CE2-CZ 4.12Å; F288-F334 AromaticContact CG-CE1 3.98Å; F288-F334 HydrophobicContact CG-CE1 3.98Å; F288-F334 AromaticContact CG-CZ 3.62Å; F288-F334 HydrophobicContact CG-CZ 3.62Å; F288-F334 AromaticContact CZ-CE1 3.88Å; F288-F334 HydrophobicContact CZ-CE1 3.88Å; F288-F334 HydrophobicContact CZ-CZ 4.41Å; F288-L338 HydrophobicContact CB-CD2 4.34Å; F288-L338 HydrophobicContact CD1-CD1 3.65Å; F288-L338 HydrophobicContact CD1-CD2 3.67Å; F288-L338 HydrophobicContact CD1-CG 4.31Å; F288-L338 HydrophobicContact CE1-CD1 3.57Å; F288-L338 HydrophobicContact CE1-CD2 4.46Å; F288-L338 HydrophobicContact CG-CD2 4.4Å
289	A	97.4	Very high	95	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-59.9	-44.8	175.2	0	0	0	0	0	111.3	L268 H271 L285 H286 I292 Q293	L268-A289 HydrophobicContact CD2-CB 3.83Å; H271-A289 HydrophobicContact CB-CB 4.27Å; L285-A289 WeakPolarHBondContact O-CB 3.4Å; L285-A289 PolarHBondContact O-N 3.36Å; H286-A289 PolarHBondContact O-N 2.68Å; A289-I292 PolarHBondContact O-N 2.98Å; A289-Q293 VanDerWaalsContact O-CG 3.24Å; A289-Q293 WeakPolarHBondContact O-CG 3.3Å; A289-Q293 PolarHBondContact O-N 3.26Å; A289-Q293 PolarHBondContact O-NE2 3.07Å
290	K	96.5	Very high	95	Very high	72 Å²	72	40.2 Å²	40.2	31%	0.313	20%	0.203	S	C	.	.	H	α-helix	trans	-61.7	-46.7	173.6	174.9	179.6	150.1	-148.1	0	112.3	H286 E287 F288 I292 Q293 E294	H286-K290 WeakPolarHBondContact O-CB 3.47Å; H286-K290 PolarHBondContact O-N 3.27Å; E287-K290 IonicContact OE2-NZ 2.69Å; E287-K290 PolarHBondContact OE2-NZ 3.05Å; F288-K290 VanDerWaalsContact C-N 3.33Å; F288-K290 PolarHBondContact O-N 2.9Å; K290-I292 VanDerWaalsContact C-N 3.31Å; K290-I292 PolarHBondContact O-N 2.77Å; K290-Q293 WeakPolarHBondContact O-CB 3.3Å; K290-Q293 PolarHBondContact O-N 3.48Å; K290-Q293 VanDerWaalsContact O-N 3.12Å; K290-E294 WeakPolarHBondContact CE-OE1 3.15Å; K290-E294 WeakPolarHBondContact CG-OE1 3.28Å; K290-E294 WeakPolarHBondContact O-CG 3.47Å; K290-E294 PolarHBondContact O-N 3.21Å
291	L	97.4	Very high	95	Very high	6 Å²	6	41.3 Å²	41.3	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-58.7	-42.2	176	179.1	60.7	0	0	0	111.9	L242 I255 E287 F288 E294 M295 V303 P305 L308	L242-L291 HydrophobicContact CD2-CD1 3.91Å; L242-L291 HydrophobicContact CD2-CD2 4.46Å; I255-L291 HydrophobicContact CD1-CD2 4.12Å; I255-L291 HydrophobicContact CG2-CD2 3.94Å; E287-L291 VanDerWaalsContact O-CB 3.23Å; E287-L291 WeakPolarHBondContact O-CB 3.38Å; E287-L291 PolarHBondContact O-N 3.29Å; F288-L291 PolarHBondContact O-N 3.5Å; L291-E294 PolarHBondContact O-N 3.14Å; L291-M295 HydrophobicContact CD1-CG 4.15Å; L291-M295 HydrophobicContact CD1-SD 4.15Å; L291-M295 HydrophobicContact CD2-SD 4.49Å; L291-M295 HydrophobicContact CG-CG 4.39Å; L291-M295 HydrophobicContact CG-SD 3.91Å; L291-M295 WeakPolarHBondContact O-CB 3.34Å; L291-M295 VanDerWaalsContact O-CG 3.23Å; L291-M295 WeakPolarHBondContact O-CG 3.46Å; L291-M295 PolarHBondContact O-N 3.21Å; L291-V303 HydrophobicContact CD1-CB 4.1Å; L291-V303 HydrophobicContact CD1-CG1 3.41Å; L291-V303 VanDerWaalsContact CD1-CG1 3.41Å; L291-P305 HydrophobicContact CD1-CB 4.41Å; L291-P305 HydrophobicContact CD2-CB 3.84Å; L291-L308 HydrophobicContact CD2-CD2 3.51Å
292	I	97.6	Very high	95	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.2	-38.5	175.3	-69.2	-62.9	0	0	0	111.5	S259 T265 L268 R269 F288 A289 K290 M295 W296	S259-I292 WeakPolarHBondContact OG-CD1 3.19Å; T265-I292 HydrophobicContact CG2-CG2 3.96Å; L268-I292 HydrophobicContact CB-CB 4.16Å; L268-I292 HydrophobicContact CB-CG1 4.48Å; L268-I292 HydrophobicContact CB-CG2 3.88Å; L268-I292 HydrophobicContact CD1-CG1 3.96Å; R269-I292 HydrophobicContact CG-CG2 4.18Å; F288-I292 HydrophobicContact CD2-CG1 4.03Å; F288-I292 HydrophobicContact CE2-CD1 3.79Å; F288-I292 HydrophobicContact CE2-CG1 3.67Å; F288-I292 HydrophobicContact CZ-CD1 4.07Å; F288-I292 HydrophobicContact CZ-CG1 3.94Å; F288-I292 WeakPolarHBondContact O-CG1 3.27Å; F288-I292 PolarHBondContact O-N 3.01Å; A289-I292 PolarHBondContact O-N 2.98Å; K290-I292 VanDerWaalsContact C-N 3.31Å; K290-I292 PolarHBondContact O-N 2.77Å; I292-M295 HydrophobicContact CD1-SD 4.44Å; I292-W296 WeakPolarHBondContact O-CB 3.34Å; I292-W296 VanDerWaalsContact O-CD1 3.27Å; I292-W296 PolarHBondContact O-N 3.03Å
293	Q	96.1	Very high	95.2	Very high	51 Å²	51	39.9 Å²	39.9	24%	0.238	21%	0.206	C	C	.	.	H	α-helix	trans	-62.7	-42.6	173.5	-71.2	159.4	30.3	0	0	111.4	L268 H271 A289 K290 W296 T297	L268-Q293 PolarHBondContact O-NE2 3.05Å; H271-Q293 PolarHBondContact O-NE2 2.79Å; A289-Q293 VanDerWaalsContact O-CG 3.24Å; A289-Q293 WeakPolarHBondContact O-CG 3.3Å; A289-Q293 PolarHBondContact O-N 3.26Å; A289-Q293 PolarHBondContact O-NE2 3.07Å; K290-Q293 WeakPolarHBondContact O-CB 3.3Å; K290-Q293 PolarHBondContact O-N 3.48Å; K290-Q293 VanDerWaalsContact O-N 3.12Å; Q293-W296 CarbonylContact O-C 3.52Å; Q293-T297 PolarHBondContact O-N 3.33Å; Q293-T297 PolarHBondContact O-OG1 2.9Å
294	E	95.7	Very high	95.3	Very high	78 Å²	78	39.8 Å²	39.8	36%	0.364	21%	0.21	S	C	.	.	H	α-helix	trans	-66.6	-45.3	175.9	-69.5	174.8	-154.2	0	0	112.5	K290 L291 W296 T297 V300 V303	K290-E294 WeakPolarHBondContact CE-OE1 3.15Å; K290-E294 WeakPolarHBondContact CG-OE1 3.28Å; K290-E294 WeakPolarHBondContact O-CG 3.47Å; K290-E294 PolarHBondContact O-N 3.21Å; L291-E294 PolarHBondContact O-N 3.14Å; E294-W296 VanDerWaalsContact C-N 3.31Å; E294-W296 PolarHBondContact O-N 3.08Å; E294-T297 PolarHBondContact O-N 3.17Å; E294-V300 WeakPolarHBondContact O-CB 3.37Å; E294-V300 WeakPolarHBondContact O-CG1 3.46Å; E294-V303 HydrophobicContact CB-CG1 4.49Å; E294-V303 HydrophobicContact CB-CG2 3.95Å; E294-V303 VanDerWaalsContact OE2-CG1 3.31Å; E294-V303 WeakPolarHBondContact OE2-CG1 3.48Å
295	M	96.1	Very high	95.4	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.7	-31.1	178.1	-71.5	174.3	75.2	0	0	113.5	G238 C240 L242 I255 L291 I292	G238-M295 WeakPolarHBondContact CA-O 3.32Å; G238-M295 PolarHBondContact N-O 3.08Å; G238-M295 VanDerWaalsContact N-O 3.14Å; C240-M295 HydrophobicContact CB-CB 4.16Å; C240-M295 HydrophobicContact CB-CG 4.3Å; L242-M295 HydrophobicContact CD1-CE 4.18Å; L242-M295 HydrophobicContact CD1-SD 4.4Å; L242-M295 HydrophobicContact CD2-CE 4.25Å; L242-M295 HydrophobicContact CD2-CG 4.31Å; L242-M295 HydrophobicContact CD2-SD 3.88Å; L242-M295 HydrophobicContact CG-CE 4.21Å; L242-M295 HydrophobicContact CG-SD 4.43Å; I255-M295 HydrophobicContact CG2-SD 4.12Å; L291-M295 HydrophobicContact CD1-CG 4.15Å; L291-M295 HydrophobicContact CD1-SD 4.15Å; L291-M295 HydrophobicContact CD2-SD 4.49Å; L291-M295 HydrophobicContact CG-CG 4.39Å; L291-M295 HydrophobicContact CG-SD 3.91Å; L291-M295 WeakPolarHBondContact O-CB 3.34Å; L291-M295 VanDerWaalsContact O-CG 3.23Å; L291-M295 WeakPolarHBondContact O-CG 3.46Å; L291-M295 PolarHBondContact O-N 3.21Å; I292-M295 HydrophobicContact CD1-SD 4.44Å
296	W	95.3	Very high	95.4	Very high	14 Å²	14	43.5 Å²	43.5	5%	0.053	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	41.7	175.8	-64.8	84.7	0	0	0	111.5	E237 S259 T265 R269 I292 Q293 E294 P530	E237-W296 HydrophobicContact CB-CE3 3.88Å; E237-W296 HydrophobicContact CB-CZ3 4.42Å; E237-W296 WeakPolarHBondContact O-CZ3 3.32Å; S259-W296 WeakPolarHBondContact O-CZ2 3.45Å; S259-W296 PolarHBondContact O-NE1 3.1Å; S259-W296 PolarHBondContact OG-NE1 3.13Å; T265-W296 HydrophobicContact CG2-CD2 4.11Å; T265-W296 HydrophobicContact CG2-CG 4.12Å; T265-W296 HydrophobicContact CG2-CZ2 4.42Å; R269-W296 HydrophobicContact CG-CB 4.3Å; R269-W296 VanDerWaalsContact CZ-O 3.3Å; R269-W296 PolarHBondContact NH2-O 3.11Å; I292-W296 WeakPolarHBondContact O-CB 3.34Å; I292-W296 VanDerWaalsContact O-CD1 3.27Å; I292-W296 PolarHBondContact O-N 3.03Å; Q293-W296 CarbonylContact O-C 3.52Å; E294-W296 VanDerWaalsContact C-N 3.31Å; E294-W296 PolarHBondContact O-N 3.08Å; W296-P530 HydrophobicContact CH2-CG 3.64Å; W296-P530 HydrophobicContact CZ3-CG 4.05Å
297	T	93.1	Very high	95.4	Very high	72 Å²	72	44.1 Å²	44.1	44%	0.442	23%	0.232	S	C	.	.	S	Bend	trans	-112	133	165.6	-68.4	0	0	0	0	109.3	Q293 E294 V300	Q293-T297 PolarHBondContact O-N 3.33Å; Q293-T297 PolarHBondContact O-OG1 2.9Å; E294-T297 PolarHBondContact O-N 3.17Å; T297-V300 HydrophobicContact CG2-CG2 3.87Å; T297-V300 WeakPolarHBondContact O-CB 3.49Å; T297-V300 PolarHBondContact O-N 2.71Å
298	A	89.2	Confident	95.4	Very high	30 Å²	30	42.6 Å²	42.6	25%	0.248	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	141.2	179.1	0	0	0	0	0	112.4	D233 E237 V300	D233-A298 HydrophobicContact CB-CB 4.32Å; E237-A298 HydrophobicContact CG-CB 4.43Å; A298-V300 PolarHBondContact O-N 3.03Å
299	N	86.4	Confident	95.4	Very high	118 Å²	118	43.4 Å²	43.4	63%	0.631	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.2	9.1	-175.8	-47.5	-84.2	0	0	0	115.9
300	V	92.3	Very high	95.4	Very high	46 Å²	46	50.7 Å²	50.7	28%	0.279	26%	0.255	S	S	.	.			trans	-91.5	105.8	171.5	-176.6	0	0	0	0	110.2	C240 E294 T297 A298 V303	C240-V300 WeakPolarHBondContact CB-O 3.24Å; E294-V300 WeakPolarHBondContact O-CB 3.37Å; E294-V300 WeakPolarHBondContact O-CG1 3.46Å; T297-V300 HydrophobicContact CG2-CG2 3.87Å; T297-V300 WeakPolarHBondContact O-CB 3.49Å; T297-V300 PolarHBondContact O-N 2.71Å; A298-V300 PolarHBondContact O-N 3.03Å; V300-V303 HydrophobicContact CG1-CG2 3.61Å
301	H	93.1	Very high	95.4	Very high	124 Å²	124	47.8 Å²	47.8	57%	0.574	25%	0.245	S	C	*	.			trans	-96.9	-15.1	-177.6	-57.8	-55.1	0	0	0	114.5	G241	G241-H301 PolarHBondContact N-O 2.85Å
302	T	96.8	Very high	95.4	Very high	44 Å²	44	47.7 Å²	47.7	27%	0.27	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	128.8	179.5	-64.7	0	0	0	0	111.5	G241 R243 N541	G241-T302 WeakPolarHBondContact O-CA 3.45Å; R243-T302 HydrophobicContact CG-CG2 3.48Å; R243-T302 VanDerWaalsContact CG-CG2 3.48Å; T302-N541 HydrophobicContact CG2-CB 3.73Å
303	V	97.4	Very high	95.3	Very high	11 Å²	11	48.3 Å²	48.3	7%	0.067	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	158.8	172.2	178.6	0	0	0	0	110.4	G241 L242 R243 L291 E294 V300	G241-V303 PolarHBondContact O-N 2.87Å; L242-V303 WeakPolarHBondContact CA-O 3.47Å; L242-V303 HydrophobicContact CD2-CB 4.34Å; R243-V303 PolarHBondContact N-O 3.14Å; L291-V303 HydrophobicContact CD1-CB 4.1Å; L291-V303 HydrophobicContact CD1-CG1 3.41Å; L291-V303 VanDerWaalsContact CD1-CG1 3.41Å; E294-V303 HydrophobicContact CB-CG1 4.49Å; E294-V303 HydrophobicContact CB-CG2 3.95Å; E294-V303 VanDerWaalsContact OE2-CG1 3.31Å; E294-V303 WeakPolarHBondContact OE2-CG1 3.48Å; V300-V303 HydrophobicContact CG1-CG2 3.61Å
304	T	97.9	Very high	95.2	Very high	69 Å²	69	49 Å²	49	42%	0.423	26%	0.256	S	S	.	.			trans	-111.7	107	175	-52.5	0	0	0	0	109.4	R243 I245 M306	R243-T304 HydrophobicContact CB-CG2 4.31Å; R243-T304 WeakPolarHBondContact CD-OG1 3.14Å; I245-T304 HydrophobicContact CD1-CG2 3.86Å; I245-T304 HydrophobicContact CG1-CG2 4.29Å; T304-M306 HydrophobicContact CG2-CB 4.26Å; T304-M306 PolarHBondContact O-N 2.76Å
305	P	97.1	Very high	95.2	Very high	4 Å²	4	47.9 Å²	47.9	3%	0.026	25%	0.25	C	S	.	.			trans	-75.8	41.4	-174.7	31.8	-36.7	0	0	0	114.4	L242 I245 M251 L291 L308 K309	L242-P305 HydrophobicContact CB-CG 4.42Å; L242-P305 HydrophobicContact CD2-CG 4.31Å; I245-P305 HydrophobicContact CD1-CG 4.02Å; M251-P305 HydrophobicContact CE-CB 4.08Å; M251-P305 HydrophobicContact CE-CG 3.74Å; L291-P305 HydrophobicContact CD1-CB 4.41Å; L291-P305 HydrophobicContact CD2-CB 3.84Å; P305-L308 PolarHBondContact O-N 3.18Å; P305-K309 PolarHBondContact O-N 2.9Å
306	M	96.8	Very high	95.2	Very high	83 Å²	83	48.9 Å²	48.9	41%	0.409	25%	0.254	S	S	.	.	H	α-helix	trans	-64.5	-49.9	-173.6	-177.2	65.8	78.8	0	0	112.4	I245 T304 L308 K309 R310	I245-M306 HydrophobicContact CD1-CB 4.05Å; I245-M306 HydrophobicContact CD1-CE 4.41Å; I245-M306 HydrophobicContact CD1-SD 4.35Å; I245-M306 HydrophobicContact CG2-CE 3.44Å; I245-M306 VanDerWaalsContact CG2-CE 3.44Å; I245-M306 HydrophobicContact CG2-SD 3.89Å; T304-M306 HydrophobicContact CG2-CB 4.26Å; T304-M306 PolarHBondContact O-N 2.76Å; M306-L308 VanDerWaalsContact C-N 3.31Å; M306-L308 PolarHBondContact O-N 3.1Å; M306-K309 PolarHBondContact O-N 3.33Å; M306-R310 WeakPolarHBondContact O-CB 3.31Å; M306-R310 PolarHBondContact O-N 2.9Å
307	E	96.8	Very high	95	Very high	68 Å²	68	58.4 Å²	58.4	32%	0.318	29%	0.29	S	S	.	.	H	α-helix	trans	-66.6	-35	-178.8	-63.8	-52	126.2	0	0	111.8	E287 R310 A311	E287-E307 HydrophobicContact CG-CB 3.99Å; E287-E307 VanDerWaalsContact OE2-CB 3.27Å; E287-E307 WeakPolarHBondContact OE2-CB 3.24Å; E307-R310 PolarHBondContact O-N 2.6Å; E307-R310 IonicContact OE1-NE 2.77Å; E307-R310 IonicContact OE2-CZ 3.99Å; E307-R310 IonicContact OE2-NE 3.76Å; E307-R310 PolarHBondContact OE2-NE 3.36Å; E307-R310 IonicContact OE2-NH2 3.94Å; E307-R310 PolarHBondContact OE2-NH2 2.8Å; E307-A311 WeakPolarHBondContact O-CB 3.45Å; E307-A311 PolarHBondContact O-N 3.25Å
308	L	97.5	Very high	95	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-66.3	-43.5	172.8	-174	58.5	0	0	0	112	I255 I284 E287 F288 L291 P305 M306 R310 A311 F312 F334	I255-L308 HydrophobicContact CD1-CD2 3.75Å; I255-L308 HydrophobicContact CG1-CD2 4.47Å; I284-L308 HydrophobicContact CG2-CD1 4.29Å; I284-L308 WeakPolarHBondContact O-CD1 3.43Å; E287-L308 HydrophobicContact CB-CB 4.22Å; E287-L308 HydrophobicContact CB-CD1 4.12Å; F288-L308 HydrophobicContact CB-CD1 3.99Å; F288-L308 HydrophobicContact CB-CD2 4.28Å; F288-L308 HydrophobicContact CD2-CD2 3.97Å; L291-L308 HydrophobicContact CD2-CD2 3.51Å; P305-L308 PolarHBondContact O-N 3.18Å; M306-L308 VanDerWaalsContact C-N 3.31Å; M306-L308 PolarHBondContact O-N 3.1Å; L308-R310 VanDerWaalsContact C-N 3.3Å; L308-R310 PolarHBondContact O-N 2.92Å; L308-A311 PolarHBondContact O-N 3.33Å; L308-F312 VanDerWaalsContact O-CB 3.25Å; L308-F312 WeakPolarHBondContact O-CB 3.39Å; L308-F312 PolarHBondContact O-N 3Å; L308-F334 HydrophobicContact CD1-CE2 4Å; L308-F334 HydrophobicContact CD1-CZ 4.28Å; L308-F334 HydrophobicContact CD2-CE2 4.25Å; L308-F334 HydrophobicContact CD2-CZ 4.07Å; L308-F334 HydrophobicContact CG-CE2 4.36Å
309	K	97.1	Very high	95.2	Very high	17 Å²	17	57.6 Å²	57.6	7%	0.074	28%	0.277	C	S	.	.	H	α-helix	trans	-56.7	-46.7	171.4	-169.2	-165.1	-167.7	-65.6	0	110.1	I245 T248 M251 P305 M306 F312 S313 Y319 S320 D321	I245-K309 HydrophobicContact CB-CD 4.5Å; I245-K309 HydrophobicContact CG2-CD 4.48Å; T248-K309 HydrophobicContact CG2-CD 4.22Å; M251-K309 HydrophobicContact CE-CB 4.35Å; M251-K309 HydrophobicContact SD-CB 4.39Å; P305-K309 PolarHBondContact O-N 2.9Å; M306-K309 PolarHBondContact O-N 3.33Å; K309-F312 PolarHBondContact O-N 2.85Å; K309-S313 VanDerWaalsContact O-CB 3.28Å; K309-S313 WeakPolarHBondContact O-CB 3.35Å; K309-S313 PolarHBondContact O-N 2.9Å; K309-S313 PolarHBondContact O-OG 2.58Å; K309-Y319 PolarHBondContact NZ-O 3.39Å; K309-S320 PolarHBondContact NZ-O 3.25Å; K309-D321 PolarHBondContact NZ-O 2.8Å
310	R	96.8	Very high	95.4	Very high	154 Å²	154	54.3 Å²	54.3	58%	0.581	26%	0.264	S	S	*	.	H	α-helix	trans	-62.7	-46.7	-177.9	-167.4	173.6	70.9	89.4	-0.1	111.8	M306 E307 L308 T314	M306-R310 WeakPolarHBondContact O-CB 3.31Å; M306-R310 PolarHBondContact O-N 2.9Å; E307-R310 PolarHBondContact O-N 2.6Å; E307-R310 IonicContact OE1-NE 2.77Å; E307-R310 IonicContact OE2-CZ 3.99Å; E307-R310 IonicContact OE2-NE 3.76Å; E307-R310 PolarHBondContact OE2-NE 3.36Å; E307-R310 IonicContact OE2-NH2 3.94Å; E307-R310 PolarHBondContact OE2-NH2 2.8Å; L308-R310 VanDerWaalsContact C-N 3.3Å; L308-R310 PolarHBondContact O-N 2.92Å; R310-T314 WeakPolarHBondContact O-CB 3.21Å; R310-T314 PolarHBondContact O-N 2.85Å; R310-T314 PolarHBondContact O-OG1 2.84Å
311	A	96.8	Very high	95.3	Very high	11 Å²	11	56.7 Å²	56.7	9%	0.091	28%	0.275	C	S	.	.	H	α-helix	trans	-62.5	-46.4	175.8	0	0	0	0	0	111.8	I284 E287 E307 L308 T314	I284-A311 HydrophobicContact CG1-CB 4.08Å; E287-A311 HydrophobicContact CG-CB 4.43Å; E307-A311 WeakPolarHBondContact O-CB 3.45Å; E307-A311 PolarHBondContact O-N 3.25Å; L308-A311 PolarHBondContact O-N 3.33Å; A311-T314 WeakPolarHBondContact O-CB 3.26Å; A311-T314 PolarHBondContact O-N 3.1Å
312	F	96.9	Very high	95.3	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.018	27%	0.274	C	S	.	.	H	α-helix	trans	-64.9	-47.7	-179	-169.3	-103.6	0	0	0	112.6	I284 L308 K309 T314 K315 H316 Y319 F330 F333 F334	I284-F312 HydrophobicContact CD1-CD2 4.08Å; I284-F312 HydrophobicContact CG1-CD2 4.49Å; I284-F312 HydrophobicContact CG2-CD2 4.3Å; L308-F312 VanDerWaalsContact O-CB 3.25Å; L308-F312 WeakPolarHBondContact O-CB 3.39Å; L308-F312 PolarHBondContact O-N 3Å; K309-F312 PolarHBondContact O-N 2.85Å; F312-T314 PolarHBondContact O-N 2.96Å; F312-K315 PolarHBondContact O-N 2.86Å; F312-H316 AromaticContact CD2-CD2 3.68Å; F312-H316 HydrophobicContact CE1-CB 4.22Å; F312-H316 AromaticContact CE1-CD2 3.92Å; F312-H316 AromaticContact CE2-CD2 3.27Å; F312-H316 WeakPolarHBondContact CE2-CD2 3.29Å; F312-H316 AromaticContact CE2-NE2 3.63Å; F312-H316 HydrophobicContact CZ-CB 4.44Å; F312-H316 AromaticContact CZ-CD2 3.42Å; F312-H316 VanDerWaalsContact CZ-CD2 3.42Å; F312-H316 WeakPolarHBondContact CZ-CD2 3.14Å; F312-H316 AromaticContact CZ-NE2 3.98Å; F312-H316 PolarHBondContact O-N 2.68Å; F312-Y319 HydrophobicContact CD1-CD2 4.16Å; F312-Y319 AromaticContact CD1-CG 3.97Å; F312-Y319 HydrophobicContact CD1-CG 3.97Å; F312-Y319 HydrophobicContact CE1-CD1 4.01Å; F312-Y319 AromaticContact CE1-CD2 3.48Å; F312-Y319 HydrophobicContact CE1-CD2 3.48Å; F312-Y319 VanDerWaalsContact CE1-CD2 3.48Å; F312-Y319 HydrophobicContact CE1-CE1 4.32Å; F312-Y319 AromaticContact CE1-CE2 3.85Å; F312-Y319 HydrophobicContact CE1-CE2 3.85Å; F312-Y319 AromaticContact CE1-CG 3.59Å; F312-Y319 HydrophobicContact CE1-CG 3.59Å; F312-Y319 HydrophobicContact CZ-CD2 4.39Å; F312-Y319 HydrophobicContact CZ-CE2 4.41Å; F312-F330 HydrophobicContact CD1-CD2 4.21Å; F312-F330 AromaticContact CD1-CE2 3.79Å; F312-F330 HydrophobicContact CD1-CE2 3.79Å; F312-F330 HydrophobicContact CD2-CE2 4.4Å; F312-F330 AromaticContact CE1-CD2 3.48Å; F312-F330 HydrophobicContact CE1-CD2 3.48Å; F312-F330 VanDerWaalsContact CE1-CD2 3.48Å; F312-F330 AromaticContact CE1-CE2 3.44Å; F312-F330 HydrophobicContact CE1-CE2 3.44Å; F312-F330 VanDerWaalsContact CE1-CE2 3.44Å; F312-F330 HydrophobicContact CE2-CE2 4.12Å; F312-F330 HydrophobicContact CG-CE2 4.24Å; F312-F330 AromaticContact CZ-CD2 3.7Å; F312-F330 HydrophobicContact CZ-CD2 3.7Å; F312-F330 AromaticContact CZ-CE2 3.62Å; F312-F330 HydrophobicContact CZ-CE2 3.62Å; F312-F333 HydrophobicContact CE2-CB 4.36Å; F312-F333 HydrophobicContact CZ-CB 3.79Å; F312-F334 AromaticContact CD2-CD2 3.79Å; F312-F334 HydrophobicContact CD2-CD2 3.79Å; F312-F334 HydrophobicContact CD2-CE2 4.37Å; F312-F334 HydrophobicContact CE2-CB 4.18Å; F312-F334 AromaticContact CE2-CD2 3.75Å; F312-F334 HydrophobicContact CE2-CD2 3.75Å; F312-F334 HydrophobicContact CE2-CG 4.48Å
313	S	95.9	Very high	95.1	Very high	12 Å²	12	60 Å²	60	8%	0.084	29%	0.285	C	S	.	.	H	α-helix	trans	-56.3	-34.6	174.7	-55.6	0	0	0	0	112.6	K309 K315 H316 Y319	K309-S313 VanDerWaalsContact O-CB 3.28Å; K309-S313 WeakPolarHBondContact O-CB 3.35Å; K309-S313 PolarHBondContact O-N 2.9Å; K309-S313 PolarHBondContact O-OG 2.58Å; S313-K315 VanDerWaalsContact C-N 3.28Å; S313-K315 PolarHBondContact O-N 3.35Å; S313-H316 CarbonylContact O-C 3.44Å; S313-H316 PolarHBondContact O-N 2.73Å; S313-Y319 PolarHBondContact OG-O 3.1Å
314	T	95.1	Very high	94.9	Very high	66 Å²	66	62.6 Å²	62.6	41%	0.405	30%	0.297	S	S	.	.	H	α-helix	trans	-66.3	-27.6	179.5	-60	0	0	0	0	112.2	K280 R310 A311 F312	K280-T314 HydrophobicContact CD-CG2 4.17Å; K280-T314 WeakPolarHBondContact CD-O 3.29Å; K280-T314 WeakPolarHBondContact CE-O 3.43Å; K280-T314 PolarHBondContact NZ-O 2.92Å; R310-T314 WeakPolarHBondContact O-CB 3.21Å; R310-T314 PolarHBondContact O-N 2.85Å; R310-T314 PolarHBondContact O-OG1 2.84Å; A311-T314 WeakPolarHBondContact O-CB 3.26Å; A311-T314 PolarHBondContact O-N 3.1Å; F312-T314 PolarHBondContact O-N 2.96Å
315	K	95.3	Very high	94.7	Very high	55 Å²	55	61.4 Å²	61.4	24%	0.239	29%	0.287	C	S	.	.	H	α-helix	trans	-86.2	-52.2	167	-176.8	177.1	167.3	-167.1	0	111.1	K280 D281 I284 F312 S313 D336 S337	K280-K315 HydrophobicContact CB-CB 4.23Å; K280-K315 HydrophobicContact CD-CB 4.23Å; D281-K315 WeakPolarHBondContact OD1-CD 3.37Å; D281-K315 VanDerWaalsContact OD1-CE 3.32Å; D281-K315 WeakPolarHBondContact OD1-CE 3.37Å; D281-K315 IonicContact OD1-NZ 3.71Å; D281-K315 PolarHBondContact OD1-NZ 2.84Å; D281-K315 IonicContact OD2-NZ 2.72Å; I284-K315 HydrophobicContact CD1-CB 3.94Å; I284-K315 HydrophobicContact CD1-CD 4.09Å; F312-K315 PolarHBondContact O-N 2.86Å; S313-K315 VanDerWaalsContact C-N 3.28Å; S313-K315 PolarHBondContact O-N 3.35Å; K315-D336 IonicContact NZ-OD2 3.13Å; K315-D336 PolarHBondContact NZ-OD2 2.69Å; K315-S337 PolarHBondContact NZ-OG 3.45Å
316	H	95.3	Very high	94.6	Very high	20 Å²	20	63 Å²	63	9%	0.093	30%	0.295	C	S	.	.			trans	-107.7	86.5	-168.4	-55.1	-74.6	0	0	0	111.5	F312 S313 M318 Y319 F333 S337	F312-H316 AromaticContact CD2-CD2 3.68Å; F312-H316 HydrophobicContact CE1-CB 4.22Å; F312-H316 AromaticContact CE1-CD2 3.92Å; F312-H316 AromaticContact CE2-CD2 3.27Å; F312-H316 WeakPolarHBondContact CE2-CD2 3.29Å; F312-H316 AromaticContact CE2-NE2 3.63Å; F312-H316 HydrophobicContact CZ-CB 4.44Å; F312-H316 AromaticContact CZ-CD2 3.42Å; F312-H316 VanDerWaalsContact CZ-CD2 3.42Å; F312-H316 WeakPolarHBondContact CZ-CD2 3.14Å; F312-H316 AromaticContact CZ-NE2 3.98Å; F312-H316 PolarHBondContact O-N 2.68Å; S313-H316 CarbonylContact O-C 3.44Å; S313-H316 PolarHBondContact O-N 2.73Å; H316-M318 PolarHBondContact O-N 2.99Å; H316-Y319 HydrophobicContact CB-CD2 3.7Å; H316-Y319 HydrophobicContact CB-CE2 4.26Å; H316-Y319 PolarHBondContact O-N 3.2Å; H316-F333 AromaticContact CE1-CD1 3.6Å; H316-F333 AromaticContact CE1-CG 3.97Å; H316-F333 AromaticContact ND1-CD1 3.77Å; H316-F333 PolarHBondContact NE2-O 2.84Å; H316-S337 PolarHBondContact NE2-OG 3.25Å
317	R	92.4	Very high	94.7	Very high	214 Å²	214	59 Å²	59	81%	0.808	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-55.4	-23.9	-169.6	-70.2	-179	63.4	-174.9	-1.3	116.1	Y319 S320	R317-Y319 PolarHBondContact O-N 2.96Å; R317-S320 WeakPolarHBondContact O-CB 3.12Å; R317-S320 PolarHBondContact O-N 2.82Å; R317-S320 PolarHBondContact O-OG 2.72Å; R317-S320 VanDerWaalsContact O-OG 3.07Å
318	M	92.3	Very high	94.7	Very high	75 Å²	75	57 Å²	57	37%	0.369	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-67	-18	176.1	67	-160.6	-77.8	0	0	113.5	H316 Q325 E329 F333	H316-M318 PolarHBondContact O-N 2.99Å; M318-Q325 PolarHBondContact O-NE2 3.4Å; M318-E329 WeakPolarHBondContact CE-OE2 3.42Å; M318-F333 HydrophobicContact SD-CE2 4.05Å
319	Y	92.8	Very high	94.7	Very high	10 Å²	10	59.7 Å²	59.7	4%	0.039	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-96.4	1.9	177.6	-62.3	-87.7	0	0	0	113.5	F250 K309 F312 S313 H316 R317 D321 Q325 F330 F333	F250-Y319 HydrophobicContact CD2-CE1 4.48Å; F250-Y319 AromaticContact CE2-CD1 3.73Å; F250-Y319 HydrophobicContact CE2-CD1 3.73Å; F250-Y319 AromaticContact CE2-CE1 3.6Å; F250-Y319 HydrophobicContact CE2-CE1 3.6Å; F250-Y319 AromaticContact CZ-CD1 3.83Å; F250-Y319 HydrophobicContact CZ-CD1 3.83Å; F250-Y319 HydrophobicContact CZ-CE1 4.07Å; K309-Y319 PolarHBondContact NZ-O 3.39Å; F312-Y319 HydrophobicContact CD1-CD2 4.16Å; F312-Y319 AromaticContact CD1-CG 3.97Å; F312-Y319 HydrophobicContact CD1-CG 3.97Å; F312-Y319 HydrophobicContact CE1-CD1 4.01Å; F312-Y319 AromaticContact CE1-CD2 3.48Å; F312-Y319 HydrophobicContact CE1-CD2 3.48Å; F312-Y319 VanDerWaalsContact CE1-CD2 3.48Å; F312-Y319 HydrophobicContact CE1-CE1 4.32Å; F312-Y319 AromaticContact CE1-CE2 3.85Å; F312-Y319 HydrophobicContact CE1-CE2 3.85Å; F312-Y319 AromaticContact CE1-CG 3.59Å; F312-Y319 HydrophobicContact CE1-CG 3.59Å; F312-Y319 HydrophobicContact CZ-CD2 4.39Å; F312-Y319 HydrophobicContact CZ-CE2 4.41Å; S313-Y319 PolarHBondContact OG-O 3.1Å; H316-Y319 HydrophobicContact CB-CD2 3.7Å; H316-Y319 HydrophobicContact CB-CE2 4.26Å; H316-Y319 PolarHBondContact O-N 3.2Å; R317-Y319 PolarHBondContact O-N 2.96Å; Y319-D321 VanDerWaalsContact C-N 3.35Å; Y319-Q325 HydrophobicContact CD1-CB 4.38Å; Y319-Q325 HydrophobicContact CD1-CG 3.92Å; Y319-Q325 HydrophobicContact CE1-CB 3.79Å; Y319-Q325 HydrophobicContact CE1-CG 3.76Å; Y319-F330 HydrophobicContact CD1-CD2 4.29Å; Y319-F330 HydrophobicContact CE1-CB 4.01Å; Y319-F330 AromaticContact CE1-CD2 3.96Å; Y319-F330 HydrophobicContact CE1-CD2 3.96Å; Y319-F330 HydrophobicContact CE1-CG 4.46Å; Y319-F330 WeakPolarHBondContact OH-CA 3.44Å; Y319-F330 PolarHBondContact OH-N 3.14Å; Y319-F333 HydrophobicContact CE2-CD2 4.05Å
320	S	90.6	Very high	94.8	Very high	50 Å²	50	59 Å²	59	35%	0.35	28%	0.275	S	S	.	.	S	Bend	trans	-61.2	-42.5	176	-64	0	0	0	0	112.6	K309 R317	K309-S320 PolarHBondContact NZ-O 3.25Å; R317-S320 WeakPolarHBondContact O-CB 3.12Å; R317-S320 PolarHBondContact O-N 2.82Å; R317-S320 PolarHBondContact O-OG 2.72Å; R317-S320 VanDerWaalsContact O-OG 3.07Å
321	D	91.3	Very high	94.8	Very high	96 Å²	96	51.7 Å²	51.7	51%	0.513	25%	0.248	S	C	.	.	S	Bend	trans	-77.3	-168.9	-172.8	-56.5	-18.7	0	0	0	112	K309 Y319	K309-D321 PolarHBondContact NZ-O 2.8Å; Y319-D321 VanDerWaalsContact C-N 3.35Å
322	Y	92.1	Very high	94.9	Very high	140 Å²	140	56.5 Å²	56.5	55%	0.549	26%	0.264	S	S	.	.	S	Bend	trans	-116	32.3	178.8	-56.3	-76.6	0	0	0	111.7	I245 N247	I245-Y322 WeakPolarHBondContact O-CD1 3.35Å; I245-Y322 WeakPolarHBondContact O-CE1 3.43Å; N247-Y322 WeakPolarHBondContact CB-O 3.36Å; N247-Y322 PolarHBondContact ND2-O 3.28Å
323	N	93.1	Very high	95	Very high	96 Å²	96	59.6 Å²	59.6	51%	0.513	28%	0.277	S	S	.	.			trans	-84	153.6	174.4	-63.9	-37.8	0	0	0	110.1
324	Q	92.9	Very high	95.1	Very high	67 Å²	67	59 Å²	59	31%	0.313	27%	0.273	S	S	.	.			trans	-70.8	148.7	168.2	-64.2	-168.6	-2.2	0	0	110.2	N247 G521	N247-Q324 HydrophobicContact CB-CG 3.68Å; N247-Q324 VanDerWaalsContact CG-CG 3.49Å; N247-Q324 WeakPolarHBondContact OD1-CG 3.4Å; N247-Q324 PolarHBondContact OD1-NE2 2.72Å; Q324-G521 PolarHBondContact NE2-O 3.41Å; Q324-G521 PolarHBondContact OE1-O 3.37Å
325	Q	94.7	Very high	95.2	Very high	44 Å²	44	56.1 Å²	56.1	21%	0.206	26%	0.255	C	S	.	.			trans	-137.7	167.2	-177.9	-60.4	-66.6	4.4	0	0	110.3	F250 M318 Y319	F250-Q325 HydrophobicContact CD1-CB 4.07Å; F250-Q325 HydrophobicContact CD2-CB 4.02Å; F250-Q325 HydrophobicContact CE1-CB 3.88Å; F250-Q325 HydrophobicContact CE1-CG 4.07Å; F250-Q325 HydrophobicContact CE2-CB 3.86Å; F250-Q325 HydrophobicContact CE2-CG 4.36Å; F250-Q325 HydrophobicContact CG-CB 4.16Å; F250-Q325 HydrophobicContact CZ-CB 3.8Å; F250-Q325 HydrophobicContact CZ-CG 3.9Å; M318-Q325 PolarHBondContact O-NE2 3.4Å; Y319-Q325 HydrophobicContact CD1-CB 4.38Å; Y319-Q325 HydrophobicContact CD1-CG 3.92Å; Y319-Q325 HydrophobicContact CE1-CB 3.79Å; Y319-Q325 HydrophobicContact CE1-CG 3.76Å
326	D	95.3	Very high	95.3	Very high	37 Å²	37	56.8 Å²	56.8	20%	0.198	26%	0.261	C	S	.	.			trans	-77.5	132.1	175.7	-167.5	-74	0	0	0	111.6	Q328 E329 F330 F470 Y558	D326-Q328 WeakPolarHBondContact OD1-CA 3.28Å; D326-Q328 WeakPolarHBondContact OD1-CB 3.22Å; D326-Q328 PolarHBondContact OD1-N 2.84Å; D326-E329 HydrophobicContact CB-CB 4.03Å; D326-E329 PolarHBondContact OD1-N 3.34Å; D326-F330 WeakPolarHBondContact O-CB 3.23Å; D326-F330 PolarHBondContact O-N 3.19Å; D326-F470 WeakPolarHBondContact OD2-CD2 3.42Å; D326-F470 VanDerWaalsContact OD2-CE2 3.24Å; D326-F470 WeakPolarHBondContact OD2-CE2 3.46Å; D326-Y558 PolarHBondContact OD1-OH 3.06Å; D326-Y558 PolarHBondContact OD2-OH 2.98Å; D326-Y558 VanDerWaalsContact OD2-OH 3.05Å
327	A	97.5	Very high	95.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-69.3	-30.7	-179.3	0	0	0	0	0	113.3	F250 V254 L331 Y523 Y558 I559	F250-A327 HydrophobicContact CB-CB 4.19Å; V254-A327 HydrophobicContact CG2-CB 3.96Å; V254-A327 WeakPolarHBondContact CG2-O 3.23Å; A327-L331 VanDerWaalsContact O-CB 3.28Å; A327-L331 WeakPolarHBondContact O-CB 3.19Å; A327-L331 PolarHBondContact O-N 2.76Å; A327-Y523 HydrophobicContact CB-CD1 3.82Å; A327-Y523 HydrophobicContact CB-CE1 3.38Å; A327-Y523 PolarHBondContact N-OH 2.91Å; A327-Y558 HydrophobicContact CB-CE1 4.38Å; A327-I559 HydrophobicContact CB-CD1 4.04Å
328	Q	97.6	Very high	95.7	Very high	26 Å²	26	45.7 Å²	45.7	12%	0.121	22%	0.219	C	C	.	.	H	α-helix	trans	-77	-37.8	178	-171.3	-96.8	15	0	0	111.2	D326 L331 R332 D407 S409 H466 Y558 I559	D326-Q328 WeakPolarHBondContact OD1-CA 3.28Å; D326-Q328 WeakPolarHBondContact OD1-CB 3.22Å; D326-Q328 PolarHBondContact OD1-N 2.84Å; Q328-L331 PolarHBondContact O-N 2.83Å; Q328-R332 VanDerWaalsContact NE2-CD 3.31Å; Q328-R332 WeakPolarHBondContact O-CG 3.16Å; Q328-R332 PolarHBondContact O-N 2.91Å; Q328-D407 PolarHBondContact NE2-OD1 3.26Å; Q328-D407 PolarHBondContact NE2-OD2 2.74Å; Q328-S409 PolarHBondContact NE2-OG 3.49Å; Q328-H466 HydrophobicContact CG-CB 3.88Å; Q328-H466 PolarHBondContact NE2-ND1 2.99Å; Q328-Y558 HydrophobicContact CB-CE1 4.37Å; Q328-I559 HydrophobicContact CB-CD1 3.88Å; Q328-I559 HydrophobicContact CB-CG1 4.47Å
329	E	97.1	Very high	95.9	Very high	60 Å²	60	42.5 Å²	42.5	28%	0.28	20%	0.203	S	C	.	.	H	α-helix	trans	-62.8	-45.9	172.2	-172.2	177.2	-146	0	0	110.9	M318 D326 L331 R332 F333	M318-E329 WeakPolarHBondContact CE-OE2 3.42Å; D326-E329 HydrophobicContact CB-CB 4.03Å; D326-E329 PolarHBondContact OD1-N 3.34Å; E329-L331 PolarHBondContact O-N 2.69Å; E329-R332 PolarHBondContact O-N 2.8Å; E329-F333 HydrophobicContact CG-CD2 3.75Å; E329-F333 HydrophobicContact CG-CE2 3.53Å; E329-F333 WeakPolarHBondContact O-CD2 3.3Å; E329-F333 PolarHBondContact O-N 3.32Å
330	F	98.2	Very high	96.1	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-57.5	-50.3	173.6	171.9	-99.8	0	0	0	111.6	F250 M251 V254 F312 Y319 D326 R332 F333 F334	F250-F330 HydrophobicContact CD2-CB 3.77Å; F250-F330 HydrophobicContact CD2-CD2 4.43Å; F250-F330 AromaticContact CD2-CG 3.96Å; F250-F330 HydrophobicContact CD2-CG 3.96Å; F250-F330 HydrophobicContact CE2-CB 3.97Å; F250-F330 AromaticContact CE2-CD2 3.93Å; F250-F330 HydrophobicContact CE2-CD2 3.93Å; F250-F330 AromaticContact CE2-CG 3.93Å; F250-F330 HydrophobicContact CE2-CG 3.93Å; M251-F330 HydrophobicContact CB-CD1 4.48Å; M251-F330 HydrophobicContact CB-CE1 4.22Å; M251-F330 HydrophobicContact CB-CE2 4.33Å; M251-F330 HydrophobicContact CB-CZ 4.16Å; M251-F330 HydrophobicContact CG-CE1 3.99Å; M251-F330 HydrophobicContact CG-CE2 3.94Å; M251-F330 HydrophobicContact CG-CZ 3.58Å; V254-F330 HydrophobicContact CB-CD1 3.74Å; V254-F330 HydrophobicContact CB-CE1 3.82Å; V254-F330 HydrophobicContact CG1-CD1 3.77Å; V254-F330 HydrophobicContact CG1-CE1 3.7Å; V254-F330 HydrophobicContact CG2-CD1 4.04Å; F312-F330 HydrophobicContact CD1-CD2 4.21Å; F312-F330 AromaticContact CD1-CE2 3.79Å; F312-F330 HydrophobicContact CD1-CE2 3.79Å; F312-F330 HydrophobicContact CD2-CE2 4.4Å; F312-F330 AromaticContact CE1-CD2 3.48Å; F312-F330 HydrophobicContact CE1-CD2 3.48Å; F312-F330 VanDerWaalsContact CE1-CD2 3.48Å; F312-F330 AromaticContact CE1-CE2 3.44Å; F312-F330 HydrophobicContact CE1-CE2 3.44Å; F312-F330 VanDerWaalsContact CE1-CE2 3.44Å; F312-F330 HydrophobicContact CE2-CE2 4.12Å; F312-F330 HydrophobicContact CG-CE2 4.24Å; F312-F330 AromaticContact CZ-CD2 3.7Å; F312-F330 HydrophobicContact CZ-CD2 3.7Å; F312-F330 AromaticContact CZ-CE2 3.62Å; F312-F330 HydrophobicContact CZ-CE2 3.62Å; Y319-F330 HydrophobicContact CD1-CD2 4.29Å; Y319-F330 HydrophobicContact CE1-CB 4.01Å; Y319-F330 AromaticContact CE1-CD2 3.96Å; Y319-F330 HydrophobicContact CE1-CD2 3.96Å; Y319-F330 HydrophobicContact CE1-CG 4.46Å; Y319-F330 WeakPolarHBondContact OH-CA 3.44Å; Y319-F330 PolarHBondContact OH-N 3.14Å; D326-F330 WeakPolarHBondContact O-CB 3.23Å; D326-F330 PolarHBondContact O-N 3.19Å; F330-R332 VanDerWaalsContact C-N 3.29Å; F330-R332 PolarHBondContact O-N 3.23Å; F330-F333 PolarHBondContact O-N 2.93Å; F330-F334 HydrophobicContact CE1-CB 4.21Å; F330-F334 HydrophobicContact CE1-CD2 4.39Å; F330-F334 HydrophobicContact CE1-CG 4.21Å; F330-F334 HydrophobicContact CE2-CB 4.41Å; F330-F334 HydrophobicContact CE2-CD2 4.05Å; F330-F334 HydrophobicContact CE2-CG 4.49Å; F330-F334 HydrophobicContact CZ-CB 4.04Å; F330-F334 AromaticContact CZ-CD2 3.58Å; F330-F334 HydrophobicContact CZ-CD2 3.58Å; F330-F334 HydrophobicContact CZ-CE2 4.15Å; F330-F334 AromaticContact CZ-CG 3.84Å; F330-F334 HydrophobicContact CZ-CG 3.84Å; F330-F334 VanDerWaalsContact O-CB 3.25Å; F330-F334 WeakPolarHBondContact O-CB 3.45Å; F330-F334 PolarHBondContact O-N 3.06Å
331	L	98.6	Very high	96.3	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-53.4	-45.6	178	172.2	64.6	0	0	0	111.8	V254 L258 A327 Q328 E329 F334 L335 V464 I559 F561	V254-L331 HydrophobicContact CG1-CB 3.93Å; V254-L331 HydrophobicContact CG1-CD1 3.7Å; V254-L331 HydrophobicContact CG1-CG 4.39Å; V254-L331 HydrophobicContact CG2-CB 4.3Å; L258-L331 HydrophobicContact CD1-CD1 4.01Å; L258-L331 HydrophobicContact CD2-CD1 4.11Å; L258-L331 HydrophobicContact CG-CD1 4.28Å; A327-L331 VanDerWaalsContact O-CB 3.28Å; A327-L331 WeakPolarHBondContact O-CB 3.19Å; A327-L331 PolarHBondContact O-N 2.76Å; Q328-L331 PolarHBondContact O-N 2.83Å; E329-L331 PolarHBondContact O-N 2.69Å; L331-F334 PolarHBondContact O-N 3Å; L331-L335 HydrophobicContact CD1-CD1 3.77Å; L331-L335 HydrophobicContact CD1-CG 3.89Å; L331-L335 HydrophobicContact CG-CD1 4.14Å; L331-L335 WeakPolarHBondContact O-CB 3.42Å; L331-L335 WeakPolarHBondContact O-CG 3.44Å; L331-L335 PolarHBondContact O-N 2.81Å; L331-V464 HydrophobicContact CD2-CG1 3.88Å; L331-I559 HydrophobicContact CD2-CD1 4.42Å; L331-I559 HydrophobicContact CD2-CG2 4.38Å; L331-F561 HydrophobicContact CD1-CE1 4.31Å; L331-F561 HydrophobicContact CD1-CZ 4.4Å; L331-F561 HydrophobicContact CD2-CE1 4.14Å; L331-F561 HydrophobicContact CD2-CZ 3.89Å
332	R	98	Very high	96.4	Very high	112 Å²	112	40.1 Å²	40.1	42%	0.423	19%	0.193	S	C	.	.	H	α-helix	trans	-66.6	-44.8	-179.4	-73.1	-177	60.9	82.9	9.9	112.5	Q328 E329 F330 F334 D336 D407	Q328-R332 VanDerWaalsContact NE2-CD 3.31Å; Q328-R332 WeakPolarHBondContact O-CG 3.16Å; Q328-R332 PolarHBondContact O-N 2.91Å; E329-R332 PolarHBondContact O-N 2.8Å; F330-R332 VanDerWaalsContact C-N 3.29Å; F330-R332 PolarHBondContact O-N 3.23Å; R332-F334 VanDerWaalsContact C-N 3.29Å; R332-F334 PolarHBondContact O-N 2.93Å; R332-D336 WeakPolarHBondContact O-CB 3.31Å; R332-D336 PolarHBondContact O-N 2.85Å; R332-D407 WeakPolarHBondContact CD-OD1 3.45Å; R332-D407 IonicContact CZ-OD1 2.76Å; R332-D407 IonicContact NE-OD1 3.8Å; R332-D407 IonicContact NH1-OD1 3.37Å; R332-D407 PolarHBondContact NH1-OD1 3.15Å
333	F	98.3	Very high	96.6	Very high	69 Å²	69	35.1 Å²	35.1	30%	0.303	18%	0.176	S	C	.	.	H	α-helix	trans	-67.6	-29.3	174.7	-76.3	-55.9	0	0	0	113.1	F312 H316 M318 Y319 E329 F330 S337	F312-F333 HydrophobicContact CE2-CB 4.36Å; F312-F333 HydrophobicContact CZ-CB 3.79Å; H316-F333 AromaticContact CE1-CD1 3.6Å; H316-F333 AromaticContact CE1-CG 3.97Å; H316-F333 AromaticContact ND1-CD1 3.77Å; H316-F333 PolarHBondContact NE2-O 2.84Å; M318-F333 HydrophobicContact SD-CE2 4.05Å; Y319-F333 HydrophobicContact CE2-CD2 4.05Å; E329-F333 HydrophobicContact CG-CD2 3.75Å; E329-F333 HydrophobicContact CG-CE2 3.53Å; E329-F333 WeakPolarHBondContact O-CD2 3.3Å; E329-F333 PolarHBondContact O-N 3.32Å; F330-F333 PolarHBondContact O-N 2.93Å; F333-S337 WeakPolarHBondContact O-CB 3.49Å; F333-S337 PolarHBondContact O-N 2.81Å; F333-S337 PolarHBondContact O-OG 3.12Å
334	F	98.5	Very high	96.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-71.5	-50.9	176.3	-161.4	-109.6	0	0	0	111.3	L258 I284 F288 L308 F312 F330 L331 R332 D336 S337 L338	L258-F334 HydrophobicContact CD1-CD1 3.66Å; L258-F334 HydrophobicContact CD1-CE1 3.98Å; I284-F334 HydrophobicContact CG2-CD2 4.33Å; I284-F334 HydrophobicContact CG2-CE2 3.92Å; F288-F334 HydrophobicContact CB-CZ 4.02Å; F288-F334 AromaticContact CD1-CE1 3.87Å; F288-F334 HydrophobicContact CD1-CE1 3.87Å; F288-F334 AromaticContact CD1-CZ 3.94Å; F288-F334 HydrophobicContact CD1-CZ 3.94Å; F288-F334 HydrophobicContact CD2-CE1 4.02Å; F288-F334 AromaticContact CD2-CZ 3.71Å; F288-F334 HydrophobicContact CD2-CZ 3.71Å; F288-F334 AromaticContact CE1-CE1 3.81Å; F288-F334 HydrophobicContact CE1-CE1 3.81Å; F288-F334 HydrophobicContact CE1-CZ 4.31Å; F288-F334 AromaticContact CE2-CE1 3.99Å; F288-F334 HydrophobicContact CE2-CE1 3.99Å; F288-F334 HydrophobicContact CE2-CZ 4.12Å; F288-F334 AromaticContact CG-CE1 3.98Å; F288-F334 HydrophobicContact CG-CE1 3.98Å; F288-F334 AromaticContact CG-CZ 3.62Å; F288-F334 HydrophobicContact CG-CZ 3.62Å; F288-F334 AromaticContact CZ-CE1 3.88Å; F288-F334 HydrophobicContact CZ-CE1 3.88Å; F288-F334 HydrophobicContact CZ-CZ 4.41Å; L308-F334 HydrophobicContact CD1-CE2 4Å; L308-F334 HydrophobicContact CD1-CZ 4.28Å; L308-F334 HydrophobicContact CD2-CE2 4.25Å; L308-F334 HydrophobicContact CD2-CZ 4.07Å; L308-F334 HydrophobicContact CG-CE2 4.36Å; F312-F334 AromaticContact CD2-CD2 3.79Å; F312-F334 HydrophobicContact CD2-CD2 3.79Å; F312-F334 HydrophobicContact CD2-CE2 4.37Å; F312-F334 HydrophobicContact CE2-CB 4.18Å; F312-F334 AromaticContact CE2-CD2 3.75Å; F312-F334 HydrophobicContact CE2-CD2 3.75Å; F312-F334 HydrophobicContact CE2-CG 4.48Å; F330-F334 HydrophobicContact CE1-CB 4.21Å; F330-F334 HydrophobicContact CE1-CD2 4.39Å; F330-F334 HydrophobicContact CE1-CG 4.21Å; F330-F334 HydrophobicContact CE2-CB 4.41Å; F330-F334 HydrophobicContact CE2-CD2 4.05Å; F330-F334 HydrophobicContact CE2-CG 4.49Å; F330-F334 HydrophobicContact CZ-CB 4.04Å; F330-F334 AromaticContact CZ-CD2 3.58Å; F330-F334 HydrophobicContact CZ-CD2 3.58Å; F330-F334 HydrophobicContact CZ-CE2 4.15Å; F330-F334 AromaticContact CZ-CG 3.84Å; F330-F334 HydrophobicContact CZ-CG 3.84Å; F330-F334 VanDerWaalsContact O-CB 3.25Å; F330-F334 WeakPolarHBondContact O-CB 3.45Å; F330-F334 PolarHBondContact O-N 3.06Å; L331-F334 PolarHBondContact O-N 3Å; R332-F334 VanDerWaalsContact C-N 3.29Å; R332-F334 PolarHBondContact O-N 2.93Å; F334-D336 PolarHBondContact O-N 3.48Å; F334-S337 PolarHBondContact O-N 3.5Å; F334-L338 HydrophobicContact CD1-CD1 3.9Å; F334-L338 HydrophobicContact CD1-CG 4.35Å; F334-L338 HydrophobicContact CE1-CD1 3.72Å; F334-L338 HydrophobicContact CE1-CG 4.26Å; F334-L338 HydrophobicContact CZ-CD1 4.48Å; F334-L338 WeakPolarHBondContact O-CG 3.41Å; F334-L338 PolarHBondContact O-N 2.81Å
335	L	98.4	Very high	96.4	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-61.5	-39.5	175.6	-68	179.8	0	0	0	112.5	L258 L331 S337 L338 H339 V378 F382 W406	L258-L335 HydrophobicContact CD1-CD2 4.38Å; L258-L335 HydrophobicContact CD2-CD2 4.13Å; L331-L335 HydrophobicContact CD1-CD1 3.77Å; L331-L335 HydrophobicContact CD1-CG 3.89Å; L331-L335 HydrophobicContact CG-CD1 4.14Å; L331-L335 WeakPolarHBondContact O-CB 3.42Å; L331-L335 WeakPolarHBondContact O-CG 3.44Å; L331-L335 PolarHBondContact O-N 2.81Å; L335-S337 VanDerWaalsContact C-N 3.26Å; L335-S337 PolarHBondContact O-N 2.85Å; L335-L338 PolarHBondContact O-N 2.84Å; L335-H339 WeakPolarHBondContact O-CB 3.39Å; L335-H339 PolarHBondContact O-N 3.41Å; L335-V378 HydrophobicContact CB-CG1 4.28Å; L335-V378 HydrophobicContact CD2-CG1 3.81Å; L335-F382 HydrophobicContact CD1-CG 4.36Å; L335-F382 HydrophobicContact CD2-CD2 4.08Å; L335-F382 HydrophobicContact CD2-CE2 3.92Å; L335-F382 HydrophobicContact CD2-CZ 4.39Å; L335-W406 HydrophobicContact CB-CE3 3.93Å; L335-W406 HydrophobicContact CB-CZ3 3.97Å; L335-W406 HydrophobicContact CD1-CE3 4.33Å
336	D	97.4	Very high	95.9	Very high	70 Å²	70	34.4 Å²	34.4	37%	0.374	19%	0.189	S	C	.	.	H	α-helix	trans	-55.6	-40.1	170.6	168	87.3	0	0	0	112.4	K315 R332 F334 S340	K315-D336 IonicContact NZ-OD2 3.13Å; K315-D336 PolarHBondContact NZ-OD2 2.69Å; R332-D336 WeakPolarHBondContact O-CB 3.31Å; R332-D336 PolarHBondContact O-N 2.85Å; F334-D336 PolarHBondContact O-N 3.48Å; D336-S340 WeakPolarHBondContact O-CB 3.33Å; D336-S340 PolarHBondContact O-N 3Å; D336-S340 PolarHBondContact O-OG 2.78Å
337	S	97.4	Very high	95.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-76.6	-42.8	-177.2	-51.6	0	0	0	0	111.9	D281 K315 H316 F333 F334 L335 H339 S340 A341	D281-S337 VanDerWaalsContact OD1-CA 3.23Å; D281-S337 WeakPolarHBondContact OD1-CA 3.27Å; D281-S337 VanDerWaalsContact OD1-CB 3.27Å; D281-S337 WeakPolarHBondContact OD1-CB 3.16Å; K315-S337 PolarHBondContact NZ-OG 3.45Å; H316-S337 PolarHBondContact NE2-OG 3.25Å; F333-S337 WeakPolarHBondContact O-CB 3.49Å; F333-S337 PolarHBondContact O-N 2.81Å; F333-S337 PolarHBondContact O-OG 3.12Å; F334-S337 PolarHBondContact O-N 3.5Å; L335-S337 VanDerWaalsContact C-N 3.26Å; L335-S337 PolarHBondContact O-N 2.85Å; S337-H339 VanDerWaalsContact C-N 3.32Å; S337-H339 PolarHBondContact O-N 2.7Å; S337-S340 PolarHBondContact O-N 2.82Å; S337-A341 WeakPolarHBondContact O-CB 3.41Å; S337-A341 PolarHBondContact O-N 2.69Å
338	L	97.5	Very high	93.8	Very high	1 Å²	1	44 Å²	44	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-62.7	-40.5	173.1	-62.9	-178.5	0	0	0	111.5	I284 L285 F288 F334 L335 A341 L342 V378	I284-L338 HydrophobicContact CG2-CD2 4.46Å; L285-L338 HydrophobicContact CB-CD2 4.29Å; L285-L338 HydrophobicContact CD1-CD2 3.96Å; F288-L338 HydrophobicContact CB-CD2 4.34Å; F288-L338 HydrophobicContact CD1-CD1 3.65Å; F288-L338 HydrophobicContact CD1-CD2 3.67Å; F288-L338 HydrophobicContact CD1-CG 4.31Å; F288-L338 HydrophobicContact CE1-CD1 3.57Å; F288-L338 HydrophobicContact CE1-CD2 4.46Å; F288-L338 HydrophobicContact CG-CD2 4.4Å; F334-L338 HydrophobicContact CD1-CD1 3.9Å; F334-L338 HydrophobicContact CD1-CG 4.35Å; F334-L338 HydrophobicContact CE1-CD1 3.72Å; F334-L338 HydrophobicContact CE1-CG 4.26Å; F334-L338 HydrophobicContact CZ-CD1 4.48Å; F334-L338 WeakPolarHBondContact O-CG 3.41Å; F334-L338 PolarHBondContact O-N 2.81Å; L335-L338 PolarHBondContact O-N 2.84Å; L338-A341 PolarHBondContact O-N 3.1Å; L338-L342 WeakPolarHBondContact O-CB 3.21Å; L338-L342 WeakPolarHBondContact O-CG 3.29Å; L338-L342 PolarHBondContact O-N 2.88Å; L338-V378 HydrophobicContact CB-CG2 3.94Å
339	H	97.1	Very high	92.7	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.037	27%	0.265	C	S	.	.	H	α-helix	trans	-62.8	-50.1	173.5	174.7	78	0	0	0	111.4	L335 S337 A341 L342 N343 E374 N375 S376 V378 W406	L335-H339 WeakPolarHBondContact O-CB 3.39Å; L335-H339 PolarHBondContact O-N 3.41Å; S337-H339 VanDerWaalsContact C-N 3.32Å; S337-H339 PolarHBondContact O-N 2.7Å; H339-A341 PolarHBondContact O-N 3.42Å; H339-L342 CarbonylContact O-C 3.48Å; H339-L342 PolarHBondContact O-N 3.05Å; H339-N343 PolarHBondContact NE2-ND2 3.21Å; H339-N343 VanDerWaalsContact NE2-ND2 3.16Å; H339-N343 VanDerWaalsContact O-CB 3.3Å; H339-N343 WeakPolarHBondContact O-CB 3.41Å; H339-N343 PolarHBondContact O-N 2.85Å; H339-E374 IonicContact CD2-OE2 3.71Å; H339-E374 WeakPolarHBondContact CE1-CA 3.19Å; H339-E374 WeakPolarHBondContact CE1-CB 3.49Å; H339-E374 PolarHBondContact CE1-O 2.74Å; H339-E374 IonicContact CE1-OE2 2.72Å; H339-E374 WeakPolarHBondContact NE2-CA 3.22Å; H339-E374 WeakPolarHBondContact NE2-CB 3.2Å; H339-E374 WeakPolarHBondContact NE2-CG 3.45Å; H339-E374 IonicContact NE2-OE1 2.6Å; H339-E374 CovalentContact NE2-OE2 1.72Å; H339-E374 IonicContact NE2-OE2 2.73Å; H339-E374 PolarHBondContact NE2-OE2 3.37Å; H339-N375 PolarHBondContact CE1-N 3.19Å; H339-S376 PolarHBondContact ND1-OG 2.86Å; H339-V378 HydrophobicContact CB-CB 4.09Å; H339-V378 HydrophobicContact CB-CG2 4.32Å; H339-W406 HydrophobicContact CB-CH2 3.64Å; H339-W406 HydrophobicContact CB-CZ3 4.15Å; H339-W406 AromaticContact CG-CH2 3.61Å; H339-W406 AromaticContact ND1-CH2 3.83Å
340	S	95.8	Very high	91.9	Very high	52 Å²	52	50.5 Å²	50.5	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-60.8	-29.2	179.3	-65.1	0	0	0	0	113.1	D336 S337	D336-S340 WeakPolarHBondContact O-CB 3.33Å; D336-S340 PolarHBondContact O-N 3Å; D336-S340 PolarHBondContact O-OG 2.78Å; S337-S340 PolarHBondContact O-N 2.82Å
341	A	94.9	Very high	91.2	Very high	16 Å²	16	52.3 Å²	52.3	13%	0.132	30%	0.298	C	S	.	.	H	α-helix	trans	-74.3	-29.4	174.2	0	0	0	0	0	113.7	D281 Q282 L285 S337 L338 H339	D281-A341 HydrophobicContact CB-CB 4Å; D281-A341 WeakPolarHBondContact O-CB 3.4Å; Q282-A341 HydrophobicContact CG-CB 4.46Å; L285-A341 HydrophobicContact CB-CB 3.66Å; L285-A341 HydrophobicContact CD2-CB 3.73Å; L285-A341 HydrophobicContact CG-CB 4.25Å; S337-A341 WeakPolarHBondContact O-CB 3.41Å; S337-A341 PolarHBondContact O-N 2.69Å; L338-A341 PolarHBondContact O-N 3.1Å; H339-A341 PolarHBondContact O-N 3.42Å
342	L	94.8	Very high	90.5	Very high	38 Å²	38	58.1 Å²	58.1	20%	0.199	33%	0.33	C	S	.	.	H	α-helix	trans	-106.4	-6.1	-174.7	-67	173.4	0	0	0	113.8	F267 L285 L338 H339 S344 S376 V378	F267-L342 HydrophobicContact CE1-CD1 3.92Å; F267-L342 HydrophobicContact CE1-CD2 3.96Å; F267-L342 HydrophobicContact CZ-CD1 4.33Å; F267-L342 HydrophobicContact CZ-CD2 3.72Å; L285-L342 HydrophobicContact CD1-CD1 4.15Å; L285-L342 HydrophobicContact CD1-CD2 4.38Å; L285-L342 HydrophobicContact CD1-CG 4.23Å; L285-L342 HydrophobicContact CD2-CD2 3.58Å; L285-L342 HydrophobicContact CD2-CG 3.89Å; L338-L342 WeakPolarHBondContact O-CB 3.21Å; L338-L342 WeakPolarHBondContact O-CG 3.29Å; L338-L342 PolarHBondContact O-N 2.88Å; H339-L342 CarbonylContact O-C 3.48Å; H339-L342 PolarHBondContact O-N 3.05Å; L342-S344 PolarHBondContact O-N 3.38Å; L342-S376 WeakPolarHBondContact O-CB 3.36Å; L342-V378 HydrophobicContact CD1-CG2 4.08Å
343	N	94.8	Very high	90	Very high	34 Å²	34	54.7 Å²	54.7	18%	0.182	32%	0.319	C	S	.	.			trans	-72.2	118.1	-174.9	-175	9.4	0	0	0	111.5	H339 G345 H373 E374 N375	H339-N343 PolarHBondContact NE2-ND2 3.21Å; H339-N343 VanDerWaalsContact NE2-ND2 3.16Å; H339-N343 VanDerWaalsContact O-CB 3.3Å; H339-N343 WeakPolarHBondContact O-CB 3.41Å; H339-N343 PolarHBondContact O-N 2.85Å; N343-G345 WeakPolarHBondContact OD1-CA 3.44Å; N343-G345 PolarHBondContact OD1-N 2.93Å; N343-H373 PolarHBondContact ND2-O 3.16Å; N343-H373 PolarHBondContact OD1-O 3.02Å; N343-E374 PolarHBondContact ND2-OE2 3.03Å; N343-N375 WeakPolarHBondContact CA-O 3.27Å; N343-N375 PolarHBondContact OD1-N 3.24Å; N343-N375 PolarHBondContact OD1-O 2.78Å
344	S	93.6	Very high	89.3	Confident	86 Å²	86	55.2 Å²	55.2	60%	0.601	33%	0.325	S	S	*	.			trans	-103.8	5.3	177.4	57.2	0	0	0	0	113.6	L342 N375	L342-S344 PolarHBondContact O-N 3.38Å; S344-N375 PolarHBondContact N-O 2.89Å; S344-N375 PolarHBondContact OG-ND2 3.19Å; S344-N375 PolarHBondContact OG-O 3.08Å
345	G	89.6	Confident	88.6	Confident	17 Å²	17	60.4 Å²	60.4	18%	0.175	35%	0.353	C	S	.	.			trans	-70	152.4	-174.7	0	0	0	0	0	114.6	N343 R372	N343-G345 WeakPolarHBondContact OD1-CA 3.44Å; N343-G345 PolarHBondContact OD1-N 2.93Å; G345-R372 CarbonylContact C-O 3.48Å; G345-R372 WeakPolarHBondContact CA-O 3.36Å
346	V	84.2	Confident	88.1	Confident	90 Å²	90	67 Å²	67	55%	0.545	39%	0.388	S	S	.	.			trans	-79.4	136.9	179.5	-176.5	0	0	0	0	109.3	R372 H373	V346-R372 PolarHBondContact N-O 2.85Å; V346-H373 WeakPolarHBondContact O-CA 3.46Å; V346-H373 PolarHBondContact O-CD2 3.38Å; V346-H373 PolarHBondContact O-NE2 2.93Å
347	K	81.8	Confident	87.7	Confident	167 Å²	167	66.5 Å²	66.5	73%	0.726	39%	0.385	S	S	*	.			trans	-113	121.5	178.9	-62.5	-177.4	-178.2	179.5	0	110.5
348	G	67.1	Low	87.5	Confident	72 Å²	72	70.2 Å²	70.2	74%	0.742	41%	0.411	S	S	*	.			trans	152.1	-13.6	166.2	0	0	0	0	0	117
349	E	74.4	Confident	87.3	Confident	95 Å²	95	72.7 Å²	72.7	44%	0.444	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-85.4	128.2	-175.4	-54.1	-176.7	137.3	0	0	111.8	W369 R372 H373	E349-W369 PolarHBondContact O-NE1 2.9Å; E349-R372 WeakPolarHBondContact OE2-CD 3.36Å; E349-R372 IonicContact OE2-CZ 2.7Å; E349-R372 IonicContact OE2-NE 3.81Å; E349-R372 IonicContact OE2-NH1 2.73Å; E349-R372 PolarHBondContact OE2-NH1 3.15Å; E349-H373 PolarHBondContact N-NE2 3.22Å; E349-H373 IonicContact OE2-CE1 3.87Å
350	T	79.6	Confident	87.1	Confident	126 Å²	126	75.5 Å²	75.5	77%	0.773	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-82.6	117.1	171.2	47.9	0	0	0	0	110.9	N352	T350-N352 PolarHBondContact O-N 3.09Å
351	L	84.1	Confident	87	Confident	39 Å²	39	76.8 Å²	76.8	20%	0.204	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-64.9	120.1	172.2	-177	57.6	0	0	0	110.5	V3 I353 T366 W369	V3-L351 WeakPolarHBondContact CG2-O 3.33Å; L351-I353 HydrophobicContact CD1-CD1 3.98Å; L351-I353 HydrophobicContact CD1-CG1 3.78Å; L351-I353 HydrophobicContact CD2-CD1 3.88Å; L351-I353 HydrophobicContact CD2-CG1 4.43Å; L351-I353 HydrophobicContact CG-CD1 4.01Å; L351-I353 HydrophobicContact CG-CG1 4Å; L351-T366 HydrophobicContact CD2-CG2 4.08Å; L351-W369 HydrophobicContact CB-CD2 3.83Å; L351-W369 HydrophobicContact CB-CE3 4.44Å; L351-W369 HydrophobicContact CB-CG 3.86Å; L351-W369 HydrophobicContact CD1-CB 3.88Å; L351-W369 HydrophobicContact CD1-CG 4Å; L351-W369 HydrophobicContact CD2-CB 4.17Å; L351-W369 HydrophobicContact CD2-CD2 4.04Å; L351-W369 HydrophobicContact CD2-CE3 4.04Å; L351-W369 HydrophobicContact CD2-CG 4.1Å; L351-W369 HydrophobicContact CG-CB 4.44Å; L351-W369 HydrophobicContact CG-CD2 4.41Å; L351-W369 HydrophobicContact CG-CG 4.2Å
352	N	84.4	Confident	87	Confident	125 Å²	125	77.4 Å²	77.4	67%	0.668	44%	0.438	S	S	*	.			trans	-125.4	106.2	172	-165.6	46.7	0	0	0	109	M1 T350	M1-N352 PolarHBondContact N-OD1 3.07Å; T350-N352 PolarHBondContact O-N 3.09Å
353	I	85.7	Confident	87	Confident	39 Å²	39	75.6 Å²	75.6	20%	0.2	43%	0.429	C	S	.	.			trans	-101.3	138.7	-179.7	-73.9	175.4	0	0	0	108.9	L351 L357 K362 L365 T366	L351-I353 HydrophobicContact CD1-CD1 3.98Å; L351-I353 HydrophobicContact CD1-CG1 3.78Å; L351-I353 HydrophobicContact CD2-CD1 3.88Å; L351-I353 HydrophobicContact CD2-CG1 4.43Å; L351-I353 HydrophobicContact CG-CD1 4.01Å; L351-I353 HydrophobicContact CG-CG1 4Å; I353-L357 HydrophobicContact CG2-CD1 4.39Å; I353-K362 HydrophobicContact CG2-CB 4.24Å; I353-K362 HydrophobicContact CG2-CD 4.24Å; I353-K362 HydrophobicContact CG2-CG 3.68Å; I353-L365 HydrophobicContact CD1-CB 4.07Å; I353-L365 HydrophobicContact CG1-CB 4.27Å; I353-T366 WeakPolarHBondContact CD1-OG1 3.36Å
354	D	85.1	Confident	87	Confident	81 Å²	81	76.2 Å²	76.2	43%	0.433	43%	0.432	S	S	.	.			trans	-76.9	128.2	173	174.9	17.1	0	0	0	110.8	N356 L357 K362	D354-N356 PolarHBondContact O-N 3.35Å; D354-N356 PolarHBondContact OD1-N 2.92Å; D354-N356 PolarHBondContact OD1-ND2 3.22Å; D354-L357 HydrophobicContact CB-CD1 4.1Å; D354-L357 HydrophobicContact CB-CG 4.05Å; D354-L357 WeakPolarHBondContact O-CB 3.39Å; D354-L357 PolarHBondContact O-N 3.32Å; D354-K362 WeakPolarHBondContact O-CE 3.4Å
355	D	82.5	Confident	87.1	Confident	108 Å²	108	74.4 Å²	74.4	58%	0.578	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.2	178.1	-81.5	-42.4	0	0	0	112.9	M1 L357 K362	M1-D355 WeakPolarHBondContact CE-OD1 3.23Å; M1-D355 WeakPolarHBondContact CE-OD2 3.25Å; D355-L357 VanDerWaalsContact C-N 3.33Å; D355-K362 PolarHBondContact O-NZ 2.91Å
356	N	87.6	Confident	87.4	Confident	144 Å²	144	74.8 Å²	74.8	77%	0.77	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-11.5	177.3	-57.1	-74.7	0	0	0	113.8	D354	D354-N356 PolarHBondContact O-N 3.35Å; D354-N356 PolarHBondContact OD1-N 2.92Å; D354-N356 PolarHBondContact OD1-ND2 3.22Å
357	L	91	Very high	87.9	Confident	58 Å²	58	72.3 Å²	72.3	30%	0.304	40%	0.395	S	S	.	.	S	Bend	trans	-70.1	151.2	178.7	-66.1	171.9	0	0	0	112.4	I353 D354 D355 K362 L365	I353-L357 HydrophobicContact CG2-CD1 4.39Å; D354-L357 HydrophobicContact CB-CD1 4.1Å; D354-L357 HydrophobicContact CB-CG 4.05Å; D354-L357 WeakPolarHBondContact O-CB 3.39Å; D354-L357 PolarHBondContact O-N 3.32Å; D355-L357 VanDerWaalsContact C-N 3.33Å; L357-K362 HydrophobicContact CB-CG 3.83Å; L357-K362 WeakPolarHBondContact O-CE 3.25Å; L357-K362 PolarHBondContact O-NZ 2.98Å; L357-L365 HydrophobicContact CD1-CD1 3.64Å
358	S	92.7	Very high	88.5	Confident	79 Å²	79	68.3 Å²	68.3	55%	0.552	38%	0.379	S	S	*	.			trans	-65	148.1	172.9	65.9	0	0	0	0	111.6	N360 K361 K362	S358-N360 PolarHBondContact O-N 3.26Å; S358-K361 PolarHBondContact O-N 3.45Å; S358-K362 WeakPolarHBondContact O-CG 3.32Å; S358-K362 PolarHBondContact O-N 3.1Å
359	D	92.6	Very high	89.8	Confident	53 Å²	53	68 Å²	68	28%	0.283	36%	0.356	S	S	.	.	H	α-helix	trans	-48.7	-44.8	179.7	-79.1	3.1	0	0	0	112.8	K362 A363 K387 F402	D359-K362 WeakPolarHBondContact O-CB 3.37Å; D359-K362 PolarHBondContact O-N 3.25Å; D359-A363 WeakPolarHBondContact O-CB 2.96Å; D359-A363 PolarHBondContact O-N 2.87Å; D359-K387 WeakPolarHBondContact OD2-CE 3.2Å; D359-K387 IonicContact OD2-NZ 3.77Å; D359-K387 PolarHBondContact OD2-NZ 3.1Å; D359-F402 HydrophobicContact CB-CZ 4.1Å; D359-F402 VanDerWaalsContact O-CE2 3.32Å; D359-F402 WeakPolarHBondContact O-CE2 3.29Å; D359-F402 WeakPolarHBondContact O-CZ 3.16Å
360	N	92.4	Very high	90.8	Very high	66 Å²	66	64.6 Å²	64.6	35%	0.353	34%	0.339	S	S	.	.	H	α-helix	trans	-65.7	-40.8	179.1	-78.4	-10.5	0	0	0	112.2	S358 K362 A363 D364 Q457 N499	S358-N360 PolarHBondContact O-N 3.26Å; N360-K362 VanDerWaalsContact C-N 3.34Å; N360-K362 PolarHBondContact O-N 2.89Å; N360-A363 WeakPolarHBondContact O-CB 3.36Å; N360-A363 PolarHBondContact O-N 2.72Å; N360-D364 PolarHBondContact O-N 3.21Å; N360-Q457 PolarHBondContact OD1-NE2 3.33Å; N360-N499 PolarHBondContact ND2-OD1 3.26Å; N360-N499 VanDerWaalsContact ND2-OD1 3.08Å
361	K	94.1	Very high	91.4	Very high	79 Å²	79	60.5 Å²	60.5	34%	0.343	31%	0.314	S	S	.	.	H	α-helix	trans	-72.1	-28.9	176.4	-168.8	51.4	-177.6	164.2	0	112.6	S358 D364 L365 E368	S358-K361 PolarHBondContact O-N 3.45Å; K361-D364 HydrophobicContact CD-CB 4.18Å; K361-D364 PolarHBondContact O-N 2.85Å; K361-L365 HydrophobicContact CD-CG 4.2Å; K361-L365 HydrophobicContact CG-CD1 4.2Å; K361-L365 HydrophobicContact CG-CG 4.35Å; K361-L365 WeakPolarHBondContact O-CB 3.46Å; K361-L365 VanDerWaalsContact O-CG 3.28Å; K361-L365 WeakPolarHBondContact O-CG 3.37Å; K361-L365 PolarHBondContact O-N 3.12Å; K361-E368 IonicContact NZ-OE1 3.55Å; K361-E368 PolarHBondContact NZ-OE1 2.86Å
362	K	94.7	Very high	91.8	Very high	29 Å²	29	63.9 Å²	63.9	13%	0.126	32%	0.324	C	S	.	.	H	α-helix	trans	-64.2	-44.1	169.3	-66.6	-180	171.5	144	0	111.6	I353 D354 D355 L357 S358 D359 N360 D364 T366 F402	I353-K362 HydrophobicContact CG2-CB 4.24Å; I353-K362 HydrophobicContact CG2-CD 4.24Å; I353-K362 HydrophobicContact CG2-CG 3.68Å; D354-K362 WeakPolarHBondContact O-CE 3.4Å; D355-K362 PolarHBondContact O-NZ 2.91Å; L357-K362 HydrophobicContact CB-CG 3.83Å; L357-K362 WeakPolarHBondContact O-CE 3.25Å; L357-K362 PolarHBondContact O-NZ 2.98Å; S358-K362 WeakPolarHBondContact O-CG 3.32Å; S358-K362 PolarHBondContact O-N 3.1Å; D359-K362 WeakPolarHBondContact O-CB 3.37Å; D359-K362 PolarHBondContact O-N 3.25Å; N360-K362 VanDerWaalsContact C-N 3.34Å; N360-K362 PolarHBondContact O-N 2.89Å; K362-D364 PolarHBondContact O-N 2.9Å; K362-T366 WeakPolarHBondContact O-CB 3.49Å; K362-T366 PolarHBondContact O-N 3.04Å; K362-T366 PolarHBondContact O-OG1 2.82Å; K362-F402 HydrophobicContact CB-CD2 4.13Å; K362-F402 HydrophobicContact CB-CE2 3.74Å
363	A	95.1	Very high	92.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-57.9	-48	174.6	0	0	0	0	0	111.8	D359 N360 T366 W367 Q385 F402 Q457	D359-A363 WeakPolarHBondContact O-CB 2.96Å; D359-A363 PolarHBondContact O-N 2.87Å; N360-A363 WeakPolarHBondContact O-CB 3.36Å; N360-A363 PolarHBondContact O-N 2.72Å; A363-T366 PolarHBondContact O-N 3.23Å; A363-W367 WeakPolarHBondContact O-CB 3.36Å; A363-W367 PolarHBondContact O-N 3.08Å; A363-Q385 PolarHBondContact O-NE2 3.38Å; A363-F402 HydrophobicContact CB-CD1 3.63Å; A363-F402 HydrophobicContact CB-CD2 4.22Å; A363-F402 HydrophobicContact CB-CE1 3.56Å; A363-F402 HydrophobicContact CB-CE2 4.17Å; A363-F402 HydrophobicContact CB-CG 3.97Å; A363-F402 HydrophobicContact CB-CZ 3.84Å; A363-Q457 HydrophobicContact CB-CG 3.66Å
364	D	95.6	Very high	92.6	Very high	48 Å²	48	59.4 Å²	59.4	26%	0.257	30%	0.298	S	S	.	.	H	α-helix	trans	-64	-50.7	-178.6	-64.2	-21.7	0	0	0	111.5	N360 K361 K362 T366 W367 E368 R458	N360-D364 PolarHBondContact O-N 3.21Å; K361-D364 HydrophobicContact CD-CB 4.18Å; K361-D364 PolarHBondContact O-N 2.85Å; K362-D364 PolarHBondContact O-N 2.9Å; D364-T366 VanDerWaalsContact C-N 3.26Å; D364-T366 PolarHBondContact O-N 3.1Å; D364-W367 CarbonylContact O-C 3.57Å; D364-W367 PolarHBondContact O-N 3.4Å; D364-E368 WeakPolarHBondContact O-CB 3.07Å; D364-E368 VanDerWaalsContact O-CG 3.23Å; D364-E368 WeakPolarHBondContact O-CG 3.4Å; D364-E368 PolarHBondContact O-N 2.9Å; D364-R458 IonicContact OD1-CZ 2.68Å; D364-R458 IonicContact OD1-NH2 2.83Å; D364-R458 PolarHBondContact OD1-NH2 2.82Å
365	L	95.2	Very high	93	Very high	48 Å²	48	58.4 Å²	58.4	25%	0.251	29%	0.293	S	S	.	.	H	α-helix	trans	-60.1	-36.2	177	-70.5	171.1	0	0	0	112.5	I353 L357 K361 W369	I353-L365 HydrophobicContact CD1-CB 4.07Å; I353-L365 HydrophobicContact CG1-CB 4.27Å; L357-L365 HydrophobicContact CD1-CD1 3.64Å; K361-L365 HydrophobicContact CD-CG 4.2Å; K361-L365 HydrophobicContact CG-CD1 4.2Å; K361-L365 HydrophobicContact CG-CG 4.35Å; K361-L365 WeakPolarHBondContact O-CB 3.46Å; K361-L365 VanDerWaalsContact O-CG 3.28Å; K361-L365 WeakPolarHBondContact O-CG 3.37Å; K361-L365 PolarHBondContact O-N 3.12Å; L365-W369 WeakPolarHBondContact O-CB 3.14Å; L365-W369 PolarHBondContact O-N 2.78Å; L365-W369 VanDerWaalsContact O-N 3.1Å
366	T	95	Very high	93.7	Very high	24 Å²	24	53.6 Å²	53.6	15%	0.147	27%	0.267	C	S	.	.	H	α-helix	trans	-67.5	-40.1	175	-52	0	0	0	0	111.4	L351 I353 K362 A363 D364 Y370 F402	L351-T366 HydrophobicContact CD2-CG2 4.08Å; I353-T366 WeakPolarHBondContact CD1-OG1 3.36Å; K362-T366 WeakPolarHBondContact O-CB 3.49Å; K362-T366 PolarHBondContact O-N 3.04Å; K362-T366 PolarHBondContact O-OG1 2.82Å; A363-T366 PolarHBondContact O-N 3.23Å; D364-T366 VanDerWaalsContact C-N 3.26Å; D364-T366 PolarHBondContact O-N 3.1Å; T366-Y370 VanDerWaalsContact O-CB 3.25Å; T366-Y370 WeakPolarHBondContact O-CB 3.37Å; T366-Y370 PolarHBondContact O-N 3.15Å; T366-F402 HydrophobicContact CG2-CB 4.21Å; T366-F402 WeakPolarHBondContact CG2-O 3.07Å
367	W	95.8	Very high	94.2	Very high	39 Å²	39	48.9 Å²	48.9	15%	0.148	24%	0.242	C	C	.	.	H	α-helix	trans	-70.9	-45.9	178.5	-169.2	-102.6	0	0	0	112.1	A363 D364 W369 Y370 T371 V383 Q385 R458	A363-W367 WeakPolarHBondContact O-CB 3.36Å; A363-W367 PolarHBondContact O-N 3.08Å; D364-W367 CarbonylContact O-C 3.57Å; D364-W367 PolarHBondContact O-N 3.4Å; W367-W369 VanDerWaalsContact C-N 3.32Å; W367-W369 PolarHBondContact O-N 3.08Å; W367-Y370 HydrophobicContact CE3-CD1 4.38Å; W367-Y370 HydrophobicContact CZ3-CD1 4.22Å; W367-Y370 PolarHBondContact O-N 3.46Å; W367-T371 WeakPolarHBondContact O-CB 3.28Å; W367-T371 PolarHBondContact O-N 3.02Å; W367-T371 PolarHBondContact O-OG1 3.35Å; W367-V383 HydrophobicContact CH2-CG1 4.1Å; W367-V383 HydrophobicContact CZ3-CG1 4.27Å; W367-Q385 HydrophobicContact CE3-CB 3.85Å; W367-Q385 HydrophobicContact CE3-CG 4.17Å; W367-Q385 HydrophobicContact CZ3-CB 3.88Å; W367-R458 VanDerWaalsContact CD2-CD 3.47Å
368	E	94.3	Very high	94.5	Very high	83 Å²	83	46.1 Å²	46.1	39%	0.388	23%	0.228	S	C	.	.	H	α-helix	trans	-54.7	-45.5	174.2	-71.1	166.3	-140.4	0	0	111.4	K361 D364 R372	K361-E368 IonicContact NZ-OE1 3.55Å; K361-E368 PolarHBondContact NZ-OE1 2.86Å; D364-E368 WeakPolarHBondContact O-CB 3.07Å; D364-E368 VanDerWaalsContact O-CG 3.23Å; D364-E368 WeakPolarHBondContact O-CG 3.4Å; D364-E368 PolarHBondContact O-N 2.9Å; E368-R372 PolarHBondContact O-N 2.86Å
369	W	94.2	Very high	94.7	Very high	64 Å²	64	43.5 Å²	43.5	24%	0.242	21%	0.206	C	C	.	.	H	α-helix	trans	-66.6	-46.3	175.8	175.6	88.2	0	0	0	112.1	E349 L351 L365 W367 R372 H373	E349-W369 PolarHBondContact O-NE1 2.9Å; L351-W369 HydrophobicContact CB-CD2 3.83Å; L351-W369 HydrophobicContact CB-CE3 4.44Å; L351-W369 HydrophobicContact CB-CG 3.86Å; L351-W369 HydrophobicContact CD1-CB 3.88Å; L351-W369 HydrophobicContact CD1-CG 4Å; L351-W369 HydrophobicContact CD2-CB 4.17Å; L351-W369 HydrophobicContact CD2-CD2 4.04Å; L351-W369 HydrophobicContact CD2-CE3 4.04Å; L351-W369 HydrophobicContact CD2-CG 4.1Å; L351-W369 HydrophobicContact CG-CB 4.44Å; L351-W369 HydrophobicContact CG-CD2 4.41Å; L351-W369 HydrophobicContact CG-CG 4.2Å; L365-W369 WeakPolarHBondContact O-CB 3.14Å; L365-W369 PolarHBondContact O-N 2.78Å; L365-W369 VanDerWaalsContact O-N 3.1Å; W367-W369 VanDerWaalsContact C-N 3.32Å; W367-W369 PolarHBondContact O-N 3.08Å; W369-R372 WeakPolarHBondContact O-CB 3.45Å; W369-R372 PolarHBondContact O-N 2.86Å; W369-H373 AromaticContact CD1-CE1 3.5Å; W369-H373 VanDerWaalsContact CD1-CE1 3.5Å; W369-H373 AromaticContact CD1-ND1 3.78Å; W369-H373 AromaticContact CD2-ND1 3.95Å; W369-H373 AromaticContact CE2-CE1 3.63Å; W369-H373 AromaticContact CE2-ND1 3.64Å; W369-H373 AromaticContact NE1-CE1 3.12Å; W369-H373 PolarHBondContact NE1-CE1 3.05Å; W369-H373 AromaticContact NE1-ND1 3.55Å; W369-H373 AromaticContact NE1-NE2 3.65Å; W369-H373 PolarHBondContact O-N 3.49Å; W369-H373 PolarHBondContact O-ND1 2.96Å
370	Y	94.6	Very high	94.9	Very high	25 Å²	25	44.7 Å²	44.7	10%	0.098	21%	0.212	C	C	.	.	H	α-helix	trans	-61.6	-46.8	179.7	178.7	-103.1	0	0	0	111.8	T366 W367 R372 H373 E374 R379 V383 P404	T366-Y370 VanDerWaalsContact O-CB 3.25Å; T366-Y370 WeakPolarHBondContact O-CB 3.37Å; T366-Y370 PolarHBondContact O-N 3.15Å; W367-Y370 HydrophobicContact CE3-CD1 4.38Å; W367-Y370 HydrophobicContact CZ3-CD1 4.22Å; W367-Y370 PolarHBondContact O-N 3.46Å; Y370-R372 PolarHBondContact O-N 3.25Å; Y370-H373 PolarHBondContact O-N 2.99Å; Y370-H373 VanDerWaalsContact O-N 3.1Å; Y370-E374 HydrophobicContact CD2-CB 4.36Å; Y370-E374 HydrophobicContact CD2-CG 3.99Å; Y370-E374 HydrophobicContact CE1-CB 4.29Å; Y370-E374 HydrophobicContact CE2-CB 3.87Å; Y370-E374 HydrophobicContact CE2-CG 3.51Å; Y370-E374 PolarHBondContact O-N 3.09Å; Y370-R379 HydrophobicContact CE1-CG 3.76Å; Y370-V383 HydrophobicContact CE1-CG1 3.79Å; Y370-P404 HydrophobicContact CD1-CB 4.33Å; Y370-P404 HydrophobicContact CD2-CB 4.36Å; Y370-P404 HydrophobicContact CD2-CG 4.01Å; Y370-P404 HydrophobicContact CE1-CB 3.95Å; Y370-P404 HydrophobicContact CE2-CB 3.97Å; Y370-P404 HydrophobicContact CE2-CG 3.69Å
371	T	93.4	Very high	95.2	Very high	39 Å²	39	41.7 Å²	41.7	24%	0.239	20%	0.196	C	C	.	.	H	α-helix	trans	-60.3	-31.3	176.7	-57.8	0	0	0	0	112.4	W367 N375	W367-T371 WeakPolarHBondContact O-CB 3.28Å; W367-T371 PolarHBondContact O-N 3.02Å; W367-T371 PolarHBondContact O-OG1 3.35Å; T371-N375 WeakPolarHBondContact O-CB 3.42Å
372	R	91.9	Very high	95.4	Very high	111 Å²	111	38 Å²	38	42%	0.419	18%	0.18	S	C	.	.	H	α-helix	trans	-71.8	-31.5	175.6	-168.4	-177.4	-54.9	129.7	13.8	113.6	G345 V346 E349 E368 W369 Y370	G345-R372 CarbonylContact C-O 3.48Å; G345-R372 WeakPolarHBondContact CA-O 3.36Å; V346-R372 PolarHBondContact N-O 2.85Å; E349-R372 WeakPolarHBondContact OE2-CD 3.36Å; E349-R372 IonicContact OE2-CZ 2.7Å; E349-R372 IonicContact OE2-NE 3.81Å; E349-R372 IonicContact OE2-NH1 2.73Å; E349-R372 PolarHBondContact OE2-NH1 3.15Å; E368-R372 PolarHBondContact O-N 2.86Å; W369-R372 WeakPolarHBondContact O-CB 3.45Å; W369-R372 PolarHBondContact O-N 2.86Å; Y370-R372 PolarHBondContact O-N 3.25Å
373	H	91.8	Very high	95.6	Very high	13 Å²	13	36.9 Å²	36.9	6%	0.06	18%	0.175	C	C	.	.	H	α-helix	trans	-92.9	-32.5	-176.3	-71.2	70.8	0	0	0	112.9	N343 V346 E349 W369 Y370	N343-H373 PolarHBondContact ND2-O 3.16Å; N343-H373 PolarHBondContact OD1-O 3.02Å; V346-H373 WeakPolarHBondContact O-CA 3.46Å; V346-H373 PolarHBondContact O-CD2 3.38Å; V346-H373 PolarHBondContact O-NE2 2.93Å; E349-H373 PolarHBondContact N-NE2 3.22Å; E349-H373 IonicContact OE2-CE1 3.87Å; W369-H373 AromaticContact CD1-CE1 3.5Å; W369-H373 VanDerWaalsContact CD1-CE1 3.5Å; W369-H373 AromaticContact CD1-ND1 3.78Å; W369-H373 AromaticContact CD2-ND1 3.95Å; W369-H373 AromaticContact CE2-CE1 3.63Å; W369-H373 AromaticContact CE2-ND1 3.64Å; W369-H373 AromaticContact NE1-CE1 3.12Å; W369-H373 PolarHBondContact NE1-CE1 3.05Å; W369-H373 AromaticContact NE1-ND1 3.55Å; W369-H373 AromaticContact NE1-NE2 3.65Å; W369-H373 PolarHBondContact O-N 3.49Å; W369-H373 PolarHBondContact O-ND1 2.96Å; Y370-H373 PolarHBondContact O-N 2.99Å; Y370-H373 VanDerWaalsContact O-N 3.1Å
374	E	94.5	Very high	95.7	Very high	56 Å²	56	36.9 Å²	36.9	26%	0.262	18%	0.175	S	C	.	.	S	Bend	trans	-119.8	59.7	-174.3	-56.3	-55.1	158.6	0	0	110.7	H339 N343 Y370 S376 R379	H339-E374 IonicContact CD2-OE2 3.71Å; H339-E374 WeakPolarHBondContact CE1-CA 3.19Å; H339-E374 WeakPolarHBondContact CE1-CB 3.49Å; H339-E374 PolarHBondContact CE1-O 2.74Å; H339-E374 IonicContact CE1-OE2 2.72Å; H339-E374 WeakPolarHBondContact NE2-CA 3.22Å; H339-E374 WeakPolarHBondContact NE2-CB 3.2Å; H339-E374 WeakPolarHBondContact NE2-CG 3.45Å; H339-E374 IonicContact NE2-OE1 2.6Å; H339-E374 CovalentContact NE2-OE2 1.72Å; H339-E374 IonicContact NE2-OE2 2.73Å; H339-E374 PolarHBondContact NE2-OE2 3.37Å; N343-E374 PolarHBondContact ND2-OE2 3.03Å; Y370-E374 HydrophobicContact CD2-CB 4.36Å; Y370-E374 HydrophobicContact CD2-CG 3.99Å; Y370-E374 HydrophobicContact CE1-CB 4.29Å; Y370-E374 HydrophobicContact CE2-CB 3.87Å; Y370-E374 HydrophobicContact CE2-CG 3.51Å; Y370-E374 PolarHBondContact O-N 3.09Å; E374-S376 PolarHBondContact O-N 2.91Å; E374-R379 WeakPolarHBondContact O-CB 3.47Å; E374-R379 WeakPolarHBondContact O-CD 3.48Å; E374-R379 WeakPolarHBondContact O-CG 3.36Å
375	N	95	Very high	95.8	Very high	61 Å²	61	34.7 Å²	34.7	33%	0.326	16%	0.163	S	C	.	.			trans	-93.8	92.2	-174.5	-168.8	45.6	0	0	0	112.9	H339 N343 S344 T371	H339-N375 PolarHBondContact CE1-N 3.19Å; N343-N375 WeakPolarHBondContact CA-O 3.27Å; N343-N375 PolarHBondContact OD1-N 3.24Å; N343-N375 PolarHBondContact OD1-O 2.78Å; S344-N375 PolarHBondContact N-O 2.89Å; S344-N375 PolarHBondContact OG-ND2 3.19Å; S344-N375 PolarHBondContact OG-O 3.08Å; T371-N375 WeakPolarHBondContact O-CB 3.42Å
376	S	96.8	Very high	95.9	Very high	6 Å²	6	33.4 Å²	33.4	4%	0.042	16%	0.157	C	C	.	.	S	Bend	trans	-146.1	160.7	172.5	93.1	0	0	0	0	112.5	H339 L342 E374 V378 R379 D380	H339-S376 PolarHBondContact ND1-OG 2.86Å; L342-S376 WeakPolarHBondContact O-CB 3.36Å; E374-S376 PolarHBondContact O-N 2.91Å; S376-V378 PolarHBondContact O-N 3.11Å; S376-V378 VanDerWaalsContact O-N 3.15Å; S376-V378 PolarHBondContact OG-N 3.36Å; S376-V378 VanDerWaalsContact OG-N 3.15Å; S376-R379 WeakPolarHBondContact O-CA 3.47Å; S376-R379 VanDerWaalsContact O-CB 3.3Å; S376-R379 WeakPolarHBondContact O-CB 3.38Å; S376-R379 PolarHBondContact O-N 2.64Å; S376-D380 PolarHBondContact O-N 3.34Å; S376-D380 VanDerWaalsContact O-N 3.07Å; S376-D380 VanDerWaalsContact O-OD2 3.12Å
377	L	96.8	Very high	96	Very high	45 Å²	45	33.8 Å²	33.8	24%	0.236	16%	0.157	C	C	.	.	H	α-helix	trans	-52.8	-35.4	173.2	177.7	63.9	0	0	0	112.6	F267 R379 D380 L381	F267-L377 HydrophobicContact CB-CD2 3.51Å; F267-L377 HydrophobicContact CD1-CD2 3.64Å; F267-L377 HydrophobicContact CD2-CD2 3.86Å; F267-L377 HydrophobicContact CE1-CD2 4.32Å; F267-L377 HydrophobicContact CE2-CD2 4.49Å; F267-L377 HydrophobicContact CG-CD2 3.38Å; L377-R379 PolarHBondContact O-N 3.07Å; L377-D380 WeakPolarHBondContact O-CB 3.4Å; L377-D380 PolarHBondContact O-N 3.32Å; L377-D380 VanDerWaalsContact O-N 3.09Å; L377-L381 HydrophobicContact CD1-CD1 4.33Å; L377-L381 HydrophobicContact CD1-CD2 4.14Å; L377-L381 HydrophobicContact CD1-CG 3.99Å; L377-L381 HydrophobicContact CG-CD1 4.29Å; L377-L381 HydrophobicContact CG-CG 4.24Å; L377-L381 WeakPolarHBondContact O-CG 3.49Å; L377-L381 PolarHBondContact O-N 3.14Å
378	V	97.6	Very high	96	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-65.9	-32.9	179.7	-161.3	0	0	0	0	110.8	L335 L338 H339 L342 S376 F382 W406	L335-V378 HydrophobicContact CB-CG1 4.28Å; L335-V378 HydrophobicContact CD2-CG1 3.81Å; L338-V378 HydrophobicContact CB-CG2 3.94Å; H339-V378 HydrophobicContact CB-CB 4.09Å; H339-V378 HydrophobicContact CB-CG2 4.32Å; L342-V378 HydrophobicContact CD1-CG2 4.08Å; S376-V378 PolarHBondContact O-N 3.11Å; S376-V378 VanDerWaalsContact O-N 3.15Å; S376-V378 PolarHBondContact OG-N 3.36Å; S376-V378 VanDerWaalsContact OG-N 3.15Å; V378-F382 HydrophobicContact CG1-CD2 3.8Å; V378-F382 HydrophobicContact CG1-CE2 4.34Å; V378-F382 PolarHBondContact O-N 3.47Å; V378-W406 HydrophobicContact CB-CZ3 4.4Å; V378-W406 HydrophobicContact CG1-CZ3 3.74Å
379	R	97.1	Very high	96.1	Very high	24 Å²	24	30 Å²	30	9%	0.091	14%	0.144	C	C	.	.	H	α-helix	trans	-74.2	-29.5	172.1	-171.3	-106.8	79.6	-127	1.8	112.7	Y370 E374 S376 L377 V383	Y370-R379 HydrophobicContact CE1-CG 3.76Å; E374-R379 WeakPolarHBondContact O-CB 3.47Å; E374-R379 WeakPolarHBondContact O-CD 3.48Å; E374-R379 WeakPolarHBondContact O-CG 3.36Å; S376-R379 WeakPolarHBondContact O-CA 3.47Å; S376-R379 VanDerWaalsContact O-CB 3.3Å; S376-R379 WeakPolarHBondContact O-CB 3.38Å; S376-R379 PolarHBondContact O-N 2.64Å; L377-R379 PolarHBondContact O-N 3.07Å; R379-V383 HydrophobicContact CB-CG2 4.32Å; R379-V383 HydrophobicContact CG-CB 4.15Å; R379-V383 HydrophobicContact CG-CG2 4.14Å
380	D	97.5	Very high	96.2	Very high	77 Å²	77	29.1 Å²	29.1	41%	0.412	14%	0.144	S	C	.	.	H	α-helix	trans	-68.2	-39	170.1	-66.7	-64.2	0	0	0	112.8	S376 L377	S376-D380 PolarHBondContact O-N 3.34Å; S376-D380 VanDerWaalsContact O-N 3.07Å; S376-D380 VanDerWaalsContact O-OD2 3.12Å; L377-D380 WeakPolarHBondContact O-CB 3.4Å; L377-D380 PolarHBondContact O-N 3.32Å; L377-D380 VanDerWaalsContact O-N 3.09Å
381	L	98.3	Very high	96.3	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-81.7	-53.2	-175.9	-63.9	-166.6	0	0	0	113.2	T261 E263 L264 L377 K461 Y462	T261-L381 HydrophobicContact CG2-CD1 4.33Å; E263-L381 HydrophobicContact CB-CD1 4.09Å; E263-L381 HydrophobicContact CB-CD2 3.99Å; L264-L381 HydrophobicContact CB-CD1 3.89Å; L377-L381 HydrophobicContact CD1-CD1 4.33Å; L377-L381 HydrophobicContact CD1-CD2 4.14Å; L377-L381 HydrophobicContact CD1-CG 3.99Å; L377-L381 HydrophobicContact CG-CD1 4.29Å; L377-L381 HydrophobicContact CG-CG 4.24Å; L377-L381 WeakPolarHBondContact O-CG 3.49Å; L377-L381 PolarHBondContact O-N 3.14Å; L381-K461 PolarHBondContact O-N 3.31Å; L381-K461 VanDerWaalsContact O-N 3.1Å; L381-Y462 HydrophobicContact CB-CD2 3.91Å; L381-Y462 HydrophobicContact CD1-CD2 4.34Å; L381-Y462 HydrophobicContact CD1-CE2 4.22Å; L381-Y462 HydrophobicContact CD2-CD2 4.08Å; L381-Y462 HydrophobicContact CD2-CE2 3.92Å; L381-Y462 HydrophobicContact CG-CD2 4.3Å; L381-Y462 HydrophobicContact CG-CE2 4.42Å; L381-Y462 PolarHBondContact O-N 3.26Å
382	F	98.4	Very high	96.5	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-105.5	-14.3	-162.9	-64.5	-79.3	0	0	0	115.7	L258 T261 L264 L335 V378 P460 V464	L258-F382 HydrophobicContact CD2-CE1 4.28Å; L258-F382 HydrophobicContact CD2-CE2 4.49Å; L258-F382 HydrophobicContact CD2-CZ 3.72Å; T261-F382 HydrophobicContact CG2-CE1 4.44Å; T261-F382 HydrophobicContact CG2-CZ 3.81Å; L264-F382 HydrophobicContact CD2-CE2 4.3Å; L264-F382 HydrophobicContact CD2-CZ 4.45Å; L335-F382 HydrophobicContact CD1-CG 4.36Å; L335-F382 HydrophobicContact CD2-CD2 4.08Å; L335-F382 HydrophobicContact CD2-CE2 3.92Å; L335-F382 HydrophobicContact CD2-CZ 4.39Å; V378-F382 HydrophobicContact CG1-CD2 3.8Å; V378-F382 HydrophobicContact CG1-CE2 4.34Å; V378-F382 PolarHBondContact O-N 3.47Å; F382-P460 WeakPolarHBondContact O-CB 3.47Å; F382-V464 HydrophobicContact CD1-CG2 4.02Å; F382-V464 HydrophobicContact CE1-CG2 4.25Å
383	V	98.3	Very high	96.8	Very high	6 Å²	6	29.2 Å²	29.2	4%	0.036	15%	0.151	C	C	.	.			trans	-94.8	123.8	-169.4	-176.7	0	0	0	0	112.7	W367 Y370 R379 P404 F405 W406	W367-V383 HydrophobicContact CH2-CG1 4.1Å; W367-V383 HydrophobicContact CZ3-CG1 4.27Å; Y370-V383 HydrophobicContact CE1-CG1 3.79Å; R379-V383 HydrophobicContact CB-CG2 4.32Å; R379-V383 HydrophobicContact CG-CB 4.15Å; R379-V383 HydrophobicContact CG-CG2 4.14Å; V383-P404 HydrophobicContact CG1-CB 3.94Å; V383-F405 CarbonylContact C-O 3.59Å; V383-F405 VanDerWaalsContact CA-O 3.28Å; V383-F405 WeakPolarHBondContact CA-O 3.3Å; V383-W406 HydrophobicContact CG2-CD2 3.63Å; V383-W406 VanDerWaalsContact CG2-CE2 3.43Å; V383-W406 HydrophobicContact CG2-CE3 4.05Å; V383-W406 HydrophobicContact CG2-CG 4.05Å; V383-W406 HydrophobicContact CG2-CH2 4.07Å; V383-W406 HydrophobicContact CG2-CZ2 3.67Å; V383-W406 HydrophobicContact CG2-CZ3 4.27Å
384	G	97.4	Very high	97	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-175	167.6	0	0	0	0	0	112.5	P404 F405 R458	G384-P404 WeakPolarHBondContact O-CA 3.49Å; G384-F405 VanDerWaalsContact C-CE1 3.41Å; G384-F405 VanDerWaalsContact CA-CE1 3.5Å; G384-F405 PolarHBondContact N-O 2.78Å; G384-F405 PolarHBondContact O-N 3.37Å; G384-R458 CarbonylContact C-O 3.56Å; G384-R458 VanDerWaalsContact CA-O 3.26Å; G384-R458 WeakPolarHBondContact CA-O 3.42Å
385	Q	97.7	Very high	97.1	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.009	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	123.4	176.9	-166.4	-179.8	41.6	0	0	110.1	A363 W367 F402 F405 Q457 R458	A363-Q385 PolarHBondContact O-NE2 3.38Å; W367-Q385 HydrophobicContact CE3-CB 3.85Å; W367-Q385 HydrophobicContact CE3-CG 4.17Å; W367-Q385 HydrophobicContact CZ3-CB 3.88Å; Q385-F402 HydrophobicContact CG-CB 4.24Å; Q385-F405 VanDerWaalsContact N-CE1 3.34Å; Q385-Q457 HydrophobicContact CB-CB 4.32Å; Q385-Q457 HydrophobicContact CG-CB 4.32Å; Q385-Q457 PolarHBondContact O-N 2.89Å; Q385-R458 HydrophobicContact CB-CB 3.72Å; Q385-R458 HydrophobicContact CB-CG 3.98Å; Q385-R458 PolarHBondContact N-O 3.27Å; Q385-R458 PolarHBondContact O-N 2.83Å; Q385-R458 VanDerWaalsContact OE1-CD 3.23Å
386	L	97.3	Very high	97.2	Very high	21 Å²	21	32 Å²	32	11%	0.11	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	148.2	167.6	-72.6	170.6	0	0	0	110.1	F402 D403 F405 L408 F427 F454 I456	L386-F402 CarbonylContact O-C 3.55Å; L386-F402 VanDerWaalsContact O-CA 3.29Å; L386-F402 WeakPolarHBondContact O-CA 3.45Å; L386-D403 PolarHBondContact N-O 2.89Å; L386-D403 PolarHBondContact O-N 3.25Å; L386-F405 HydrophobicContact CB-CD1 4.49Å; L386-F405 HydrophobicContact CD1-CB 4.22Å; L386-F405 HydrophobicContact CD1-CD1 4.41Å; L386-F405 HydrophobicContact CD1-CG 4.49Å; L386-F405 HydrophobicContact CD2-CD1 4.28Å; L386-F405 HydrophobicContact CD2-CE1 4.36Å; L386-F405 HydrophobicContact CG-CB 4.35Å; L386-F405 HydrophobicContact CG-CD1 3.66Å; L386-F405 HydrophobicContact CG-CE1 4.2Å; L386-F405 HydrophobicContact CG-CG 4.2Å; L386-L408 HydrophobicContact CD2-CD2 4.3Å; L386-F427 HydrophobicContact CD1-CZ 4.13Å; L386-F427 HydrophobicContact CD2-CE1 3.99Å; L386-F427 HydrophobicContact CD2-CZ 4.22Å; L386-F454 HydrophobicContact CD1-CD1 4.4Å; L386-I456 HydrophobicContact CD2-CG1 3.96Å
387	K	96.5	Very high	97.1	Very high	33 Å²	33	32.9 Å²	32.9	14%	0.143	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	110.7	162	177	-179.2	-176.8	176.6	0	107.8	D359 V400 F402 F454 T455 Q457 A498	D359-K387 WeakPolarHBondContact OD2-CE 3.2Å; D359-K387 IonicContact OD2-NZ 3.77Å; D359-K387 PolarHBondContact OD2-NZ 3.1Å; K387-V400 HydrophobicContact CD-CG1 4.31Å; K387-V400 HydrophobicContact CG-CG1 3.73Å; K387-F402 HydrophobicContact CB-CD1 4Å; K387-F402 HydrophobicContact CB-CE1 3.65Å; K387-F402 HydrophobicContact CD-CE1 3.92Å; K387-F402 HydrophobicContact CD-CZ 4.25Å; K387-F402 HydrophobicContact CG-CD1 4.26Å; K387-F402 HydrophobicContact CG-CE1 3.55Å; K387-F402 HydrophobicContact CG-CZ 4.06Å; K387-F454 WeakPolarHBondContact O-CA 3.5Å; K387-T455 PolarHBondContact N-O 2.86Å; K387-T455 PolarHBondContact O-N 3.14Å; K387-Q457 HydrophobicContact CB-CB 4.27Å; K387-A498 HydrophobicContact CB-CB 4.48Å; K387-A498 HydrophobicContact CD-CB 4.11Å
388	S	96.4	Very high	97	Very high	14 Å²	14	34.1 Å²	34.1	10%	0.098	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.7	176.6	164.5	0	0	0	0	108.8	V400 T401	S388-V400 CarbonylContact O-C 3.44Å; S388-V400 VanDerWaalsContact O-CA 3.31Å; S388-V400 WeakPolarHBondContact O-CA 3.48Å; S388-T401 WeakPolarHBondContact CB-OG1 3.27Å; S388-T401 PolarHBondContact N-O 2.89Å; S388-T401 PolarHBondContact O-N 3.47Å
389	T	96	Very high	96.8	Very high	29 Å²	29	36.6 Å²	36.6	18%	0.178	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.6	-179.8	-56.2	0	0	0	0	109.4	T398 V400 K452 S453	T389-T398 HydrophobicContact CG2-CG2 3.54Å; T389-V400 HydrophobicContact CG2-CG2 4.34Å; T389-K452 CarbonylContact O-C 3.57Å; T389-K452 VanDerWaalsContact O-CA 3.24Å; T389-K452 WeakPolarHBondContact O-CA 3.45Å; T389-S453 PolarHBondContact N-O 2.95Å; T389-S453 PolarHBondContact O-N 3.25Å
390	L	96.6	Very high	96.7	Very high	44 Å²	44	37 Å²	37	23%	0.23	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.3	177.2	-178.8	72.8	0	0	0	109.9	T398 S399 L433 P439 C450 T451 K452	L390-T398 CarbonylContact O-C 3.5Å; L390-T398 WeakPolarHBondContact O-CA 3.39Å; L390-S399 PolarHBondContact N-O 2.73Å; L390-S399 PolarHBondContact O-N 2.83Å; L390-S399 PolarHBondContact O-OG 3Å; L390-L433 HydrophobicContact CD1-CD1 3.87Å; L390-P439 HydrophobicContact CD1-CG 4.24Å; L390-P439 HydrophobicContact CD2-CG 4.29Å; L390-C450 HydrophobicContact CD1-CB 3.72Å; L390-C450 HydrophobicContact CG-CB 4.39Å; L390-T451 WeakPolarHBondContact CA-O 3.43Å; L390-K452 HydrophobicContact CD1-CB 3.98Å; L390-K452 HydrophobicContact CD1-CD 4.48Å
391	K	97.5	Very high	96.5	Very high	99 Å²	99	36.7 Å²	36.7	43%	0.43	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121.2	-172.5	174.2	-179.5	173.5	-169.2	0	111.4	T393 N397 T398 C450 T451	K391-T393 PolarHBondContact O-N 3.1Å; K391-N397 WeakPolarHBondContact CA-O 3.37Å; K391-T398 HydrophobicContact CB-CG2 4.41Å; K391-C450 CarbonylContact O-C 3.55Å; K391-C450 VanDerWaalsContact O-CA 3.23Å; K391-C450 WeakPolarHBondContact O-CA 3.45Å; K391-C450 WeakPolarHBondContact O-CB 3.24Å; K391-T451 PolarHBondContact N-O 3.06Å; K391-T451 PolarHBondContact O-N 3.27Å
392	C	97.8	Very high	96.4	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.02	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	124	176.7	180	0	0	0	0	111.2	T394 G396 N397 C441	C392-T394 VanDerWaalsContact C-N 3.28Å; C392-T394 PolarHBondContact O-N 2.86Å; C392-G396 WeakPolarHBondContact O-CA 3.41Å; C392-G396 PolarHBondContact O-N 3.38Å; C392-N397 HydrophobicContact CB-CB 4.4Å; C392-N397 PolarHBondContact N-O 3.04Å; C392-C441 HydrophobicContact CB-CB 4.3Å; C392-C441 VanDerWaalsContact SG-SG 3.62Å
393	T	97.4	Very high	96.3	Very high	75 Å²	75	40.6 Å²	40.6	46%	0.46	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-23.4	-179	66.4	0	0	0	0	112.7	K391 K449 T451	K391-T393 PolarHBondContact O-N 3.1Å; T393-K449 HydrophobicContact CG2-CG 4.23Å; T393-K449 PolarHBondContact N-O 3.45Å; T393-K449 VanDerWaalsContact N-O 3.08Å; T393-K449 PolarHBondContact OG1-O 3.45Å; T393-T451 HydrophobicContact CG2-CG2 4.12Å
394	T	96.9	Very high	96.2	Very high	84 Å²	84	43 Å²	43	52%	0.515	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-32	-177	-44.6	0	0	0	0	114	C392 R448	C392-T394 VanDerWaalsContact C-N 3.28Å; C392-T394 PolarHBondContact O-N 2.86Å; T394-R448 WeakPolarHBondContact OG1-CD 3.28Å
395	C	96.9	Very high	96.2	Very high	59 Å²	59	43.6 Å²	43.6	40%	0.399	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	8.6	-174.3	70.6	0	0	0	0	114.4	N397 C441 C444	C395-N397 PolarHBondContact O-N 3.33Å; C395-C441 VanDerWaalsContact SG-SG 3.63Å; C395-C444 PolarHBondContact SG-SG 3.49Å
396	G	96.2	Very high	96.2	Very high	46 Å²	46	45.5 Å²	45.5	47%	0.474	27%	0.269	S	S	.	.			trans	66.4	-4.3	-179	0	0	0	0	0	115.5	C392 T398	C392-G396 WeakPolarHBondContact O-CA 3.41Å; C392-G396 PolarHBondContact O-N 3.38Å; G396-T398 PolarHBondContact O-N 3.37Å; G396-T398 PolarHBondContact O-OG1 3.01Å
397	N	95	Very high	96.3	Very high	25 Å²	25	45.1 Å²	45.1	13%	0.134	27%	0.267	C	S	.	.			trans	-61.4	116.4	-174.7	-172.8	85	0	0	0	111.2	K391 C392 C395 K443	K391-N397 WeakPolarHBondContact CA-O 3.37Å; C392-N397 HydrophobicContact CB-CB 4.4Å; C392-N397 PolarHBondContact N-O 3.04Å; C395-N397 PolarHBondContact O-N 3.33Å; N397-K443 HydrophobicContact CB-CB 4.29Å; N397-K443 HydrophobicContact CB-CD 4.04Å; N397-K443 HydrophobicContact CB-CG 4.26Å; N397-K443 WeakPolarHBondContact OD1-CD 3.24Å; N397-K443 WeakPolarHBondContact OD1-CE 3.41Å; N397-K443 WeakPolarHBondContact OD1-CG 3.44Å; N397-K443 PolarHBondContact OD1-NZ 3.25Å
398	T	94.4	Very high	96.3	Very high	71 Å²	71	43.6 Å²	43.6	44%	0.436	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	138.3	175.4	-54.7	0	0	0	0	109.5	T389 L390 K391 G396	T389-T398 HydrophobicContact CG2-CG2 3.54Å; L390-T398 CarbonylContact O-C 3.5Å; L390-T398 WeakPolarHBondContact O-CA 3.39Å; K391-T398 HydrophobicContact CB-CG2 4.41Å; G396-T398 PolarHBondContact O-N 3.37Å; G396-T398 PolarHBondContact O-OG1 3.01Å
399	S	92.8	Very high	96.4	Very high	53 Å²	53	44.1 Å²	44.1	37%	0.371	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	138.9	174	49.3	0	0	0	0	108.9	L390	L390-S399 PolarHBondContact N-O 2.73Å; L390-S399 PolarHBondContact O-N 2.83Å; L390-S399 PolarHBondContact O-OG 3Å
400	V	94.5	Very high	96.5	Very high	33 Å²	33	42.8 Å²	42.8	20%	0.2	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.8	-175.2	177.6	0	0	0	0	109.4	K387 S388 T389 F402	K387-V400 HydrophobicContact CD-CG1 4.31Å; K387-V400 HydrophobicContact CG-CG1 3.73Å; S388-V400 CarbonylContact O-C 3.44Å; S388-V400 VanDerWaalsContact O-CA 3.31Å; S388-V400 WeakPolarHBondContact O-CA 3.48Å; T389-V400 HydrophobicContact CG2-CG2 4.34Å; V400-F402 HydrophobicContact CG1-CD2 4.33Å; V400-F402 HydrophobicContact CG1-CE1 4.21Å; V400-F402 HydrophobicContact CG1-CE2 3.59Å; V400-F402 HydrophobicContact CG1-CZ 3.52Å
401	T	94.6	Very high	96.4	Very high	69 Å²	69	42.6 Å²	42.6	42%	0.423	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	155.2	169.6	63.3	0	0	0	0	110.7	S388 D403	S388-T401 WeakPolarHBondContact CB-OG1 3.27Å; S388-T401 PolarHBondContact N-O 2.89Å; S388-T401 PolarHBondContact O-N 3.47Å; T401-D403 WeakPolarHBondContact CB-OD2 3.39Å; T401-D403 PolarHBondContact OG1-OD2 3.15Å
402	F	96.6	Very high	96.3	Very high	14 Å²	14	38.9 Å²	38.9	6%	0.061	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	111	179.6	-66.4	-79.3	0	0	0	109.6	D359 K362 A363 T366 Q385 L386 K387 V400 Q457	D359-F402 HydrophobicContact CB-CZ 4.1Å; D359-F402 VanDerWaalsContact O-CE2 3.32Å; D359-F402 WeakPolarHBondContact O-CE2 3.29Å; D359-F402 WeakPolarHBondContact O-CZ 3.16Å; K362-F402 HydrophobicContact CB-CD2 4.13Å; K362-F402 HydrophobicContact CB-CE2 3.74Å; A363-F402 HydrophobicContact CB-CD1 3.63Å; A363-F402 HydrophobicContact CB-CD2 4.22Å; A363-F402 HydrophobicContact CB-CE1 3.56Å; A363-F402 HydrophobicContact CB-CE2 4.17Å; A363-F402 HydrophobicContact CB-CG 3.97Å; A363-F402 HydrophobicContact CB-CZ 3.84Å; T366-F402 HydrophobicContact CG2-CB 4.21Å; T366-F402 WeakPolarHBondContact CG2-O 3.07Å; Q385-F402 HydrophobicContact CG-CB 4.24Å; L386-F402 CarbonylContact O-C 3.55Å; L386-F402 VanDerWaalsContact O-CA 3.29Å; L386-F402 WeakPolarHBondContact O-CA 3.45Å; K387-F402 HydrophobicContact CB-CD1 4Å; K387-F402 HydrophobicContact CB-CE1 3.65Å; K387-F402 HydrophobicContact CD-CE1 3.92Å; K387-F402 HydrophobicContact CD-CZ 4.25Å; K387-F402 HydrophobicContact CG-CD1 4.26Å; K387-F402 HydrophobicContact CG-CE1 3.55Å; K387-F402 HydrophobicContact CG-CZ 4.06Å; V400-F402 HydrophobicContact CG1-CD2 4.33Å; V400-F402 HydrophobicContact CG1-CE1 4.21Å; V400-F402 HydrophobicContact CG1-CE2 3.59Å; V400-F402 HydrophobicContact CG1-CZ 3.52Å; F402-Q457 HydrophobicContact CD1-CB 4.28Å; F402-Q457 HydrophobicContact CD1-CG 4.06Å; F402-Q457 HydrophobicContact CE1-CB 4.39Å; F402-Q457 HydrophobicContact CE1-CG 3.98Å
403	D	95.2	Very high	96.1	Very high	72 Å²	72	40 Å²	40	39%	0.385	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.1	-162.8	-63.9	-75.7	0	0	0	109.9	L386 T401	L386-D403 PolarHBondContact N-O 2.89Å; L386-D403 PolarHBondContact O-N 3.25Å; T401-D403 WeakPolarHBondContact CB-OD2 3.39Å; T401-D403 PolarHBondContact OG1-OD2 3.15Å
404	P	97.1	Very high	95.7	Very high	57 Å²	57	42.4 Å²	42.4	37%	0.37	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	137.9	-179.8	29.3	-33.9	0	0	0	111.2	Y370 V383 G384	Y370-P404 HydrophobicContact CD1-CB 4.33Å; Y370-P404 HydrophobicContact CD2-CB 4.36Å; Y370-P404 HydrophobicContact CD2-CG 4.01Å; Y370-P404 HydrophobicContact CE1-CB 3.95Å; Y370-P404 HydrophobicContact CE2-CB 3.97Å; Y370-P404 HydrophobicContact CE2-CG 3.69Å; V383-P404 HydrophobicContact CG1-CB 3.94Å; G384-P404 WeakPolarHBondContact O-CA 3.49Å
405	F	97.5	Very high	95.5	Very high	13 Å²	13	41.5 Å²	41.5	6%	0.057	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	149.5	178.8	76.5	-88.3	0	0	0	112	V383 G384 Q385 L386 L408 I456 P460 L463	V383-F405 CarbonylContact C-O 3.59Å; V383-F405 VanDerWaalsContact CA-O 3.28Å; V383-F405 WeakPolarHBondContact CA-O 3.3Å; G384-F405 VanDerWaalsContact C-CE1 3.41Å; G384-F405 VanDerWaalsContact CA-CE1 3.5Å; G384-F405 PolarHBondContact N-O 2.78Å; G384-F405 PolarHBondContact O-N 3.37Å; Q385-F405 VanDerWaalsContact N-CE1 3.34Å; L386-F405 HydrophobicContact CB-CD1 4.49Å; L386-F405 HydrophobicContact CD1-CB 4.22Å; L386-F405 HydrophobicContact CD1-CD1 4.41Å; L386-F405 HydrophobicContact CD1-CG 4.49Å; L386-F405 HydrophobicContact CD2-CD1 4.28Å; L386-F405 HydrophobicContact CD2-CE1 4.36Å; L386-F405 HydrophobicContact CG-CB 4.35Å; L386-F405 HydrophobicContact CG-CD1 3.66Å; L386-F405 HydrophobicContact CG-CE1 4.2Å; L386-F405 HydrophobicContact CG-CG 4.2Å; F405-L408 HydrophobicContact CD2-CD2 3.51Å; F405-L408 HydrophobicContact CD2-CG 4Å; F405-L408 HydrophobicContact CE2-CD1 4.3Å; F405-L408 HydrophobicContact CE2-CD2 3.53Å; F405-L408 HydrophobicContact CE2-CG 3.7Å; F405-L408 HydrophobicContact CG-CD2 4.07Å; F405-L408 HydrophobicContact CZ-CD2 4.07Å; F405-L408 HydrophobicContact CZ-CG 4.43Å; F405-I456 HydrophobicContact CE1-CG2 4.09Å; F405-I456 HydrophobicContact CZ-CG2 4.18Å; F405-P460 HydrophobicContact CE2-CG 4.32Å; F405-P460 HydrophobicContact CZ-CG 4.41Å; F405-L463 HydrophobicContact CE2-CD1 4.03Å
406	W	97.4	Very high	95.3	Very high	41 Å²	41	43.5 Å²	43.5	16%	0.155	28%	0.281	C	S	.	.	S	Bend	trans	-115.2	-26.3	-175.8	-64.3	60.9	0	0	0	112	L335 H339 V378 V383	L335-W406 HydrophobicContact CB-CE3 3.93Å; L335-W406 HydrophobicContact CB-CZ3 3.97Å; L335-W406 HydrophobicContact CD1-CE3 4.33Å; H339-W406 HydrophobicContact CB-CH2 3.64Å; H339-W406 HydrophobicContact CB-CZ3 4.15Å; H339-W406 AromaticContact CG-CH2 3.61Å; H339-W406 AromaticContact ND1-CH2 3.83Å; V378-W406 HydrophobicContact CB-CZ3 4.4Å; V378-W406 HydrophobicContact CG1-CZ3 3.74Å; V383-W406 HydrophobicContact CG2-CD2 3.63Å; V383-W406 VanDerWaalsContact CG2-CE2 3.43Å; V383-W406 HydrophobicContact CG2-CE3 4.05Å; V383-W406 HydrophobicContact CG2-CG 4.05Å; V383-W406 HydrophobicContact CG2-CH2 4.07Å; V383-W406 HydrophobicContact CG2-CZ2 3.67Å; V383-W406 HydrophobicContact CG2-CZ3 4.27Å
407	D	98.2	Very high	95.3	Very high	13 Å²	13	47.3 Å²	47.3	7%	0.07	28%	0.281	C	S	.	.	S	Bend	trans	-146.1	154.9	172.4	71.7	-74	0	0	0	108.9	Q328 R332 S409 V464	Q328-D407 PolarHBondContact NE2-OD1 3.26Å; Q328-D407 PolarHBondContact NE2-OD2 2.74Å; R332-D407 WeakPolarHBondContact CD-OD1 3.45Å; R332-D407 IonicContact CZ-OD1 2.76Å; R332-D407 IonicContact NE-OD1 3.8Å; R332-D407 IonicContact NH1-OD1 3.37Å; R332-D407 PolarHBondContact NH1-OD1 3.15Å; D407-S409 PolarHBondContact OD2-OG 2.45Å; D407-V464 CarbonylContact C-O 3.59Å; D407-V464 WeakPolarHBondContact CA-O 3.4Å; D407-V464 HydrophobicContact CB-CB 3.92Å; D407-V464 HydrophobicContact CB-CG1 3.92Å
408	L	98.1	Very high	95.4	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	100.2	168.5	-63.7	-177.7	0	0	0	109.4	L386 F405 V410 L424 F427 I456 L463 V464 I465 H466 M493	L386-L408 HydrophobicContact CD2-CD2 4.3Å; F405-L408 HydrophobicContact CD2-CD2 3.51Å; F405-L408 HydrophobicContact CD2-CG 4Å; F405-L408 HydrophobicContact CE2-CD1 4.3Å; F405-L408 HydrophobicContact CE2-CD2 3.53Å; F405-L408 HydrophobicContact CE2-CG 3.7Å; F405-L408 HydrophobicContact CG-CD2 4.07Å; F405-L408 HydrophobicContact CZ-CD2 4.07Å; F405-L408 HydrophobicContact CZ-CG 4.43Å; L408-V410 HydrophobicContact CB-CG1 4.25Å; L408-V410 PolarHBondContact O-N 2.87Å; L408-V410 VanDerWaalsContact O-N 3.14Å; L408-L424 HydrophobicContact CD1-CD2 4.42Å; L408-F427 HydrophobicContact CD2-CE1 3.98Å; L408-F427 HydrophobicContact CD2-CZ 3.87Å; L408-I456 HydrophobicContact CD1-CD1 3.86Å; L408-L463 HydrophobicContact CD1-CD1 3.94Å; L408-L463 HydrophobicContact CG-CD1 4.1Å; L408-V464 PolarHBondContact N-O 3.37Å; L408-I465 WeakPolarHBondContact O-CA 3.29Å; L408-H466 PolarHBondContact O-N 3.16Å; L408-M493 HydrophobicContact CD1-CE 4.26Å
409	S	97.8	Very high	95.6	Very high	25 Å²	25	49.3 Å²	49.3	18%	0.175	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	87.4	173.1	-69.9	0	0	0	0	110.6	Q328 D407 H466 K468	Q328-S409 PolarHBondContact NE2-OG 3.49Å; D407-S409 PolarHBondContact OD2-OG 2.45Å; S409-H466 CarbonylContact C-O 3.55Å; S409-H466 WeakPolarHBondContact CA-O 3.48Å; S409-H466 WeakPolarHBondContact CB-ND1 3.43Å; S409-H466 PolarHBondContact OG-ND1 3.41Å; S409-K468 WeakPolarHBondContact O-CD 3.47Å; S409-K468 WeakPolarHBondContact O-CE 3.4Å; S409-K468 PolarHBondContact O-NZ 1.72Å
410	V	97.3	Very high	95.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	142	-172.6	-61.4	0	0	0	0	112.9	L408 C423 L424 F427 I465 H466 L467 K468	L408-V410 HydrophobicContact CB-CG1 4.25Å; L408-V410 PolarHBondContact O-N 2.87Å; L408-V410 VanDerWaalsContact O-N 3.14Å; V410-C423 HydrophobicContact CB-CB 4.19Å; V410-C423 HydrophobicContact CG2-CB 3.83Å; V410-L424 HydrophobicContact CG1-CD2 3.94Å; V410-F427 HydrophobicContact CB-CB 4.48Å; V410-F427 HydrophobicContact CG1-CB 4.07Å; V410-F427 HydrophobicContact CG1-CD2 4.34Å; V410-F427 HydrophobicContact CG1-CG 4.23Å; V410-I465 HydrophobicContact CG1-CG2 4.06Å; V410-I465 HydrophobicContact CG2-CG2 3.77Å; V410-H466 PolarHBondContact N-O 3.46Å; V410-L467 HydrophobicContact CG2-CD2 3.7Å; V410-K468 VanDerWaalsContact O-CB 3.27Å; V410-K468 WeakPolarHBondContact O-CB 3.12Å; V410-K468 WeakPolarHBondContact O-CG 3.49Å; V410-K468 PolarHBondContact O-N 3.31Å
411	P	95.8	Very high	95.9	Very high	40 Å²	40	48 Å²	48	26%	0.26	27%	0.27	S	S	.	.			trans	-72.6	157.7	169.7	34.5	-35.2	0	0	0	110.7	C423 L426	P411-C423 WeakPolarHBondContact O-CA 3.16Å; P411-C423 VanDerWaalsContact O-CB 3.31Å; P411-C423 WeakPolarHBondContact O-CB 3.39Å; P411-L426 HydrophobicContact CG-CB 3.77Å
412	L	94.8	Very high	96	Very high	22 Å²	22	46.2 Å²	46.2	12%	0.115	26%	0.263	C	S	.	.			trans	-109.7	142.7	176	-65.6	80.9	0	0	0	110.4	L467 K468 R469 L478 N480 V482	L412-L467 HydrophobicContact CD1-CB 4.13Å; L412-L467 HydrophobicContact CD2-CB 4.44Å; L412-K468 HydrophobicContact CD1-CB 4.27Å; L412-K468 VanDerWaalsContact CD1-N 3.31Å; L412-K468 WeakPolarHBondContact CD1-O 3.46Å; L412-R469 HydrophobicContact CD2-CG 4.26Å; L412-L478 HydrophobicContact CB-CD1 4.27Å; L412-N480 WeakPolarHBondContact CD2-OD1 3.19Å; L412-V482 HydrophobicContact CD2-CG2 3.73Å; L412-V482 HydrophobicContact CG-CG2 4.47Å
413	P	93.4	Very high	96.1	Very high	25 Å²	25	45.6 Å²	45.6	16%	0.162	26%	0.26	C	S	.	.			trans	-67.8	159.1	172.8	29.3	-34.8	0	0	0	111.4	S415 C418 L426 N480	P413-S415 PolarHBondContact O-N 3.45Å; P413-S415 VanDerWaalsContact O-N 3.1Å; P413-C418 HydrophobicContact CG-CB 3.45Å; P413-C418 VanDerWaalsContact CG-CB 3.45Å; P413-C418 WeakPolarHBondContact CG-SG 3.41Å; P413-L426 HydrophobicContact CB-CD1 3.82Å; P413-L426 HydrophobicContact CG-CD1 4.44Å; P413-N480 PolarHBondContact O-ND2 2.96Å
414	S	89.7	Confident	96.2	Very high	126 Å²	126	42.2 Å²	42.2	88%	0.881	24%	0.242	S	C	*	.	S	Bend	trans	-64.7	-11.1	178.1	-54.6	0	0	0	0	114.7
415	S	92.4	Very high	96.1	Very high	65 Å²	65	43.3 Å²	43.3	46%	0.455	25%	0.245	S	C	.	.	S	Bend	trans	-66.8	139.7	179.2	-52.4	0	0	0	0	112	P413 R417 N480	P413-S415 PolarHBondContact O-N 3.45Å; P413-S415 VanDerWaalsContact O-N 3.1Å; S415-R417 VanDerWaalsContact CB-O 3.24Å; S415-R417 WeakPolarHBondContact CB-O 3.43Å; S415-R417 PolarHBondContact O-N 2.98Å; S415-N480 VanDerWaalsContact O-CB 3.23Å; S415-N480 WeakPolarHBondContact O-CB 3.46Å; S415-N480 PolarHBondContact O-ND2 3.22Å; S415-N480 VanDerWaalsContact O-ND2 3.14Å
416	S	93.1	Very high	96.1	Very high	102 Å²	102	45.3 Å²	45.3	71%	0.713	26%	0.256	S	S	*	.	S	Bend	trans	-65.9	-20.9	175.7	53.8	0	0	0	0	113.8	N480 I481	S416-N480 CarbonylContact O-C 3.54Å; S416-N480 VanDerWaalsContact O-CA 3.22Å; S416-N480 WeakPolarHBondContact O-CA 3.27Å; S416-N480 VanDerWaalsContact O-CB 3.28Å; S416-N480 WeakPolarHBondContact O-CB 3.47Å; S416-I481 PolarHBondContact O-N 2.91Å
417	R	96.7	Very high	96	Very high	126 Å²	126	44.7 Å²	44.7	48%	0.475	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	139	169.1	-170.7	168.8	-177	115.3	1.2	109.2	S415 I481 E483	S415-R417 VanDerWaalsContact CB-O 3.24Å; S415-R417 WeakPolarHBondContact CB-O 3.43Å; S415-R417 PolarHBondContact O-N 2.98Å; R417-I481 VanDerWaalsContact CA-O 3.3Å; R417-I481 WeakPolarHBondContact CA-O 3.36Å; R417-I481 HydrophobicContact CG-CB 4.18Å; R417-I481 HydrophobicContact CG-CG2 4.48Å; R417-E483 HydrophobicContact CG-CG 4.39Å; R417-E483 IonicContact CZ-OE1 3.88Å; R417-E483 IonicContact NE-OE1 3.81Å; R417-E483 PolarHBondContact NE-OE1 2.74Å; R417-E483 IonicContact NH2-OE1 1.72Å; R417-E483 PolarHBondContact NH2-OE1 2.86Å
418	C	96.8	Very high	95.9	Very high	14 Å²	14	46.2 Å²	46.2	10%	0.095	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	170.4	177.6	65.3	0	0	0	0	110.2	P413 I481 V482 E483	P413-C418 HydrophobicContact CG-CB 3.45Å; P413-C418 VanDerWaalsContact CG-CB 3.45Å; P413-C418 WeakPolarHBondContact CG-SG 3.41Å; C418-I481 PolarHBondContact N-O 2.87Å; C418-V482 CarbonylContact O-C 3.55Å; C418-V482 WeakPolarHBondContact O-CA 3.24Å; C418-E483 PolarHBondContact O-N 2.8Å
419	K	97.1	Very high	95.8	Very high	123 Å²	123	53 Å²	53	54%	0.535	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	162	168.3	-52.8	-168.2	168.8	-167	0	112.3	E421 A422 E483	K419-E421 VanDerWaalsContact C-N 3.31Å; K419-E421 WeakPolarHBondContact CB-OE2 3.37Å; K419-A422 WeakPolarHBondContact O-CB 3.31Å; K419-A422 PolarHBondContact O-N 2.96Å; K419-E483 CarbonylContact C-O 3.54Å; K419-E483 WeakPolarHBondContact CA-O 3.23Å; K419-E483 HydrophobicContact CG-CB 4.37Å
420	L	97.7	Very high	95.7	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64.3	-36.3	176.7	-178.6	61.5	0	0	0	112	A422 C423 L424 I465 L467 V482 E483 F484 L491 L560 Y562	L420-A422 VanDerWaalsContact C-N 3.26Å; L420-A422 PolarHBondContact O-N 3.42Å; L420-C423 WeakPolarHBondContact O-CA 3.44Å; L420-C423 VanDerWaalsContact O-CB 3.32Å; L420-C423 WeakPolarHBondContact O-CB 3.38Å; L420-C423 PolarHBondContact O-N 2.92Å; L420-L424 HydrophobicContact CG-CD1 4.23Å; L420-L424 PolarHBondContact O-N 3.36Å; L420-I465 HydrophobicContact CD1-CG2 4.21Å; L420-I465 HydrophobicContact CD2-CD1 4.15Å; L420-L467 HydrophobicContact CD1-CD2 4.05Å; L420-V482 HydrophobicContact CB-CG1 4.08Å; L420-V482 HydrophobicContact CD1-CG1 4.21Å; L420-E483 WeakPolarHBondContact CB-O 3.46Å; L420-E483 PolarHBondContact N-O 3.34Å; L420-F484 HydrophobicContact CB-CB 4.05Å; L420-F484 HydrophobicContact CD2-CB 3.87Å; L420-L491 HydrophobicContact CD2-CD1 4.18Å; L420-L491 HydrophobicContact CD2-CD2 3.85Å; L420-L560 HydrophobicContact CD1-CD1 4.1Å; L420-L560 HydrophobicContact CD2-CD1 3.9Å; L420-Y562 HydrophobicContact CD2-CE2 4.18Å; L420-Y562 WeakPolarHBondContact CD2-OH 3.46Å
421	E	96.6	Very high	95.6	Very high	58 Å²	58	59.7 Å²	59.7	27%	0.271	32%	0.316	S	S	.	.	H	α-helix	trans	-56.4	-41.4	173.9	-61.2	82	177.4	0	0	110.4	K419 C423 L424 D425 Y496	K419-E421 VanDerWaalsContact C-N 3.31Å; K419-E421 WeakPolarHBondContact CB-OE2 3.37Å; E421-C423 VanDerWaalsContact C-N 3.25Å; E421-C423 PolarHBondContact O-N 2.85Å; E421-L424 CarbonylContact O-C 3.56Å; E421-L424 WeakPolarHBondContact O-CB 3.29Å; E421-L424 PolarHBondContact O-N 2.98Å; E421-D425 WeakPolarHBondContact O-CB 3.41Å; E421-D425 PolarHBondContact O-N 2.8Å; E421-Y496 PolarHBondContact O-OH 2.76Å
422	A	97.1	Very high	95.6	Very high	33 Å²	33	61.7 Å²	61.7	27%	0.273	33%	0.327	S	S	.	.	H	α-helix	trans	-65.7	-25.5	176.2	0	0	0	0	0	113.5	K419 L420 L426	K419-A422 WeakPolarHBondContact O-CB 3.31Å; K419-A422 PolarHBondContact O-N 2.96Å; L420-A422 VanDerWaalsContact C-N 3.26Å; L420-A422 PolarHBondContact O-N 3.42Å; A422-L426 VanDerWaalsContact O-CG 3.27Å; A422-L426 WeakPolarHBondContact O-CG 3.49Å; A422-L426 PolarHBondContact O-N 3.39Å
423	C	97.6	Very high	95.7	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-77.2	-35.6	171.9	-58.4	0	0	0	0	111.6	V410 P411 L420 E421 F427	V410-C423 HydrophobicContact CB-CB 4.19Å; V410-C423 HydrophobicContact CG2-CB 3.83Å; P411-C423 WeakPolarHBondContact O-CA 3.16Å; P411-C423 VanDerWaalsContact O-CB 3.31Å; P411-C423 WeakPolarHBondContact O-CB 3.39Å; L420-C423 WeakPolarHBondContact O-CA 3.44Å; L420-C423 VanDerWaalsContact O-CB 3.32Å; L420-C423 WeakPolarHBondContact O-CB 3.38Å; L420-C423 PolarHBondContact O-N 2.92Å; E421-C423 VanDerWaalsContact C-N 3.25Å; E421-C423 PolarHBondContact O-N 2.85Å; C423-F427 PolarHBondContact O-N 2.84Å; C423-F427 VanDerWaalsContact O-N 3.11Å
424	L	97.3	Very high	95.8	Very high	2 Å²	2	64.1 Å²	64.1	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-71.2	-41.6	175.4	-69.2	164.4	0	0	0	111.7	L408 V410 L420 E421 L426 F427 I428 L491 M493 Y496	L408-L424 HydrophobicContact CD1-CD2 4.42Å; V410-L424 HydrophobicContact CG1-CD2 3.94Å; L420-L424 HydrophobicContact CG-CD1 4.23Å; L420-L424 PolarHBondContact O-N 3.36Å; E421-L424 CarbonylContact O-C 3.56Å; E421-L424 WeakPolarHBondContact O-CB 3.29Å; E421-L424 PolarHBondContact O-N 2.98Å; L424-L426 VanDerWaalsContact C-N 3.32Å; L424-L426 PolarHBondContact O-N 2.81Å; L424-F427 WeakPolarHBondContact O-CA 3.28Å; L424-F427 WeakPolarHBondContact O-CB 3.4Å; L424-F427 PolarHBondContact O-N 3.16Å; L424-I428 PolarHBondContact O-N 3.19Å; L424-L491 HydrophobicContact CD1-CD1 4.29Å; L424-M493 HydrophobicContact CD1-CE 4.38Å; L424-M493 HydrophobicContact CD1-SD 3.68Å; L424-M493 HydrophobicContact CD2-CE 4.07Å; L424-M493 HydrophobicContact CD2-SD 4.39Å; L424-Y496 HydrophobicContact CB-CD1 4.18Å; L424-Y496 HydrophobicContact CB-CD2 4.39Å; L424-Y496 HydrophobicContact CB-CE1 3.64Å; L424-Y496 HydrophobicContact CB-CE2 3.87Å; L424-Y496 VanDerWaalsContact CB-CZ 3.48Å; L424-Y496 HydrophobicContact CD1-CD2 4.34Å; L424-Y496 HydrophobicContact CD1-CE2 3.83Å; L424-Y496 HydrophobicContact CG-CE2 4.44Å
425	D	96.5	Very high	96	Very high	79 Å²	79	59.9 Å²	59.9	42%	0.422	32%	0.315	S	S	.	.	H	α-helix	trans	-56.2	-47.4	171.4	-64.2	-14	0	0	0	110.2	E421 F427 I428 R429 Y496	E421-D425 WeakPolarHBondContact O-CB 3.41Å; E421-D425 PolarHBondContact O-N 2.8Å; D425-F427 PolarHBondContact O-N 3.32Å; D425-I428 PolarHBondContact O-N 2.89Å; D425-R429 WeakPolarHBondContact O-CB 3.4Å; D425-R429 PolarHBondContact O-N 2.87Å; D425-Y496 VanDerWaalsContact OD1-CE1 3.24Å; D425-Y496 WeakPolarHBondContact OD1-CE1 3.39Å; D425-Y496 PolarHBondContact OD1-OH 3.24Å
426	L	96.1	Very high	96.1	Very high	56 Å²	56	63.7 Å²	63.7	29%	0.293	33%	0.331	S	S	.	.	H	α-helix	trans	-66.2	-20.7	174.9	-74.8	178.2	0	0	0	114.1	P411 P413 A422 L424	P411-L426 HydrophobicContact CG-CB 3.77Å; P413-L426 HydrophobicContact CB-CD1 3.82Å; P413-L426 HydrophobicContact CG-CD1 4.44Å; A422-L426 VanDerWaalsContact O-CG 3.27Å; A422-L426 WeakPolarHBondContact O-CG 3.49Å; A422-L426 PolarHBondContact O-N 3.39Å; L424-L426 VanDerWaalsContact C-N 3.32Å; L424-L426 PolarHBondContact O-N 2.81Å
427	F	96.3	Very high	96.2	Very high	28 Å²	28	65.4 Å²	65.4	12%	0.123	33%	0.327	C	S	.	.	H	α-helix	trans	-81.9	-39.2	175.5	176.1	-94.5	0	0	0	112.5	L386 L408 V410 C423 L424 D425 F454	L386-F427 HydrophobicContact CD1-CZ 4.13Å; L386-F427 HydrophobicContact CD2-CE1 3.99Å; L386-F427 HydrophobicContact CD2-CZ 4.22Å; L408-F427 HydrophobicContact CD2-CE1 3.98Å; L408-F427 HydrophobicContact CD2-CZ 3.87Å; V410-F427 HydrophobicContact CB-CB 4.48Å; V410-F427 HydrophobicContact CG1-CB 4.07Å; V410-F427 HydrophobicContact CG1-CD2 4.34Å; V410-F427 HydrophobicContact CG1-CG 4.23Å; C423-F427 PolarHBondContact O-N 2.84Å; C423-F427 VanDerWaalsContact O-N 3.11Å; L424-F427 WeakPolarHBondContact O-CA 3.28Å; L424-F427 WeakPolarHBondContact O-CB 3.4Å; L424-F427 PolarHBondContact O-N 3.16Å; D425-F427 PolarHBondContact O-N 3.32Å; F427-F454 HydrophobicContact CE1-CB 4.24Å
428	I	95.4	Very high	96.1	Very high	45 Å²	45	61.9 Å²	61.9	23%	0.231	32%	0.317	C	S	.	.	H	α-helix	trans	-84	-25.8	177.9	62	148.4	0	0	0	113.8	L424 D425 F454 Y496	L424-I428 PolarHBondContact O-N 3.19Å; D425-I428 PolarHBondContact O-N 2.89Å; I428-F454 WeakPolarHBondContact CA-O 3.45Å; I428-F454 VanDerWaalsContact CB-O 3.23Å; I428-F454 WeakPolarHBondContact CB-O 3.31Å; I428-F454 WeakPolarHBondContact CG2-O 3.48Å; I428-Y496 HydrophobicContact CB-CD1 4.5Å; I428-Y496 HydrophobicContact CD1-CD1 3.68Å; I428-Y496 HydrophobicContact CD1-CE1 4.04Å; I428-Y496 HydrophobicContact CG1-CD1 3.85Å; I428-Y496 HydrophobicContact CG1-CE1 4.13Å; I428-Y496 HydrophobicContact CG2-CD1 3.86Å
429	R	95.8	Very high	96.1	Very high	145 Å²	145	62.8 Å²	62.8	55%	0.547	32%	0.323	S	S	.	.	S	Bend	trans	-54	141.2	-175.9	179.4	-178.5	61.6	71.4	1.1	111.7	D425 E431	D425-R429 WeakPolarHBondContact O-CB 3.4Å; D425-R429 PolarHBondContact O-N 2.87Å; R429-E431 PolarHBondContact O-N 3.37Å
430	E	96.1	Very high	96.1	Very high	92 Å²	92	61.6 Å²	61.6	43%	0.43	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-57.1	118.5	174.2	-165.5	174.9	63.2	0	0	111.5	T451 K452	E430-T451 VanDerWaalsContact CG-CB 3.48Å; E430-T451 HydrophobicContact CG-CG2 4.05Å; E430-T451 WeakPolarHBondContact OE2-CB 3.5Å; E430-T451 PolarHBondContact OE2-OG1 2.87Å; E430-K452 CarbonylContact C-O 3.6Å; E430-K452 WeakPolarHBondContact CA-O 3.43Å
431	E	95.4	Very high	96	Very high	72 Å²	72	62 Å²	62	34%	0.336	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	150.1	171	73.3	-176.3	168.8	0	0	110.4	R429 L433 T451 K452	R429-E431 PolarHBondContact O-N 3.37Å; E431-L433 HydrophobicContact CG-CD2 4.29Å; E431-T451 CarbonylContact O-C 3.56Å; E431-T451 VanDerWaalsContact O-CA 3.32Å; E431-T451 WeakPolarHBondContact O-CA 3.35Å; E431-K452 HydrophobicContact CG-CB 3.85Å; E431-K452 HydrophobicContact CG-CG 4.32Å; E431-K452 PolarHBondContact N-O 2.82Å; E431-K452 PolarHBondContact O-N 2.9Å; E431-K452 WeakPolarHBondContact OE1-CD 3.06Å; E431-K452 WeakPolarHBondContact OE1-CG 3.45Å; E431-K452 IonicContact OE1-NZ 2.66Å; E431-K452 PolarHBondContact OE1-NZ 3.3Å
432	V	96.7	Very high	95.8	Very high	83 Å²	83	62.3 Å²	62.3	50%	0.503	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	112.2	-177.2	-179	0	0	0	0	108.6	D434 K449 T451	V432-D434 HydrophobicContact CG1-CB 4.37Å; V432-K449 HydrophobicContact CG1-CD 4.42Å; V432-K449 HydrophobicContact CG1-CG 4.27Å; V432-T451 HydrophobicContact CG2-CG2 4.39Å
433	L	96.3	Very high	95.7	Very high	27 Å²	27	67.8 Å²	67.8	14%	0.141	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	109.2	175	-55.1	-177.7	0	0	0	108.8	L390 E431 E437 P439 K449 C450 K452	L390-L433 HydrophobicContact CD1-CD1 3.87Å; E431-L433 HydrophobicContact CG-CD2 4.29Å; L433-E437 HydrophobicContact CD2-CB 4.44Å; L433-P439 HydrophobicContact CD1-CG 4.14Å; L433-K449 WeakPolarHBondContact O-CA 3.28Å; L433-C450 PolarHBondContact N-O 3.5Å; L433-C450 PolarHBondContact O-N 3.36Å; L433-K452 HydrophobicContact CD1-CB 4.13Å; L433-K452 HydrophobicContact CD1-CD 4.13Å; L433-K452 HydrophobicContact CG-CB 4.32Å
434	D	95.6	Very high	95.6	Very high	70 Å²	70	69.7 Å²	69.7	37%	0.374	37%	0.371	S	S	.	.			trans	-142.8	169.6	-174.4	-155.6	-2.1	0	0	0	110.6	V432 D436 E437 K449	V432-D434 HydrophobicContact CG1-CB 4.37Å; D434-D436 PolarHBondContact O-N 3.49Å; D434-E437 PolarHBondContact O-N 2.88Å; D434-E437 VanDerWaalsContact O-N 3.13Å; D434-K449 HydrophobicContact CB-CD 4.36Å; D434-K449 HydrophobicContact CB-CG 4.23Å; D434-K449 VanDerWaalsContact OD2-CD 3.3Å; D434-K449 WeakPolarHBondContact OD2-CD 3.37Å; D434-K449 WeakPolarHBondContact OD2-CE 3.09Å; D434-K449 IonicContact OD2-NZ 2.64Å; D434-K449 PolarHBondContact OD2-NZ 3.4Å
435	G	94.6	Very high	95.6	Very high	38 Å²	38	77.6 Å²	77.6	39%	0.392	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	55.6	-128.3	-175.7	0	0	0	0	0	112.3	E437 M438	G435-E437 PolarHBondContact O-N 3.41Å; G435-M438 WeakPolarHBondContact O-CB 3.5Å; G435-M438 VanDerWaalsContact O-CE 3.29Å; G435-M438 WeakPolarHBondContact O-CE 3.47Å; G435-M438 WeakPolarHBondContact O-CG 3.4Å; G435-M438 PolarHBondContact O-N 3.24Å
436	D	93.9	Very high	95.7	Very high	145 Å²	145	76.7 Å²	76.7	78%	0.775	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-67.7	-16	-179.3	-67	-51.4	0	0	0	114.4	D434 R447	D434-D436 PolarHBondContact O-N 3.49Å; D436-R447 PolarHBondContact O-NH2 2.91Å
437	E	94.4	Very high	95.7	Very high	137 Å²	137	79.4 Å²	79.4	64%	0.64	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-88	-4	175.4	-66	-58.8	121.3	0	0	113.5	L433 D434 G435 P439	L433-E437 HydrophobicContact CD2-CB 4.44Å; D434-E437 PolarHBondContact O-N 2.88Å; D434-E437 VanDerWaalsContact O-N 3.13Å; G435-E437 PolarHBondContact O-N 3.41Å; E437-P439 WeakPolarHBondContact O-CD 3.37Å; E437-P439 VanDerWaalsContact O-N 3.14Å
438	M	96.1	Very high	95.8	Very high	52 Å²	52	82.5 Å²	82.5	26%	0.256	42%	0.42	S	S	.	.			trans	-57.5	115.5	-178	-81.7	-168.6	-85.9	0	0	112.8	G435 R447	G435-M438 WeakPolarHBondContact O-CB 3.5Å; G435-M438 VanDerWaalsContact O-CE 3.29Å; G435-M438 WeakPolarHBondContact O-CE 3.47Å; G435-M438 WeakPolarHBondContact O-CG 3.4Å; G435-M438 PolarHBondContact O-N 3.24Å; M438-R447 HydrophobicContact CB-CB 4.26Å; M438-R447 VanDerWaalsContact O-CZ 3.27Å; M438-R447 PolarHBondContact O-NE 3.39Å; M438-R447 PolarHBondContact O-NH2 2.94Å
439	P	96	Very high	95.9	Very high	34 Å²	34	84.3 Å²	84.3	22%	0.221	43%	0.426	C	S	.	.			trans	-78.1	159.6	176.8	32.8	-36.2	0	0	0	112	L390 L433 E437 C441 R447 R448 C450	L390-P439 HydrophobicContact CD1-CG 4.24Å; L390-P439 HydrophobicContact CD2-CG 4.29Å; L433-P439 HydrophobicContact CD1-CG 4.14Å; E437-P439 WeakPolarHBondContact O-CD 3.37Å; E437-P439 VanDerWaalsContact O-N 3.14Å; P439-C441 PolarHBondContact O-N 2.75Å; P439-R447 WeakPolarHBondContact O-CA 3.49Å; P439-R448 WeakPolarHBondContact CD-O 3.07Å; P439-R448 PolarHBondContact O-N 3.29Å; P439-C450 HydrophobicContact CG-CB 3.8Å
440	T	96.6	Very high	96	Very high	97 Å²	97	77.5 Å²	77.5	60%	0.595	40%	0.401	S	S	*	.	B	Isolated β-bridge	trans	-76.1	113.9	173.5	-60	0	0	0	0	110.4	A442 T446	T440-A442 PolarHBondContact O-N 2.91Å; T440-T446 WeakPolarHBondContact CA-O 3.39Å
441	C	96.4	Very high	96.1	Very high	8 Å²	8	73.9 Å²	73.9	5%	0.054	39%	0.385	C	S	.	.			trans	-71.7	125.8	-179.2	173.3	0	0	0	0	111.6	C392 C395 P439 K443 C444 K445 T446 R448	C392-C441 HydrophobicContact CB-CB 4.3Å; C392-C441 VanDerWaalsContact SG-SG 3.62Å; C395-C441 VanDerWaalsContact SG-SG 3.63Å; P439-C441 PolarHBondContact O-N 2.75Å; C441-K443 VanDerWaalsContact C-N 3.25Å; C441-K443 PolarHBondContact O-N 3.03Å; C441-K443 VanDerWaalsContact O-N 3.16Å; C441-C444 HydrophobicContact CB-CB 4.01Å; C441-C444 PolarHBondContact O-N 3.31Å; C441-K445 PolarHBondContact O-N 2.79Å; C441-T446 PolarHBondContact N-O 3.38Å; C441-R448 HydrophobicContact CB-CB 4.13Å; C441-R448 HydrophobicContact CB-CG 4Å
442	A	92.4	Very high	96.2	Very high	65 Å²	65	72.9 Å²	72.9	54%	0.537	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.3	-177.4	0	0	0	0	0	114.9	T440 K445	T440-A442 PolarHBondContact O-N 2.91Å; A442-K445 WeakPolarHBondContact O-CD 3.44Å; A442-K445 VanDerWaalsContact O-CE 3.29Å; A442-K445 WeakPolarHBondContact O-CE 3.16Å; A442-K445 PolarHBondContact O-NZ 3.41Å
443	K	94.8	Very high	96.1	Very high	149 Å²	149	70.2 Å²	70.2	65%	0.648	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-43.9	172.8	-77.7	-169.4	-178.8	138.8	0	113.4	N397 C441 K445	N397-K443 HydrophobicContact CB-CB 4.29Å; N397-K443 HydrophobicContact CB-CD 4.04Å; N397-K443 HydrophobicContact CB-CG 4.26Å; N397-K443 WeakPolarHBondContact OD1-CD 3.24Å; N397-K443 WeakPolarHBondContact OD1-CE 3.41Å; N397-K443 WeakPolarHBondContact OD1-CG 3.44Å; N397-K443 PolarHBondContact OD1-NZ 3.25Å; C441-K443 VanDerWaalsContact C-N 3.25Å; C441-K443 PolarHBondContact O-N 3.03Å; C441-K443 VanDerWaalsContact O-N 3.16Å; K443-K445 VanDerWaalsContact C-N 3.3Å; K443-K445 PolarHBondContact O-N 2.96Å
444	C	95.9	Very high	96.1	Very high	39 Å²	39	71 Å²	71	26%	0.264	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-12.7	-179.3	-59.8	0	0	0	0	114.6	C395 C441 T446 R448	C395-C444 PolarHBondContact SG-SG 3.49Å; C441-C444 HydrophobicContact CB-CB 4.01Å; C441-C444 PolarHBondContact O-N 3.31Å; C444-T446 HydrophobicContact CB-CG2 4.16Å; C444-T446 PolarHBondContact O-N 3.44Å; C444-T446 VanDerWaalsContact O-N 3.07Å; C444-R448 HydrophobicContact CB-CG 4.1Å
445	K	97.1	Very high	96.1	Very high	168 Å²	168	69.5 Å²	69.5	73%	0.73	36%	0.361	S	S	*	.	S	Bend	trans	55.4	21.7	-177.3	-50.5	-56.6	-175.3	-170.2	0	114.9	C441 A442 K443	C441-K445 PolarHBondContact O-N 2.79Å; A442-K445 WeakPolarHBondContact O-CD 3.44Å; A442-K445 VanDerWaalsContact O-CE 3.29Å; A442-K445 WeakPolarHBondContact O-CE 3.16Å; A442-K445 PolarHBondContact O-NZ 3.41Å; K443-K445 VanDerWaalsContact C-N 3.3Å; K443-K445 PolarHBondContact O-N 2.96Å
446	T	97.4	Very high	96.2	Very high	60 Å²	60	67.9 Å²	67.9	37%	0.368	34%	0.343	S	S	.	.	S	Bend	trans	-146.6	166.1	179.7	-169.8	0	0	0	0	110.9	T440 C441 C444 R448	T440-T446 WeakPolarHBondContact CA-O 3.39Å; C441-T446 PolarHBondContact N-O 3.38Å; C444-T446 HydrophobicContact CB-CG2 4.16Å; C444-T446 PolarHBondContact O-N 3.44Å; C444-T446 VanDerWaalsContact O-N 3.07Å; T446-R448 HydrophobicContact CG2-CG 4.38Å; T446-R448 PolarHBondContact O-N 3.21Å
447	R	97.7	Very high	96.3	Very high	113 Å²	113	61.9 Å²	61.9	43%	0.426	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-61.2	131.5	175.3	-59.4	-167.7	74.2	-178.8	5.5	109.7	D436 M438 P439	D436-R447 PolarHBondContact O-NH2 2.91Å; M438-R447 HydrophobicContact CB-CB 4.26Å; M438-R447 VanDerWaalsContact O-CZ 3.27Å; M438-R447 PolarHBondContact O-NE 3.39Å; M438-R447 PolarHBondContact O-NH2 2.94Å; P439-R447 WeakPolarHBondContact O-CA 3.49Å
448	R	97.5	Very high	96.4	Very high	93 Å²	93	59.4 Å²	59.4	35%	0.351	30%	0.295	S	S	.	.			trans	-140.8	151.1	178.5	-69.2	-60	-173.1	-143.4	8.1	110.6	T394 P439 C441 C444 T446 C450	T394-R448 WeakPolarHBondContact OG1-CD 3.28Å; P439-R448 WeakPolarHBondContact CD-O 3.07Å; P439-R448 PolarHBondContact O-N 3.29Å; C441-R448 HydrophobicContact CB-CB 4.13Å; C441-R448 HydrophobicContact CB-CG 4Å; C444-R448 HydrophobicContact CB-CG 4.1Å; T446-R448 HydrophobicContact CG2-CG 4.38Å; T446-R448 PolarHBondContact O-N 3.21Å; R448-C450 PolarHBondContact O-N 2.94Å
449	K	97.9	Very high	96.4	Very high	83 Å²	83	58.7 Å²	58.7	36%	0.361	29%	0.291	S	S	.	.			trans	-59.3	127.9	164.2	-175	171.1	-171.5	152.6	0	108.9	T393 V432 L433 D434	T393-K449 HydrophobicContact CG2-CG 4.23Å; T393-K449 PolarHBondContact N-O 3.45Å; T393-K449 VanDerWaalsContact N-O 3.08Å; T393-K449 PolarHBondContact OG1-O 3.45Å; V432-K449 HydrophobicContact CG1-CD 4.42Å; V432-K449 HydrophobicContact CG1-CG 4.27Å; L433-K449 WeakPolarHBondContact O-CA 3.28Å; D434-K449 HydrophobicContact CB-CD 4.36Å; D434-K449 HydrophobicContact CB-CG 4.23Å; D434-K449 VanDerWaalsContact OD2-CD 3.3Å; D434-K449 WeakPolarHBondContact OD2-CD 3.37Å; D434-K449 WeakPolarHBondContact OD2-CE 3.09Å; D434-K449 IonicContact OD2-NZ 2.64Å; D434-K449 PolarHBondContact OD2-NZ 3.4Å
450	C	97.8	Very high	96.5	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.02	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	155	179.3	-73.6	0	0	0	0	109.8	L390 K391 L433 P439 R448	L390-C450 HydrophobicContact CD1-CB 3.72Å; L390-C450 HydrophobicContact CG-CB 4.39Å; K391-C450 CarbonylContact O-C 3.55Å; K391-C450 VanDerWaalsContact O-CA 3.23Å; K391-C450 WeakPolarHBondContact O-CA 3.45Å; K391-C450 WeakPolarHBondContact O-CB 3.24Å; L433-C450 PolarHBondContact N-O 3.5Å; L433-C450 PolarHBondContact O-N 3.36Å; P439-C450 HydrophobicContact CG-CB 3.8Å; R448-C450 PolarHBondContact O-N 2.94Å
451	T	97.7	Very high	96.5	Very high	16 Å²	16	57 Å²	57	10%	0.098	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	146.2	161.4	62.6	0	0	0	0	110.2	L390 K391 T393 E430 E431 V432	L390-T451 WeakPolarHBondContact CA-O 3.43Å; K391-T451 PolarHBondContact N-O 3.06Å; K391-T451 PolarHBondContact O-N 3.27Å; T393-T451 HydrophobicContact CG2-CG2 4.12Å; E430-T451 VanDerWaalsContact CG-CB 3.48Å; E430-T451 HydrophobicContact CG-CG2 4.05Å; E430-T451 WeakPolarHBondContact OE2-CB 3.5Å; E430-T451 PolarHBondContact OE2-OG1 2.87Å; E431-T451 CarbonylContact O-C 3.56Å; E431-T451 VanDerWaalsContact O-CA 3.32Å; E431-T451 WeakPolarHBondContact O-CA 3.35Å; V432-T451 HydrophobicContact CG2-CG2 4.39Å
452	K	96.7	Very high	96.6	Very high	50 Å²	50	56.7 Å²	56.7	22%	0.217	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	139.4	179.3	173.2	164.4	160.4	-95.2	0	109.7	T389 L390 E430 E431 L433 F454	T389-K452 CarbonylContact O-C 3.57Å; T389-K452 VanDerWaalsContact O-CA 3.24Å; T389-K452 WeakPolarHBondContact O-CA 3.45Å; L390-K452 HydrophobicContact CD1-CB 3.98Å; L390-K452 HydrophobicContact CD1-CD 4.48Å; E430-K452 CarbonylContact C-O 3.6Å; E430-K452 WeakPolarHBondContact CA-O 3.43Å; E431-K452 HydrophobicContact CG-CB 3.85Å; E431-K452 HydrophobicContact CG-CG 4.32Å; E431-K452 PolarHBondContact N-O 2.82Å; E431-K452 PolarHBondContact O-N 2.9Å; E431-K452 WeakPolarHBondContact OE1-CD 3.06Å; E431-K452 WeakPolarHBondContact OE1-CG 3.45Å; E431-K452 IonicContact OE1-NZ 2.66Å; E431-K452 PolarHBondContact OE1-NZ 3.3Å; L433-K452 HydrophobicContact CD1-CB 4.13Å; L433-K452 HydrophobicContact CD1-CD 4.13Å; L433-K452 HydrophobicContact CG-CB 4.32Å; K452-F454 VanDerWaalsContact CE-CZ 3.46Å
453	S	96.3	Very high	96.9	Very high	28 Å²	28	53.6 Å²	53.6	20%	0.196	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	159	177.7	61.3	0	0	0	0	111.7	T389	T389-S453 PolarHBondContact N-O 2.95Å; T389-S453 PolarHBondContact O-N 3.25Å
454	F	95.6	Very high	97.1	Very high	43 Å²	43	46.6 Å²	46.6	19%	0.189	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	144.3	179.3	-65.6	-74	0	0	0	110.9	L386 K387 F427 I428 K452	L386-F454 HydrophobicContact CD1-CD1 4.4Å; K387-F454 WeakPolarHBondContact O-CA 3.5Å; F427-F454 HydrophobicContact CE1-CB 4.24Å; I428-F454 WeakPolarHBondContact CA-O 3.45Å; I428-F454 VanDerWaalsContact CB-O 3.23Å; I428-F454 WeakPolarHBondContact CB-O 3.31Å; I428-F454 WeakPolarHBondContact CG2-O 3.48Å; K452-F454 VanDerWaalsContact CE-CZ 3.46Å
455	T	95.8	Very high	97.2	Very high	39 Å²	39	44.7 Å²	44.7	24%	0.239	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	157.7	164.9	44.1	0	0	0	0	108.8	K387	K387-T455 PolarHBondContact N-O 2.86Å; K387-T455 PolarHBondContact O-N 3.14Å
456	I	96.3	Very high	97.3	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.015	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	110.9	-179.1	-60.4	166.3	0	0	0	108.9	L386 F405 L408 R458 F459 M493 Y496 G497 A498	L386-I456 HydrophobicContact CD2-CG1 3.96Å; F405-I456 HydrophobicContact CE1-CG2 4.09Å; F405-I456 HydrophobicContact CZ-CG2 4.18Å; L408-I456 HydrophobicContact CD1-CD1 3.86Å; I456-R458 WeakPolarHBondContact CG2-O 3.37Å; I456-F459 HydrophobicContact CB-CD1 4.38Å; I456-F459 HydrophobicContact CB-CE1 3.78Å; I456-F459 HydrophobicContact CB-CE2 4.26Å; I456-F459 HydrophobicContact CB-CZ 3.72Å; I456-F459 HydrophobicContact CD1-CD1 4.25Å; I456-F459 HydrophobicContact CD1-CE1 3.51Å; I456-F459 HydrophobicContact CD1-CZ 4.13Å; I456-F459 HydrophobicContact CG1-CE1 4.24Å; I456-F459 HydrophobicContact CG2-CD1 3.59Å; I456-F459 HydrophobicContact CG2-CD2 4.01Å; I456-F459 HydrophobicContact CG2-CE1 3.51Å; I456-F459 HydrophobicContact CG2-CE2 3.95Å; I456-F459 HydrophobicContact CG2-CG 3.84Å; I456-F459 HydrophobicContact CG2-CZ 3.71Å; I456-M493 HydrophobicContact CD1-CE 3.65Å; I456-Y496 PolarHBondContact N-O 2.8Å; I456-G497 CarbonylContact O-C 3.46Å; I456-G497 WeakPolarHBondContact O-CA 3.33Å; I456-A498 PolarHBondContact O-N 3.4Å
457	Q	96.2	Very high	97.3	Very high	19 Å²	19	34.7 Å²	34.7	9%	0.089	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-38.2	178.7	-172.8	71.1	26.9	0	0	111.4	N360 A363 Q385 K387 F402 A498 N499	N360-Q457 PolarHBondContact OD1-NE2 3.33Å; A363-Q457 HydrophobicContact CB-CG 3.66Å; Q385-Q457 HydrophobicContact CB-CB 4.32Å; Q385-Q457 HydrophobicContact CG-CB 4.32Å; Q385-Q457 PolarHBondContact O-N 2.89Å; K387-Q457 HydrophobicContact CB-CB 4.27Å; F402-Q457 HydrophobicContact CD1-CB 4.28Å; F402-Q457 HydrophobicContact CD1-CG 4.06Å; F402-Q457 HydrophobicContact CE1-CB 4.39Å; F402-Q457 HydrophobicContact CE1-CG 3.98Å; Q457-A498 VanDerWaalsContact OE1-CB 3.23Å; Q457-N499 PolarHBondContact NE2-ND2 3.29Å
458	R	95.8	Very high	97.2	Very high	86 Å²	86	33.7 Å²	33.7	33%	0.325	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	129.9	177.5	-59.6	177.6	171.6	-89.6	-5.7	110	D364 W367 G384 Q385 I456	D364-R458 IonicContact OD1-CZ 2.68Å; D364-R458 IonicContact OD1-NH2 2.83Å; D364-R458 PolarHBondContact OD1-NH2 2.82Å; W367-R458 VanDerWaalsContact CD2-CD 3.47Å; G384-R458 CarbonylContact C-O 3.56Å; G384-R458 VanDerWaalsContact CA-O 3.26Å; G384-R458 WeakPolarHBondContact CA-O 3.42Å; Q385-R458 HydrophobicContact CB-CB 3.72Å; Q385-R458 HydrophobicContact CB-CG 3.98Å; Q385-R458 PolarHBondContact N-O 3.27Å; Q385-R458 PolarHBondContact O-N 2.83Å; Q385-R458 VanDerWaalsContact OE1-CD 3.23Å; I456-R458 WeakPolarHBondContact CG2-O 3.37Å
459	F	96.9	Very high	97.1	Very high	37 Å²	37	29.3 Å²	29.3	16%	0.162	14%	0.135	C	C	.	.			trans	-91.1	137.3	179.3	-71.7	-82.8	0	0	0	111	I456 M493 V504 Y506	I456-F459 HydrophobicContact CB-CD1 4.38Å; I456-F459 HydrophobicContact CB-CE1 3.78Å; I456-F459 HydrophobicContact CB-CE2 4.26Å; I456-F459 HydrophobicContact CB-CZ 3.72Å; I456-F459 HydrophobicContact CD1-CD1 4.25Å; I456-F459 HydrophobicContact CD1-CE1 3.51Å; I456-F459 HydrophobicContact CD1-CZ 4.13Å; I456-F459 HydrophobicContact CG1-CE1 4.24Å; I456-F459 HydrophobicContact CG2-CD1 3.59Å; I456-F459 HydrophobicContact CG2-CD2 4.01Å; I456-F459 HydrophobicContact CG2-CE1 3.51Å; I456-F459 HydrophobicContact CG2-CE2 3.95Å; I456-F459 HydrophobicContact CG2-CG 3.84Å; I456-F459 HydrophobicContact CG2-CZ 3.71Å; F459-M493 HydrophobicContact CD1-CB 4.27Å; F459-M493 HydrophobicContact CE1-CB 3.68Å; F459-M493 HydrophobicContact CE1-CE 4.11Å; F459-M493 HydrophobicContact CZ-CB 4.28Å; F459-M493 VanDerWaalsContact CZ-O 3.27Å; F459-M493 WeakPolarHBondContact CZ-O 3.37Å; F459-V504 HydrophobicContact CB-CG1 4.2Å; F459-V504 HydrophobicContact CD1-CG1 3.91Å; F459-V504 HydrophobicContact CD2-CG1 3.92Å; F459-V504 HydrophobicContact CD2-CG2 4.03Å; F459-V504 HydrophobicContact CE1-CG1 4.26Å; F459-V504 HydrophobicContact CE2-CG1 4.26Å; F459-V504 HydrophobicContact CE2-CG2 4.05Å; F459-V504 HydrophobicContact CG-CG1 3.74Å; F459-V504 HydrophobicContact CZ-CG1 4.42Å; F459-Y506 HydrophobicContact CD1-CE2 4.31Å
460	P	97.4	Very high	96.6	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.032	13%	0.128	C	C	.	.			trans	-71.8	171.6	174.9	33	-36.9	0	0	0	111.4	F382 F405 L463 Y506	F382-P460 WeakPolarHBondContact O-CB 3.47Å; F405-P460 HydrophobicContact CE2-CG 4.32Å; F405-P460 HydrophobicContact CZ-CG 4.41Å; P460-L463 HydrophobicContact CG-CB 4.09Å; P460-L463 HydrophobicContact CG-CD1 3.96Å; P460-Y506 PolarHBondContact O-OH 3.23Å
461	K	97.6	Very high	95.4	Very high	90 Å²	90	30.2 Å²	30.2	39%	0.391	15%	0.146	S	C	.	.	S	Bend	trans	-79.1	-41.4	172	-168.2	172.1	-173.4	-177.5	0	112	E263 L381 R564	E263-K461 VanDerWaalsContact OE1-CD 3.29Å; E263-K461 WeakPolarHBondContact OE1-CD 3.47Å; E263-K461 WeakPolarHBondContact OE1-CE 3.26Å; E263-K461 IonicContact OE1-NZ 3.14Å; E263-K461 PolarHBondContact OE1-NZ 3.46Å; E263-K461 IonicContact OE2-NZ 2.8Å; E263-K461 PolarHBondContact OE2-NZ 3Å; L381-K461 PolarHBondContact O-N 3.31Å; L381-K461 VanDerWaalsContact O-N 3.1Å; K461-R564 WeakPolarHBondContact O-CB 3.44Å; K461-R564 PolarHBondContact O-N 2.77Å
462	Y	98.4	Very high	93.7	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	116.6	171	-68.6	-83.6	0	0	0	109.1	T261 E263 L381 Y509 Y562 E563	T261-Y462 HydrophobicContact CG2-CD1 3.9Å; T261-Y462 HydrophobicContact CG2-CD2 3.86Å; T261-Y462 HydrophobicContact CG2-CE1 3.79Å; T261-Y462 HydrophobicContact CG2-CE2 3.74Å; T261-Y462 HydrophobicContact CG2-CG 3.92Å; E263-Y462 HydrophobicContact CB-CE2 4.29Å; E263-Y462 PolarHBondContact N-OH 3Å; E263-Y462 WeakPolarHBondContact OE1-CE2 3.23Å; E263-Y462 PolarHBondContact OE1-OH 3.31Å; L381-Y462 HydrophobicContact CB-CD2 3.91Å; L381-Y462 HydrophobicContact CD1-CD2 4.34Å; L381-Y462 HydrophobicContact CD1-CE2 4.22Å; L381-Y462 HydrophobicContact CD2-CD2 4.08Å; L381-Y462 HydrophobicContact CD2-CE2 3.92Å; L381-Y462 HydrophobicContact CG-CD2 4.3Å; L381-Y462 HydrophobicContact CG-CE2 4.42Å; L381-Y462 PolarHBondContact O-N 3.26Å; Y462-Y509 AromaticContact CD1-CE1 3.62Å; Y462-Y509 HydrophobicContact CD1-CE1 3.62Å; Y462-Y509 AromaticContact CD1-CZ 3.86Å; Y462-Y509 HydrophobicContact CE1-CE1 4.07Å; Y462-Y562 CarbonylContact C-O 3.58Å; Y462-Y562 VanDerWaalsContact CA-O 3.23Å; Y462-Y562 WeakPolarHBondContact CA-O 3.17Å; Y462-E563 HydrophobicContact CD1-CB 3.9Å; Y462-E563 HydrophobicContact CD1-CG 4.11Å; Y462-E563 HydrophobicContact CE1-CB 3.66Å; Y462-E563 HydrophobicContact CE1-CG 3.48Å; Y462-E563 VanDerWaalsContact CE1-CG 3.48Å; Y462-E563 VanDerWaalsContact CE1-OE1 3.25Å; Y462-E563 WeakPolarHBondContact CE1-OE1 3.44Å; Y462-E563 PolarHBondContact OH-OE1 2.69Å
463	L	98.5	Very high	92	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	117	-178.4	176.6	62	0	0	0	109.8	F405 L408 P460 I465 M493 Y506 Y562	F405-L463 HydrophobicContact CE2-CD1 4.03Å; L408-L463 HydrophobicContact CD1-CD1 3.94Å; L408-L463 HydrophobicContact CG-CD1 4.1Å; P460-L463 HydrophobicContact CG-CB 4.09Å; P460-L463 HydrophobicContact CG-CD1 3.96Å; L463-I465 HydrophobicContact CD1-CG1 4.5Å; L463-I465 HydrophobicContact CD2-CD1 4.13Å; L463-I465 HydrophobicContact CD2-CG1 4.32Å; L463-I465 HydrophobicContact CG-CD1 4.37Å; L463-I465 HydrophobicContact CG-CG1 4.04Å; L463-M493 HydrophobicContact CD2-CE 3.92Å; L463-M493 HydrophobicContact CD2-CG 3.96Å; L463-M493 HydrophobicContact CD2-SD 4.07Å; L463-Y506 HydrophobicContact CB-CD1 3.97Å; L463-Y506 HydrophobicContact CB-CE1 3.47Å; L463-Y506 VanDerWaalsContact CB-CE1 3.47Å; L463-Y506 HydrophobicContact CB-CE2 4.41Å; L463-Y506 HydrophobicContact CD2-CD2 4.16Å; L463-Y506 HydrophobicContact CD2-CE1 4.38Å; L463-Y506 HydrophobicContact CD2-CE2 3.86Å; L463-Y562 PolarHBondContact N-O 2.9Å; L463-Y562 PolarHBondContact O-N 3.02Å
464	V	98.8	Very high	90.3	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.8	171.8	-175.8	0	0	0	0	109.1	L331 F382 D407 L408 I559 L560 F561	L331-V464 HydrophobicContact CD2-CG1 3.88Å; F382-V464 HydrophobicContact CD1-CG2 4.02Å; F382-V464 HydrophobicContact CE1-CG2 4.25Å; D407-V464 CarbonylContact C-O 3.59Å; D407-V464 WeakPolarHBondContact CA-O 3.4Å; D407-V464 HydrophobicContact CB-CB 3.92Å; D407-V464 HydrophobicContact CB-CG1 3.92Å; L408-V464 PolarHBondContact N-O 3.37Å; V464-I559 HydrophobicContact CG1-CG2 3.44Å; V464-I559 VanDerWaalsContact CG1-CG2 3.44Å; V464-L560 WeakPolarHBondContact CA-O 3.41Å; V464-F561 HydrophobicContact CG1-CE1 4.34Å; V464-F561 HydrophobicContact CG2-CD1 3.82Å; V464-F561 HydrophobicContact CG2-CE1 3.95Å
465	I	98.8	Very high	89.1	Confident	0 Å²	0	55 Å²	55	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	118.4	174.6	-55.6	175.2	0	0	0	108.9	L408 V410 L420 L463 L491 I559 L560 Y562	L408-I465 WeakPolarHBondContact O-CA 3.29Å; V410-I465 HydrophobicContact CG1-CG2 4.06Å; V410-I465 HydrophobicContact CG2-CG2 3.77Å; L420-I465 HydrophobicContact CD1-CG2 4.21Å; L420-I465 HydrophobicContact CD2-CD1 4.15Å; L463-I465 HydrophobicContact CD1-CG1 4.5Å; L463-I465 HydrophobicContact CD2-CD1 4.13Å; L463-I465 HydrophobicContact CD2-CG1 4.32Å; L463-I465 HydrophobicContact CG-CD1 4.37Å; L463-I465 HydrophobicContact CG-CG1 4.04Å; I465-L491 HydrophobicContact CD1-CD2 3.87Å; I465-I559 WeakPolarHBondContact O-CA 3.38Å; I465-L560 HydrophobicContact CB-CB 4.44Å; I465-L560 PolarHBondContact N-O 3.05Å; I465-L560 PolarHBondContact O-N 2.67Å; I465-Y562 HydrophobicContact CD1-CD2 4.17Å; I465-Y562 HydrophobicContact CD1-CE2 3.99Å
466	H	98.6	Very high	88.3	Confident	17 Å²	17	56.8 Å²	56.8	8%	0.079	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.7	174.6	156.4	-139.7	0	0	0	109.6	Q328 L408 S409 V410 K468 Y558	Q328-H466 HydrophobicContact CG-CB 3.88Å; Q328-H466 PolarHBondContact NE2-ND1 2.99Å; L408-H466 PolarHBondContact O-N 3.16Å; S409-H466 CarbonylContact C-O 3.55Å; S409-H466 WeakPolarHBondContact CA-O 3.48Å; S409-H466 WeakPolarHBondContact CB-ND1 3.43Å; S409-H466 PolarHBondContact OG-ND1 3.41Å; V410-H466 PolarHBondContact N-O 3.46Å; H466-K468 PolarHBondContact O-N 3.46Å; H466-Y558 AromaticContact CD2-CE2 3.38Å; H466-Y558 WeakPolarHBondContact CD2-CE2 3.4Å; H466-Y558 AromaticContact CD2-CZ 3.54Å; H466-Y558 PolarHBondContact CD2-OH 2.74Å; H466-Y558 AromaticContact NE2-CE2 3.31Å; H466-Y558 VanDerWaalsContact NE2-CE2 3.31Å; H466-Y558 WeakPolarHBondContact NE2-CE2 3.27Å; H466-Y558 AromaticContact NE2-CZ 3.42Å; H466-Y558 PolarHBondContact NE2-OH 3.29Å
467	L	98.1	Very high	88	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	110.3	173.9	-61.7	176.9	0	0	0	108.8	V410 L412 L420 R469 V482 A557 Y558	V410-L467 HydrophobicContact CG2-CD2 3.7Å; L412-L467 HydrophobicContact CD1-CB 4.13Å; L412-L467 HydrophobicContact CD2-CB 4.44Å; L420-L467 HydrophobicContact CD1-CD2 4.05Å; L467-R469 HydrophobicContact CB-CG 4.3Å; L467-R469 PolarHBondContact O-N 2.94Å; L467-V482 HydrophobicContact CD1-CB 4.05Å; L467-V482 HydrophobicContact CD1-CG1 4.4Å; L467-V482 HydrophobicContact CD1-CG2 3.93Å; L467-V482 HydrophobicContact CD2-CG1 4.3Å; L467-V482 HydrophobicContact CD2-CG2 4.31Å; L467-A557 WeakPolarHBondContact CD1-O 3.38Å; L467-Y558 PolarHBondContact N-O 2.84Å; L467-Y558 WeakPolarHBondContact O-CD2 3.36Å; L467-Y558 VanDerWaalsContact O-CE2 3.28Å; L467-Y558 WeakPolarHBondContact O-CE2 3.16Å
468	K	95.8	Very high	87.7	Confident	92 Å²	92	59.2 Å²	59.2	40%	0.4	28%	0.277	S	S	.	.			trans	-64.3	68.5	178.9	-73.5	171.8	159.1	147.4	0	113.4	S409 V410 L412 H466 F470	S409-K468 WeakPolarHBondContact O-CD 3.47Å; S409-K468 WeakPolarHBondContact O-CE 3.4Å; S409-K468 PolarHBondContact O-NZ 1.72Å; V410-K468 VanDerWaalsContact O-CB 3.27Å; V410-K468 WeakPolarHBondContact O-CB 3.12Å; V410-K468 WeakPolarHBondContact O-CG 3.49Å; V410-K468 PolarHBondContact O-N 3.31Å; L412-K468 HydrophobicContact CD1-CB 4.27Å; L412-K468 VanDerWaalsContact CD1-N 3.31Å; L412-K468 WeakPolarHBondContact CD1-O 3.46Å; H466-K468 PolarHBondContact O-N 3.46Å; K468-F470 VanDerWaalsContact C-N 3.31Å
469	R	94.4	Very high	87.5	Confident	1 Å²	1	59.5 Å²	59.5	0%	0.004	29%	0.292	C	S	.	.			trans	-78	-14.7	179.8	-67.4	-173.1	179.1	-73.7	1.8	113.6	L412 L467 K477 L478 N480 A557 Y558	L412-R469 HydrophobicContact CD2-CG 4.26Å; L467-R469 HydrophobicContact CB-CG 4.3Å; L467-R469 PolarHBondContact O-N 2.94Å; R469-K477 HydrophobicContact CB-CG 4.08Å; R469-K477 CarbonylContact O-C 3.53Å; R469-K477 WeakPolarHBondContact O-CA 3.38Å; R469-L478 HydrophobicContact CB-CB 4.37Å; R469-L478 WeakPolarHBondContact CD-O 3.4Å; R469-L478 WeakPolarHBondContact CG-O 3.33Å; R469-L478 PolarHBondContact NH1-O 2.87Å; R469-L478 PolarHBondContact O-N 3.11Å; R469-N480 PolarHBondContact NH1-O 3.37Å; R469-N480 PolarHBondContact NH1-OD1 3.48Å; R469-N480 PolarHBondContact NH2-O 3.44Å; R469-N480 VanDerWaalsContact NH2-O 3.07Å; R469-A557 PolarHBondContact NE-O 3.26Å; R469-A557 PolarHBondContact NH2-O 3.37Å; R469-Y558 HydrophobicContact CB-CD2 4.33Å; R469-Y558 HydrophobicContact CB-CE2 4.48Å; R469-Y558 HydrophobicContact CG-CD2 4.34Å
470	F	86.6	Confident	87.4	Confident	50 Å²	50	58.4 Å²	58.4	22%	0.219	29%	0.287	C	S	.	.			trans	-107.4	149.2	175.1	-51.7	-59.6	0	0	0	110.2	D326 K468 K477 H514 T518 Y558	D326-F470 WeakPolarHBondContact OD2-CD2 3.42Å; D326-F470 VanDerWaalsContact OD2-CE2 3.24Å; D326-F470 WeakPolarHBondContact OD2-CE2 3.46Å; K468-F470 VanDerWaalsContact C-N 3.31Å; F470-K477 HydrophobicContact CD1-CB 4.19Å; F470-K477 HydrophobicContact CD1-CG 4.12Å; F470-K477 HydrophobicContact CE1-CB 4.13Å; F470-K477 HydrophobicContact CE1-CD 3.98Å; F470-K477 HydrophobicContact CE1-CG 3.88Å; F470-H514 AromaticContact CZ-CE1 3.56Å; F470-H514 AromaticContact CZ-ND1 3.36Å; F470-H514 WeakPolarHBondContact CZ-ND1 3.12Å; F470-T518 HydrophobicContact CD1-CG2 3.73Å; F470-T518 HydrophobicContact CE1-CG2 4.23Å; F470-Y558 HydrophobicContact CD2-CE2 4.07Å; F470-Y558 HydrophobicContact CE2-CE1 4.33Å; F470-Y558 AromaticContact CE2-CE2 3.96Å; F470-Y558 HydrophobicContact CE2-CE2 3.96Å; F470-Y558 AromaticContact CE2-CZ 3.78Å
471	S	73.5	Confident	87.4	Confident	55 Å²	55	60.4 Å²	60.4	39%	0.385	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-151.9	136.2	174.2	178.7	0	0	0	0	109.4	T473 R474	S471-T473 PolarHBondContact O-N 3.35Å; S471-T473 VanDerWaalsContact O-N 3.1Å; S471-T473 PolarHBondContact OG-N 3.04Å; S471-T473 PolarHBondContact OG-OG1 3.43Å; S471-R474 CarbonylContact O-C 3.39Å; S471-R474 PolarHBondContact O-N 3.21Å
472	E	60.8	Low	87.4	Confident	170 Å²	170	56.1 Å²	56.1	79%	0.794	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-27.1	175.4	-58.2	177.9	167.1	0	0	112.5	T11 R474	T11-E472 VanDerWaalsContact CG2-OE1 3.26Å; T11-E472 WeakPolarHBondContact CG2-OE1 3.25Å; E472-R474 VanDerWaalsContact C-N 3.33Å
473	T	62	Low	87.3	Confident	113 Å²	113	59.1 Å²	59.1	69%	0.693	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-11.6	176.9	67.1	0	0	0	0	114.1	S471	S471-T473 PolarHBondContact O-N 3.35Å; S471-T473 VanDerWaalsContact O-N 3.1Å; S471-T473 PolarHBondContact OG-N 3.04Å; S471-T473 PolarHBondContact OG-OG1 3.43Å
474	R	61.7	Low	87.2	Confident	129 Å²	129	59.6 Å²	59.6	49%	0.487	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-127.9	113.5	-173.5	-61.5	-170.3	-174.2	-164.5	2.7	111.3	S471 E472 S476	S471-R474 CarbonylContact O-C 3.39Å; S471-R474 PolarHBondContact O-N 3.21Å; E472-R474 VanDerWaalsContact C-N 3.33Å; R474-S476 PolarHBondContact O-N 2.64Å
475	W	68.6	Low	87	Confident	246 Å²	246	60.2 Å²	60.2	93%	0.932	30%	0.299	S	S	*	.	S	Bend	trans	-61	-8.2	172.6	-58	79.8	0	0	0	113.8	T518	W475-T518 PolarHBondContact O-OG1 2.76Å
476	S	79.6	Confident	86.6	Confident	77 Å²	77	61.9 Å²	61.9	54%	0.538	31%	0.309	S	S	.	.	S	Bend	trans	-125.8	144.4	-178.5	57.2	0	0	0	0	113.2	R474	R474-S476 PolarHBondContact O-N 2.64Å
477	K	89.8	Confident	85.7	Confident	32 Å²	32	63.8 Å²	63.8	14%	0.139	32%	0.324	C	S	.	.			trans	-73.5	139.4	176	177.5	-171.8	173.5	-178.7	0	111.3	R469 F470 S479 H514 G516 T518	R469-K477 HydrophobicContact CB-CG 4.08Å; R469-K477 CarbonylContact O-C 3.53Å; R469-K477 WeakPolarHBondContact O-CA 3.38Å; F470-K477 HydrophobicContact CD1-CB 4.19Å; F470-K477 HydrophobicContact CD1-CG 4.12Å; F470-K477 HydrophobicContact CE1-CB 4.13Å; F470-K477 HydrophobicContact CE1-CD 3.98Å; F470-K477 HydrophobicContact CE1-CG 3.88Å; K477-S479 PolarHBondContact O-N 2.84Å; K477-H514 PolarHBondContact NZ-ND1 3.47Å; K477-H514 PolarHBondContact NZ-O 2.92Å; K477-G516 WeakPolarHBondContact CD-O 3.48Å; K477-G516 PolarHBondContact NZ-O 3.44Å; K477-T518 HydrophobicContact CB-CG2 4.48Å
478	L	90.4	Very high	84.7	Confident	41 Å²	41	71.5 Å²	71.5	22%	0.215	37%	0.365	C	S	.	.			trans	-72.5	115.5	172.1	-52.1	-176.9	0	0	0	110.5	L412 R469	L412-L478 HydrophobicContact CB-CD1 4.27Å; R469-L478 HydrophobicContact CB-CB 4.37Å; R469-L478 WeakPolarHBondContact CD-O 3.4Å; R469-L478 WeakPolarHBondContact CG-O 3.33Å; R469-L478 PolarHBondContact NH1-O 2.87Å; R469-L478 PolarHBondContact O-N 3.11Å
479	S	92.2	Very high	84.3	Confident	91 Å²	91	70.6 Å²	70.6	64%	0.636	37%	0.371	S	S	*	.			trans	-102.4	15.3	-177.5	55.2	0	0	0	0	114	K477 S555	K477-S479 PolarHBondContact O-N 2.84Å; S479-S555 WeakPolarHBondContact O-CB 3.35Å
480	N	94.1	Very high	84.2	Confident	14 Å²	14	74.1 Å²	74.1	8%	0.075	39%	0.388	C	S	.	.			trans	-67.1	144.2	177.5	57.8	-21.9	0	0	0	112.3	L412 P413 S415 S416 R469 V482	L412-N480 WeakPolarHBondContact CD2-OD1 3.19Å; P413-N480 PolarHBondContact O-ND2 2.96Å; S415-N480 VanDerWaalsContact O-CB 3.23Å; S415-N480 WeakPolarHBondContact O-CB 3.46Å; S415-N480 PolarHBondContact O-ND2 3.22Å; S415-N480 VanDerWaalsContact O-ND2 3.14Å; S416-N480 CarbonylContact O-C 3.54Å; S416-N480 VanDerWaalsContact O-CA 3.22Å; S416-N480 WeakPolarHBondContact O-CA 3.27Å; S416-N480 VanDerWaalsContact O-CB 3.28Å; S416-N480 WeakPolarHBondContact O-CB 3.47Å; R469-N480 PolarHBondContact NH1-O 3.37Å; R469-N480 PolarHBondContact NH1-OD1 3.48Å; R469-N480 PolarHBondContact NH2-O 3.44Å; R469-N480 VanDerWaalsContact NH2-O 3.07Å; N480-V482 PolarHBondContact O-N 3.2Å
481	I	97.1	Very high	84.6	Confident	48 Å²	48	71.8 Å²	71.8	25%	0.246	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	120	179.5	-58.8	171.1	0	0	0	108.2	S416 R417 C418 V553	S416-I481 PolarHBondContact O-N 2.91Å; R417-I481 VanDerWaalsContact CA-O 3.3Å; R417-I481 WeakPolarHBondContact CA-O 3.36Å; R417-I481 HydrophobicContact CG-CB 4.18Å; R417-I481 HydrophobicContact CG-CG2 4.48Å; C418-I481 PolarHBondContact N-O 2.87Å; I481-V553 HydrophobicContact CG2-CG1 3.89Å
482	V	97.8	Very high	85.6	Confident	0 Å²	0	72 Å²	72	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	113	171.6	-177	0	0	0	0	107	L412 C418 L420 L467 N480 F484	L412-V482 HydrophobicContact CD2-CG2 3.73Å; L412-V482 HydrophobicContact CG-CG2 4.47Å; C418-V482 CarbonylContact O-C 3.55Å; C418-V482 WeakPolarHBondContact O-CA 3.24Å; L420-V482 HydrophobicContact CB-CG1 4.08Å; L420-V482 HydrophobicContact CD1-CG1 4.21Å; L467-V482 HydrophobicContact CD1-CB 4.05Å; L467-V482 HydrophobicContact CD1-CG1 4.4Å; L467-V482 HydrophobicContact CD1-CG2 3.93Å; L467-V482 HydrophobicContact CD2-CG1 4.3Å; L467-V482 HydrophobicContact CD2-CG2 4.31Å; N480-V482 PolarHBondContact O-N 3.2Å; V482-F484 WeakPolarHBondContact O-CD1 3.36Å; V482-F484 WeakPolarHBondContact O-CE1 3.45Å
483	E	97	Very high	87.2	Confident	63 Å²	63	63.9 Å²	63.9	29%	0.294	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	133.4	169.3	-57.2	-177.5	149.1	0	0	109	R417 C418 K419 L420 V553	R417-E483 HydrophobicContact CG-CG 4.39Å; R417-E483 IonicContact CZ-OE1 3.88Å; R417-E483 IonicContact NE-OE1 3.81Å; R417-E483 PolarHBondContact NE-OE1 2.74Å; R417-E483 IonicContact NH2-OE1 1.72Å; R417-E483 PolarHBondContact NH2-OE1 2.86Å; C418-E483 PolarHBondContact O-N 2.8Å; K419-E483 CarbonylContact C-O 3.54Å; K419-E483 WeakPolarHBondContact CA-O 3.23Å; K419-E483 HydrophobicContact CG-CB 4.37Å; L420-E483 WeakPolarHBondContact CB-O 3.46Å; L420-E483 PolarHBondContact N-O 3.34Å; E483-V553 HydrophobicContact CG-CG1 4.48Å
484	F	96.8	Very high	88.7	Confident	12 Å²	12	58.8 Å²	58.8	5%	0.053	31%	0.306	C	S	.	.			trans	-138.3	156.2	176.7	44.1	-100.3	0	0	0	109.8	L420 V482 T486 L508 I511 L552 V553 A557 L560	L420-F484 HydrophobicContact CB-CB 4.05Å; L420-F484 HydrophobicContact CD2-CB 3.87Å; V482-F484 WeakPolarHBondContact O-CD1 3.36Å; V482-F484 WeakPolarHBondContact O-CE1 3.45Å; F484-T486 HydrophobicContact CD2-CG2 3.95Å; F484-T486 HydrophobicContact CE2-CG2 3.97Å; F484-L508 HydrophobicContact CD2-CD2 3.73Å; F484-L508 HydrophobicContact CE2-CD2 3.57Å; F484-I511 HydrophobicContact CE2-CD1 3.92Å; F484-I511 HydrophobicContact CZ-CD1 3.88Å; F484-L552 HydrophobicContact CE2-CB 4.42Å; F484-V553 HydrophobicContact CD2-CG2 4.14Å; F484-V553 HydrophobicContact CE1-CG2 4.39Å; F484-V553 HydrophobicContact CE2-CG2 3.88Å; F484-V553 HydrophobicContact CZ-CB 4.48Å; F484-V553 HydrophobicContact CZ-CG2 4.01Å; F484-A557 HydrophobicContact CE1-CB 3.82Å; F484-A557 HydrophobicContact CZ-CB 4.2Å; F484-L560 HydrophobicContact CB-CD1 4.21Å; F484-L560 HydrophobicContact CD1-CD1 3.82Å; F484-L560 HydrophobicContact CD1-CD2 4.04Å; F484-L560 HydrophobicContact CE1-CD1 4.39Å; F484-L560 HydrophobicContact CE1-CD2 3.79Å; F484-L560 HydrophobicContact CE2-CD2 4.3Å; F484-L560 HydrophobicContact CG-CD1 4.02Å; F484-L560 HydrophobicContact CG-CD2 4.42Å; F484-L560 HydrophobicContact CZ-CD2 3.92Å
485	P	93.9	Very high	90.2	Very high	14 Å²	14	56.8 Å²	56.8	9%	0.091	31%	0.312	C	S	.	.			trans	-58.7	137.4	177.9	-26.4	36.6	0	0	0	112.8	S489 L491	P485-S489 WeakPolarHBondContact CB-O 3.39Å; P485-L491 HydrophobicContact CG-CB 4.06Å; P485-L491 HydrophobicContact CG-CD1 4.19Å
486	T	89.3	Confident	91.4	Very high	35 Å²	35	45.6 Å²	45.6	22%	0.215	27%	0.27	C	S	.	.			trans	-140.5	172.8	179.7	56.8	0	0	0	0	110.5	F484 D488 S489 L508 L552 V553	F484-T486 HydrophobicContact CD2-CG2 3.95Å; F484-T486 HydrophobicContact CE2-CG2 3.97Å; T486-D488 PolarHBondContact O-N 2.7Å; T486-S489 VanDerWaalsContact O-CB 3.28Å; T486-S489 WeakPolarHBondContact O-CB 3.3Å; T486-S489 PolarHBondContact O-N 3.02Å; T486-L508 HydrophobicContact CG2-CD2 4.44Å; T486-L552 HydrophobicContact CG2-CB 4.28Å; T486-L552 HydrophobicContact CG2-CD1 3.98Å; T486-V553 HydrophobicContact CG2-CG2 4.17Å
487	S	80.8	Confident	92.1	Very high	56 Å²	56	42.8 Å²	42.8	39%	0.392	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	-124.6	-176	-54.1	0	0	0	0	111.5	S489 E549	S487-S489 VanDerWaalsContact C-N 3.33Å; S487-E549 VanDerWaalsContact CA-OE2 3.28Å; S487-E549 WeakPolarHBondContact CA-OE2 3.21Å; S487-E549 PolarHBondContact N-OE2 2.77Å; S487-E549 PolarHBondContact OG-OE2 3Å
488	D	77.7	Confident	92	Very high	162 Å²	162	42.8 Å²	42.8	87%	0.866	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	6.8	177.7	-47.5	-60.1	0	0	0	112.5	T486	T486-D488 PolarHBondContact O-N 2.7Å
489	S	87.1	Confident	91.5	Very high	74 Å²	74	44.3 Å²	44.3	52%	0.517	27%	0.267	S	S	.	.			trans	-86.7	119.2	173.2	-170.2	0	0	0	0	110.2	P485 T486 S487	P485-S489 WeakPolarHBondContact CB-O 3.39Å; T486-S489 VanDerWaalsContact O-CB 3.28Å; T486-S489 WeakPolarHBondContact O-CB 3.3Å; T486-S489 PolarHBondContact O-N 3.02Å; S487-S489 VanDerWaalsContact C-N 3.33Å
490	E	92.4	Very high	90.1	Very high	75 Å²	75	46.5 Å²	46.5	35%	0.35	28%	0.282	S	S	.	.			trans	-91.2	153.5	179.2	-56	-175	120.6	0	0	112.1	N492 H505 Y506 T565	E490-N492 PolarHBondContact O-N 3.37Å; E490-H505 HydrophobicContact CB-CB 4.14Å; E490-H505 WeakPolarHBondContact OE2-CB 3.43Å; E490-H505 IonicContact OE2-CD2 2.73Å; E490-H505 IonicContact OE2-CG 3.2Å; E490-Y506 WeakPolarHBondContact CA-O 3.49Å; E490-T565 WeakPolarHBondContact OE1-CB 3.48Å; E490-T565 VanDerWaalsContact OE1-CG2 3.28Å; E490-T565 WeakPolarHBondContact OE1-CG2 3.4Å; E490-T565 PolarHBondContact OE1-OG1 2.74Å
491	L	94.9	Very high	88.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	30%	0.3	C	S	.	.			trans	-84.3	105.4	168.6	177.7	65.6	0	0	0	109.4	L420 L424 I465 P485 M493 Y506 Y562	L420-L491 HydrophobicContact CD2-CD1 4.18Å; L420-L491 HydrophobicContact CD2-CD2 3.85Å; L424-L491 HydrophobicContact CD1-CD1 4.29Å; I465-L491 HydrophobicContact CD1-CD2 3.87Å; P485-L491 HydrophobicContact CG-CB 4.06Å; P485-L491 HydrophobicContact CG-CD1 4.19Å; L491-M493 HydrophobicContact CD1-SD 4.45Å; L491-M493 HydrophobicContact CD2-CG 4.19Å; L491-M493 HydrophobicContact CD2-SD 3.79Å; L491-M493 HydrophobicContact CG-CG 4.06Å; L491-M493 HydrophobicContact CG-SD 3.94Å; L491-M493 PolarHBondContact O-N 2.99Å; L491-Y506 PolarHBondContact N-O 3.05Å; L491-Y506 PolarHBondContact O-N 2.74Å; L491-Y562 HydrophobicContact CB-CD1 4.28Å; L491-Y562 HydrophobicContact CB-CE1 3.79Å; L491-Y562 HydrophobicContact CD2-CD1 4.35Å; L491-Y562 HydrophobicContact CD2-CD2 4.31Å; L491-Y562 HydrophobicContact CD2-CE1 3.95Å; L491-Y562 HydrophobicContact CD2-CE2 3.9Å
492	N	94.4	Very high	87.3	Confident	59 Å²	59	52 Å²	52	32%	0.316	32%	0.319	S	S	.	.			trans	-75	116.9	170.8	-172.4	-44.2	0	0	0	109.5	E490 G494 S502 H505	E490-N492 PolarHBondContact O-N 3.37Å; N492-G494 PolarHBondContact OD1-N 2.88Å; N492-S502 PolarHBondContact ND2-O 2.75Å; N492-H505 PolarHBondContact ND2-CE1 3.26Å; N492-H505 PolarHBondContact ND2-NE2 3.2Å
493	M	94.9	Very high	86.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	35%	0.346	C	S	.	.			trans	-103.2	-3.1	179.2	-72.4	-65.7	-60.1	0	0	113.6	L408 L424 I456 F459 L463 L491 S495 Y496 V504 Y506	L408-M493 HydrophobicContact CD1-CE 4.26Å; L424-M493 HydrophobicContact CD1-CE 4.38Å; L424-M493 HydrophobicContact CD1-SD 3.68Å; L424-M493 HydrophobicContact CD2-CE 4.07Å; L424-M493 HydrophobicContact CD2-SD 4.39Å; I456-M493 HydrophobicContact CD1-CE 3.65Å; F459-M493 HydrophobicContact CD1-CB 4.27Å; F459-M493 HydrophobicContact CE1-CB 3.68Å; F459-M493 HydrophobicContact CE1-CE 4.11Å; F459-M493 HydrophobicContact CZ-CB 4.28Å; F459-M493 VanDerWaalsContact CZ-O 3.27Å; F459-M493 WeakPolarHBondContact CZ-O 3.37Å; L463-M493 HydrophobicContact CD2-CE 3.92Å; L463-M493 HydrophobicContact CD2-CG 3.96Å; L463-M493 HydrophobicContact CD2-SD 4.07Å; L491-M493 HydrophobicContact CD1-SD 4.45Å; L491-M493 HydrophobicContact CD2-CG 4.19Å; L491-M493 HydrophobicContact CD2-SD 3.79Å; L491-M493 HydrophobicContact CG-CG 4.06Å; L491-M493 HydrophobicContact CG-SD 3.94Å; L491-M493 PolarHBondContact O-N 2.99Å; M493-S495 VanDerWaalsContact C-N 3.3Å; M493-S495 PolarHBondContact O-N 2.98Å; M493-Y496 HydrophobicContact CE-CD2 4.01Å; M493-Y496 HydrophobicContact CE-CG 4.46Å; M493-Y496 PolarHBondContact O-N 3.13Å; M493-Y496 HydrophobicContact SD-CD2 4.02Å; M493-Y496 HydrophobicContact SD-CE2 4.47Å; M493-V504 HydrophobicContact CB-CB 4.46Å; M493-V504 HydrophobicContact CB-CG1 4.07Å; M493-V504 PolarHBondContact N-O 3.01Å; M493-Y506 HydrophobicContact CB-CD2 3.99Å; M493-Y506 HydrophobicContact CB-CE2 3.95Å; M493-Y506 HydrophobicContact CG-CD2 3.48Å; M493-Y506 VanDerWaalsContact CG-CD2 3.48Å; M493-Y506 HydrophobicContact CG-CE2 3.72Å
494	G	93.3	Very high	86.5	Confident	7 Å²	7	54 Å²	54	7%	0.072	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-63.1	-31.6	-172.7	0	0	0	0	0	114	N492 Y496 G497 N501	N492-G494 PolarHBondContact OD1-N 2.88Å; G494-Y496 PolarHBondContact O-N 3.13Å; G494-G497 PolarHBondContact O-N 3.35Å; G494-G497 VanDerWaalsContact O-N 3.1Å; G494-N501 WeakPolarHBondContact CA-O 3.35Å
495	S	92.3	Very high	86.4	Confident	86 Å²	86	55.5 Å²	55.5	60%	0.601	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-61.9	-23.8	173.4	48.9	0	0	0	0	114.1	M493	M493-S495 VanDerWaalsContact C-N 3.3Å; M493-S495 PolarHBondContact O-N 2.98Å
496	Y	94.3	Very high	86.6	Confident	12 Å²	12	54.9 Å²	54.9	5%	0.047	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-92.2	-0	178.1	-54.4	-70.4	0	0	0	112.7	E421 L424 D425 I428 I456 M493 G494	E421-Y496 PolarHBondContact O-OH 2.76Å; L424-Y496 HydrophobicContact CB-CD1 4.18Å; L424-Y496 HydrophobicContact CB-CD2 4.39Å; L424-Y496 HydrophobicContact CB-CE1 3.64Å; L424-Y496 HydrophobicContact CB-CE2 3.87Å; L424-Y496 VanDerWaalsContact CB-CZ 3.48Å; L424-Y496 HydrophobicContact CD1-CD2 4.34Å; L424-Y496 HydrophobicContact CD1-CE2 3.83Å; L424-Y496 HydrophobicContact CG-CE2 4.44Å; D425-Y496 VanDerWaalsContact OD1-CE1 3.24Å; D425-Y496 WeakPolarHBondContact OD1-CE1 3.39Å; D425-Y496 PolarHBondContact OD1-OH 3.24Å; I428-Y496 HydrophobicContact CB-CD1 4.5Å; I428-Y496 HydrophobicContact CD1-CD1 3.68Å; I428-Y496 HydrophobicContact CD1-CE1 4.04Å; I428-Y496 HydrophobicContact CG1-CD1 3.85Å; I428-Y496 HydrophobicContact CG1-CE1 4.13Å; I428-Y496 HydrophobicContact CG2-CD1 3.86Å; I456-Y496 PolarHBondContact N-O 2.8Å; M493-Y496 HydrophobicContact CE-CD2 4.01Å; M493-Y496 HydrophobicContact CE-CG 4.46Å; M493-Y496 PolarHBondContact O-N 3.13Å; M493-Y496 HydrophobicContact SD-CD2 4.02Å; M493-Y496 HydrophobicContact SD-CE2 4.47Å; G494-Y496 PolarHBondContact O-N 3.13Å
497	G	92.8	Very high	86.9	Confident	18 Å²	18	55.1 Å²	55.1	19%	0.186	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-75	141.9	179.4	0	0	0	0	0	113.5	I456 G494 N499	I456-G497 CarbonylContact O-C 3.46Å; I456-G497 WeakPolarHBondContact O-CA 3.33Å; G494-G497 PolarHBondContact O-N 3.35Å; G494-G497 VanDerWaalsContact O-N 3.1Å; G497-N499 PolarHBondContact O-N 3.42Å
498	A	87.8	Confident	87.7	Confident	32 Å²	32	53 Å²	53	26%	0.264	32%	0.323	S	S	.	.	S	Bend	trans	-73.2	-14.5	173.3	0	0	0	0	0	113.4	K387 I456 Q457	K387-A498 HydrophobicContact CB-CB 4.48Å; K387-A498 HydrophobicContact CD-CB 4.11Å; I456-A498 PolarHBondContact O-N 3.4Å; Q457-A498 VanDerWaalsContact OE1-CB 3.23Å
499	N	80.8	Confident	88.7	Confident	72 Å²	72	45.9 Å²	45.9	39%	0.385	28%	0.284	S	S	.	.	S	Bend	trans	-123.5	142.4	173.3	-60.2	-80.9	0	0	0	108.5	N360 Q457 G497 N501	N360-N499 PolarHBondContact ND2-OD1 3.26Å; N360-N499 VanDerWaalsContact ND2-OD1 3.08Å; Q457-N499 PolarHBondContact NE2-ND2 3.29Å; G497-N499 PolarHBondContact O-N 3.42Å; N499-N501 PolarHBondContact O-N 2.96Å
500	S	62.7	Low	89.2	Confident	137 Å²	137	42.4 Å²	42.4	96%	0.958	26%	0.259	S	S	*	.			trans	-73	57.9	-170.5	-45.7	0	0	0	0	115.1
501	N	65.3	Low	89.5	Confident	84 Å²	84	38.8 Å²	38.8	45%	0.449	24%	0.243	S	C	.	.			trans	-98.9	106.7	170.6	-176.7	6	0	0	0	110.2	G494 N499 N503	G494-N501 WeakPolarHBondContact CA-O 3.35Å; N499-N501 PolarHBondContact O-N 2.96Å; N501-N503 VanDerWaalsContact C-N 3.26Å; N501-N503 PolarHBondContact O-N 3.12Å; N501-N503 PolarHBondContact OD1-N 2.91Å
502	S	66.3	Low	89.7	Confident	93 Å²	93	38.8 Å²	38.8	65%	0.65	24%	0.243	S	C	*	.			trans	-72.9	-13.4	178.7	51.6	0	0	0	0	114.4	N492 V504	N492-S502 PolarHBondContact ND2-O 2.75Å; S502-V504 PolarHBondContact O-N 3.06Å
503	N	84.8	Confident	89.9	Confident	103 Å²	103	36.5 Å²	36.5	55%	0.551	23%	0.23	S	C	*	.			trans	-100.7	77.2	-179.5	-166.9	18.6	0	0	0	112	N501 H505	N501-N503 VanDerWaalsContact C-N 3.26Å; N501-N503 PolarHBondContact O-N 3.12Å; N501-N503 PolarHBondContact OD1-N 2.91Å; N503-H505 PolarHBondContact OD1-ND1 3.38Å
504	V	94.1	Very high	90	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.024	23%	0.231	C	C	.	.			trans	-134.4	92.7	167.7	-173.7	0	0	0	0	107.4	F459 M493 S502 Y506	F459-V504 HydrophobicContact CB-CG1 4.2Å; F459-V504 HydrophobicContact CD1-CG1 3.91Å; F459-V504 HydrophobicContact CD2-CG1 3.92Å; F459-V504 HydrophobicContact CD2-CG2 4.03Å; F459-V504 HydrophobicContact CE1-CG1 4.26Å; F459-V504 HydrophobicContact CE2-CG1 4.26Å; F459-V504 HydrophobicContact CE2-CG2 4.05Å; F459-V504 HydrophobicContact CG-CG1 3.74Å; F459-V504 HydrophobicContact CZ-CG1 4.42Å; M493-V504 HydrophobicContact CB-CB 4.46Å; M493-V504 HydrophobicContact CB-CG1 4.07Å; M493-V504 PolarHBondContact N-O 3.01Å; S502-V504 PolarHBondContact O-N 3.06Å; V504-Y506 HydrophobicContact CG1-CD2 4.33Å; V504-Y506 HydrophobicContact CG1-CE2 3.71Å
505	H	95.3	Very high	90.1	Very high	43 Å²	43	39.7 Å²	39.7	20%	0.199	24%	0.244	C	C	.	.			trans	-109.7	156.9	-177.6	-66	96.4	0	0	0	111.4	E490 N492 N503 T565	E490-H505 HydrophobicContact CB-CB 4.14Å; E490-H505 WeakPolarHBondContact OE2-CB 3.43Å; E490-H505 IonicContact OE2-CD2 2.73Å; E490-H505 IonicContact OE2-CG 3.2Å; N492-H505 PolarHBondContact ND2-CE1 3.26Å; N492-H505 PolarHBondContact ND2-NE2 3.2Å; N503-H505 PolarHBondContact OD1-ND1 3.38Å; H505-T565 WeakPolarHBondContact CB-OG1 3.44Å; H505-T565 PolarHBondContact O-N 2.96Å; H505-T565 PolarHBondContact O-OG1 3.18Å
506	Y	97.1	Very high	90.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	128.9	-171.4	-82.4	-78	0	0	0	110.9	F459 P460 L463 E490 L491 M493 V504 E563 R564	F459-Y506 HydrophobicContact CD1-CE2 4.31Å; P460-Y506 PolarHBondContact O-OH 3.23Å; L463-Y506 HydrophobicContact CB-CD1 3.97Å; L463-Y506 HydrophobicContact CB-CE1 3.47Å; L463-Y506 VanDerWaalsContact CB-CE1 3.47Å; L463-Y506 HydrophobicContact CB-CE2 4.41Å; L463-Y506 HydrophobicContact CD2-CD2 4.16Å; L463-Y506 HydrophobicContact CD2-CE1 4.38Å; L463-Y506 HydrophobicContact CD2-CE2 3.86Å; E490-Y506 WeakPolarHBondContact CA-O 3.49Å; L491-Y506 PolarHBondContact N-O 3.05Å; L491-Y506 PolarHBondContact O-N 2.74Å; M493-Y506 HydrophobicContact CB-CD2 3.99Å; M493-Y506 HydrophobicContact CB-CE2 3.95Å; M493-Y506 HydrophobicContact CG-CD2 3.48Å; M493-Y506 VanDerWaalsContact CG-CD2 3.48Å; M493-Y506 HydrophobicContact CG-CE2 3.72Å; V504-Y506 HydrophobicContact CG1-CD2 4.33Å; V504-Y506 HydrophobicContact CG1-CE2 3.71Å; Y506-E563 WeakPolarHBondContact CA-O 3.43Å; Y506-R564 HydrophobicContact CD1-CB 3.95Å; Y506-R564 HydrophobicContact CE1-CB 3.61Å; Y506-R564 HydrophobicContact CE1-CG 4.33Å
507	S	96.6	Very high	89.8	Confident	41 Å²	41	40 Å²	40	29%	0.287	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	133.7	172.5	-81.5	0	0	0	0	110.9	Y562 E563	S507-Y562 CarbonylContact O-C 3.58Å; S507-Y562 WeakPolarHBondContact O-CA 3.4Å; S507-E563 PolarHBondContact N-O 3.29Å; S507-E563 PolarHBondContact O-N 2.86Å
508	L	98	Very high	89.2	Confident	11 Å²	11	42.4 Å²	42.4	6%	0.058	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	131.2	175.6	-171.1	76.3	0	0	0	110.2	F484 T486 I511 W535 L560 Y562	F484-L508 HydrophobicContact CD2-CD2 3.73Å; F484-L508 HydrophobicContact CE2-CD2 3.57Å; T486-L508 HydrophobicContact CG2-CD2 4.44Å; L508-I511 HydrophobicContact CD1-CG1 4.5Å; L508-I511 HydrophobicContact CD2-CD1 3.91Å; L508-I511 HydrophobicContact CD2-CG1 3.98Å; L508-I511 HydrophobicContact CG-CG1 4.47Å; L508-W535 HydrophobicContact CD2-CH2 4Å; L508-W535 HydrophobicContact CD2-CZ2 4.35Å; L508-W535 HydrophobicContact CG-CH2 3.97Å; L508-W535 HydrophobicContact CG-CZ2 4.47Å; L508-L560 HydrophobicContact CD1-CB 3.99Å; L508-L560 HydrophobicContact CD1-CD2 4.34Å; L508-Y562 HydrophobicContact CB-CD1 4.01Å; L508-Y562 HydrophobicContact CB-CE1 3.69Å; L508-Y562 HydrophobicContact CD1-CD1 4.16Å; L508-Y562 HydrophobicContact CD1-CD2 4.01Å; L508-Y562 HydrophobicContact CD1-CE1 3.8Å; L508-Y562 HydrophobicContact CD1-CE2 3.64Å; L508-Y562 HydrophobicContact CD1-CG 4.25Å; L508-Y562 HydrophobicContact CG-CE1 4.34Å
509	Y	97.8	Very high	88.8	Confident	13 Å²	13	45.7 Å²	45.7	5%	0.051	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	-20.5	178.5	76.7	-85.9	0	0	0	114.8	H260 T261 Y462 C527 K528 F561 Y562 E563	H260-Y509 HydrophobicContact CB-CD2 4.14Å; H260-Y509 HydrophobicContact CB-CE2 4.33Å; T261-Y509 PolarHBondContact OG1-OH 3.35Å; Y462-Y509 AromaticContact CD1-CE1 3.62Å; Y462-Y509 HydrophobicContact CD1-CE1 3.62Å; Y462-Y509 AromaticContact CD1-CZ 3.86Å; Y462-Y509 HydrophobicContact CE1-CE1 4.07Å; Y509-C527 WeakPolarHBondContact O-CA 3.27Å; Y509-K528 PolarHBondContact O-N 2.93Å; Y509-F561 HydrophobicContact CD1-CB 4.3Å; Y509-F561 WeakPolarHBondContact CD1-O 3.33Å; Y509-F561 HydrophobicContact CE1-CB 3.69Å; Y509-F561 HydrophobicContact CE2-CB 4.25Å; Y509-F561 PolarHBondContact N-O 2.72Å; Y509-Y562 VanDerWaalsContact CE1-C 3.48Å; Y509-E563 HydrophobicContact CD1-CB 3.82Å; Y509-E563 HydrophobicContact CE1-CB 4.22Å
510	A	98.5	Very high	88.8	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	155.1	172.4	0	0	0	0	0	113.3	C257 L526 C527 F561	C257-A510 HydrophobicContact CB-CB 3.88Å; A510-L526 CarbonylContact C-O 3.47Å; A510-L526 VanDerWaalsContact CA-O 3.27Å; A510-L526 WeakPolarHBondContact CA-O 3.49Å; A510-C527 HydrophobicContact CB-CB 4.36Å; A510-F561 HydrophobicContact CB-CB 4Å; A510-F561 HydrophobicContact CB-CD2 4.28Å; A510-F561 HydrophobicContact CB-CG 4.33Å; A510-F561 PolarHBondContact N-O 2.82Å; A510-F561 WeakPolarHBondContact O-CB 3.46Å; A510-F561 PolarHBondContact O-N 3.42Å
511	I	98.7	Very high	90.2	Very high	0 Å²	0	38 Å²	38	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	124.7	179	-54.6	168.5	0	0	0	108	F484 L508 N513 A525 L526 W535 L552 A557 I559 L560	F484-I511 HydrophobicContact CE2-CD1 3.92Å; F484-I511 HydrophobicContact CZ-CD1 3.88Å; L508-I511 HydrophobicContact CD1-CG1 4.5Å; L508-I511 HydrophobicContact CD2-CD1 3.91Å; L508-I511 HydrophobicContact CD2-CG1 3.98Å; L508-I511 HydrophobicContact CG-CG1 4.47Å; I511-N513 WeakPolarHBondContact CG2-OD1 3.26Å; I511-A525 CarbonylContact O-C 3.41Å; I511-A525 VanDerWaalsContact O-CA 3.29Å; I511-A525 WeakPolarHBondContact O-CA 3.36Å; I511-L526 HydrophobicContact CB-CB 4.28Å; I511-L526 HydrophobicContact CD1-CB 4.49Å; I511-L526 HydrophobicContact CD1-CD1 4.39Å; I511-L526 PolarHBondContact N-O 3.29Å; I511-L526 PolarHBondContact O-N 2.98Å; I511-W535 HydrophobicContact CD1-CZ3 4.5Å; I511-W535 HydrophobicContact CG1-CZ3 4.46Å; I511-L552 HydrophobicContact CD1-CB 3.93Å; I511-L552 HydrophobicContact CD1-CD2 4.15Å; I511-A557 HydrophobicContact CG2-CB 4.05Å; I511-I559 CarbonylContact C-O 3.55Å; I511-I559 WeakPolarHBondContact CA-O 3.39Å; I511-L560 HydrophobicContact CG1-CD2 4.07Å; I511-L560 HydrophobicContact CG2-CD2 4.08Å
512	S	98.7	Very high	91.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117	159.1	-179.3	0	0	0	0	108.5	S253 Y558 I559	S253-S512 PolarHBondContact OG-OG 2.88Å; S512-Y558 WeakPolarHBondContact O-CB 3.4Å; S512-Y558 PolarHBondContact O-N 3.06Å; S512-I559 PolarHBondContact N-O 3.01Å; S512-I559 PolarHBondContact O-N 3.1Å; S512-I559 VanDerWaalsContact O-N 3.12Å
513	N	98.4	Very high	93.3	Very high	10 Å²	10	32.4 Å²	32.4	5%	0.053	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	136.8	173.8	-83.6	-25.2	0	0	0	109.5	I511 Y523 V524 L526 S556 A557	I511-N513 WeakPolarHBondContact CG2-OD1 3.26Å; N513-Y523 VanDerWaalsContact O-CA 3.27Å; N513-Y523 WeakPolarHBondContact O-CA 3.13Å; N513-V524 HydrophobicContact CB-CG2 3.73Å; N513-V524 PolarHBondContact N-O 2.64Å; N513-V524 PolarHBondContact O-N 3.12Å; N513-L526 WeakPolarHBondContact ND2-CD1 3.23Å; N513-L526 WeakPolarHBondContact ND2-CG 3.4Å; N513-S556 CarbonylContact C-O 3.59Å; N513-S556 WeakPolarHBondContact CA-O 3.28Å; N513-A557 WeakPolarHBondContact OD1-CA 3.17Å; N513-A557 PolarHBondContact OD1-N 3.22Å; N513-A557 VanDerWaalsContact OD1-N 3.14Å
514	H	97.7	Very high	94	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.019	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.3	169.4	179.5	-140.9	0	0	0	110.8	F470 K477 S517 H522 Y523 S556 Y558	F470-H514 AromaticContact CZ-CE1 3.56Å; F470-H514 AromaticContact CZ-ND1 3.36Å; F470-H514 WeakPolarHBondContact CZ-ND1 3.12Å; K477-H514 PolarHBondContact NZ-ND1 3.47Å; K477-H514 PolarHBondContact NZ-O 2.92Å; H514-S517 PolarHBondContact CE1-O 3.27Å; H514-S517 VanDerWaalsContact CE1-O 3.32Å; H514-H522 PolarHBondContact CD2-O 3.48Å; H514-Y523 HydrophobicContact CB-CD1 3.76Å; H514-Y523 HydrophobicContact CB-CE1 3.55Å; H514-Y523 AromaticContact CD2-CD2 3.92Å; H514-Y523 AromaticContact CD2-CE1 3.97Å; H514-Y523 AromaticContact CD2-CE2 3.73Å; H514-Y523 AromaticContact CD2-CZ 3.76Å; H514-Y523 AromaticContact CG-CE1 3.75Å; H514-Y523 AromaticContact CG-CZ 3.82Å; H514-S556 PolarHBondContact N-O 2.87Å; H514-S556 WeakPolarHBondContact O-CA 3.31Å; H514-Y558 HydrophobicContact CB-CD1 4.47Å; H514-Y558 HydrophobicContact CB-CG 4.37Å
515	M	95.4	Very high	94.2	Very high	70 Å²	70	27.3 Å²	27.3	35%	0.345	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.7	175.9	-63.8	164.1	-73.5	0	0	109.6	G521 H522 V524	M515-G521 CarbonylContact O-C 3.55Å; M515-G521 WeakPolarHBondContact O-CA 3.23Å; M515-H522 PolarHBondContact N-O 3.38Å; M515-H522 PolarHBondContact O-N 2.9Å; M515-V524 HydrophobicContact CE-CB 4.41Å; M515-V524 HydrophobicContact CE-CG1 3.67Å; M515-V524 HydrophobicContact CE-CG2 3.91Å
516	G	91.1	Very high	94.3	Very high	53 Å²	53	25.5 Å²	25.5	55%	0.546	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	104.2	-156.7	-175	0	0	0	0	0	114	K477	K477-G516 WeakPolarHBondContact CD-O 3.48Å; K477-G516 PolarHBondContact NZ-O 3.44Å
517	S	87.6	Confident	94.4	Very high	53 Å²	53	25.5 Å²	25.5	37%	0.371	18%	0.179	S	C	.	.			trans	-108.1	-175.3	-160.5	76.8	0	0	0	0	114.2	H514 A519 G520	H514-S517 PolarHBondContact CE1-O 3.27Å; H514-S517 VanDerWaalsContact CE1-O 3.32Å; S517-A519 PolarHBondContact OG-N 3.01Å; S517-A519 VanDerWaalsContact OG-N 3.16Å; S517-G520 WeakPolarHBondContact CA-O 3.35Å; S517-G520 PolarHBondContact N-O 3.37Å; S517-G520 PolarHBondContact OG-N 2.92Å; S517-G520 PolarHBondContact OG-O 3.45Å
518	T	81.3	Confident	94.4	Very high	68 Å²	68	25.2 Å²	25.2	42%	0.417	17%	0.173	S	C	.	.	S	Bend	trans	-69.4	-32.4	167.8	34.1	0	0	0	0	113.3	F470 W475 K477	F470-T518 HydrophobicContact CD1-CG2 3.73Å; F470-T518 HydrophobicContact CE1-CG2 4.23Å; W475-T518 PolarHBondContact O-OG1 2.76Å; K477-T518 HydrophobicContact CB-CG2 4.48Å
519	A	78.9	Confident	94.3	Very high	100 Å²	100	24.7 Å²	24.7	83%	0.826	17%	0.17	S	C	*	.	S	Bend	trans	-89	-7.1	-178.2	0	0	0	0	0	113.6	S517	S517-A519 PolarHBondContact OG-N 3.01Å; S517-A519 VanDerWaalsContact OG-N 3.16Å
520	G	81.8	Confident	94	Very high	25 Å²	25	25.8 Å²	25.8	26%	0.258	18%	0.178	S	C	.	.			trans	158.1	155.9	179.3	0	0	0	0	0	113.2	S517	S517-G520 WeakPolarHBondContact CA-O 3.35Å; S517-G520 PolarHBondContact N-O 3.37Å; S517-G520 PolarHBondContact OG-N 2.92Å; S517-G520 PolarHBondContact OG-O 3.45Å
521	G	92.1	Very high	93.7	Very high	22 Å²	22	29.8 Å²	29.8	23%	0.227	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	-150	-174	0	0	0	0	0	112.4	Q324 M515	Q324-G521 PolarHBondContact NE2-O 3.41Å; Q324-G521 PolarHBondContact OE1-O 3.37Å; M515-G521 CarbonylContact O-C 3.55Å; M515-G521 WeakPolarHBondContact O-CA 3.23Å
522	H	97.4	Very high	93.3	Very high	52 Å²	52	31.7 Å²	31.7	24%	0.241	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	143.8	177.3	-174.3	48.7	0	0	0	111	C249 H514 M515 N539 D540	C249-H522 VanDerWaalsContact CB-CE1 3.43Å; C249-H522 WeakPolarHBondContact CB-CE1 3.47Å; C249-H522 WeakPolarHBondContact CB-ND1 3.38Å; C249-H522 PolarHBondContact SG-ND1 2.94Å; H514-H522 PolarHBondContact CD2-O 3.48Å; M515-H522 PolarHBondContact N-O 3.38Å; M515-H522 PolarHBondContact O-N 2.9Å; H522-N539 PolarHBondContact NE2-OD1 3.03Å; H522-D540 IonicContact CE1-OD2 2.66Å; H522-D540 PolarHBondContact CE1-OD2 2.96Å
523	Y	98.5	Very high	93	Very high	8 Å²	8	39.1 Å²	39.1	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	140.9	-179.6	-70.7	-95.8	0	0	0	111.5	F250 A327 N513 H514 Y558	F250-Y523 HydrophobicContact CB-CD2 3.67Å; F250-Y523 HydrophobicContact CB-CE2 3.73Å; F250-Y523 HydrophobicContact CB-CG 4.19Å; A327-Y523 HydrophobicContact CB-CD1 3.82Å; A327-Y523 HydrophobicContact CB-CE1 3.38Å; A327-Y523 PolarHBondContact N-OH 2.91Å; N513-Y523 VanDerWaalsContact O-CA 3.27Å; N513-Y523 WeakPolarHBondContact O-CA 3.13Å; H514-Y523 HydrophobicContact CB-CD1 3.76Å; H514-Y523 HydrophobicContact CB-CE1 3.55Å; H514-Y523 AromaticContact CD2-CD2 3.92Å; H514-Y523 AromaticContact CD2-CE1 3.97Å; H514-Y523 AromaticContact CD2-CE2 3.73Å; H514-Y523 AromaticContact CD2-CZ 3.76Å; H514-Y523 AromaticContact CG-CE1 3.75Å; H514-Y523 AromaticContact CG-CZ 3.82Å; Y523-Y558 AromaticContact CE1-CD1 3.9Å; Y523-Y558 HydrophobicContact CE1-CD1 3.9Å; Y523-Y558 HydrophobicContact CE1-CE1 4.27Å
524	V	98.6	Very high	92.9	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	154.2	171.6	-56.1	0	0	0	0	109.3	N513 M515 E537 N539	N513-V524 HydrophobicContact CB-CG2 3.73Å; N513-V524 PolarHBondContact N-O 2.64Å; N513-V524 PolarHBondContact O-N 3.12Å; M515-V524 HydrophobicContact CE-CB 4.41Å; M515-V524 HydrophobicContact CE-CG1 3.67Å; M515-V524 HydrophobicContact CE-CG2 3.91Å; V524-E537 HydrophobicContact CB-CG 4.12Å; V524-E537 HydrophobicContact CG2-CG 4.17Å; V524-N539 HydrophobicContact CG1-CB 3.85Å; V524-N539 VanDerWaalsContact CG1-CG 3.4Å
525	A	98.8	Very high	92.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	138.8	171.9	0	0	0	0	0	110.9	S253 Q256 I511 E537 F538	S253-A525 WeakPolarHBondContact O-CB 3.45Å; Q256-A525 HydrophobicContact CB-CB 3.63Å; Q256-A525 HydrophobicContact CG-CB 4.49Å; I511-A525 CarbonylContact O-C 3.41Å; I511-A525 VanDerWaalsContact O-CA 3.29Å; I511-A525 WeakPolarHBondContact O-CA 3.36Å; A525-E537 CarbonylContact O-C 3.54Å; A525-E537 WeakPolarHBondContact O-CA 3.19Å; A525-F538 HydrophobicContact CB-CB 4.4Å; A525-F538 PolarHBondContact N-O 3.17Å; A525-F538 VanDerWaalsContact N-O 3.08Å; A525-F538 PolarHBondContact O-N 3.44Å
526	L	98.6	Very high	93	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.026	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.2	162.2	-49.6	-175.1	0	0	0	107	A510 I511 N513 W535 H536 E537 L547 L552	A510-L526 CarbonylContact C-O 3.47Å; A510-L526 VanDerWaalsContact CA-O 3.27Å; A510-L526 WeakPolarHBondContact CA-O 3.49Å; I511-L526 HydrophobicContact CB-CB 4.28Å; I511-L526 HydrophobicContact CD1-CB 4.49Å; I511-L526 HydrophobicContact CD1-CD1 4.39Å; I511-L526 PolarHBondContact N-O 3.29Å; I511-L526 PolarHBondContact O-N 2.98Å; N513-L526 WeakPolarHBondContact ND2-CD1 3.23Å; N513-L526 WeakPolarHBondContact ND2-CG 3.4Å; L526-W535 HydrophobicContact CB-CE3 4.24Å; L526-W535 HydrophobicContact CB-CZ3 4.46Å; L526-W535 WeakPolarHBondContact O-CZ3 3.34Å; L526-H536 WeakPolarHBondContact CA-O 3.27Å; L526-E537 HydrophobicContact CD2-CB 3.54Å; L526-E537 HydrophobicContact CD2-CG 3.79Å; L526-L547 HydrophobicContact CD2-CD1 3.98Å; L526-L552 HydrophobicContact CB-CD2 4.24Å; L526-L552 HydrophobicContact CD1-CD2 3.85Å
527	C	98.3	Very high	93.3	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142.3	-179.5	-57.2	0	0	0	0	112	Q256 H260 Y509 A510 W535 H536 F538	Q256-C527 PolarHBondContact O-SG 2.85Å; H260-C527 HydrophobicContact CB-CB 4.12Å; H260-C527 VanDerWaalsContact CG-CB 3.48Å; Y509-C527 WeakPolarHBondContact O-CA 3.27Å; A510-C527 HydrophobicContact CB-CB 4.36Å; C527-W535 WeakPolarHBondContact O-CA 3.29Å; C527-H536 PolarHBondContact N-O 3.5Å; C527-H536 PolarHBondContact O-N 2.92Å; C527-F538 HydrophobicContact CB-CD2 4.28Å; C527-F538 HydrophobicContact CB-CE2 3.82Å
528	K	96.6	Very high	93.8	Very high	34 Å²	34	39.6 Å²	39.6	15%	0.148	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	109.8	174.3	-158.4	168.4	-170.9	154.3	0	108.7	Y509 R533 K534 W535 E549	Y509-K528 PolarHBondContact O-N 2.93Å; K528-R533 WeakPolarHBondContact CE-O 3.23Å; K528-R533 WeakPolarHBondContact CG-O 3.46Å; K528-K534 CarbonylContact C-O 3.57Å; K528-K534 WeakPolarHBondContact CA-O 3.5Å; K528-W535 HydrophobicContact CB-CD2 3.83Å; K528-W535 HydrophobicContact CB-CE3 4.08Å; K528-W535 HydrophobicContact CB-CG 4.42Å; K528-W535 HydrophobicContact CB-CH2 4.07Å; K528-W535 HydrophobicContact CB-CZ2 3.83Å; K528-W535 HydrophobicContact CB-CZ3 4.19Å; K528-W535 HydrophobicContact CD-CZ2 3.83Å; K528-W535 HydrophobicContact CG-CD2 4.18Å; K528-W535 HydrophobicContact CG-CG 4.38Å; K528-W535 HydrophobicContact CG-CZ2 4.23Å; K528-E549 WeakPolarHBondContact CE-OE1 3.43Å; K528-E549 IonicContact NZ-OE1 3Å; K528-E549 PolarHBondContact NZ-OE1 3.42Å; K528-E549 IonicContact NZ-OE2 3.71Å
529	H	95.3	Very high	94.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	22%	0.215	C	C	.	.			trans	-63.5	130	-178	178	-64.9	0	0	0	110.6	E237 V531 S532 R533 K534	E237-H529 PolarHBondContact O-NE2 3.32Å; E237-H529 VanDerWaalsContact O-NE2 3.11Å; H529-V531 PolarHBondContact ND1-N 3.21Å; H529-V531 PolarHBondContact O-N 2.9Å; H529-S532 WeakPolarHBondContact CB-OG 3.42Å; H529-S532 PolarHBondContact ND1-N 3.07Å; H529-S532 VanDerWaalsContact ND1-N 3.19Å; H529-S532 PolarHBondContact ND1-OG 3.35Å; H529-R533 WeakPolarHBondContact O-CA 3.48Å; H529-R533 PolarHBondContact O-N 3.32Å; H529-K534 PolarHBondContact N-O 2.82Å
530	P	92.1	Very high	95.6	Very high	35 Å²	35	34.7 Å²	34.7	23%	0.227	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-41.1	-166.8	23.2	-33.5	0	0	0	114.1	Q262 W296	Q262-P530 HydrophobicContact CG-CB 4.4Å; W296-P530 HydrophobicContact CH2-CG 3.64Å; W296-P530 HydrophobicContact CZ3-CG 4.05Å
531	V	91.2	Very high	96.3	Very high	85 Å²	85	36.8 Å²	36.8	52%	0.515	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-56.2	-179	-170.5	0	0	0	0	112.3	H529 R533	H529-V531 PolarHBondContact ND1-N 3.21Å; H529-V531 PolarHBondContact O-N 2.9Å; V531-R533 VanDerWaalsContact C-N 3.26Å; V531-R533 PolarHBondContact O-N 3.08Å
532	S	91.8	Very high	96.6	Very high	39 Å²	39	41 Å²	41	27%	0.273	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-15.5	-177.6	71	0	0	0	0	114.8	H529 K534	H529-S532 WeakPolarHBondContact CB-OG 3.42Å; H529-S532 PolarHBondContact ND1-N 3.07Å; H529-S532 VanDerWaalsContact ND1-N 3.19Å; H529-S532 PolarHBondContact ND1-OG 3.35Å; S532-K534 PolarHBondContact O-N 3.22Å; S532-K534 VanDerWaalsContact O-N 3.1Å; S532-K534 PolarHBondContact OG-N 3.36Å
533	R	92.4	Very high	96.6	Very high	157 Å²	157	40.4 Å²	40.4	59%	0.592	20%	0.202	S	C	*	.			trans	57.6	11.3	-173.7	-60.2	-65.5	-128.2	171.7	6.9	115.3	K528 H529 V531	K528-R533 WeakPolarHBondContact CE-O 3.23Å; K528-R533 WeakPolarHBondContact CG-O 3.46Å; H529-R533 WeakPolarHBondContact O-CA 3.48Å; H529-R533 PolarHBondContact O-N 3.32Å; V531-R533 VanDerWaalsContact C-N 3.26Å; V531-R533 PolarHBondContact O-N 3.08Å
534	K	94.8	Very high	96.5	Very high	124 Å²	124	41.6 Å²	41.6	54%	0.539	21%	0.211	S	C	.	.			trans	-88.2	151.4	178.8	-65.6	-179.3	178.6	-170.2	0	111.6	K528 H529 S532 A546	K528-K534 CarbonylContact C-O 3.57Å; K528-K534 WeakPolarHBondContact CA-O 3.5Å; H529-K534 PolarHBondContact N-O 2.82Å; S532-K534 PolarHBondContact O-N 3.22Å; S532-K534 VanDerWaalsContact O-N 3.1Å; S532-K534 PolarHBondContact OG-N 3.36Å; K534-A546 HydrophobicContact CB-CB 4.04Å; K534-A546 HydrophobicContact CD-CB 3.66Å; K534-A546 HydrophobicContact CG-CB 4.3Å
535	W	97.3	Very high	96.3	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	143.5	173.9	-71.6	89.8	0	0	0	111.7	L508 I511 L526 C527 K528 A546 L547 E549 L552	L508-W535 HydrophobicContact CD2-CH2 4Å; L508-W535 HydrophobicContact CD2-CZ2 4.35Å; L508-W535 HydrophobicContact CG-CH2 3.97Å; L508-W535 HydrophobicContact CG-CZ2 4.47Å; I511-W535 HydrophobicContact CD1-CZ3 4.5Å; I511-W535 HydrophobicContact CG1-CZ3 4.46Å; L526-W535 HydrophobicContact CB-CE3 4.24Å; L526-W535 HydrophobicContact CB-CZ3 4.46Å; L526-W535 WeakPolarHBondContact O-CZ3 3.34Å; C527-W535 WeakPolarHBondContact O-CA 3.29Å; K528-W535 HydrophobicContact CB-CD2 3.83Å; K528-W535 HydrophobicContact CB-CE3 4.08Å; K528-W535 HydrophobicContact CB-CG 4.42Å; K528-W535 HydrophobicContact CB-CH2 4.07Å; K528-W535 HydrophobicContact CB-CZ2 3.83Å; K528-W535 HydrophobicContact CB-CZ3 4.19Å; K528-W535 HydrophobicContact CD-CZ2 3.83Å; K528-W535 HydrophobicContact CG-CD2 4.18Å; K528-W535 HydrophobicContact CG-CG 4.38Å; K528-W535 HydrophobicContact CG-CZ2 4.23Å; W535-A546 CarbonylContact O-C 3.54Å; W535-A546 WeakPolarHBondContact O-CA 3.4Å; W535-L547 HydrophobicContact CB-CB 4.22Å; W535-L547 PolarHBondContact O-N 2.8Å; W535-E549 VanDerWaalsContact CD1-CD 3.47Å; W535-E549 VanDerWaalsContact CD1-OE1 3.3Å; W535-E549 PolarHBondContact NE1-OE1 2.93Å; W535-E549 PolarHBondContact NE1-OE2 3.45Å; W535-E549 VanDerWaalsContact NE1-OE2 3.17Å; W535-L552 HydrophobicContact CB-CD2 4.29Å; W535-L552 HydrophobicContact CD2-CD1 3.85Å; W535-L552 HydrophobicContact CD2-CD2 3.58Å; W535-L552 HydrophobicContact CD2-CG 4.36Å; W535-L552 VanDerWaalsContact CE2-CD1 3.46Å; W535-L552 HydrophobicContact CE3-CD1 4.43Å; W535-L552 HydrophobicContact CE3-CD2 3.57Å; W535-L552 HydrophobicContact CG-CD1 4.21Å; W535-L552 HydrophobicContact CG-CD2 3.91Å; W535-L552 HydrophobicContact CH2-CD1 4.37Å; W535-L552 HydrophobicContact CZ2-CD1 3.76Å; W535-L552 HydrophobicContact CZ3-CD2 4.1Å
536	H	97.9	Very high	96.1	Very high	15 Å²	15	51 Å²	51	7%	0.069	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	142.7	175.4	-65.8	-97.9	0	0	0	110	L239 L526 C527 F538 V543 S544	L239-H536 HydrophobicContact CD2-CB 4.38Å; L526-H536 WeakPolarHBondContact CA-O 3.27Å; C527-H536 PolarHBondContact N-O 3.5Å; C527-H536 PolarHBondContact O-N 2.92Å; H536-F538 HydrophobicContact CB-CD2 4.47Å; H536-F538 HydrophobicContact CB-CE2 3.78Å; H536-F538 HydrophobicContact CB-CZ 4.18Å; H536-F538 WeakPolarHBondContact O-CD2 3.32Å; H536-V543 HydrophobicContact CB-CG1 4.15Å; H536-S544 PolarHBondContact ND1-O 3.07Å
537	E	98.5	Very high	95.9	Very high	55 Å²	55	53.1 Å²	53.1	26%	0.257	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	133.1	166.1	178.9	173.2	116.6	0	0	109.7	V524 A525 L526 N539 V543 S544 L547	V524-E537 HydrophobicContact CB-CG 4.12Å; V524-E537 HydrophobicContact CG2-CG 4.17Å; A525-E537 CarbonylContact O-C 3.54Å; A525-E537 WeakPolarHBondContact O-CA 3.19Å; L526-E537 HydrophobicContact CD2-CB 3.54Å; L526-E537 HydrophobicContact CD2-CG 3.79Å; E537-N539 HydrophobicContact CG-CB 4.14Å; E537-N539 WeakPolarHBondContact OE1-CB 3.35Å; E537-N539 PolarHBondContact OE1-ND2 3.18Å; E537-V543 CarbonylContact O-C 3.47Å; E537-V543 VanDerWaalsContact O-CA 3.31Å; E537-V543 WeakPolarHBondContact O-CA 3.39Å; E537-S544 PolarHBondContact N-OG 2.99Å; E537-S544 PolarHBondContact O-N 2.96Å; E537-L547 HydrophobicContact CB-CD1 3.94Å
538	F	98.6	Very high	95.6	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.018	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	101.3	172.1	-60.9	-101.5	0	0	0	107.8	L239 Q256 H260 A525 C527 H536 V543	L239-F538 HydrophobicContact CD2-CZ 4.16Å; Q256-F538 HydrophobicContact CB-CB 4.21Å; Q256-F538 HydrophobicContact CB-CG 4.37Å; Q256-F538 HydrophobicContact CG-CB 3.7Å; Q256-F538 HydrophobicContact CG-CD1 4.24Å; Q256-F538 HydrophobicContact CG-CG 4.06Å; Q256-F538 VanDerWaalsContact NE2-CD1 3.33Å; H260-F538 AromaticContact CE1-CE2 3.82Å; H260-F538 AromaticContact CE1-CZ 3.49Å; H260-F538 VanDerWaalsContact CE1-CZ 3.49Å; H260-F538 WeakPolarHBondContact CE1-CZ 3.24Å; H260-F538 AromaticContact NE2-CZ 3.81Å; A525-F538 HydrophobicContact CB-CB 4.4Å; A525-F538 PolarHBondContact N-O 3.17Å; A525-F538 VanDerWaalsContact N-O 3.08Å; A525-F538 PolarHBondContact O-N 3.44Å; C527-F538 HydrophobicContact CB-CD2 4.28Å; C527-F538 HydrophobicContact CB-CE2 3.82Å; H536-F538 HydrophobicContact CB-CD2 4.47Å; H536-F538 HydrophobicContact CB-CE2 3.78Å; H536-F538 HydrophobicContact CB-CZ 4.18Å; H536-F538 WeakPolarHBondContact O-CD2 3.32Å; F538-V543 HydrophobicContact CD1-CB 4.41Å; F538-V543 HydrophobicContact CD1-CG1 3.97Å; F538-V543 HydrophobicContact CD1-CG2 3.66Å; F538-V543 HydrophobicContact CE1-CG1 3.76Å; F538-V543 HydrophobicContact CE1-CG2 3.92Å; F538-V543 HydrophobicContact CZ-CG1 4.09Å
539	N	98.4	Very high	95.4	Very high	47 Å²	47	55.9 Å²	55.9	25%	0.251	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	84.1	-174.3	-166	-23.5	0	0	0	108.5	H522 V524 E537 N541 I542	H522-N539 PolarHBondContact NE2-OD1 3.03Å; V524-N539 HydrophobicContact CG1-CB 3.85Å; V524-N539 VanDerWaalsContact CG1-CG 3.4Å; E537-N539 HydrophobicContact CG-CB 4.14Å; E537-N539 WeakPolarHBondContact OE1-CB 3.35Å; E537-N539 PolarHBondContact OE1-ND2 3.18Å; N539-N541 PolarHBondContact O-N 2.9Å; N539-N541 VanDerWaalsContact O-N 3.13Å; N539-I542 PolarHBondContact N-O 3.33Å; N539-I542 PolarHBondContact O-N 2.99Å
540	D	98.3	Very high	95.1	Very high	18 Å²	18	62.6 Å²	62.6	10%	0.096	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.2	-115.8	-164.1	-68.2	-43.4	0	0	0	111.6	G241 L242 N244 N252 H522 I542	G241-D540 CarbonylContact C-O 3.55Å; G241-D540 WeakPolarHBondContact CA-O 3.29Å; L242-D540 PolarHBondContact N-O 2.98Å; L242-D540 CarbonylContact O-C 2.88Å; L242-D540 WeakPolarHBondContact O-CA 3.41Å; L242-D540 WeakPolarHBondContact O-CB 3.49Å; N244-D540 HydrophobicContact CB-CB 4.18Å; N244-D540 WeakPolarHBondContact CB-OD2 3.36Å; N244-D540 PolarHBondContact ND2-OD2 3.49Å; N252-D540 PolarHBondContact ND2-OD1 3.1Å; H522-D540 IonicContact CE1-OD2 2.66Å; H522-D540 PolarHBondContact CE1-OD2 2.96Å; D540-I542 VanDerWaalsContact C-N 3.25Å; D540-I542 PolarHBondContact O-N 3.28Å
541	N	97.4	Very high	95.1	Very high	68 Å²	68	67 Å²	67	36%	0.364	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	9.5	-177.8	68	-105.8	0	0	0	114.6	L242 R243 T302 N539	L242-N541 PolarHBondContact O-N 2.91Å; L242-N541 VanDerWaalsContact O-N 3.13Å; R243-N541 HydrophobicContact CG-CB 4.1Å; T302-N541 HydrophobicContact CG2-CB 3.73Å; N539-N541 PolarHBondContact O-N 2.9Å; N539-N541 VanDerWaalsContact O-N 3.13Å
542	I	97.5	Very high	95.3	Very high	110 Å²	110	63 Å²	63	56%	0.564	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.4	178.5	-55.7	178.7	0	0	0	107.6	N539 D540	N539-I542 PolarHBondContact N-O 3.33Å; N539-I542 PolarHBondContact O-N 2.99Å; D540-I542 VanDerWaalsContact C-N 3.25Å; D540-I542 PolarHBondContact O-N 3.28Å
543	V	97.8	Very high	95.5	Very high	41 Å²	41	63.1 Å²	63.1	25%	0.248	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.2	170.3	-172.2	0	0	0	0	107.4	L239 H536 E537 F538	L239-V543 HydrophobicContact CD2-CG1 4.37Å; H536-V543 HydrophobicContact CB-CG1 4.15Å; E537-V543 CarbonylContact O-C 3.47Å; E537-V543 VanDerWaalsContact O-CA 3.31Å; E537-V543 WeakPolarHBondContact O-CA 3.39Å; F538-V543 HydrophobicContact CD1-CB 4.41Å; F538-V543 HydrophobicContact CD1-CG1 3.97Å; F538-V543 HydrophobicContact CD1-CG2 3.66Å; F538-V543 HydrophobicContact CE1-CG1 3.76Å; F538-V543 HydrophobicContact CE1-CG2 3.92Å; F538-V543 HydrophobicContact CZ-CG1 4.09Å
544	S	96.6	Very high	95.7	Very high	33 Å²	33	57 Å²	57	23%	0.231	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-76.2	160.9	-180	76.8	0	0	0	0	112.3	H536 E537	H536-S544 PolarHBondContact ND1-O 3.07Å; E537-S544 PolarHBondContact N-OG 2.99Å; E537-S544 PolarHBondContact O-N 2.96Å
545	D	94.3	Very high	95.7	Very high	149 Å²	149	53.4 Å²	53.4	80%	0.797	30%	0.299	S	S	*	.	S	Bend	trans	-56.9	167	154.4	-80.4	-56.2	0	0	0	111.6	L547	D545-L547 PolarHBondContact O-N 2.97Å
546	A	94.1	Very high	95.7	Very high	49 Å²	49	54.6 Å²	54.6	41%	0.405	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-60.7	122.5	-176.5	0	0	0	0	0	112.9	K534 W535	K534-A546 HydrophobicContact CB-CB 4.04Å; K534-A546 HydrophobicContact CD-CB 3.66Å; K534-A546 HydrophobicContact CG-CB 4.3Å; W535-A546 CarbonylContact O-C 3.54Å; W535-A546 WeakPolarHBondContact O-CA 3.4Å
547	L	93.9	Very high	95.7	Very high	50 Å²	50	53.9 Å²	53.9	26%	0.262	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-85	148.4	-179	-59.6	177.7	0	0	0	112.3	L526 W535 E537 D545	L526-L547 HydrophobicContact CD2-CD1 3.98Å; W535-L547 HydrophobicContact CB-CB 4.22Å; W535-L547 PolarHBondContact O-N 2.8Å; E537-L547 HydrophobicContact CB-CD1 3.94Å; D545-L547 PolarHBondContact O-N 2.97Å
548	S	93.1	Very high	95.7	Very high	58 Å²	58	51.3 Å²	51.3	41%	0.406	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-73.9	139.2	165.6	-177.1	0	0	0	0	110.4	N550 H551	S548-N550 PolarHBondContact O-N 3.49Å; S548-N550 VanDerWaalsContact O-N 3.08Å; S548-H551 PolarHBondContact O-N 3.43Å
549	E	91.5	Very high	95.7	Very high	34 Å²	34	51.1 Å²	51.1	16%	0.159	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-60.5	-21.7	178.5	-58.6	-134.2	-172.5	0	0	112.7	S487 K528 W535 H551 L552	S487-E549 VanDerWaalsContact CA-OE2 3.28Å; S487-E549 WeakPolarHBondContact CA-OE2 3.21Å; S487-E549 PolarHBondContact N-OE2 2.77Å; S487-E549 PolarHBondContact OG-OE2 3Å; K528-E549 WeakPolarHBondContact CE-OE1 3.43Å; K528-E549 IonicContact NZ-OE1 3Å; K528-E549 PolarHBondContact NZ-OE1 3.42Å; K528-E549 IonicContact NZ-OE2 3.71Å; W535-E549 VanDerWaalsContact CD1-CD 3.47Å; W535-E549 VanDerWaalsContact CD1-OE1 3.3Å; W535-E549 PolarHBondContact NE1-OE1 2.93Å; W535-E549 PolarHBondContact NE1-OE2 3.45Å; W535-E549 VanDerWaalsContact NE1-OE2 3.17Å; E549-H551 PolarHBondContact O-N 2.67Å; E549-H551 VanDerWaalsContact O-N 3.08Å; E549-L552 HydrophobicContact CB-CD1 3.87Å; E549-L552 HydrophobicContact CG-CD1 4.17Å; E549-L552 WeakPolarHBondContact O-CB 3.34Å; E549-L552 VanDerWaalsContact O-CG 3.3Å; E549-L552 WeakPolarHBondContact O-CG 3.35Å; E549-L552 PolarHBondContact O-N 3.24Å; E549-L552 VanDerWaalsContact O-N 3.11Å
550	N	89.5	Confident	95.7	Very high	141 Å²	141	48.9 Å²	48.9	75%	0.754	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-58.8	-18.5	173.1	-67.3	-15	0	0	0	114	S548	S548-N550 PolarHBondContact O-N 3.49Å; S548-N550 VanDerWaalsContact O-N 3.08Å
551	H	91.6	Very high	95.7	Very high	129 Å²	129	48 Å²	48	60%	0.597	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-96	-3.3	-180	-59.8	164.2	0	0	0	113.9	S548 E549	S548-H551 PolarHBondContact O-N 3.43Å; E549-H551 PolarHBondContact O-N 2.67Å; E549-H551 VanDerWaalsContact O-N 3.08Å
552	L	95.4	Very high	95.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-42.8	-177.8	-59.2	173.4	0	0	0	112.2	F484 T486 I511 L526 W535 E549 S554	F484-L552 HydrophobicContact CE2-CB 4.42Å; T486-L552 HydrophobicContact CG2-CB 4.28Å; T486-L552 HydrophobicContact CG2-CD1 3.98Å; I511-L552 HydrophobicContact CD1-CB 3.93Å; I511-L552 HydrophobicContact CD1-CD2 4.15Å; L526-L552 HydrophobicContact CB-CD2 4.24Å; L526-L552 HydrophobicContact CD1-CD2 3.85Å; W535-L552 HydrophobicContact CB-CD2 4.29Å; W535-L552 HydrophobicContact CD2-CD1 3.85Å; W535-L552 HydrophobicContact CD2-CD2 3.58Å; W535-L552 HydrophobicContact CD2-CG 4.36Å; W535-L552 VanDerWaalsContact CE2-CD1 3.46Å; W535-L552 HydrophobicContact CE3-CD1 4.43Å; W535-L552 HydrophobicContact CE3-CD2 3.57Å; W535-L552 HydrophobicContact CG-CD1 4.21Å; W535-L552 HydrophobicContact CG-CD2 3.91Å; W535-L552 HydrophobicContact CH2-CD1 4.37Å; W535-L552 HydrophobicContact CZ2-CD1 3.76Å; W535-L552 HydrophobicContact CZ3-CD2 4.1Å; E549-L552 HydrophobicContact CB-CD1 3.87Å; E549-L552 HydrophobicContact CG-CD1 4.17Å; E549-L552 WeakPolarHBondContact O-CB 3.34Å; E549-L552 VanDerWaalsContact O-CG 3.3Å; E549-L552 WeakPolarHBondContact O-CG 3.35Å; E549-L552 PolarHBondContact O-N 3.24Å; E549-L552 VanDerWaalsContact O-N 3.11Å; L552-S554 PolarHBondContact O-N 2.89Å
553	V	96.6	Very high	95.7	Very high	42 Å²	42	41.1 Å²	41.1	26%	0.255	24%	0.238	S	C	.	.			trans	-77.5	107.5	-177.5	176.6	0	0	0	0	110.2	I481 E483 F484 T486	I481-V553 HydrophobicContact CG2-CG1 3.89Å; E483-V553 HydrophobicContact CG-CG1 4.48Å; F484-V553 HydrophobicContact CD2-CG2 4.14Å; F484-V553 HydrophobicContact CE1-CG2 4.39Å; F484-V553 HydrophobicContact CE2-CG2 3.88Å; F484-V553 HydrophobicContact CZ-CB 4.48Å; F484-V553 HydrophobicContact CZ-CG2 4.01Å; T486-V553 HydrophobicContact CG2-CG2 4.17Å
554	S	95.6	Very high	95.6	Very high	27 Å²	27	44 Å²	44	19%	0.189	24%	0.244	C	C	.	.			trans	-141.9	167.1	-178	72.9	0	0	0	0	112.7	L552 S556 A557	L552-S554 PolarHBondContact O-N 2.89Å; S554-S556 PolarHBondContact O-N 3.4Å; S554-S556 WeakPolarHBondContact OG-CB 3.25Å; S554-S556 PolarHBondContact OG-N 3.43Å; S554-A557 PolarHBondContact OG-N 3.17Å
555	S	95.7	Very high	95.3	Very high	50 Å²	50	47.8 Å²	47.8	35%	0.35	27%	0.266	S	S	.	.	S	Bend	trans	-70.5	-12	167.4	47.8	0	0	0	0	113.4	S479	S479-S555 WeakPolarHBondContact O-CB 3.35Å
556	S	96.8	Very high	95.3	Very high	26 Å²	26	42.7 Å²	42.7	18%	0.182	24%	0.239	C	C	.	.	S	Bend	trans	-83	-26	178.5	-56.7	0	0	0	0	113.1	N513 H514 S554 Y558	N513-S556 CarbonylContact C-O 3.59Å; N513-S556 WeakPolarHBondContact CA-O 3.28Å; H514-S556 PolarHBondContact N-O 2.87Å; H514-S556 WeakPolarHBondContact O-CA 3.31Å; S554-S556 PolarHBondContact O-N 3.4Å; S554-S556 WeakPolarHBondContact OG-CB 3.25Å; S554-S556 PolarHBondContact OG-N 3.43Å; S556-Y558 PolarHBondContact O-N 2.81Å
557	A	97.9	Very high	95.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	123.1	-178.5	0	0	0	0	0	111.1	L467 R469 F484 I511 N513 S554 L560	L467-A557 WeakPolarHBondContact CD1-O 3.38Å; R469-A557 PolarHBondContact NE-O 3.26Å; R469-A557 PolarHBondContact NH2-O 3.37Å; F484-A557 HydrophobicContact CE1-CB 3.82Å; F484-A557 HydrophobicContact CZ-CB 4.2Å; I511-A557 HydrophobicContact CG2-CB 4.05Å; N513-A557 WeakPolarHBondContact OD1-CA 3.17Å; N513-A557 PolarHBondContact OD1-N 3.22Å; N513-A557 VanDerWaalsContact OD1-N 3.14Å; S554-A557 PolarHBondContact OG-N 3.17Å; A557-L560 HydrophobicContact CB-CD2 4.37Å
558	Y	98.3	Very high	95.5	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.008	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	-44.7	-169.6	178.6	-123.5	0	0	0	112.9	D326 A327 Q328 H466 L467 R469 F470 S512 H514 Y523 S556	D326-Y558 PolarHBondContact OD1-OH 3.06Å; D326-Y558 PolarHBondContact OD2-OH 2.98Å; D326-Y558 VanDerWaalsContact OD2-OH 3.05Å; A327-Y558 HydrophobicContact CB-CE1 4.38Å; Q328-Y558 HydrophobicContact CB-CE1 4.37Å; H466-Y558 AromaticContact CD2-CE2 3.38Å; H466-Y558 WeakPolarHBondContact CD2-CE2 3.4Å; H466-Y558 AromaticContact CD2-CZ 3.54Å; H466-Y558 PolarHBondContact CD2-OH 2.74Å; H466-Y558 AromaticContact NE2-CE2 3.31Å; H466-Y558 VanDerWaalsContact NE2-CE2 3.31Å; H466-Y558 WeakPolarHBondContact NE2-CE2 3.27Å; H466-Y558 AromaticContact NE2-CZ 3.42Å; H466-Y558 PolarHBondContact NE2-OH 3.29Å; L467-Y558 PolarHBondContact N-O 2.84Å; L467-Y558 WeakPolarHBondContact O-CD2 3.36Å; L467-Y558 VanDerWaalsContact O-CE2 3.28Å; L467-Y558 WeakPolarHBondContact O-CE2 3.16Å; R469-Y558 HydrophobicContact CB-CD2 4.33Å; R469-Y558 HydrophobicContact CB-CE2 4.48Å; R469-Y558 HydrophobicContact CG-CD2 4.34Å; F470-Y558 HydrophobicContact CD2-CE2 4.07Å; F470-Y558 HydrophobicContact CE2-CE1 4.33Å; F470-Y558 AromaticContact CE2-CE2 3.96Å; F470-Y558 HydrophobicContact CE2-CE2 3.96Å; F470-Y558 AromaticContact CE2-CZ 3.78Å; S512-Y558 WeakPolarHBondContact O-CB 3.4Å; S512-Y558 PolarHBondContact O-N 3.06Å; H514-Y558 HydrophobicContact CB-CD1 4.47Å; H514-Y558 HydrophobicContact CB-CG 4.37Å; Y523-Y558 AromaticContact CE1-CD1 3.9Å; Y523-Y558 HydrophobicContact CE1-CD1 3.9Å; Y523-Y558 HydrophobicContact CE1-CE1 4.27Å; S556-Y558 PolarHBondContact O-N 2.81Å
559	I	98.7	Very high	95.6	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.8	171.3	-44.8	175	0	0	0	108.5	A327 Q328 L331 V464 I465 I511 S512 F561	A327-I559 HydrophobicContact CB-CD1 4.04Å; Q328-I559 HydrophobicContact CB-CD1 3.88Å; Q328-I559 HydrophobicContact CB-CG1 4.47Å; L331-I559 HydrophobicContact CD2-CD1 4.42Å; L331-I559 HydrophobicContact CD2-CG2 4.38Å; V464-I559 HydrophobicContact CG1-CG2 3.44Å; V464-I559 VanDerWaalsContact CG1-CG2 3.44Å; I465-I559 WeakPolarHBondContact O-CA 3.38Å; I511-I559 CarbonylContact C-O 3.55Å; I511-I559 WeakPolarHBondContact CA-O 3.39Å; S512-I559 PolarHBondContact N-O 3.01Å; S512-I559 PolarHBondContact O-N 3.1Å; S512-I559 VanDerWaalsContact O-N 3.12Å; I559-F561 HydrophobicContact CB-CE2 3.99Å; I559-F561 HydrophobicContact CG2-CD2 4.18Å; I559-F561 HydrophobicContact CG2-CE2 3.59Å; I559-F561 HydrophobicContact CG2-CZ 3.96Å
560	L	98.8	Very high	95.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134.1	176.6	-55.1	176.2	0	0	0	109.4	L420 V464 I465 F484 L508 I511 A557 Y562	L420-L560 HydrophobicContact CD1-CD1 4.1Å; L420-L560 HydrophobicContact CD2-CD1 3.9Å; V464-L560 WeakPolarHBondContact CA-O 3.41Å; I465-L560 HydrophobicContact CB-CB 4.44Å; I465-L560 PolarHBondContact N-O 3.05Å; I465-L560 PolarHBondContact O-N 2.67Å; F484-L560 HydrophobicContact CB-CD1 4.21Å; F484-L560 HydrophobicContact CD1-CD1 3.82Å; F484-L560 HydrophobicContact CD1-CD2 4.04Å; F484-L560 HydrophobicContact CE1-CD1 4.39Å; F484-L560 HydrophobicContact CE1-CD2 3.79Å; F484-L560 HydrophobicContact CE2-CD2 4.3Å; F484-L560 HydrophobicContact CG-CD1 4.02Å; F484-L560 HydrophobicContact CG-CD2 4.42Å; F484-L560 HydrophobicContact CZ-CD2 3.92Å; L508-L560 HydrophobicContact CD1-CB 3.99Å; L508-L560 HydrophobicContact CD1-CD2 4.34Å; I511-L560 HydrophobicContact CG1-CD2 4.07Å; I511-L560 HydrophobicContact CG2-CD2 4.08Å; A557-L560 HydrophobicContact CB-CD2 4.37Å; L560-Y562 HydrophobicContact CB-CD2 4.25Å; L560-Y562 HydrophobicContact CB-CE2 3.71Å; L560-Y562 HydrophobicContact CD1-CE2 4.18Å
561	F	98.7	Very high	96.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.6	178.6	-65.1	-105.6	0	0	0	109.9	C257 L258 L331 V464 Y509 A510 I559	C257-F561 HydrophobicContact CB-CD1 4.27Å; C257-F561 HydrophobicContact CB-CD2 3.79Å; C257-F561 HydrophobicContact CB-CE1 4.01Å; C257-F561 HydrophobicContact CB-CE2 3.49Å; C257-F561 VanDerWaalsContact CB-CE2 3.49Å; C257-F561 HydrophobicContact CB-CG 4.18Å; C257-F561 HydrophobicContact CB-CZ 3.61Å; C257-F561 VanDerWaalsContact SG-CE2 3.59Å; L258-F561 HydrophobicContact CD2-CE1 4.31Å; L331-F561 HydrophobicContact CD1-CE1 4.31Å; L331-F561 HydrophobicContact CD1-CZ 4.4Å; L331-F561 HydrophobicContact CD2-CE1 4.14Å; L331-F561 HydrophobicContact CD2-CZ 3.89Å; V464-F561 HydrophobicContact CG1-CE1 4.34Å; V464-F561 HydrophobicContact CG2-CD1 3.82Å; V464-F561 HydrophobicContact CG2-CE1 3.95Å; Y509-F561 HydrophobicContact CD1-CB 4.3Å; Y509-F561 WeakPolarHBondContact CD1-O 3.33Å; Y509-F561 HydrophobicContact CE1-CB 3.69Å; Y509-F561 HydrophobicContact CE2-CB 4.25Å; Y509-F561 PolarHBondContact N-O 2.72Å; A510-F561 HydrophobicContact CB-CB 4Å; A510-F561 HydrophobicContact CB-CD2 4.28Å; A510-F561 HydrophobicContact CB-CG 4.33Å; A510-F561 PolarHBondContact N-O 2.82Å; A510-F561 WeakPolarHBondContact O-CB 3.46Å; A510-F561 PolarHBondContact O-N 3.42Å; I559-F561 HydrophobicContact CB-CE2 3.99Å; I559-F561 HydrophobicContact CG2-CD2 4.18Å; I559-F561 HydrophobicContact CG2-CE2 3.59Å; I559-F561 HydrophobicContact CG2-CZ 3.96Å
562	Y	98.4	Very high	96.6	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	143.1	-179.1	-72.6	-90.7	0	0	0	111.9	L420 Y462 L463 I465 L491 S507 L508 Y509 L560	L420-Y562 HydrophobicContact CD2-CE2 4.18Å; L420-Y562 WeakPolarHBondContact CD2-OH 3.46Å; Y462-Y562 CarbonylContact C-O 3.58Å; Y462-Y562 VanDerWaalsContact CA-O 3.23Å; Y462-Y562 WeakPolarHBondContact CA-O 3.17Å; L463-Y562 PolarHBondContact N-O 2.9Å; L463-Y562 PolarHBondContact O-N 3.02Å; I465-Y562 HydrophobicContact CD1-CD2 4.17Å; I465-Y562 HydrophobicContact CD1-CE2 3.99Å; L491-Y562 HydrophobicContact CB-CD1 4.28Å; L491-Y562 HydrophobicContact CB-CE1 3.79Å; L491-Y562 HydrophobicContact CD2-CD1 4.35Å; L491-Y562 HydrophobicContact CD2-CD2 4.31Å; L491-Y562 HydrophobicContact CD2-CE1 3.95Å; L491-Y562 HydrophobicContact CD2-CE2 3.9Å; S507-Y562 CarbonylContact O-C 3.58Å; S507-Y562 WeakPolarHBondContact O-CA 3.4Å; L508-Y562 HydrophobicContact CB-CD1 4.01Å; L508-Y562 HydrophobicContact CB-CE1 3.69Å; L508-Y562 HydrophobicContact CD1-CD1 4.16Å; L508-Y562 HydrophobicContact CD1-CD2 4.01Å; L508-Y562 HydrophobicContact CD1-CE1 3.8Å; L508-Y562 HydrophobicContact CD1-CE2 3.64Å; L508-Y562 HydrophobicContact CD1-CG 4.25Å; L508-Y562 HydrophobicContact CG-CE1 4.34Å; Y509-Y562 VanDerWaalsContact CE1-C 3.48Å; L560-Y562 HydrophobicContact CB-CD2 4.25Å; L560-Y562 HydrophobicContact CB-CE2 3.71Å; L560-Y562 HydrophobicContact CD1-CE2 4.18Å
563	E	97.2	Very high	96.7	Very high	32 Å²	32	30.2 Å²	30.2	15%	0.15	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.8	172.1	-179.2	165.2	-129.9	0	0	107.9	Q262 Y462 Y506 S507 Y509	Q262-E563 PolarHBondContact NE2-OE1 3.28Å; Q262-E563 PolarHBondContact NE2-OE2 2.66Å; Y462-E563 HydrophobicContact CD1-CB 3.9Å; Y462-E563 HydrophobicContact CD1-CG 4.11Å; Y462-E563 HydrophobicContact CE1-CB 3.66Å; Y462-E563 HydrophobicContact CE1-CG 3.48Å; Y462-E563 VanDerWaalsContact CE1-CG 3.48Å; Y462-E563 VanDerWaalsContact CE1-OE1 3.25Å; Y462-E563 WeakPolarHBondContact CE1-OE1 3.44Å; Y462-E563 PolarHBondContact OH-OE1 2.69Å; Y506-E563 WeakPolarHBondContact CA-O 3.43Å; S507-E563 PolarHBondContact N-O 3.29Å; S507-E563 PolarHBondContact O-N 2.86Å; Y509-E563 HydrophobicContact CD1-CB 3.82Å; Y509-E563 HydrophobicContact CE1-CB 4.22Å
564	R	95.2	Very high	96.7	Very high	102 Å²	102	29.3 Å²	29.3	39%	0.385	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	135.3	178.8	-178	174.8	176	173.2	2.9	110.7	K461 Y506	K461-R564 WeakPolarHBondContact O-CB 3.44Å; K461-R564 PolarHBondContact O-N 2.77Å; Y506-R564 HydrophobicContact CD1-CB 3.95Å; Y506-R564 HydrophobicContact CE1-CB 3.61Å; Y506-R564 HydrophobicContact CE1-CG 4.33Å
565	T	89.3	Confident	96.8	Very high	111 Å²	111	29.5 Å²	29.5	68%	0.681	16%	0.16	S	C	*	.			trans	-98.2	0	174.5	44.5	0	0	0	0	113.2	E490 H505	E490-T565 WeakPolarHBondContact OE1-CB 3.48Å; E490-T565 VanDerWaalsContact OE1-CG2 3.28Å; E490-T565 WeakPolarHBondContact OE1-CG2 3.4Å; E490-T565 PolarHBondContact OE1-OG1 2.74Å; H505-T565 WeakPolarHBondContact CB-OG1 3.44Å; H505-T565 PolarHBondContact O-N 2.96Å; H505-T565 PolarHBondContact O-OG1 3.18Å

Retrieved 565 of 565 residues in 115.8 ms (Link to these results)

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