A0A087WY31_HUMAN Loading...

YTH domain-containing family protein

Specifically recognizes and binds N6-methyladenosine (m6A)-containing RNAs, and regulates mRNA stability. M6A is a modification present at internal sites of mRNAs and some non-coding RNAs and plays a role in mRNA stability and processing.

AlphaFold DB (A0A2K5N0R6), UniProt , Accession A0A087WY31, Species HUMAN (Homo sapiens, Human), Gene YTHDF3, Length 588 aa.

Structure Viewer

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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	38.4	Very low	35.2	Very low	227 Å²	227	182.8 Å²	182.8	100%	1.118	86%	0.861	S	S	*	*				0	107.4	0	-172.5	179.1	-164.8	0	0	107.1
2	F	30.4	Very low	34.9	Very low	204 Å²	204	175.4 Å²	175.4	90%	0.895	85%	0.854	S	S	*	*			trans	-144	112.6	174.7	-91.1	-75.1	0	0	0	108.2
3	Y	37.6	Very low	34.5	Very low	216 Å²	216	177.2 Å²	177.2	85%	0.847	86%	0.859	S	S	*	*			trans	-70.7	141.8	154.9	-97.1	-114.7	0	0	0	107.6
4	L	38.3	Very low	34.4	Very low	166 Å²	166	177.2 Å²	177.2	87%	0.869	86%	0.857	S	S	*	*			trans	-122	112.2	154.2	-92.1	169.1	0	0	0	106.9
5	D	31.3	Very low	34.4	Very low	120 Å²	120	174.9 Å²	174.9	64%	0.642	86%	0.858	S	S	*	*			trans	-68.9	146.1	173.5	-153.1	-44.5	0	0	0	109.3	T7	D5-T7 WeakPolarHBondContact OD1-CB 3.33Å; D5-T7 WeakPolarHBondContact OD1-CG2 3.21Å; D5-T7 PolarHBondContact OD1-N 3.47Å; D5-T7 PolarHBondContact OD1-OG1 3.14Å
6	L	36.2	Very low	34.1	Very low	167 Å²	167	168.9 Å²	168.9	87%	0.874	86%	0.856	S	S	*	*			trans	-132.2	42.7	-174.1	-129.9	167.1	0	0	0	111
7	T	39.8	Very low	33.9	Very low	109 Å²	109	170.8 Å²	170.8	67%	0.669	86%	0.861	S	S	*	*			trans	-109.4	54	-178.1	49.5	0	0	0	0	113.2	D5	D5-T7 WeakPolarHBondContact OD1-CB 3.33Å; D5-T7 WeakPolarHBondContact OD1-CG2 3.21Å; D5-T7 PolarHBondContact OD1-N 3.47Å; D5-T7 PolarHBondContact OD1-OG1 3.14Å
8	L	35.9	Very low	33.8	Very low	157 Å²	157	172 Å²	172	82%	0.822	86%	0.863	S	S	*	*			trans	-160	103.5	161.9	-138.7	80.9	0	0	0	112.5
9	F	34.5	Very low	33.5	Very low	206 Å²	206	168.6 Å²	168.6	90%	0.904	86%	0.857	S	S	*	*			trans	175.7	88.6	147.7	-104.8	-65.3	0	0	0	111.3
10	H	34.5	Very low	33.4	Very low	198 Å²	198	170.6 Å²	170.6	92%	0.917	86%	0.86	S	S	*	*			trans	-173.7	92.1	156	-114.2	-70.4	0	0	0	112.3
11	R	30.2	Very low	33.3	Very low	241 Å²	241	167.6 Å²	167.6	91%	0.909	86%	0.855	S	S	*	*			trans	-169.3	142	158.4	-171.4	165.5	166.3	87.7	2.8	111
12	A	31.8	Very low	33	Very low	94 Å²	94	164.1 Å²	164.1	78%	0.777	85%	0.846	S	S	*	*			trans	63.4	136.6	179.9	0	0	0	0	0	114.2
13	E	29.1	Very low	33.1	Very low	199 Å²	199	162.1 Å²	162.1	93%	0.93	84%	0.839	S	S	*	*			cis	-123.5	170.9	35.4	-74.5	179.8	135.5	0	0	115.9
14	E	33.5	Very low	32.7	Very low	177 Å²	177	159 Å²	159	83%	0.827	84%	0.837	S	S	*	*			trans	-150	168.3	174.2	-177.5	170.3	-140.3	0	0	107.7
15	T	34.3	Very low	32.3	Very low	143 Å²	143	154.8 Å²	154.8	88%	0.877	83%	0.834	S	S	*	*			trans	80.7	140.2	-175.7	74.6	0	0	0	0	115.8
16	G	29.4	Very low	32.6	Very low	79 Å²	79	154.4 Å²	154.4	81%	0.814	84%	0.841	S	S	*	*			trans	151.5	41.2	-171.2	0	0	0	0	0	113.6
17	E	31.1	Very low	32.7	Very low	201 Å²	201	154.6 Å²	154.6	94%	0.939	84%	0.841	S	S	*	*			trans	-78.2	128.1	168.4	-69.1	-172.3	127.5	0	0	109.8
18	E	31.5	Very low	32.5	Very low	192 Å²	192	156.6 Å²	156.6	90%	0.897	84%	0.842	S	S	*	*			trans	-146.1	150.6	151.4	-149.3	171.2	-134.2	0	0	109
19	S	28.1	Very low	32.4	Very low	108 Å²	108	155 Å²	155	76%	0.755	83%	0.831	S	S	*	*			trans	-130.7	142.7	-165.8	59	0	0	0	0	112.1
20	F	31.6	Very low	32.4	Very low	208 Å²	208	153.2 Å²	153.2	91%	0.912	82%	0.822	S	S	*	*			trans	-136.6	132.8	169.7	-102.6	-85.3	0	0	0	110.6
21	S	31.6	Very low	32.3	Very low	108 Å²	108	151 Å²	151	76%	0.755	82%	0.817	S	S	*	*			trans	-106.6	144.5	-176.6	52.8	0	0	0	0	111.7
22	V	33.1	Very low	32.4	Very low	154 Å²	154	143.2 Å²	143.2	93%	0.933	80%	0.804	S	S	*	*			trans	-138.5	146.7	156.7	-165.5	0	0	0	0	107.4
23	Q	30.9	Very low	32.5	Very low	161 Å²	161	145 Å²	145	75%	0.752	81%	0.806	S	S	*	*			trans	-134.7	162.2	-161.2	-173.2	-178.7	-28.3	0	0	111.7
24	N	30.7	Very low	32.5	Very low	151 Å²	151	141.1 Å²	141.1	81%	0.807	79%	0.791	S	S	*	*			trans	81	144.3	176.3	-57.7	-36	0	0	0	115.7
25	G	29.8	Very low	32.6	Very low	78 Å²	78	139.1 Å²	139.1	80%	0.804	79%	0.786	S	S	*	*			cis	-161.2	173.4	2.4	0	0	0	0	0	114.1
26	S	37.9	Very low	32.6	Very low	111 Å²	111	139.1 Å²	139.1	78%	0.776	78%	0.781	S	S	*	*			trans	-121	148.7	-177.9	177.4	0	0	0	0	110.7
27	I	37	Very low	32.8	Very low	172 Å²	172	141.6 Å²	141.6	88%	0.882	78%	0.776	S	S	*	*			trans	-153.4	160.9	164.9	-114.4	162.6	0	0	0	110.2
28	H	37	Very low	32.9	Very low	151 Å²	151	140.8 Å²	140.8	70%	0.699	77%	0.769	S	S	*	*			trans	-127.4	149.1	-153.8	-114.8	-23.3	0	0	0	114.7
29	Q	32	Very low	33.5	Very low	124 Å²	124	139.2 Å²	139.2	58%	0.579	76%	0.762	S	S	*	*			trans	69	133	140.1	-73.6	-177.7	47.1	0	0	123.4
30	K	35.3	Very low	34.3	Very low	167 Å²	167	138.7 Å²	138.7	73%	0.726	76%	0.756	S	S	*	*			trans	73	118.3	136.2	-72.4	169.5	178.4	157.1	0	121.1
31	D	32.7	Very low	34.4	Very low	152 Å²	152	139.7 Å²	139.7	81%	0.813	76%	0.755	S	S	*	*				-138.2	171	94.6	-89.8	-33.2	0	0	0	107.9
32	A	33.3	Very low	34.7	Very low	77 Å²	77	141.8 Å²	141.8	64%	0.636	76%	0.757	S	S	*	*			cis	78.1	148.8	25.4	0	0	0	0	0	114
33	V	33.2	Very low	34.6	Very low	132 Å²	132	139.1 Å²	139.1	80%	0.8	75%	0.745	S	S	*	*			cis	-165.5	158.4	-15.5	-96	0	0	0	0	106.3
34	N	28.9	Very low	34.6	Very low	117 Å²	117	137.3 Å²	137.3	63%	0.626	75%	0.751	S	S	*	*			cis	-163.8	154.9	-13.6	56.4	-73.4	0	0	0	109.5
35	D	36.3	Very low	34.7	Very low	135 Å²	135	138.8 Å²	138.8	72%	0.722	75%	0.752	S	S	*	*			trans	60.4	161.5	157.3	-44.5	-28.1	0	0	0	119
36	D	33	Very low	34.9	Very low	144 Å²	144	142 Å²	142	77%	0.77	76%	0.756	S	S	*	*			cis	-155.4	-178.7	4.3	-142	-32.8	0	0	0	112.7
37	D	34.2	Very low	34.6	Very low	131 Å²	131	143.5 Å²	143.5	70%	0.701	76%	0.756	S	S	*	*			trans	62.6	118.8	162.9	-107.2	-52.6	0	0	0	118.4
38	F	32.8	Very low	34.4	Very low	183 Å²	183	144.6 Å²	144.6	80%	0.803	76%	0.757	S	S	*	*				-158.9	135.8	54.9	-154.3	-95.3	0	0	0	112.8
39	E	43.9	Very low	34.1	Very low	160 Å²	160	142.5 Å²	142.5	75%	0.748	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-92.6	159.5	-174.8	-94.7	-90.2	114	0	0	114.9
40	P	44.5	Very low	34	Very low	97 Å²	97	144 Å²	144	63%	0.63	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-90.6	149.8	173.7	36.2	-32.5	0	0	0	113.5	L42	P40-L42 PolarHBondContact O-N 3.43Å
41	Y	35.3	Very low	33.7	Very low	229 Å²	229	141 Å²	141	90%	0.898	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-80.6	121.4	-178.2	-88.6	-86.6	0	0	0	115.2
42	L	36.3	Very low	33.6	Very low	152 Å²	152	144.5 Å²	144.5	80%	0.796	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-51.9	168.9	155.3	-69.5	163.2	0	0	0	113	P40	P40-L42 PolarHBondContact O-N 3.43Å
43	S	32.6	Very low	34.7	Very low	98 Å²	98	146.2 Å²	146.2	69%	0.685	78%	0.779	S	S	*	*			cis	-178.5	168.5	-21.1	61.7	0	0	0	0	109
44	S	31.2	Very low	35.6	Very low	123 Å²	123	144.9 Å²	144.9	86%	0.86	77%	0.774	S	S	*	*			trans	179.3	159.5	142	37.2	0	0	0	0	113
45	Q	32.7	Very low	35.8	Very low	181 Å²	181	148.1 Å²	148.1	85%	0.846	79%	0.787	S	S	*	*			trans	-111	160.6	-176	-56.6	168.2	-37	0	0	111.8
46	T	32.8	Very low	35.7	Very low	145 Å²	145	146.9 Å²	146.9	89%	0.89	79%	0.789	S	S	*	*				-173.5	162.6	115.9	19.9	0	0	0	0	113.3
47	N	32.1	Very low	35.9	Very low	143 Å²	143	147.1 Å²	147.1	77%	0.765	79%	0.79	S	S	*	*			trans	-93.8	155	-179.1	-69.1	-83.8	0	0	0	112.8
48	Q	32.5	Very low	36.4	Very low	196 Å²	196	146.3 Å²	146.3	92%	0.916	79%	0.792	S	S	*	*				-175	179.4	114.1	-100.8	168.6	97.1	0	0	114.1
49	S	30.2	Very low	36.4	Very low	106 Å²	106	148.3 Å²	148.3	74%	0.741	80%	0.796	S	S	*	*			trans	-130.9	-173	-152.3	-45.8	0	0	0	0	114.3
50	N	29.7	Very low	36.2	Very low	155 Å²	155	148.5 Å²	148.5	83%	0.829	80%	0.799	S	S	*	*			trans	80.1	157.9	173	-71.3	-31.9	0	0	0	118.1
51	S	30	Very low	36.4	Very low	104 Å²	104	149.1 Å²	149.1	73%	0.727	80%	0.803	S	S	*	*			cis	-169.7	160.5	-34.8	-97.2	0	0	0	0	111
52	Y	31.1	Very low	36.1	Very low	227 Å²	227	143.5 Å²	143.5	89%	0.89	80%	0.797	S	S	*	*			trans	-75	-176.8	172.7	-84.6	-80.8	0	0	0	113.2
53	P	55.7	Low	36	Very low	112 Å²	112	146.3 Å²	146.3	73%	0.727	80%	0.799	S	S	*	*			cis	-124.1	-138.9	-1.8	38.2	-15.7	0	0	0	110.8
54	P	52.7	Low	36.1	Very low	105 Å²	105	152.3 Å²	152.3	68%	0.682	81%	0.808	S	S	*	*			cis	-136.9	-176.1	-20.9	42.6	-24.7	0	0	0	116.9
55	M	31.8	Very low	36.2	Very low	184 Å²	184	150.6 Å²	150.6	91%	0.906	80%	0.801	S	S	*	*			trans	68.2	148.3	153.9	-78	-176.9	180	0	0	121
56	S	34.8	Very low	36.9	Very low	110 Å²	110	148.3 Å²	148.3	77%	0.769	80%	0.802	S	S	*	*			cis	-154	162.8	-7.2	46.3	0	0	0	0	112.7
57	D	37.1	Very low	37.1	Very low	148 Å²	148	146.6 Å²	146.6	79%	0.791	80%	0.796	S	S	*	*			trans	-115.6	137.5	176.7	170	44.6	0	0	0	111
58	P	45.2	Very low	37.4	Very low	114 Å²	114	147.7 Å²	147.7	74%	0.74	80%	0.8	S	S	*	*			trans	-128.8	136.4	163.4	24.6	-4	0	0	0	116
59	Y	32.8	Very low	37.4	Very low	226 Å²	226	141.1 Å²	141.1	89%	0.886	79%	0.785	S	S	*	*			trans	-54.8	164.9	177.6	-138.5	-116.1	0	0	0	116.9
60	M	38.9	Very low	37.6	Very low	164 Å²	164	145.3 Å²	145.3	81%	0.808	79%	0.79	S	S	*	*			trans	-79.2	-176	177.9	-44.3	-159.2	82.4	0	0	113.2
61	P	48.3	Very low	38	Very low	110 Å²	110	143.4 Å²	143.4	71%	0.714	79%	0.787	S	S	*	*			cis	-140.5	169.6	-1.8	42.5	-24.8	0	0	0	117.9
62	S	29.7	Very low	38.1	Very low	111 Å²	111	149 Å²	149	78%	0.776	79%	0.793	S	S	*	*			trans	-167.3	130.7	151.9	-82.1	0	0	0	0	109.2
63	Y	34.8	Very low	38.1	Very low	210 Å²	210	144.1 Å²	144.1	82%	0.824	79%	0.793	S	S	*	*				77	125.2	70.3	-97.2	-83.6	0	0	0	115.6
64	Y	34.9	Very low	37.3	Very low	225 Å²	225	147.1 Å²	147.1	88%	0.882	80%	0.801	S	S	*	*			trans	70.9	140.7	-179.3	-76.5	-83.7	0	0	0	119.5
65	A	32.8	Very low	36.3	Very low	86 Å²	86	145 Å²	145	71%	0.711	80%	0.798	S	S	*	*			trans	-109.7	169.4	167	0	0	0	0	0	109.5
66	P	46.4	Very low	36.2	Very low	133 Å²	133	145.7 Å²	145.7	86%	0.864	80%	0.8	S	S	*	*				-135.3	167	120.3	37.8	-29	0	0	0	114.7
67	S	38.4	Very low	36.2	Very low	109 Å²	109	144.7 Å²	144.7	76%	0.762	80%	0.798	S	S	*	*			trans	-81.4	139.2	-173.6	51.7	0	0	0	0	115.5
68	I	38	Very low	36.5	Very low	166 Å²	166	142 Å²	142	85%	0.851	80%	0.796	S	S	*	*			trans	-169.9	145	147.6	-91.9	142.3	0	0	0	105.3
69	G	31.6	Very low	35.9	Very low	59 Å²	59	148 Å²	148	61%	0.608	80%	0.804	S	S	*	*			cis	145.4	84.5	-1.3	0	0	0	0	0	110.9
70	F	34.7	Very low	36.2	Very low	193 Å²	193	141.8 Å²	141.8	85%	0.846	79%	0.794	S	S	*	*			trans	-135.8	151.9	-179.9	-75.8	-70.2	0	0	0	112.3
71	P	38.4	Very low	35.9	Very low	116 Å²	116	140.6 Å²	140.6	75%	0.753	80%	0.796	S	S	*	*			trans	-89.1	157.5	-157.8	34.6	-37.4	0	0	0	115.4
72	Y	31.1	Very low	35	Very low	220 Å²	220	140.2 Å²	140.2	86%	0.863	80%	0.802	S	S	*	*			trans	-72.2	155.7	162	-81.8	-99.9	0	0	0	111.4
73	S	31.7	Very low	34.9	Very low	126 Å²	126	138.8 Å²	138.8	88%	0.881	81%	0.805	S	S	*	*			trans	-133	101.2	157.5	-70	0	0	0	0	109
74	L	39.2	Very low	34.7	Very low	174 Å²	174	135.5 Å²	135.5	91%	0.911	80%	0.802	S	S	*	*			trans	-139.9	131.7	172.2	-163.4	79.1	0	0	0	109.6
75	G	31.8	Very low	34.7	Very low	60 Å²	60	131.9 Å²	131.9	62%	0.619	79%	0.793	S	S	*	*			trans	169.1	117.9	179.3	0	0	0	0	0	105.5
76	E	30.6	Very low	35.7	Very low	200 Å²	200	132.3 Å²	132.3	94%	0.935	79%	0.788	S	S	*	*				63.4	136.3	63.3	-60.4	-160.1	155.4	0	0	112.7
77	A	34.7	Very low	35.3	Very low	88 Å²	88	134 Å²	134	73%	0.727	79%	0.786	S	S	*	*			cis	-140.6	-175.4	12	0	0	0	0	0	112.7
78	A	42.6	Very low	35.8	Very low	91 Å²	91	132.6 Å²	132.6	75%	0.752	78%	0.775	S	S	*	*			trans	-122.5	135.4	178.5	0	0	0	0	0	112.5
79	W	32.6	Very low	35.7	Very low	241 Å²	241	134.4 Å²	134.4	91%	0.913	77%	0.772	S	S	*	*			trans	-152.6	170.6	176.5	-72.3	75.1	0	0	0	109.7
80	S	38.9	Very low	35.8	Very low	96 Å²	96	138.7 Å²	138.7	67%	0.671	78%	0.781	S	S	*	*				-168.3	132.9	-76.1	-92.5	0	0	0	0	112.7
81	T	33.4	Very low	35.5	Very low	138 Å²	138	134.9 Å²	134.9	85%	0.847	77%	0.773	S	S	*	*			trans	67	147.1	149.3	-29.4	0	0	0	0	122.5
82	A	28.3	Very low	35.1	Very low	103 Å²	103	134.1 Å²	134.1	85%	0.851	77%	0.767	S	S	*	*			trans	100	135	144.9	0	0	0	0	0	120.7
83	G	28.2	Very low	35.2	Very low	81 Å²	81	134.7 Å²	134.7	84%	0.835	77%	0.769	S	S	*	*			trans	141.8	106.1	175	0	0	0	0	0	112.1
84	D	30	Very low	35.2	Very low	141 Å²	141	131.6 Å²	131.6	75%	0.754	76%	0.757	S	S	*	*			trans	-148.7	175.6	-168.3	-177.2	30.5	0	0	0	112.2
85	Q	36	Very low	35	Very low	149 Å²	149	131.5 Å²	131.5	70%	0.696	75%	0.752	S	S	*	*			trans	88	154.3	164.9	-59.2	-70.2	-67.9	0	0	118.5
86	P	53.6	Low	35.1	Very low	95 Å²	95	136.1 Å²	136.1	62%	0.617	76%	0.759	S	S	*	*			cis	-152.1	-173.3	-39.2	44.5	-27.3	0	0	0	118.1
87	M	37.1	Very low	35.1	Very low	167 Å²	167	131.5 Å²	131.5	82%	0.823	75%	0.749	S	S	*	*			trans	73.7	163.4	152.5	-70.5	-62.8	-105.6	0	0	121
88	P	49.1	Very low	35	Very low	80 Å²	80	134.6 Å²	134.6	52%	0.519	75%	0.753	S	S	.	*			cis	-121.2	176.4	-34.7	23.7	-0.8	0	0	0	111.5
89	Y	36	Very low	34.5	Very low	204 Å²	204	134 Å²	134	80%	0.8	76%	0.756	S	S	*	*				-162	151.5	51.1	-76.2	-90.6	0	0	0	108.2
90	L	33.7	Very low	34.2	Very low	149 Å²	149	130.8 Å²	130.8	78%	0.78	75%	0.751	S	S	*	*				63.3	131.8	63	-70.3	171.4	0	0	0	115.9
91	T	28.8	Very low	33.9	Very low	113 Å²	113	134.9 Å²	134.9	69%	0.693	76%	0.76	S	S	*	*			cis	-167.6	162.7	-6.5	-157	0	0	0	0	116.5
92	T	29.8	Very low	34.1	Very low	101 Å²	101	136.7 Å²	136.7	62%	0.62	76%	0.758	S	S	*	*			trans	46.1	125.5	148	-52.3	0	0	0	0	125.4
93	Y	32.4	Very low	34.5	Very low	232 Å²	232	142.6 Å²	142.6	91%	0.91	76%	0.76	S	S	*	*				164	145.4	120.2	-96.4	-72	0	0	0	110
94	G	32.6	Very low	34.8	Very low	60 Å²	60	146.2 Å²	146.2	62%	0.619	76%	0.758	S	S	*	*			cis	154.2	141.3	-14.4	0	0	0	0	0	113.5
95	Q	34.8	Very low	35.7	Very low	172 Å²	172	145.3 Å²	145.3	80%	0.804	76%	0.76	S	S	*	*			trans	69.3	152	165.1	-74.5	-77	-82.9	0	0	117.3
96	M	34	Very low	35.6	Very low	157 Å²	157	145.6 Å²	145.6	77%	0.773	77%	0.767	S	S	*	*			cis	-144.1	142.6	1.3	-57	-173.2	178.5	0	0	109
97	S	31.1	Very low	34.6	Very low	103 Å²	103	144.5 Å²	144.5	72%	0.72	77%	0.772	S	S	*	*				91.2	147.7	77.8	-162	0	0	0	0	117.3
98	N	32	Very low	34.6	Very low	154 Å²	154	142.6 Å²	142.6	82%	0.824	77%	0.77	S	S	*	*			trans	83.5	126.6	174.1	-53.3	9.7	0	0	0	116.6
99	G	32.1	Very low	33.8	Very low	79 Å²	79	148.4 Å²	148.4	81%	0.814	79%	0.787	S	S	*	*			cis	131.6	107.3	-19.3	0	0	0	0	0	115.4
100	E	26.9	Very low	33.6	Very low	172 Å²	172	142.9 Å²	142.9	80%	0.804	78%	0.778	S	S	*	*			trans	-158.5	150	166.2	-160.8	143.4	-131.7	0	0	111.3
101	H	33	Very low	33.7	Very low	183 Å²	183	144.2 Å²	144.2	85%	0.847	78%	0.781	S	S	*	*			trans	-130.2	146.8	-177.5	-79.9	-106.8	0	0	0	111.1
102	H	36	Very low	34.9	Very low	175 Å²	175	144.5 Å²	144.5	81%	0.81	78%	0.784	S	S	*	*			trans	-133.8	144.5	170.6	-78.6	76.3	0	0	0	111
103	Y	36.4	Very low	35.1	Very low	228 Å²	228	143 Å²	143	89%	0.894	79%	0.789	S	S	*	*			trans	-113.5	155	-170	-122.4	-93	0	0	0	111.6
104	I	35.8	Very low	35.4	Very low	156 Å²	156	136.5 Å²	136.5	80%	0.8	78%	0.783	S	S	*	*			trans	-135	134.5	168.2	-65	-178.5	0	0	0	109.2
105	P	48.8	Very low	35.6	Very low	122 Å²	122	142.3 Å²	142.3	79%	0.792	80%	0.799	S	S	*	*			trans	-96.1	163	169.5	37.1	-32.6	0	0	0	113.3
106	D	33	Very low	35.3	Very low	156 Å²	156	137.4 Å²	137.4	83%	0.834	79%	0.794	S	S	*	*			trans	-100.9	167.8	-173.7	-172.4	20.4	0	0	0	113.4
107	G	33.9	Very low	35.2	Very low	71 Å²	71	138 Å²	138	73%	0.732	80%	0.801	S	S	*	*			trans	-164.4	114.9	-179.8	0	0	0	0	0	115.3
108	V	35.5	Very low	35.2	Very low	127 Å²	127	139.3 Å²	139.3	77%	0.77	81%	0.805	S	S	*	*			trans	-103.9	146.3	-164.1	-76.3	0	0	0	0	117.3
109	F	32.4	Very low	36.6	Very low	203 Å²	203	137.4 Å²	137.4	89%	0.89	80%	0.801	S	S	*	*			trans	179.3	157.8	152.1	-121.8	-129.8	0	0	0	109.2
110	S	31.9	Very low	38.2	Very low	88 Å²	88	138.3 Å²	138.3	62%	0.615	79%	0.792	S	S	*	*			cis	-167.7	-175	-23	-102.5	0	0	0	0	110.2
111	Q	36.2	Very low	38.6	Very low	177 Å²	177	139.3 Å²	139.3	83%	0.827	79%	0.794	S	S	*	*			trans	-142.2	-167.8	-179.6	-124.4	-154.3	28.6	0	0	111.2
112	P	53.3	Low	38.7	Very low	118 Å²	118	137.1 Å²	137.1	77%	0.766	79%	0.788	S	S	*	*			cis	-145.2	172.6	17	42.7	-21.8	0	0	0	121.1
113	G	34.4	Very low	38.5	Very low	71 Å²	71	132 Å²	132	73%	0.732	78%	0.782	S	S	*	*			trans	88.1	171.8	147.9	0	0	0	0	0	121.8
114	A	38.7	Very low	38.5	Very low	94 Å²	94	128.8 Å²	128.8	78%	0.777	78%	0.775	S	S	*	*			cis	-174.9	139.1	-29.6	0	0	0	0	0	115.4
115	L	36.9	Very low	38.4	Very low	183 Å²	183	128.5 Å²	128.5	96%	0.958	77%	0.77	S	S	*	*			trans	61.4	166	158.5	-60.4	174.7	0	0	0	121
116	G	29.9	Very low	37.5	Very low	68 Å²	68	126 Å²	126	70%	0.701	77%	0.768	S	S	*	*			cis	168.9	148.2	-15.3	0	0	0	0	0	117.7
117	N	31.9	Very low	37.7	Very low	171 Å²	171	127.9 Å²	127.9	91%	0.914	77%	0.768	S	S	*	*			trans	70.7	164.7	163.5	-79	13.5	0	0	0	124.8
118	T	31.1	Very low	37.6	Very low	130 Å²	130	129.6 Å²	129.6	80%	0.798	76%	0.761	S	S	*	*			trans	-146.4	-167.4	-159.7	63.7	0	0	0	0	112.2
119	P	60.9	Low	37.6	Very low	113 Å²	113	133.8 Å²	133.8	73%	0.734	77%	0.769	S	S	*	*			cis	-122.7	-123.6	-16.3	30.8	-5.2	0	0	0	110.4
120	P	64.7	Low	37.6	Very low	98 Å²	98	132.1 Å²	132.1	64%	0.636	76%	0.762	S	S	*	*			cis	-136.2	-166.9	-33.2	36.7	-14.8	0	0	0	116.4
121	F	36	Very low	38.1	Very low	193 Å²	193	133.9 Å²	133.9	85%	0.846	77%	0.771	S	S	*	*			trans	76.1	146.9	155.2	-85	-42.3	0	0	0	121.8
122	L	34.8	Very low	37.7	Very low	137 Å²	137	128.6 Å²	128.6	72%	0.717	76%	0.764	S	S	*	*			cis	-159.4	138.8	-0.5	-156.6	153.7	0	0	0	114.1
123	G	32.9	Very low	36.6	Very low	67 Å²	67	130.7 Å²	130.7	69%	0.691	77%	0.769	S	S	*	*			trans	86.5	163.8	150.8	0	0	0	0	0	120.6
124	Q	34.5	Very low	36.5	Very low	161 Å²	161	131.6 Å²	131.6	75%	0.752	77%	0.769	S	S	*	*			cis	-161.8	122.1	-8.5	-106.4	-90.8	-17.5	0	0	113
125	H	35.3	Very low	36.1	Very low	150 Å²	150	135.1 Å²	135.1	69%	0.694	78%	0.775	S	S	*	*			trans	42.4	139.5	145.7	-65	-103.3	0	0	0	126.5
126	G	28.6	Very low	35.7	Very low	71 Å²	71	135 Å²	135	73%	0.732	77%	0.768	S	S	*	*			trans	-172.9	145.3	159.2	0	0	0	0	0	110.5
127	F	36.8	Very low	35.8	Very low	194 Å²	194	136.4 Å²	136.4	85%	0.851	77%	0.766	S	S	*	*			trans	-115	156.5	-164	-84.8	-89.4	0	0	0	116.7
128	N	33.7	Very low	35.9	Very low	107 Å²	107	133.6 Å²	133.6	57%	0.572	76%	0.755	S	S	*	*			trans	-91.2	163.2	-177.8	-77.5	22.9	0	0	0	115.1	F130	N128-F130 HydrophobicContact CB-CD2 4.26Å; N128-F130 HydrophobicContact CB-CE2 4.11Å; N128-F130 VanDerWaalsContact ND2-CE2 3.34Å; N128-F130 WeakPolarHBondContact ND2-CE2 3.39Å; N128-F130 WeakPolarHBondContact ND2-CZ 3.46Å
129	F	34.1	Very low	36.1	Very low	215 Å²	215	138.8 Å²	138.8	94%	0.943	76%	0.76	S	S	*	*			trans	-128.4	151.8	140.2	-101.1	-99.3	0	0	0	109.8
130	F	32.8	Very low	34.6	Very low	169 Å²	169	136.2 Å²	136.2	74%	0.741	75%	0.754	S	S	*	*			trans	-125.2	-179.7	-170.4	-84.5	-68.6	0	0	0	110.8	N128	N128-F130 HydrophobicContact CB-CD2 4.26Å; N128-F130 HydrophobicContact CB-CE2 4.11Å; N128-F130 VanDerWaalsContact ND2-CE2 3.34Å; N128-F130 WeakPolarHBondContact ND2-CE2 3.39Å; N128-F130 WeakPolarHBondContact ND2-CZ 3.46Å
131	P	42.3	Very low	32.9	Very low	124 Å²	124	137.3 Å²	137.3	81%	0.805	76%	0.76	S	S	*	*			cis	-114.7	-177.9	-1	39.8	-25	0	0	0	112.6
132	G	28.8	Very low	32.6	Very low	67 Å²	67	133.6 Å²	133.6	69%	0.691	76%	0.758	S	S	*	*			cis	125.6	139.4	20	0	0	0	0	0	107.7
133	N	30.5	Very low	32.4	Very low	162 Å²	162	131 Å²	131	87%	0.866	76%	0.764	S	S	*	*			cis	-126.6	152.5	21.5	-76.1	-12.3	0	0	0	110.6
134	A	32.1	Very low	32.3	Very low	89 Å²	89	133.9 Å²	133.9	74%	0.736	77%	0.773	S	S	*	*			cis	99.8	94.8	33.2	0	0	0	0	0	113.4
135	D	28.6	Very low	32.2	Very low	168 Å²	168	134.1 Å²	134.1	90%	0.898	77%	0.774	S	S	*	*			trans	-62.7	151.1	162.1	-59.3	-82.6	0	0	0	111.2
136	F	29.5	Very low	31.9	Very low	182 Å²	182	130.2 Å²	130.2	80%	0.798	78%	0.775	S	S	*	*			trans	-112.7	136	175.9	-167.5	-93.6	0	0	0	111.7
137	S	31.8	Very low	32.1	Very low	97 Å²	97	134.9 Å²	134.9	68%	0.678	78%	0.777	S	S	*	*			trans	-155.9	146.1	172	-78	0	0	0	0	111.6
138	T	33.3	Very low	31.9	Very low	111 Å²	111	130.5 Å²	130.5	68%	0.681	77%	0.771	S	S	*	*			trans	73.7	126.4	162	-15.3	0	0	0	0	118.8
139	W	35.1	Very low	31.9	Very low	239 Å²	239	130.7 Å²	130.7	91%	0.905	78%	0.776	S	S	*	*				-133.1	146.8	114.1	-74.7	86.7	0	0	0	105.3
140	G	29.6	Very low	31.8	Very low	59 Å²	59	128.7 Å²	128.7	61%	0.608	77%	0.77	S	S	*	*			cis	117.7	147	23.9	0	0	0	0	0	108.5
141	T	30.6	Very low	31.6	Very low	122 Å²	122	125.1 Å²	125.1	75%	0.748	77%	0.766	S	S	*	*			cis	-165	166.4	-3.5	41.3	0	0	0	0	107.7
142	S	29.1	Very low	31.1	Very low	115 Å²	115	125.6 Å²	125.6	80%	0.804	77%	0.772	S	S	*	*			cis	-171.5	145.4	-26.4	-84.6	0	0	0	0	110.2
143	G	29.5	Very low	31.1	Very low	82 Å²	82	126.9 Å²	126.9	85%	0.845	78%	0.776	S	S	*	*			trans	112.2	157.1	161	0	0	0	0	0	117
144	S	31.1	Very low	31	Very low	127 Å²	127	130.4 Å²	130.4	89%	0.888	78%	0.779	S	S	*	*			cis	-143.7	-161.4	-0.3	69.5	0	0	0	0	113.1
145	Q	33.3	Very low	30.9	Very low	166 Å²	166	131 Å²	131	78%	0.776	78%	0.778	S	S	*	*				-152.8	151.2	-123.9	-179.5	-176.1	12.5	0	0	116.1
146	G	29.5	Very low	30.8	Very low	68 Å²	68	127.4 Å²	127.4	70%	0.701	77%	0.766	S	S	*	*			trans	162.9	125.3	154.6	0	0	0	0	0	112.4
147	Q	32.6	Very low	31	Very low	169 Å²	169	124.3 Å²	124.3	79%	0.79	77%	0.767	S	S	*	*			cis	92	146.8	38	-76.6	-155.9	-10.6	0	0	114.8
148	S	32.3	Very low	31.1	Very low	102 Å²	102	129.8 Å²	129.8	71%	0.713	77%	0.774	S	S	*	*			cis	-126.2	-103.5	35.9	59.2	0	0	0	0	119.7
149	T	33.9	Very low	31	Very low	111 Å²	111	127.6 Å²	127.6	68%	0.681	77%	0.773	S	S	*	*			trans	-141.4	177.8	-150.8	50.1	0	0	0	0	111.3
150	Q	30.8	Very low	30.8	Very low	174 Å²	174	126.1 Å²	126.1	81%	0.813	77%	0.769	S	S	*	*			cis	-139.9	155.5	26.8	-75.6	-176.8	9.4	0	0	110.3
151	S	29.1	Very low	31.5	Very low	93 Å²	93	128.7 Å²	128.7	65%	0.65	78%	0.775	S	S	*	*			cis	104	96.4	21.9	82	0	0	0	0	116.2
152	S	31.2	Very low	32.4	Very low	135 Å²	135	128.7 Å²	128.7	94%	0.944	78%	0.777	S	S	*	*			trans	-177.4	161.5	140.9	-82.7	0	0	0	0	110.6
153	A	30	Very low	32.8	Very low	93 Å²	93	128.9 Å²	128.9	77%	0.769	78%	0.779	S	S	*	*			trans	-132.5	146	-174.5	0	0	0	0	0	112.7
154	Y	27.4	Very low	33.2	Very low	236 Å²	236	131.1 Å²	131.1	93%	0.925	78%	0.782	S	S	*	*			trans	-161.1	164.6	139.7	-131.6	-97.1	0	0	0	111.3
155	S	30.6	Very low	33.3	Very low	102 Å²	102	133.7 Å²	133.7	71%	0.713	78%	0.784	S	S	*	*			trans	-87.8	140.7	176	-179.4	0	0	0	0	111.7
156	S	25.7	Very low	33.2	Very low	93 Å²	93	128.9 Å²	128.9	65%	0.65	78%	0.78	S	S	*	*			trans	-156.7	121.6	155.1	-92.1	0	0	0	0	111.9
157	S	35.1	Very low	33.2	Very low	117 Å²	117	137.4 Å²	137.4	82%	0.818	79%	0.791	S	S	*	*			trans	-77.9	145.6	156	48.2	0	0	0	0	109.8
158	Y	33.7	Very low	33.3	Very low	211 Å²	211	132.9 Å²	132.9	83%	0.827	78%	0.782	S	S	*	*			trans	-130	120.6	172	-92.1	-79.4	0	0	0	112.1
159	G	31.3	Very low	33.3	Very low	65 Å²	65	135 Å²	135	67%	0.67	78%	0.783	S	S	*	*			trans	-160.4	121.8	165.8	0	0	0	0	0	108.8
160	Y	31.1	Very low	33.4	Very low	208 Å²	208	136 Å²	136	82%	0.816	79%	0.79	S	S	*	*			trans	-167.1	163.7	-176.5	-91.4	-63.8	0	0	0	109.1
161	P	43.9	Very low	33.5	Very low	113 Å²	113	135.4 Å²	135.4	73%	0.734	79%	0.792	S	S	*	*			cis	-128.7	171.9	-15.2	36.9	-20.9	0	0	0	114.1
162	P	49.7	Very low	33.6	Very low	122 Å²	122	134.2 Å²	134.2	79%	0.792	79%	0.794	S	S	*	*			trans	-97.5	175.3	173.8	38.3	-34.8	0	0	0	114.8
163	S	36.5	Very low	33.7	Very low	119 Å²	119	136.7 Å²	136.7	83%	0.832	79%	0.791	S	S	*	*			trans	-77	162.6	-170.5	-35	0	0	0	0	117
164	S	37.4	Very low	34.1	Very low	130 Å²	130	137.2 Å²	137.2	91%	0.909	80%	0.796	S	S	*	*			trans	-173	-178	134.6	43.7	0	0	0	0	113.5
165	L	34.8	Very low	34.3	Very low	180 Å²	180	129.1 Å²	129.1	94%	0.942	78%	0.784	S	S	*	*			trans	-118.7	141.3	-147.3	-179.3	83.3	0	0	0	114.4
166	G	30	Very low	34.4	Very low	66 Å²	66	134.9 Å²	134.9	68%	0.68	80%	0.796	S	S	*	*			trans	116.5	131.3	132.9	0	0	0	0	0	122
167	R	30.6	Very low	34.8	Very low	247 Å²	247	134 Å²	134	93%	0.932	80%	0.801	S	S	*	*			trans	66.2	156.2	157.3	-80.8	-172.5	168.7	-125.4	-1	118.1
168	A	33.3	Very low	34.6	Very low	73 Å²	73	136 Å²	136	60%	0.603	80%	0.803	S	S	*	*			cis	-165.2	153.4	-10	0	0	0	0	0	113.6
169	I	34.1	Very low	34.6	Very low	146 Å²	146	132.3 Å²	132.3	75%	0.749	80%	0.798	S	S	*	*			trans	58.5	113.4	150	-57.9	157.7	0	0	0	120.8
170	T	35.3	Very low	34.8	Very low	133 Å²	133	134.8 Å²	134.8	82%	0.816	80%	0.8	S	S	*	*				-168.2	123.3	117.6	31.7	0	0	0	0	106.8
171	D	32.7	Very low	34.9	Very low	162 Å²	162	131.8 Å²	131.8	87%	0.866	80%	0.797	S	S	*	*				82.1	135.8	65.2	-149.2	-12.6	0	0	0	113.9
172	G	31.3	Very low	34.5	Very low	67 Å²	67	131.5 Å²	131.5	69%	0.691	80%	0.798	S	S	*	*			trans	136.7	41.5	177.6	0	0	0	0	0	122.9
173	Q	33.2	Very low	33.7	Very low	188 Å²	188	135.2 Å²	135.2	88%	0.879	80%	0.802	S	S	*	*			trans	45.3	108.9	136.8	-168	168.7	-6.3	0	0	124.5
174	A	37.8	Very low	33.8	Very low	104 Å²	104	135.7 Å²	135.7	86%	0.86	80%	0.799	S	S	*	*			trans	58	147.8	134.5	0	0	0	0	0	125
175	G	31.9	Very low	34.3	Very low	66 Å²	66	135.8 Å²	135.8	68%	0.68	80%	0.797	S	S	*	*			trans	162	78.2	158.2	0	0	0	0	0	120.9
176	F	32.5	Very low	34.2	Very low	223 Å²	223	129.7 Å²	129.7	98%	0.978	78%	0.777	S	S	*	*			trans	56	153.5	153.1	-63.7	-81.6	0	0	0	123.2
177	G	33.8	Very low	34.8	Very low	73 Å²	73	134.8 Å²	134.8	75%	0.753	79%	0.787	S	S	*	*			trans	-128.4	-167.8	164.6	0	0	0	0	0	110.9
178	N	31.2	Very low	34.9	Very low	160 Å²	160	127.4 Å²	127.4	86%	0.856	77%	0.773	S	S	*	*			trans	-145.1	161.6	175.2	-160.9	-1.5	0	0	0	110.8
179	D	34.1	Very low	35	Very low	134 Å²	134	129.5 Å²	129.5	72%	0.717	78%	0.783	S	S	*	*			trans	-103	146.9	-145.9	-76.6	-67.4	0	0	0	117.9
180	T	35.6	Very low	35.4	Very low	117 Å²	117	130.2 Å²	130.2	72%	0.718	79%	0.787	S	S	*	*			trans	41	154.1	138.2	75.2	0	0	0	0	121.1
181	L	33.5	Very low	35.5	Very low	144 Å²	144	130.9 Å²	130.9	75%	0.754	78%	0.781	S	S	*	*				-173.7	122.8	50.9	-177.4	72.1	0	0	0	114.6
182	S	34.5	Very low	35.9	Very low	107 Å²	107	131.4 Å²	131.4	75%	0.748	78%	0.778	S	S	*	*			trans	64.7	158.3	157.9	81.2	0	0	0	0	118.7
183	K	32.6	Very low	36.2	Very low	201 Å²	201	131.4 Å²	131.4	87%	0.874	78%	0.778	S	S	*	*			cis	-152.6	151.4	1.2	-143.6	169.1	-174.9	175.6	0	110.1
184	V	39.6	Very low	36.3	Very low	129 Å²	129	130.8 Å²	130.8	78%	0.782	78%	0.777	S	S	*	*			trans	-88	163.6	-179.7	-128.2	0	0	0	0	112.1
185	P	47.8	Very low	36.3	Very low	132 Å²	132	132 Å²	132	86%	0.857	77%	0.774	S	S	*	*				-133.1	170.7	61.3	40.2	-25.7	0	0	0	115
186	G	33.3	Very low	36.4	Very low	51 Å²	51	132.4 Å²	132.4	53%	0.526	78%	0.779	S	S	.	*			cis	158	152.4	-8.1	0	0	0	0	0	113.1
187	I	42.1	Very low	36.5	Very low	173 Å²	173	130.6 Å²	130.6	89%	0.887	78%	0.779	S	S	*	*			trans	58.5	146	163.8	70.5	166.9	0	0	0	119.9
188	S	33.2	Very low	36.5	Very low	93 Å²	93	136.5 Å²	136.5	65%	0.65	78%	0.784	S	S	*	*			cis	-172.1	136	-21.1	50.8	0	0	0	0	112.1
189	S	35.8	Very low	36.9	Very low	116 Å²	116	137 Å²	137	81%	0.811	78%	0.784	S	S	*	*			trans	65.6	161.6	155.1	-44.5	0	0	0	0	117.7
190	I	41.5	Very low	36.7	Very low	162 Å²	162	133.5 Å²	133.5	83%	0.831	78%	0.78	S	S	*	*			cis	-140.1	-176.7	-0.2	-149.8	157	0	0	0	111.6
191	E	37.6	Very low	36.6	Very low	147 Å²	147	131.5 Å²	131.5	69%	0.687	78%	0.783	S	S	*	*			trans	-91.1	173.1	-162.7	-66.3	-177.7	85.6	0	0	116.9
192	Q	41.3	Very low	36.5	Very low	173 Å²	173	132.4 Å²	132.4	81%	0.808	79%	0.789	S	S	*	*			trans	21.5	141.1	139.7	-55.7	175.5	60.8	0	0	119.3
193	G	37.2	Very low	36.4	Very low	67 Å²	67	134.9 Å²	134.9	69%	0.691	79%	0.792	S	S	*	*			cis	147.8	173.7	7.4	0	0	0	0	0	111.5
194	M	35.4	Very low	36.4	Very low	174 Å²	174	132 Å²	132	86%	0.857	79%	0.792	S	S	*	*			trans	75.3	146.9	168	-64.5	-179.6	60.6	0	0	121.7
195	T	38.3	Very low	35.9	Very low	129 Å²	129	130.3 Å²	130.3	79%	0.791	79%	0.792	S	S	*	*			trans	60.5	103.1	152.1	46.6	0	0	0	0	122.2
196	G	33.2	Very low	35.2	Very low	76 Å²	76	129 Å²	129	78%	0.784	79%	0.791	S	S	*	*				77.6	80.8	101.6	0	0	0	0	0	119.1	K198	G196-K198 PolarHBondContact O-N 3.32Å; G196-K198 VanDerWaalsContact O-N 3.08Å
197	L	36	Very low	35	Very low	185 Å²	185	132.3 Å²	132.3	97%	0.969	80%	0.802	S	S	*	*			trans	-72.4	96.1	165.4	-80.4	167.8	0	0	0	111.6
198	K	32.7	Very low	34.4	Very low	197 Å²	197	129.1 Å²	129.1	86%	0.857	79%	0.79	S	S	*	*			trans	-90.2	130.1	165.6	-170.3	-179.2	-178.2	-174.8	0	109.4	G196	G196-K198 PolarHBondContact O-N 3.32Å; G196-K198 VanDerWaalsContact O-N 3.08Å
199	I	40	Very low	34.4	Very low	169 Å²	169	133.5 Å²	133.5	87%	0.867	80%	0.798	S	S	*	*			trans	-76.1	133.9	175.4	-70	173.4	0	0	0	110.4
200	G	29.9	Very low	34.1	Very low	62 Å²	62	133.7 Å²	133.7	64%	0.639	79%	0.794	S	S	*	*			trans	-150	146.5	158.1	0	0	0	0	0	107.5
201	G	33.1	Very low	33.5	Very low	75 Å²	75	132.5 Å²	132.5	77%	0.773	79%	0.794	S	S	*	*			cis	70.9	100.9	16.1	0	0	0	0	0	108.8
202	D	31.2	Very low	33.1	Very low	163 Å²	163	129.1 Å²	129.1	87%	0.872	80%	0.799	S	S	*	*				-148.1	176.1	70.9	-135.2	-36.4	0	0	0	115.6
203	L	33.8	Very low	32.6	Very low	158 Å²	158	127.4 Å²	127.4	83%	0.827	80%	0.8	S	S	*	*			trans	-79.4	140.2	169.4	-70.1	153.3	0	0	0	110.8
204	T	31.1	Very low	32.3	Very low	141 Å²	141	127.9 Å²	127.9	87%	0.865	80%	0.798	S	S	*	*			trans	-105.8	143.8	158.1	49	0	0	0	0	110.5
205	A	29.5	Very low	32.2	Very low	94 Å²	94	127.6 Å²	127.6	78%	0.777	80%	0.799	S	S	*	*			trans	-70.7	151.6	-161.9	0	0	0	0	0	114.4
206	A	32.3	Very low	31.8	Very low	103 Å²	103	125.8 Å²	125.8	85%	0.851	79%	0.791	S	S	*	*			trans	-68.4	134.1	174.8	0	0	0	0	0	112.2
207	V	30.3	Very low	31.7	Very low	122 Å²	122	126.8 Å²	126.8	74%	0.739	79%	0.786	S	S	*	*			trans	-129.5	92.7	173.9	177.8	0	0	0	0	110.8
208	T	29.1	Very low	31.5	Very low	105 Å²	105	123.9 Å²	123.9	64%	0.644	78%	0.781	S	S	*	*			trans	59.1	139.4	148.9	67.6	0	0	0	0	122.2
209	K	32.7	Very low	31.4	Very low	186 Å²	186	118.5 Å²	118.5	81%	0.809	78%	0.782	S	S	*	*			trans	70.3	155	148.8	-66	156.2	-177.4	176.8	0	117
210	T	30.8	Very low	31.3	Very low	119 Å²	119	118.1 Å²	118.1	73%	0.73	78%	0.778	S	S	*	*			cis	-159.8	161.3	-22.5	-92.7	0	0	0	0	108.2
211	V	28.6	Very low	31.5	Very low	137 Å²	137	120.9 Å²	120.9	83%	0.83	78%	0.783	S	S	*	*			trans	-28.7	134.6	166.5	-177.2	0	0	0	0	114.7
212	G	29.8	Very low	31.6	Very low	77 Å²	77	121.4 Å²	121.4	79%	0.794	78%	0.775	S	S	*	*			trans	-169.1	64.2	178.2	0	0	0	0	0	114.9
213	T	29.6	Very low	31.7	Very low	137 Å²	137	121.5 Å²	121.5	84%	0.84	77%	0.773	S	S	*	*			trans	-79.9	135.7	172.4	-49.7	0	0	0	0	111
214	A	31.7	Very low	31.8	Very low	77 Å²	77	117.1 Å²	117.1	64%	0.636	76%	0.76	S	S	*	*				149.3	135	128.8	0	0	0	0	0	114.6
215	L	31.9	Very low	31.8	Very low	167 Å²	167	116.7 Å²	116.7	87%	0.874	76%	0.758	S	S	*	*			trans	61.9	164.2	146.4	-92.8	62.4	0	0	0	117.8
216	S	30.7	Very low	32	Very low	91 Å²	91	118.9 Å²	118.9	64%	0.636	76%	0.756	S	S	*	*			cis	-155	126	-8.6	44	0	0	0	0	108
217	S	30.8	Very low	32	Very low	98 Å²	98	119 Å²	119	69%	0.685	75%	0.751	S	S	*	*				90.5	142.6	100.2	74.7	0	0	0	0	117
218	S	32	Very low	32.4	Very low	123 Å²	123	119.9 Å²	119.9	86%	0.86	76%	0.756	S	S	*	*			trans	72.5	126.7	149.4	-56.3	0	0	0	0	119.4
219	G	30.2	Very low	33.6	Very low	84 Å²	84	120.3 Å²	120.3	87%	0.866	76%	0.761	S	S	*	*			trans	172.7	73.8	176.9	0	0	0	0	0	110.9
220	M	38.7	Very low	34.5	Very low	162 Å²	162	116.2 Å²	116.2	80%	0.798	75%	0.753	S	S	*	*			trans	-93	156.2	-172.5	-74.5	175.2	58.3	0	0	113.3
221	T	33.9	Very low	34.6	Very low	120 Å²	120	117.1 Å²	117.1	74%	0.736	76%	0.758	S	S	*	*			trans	66.3	148.9	149.9	45.2	0	0	0	0	118.6
222	S	34.9	Very low	34.7	Very low	86 Å²	86	115.9 Å²	115.9	60%	0.601	76%	0.756	S	S	*	*			cis	-178.3	164.1	-11.6	50.4	0	0	0	0	112.4
223	I	33.8	Very low	34.9	Very low	164 Å²	164	117.3 Å²	117.3	84%	0.841	75%	0.754	S	S	*	*			trans	72.5	143.1	147	-76.9	158.7	0	0	0	117.7
224	A	35.3	Very low	35	Very low	67 Å²	67	115.5 Å²	115.5	55%	0.554	75%	0.752	S	S	*	*			cis	-170.4	-178.7	-23.5	0	0	0	0	0	111.3
225	T	31.4	Very low	35.4	Very low	131 Å²	131	116.1 Å²	116.1	80%	0.804	76%	0.757	S	S	*	*			trans	78.4	150.6	165.6	79.8	0	0	0	0	116.6
226	N	33.1	Very low	35.8	Very low	140 Å²	140	113.9 Å²	113.9	75%	0.749	75%	0.753	S	S	*	*			cis	-154.8	154.7	7.9	-140.3	-6.8	0	0	0	115.2
227	S	33.5	Very low	36.1	Very low	105 Å²	105	118.8 Å²	118.8	73%	0.734	76%	0.763	S	S	*	*			trans	64.8	154.4	152.6	62.8	0	0	0	0	123.9
228	V	38.5	Very low	36.8	Very low	141 Å²	141	120.3 Å²	120.3	86%	0.855	77%	0.77	S	S	*	*			trans	-161.3	175	178.7	-121.8	0	0	0	0	107.4
229	P	53	Low	37.2	Very low	114 Å²	114	121.3 Å²	121.3	74%	0.74	77%	0.772	S	S	*	*			cis	-131.6	-132.3	-12.9	41.5	-19.6	0	0	0	110.2
230	P	53.1	Low	38.3	Very low	100 Å²	100	122.2 Å²	122.2	65%	0.649	76%	0.764	S	S	*	*			cis	-132.3	172.1	-35.1	39.9	-23.8	0	0	0	116.1
231	V	32.1	Very low	38.8	Very low	139 Å²	139	126.1 Å²	126.1	84%	0.842	77%	0.77	S	S	*	*			trans	52	148.3	165	-97.9	0	0	0	0	119.5
232	S	30.7	Very low	39.7	Very low	110 Å²	110	124.6 Å²	124.6	77%	0.769	77%	0.77	S	S	*	*			cis	-155.5	175.3	-5.4	-148.1	0	0	0	0	106.9
233	S	33.4	Very low	40.4	Very low	108 Å²	108	125 Å²	125	76%	0.755	78%	0.779	S	S	*	*			cis	-153.4	-167.4	10.2	58	0	0	0	0	107.5
234	A	33.3	Very low	41.4	Very low	98 Å²	98	124.5 Å²	124.5	81%	0.81	78%	0.776	S	S	*	*			cis	-147.6	-134.7	8.9	0	0	0	0	0	110.8
235	A	39	Very low	41.8	Very low	90 Å²	90	125.8 Å²	125.8	74%	0.744	79%	0.787	S	S	*	*			trans	-139	158.7	178.1	0	0	0	0	0	113.2
236	P	41.4	Very low	42.6	Very low	120 Å²	120	131.1 Å²	131.1	78%	0.779	79%	0.792	S	S	*	*				-144.7	143.7	100.8	37.4	-22.9	0	0	0	117.6
237	K	35.5	Very low	43.6	Very low	195 Å²	195	134.1 Å²	134.1	85%	0.848	80%	0.799	S	S	*	*			trans	36	119.6	144.9	-58.8	-179.9	-177.3	177	0	121.2
238	P	45	Very low	44.1	Very low	130 Å²	130	135.4 Å²	135.4	84%	0.844	80%	0.804	S	S	*	*			trans	-88.2	144.6	156.5	35	-31.6	0	0	0	112.7
239	T	41.7	Very low	44	Very low	144 Å²	144	133.4 Å²	133.4	88%	0.883	80%	0.803	S	S	*	*			trans	-121.5	107.7	170.1	-60.7	0	0	0	0	109.4
240	S	52.5	Low	43.4	Very low	102 Å²	102	137.8 Å²	137.8	71%	0.713	81%	0.81	S	S	*	*			trans	-156	140.4	169.9	-174.2	0	0	0	0	112.1	A242	S240-A242 VanDerWaalsContact C-N 3.32Å; S240-A242 PolarHBondContact O-N 2.84Å
241	W	48.8	Very low	42.8	Very low	244 Å²	244	138.8 Å²	138.8	92%	0.924	82%	0.817	S	S	*	*	G	3₁₀ helix	trans	-77.3	-10.7	-166.7	-162	-100.5	0	0	0	114.5	A243	W241-A243 VanDerWaalsContact C-N 3.34Å; W241-A243 PolarHBondContact O-N 3.06Å
242	A	53.1	Low	43.4	Very low	88 Å²	88	141 Å²	141	73%	0.727	82%	0.818	S	S	*	*	G	3₁₀ helix	trans	-74.8	-12.3	-167.9	0	0	0	0	0	115.9	S240 I244	S240-A242 VanDerWaalsContact C-N 3.32Å; S240-A242 PolarHBondContact O-N 2.84Å; A242-I244 PolarHBondContact O-N 2.81Å
243	A	49.2	Very low	43.9	Very low	96 Å²	96	141.6 Å²	141.6	79%	0.793	82%	0.819	S	S	*	*	G	3₁₀ helix	trans	-84	-7.4	-166.9	0	0	0	0	0	116	W241	W241-A243 VanDerWaalsContact C-N 3.34Å; W241-A243 PolarHBondContact O-N 3.06Å
244	I	55.9	Low	44.2	Very low	153 Å²	153	146.2 Å²	146.2	79%	0.785	83%	0.826	S	S	*	*	S	Bend	trans	-97.2	-16	-165.7	-65.8	175.4	0	0	0	113.5	A242 R246	A242-I244 PolarHBondContact O-N 2.81Å; I244-R246 PolarHBondContact O-N 2.84Å
245	A	42.7	Very low	44.3	Very low	94 Å²	94	149.8 Å²	149.8	78%	0.777	83%	0.83	S	S	*	*	S	Bend	trans	-95.4	19.6	-164.9	0	0	0	0	0	116.9
246	R	49	Very low	44.1	Very low	242 Å²	242	155.3 Å²	155.3	91%	0.913	84%	0.838	S	S	*	*			trans	-140.4	73.7	-176.3	-66.8	-168.8	179.9	-160	0.1	115.3	I244	I244-R246 PolarHBondContact O-N 2.84Å
247	K	53.1	Low	44.5	Very low	203 Å²	203	155.7 Å²	155.7	88%	0.883	84%	0.84	S	S	*	*			trans	-142.7	137.5	157.7	-70.4	-168.4	178.1	-179.5	0	111
248	P	45.7	Very low	44.3	Very low	132 Å²	132	156.9 Å²	156.9	86%	0.857	85%	0.845	S	S	*	*			trans	-83.9	160.8	-179.1	34	-35.6	0	0	0	113.4
249	A	35.6	Very low	43.6	Very low	100 Å²	100	153.9 Å²	153.9	83%	0.826	84%	0.838	S	S	*	*			trans	-91.9	157.3	-174.3	0	0	0	0	0	114.7
250	K	40	Very low	43.1	Very low	205 Å²	205	154.9 Å²	154.9	89%	0.891	84%	0.838	S	S	*	*			trans	-152.1	169.3	166.8	-106.8	173.3	-177.8	177.7	0	109.7
251	P	41.6	Very low	42.3	Very low	121 Å²	121	157.2 Å²	157.2	79%	0.786	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-91.1	165.4	-134.2	35	-40.3	0	0	0	117.5
252	Q	44.1	Very low	41.5	Very low	186 Å²	186	148.4 Å²	148.4	87%	0.869	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-77.1	145.3	172.9	-69.2	-174.5	-11.1	0	0	113.5
253	P	40.8	Very low	40.6	Very low	123 Å²	123	153.1 Å²	153.1	80%	0.799	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-84.1	159.1	168.2	34.8	-34.1	0	0	0	112.9
254	K	39.2	Very low	39.8	Very low	204 Å²	204	152.2 Å²	152.2	89%	0.887	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-85.4	150.4	179.7	-59.5	168.2	-177	171.2	0	111.4
255	L	35.3	Very low	38.6	Very low	174 Å²	174	148.8 Å²	148.8	91%	0.911	85%	0.846	S	S	*	*			trans	-125.1	150.3	165.5	-69.6	175.5	0	0	0	111.4
256	K	35.6	Very low	38.3	Very low	206 Å²	206	150.3 Å²	150.3	90%	0.896	85%	0.851	S	S	*	*			trans	-138.7	159.5	173.7	-94.6	-166.7	173.5	-172.1	0	110.2
257	P	50	Low	37.8	Very low	128 Å²	128	143.5 Å²	143.5	83%	0.831	85%	0.846	S	S	*	*			trans	-106.6	161.5	-150.2	39.5	-36.6	0	0	0	116.6
258	K	30.5	Very low	37.6	Very low	219 Å²	219	140.4 Å²	140.4	95%	0.952	84%	0.844	S	S	*	*			trans	-166.3	142.7	163.5	-163.9	172.6	-176.5	179.3	0	107.5
259	G	30.8	Very low	38.1	Very low	67 Å²	67	139.3 Å²	139.3	69%	0.691	84%	0.837	S	S	*	*			cis	-169.7	169.8	-6.9	0	0	0	0	0	110.2
260	N	31.7	Very low	38.8	Very low	166 Å²	166	140.3 Å²	140.3	89%	0.888	84%	0.835	S	S	*	*			trans	-62.6	151.5	-168.9	-59.3	6.7	0	0	0	116.2
261	V	35.8	Very low	39.5	Very low	151 Å²	151	136 Å²	136	92%	0.915	83%	0.828	S	S	*	*				-180	141.4	109.9	162.3	0	0	0	0	106.6
262	G	31.6	Very low	40	Very low	59 Å²	59	136 Å²	136	61%	0.608	83%	0.828	S	S	*	*			cis	161.2	144.6	-9.6	0	0	0	0	0	112.1
263	I	35.4	Very low	40.2	Very low	187 Å²	187	135 Å²	135	96%	0.959	83%	0.827	S	S	*	*			trans	68.3	135.5	172.6	-46.1	172.5	0	0	0	115.1
264	G	31.1	Very low	40.1	Very low	76 Å²	76	138 Å²	138	78%	0.784	83%	0.828	S	S	*	*			cis	168.3	142.5	-8.7	0	0	0	0	0	111.9
265	G	32.1	Very low	40.7	Very low	81 Å²	81	136.8 Å²	136.8	84%	0.835	82%	0.824	S	S	*	*			trans	168.9	138.3	178.2	0	0	0	0	0	113.1
266	S	34.6	Very low	40.7	Very low	127 Å²	127	135.6 Å²	135.6	89%	0.888	82%	0.819	S	S	*	*			trans	-99	137.2	-163.6	-59.2	0	0	0	0	115.6
267	A	38.7	Very low	41.5	Very low	99 Å²	99	135 Å²	135	82%	0.818	82%	0.822	S	S	*	*			trans	-152.6	141.3	150.8	0	0	0	0	0	109.2
268	V	49.8	Very low	41.2	Very low	137 Å²	137	136.6 Å²	136.6	83%	0.83	82%	0.823	S	S	*	*			trans	-125.6	128.8	-171.5	178.2	0	0	0	0	111.4
269	P	56.8	Low	41.4	Very low	109 Å²	109	134 Å²	134	71%	0.708	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-91.7	154.7	169.6	35.7	-32.8	0	0	0	112.7
270	P	48.8	Very low	41.7	Very low	121 Å²	121	133.9 Å²	133.9	79%	0.786	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-78.1	159.5	-178.7	32.1	-36	0	0	0	114.1
271	P	55	Low	42	Very low	116 Å²	116	132.3 Å²	132.3	75%	0.753	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-85.1	156.7	-173.7	34.3	-36.7	0	0	0	114.6
272	P	51.9	Low	42	Very low	121 Å²	121	137.1 Å²	137.1	79%	0.786	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-81.9	143.4	179.3	32.9	-35.2	0	0	0	113.7
273	I	49.8	Very low	42.3	Very low	164 Å²	164	141.4 Å²	141.4	84%	0.841	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-81.1	130.8	176.1	-61.9	172.9	0	0	0	110.1
274	K	37	Very low	42.4	Very low	187 Å²	187	139.2 Å²	139.2	81%	0.813	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-90.7	142	173.8	-61.7	178.9	-178.3	177.9	0	110.8
275	H	51.8	Low	42.4	Very low	177 Å²	177	144.1 Å²	144.1	82%	0.819	81%	0.81	S	S	*	*			trans	-129.9	127.4	158.6	53.6	-91.1	0	0	0	109.2
276	N	35.8	Very low	42.3	Very low	149 Å²	149	143.9 Å²	143.9	80%	0.797	81%	0.807	S	S	*	*			trans	-95.8	129.6	173.1	-67.6	9.1	0	0	0	108.4
277	M	52	Low	42.2	Very low	193 Å²	193	143.4 Å²	143.4	95%	0.951	80%	0.804	S	S	*	*			trans	-140.6	139.5	143.1	-83.3	-137.4	-72.1	0	0	108.6
278	N	44	Very low	41.9	Very low	162 Å²	162	145.1 Å²	145.1	87%	0.866	80%	0.804	S	S	*	*			trans	-97	144.1	-171.6	-158.2	18.8	0	0	0	110.3
279	I	34	Very low	41	Very low	165 Å²	165	144.6 Å²	144.6	85%	0.846	80%	0.801	S	S	*	*			trans	-84.6	130	178.4	-162.6	165.5	0	0	0	109.8
280	G	38.9	Very low	39.7	Very low	65 Å²	65	149.1 Å²	149.1	67%	0.67	81%	0.81	S	S	*	*			trans	-124.2	115.5	-174.8	0	0	0	0	0	111.6
281	T	36.7	Very low	38.8	Very low	133 Å²	133	147.2 Å²	147.2	82%	0.816	80%	0.804	S	S	*	*			trans	-69.9	137.2	177.8	47.8	0	0	0	0	112.3
282	W	36.9	Very low	38.6	Very low	252 Å²	252	147.5 Å²	147.5	96%	0.955	81%	0.806	S	S	*	*			trans	-139.9	134.6	157.7	-82.5	99.5	0	0	0	109.8
283	D	37.3	Very low	38.5	Very low	149 Å²	149	146.7 Å²	146.7	80%	0.797	80%	0.801	S	S	*	*			trans	-137.7	177.1	-176.1	-142.8	-44.6	0	0	0	110.4
284	E	37.5	Very low	37.6	Very low	141 Å²	141	144.7 Å²	144.7	66%	0.659	80%	0.796	S	S	*	*			trans	-22.4	122.7	-170.3	-86.1	-158	125.8	0	0	121.2
285	K	30.5	Very low	37.2	Very low	178 Å²	178	144.6 Å²	144.6	77%	0.774	80%	0.798	S	S	*	*				68.1	122.1	108.9	-167.5	-179.3	179.6	-175.5	0	120.1
286	G	31.3	Very low	37.1	Very low	76 Å²	76	141.2 Å²	141.2	78%	0.784	79%	0.792	S	S	*	*			trans	-165.4	153.9	165.9	0	0	0	0	0	112.4
287	S	31.4	Very low	36.9	Very low	117 Å²	117	140.6 Å²	140.6	82%	0.818	79%	0.794	S	S	*	*			trans	-119.9	138	-165	-64.5	0	0	0	0	115.2
288	V	32	Very low	35.8	Very low	136 Å²	136	139 Å²	139	82%	0.824	79%	0.788	S	S	*	*			trans	21.3	133.6	145.7	-156.9	0	0	0	0	120.1
289	V	32.4	Very low	36.5	Very low	125 Å²	125	136.5 Å²	136.5	76%	0.758	78%	0.781	S	S	*	*				155.6	111.9	127.7	163.8	0	0	0	0	114.1
290	K	29.5	Very low	37.5	Very low	205 Å²	205	133.7 Å²	133.7	89%	0.891	77%	0.773	S	S	*	*			trans	64	156.5	139.1	-145.6	170.5	-175.7	179.9	0	122.1
291	A	29	Very low	37.3	Very low	81 Å²	81	138 Å²	138	67%	0.669	78%	0.776	S	S	*	*			trans	-128.4	-172.8	-178.5	0	0	0	0	0	110.2
292	P	50.1	Low	37.1	Very low	122 Å²	122	138.2 Å²	138.2	79%	0.792	78%	0.777	S	S	*	*			cis	-124.3	-132.9	4	31.1	-3.7	0	0	0	110.5
293	P	51	Low	36.9	Very low	104 Å²	104	132.3 Å²	132.3	68%	0.675	76%	0.763	S	S	*	*			cis	-143.3	-179.1	-10.5	40.5	-17.8	0	0	0	119.4
294	T	30.1	Very low	36.7	Very low	121 Å²	121	132.4 Å²	132.4	74%	0.742	76%	0.762	S	S	*	*			trans	52.5	107.3	147.5	49.1	0	0	0	0	124.7
295	Q	29.8	Very low	36.5	Very low	185 Å²	185	133.7 Å²	133.7	86%	0.864	77%	0.768	S	S	*	*				50.1	167.7	116.3	-78.2	-163.8	13.9	0	0	123.2
296	P	48.9	Very low	36.6	Very low	106 Å²	106	133.3 Å²	133.3	69%	0.688	77%	0.769	S	S	*	*			cis	-134.8	-167.1	-7.9	27.3	-2.1	0	0	0	115.9
297	V	31.1	Very low	37.8	Very low	136 Å²	136	134.5 Å²	134.5	82%	0.824	76%	0.763	S	S	*	*			trans	133.6	148.3	143.9	177	0	0	0	0	116.7
298	L	29.8	Very low	38	Very low	159 Å²	159	137 Å²	137	83%	0.832	76%	0.762	S	S	*	*			trans	-127.9	-170.7	-171.5	-78.1	164.3	0	0	0	110.3
299	P	58.1	Low	39.2	Very low	111 Å²	111	135.6 Å²	135.6	72%	0.721	76%	0.755	S	S	*	*			cis	-124.7	-144.7	-14.2	38.7	-17	0	0	0	110.3
300	P	54.8	Low	39.2	Very low	105 Å²	105	136.6 Å²	136.6	68%	0.682	76%	0.755	S	S	*	*			cis	-140	154.5	-11.6	38.1	-17.4	0	0	0	120.3
301	Q	35.4	Very low	39.5	Very low	156 Å²	156	134.1 Å²	134.1	73%	0.729	75%	0.75	S	S	*	*			trans	63.2	158.3	147.3	-62.5	-68.7	-11.3	0	0	120.2
302	T	31.4	Very low	39.7	Very low	137 Å²	137	138.6 Å²	138.6	84%	0.84	76%	0.758	S	S	*	*			cis	-132.7	-167.3	18.1	51.2	0	0	0	0	114.9
303	I	33.8	Very low	39.7	Very low	128 Å²	128	138.3 Å²	138.3	66%	0.656	76%	0.755	S	S	*	*			trans	-141.3	154.4	-152.5	-64.6	162.8	0	0	0	115
304	I	33	Very low	40.1	Very low	152 Å²	152	138.7 Å²	138.7	78%	0.779	76%	0.758	S	S	*	*			trans	168.3	113.5	138.9	-87.3	156.2	0	0	0	110.6
305	Q	33.7	Very low	41.6	Very low	168 Å²	168	137.9 Å²	137.9	79%	0.785	76%	0.755	S	S	*	*				69.8	111.5	84.7	-104.4	177.3	90.7	0	0	116.1
306	Q	32.4	Very low	41.8	Very low	170 Å²	170	136.9 Å²	136.9	79%	0.794	75%	0.754	S	S	*	*				91.2	161.8	57.3	-106.9	-160.3	16.5	0	0	115
307	P	56.4	Low	41.2	Very low	100 Å²	100	137.7 Å²	137.7	65%	0.649	76%	0.757	S	S	*	*			cis	-144.3	158.4	-0.8	40.7	-20.6	0	0	0	121
308	Q	36.1	Very low	41.3	Very low	171 Å²	171	140 Å²	140	80%	0.799	76%	0.759	S	S	*	*			trans	60.6	167.2	136.1	-78.1	-157	-3.8	0	0	125.2
309	P	56	Low	41.6	Very low	105 Å²	105	137.4 Å²	137.4	68%	0.682	75%	0.754	S	S	*	*			cis	-126.1	-150.1	-5.8	38.2	-17.3	0	0	0	112.7
310	L	31.8	Very low	40.2	Very low	146 Å²	146	141.2 Å²	141.2	76%	0.764	76%	0.762	S	S	*	*			cis	-156.5	124.5	-6.6	-160	94.8	0	0	0	113.8
311	I	36.1	Very low	39.1	Very low	153 Å²	153	144 Å²	144	79%	0.785	77%	0.77	S	S	*	*			trans	35.1	156.2	134.6	-49	177.8	0	0	0	124.5
312	Q	34.2	Very low	40.1	Very low	176 Å²	176	141.7 Å²	141.7	82%	0.822	77%	0.769	S	S	*	*			trans	-118.3	-147	-171.9	-48.8	175.8	-11.2	0	0	111.5
313	P	50.3	Low	40.1	Very low	115 Å²	115	143.1 Å²	143.1	75%	0.747	77%	0.766	S	S	*	*			cis	-135.3	-113.1	3	34.2	-4	0	0	0	117.6
314	P	59.2	Low	40.1	Very low	112 Å²	112	145.5 Å²	145.5	73%	0.727	78%	0.775	S	S	*	*			trans	-139.8	-138.8	-144.3	47	-21.4	0	0	0	114.9
315	P	61.1	Low	40.1	Very low	105 Å²	105	146.3 Å²	146.3	68%	0.682	78%	0.775	S	S	*	*			cis	-133.1	-169.7	-42.5	40.2	-22.1	0	0	0	116.1
316	L	33.6	Very low	40.4	Very low	163 Å²	163	144.5 Å²	144.5	85%	0.853	78%	0.778	S	S	*	*			trans	91.4	176.6	151.9	-72.5	173.5	0	0	0	122.7
317	V	37.7	Very low	40.4	Very low	123 Å²	123	144.9 Å²	144.9	75%	0.745	78%	0.78	S	S	*	*			trans	-128.3	165.5	-146	-66.1	0	0	0	0	116.1
318	Q	33.1	Very low	40.7	Very low	185 Å²	185	145 Å²	145	86%	0.864	78%	0.781	S	S	*	*				159.8	-171.9	128.5	-160.9	148.5	1.6	0	0	113
319	S	34.6	Very low	40.9	Very low	104 Å²	104	142.8 Å²	142.8	73%	0.727	78%	0.781	S	S	*	*			trans	-139.7	161.7	-152.4	-23.9	0	0	0	0	115.7
320	Q	30.2	Very low	39.9	Very low	191 Å²	191	146.6 Å²	146.6	89%	0.893	79%	0.79	S	S	*	*			trans	157.4	179.8	138.4	-83.4	-176.8	26.6	0	0	116
321	L	32	Very low	40.7	Very low	163 Å²	163	144.6 Å²	144.6	85%	0.853	79%	0.786	S	S	*	*			trans	-95.6	-167	-168.1	-77.4	107.5	0	0	0	114.4
322	P	54.8	Low	40.5	Very low	109 Å²	109	144.4 Å²	144.4	71%	0.708	78%	0.781	S	S	*	*			cis	-140.8	178.2	-5.9	29	-3.9	0	0	0	119.5
323	Q	33.2	Very low	40.4	Very low	166 Å²	166	143.5 Å²	143.5	78%	0.776	78%	0.777	S	S	*	*			trans	92.5	135.5	137.9	-98.3	-167.9	25.2	0	0	127.2
324	Q	31.9	Very low	39.6	Very low	179 Å²	179	146.4 Å²	146.4	84%	0.836	78%	0.781	S	S	*	*			trans	83.7	171.6	148.7	-65.8	-164.5	61.9	0	0	123.6
325	Q	33.5	Very low	38.4	Very low	169 Å²	169	150.3 Å²	150.3	79%	0.79	79%	0.789	S	S	*	*			trans	-130.2	164.2	-140	-135.7	177.6	11.1	0	0	114
326	P	40.8	Very low	36.9	Very low	129 Å²	129	148.7 Å²	148.7	84%	0.838	79%	0.791	S	S	*	*				-151.7	-149.7	88.8	40.4	-18.5	0	0	0	116.2
327	Q	31	Very low	37.3	Very low	179 Å²	179	147.2 Å²	147.2	84%	0.836	79%	0.792	S	S	*	*			trans	-131.8	-174.2	-155.5	-111.2	-154.5	-25.9	0	0	116.4
328	P	63.3	Low	37.2	Very low	103 Å²	103	150.4 Å²	150.4	67%	0.669	80%	0.799	S	S	*	*			trans	-128.9	-164.8	-143	48.2	-33.1	0	0	0	117
329	P	41.7	Very low	37.5	Very low	124 Å²	124	147.6 Å²	147.6	81%	0.805	80%	0.796	S	S	*	*			trans	-134.2	170.8	147.2	37.6	-23.1	0	0	0	116.3
330	Q	34.2	Very low	37.5	Very low	185 Å²	185	152.2 Å²	152.2	86%	0.864	81%	0.807	S	S	*	*			trans	-100.3	-169.9	176.5	-65	-170.8	-30.2	0	0	111.2
331	P	48.3	Very low	37.6	Very low	104 Å²	104	148 Å²	148	68%	0.675	80%	0.804	S	S	*	*			cis	-150.9	-177.5	8.6	48.4	-27.8	0	0	0	120.7
332	Q	31.8	Very low	37.5	Very low	148 Å²	148	149 Å²	149	69%	0.692	81%	0.805	S	S	*	*			trans	80.6	113.6	136.1	-164.1	163.3	1.4	0	0	125.5
333	Q	32.3	Very low	36.6	Very low	158 Å²	158	149.6 Å²	149.6	74%	0.738	81%	0.808	S	S	*	*			trans	57.2	161.1	143.2	-66.6	166	-8.3	0	0	120
334	Q	32.9	Very low	36.6	Very low	176 Å²	176	150.3 Å²	150.3	82%	0.822	81%	0.811	S	S	*	*			cis	-145.2	-151.8	19.6	-148.6	172.2	38.5	0	0	113.7
335	Q	35.5	Very low	36.6	Very low	193 Å²	193	151.5 Å²	151.5	90%	0.902	82%	0.817	S	S	*	*			trans	-96.4	164.7	-157.8	-66.4	171.3	-26.3	0	0	117.2
336	G	29.2	Very low	36.6	Very low	71 Å²	71	150 Å²	150	73%	0.732	82%	0.819	S	S	*	*			trans	-152.7	151.1	162.9	0	0	0	0	0	112.6
337	P	40.8	Very low	36.1	Very low	133 Å²	133	152.4 Å²	152.4	86%	0.864	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-98.1	166.7	-166.1	37.7	-37	0	0	0	116.6
338	Q	36.8	Very low	36.3	Very low	190 Å²	190	150 Å²	150	89%	0.888	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-91.6	152.8	176.3	-65.5	-177.8	-58.3	0	0	114.2
339	P	39.1	Very low	34.7	Very low	125 Å²	125	154.1 Å²	154.1	81%	0.812	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-92.2	158.3	158.8	35.9	-31.1	0	0	0	112.9
340	Q	33.4	Very low	34.2	Very low	202 Å²	202	156.8 Å²	156.8	94%	0.944	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-92.5	164.2	-178.4	-64.4	172	-56.9	0	0	113.4
341	A	32.8	Very low	34	Very low	102 Å²	102	157 Å²	157	84%	0.843	83%	0.831	S	S	*	*			trans	-128.6	151.1	171.8	0	0	0	0	0	111.8
342	Q	30.8	Very low	33.2	Very low	185 Å²	185	160.2 Å²	160.2	86%	0.864	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-87.8	147	-178.3	-69.8	178.1	-25.3	0	0	112.9
343	P	36.5	Very low	33.2	Very low	121 Å²	121	161 Å²	161	79%	0.786	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-83.7	148.3	176.8	34.1	-34.6	0	0	0	112.8
344	H	32.5	Very low	33.4	Very low	181 Å²	181	161 Å²	161	84%	0.838	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-97.2	149.2	162.3	-85.7	47.3	0	0	0	110.6
345	Q	32.3	Very low	33.5	Very low	203 Å²	203	159.9 Å²	159.9	95%	0.949	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-72.8	146.4	176.6	-66.8	-178.9	-10.9	0	0	111.8
346	V	32.9	Very low	33.6	Very low	137 Å²	137	161 Å²	161	83%	0.83	84%	0.841	S	S	*	*			trans	-129.1	127.6	172.6	-174.8	0	0	0	0	108.8
347	Q	29.5	Very low	34	Very low	181 Å²	181	164.8 Å²	164.8	85%	0.846	83%	0.834	S	S	*	*			trans	-78	139	176.1	-71.1	178.6	-23.1	0	0	111	Q349	Q347-Q349 PolarHBondContact O-N 3.24Å
348	P	35.3	Very low	34.1	Very low	127 Å²	127	162.6 Å²	162.6	83%	0.825	82%	0.818	S	S	*	*			trans	-75.7	114	178.9	29.7	-33.5	0	0	0	111.4	Q350	P348-Q350 PolarHBondContact O-N 3.04Å
349	Q	29.4	Very low	34.1	Very low	191 Å²	191	155.2 Å²	155.2	89%	0.893	79%	0.789	S	S	*	*			trans	-78.2	118.6	171.1	-169.5	172.7	26.6	0	0	109.8	Q347 Q351	Q347-Q349 PolarHBondContact O-N 3.24Å; Q349-Q351 PolarHBondContact O-N 3.28Å; Q349-Q351 VanDerWaalsContact O-N 3.14Å
350	Q	31.8	Very low	33.9	Very low	179 Å²	179	154.9 Å²	154.9	84%	0.836	79%	0.787	S	S	*	*			trans	-63.3	115.2	178.5	-75.5	-175.8	-17.3	0	0	111.3	P348 Q352	P348-Q350 PolarHBondContact O-N 3.04Å; Q350-Q352 PolarHBondContact O-N 3.25Å
351	Q	29.5	Very low	34.7	Very low	189 Å²	189	154.5 Å²	154.5	88%	0.883	78%	0.777	S	S	*	*			trans	-92	97.6	179.3	-162.2	164.4	33.4	0	0	109.8	Q349 L353	Q349-Q351 PolarHBondContact O-N 3.28Å; Q349-Q351 VanDerWaalsContact O-N 3.14Å; Q351-L353 PolarHBondContact O-N 3.38Å
352	Q	32	Very low	34.9	Very low	172 Å²	172	157.3 Å²	157.3	80%	0.804	78%	0.778	S	S	*	*			trans	-68.5	118.7	178.4	-72.3	-175.1	-22.9	0	0	111	Q350 Q354	Q350-Q352 PolarHBondContact O-N 3.25Å; Q352-Q354 PolarHBondContact O-N 2.68Å
353	L	32.4	Very low	35.4	Very low	164 Å²	164	160 Å²	160	86%	0.859	78%	0.78	S	S	*	*			trans	-68.2	107.9	172.3	-75.2	158.3	0	0	0	109.7	Q351 N355	Q351-L353 PolarHBondContact O-N 3.38Å; L353-N355 PolarHBondContact O-N 3.28Å
354	Q	36.6	Very low	35	Very low	160 Å²	160	157.3 Å²	157.3	75%	0.748	77%	0.774	S	S	*	*			trans	-79.8	113.6	170.5	-72.3	-175.8	-53	0	0	109.7	Q352 R356	Q352-Q354 PolarHBondContact O-N 2.68Å; Q354-R356 PolarHBondContact O-N 2.94Å
355	N	34.6	Very low	35	Very low	152 Å²	152	153.3 Å²	153.3	81%	0.813	77%	0.772	S	S	*	*			trans	-64.8	100.3	176.7	-77.5	-8.6	0	0	0	110.7	L353 W357	L353-N355 PolarHBondContact O-N 3.28Å; N355-W357 PolarHBondContact O-N 3.45Å
356	R	38.4	Very low	35	Very low	215 Å²	215	147.3 Å²	147.3	81%	0.811	77%	0.765	S	S	*	*			trans	-65.8	96.6	171.4	179	176.7	171.9	-105.8	-2.5	109.7	Q354 V358	Q354-R356 PolarHBondContact O-N 2.94Å; R356-V358 HydrophobicContact CG-CG2 4.21Å
357	W	36	Very low	35.2	Very low	151 Å²	151	151.1 Å²	151.1	57%	0.572	77%	0.771	S	S	*	*			trans	-62.9	143.4	167.5	-138.5	80.7	0	0	0	109.5	N355 A359 H568	N355-W357 PolarHBondContact O-N 3.45Å; W357-A359 HydrophobicContact CZ3-CB 4.28Å; W357-H568 AromaticContact CD2-CE1 3.85Å
358	V	42.5	Very low	35.2	Very low	88 Å²	88	150.6 Å²	150.6	53%	0.533	77%	0.774	S	S	.	*			trans	-135	111.7	177.8	179.6	0	0	0	0	107.2	R356	R356-V358 HydrophobicContact CG-CG2 4.21Å
359	A	37.1	Very low	35.2	Very low	35 Å²	35	153.2 Å²	153.2	29%	0.289	78%	0.775	S	S	.	*			trans	-57.7	138.3	179.2	0	0	0	0	0	111.3	W357 R361	W357-A359 HydrophobicContact CZ3-CB 4.28Å; A359-R361 VanDerWaalsContact C-N 3.35Å; A359-R361 PolarHBondContact O-N 2.7Å
360	P	35.3	Very low	35.3	Very low	117 Å²	117	151.3 Å²	151.3	76%	0.76	77%	0.771	S	S	*	*			trans	-61.2	90.5	173.8	-24.5	35.3	0	0	0	111.9	N362	P360-N362 PolarHBondContact O-N 3.05Å
361	R	51	Low	35.4	Very low	195 Å²	195	150.3 Å²	150.3	74%	0.736	77%	0.771	S	S	*	*			trans	-66.5	98.8	179	-82.6	-175.3	166.2	177	-4.8	110.6	A359 R363	A359-R361 VanDerWaalsContact C-N 3.35Å; A359-R361 PolarHBondContact O-N 2.7Å; R361-R363 PolarHBondContact O-N 3.2Å
362	N	37.6	Very low	35.4	Very low	160 Å²	160	145.1 Å²	145.1	86%	0.856	77%	0.769	S	S	*	*			trans	-65.1	90.9	175.7	-168.3	10.8	0	0	0	110.7	P360 G364	P360-N362 PolarHBondContact O-N 3.05Å; N362-G364 PolarHBondContact O-N 3.09Å
363	R	39.4	Very low	35.6	Very low	243 Å²	243	142.4 Å²	142.4	92%	0.917	78%	0.776	S	S	*	*			trans	-93.4	71.9	-171.3	-145.4	-160.4	-58	-175.8	4.6	110.7	R361	R361-R363 PolarHBondContact O-N 3.2Å
364	G	29.7	Very low	35.5	Very low	63 Å²	63	138.6 Å²	138.6	65%	0.649	78%	0.775	S	S	*	*			trans	-153.8	85.6	-175.9	0	0	0	0	0	115.1	N362	N362-G364 PolarHBondContact O-N 3.09Å
365	A	32.3	Very low	35.4	Very low	97 Å²	97	136.2 Å²	136.2	80%	0.802	78%	0.777	S	S	*	*			trans	-165.6	54.2	163.6	0	0	0	0	0	111.3
366	G	32	Very low	35.3	Very low	78 Å²	78	137.6 Å²	137.6	80%	0.804	78%	0.778	S	S	*	*			trans	-80.5	122.5	170	0	0	0	0	0	110.2	N368	G366-N368 PolarHBondContact O-N 3.21Å
367	F	36.3	Very low	35.2	Very low	216 Å²	216	133.8 Å²	133.8	95%	0.947	77%	0.774	S	S	*	*			trans	-63	128.6	169.7	-88	-107.8	0	0	0	109.8
368	N	29.8	Very low	35.2	Very low	170 Å²	170	136.5 Å²	136.5	91%	0.909	79%	0.79	S	S	*	*			trans	-147.8	142.2	156.9	-154.3	23.2	0	0	0	109.9	G366	G366-N368 PolarHBondContact O-N 3.21Å
369	Q	35.9	Very low	34.9	Very low	182 Å²	182	135.5 Å²	135.5	85%	0.85	80%	0.798	S	S	*	*			trans	-138.1	108.3	-168.5	176.1	-174.8	48.4	0	0	110
370	N	31.2	Very low	34.9	Very low	152 Å²	152	142.3 Å²	142.3	81%	0.813	83%	0.828	S	S	*	*			trans	-160.9	167.8	151.3	-144.7	-15.6	0	0	0	112.8
371	N	34.3	Very low	35	Very low	158 Å²	158	140.6 Å²	140.6	85%	0.845	83%	0.832	S	S	*	*			trans	-66.6	155.9	-172.7	-69	-19	0	0	0	115.7
372	G	29.5	Very low	34.3	Very low	80 Å²	80	138 Å²	138	83%	0.825	84%	0.838	S	S	*	*			trans	-171.7	118.9	158	0	0	0	0	0	110.1
373	A	36.1	Very low	34.4	Very low	115 Å²	115	135.8 Å²	135.8	95%	0.95	83%	0.829	S	S	*	*			trans	-97.2	145.6	178.6	0	0	0	0	0	111.1
374	G	29.2	Very low	34.4	Very low	83 Å²	83	129.8 Å²	129.8	86%	0.856	82%	0.822	S	S	*	*			trans	-173.2	126.2	175.5	0	0	0	0	0	111.4
375	S	34.9	Very low	34.8	Very low	111 Å²	111	132.4 Å²	132.4	78%	0.776	83%	0.825	S	S	*	*			trans	-96	139.7	171.1	175.6	0	0	0	0	108.9
376	E	33.5	Very low	35.2	Very low	180 Å²	180	132.8 Å²	132.8	84%	0.841	82%	0.822	S	S	*	*				179.3	169.4	112.2	-96.4	179.9	-173.9	0	0	112.3
377	N	36.6	Very low	35.7	Very low	136 Å²	136	133 Å²	133	73%	0.727	82%	0.816	S	S	*	*			trans	-132.2	112.3	-164.8	163.4	64.1	0	0	0	111.9
378	F	36	Very low	35.7	Very low	207 Å²	207	127.3 Å²	127.3	91%	0.908	80%	0.803	S	S	*	*			trans	-145.1	128.4	156.5	-79.4	-74.9	0	0	0	109.3
379	G	35.7	Very low	36.4	Very low	67 Å²	67	125.2 Å²	125.2	69%	0.691	80%	0.799	S	S	*	*			trans	-129.1	146.8	-179.6	0	0	0	0	0	112.5
380	L	35.9	Very low	36.5	Very low	178 Å²	178	121.7 Å²	121.7	93%	0.932	79%	0.794	S	S	*	*			trans	-146	133.9	162.7	-79.5	-178.6	0	0	0	110
381	G	37.5	Very low	37.3	Very low	81 Å²	81	119.5 Å²	119.5	84%	0.835	79%	0.791	S	S	*	*			trans	66.6	60.3	152.4	0	0	0	0	0	118.9
382	V	37.3	Very low	38.5	Very low	141 Å²	141	118 Å²	118	86%	0.855	79%	0.787	S	S	*	*			trans	-90.8	110.9	163.6	179.8	0	0	0	0	110.2
383	V	39.3	Very low	40.4	Very low	113 Å²	113	122.7 Å²	122.7	69%	0.685	79%	0.787	S	S	*	*			trans	-71.3	139	162.7	-75.6	0	0	0	0	109.7	V385	V383-V385 VanDerWaalsContact C-N 3.26Å; V383-V385 HydrophobicContact CG2-CG2 4.3Å; V383-V385 PolarHBondContact O-N 2.84Å
384	P	39.5	Very low	42.5	Very low	117 Å²	117	120 Å²	120	76%	0.76	76%	0.759	S	S	*	*			trans	-76	77.7	179.5	31.8	-35.3	0	0	0	110.8	S386	P384-S386 PolarHBondContact O-N 2.91Å
385	V	37.3	Very low	45.4	Very low	118 Å²	118	118.8 Å²	118.8	72%	0.715	73%	0.731	S	S	*	*			trans	-70.6	89	159.3	176.8	0	0	0	0	106.8	V383 A387	V383-V385 VanDerWaalsContact C-N 3.26Å; V383-V385 HydrophobicContact CG2-CG2 4.3Å; V383-V385 PolarHBondContact O-N 2.84Å; V385-A387 HydrophobicContact CG1-CB 3.91Å; V385-A387 PolarHBondContact O-N 2.73Å
386	S	41	Very low	48.2	Very low	106 Å²	106	117.8 Å²	117.8	74%	0.741	72%	0.722	S	S	*	*			trans	-71	55.2	171.6	-61.2	0	0	0	0	111.3	P384 S388	P384-S386 PolarHBondContact O-N 2.91Å; S386-S388 PolarHBondContact O-N 2.75Å
387	A	42.6	Very low	51	Low	81 Å²	81	111.5 Å²	111.5	67%	0.669	70%	0.696	S	S	*	*			trans	-75.1	71.1	163.2	0	0	0	0	0	108.4	V385	V385-A387 HydrophobicContact CG1-CB 3.91Å; V385-A387 PolarHBondContact O-N 2.73Å
388	S	36.1	Very low	53.7	Low	97 Å²	97	105.3 Å²	105.3	68%	0.678	66%	0.663	S	S	*	*			trans	-48.7	137.8	162.3	-60.2	0	0	0	0	108.4	S386 S390	S386-S388 PolarHBondContact O-N 2.75Å; S388-S390 PolarHBondContact O-N 2.87Å; S388-S390 VanDerWaalsContact O-N 3.1Å
389	P	45.8	Very low	56.5	Low	126 Å²	126	100.7 Å²	100.7	82%	0.818	64%	0.644	S	S	*	*			trans	-56.4	124.6	176.1	25.1	-33.6	0	0	0	107.9	S391	P389-S391 PolarHBondContact O-N 2.86Å
390	S	38.4	Very low	59.3	Low	108 Å²	108	104.4 Å²	104.4	76%	0.755	64%	0.641	S	S	*	*			trans	-57.9	103.9	-171.9	55.7	0	0	0	0	110.2	S388 V392	S388-S390 PolarHBondContact O-N 2.87Å; S388-S390 VanDerWaalsContact O-N 3.1Å; S390-V392 PolarHBondContact O-N 3.07Å; S390-V392 VanDerWaalsContact O-N 3.08Å
391	S	47.4	Very low	62.1	Low	106 Å²	106	96.7 Å²	96.7	74%	0.741	60%	0.6	S	S	*	*			trans	-54.8	116	166.1	47.8	0	0	0	0	107	P389 E393	P389-S391 PolarHBondContact O-N 2.86Å; S391-E393 VanDerWaalsContact C-N 3.33Å; S391-E393 PolarHBondContact O-N 2.8Å
392	V	58.5	Low	64.7	Low	127 Å²	127	97.5 Å²	97.5	77%	0.77	58%	0.581	S	S	*	*			trans	-66.3	98.1	179.7	-176.7	0	0	0	0	107.1	S390 V394	S390-V392 PolarHBondContact O-N 3.07Å; S390-V392 VanDerWaalsContact O-N 3.08Å; V392-V394 WeakPolarHBondContact O-CG2 3.28Å; V392-V394 PolarHBondContact O-N 3.23Å
393	E	69.6	Low	67.3	Low	178 Å²	178	95 Å²	95	83%	0.832	58%	0.575	S	S	*	*			trans	-64.3	107.4	-174.2	-168.5	171.3	-165.8	0	0	108.6	S391 H395	S391-E393 VanDerWaalsContact C-N 3.33Å; S391-E393 PolarHBondContact O-N 2.8Å; E393-H395 PolarHBondContact O-N 3.27Å
394	V	80.8	Confident	69.8	Low	58 Å²	58	95.1 Å²	95.1	35%	0.352	57%	0.571	S	S	.	*			trans	-72.9	115.2	-172	-173.6	0	0	0	0	107.7	V392 L398 E399	V392-V394 WeakPolarHBondContact O-CG2 3.28Å; V392-V394 PolarHBondContact O-N 3.23Å; V394-L398 HydrophobicContact CG1-CB 4.38Å; V394-L398 HydrophobicContact CG1-CD2 4Å; V394-L398 HydrophobicContact CG1-CG 4.18Å; V394-E399 HydrophobicContact CB-CG 3.98Å; V394-E399 HydrophobicContact CG1-CG 3.62Å
395	H	89.4	Confident	72.4	Confident	59 Å²	59	90.4 Å²	90.4	27%	0.273	54%	0.539	S	S	.	.			trans	-53.2	130.9	-175.4	-167.6	-105.6	0	0	0	111.1	E393 V397 L398 E399 F566 A567 E570	E393-H395 PolarHBondContact O-N 3.27Å; H395-V397 PolarHBondContact O-N 2.91Å; H395-L398 HydrophobicContact CB-CB 4.48Å; H395-L398 WeakPolarHBondContact O-CA 3.46Å; H395-L398 VanDerWaalsContact O-CB 3.27Å; H395-L398 WeakPolarHBondContact O-CB 3.14Å; H395-L398 PolarHBondContact O-N 2.88Å; H395-E399 PolarHBondContact O-N 3.39Å; H395-E399 VanDerWaalsContact O-N 3.16Å; H395-F566 HydrophobicContact CB-CD1 4.22Å; H395-A567 HydrophobicContact CB-CB 4.23Å; H395-E570 IonicContact CE1-OE2 3.37Å; H395-E570 PolarHBondContact CE1-OE2 2.93Å; H395-E570 VanDerWaalsContact CE1-OE2 3.23Å; H395-E570 IonicContact ND1-OE2 2.69Å; H395-E570 PolarHBondContact ND1-OE2 2.8Å
396	P	93.2	Very high	75	Confident	89 Å²	89	90.7 Å²	90.7	58%	0.578	54%	0.537	S	S	*	.	H	α-helix	trans	-62.3	-25.1	-168.7	21.2	-33.8	0	0	0	113.8	K400	P396-K400 WeakPolarHBondContact O-CB 3.44Å; P396-K400 PolarHBondContact O-N 3.44Å
397	V	93.4	Very high	77.6	Confident	49 Å²	49	86.9 Å²	86.9	30%	0.297	51%	0.506	S	S	.	.	H	α-helix	trans	-67.5	-37.8	171.6	179.3	0	0	0	0	111.5	H395 K400 L401 K437 F566 E570	H395-V397 PolarHBondContact O-N 2.91Å; V397-K400 PolarHBondContact O-N 2.81Å; V397-L401 HydrophobicContact CG1-CD1 4.01Å; V397-L401 HydrophobicContact CG1-CG 4.49Å; V397-L401 WeakPolarHBondContact O-CB 3.42Å; V397-L401 WeakPolarHBondContact O-CD1 3.44Å; V397-L401 VanDerWaalsContact O-CG 3.22Å; V397-L401 WeakPolarHBondContact O-CG 3.3Å; V397-L401 PolarHBondContact O-N 3.24Å; V397-K437 HydrophobicContact CG1-CG 4.37Å; V397-F566 HydrophobicContact CB-CE1 4.22Å; V397-F566 HydrophobicContact CG1-CE1 4.22Å; V397-F566 HydrophobicContact CG1-CZ 4.27Å; V397-E570 WeakPolarHBondContact CB-OE2 3.41Å; V397-E570 WeakPolarHBondContact CG1-OE2 3.4Å; V397-E570 WeakPolarHBondContact CG2-OE2 3.39Å
398	L	93.6	Very high	80.2	Confident	6 Å²	6	84.9 Å²	84.9	3%	0.031	49%	0.485	C	S	.	.	H	α-helix	trans	-68.4	-39.7	175.3	178.2	57.1	0	0	0	111.8	V394 H395 L401 K402 F563 F566	V394-L398 HydrophobicContact CG1-CB 4.38Å; V394-L398 HydrophobicContact CG1-CD2 4Å; V394-L398 HydrophobicContact CG1-CG 4.18Å; H395-L398 HydrophobicContact CB-CB 4.48Å; H395-L398 WeakPolarHBondContact O-CA 3.46Å; H395-L398 VanDerWaalsContact O-CB 3.27Å; H395-L398 WeakPolarHBondContact O-CB 3.14Å; H395-L398 PolarHBondContact O-N 2.88Å; L398-L401 PolarHBondContact O-N 3.17Å; L398-K402 HydrophobicContact CD1-CD 4.18Å; L398-K402 HydrophobicContact CD1-CG 4.21Å; L398-K402 HydrophobicContact CG-CD 4.11Å; L398-K402 WeakPolarHBondContact O-CB 3.3Å; L398-K402 WeakPolarHBondContact O-CG 2.93Å; L398-K402 PolarHBondContact O-N 2.92Å; L398-F563 HydrophobicContact CD1-CB 4.3Å; L398-F563 HydrophobicContact CD1-CD1 3.25Å; L398-F563 HydrophobicContact CD1-CE1 3.47Å; L398-F563 VanDerWaalsContact CD1-CE1 3.47Å; L398-F563 HydrophobicContact CD1-CG 3.83Å; L398-F563 HydrophobicContact CD1-CZ 4.23Å; L398-F563 HydrophobicContact CD2-CB 4.08Å; L398-F563 HydrophobicContact CD2-CD1 4.46Å; L398-F563 HydrophobicContact CD2-CG 4.5Å; L398-F563 HydrophobicContact CG-CD1 4.49Å; L398-F566 HydrophobicContact CB-CD1 3.73Å; L398-F566 HydrophobicContact CB-CD2 4.43Å; L398-F566 HydrophobicContact CB-CE1 3.89Å; L398-F566 HydrophobicContact CB-CG 4.02Å; L398-F566 HydrophobicContact CB-CZ 4.32Å; L398-F566 HydrophobicContact CD1-CD2 3.96Å; L398-F566 HydrophobicContact CD1-CE2 4.15Å; L398-F566 HydrophobicContact CD1-CG 4.27Å; L398-F566 HydrophobicContact CD2-CB 3.86Å; L398-F566 HydrophobicContact CD2-CD1 4.48Å; L398-F566 HydrophobicContact CD2-CD2 4.47Å; L398-F566 HydrophobicContact CD2-CG 4.03Å; L398-F566 HydrophobicContact CG-CG 4.33Å
399	E	93.8	Very high	83.1	Confident	110 Å²	110	81.2 Å²	81.2	51%	0.514	46%	0.458	S	S	.	.	H	α-helix	trans	-60.3	-48.4	173.2	-60.6	-161.6	134.1	0	0	111.1	V394 H395 L401 K402 A403	V394-E399 HydrophobicContact CB-CG 3.98Å; V394-E399 HydrophobicContact CG1-CG 3.62Å; H395-E399 PolarHBondContact O-N 3.39Å; H395-E399 VanDerWaalsContact O-N 3.16Å; E399-L401 VanDerWaalsContact C-N 3.33Å; E399-L401 PolarHBondContact O-N 2.87Å; E399-K402 PolarHBondContact O-N 3.14Å; E399-A403 WeakPolarHBondContact O-CB 2.75Å; E399-A403 PolarHBondContact O-N 2.93Å
400	K	94.4	Very high	85.3	Confident	145 Å²	145	85.4 Å²	85.4	63%	0.63	46%	0.464	S	S	*	.	H	α-helix	trans	-59	-41.8	175.7	-176	173.5	-179.5	176.5	0	112.5	P396 V397 A403 I404	P396-K400 WeakPolarHBondContact O-CB 3.44Å; P396-K400 PolarHBondContact O-N 3.44Å; V397-K400 PolarHBondContact O-N 2.81Å; K400-A403 PolarHBondContact O-N 3.49Å; K400-I404 HydrophobicContact CG-CD1 3.8Å; K400-I404 VanDerWaalsContact O-CG1 3.28Å; K400-I404 WeakPolarHBondContact O-CG1 3.18Å; K400-I404 PolarHBondContact O-N 2.96Å
401	L	94.9	Very high	87.9	Confident	15 Å²	15	86.7 Å²	86.7	8%	0.079	46%	0.462	C	S	.	.	H	α-helix	trans	-64.5	-42.4	176.8	-74.5	165	0	0	0	112.1	V397 L398 E399 I404 N405 Y407 K437 F566	V397-L401 HydrophobicContact CG1-CD1 4.01Å; V397-L401 HydrophobicContact CG1-CG 4.49Å; V397-L401 WeakPolarHBondContact O-CB 3.42Å; V397-L401 WeakPolarHBondContact O-CD1 3.44Å; V397-L401 VanDerWaalsContact O-CG 3.22Å; V397-L401 WeakPolarHBondContact O-CG 3.3Å; V397-L401 PolarHBondContact O-N 3.24Å; L398-L401 PolarHBondContact O-N 3.17Å; E399-L401 VanDerWaalsContact C-N 3.33Å; E399-L401 PolarHBondContact O-N 2.87Å; L401-I404 PolarHBondContact O-N 3.48Å; L401-N405 WeakPolarHBondContact O-CB 3.46Å; L401-N405 PolarHBondContact O-N 3.06Å; L401-N405 PolarHBondContact O-ND2 2.9Å; L401-Y407 HydrophobicContact CB-CE2 4.25Å; L401-Y407 WeakPolarHBondContact O-CE2 3.39Å; L401-K437 HydrophobicContact CD1-CB 4.48Å; L401-F566 HydrophobicContact CD1-CE2 4Å; L401-F566 HydrophobicContact CD1-CZ 3.57Å
402	K	93.3	Very high	90.2	Very high	98 Å²	98	82.8 Å²	82.8	43%	0.426	43%	0.432	S	S	.	.	H	α-helix	trans	-67.2	-33.1	175.2	-74.3	170.2	175	170.1	0	113	L398 E399 N405 Y407	L398-K402 HydrophobicContact CD1-CD 4.18Å; L398-K402 HydrophobicContact CD1-CG 4.21Å; L398-K402 HydrophobicContact CG-CD 4.11Å; L398-K402 WeakPolarHBondContact O-CB 3.3Å; L398-K402 WeakPolarHBondContact O-CG 2.93Å; L398-K402 PolarHBondContact O-N 2.92Å; E399-K402 PolarHBondContact O-N 3.14Å; K402-N405 VanDerWaalsContact O-O 3.08Å; K402-Y407 HydrophobicContact CG-CD2 4.21Å; K402-Y407 HydrophobicContact CG-CE2 4.46Å
403	A	92.1	Very high	91.9	Very high	89 Å²	89	81.2 Å²	81.2	74%	0.736	42%	0.419	S	S	*	.	H	α-helix	trans	-72.1	-35	175.8	0	0	0	0	0	112.6	E399 K400	E399-A403 WeakPolarHBondContact O-CB 2.75Å; E399-A403 PolarHBondContact O-N 2.93Å; K400-A403 PolarHBondContact O-N 3.49Å
404	I	92.1	Very high	93	Very high	116 Å²	116	76.7 Å²	76.7	60%	0.595	39%	0.394	S	S	*	.	H	α-helix	trans	-81.2	-31.6	178.6	-66.3	168.2	0	0	0	111.9	K400 L401	K400-I404 HydrophobicContact CG-CD1 3.8Å; K400-I404 VanDerWaalsContact O-CG1 3.28Å; K400-I404 WeakPolarHBondContact O-CG1 3.18Å; K400-I404 PolarHBondContact O-N 2.96Å; L401-I404 PolarHBondContact O-N 3.48Å
405	N	92.2	Very high	93.7	Very high	18 Å²	18	77.5 Å²	77.5	10%	0.096	40%	0.397	C	S	.	.	S	Bend	trans	-121.9	120	-173.6	-59.1	-85	0	0	0	112.1	L401 K402 Y407	L401-N405 WeakPolarHBondContact O-CB 3.46Å; L401-N405 PolarHBondContact O-N 3.06Å; L401-N405 PolarHBondContact O-ND2 2.9Å; K402-N405 VanDerWaalsContact O-O 3.08Å; N405-Y407 HydrophobicContact CB-CD1 3.88Å; N405-Y407 HydrophobicContact CB-CD2 4.15Å; N405-Y407 HydrophobicContact CB-CE1 3.45Å; N405-Y407 VanDerWaalsContact CB-CE1 3.45Å; N405-Y407 HydrophobicContact CB-CE2 3.78Å; N405-Y407 HydrophobicContact CB-CG 4.21Å; N405-Y407 VanDerWaalsContact CB-CZ 3.42Å; N405-Y407 PolarHBondContact ND2-OH 2.98Å; N405-Y407 PolarHBondContact O-N 3.36Å
406	N	92.7	Very high	93.8	Very high	123 Å²	123	75.2 Å²	75.2	66%	0.658	39%	0.387	S	S	*	.			trans	-69.4	78.8	167.5	-175.1	23.4	0	0	0	110.7
407	Y	96.1	Very high	93.8	Very high	26 Å²	26	80.1 Å²	80.1	10%	0.102	40%	0.399	C	S	.	.			trans	-75.2	148.5	177	-61.6	-55.3	0	0	0	112	L401 K402 N405 W508 I509 V511 F563	L401-Y407 HydrophobicContact CB-CE2 4.25Å; L401-Y407 WeakPolarHBondContact O-CE2 3.39Å; K402-Y407 HydrophobicContact CG-CD2 4.21Å; K402-Y407 HydrophobicContact CG-CE2 4.46Å; N405-Y407 HydrophobicContact CB-CD1 3.88Å; N405-Y407 HydrophobicContact CB-CD2 4.15Å; N405-Y407 HydrophobicContact CB-CE1 3.45Å; N405-Y407 VanDerWaalsContact CB-CE1 3.45Å; N405-Y407 HydrophobicContact CB-CE2 3.78Å; N405-Y407 HydrophobicContact CB-CG 4.21Å; N405-Y407 VanDerWaalsContact CB-CZ 3.42Å; N405-Y407 PolarHBondContact ND2-OH 2.98Å; N405-Y407 PolarHBondContact O-N 3.36Å; Y407-W508 HydrophobicContact CD1-CB 4.39Å; Y407-W508 HydrophobicContact CE1-CB 3.79Å; Y407-I509 CarbonylContact C-O 3.58Å; Y407-I509 WeakPolarHBondContact CA-O 3.31Å; Y407-V511 HydrophobicContact CD1-CG2 4.14Å; Y407-V511 HydrophobicContact CE1-CG2 4.34Å; Y407-F563 AromaticContact CD2-CE2 3.96Å; Y407-F563 HydrophobicContact CD2-CE2 3.96Å; Y407-F563 AromaticContact CD2-CZ 3.55Å; Y407-F563 HydrophobicContact CD2-CZ 3.55Å; Y407-F563 HydrophobicContact CE2-CE1 4.36Å; Y407-F563 HydrophobicContact CE2-CE2 4.45Å; Y407-F563 AromaticContact CE2-CZ 3.6Å; Y407-F563 HydrophobicContact CE2-CZ 3.6Å; Y407-F563 HydrophobicContact CG-CE2 4.34Å; Y407-F563 HydrophobicContact CG-CZ 4.09Å
408	N	96.6	Very high	93.8	Very high	40 Å²	40	81.4 Å²	81.4	21%	0.214	40%	0.404	C	S	.	.	S	Bend	trans	54.8	48.7	179.9	-60.2	-41.2	0	0	0	114.4	I509 F510 V511	N408-I509 PolarHBondContact N-O 3.45Å; N408-F510 HydrophobicContact CB-CD1 4.28Å; N408-F510 VanDerWaalsContact OD1-CA 3.29Å; N408-F510 WeakPolarHBondContact OD1-CA 3.42Å; N408-F510 WeakPolarHBondContact OD1-CD1 3.47Å; N408-V511 PolarHBondContact ND2-O 3.06Å; N408-V511 PolarHBondContact OD1-N 2.95Å; N408-V511 PolarHBondContact OD1-O 2.69Å
409	P	96.3	Very high	93.9	Very high	19 Å²	19	81.5 Å²	81.5	12%	0.123	41%	0.407	C	S	.	.			trans	-59.4	139.3	-179.6	24.6	-32.7	0	0	0	112.1	F412 I509 F510	P409-F412 HydrophobicContact CG-CB 4.25Å; P409-F412 HydrophobicContact CG-CD2 4.42Å; P409-I509 WeakPolarHBondContact CD-O 3.25Å; P409-I509 HydrophobicContact CG-CG2 3.89Å; P409-F510 HydrophobicContact CG-CZ 4.46Å
410	K	92.6	Very high	94.1	Very high	215 Å²	215	79.8 Å²	79.8	94%	0.935	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-24.8	-175.8	-64.3	176.8	-178.3	172.5	0	112.7
411	D	93.2	Very high	94.3	Very high	135 Å²	135	72.9 Å²	72.9	72%	0.722	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	11.8	-174.1	55.2	-50.7	0	0	0	113	D413	D411-D413 PolarHBondContact O-N 2.67Å
412	F	95.4	Very high	94.5	Very high	24 Å²	24	72.2 Å²	72.2	11%	0.105	36%	0.362	C	S	.	.			trans	-61.2	120.4	-177.3	-178.7	-97.9	0	0	0	113.5	P409 W414 Y465 I509 F510 L550 A554	P409-F412 HydrophobicContact CG-CB 4.25Å; P409-F412 HydrophobicContact CG-CD2 4.42Å; F412-W414 HydrophobicContact CD1-CB 4.12Å; F412-W414 HydrophobicContact CE1-CB 4.13Å; F412-W414 PolarHBondContact O-N 3.29Å; F412-Y465 HydrophobicContact CE2-CE2 4.28Å; F412-Y465 AromaticContact CE2-CZ 3.97Å; F412-Y465 HydrophobicContact CZ-CD2 4.46Å; F412-Y465 AromaticContact CZ-CE2 3.65Å; F412-Y465 HydrophobicContact CZ-CE2 3.65Å; F412-Y465 AromaticContact CZ-CZ 3.82Å; F412-I509 HydrophobicContact CD2-CG2 3.92Å; F412-I509 HydrophobicContact CE2-CD1 4.26Å; F412-I509 HydrophobicContact CE2-CG2 3.89Å; F412-F510 HydrophobicContact CB-CE2 4.18Å; F412-F510 HydrophobicContact CB-CZ 3.7Å; F412-F510 AromaticContact CD1-CE2 3.65Å; F412-F510 HydrophobicContact CD1-CE2 3.65Å; F412-F510 AromaticContact CD1-CZ 3.9Å; F412-F510 HydrophobicContact CD1-CZ 3.9Å; F412-F510 AromaticContact CD2-CE2 3.8Å; F412-F510 HydrophobicContact CD2-CE2 3.8Å; F412-F510 HydrophobicContact CD2-CZ 4.16Å; F412-F510 AromaticContact CE1-CE2 3.89Å; F412-F510 HydrophobicContact CE1-CE2 3.89Å; F412-F510 HydrophobicContact CE2-CE2 4.04Å; F412-F510 AromaticContact CG-CE2 3.59Å; F412-F510 HydrophobicContact CG-CE2 3.59Å; F412-F510 AromaticContact CG-CZ 3.65Å; F412-F510 HydrophobicContact CG-CZ 3.65Å; F412-F510 HydrophobicContact CZ-CE2 4.07Å; F412-L550 HydrophobicContact CE1-CB 4.34Å; F412-L550 HydrophobicContact CE1-CD2 4.21Å; F412-L550 HydrophobicContact CZ-CD2 4.31Å; F412-A554 HydrophobicContact CD1-CB 4.17Å
413	D	93.8	Very high	94.7	Very high	94 Å²	94	67.6 Å²	67.6	50%	0.503	34%	0.342	S	S	.	.			trans	-72.5	98.3	171.1	-174.1	13	0	0	0	111.3	D411 N415	D411-D413 PolarHBondContact O-N 2.67Å; D413-N415 VanDerWaalsContact C-N 3.32Å; D413-N415 WeakPolarHBondContact OD1-CA 3.38Å; D413-N415 WeakPolarHBondContact OD1-CB 3.47Å; D413-N415 PolarHBondContact OD1-N 3.06Å
414	W	93.8	Very high	95.1	Very high	83 Å²	83	63.3 Å²	63.3	31%	0.314	31%	0.307	S	S	.	.			trans	-80.6	-8.6	172	51.2	-93.1	0	0	0	113.2	F412 L416 L550 K551	F412-W414 HydrophobicContact CD1-CB 4.12Å; F412-W414 HydrophobicContact CE1-CB 4.13Å; F412-W414 PolarHBondContact O-N 3.29Å; W414-L416 VanDerWaalsContact C-N 3.32Å; W414-L416 PolarHBondContact O-N 3.46Å; W414-L550 HydrophobicContact CB-CB 3.89Å; W414-K551 HydrophobicContact CB-CB 4.31Å; W414-K551 HydrophobicContact CD2-CB 3.66Å; W414-K551 HydrophobicContact CD2-CD 4.1Å; W414-K551 HydrophobicContact CD2-CG 3.76Å; W414-K551 HydrophobicContact CE3-CB 3.76Å; W414-K551 HydrophobicContact CE3-CD 3.97Å; W414-K551 HydrophobicContact CE3-CG 4.04Å; W414-K551 HydrophobicContact CG-CB 3.89Å; W414-K551 HydrophobicContact CG-CG 4.21Å; W414-K551 HydrophobicContact CH2-CD 3.79Å; W414-K551 HydrophobicContact CH2-CG 4.47Å; W414-K551 HydrophobicContact CZ2-CD 3.88Å; W414-K551 HydrophobicContact CZ2-CG 4.19Å; W414-K551 HydrophobicContact CZ3-CB 4.44Å; W414-K551 HydrophobicContact CZ3-CD 3.82Å; W414-K551 HydrophobicContact CZ3-CG 4.39Å
415	N	94.1	Very high	95.3	Very high	75 Å²	75	59 Å²	59	40%	0.401	28%	0.284	S	S	.	.			trans	-93.2	56.4	-176.1	-170.8	27.9	0	0	0	112.3	D413 K417 K547	D413-N415 VanDerWaalsContact C-N 3.32Å; D413-N415 WeakPolarHBondContact OD1-CA 3.38Å; D413-N415 WeakPolarHBondContact OD1-CB 3.47Å; D413-N415 PolarHBondContact OD1-N 3.06Å; N415-K417 PolarHBondContact O-N 3.48Å; N415-K417 VanDerWaalsContact O-N 3.09Å; N415-K547 WeakPolarHBondContact OD1-CE 3.46Å
416	L	91.9	Very high	95.6	Very high	11 Å²	11	58.4 Å²	58.4	6%	0.058	28%	0.281	C	S	.	.			trans	-48	114.2	-178.9	-73.7	171.7	0	0	0	113.1	W414 V421 P463 Y465 L543 K547 L550	W414-L416 VanDerWaalsContact C-N 3.32Å; W414-L416 PolarHBondContact O-N 3.46Å; L416-V421 HydrophobicContact CD1-CG2 3.93Å; L416-P463 HydrophobicContact CD2-CG 3.57Å; L416-Y465 HydrophobicContact CD1-CD2 3.86Å; L416-Y465 HydrophobicContact CD1-CE2 3.91Å; L416-Y465 HydrophobicContact CD2-CE2 3.82Å; L416-Y465 HydrophobicContact CG-CE2 4.21Å; L416-L543 HydrophobicContact CB-CD1 3.8Å; L416-L543 HydrophobicContact CD1-CD1 4.17Å; L416-K547 WeakPolarHBondContact O-CE 3.31Å; L416-L550 HydrophobicContact CD1-CD1 3.61Å; L416-L550 HydrophobicContact CG-CD1 4.31Å
417	K	92.8	Very high	95.6	Very high	192 Å²	192	59.5 Å²	59.5	84%	0.835	28%	0.277	S	S	*	.	S	Bend	trans	-71.8	-34.4	172.3	-62.9	178.1	-176.9	174.8	0	112.3	N415	N415-K417 PolarHBondContact O-N 3.48Å; N415-K417 VanDerWaalsContact O-N 3.09Å
418	N	93.7	Very high	95.6	Very high	75 Å²	75	58.9 Å²	58.9	40%	0.401	28%	0.276	S	S	.	.	S	Bend	trans	-150.6	156.4	173.8	-174.3	33.4	0	0	0	109	K461	N418-K461 PolarHBondContact ND2-O 3.29Å
419	G	95.8	Very high	95.6	Very high	9 Å²	9	60.4 Å²	60.4	9%	0.093	28%	0.282	C	S	.	.			trans	142.9	172.2	-176.7	0	0	0	0	0	111.8	P463	G419-P463 CarbonylContact C-O 3.41Å; G419-P463 WeakPolarHBondContact CA-O 3.34Å
420	R	98.2	Very high	95.6	Very high	73 Å²	73	60.6 Å²	60.6	28%	0.275	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	147.4	173	-63	178.6	74.5	165.4	1.7	109.7	F422 S457 L458 P463 L464 Y465 E540	R420-F422 HydrophobicContact CB-CE2 3.81Å; R420-S457 PolarHBondContact NH1-OG 3.29Å; R420-L458 HydrophobicContact CB-CD1 4.16Å; R420-L458 HydrophobicContact CG-CD1 4.15Å; R420-L458 HydrophobicContact CG-CD2 4.23Å; R420-L458 HydrophobicContact CG-CG 4.22Å; R420-P463 PolarHBondContact N-O 3.05Å; R420-L464 HydrophobicContact CB-CG 4.46Å; R420-L464 CarbonylContact O-C 3.47Å; R420-L464 VanDerWaalsContact O-CA 3.28Å; R420-L464 WeakPolarHBondContact O-CA 3.31Å; R420-Y465 PolarHBondContact O-N 3.03Å; R420-E540 IonicContact CZ-OE1 3.45Å; R420-E540 IonicContact CZ-OE2 2.63Å; R420-E540 IonicContact NE-OE1 3.23Å; R420-E540 PolarHBondContact NE-OE1 3.46Å; R420-E540 IonicContact NH2-OE1 3.18Å; R420-E540 PolarHBondContact NH2-OE1 2.9Å; R420-E540 IonicContact NH2-OE2 3.77Å; R420-E540 PolarHBondContact NH2-OE2 3.04Å
421	V	98.7	Very high	95.8	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.8	-175.8	-175.6	0	0	0	0	110.2	L416 Y465 L467 V541 A546 L550	L416-V421 HydrophobicContact CD1-CG2 3.93Å; V421-Y465 WeakPolarHBondContact CA-O 3.41Å; V421-Y465 HydrophobicContact CG2-CD2 4.46Å; V421-L467 HydrophobicContact CG1-CD1 3.6Å; V421-L467 HydrophobicContact CG1-CD2 4.17Å; V421-L467 HydrophobicContact CG1-CG 3.68Å; V421-V541 HydrophobicContact CB-CB 4.38Å; V421-V541 HydrophobicContact CG1-CB 4.43Å; V421-V541 PolarHBondContact O-N 2.61Å; V421-A546 HydrophobicContact CB-CB 3.71Å; V421-A546 HydrophobicContact CG1-CB 4.1Å; V421-A546 HydrophobicContact CG2-CB 3.66Å; V421-L550 HydrophobicContact CG2-CD1 4.45Å
422	F	98.8	Very high	96	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.2	-176.9	-65.4	-95.2	0	0	0	111.6	R420 R450 L451 A454 L464 Y465 L466 L467 Q539 E540	R420-F422 HydrophobicContact CB-CE2 3.81Å; F422-R450 HydrophobicContact CE1-CG 4.26Å; F422-L451 HydrophobicContact CB-CD2 3.96Å; F422-L451 HydrophobicContact CD1-CD2 4.07Å; F422-L451 HydrophobicContact CD2-CD2 3.85Å; F422-L451 HydrophobicContact CE2-CD2 4.38Å; F422-L451 HydrophobicContact CG-CD2 3.68Å; F422-A454 HydrophobicContact CE2-CB 3.61Å; F422-A454 HydrophobicContact CZ-CB 3.47Å; F422-A454 VanDerWaalsContact CZ-CB 3.47Å; F422-L464 HydrophobicContact CD2-CD1 4.36Å; F422-L464 HydrophobicContact CD2-CD2 3.77Å; F422-L464 HydrophobicContact CD2-CG 4.08Å; F422-L464 HydrophobicContact CE2-CD1 4Å; F422-L464 HydrophobicContact CE2-CD2 4.23Å; F422-L464 HydrophobicContact CE2-CG 4.08Å; F422-Y465 PolarHBondContact N-O 2.61Å; F422-L466 HydrophobicContact CB-CD2 4Å; F422-L466 WeakPolarHBondContact O-CA 3.42Å; F422-L467 PolarHBondContact O-N 3.41Å; F422-Q539 CarbonylContact C-O 3.59Å; F422-Q539 VanDerWaalsContact CA-O 3.29Å; F422-Q539 WeakPolarHBondContact CA-O 2.95Å; F422-E540 HydrophobicContact CD1-CB 3.91Å; F422-E540 HydrophobicContact CD1-CG 4.32Å; F422-E540 HydrophobicContact CE1-CB 3.6Å; F422-E540 HydrophobicContact CE1-CG 3.8Å; F422-E540 HydrophobicContact CZ-CB 4.3Å; F422-E540 HydrophobicContact CZ-CG 3.99Å
423	I	98.8	Very high	96.2	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	134.4	168.7	-50.6	-55.4	0	0	0	109.1	K425 L467 F476 V532 T538 Q539 V541	I423-K425 HydrophobicContact CG2-CD 3.92Å; I423-K425 HydrophobicContact CG2-CG 4.16Å; I423-L467 HydrophobicContact CD1-CB 3.99Å; I423-L467 HydrophobicContact CD1-CD1 3.79Å; I423-L467 HydrophobicContact CD1-CG 4.4Å; I423-F476 HydrophobicContact CD1-CE1 3.96Å; I423-F476 HydrophobicContact CD1-CZ 4.1Å; I423-F476 HydrophobicContact CG2-CE1 4.14Å; I423-F476 HydrophobicContact CG2-CZ 4.34Å; I423-V532 HydrophobicContact CD1-CG2 3.78Å; I423-V532 HydrophobicContact CG1-CG2 4.45Å; I423-T538 WeakPolarHBondContact O-CA 3.37Å; I423-T538 PolarHBondContact O-N 3.35Å; I423-Q539 HydrophobicContact CB-CB 4.31Å; I423-Q539 HydrophobicContact CG1-CB 4.25Å; I423-Q539 PolarHBondContact N-O 3.36Å; I423-V541 HydrophobicContact CD1-CG2 3.51Å; I423-V541 HydrophobicContact CG1-CG2 3.82Å
424	I	98.8	Very high	96.3	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.7	170.5	-62.3	-60.7	0	0	0	109.8	W441 L451 L466 L467 F468 S469 D537 T538	I424-W441 HydrophobicContact CG2-CZ2 3.52Å; I424-L451 HydrophobicContact CD1-CD1 3.97Å; I424-L466 HydrophobicContact CD1-CD2 4.1Å; I424-L466 HydrophobicContact CG1-CB 3.86Å; I424-L466 HydrophobicContact CG1-CD1 4.35Å; I424-L466 HydrophobicContact CG1-CD2 4.03Å; I424-L466 HydrophobicContact CG1-CG 4.3Å; I424-L467 PolarHBondContact N-O 3.45Å; I424-F468 HydrophobicContact CB-CD1 3.87Å; I424-F468 HydrophobicContact CB-CE1 3.98Å; I424-F468 HydrophobicContact CB-CG 4.24Å; I424-F468 HydrophobicContact CB-CZ 4.4Å; I424-F468 HydrophobicContact CG1-CE1 4.34Å; I424-F468 HydrophobicContact CG1-CZ 4.3Å; I424-F468 HydrophobicContact CG2-CD1 3.57Å; I424-F468 HydrophobicContact CG2-CE1 3.5Å; I424-F468 HydrophobicContact CG2-CG 4.42Å; I424-F468 HydrophobicContact CG2-CZ 4.27Å; I424-S469 PolarHBondContact O-N 3.05Å; I424-D537 WeakPolarHBondContact CA-OD1 3.45Å; I424-T538 HydrophobicContact CD1-CG2 4.16Å
425	K	98.1	Very high	96.5	Very high	26 Å²	26	35.1 Å²	35.1	11%	0.113	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	92.2	-176.5	-67	-55.5	-51.8	172.9	0	111.5	I423 S469 V470 N471 D537	I423-K425 HydrophobicContact CG2-CD 3.92Å; I423-K425 HydrophobicContact CG2-CG 4.16Å; K425-S469 WeakPolarHBondContact CA-O 3.41Å; K425-S469 WeakPolarHBondContact CD-O 3.47Å; K425-S469 WeakPolarHBondContact CE-O 3.45Å; K425-S469 PolarHBondContact NZ-O 2.85Å; K425-S469 PolarHBondContact NZ-OG 3.02Å; K425-V470 PolarHBondContact NZ-O 3.06Å; K425-N471 WeakPolarHBondContact CE-OD1 3.47Å; K425-D537 HydrophobicContact CB-CB 3.98Å; K425-D537 PolarHBondContact N-OD1 2.87Å
426	S	97.1	Very high	96.7	Very high	5 Å²	5	31.6 Å²	31.6	4%	0.035	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	149.9	174.1	-171.1	0	0	0	0	112.5	S428 V470 N471	S426-S428 PolarHBondContact OG-N 3.07Å; S426-S428 VanDerWaalsContact OG-N 3.14Å; S426-S428 PolarHBondContact OG-O 3.28Å; S426-V470 CarbonylContact O-C 3.58Å; S426-N471 PolarHBondContact O-N 3.43Å; S426-N471 PolarHBondContact O-ND2 3.04Å
427	Y	94.1	Very high	97	Very high	146 Å²	146	33.1 Å²	33.1	57%	0.573	15%	0.15	S	C	*	.	S	Bend	trans	-92.2	-11.1	169.7	-67.8	-88.5	0	0	0	113.4	N471 W500	Y427-N471 WeakPolarHBondContact CD1-ND2 3.34Å; Y427-N471 WeakPolarHBondContact CE1-ND2 3.43Å; Y427-W500 HydrophobicContact CD2-CH2 4.44Å; Y427-W500 HydrophobicContact CD2-CZ2 4.15Å; Y427-W500 HydrophobicContact CE2-CH2 4.35Å
428	S	94.9	Very high	97.2	Very high	12 Å²	12	28.2 Å²	28.2	8%	0.084	13%	0.127	C	C	.	.			trans	-139.5	144.6	-177.9	154.3	0	0	0	0	110.6	S426 D430 D431	S426-S428 PolarHBondContact OG-N 3.07Å; S426-S428 VanDerWaalsContact OG-N 3.14Å; S426-S428 PolarHBondContact OG-O 3.28Å; S428-D430 WeakPolarHBondContact OG-CA 3.37Å; S428-D430 WeakPolarHBondContact OG-CB 3.34Å; S428-D430 PolarHBondContact OG-N 2.96Å; S428-D430 PolarHBondContact OG-OD2 3.33Å; S428-D431 PolarHBondContact OG-N 3.43Å
429	E	96.5	Very high	97.4	Very high	72 Å²	72	26.7 Å²	26.7	34%	0.336	12%	0.122	S	C	.	.	H	α-helix	trans	-76.1	-28	169.3	-76.6	169.2	-156.7	0	0	111.5	D431 I432 H433 V470 I562 Y569	E429-D431 VanDerWaalsContact C-N 3.29Å; E429-D431 PolarHBondContact O-N 3.02Å; E429-I432 WeakPolarHBondContact O-CA 3.48Å; E429-I432 WeakPolarHBondContact O-CB 3.24Å; E429-I432 PolarHBondContact O-N 2.83Å; E429-H433 PolarHBondContact O-N 2.89Å; E429-V470 HydrophobicContact CG-CB 4.43Å; E429-V470 HydrophobicContact CG-CG1 4.23Å; E429-V470 HydrophobicContact CG-CG2 3.83Å; E429-I562 HydrophobicContact CB-CD1 4.46Å; E429-I562 WeakPolarHBondContact O-CD1 3.2Å; E429-Y569 HydrophobicContact CB-CE1 4.06Å; E429-Y569 WeakPolarHBondContact CB-OH 3.47Å; E429-Y569 PolarHBondContact OE2-OH 2.89Å
430	D	96.6	Very high	97.5	Very high	24 Å²	24	27.1 Å²	27.1	13%	0.128	12%	0.122	C	C	.	.	H	α-helix	trans	-58.7	-40.2	172.1	-42.2	-100.4	0	0	0	111.8	S428 I432 H433 R434 Y569 R572	S428-D430 WeakPolarHBondContact OG-CA 3.37Å; S428-D430 WeakPolarHBondContact OG-CB 3.34Å; S428-D430 PolarHBondContact OG-N 2.96Å; S428-D430 PolarHBondContact OG-OD2 3.33Å; D430-I432 VanDerWaalsContact C-N 3.3Å; D430-I432 PolarHBondContact O-N 3.43Å; D430-H433 PolarHBondContact O-N 3.13Å; D430-R434 WeakPolarHBondContact O-CB 3.44Å; D430-R434 WeakPolarHBondContact O-CG 3.45Å; D430-R434 PolarHBondContact O-N 2.93Å; D430-Y569 HydrophobicContact CB-CD1 4.36Å; D430-Y569 HydrophobicContact CB-CE1 4.41Å; D430-Y569 WeakPolarHBondContact OD1-CE1 3.28Å; D430-R572 WeakPolarHBondContact OD1-CD 3.26Å; D430-R572 IonicContact OD1-CZ 2.75Å; D430-R572 IonicContact OD1-NE 3.16Å; D430-R572 IonicContact OD1-NH1 3.65Å; D430-R572 PolarHBondContact OD1-NH1 3.12Å; D430-R572 IonicContact OD2-NH1 3.81Å; D430-R572 PolarHBondContact OD2-NH1 3.03Å
431	D	96.9	Very high	97.5	Very high	7 Å²	7	24.1 Å²	24.1	4%	0.037	11%	0.111	C	C	.	.	H	α-helix	trans	-64.3	-35.3	174.8	-72.1	-38.6	0	0	0	111.6	S428 E429 S435 W441 W495 S496	S428-D431 PolarHBondContact OG-N 3.43Å; E429-D431 VanDerWaalsContact C-N 3.29Å; E429-D431 PolarHBondContact O-N 3.02Å; D431-S435 VanDerWaalsContact O-CB 3.24Å; D431-S435 WeakPolarHBondContact O-CB 3.29Å; D431-S435 PolarHBondContact O-N 2.98Å; D431-W441 HydrophobicContact CB-CH2 4.16Å; D431-W441 HydrophobicContact CB-CZ3 4.18Å; D431-W495 HydrophobicContact CB-CE3 4.32Å; D431-W495 WeakPolarHBondContact OD1-CA 3.43Å; D431-S496 VanDerWaalsContact CG-OG 3.31Å; D431-S496 WeakPolarHBondContact OD1-CB 3.17Å; D431-S496 PolarHBondContact OD1-N 2.84Å; D431-S496 PolarHBondContact OD1-OG 3.43Å; D431-S496 WeakPolarHBondContact OD2-CB 3.46Å; D431-S496 PolarHBondContact OD2-OG 3.35Å
432	I	98.3	Very high	97.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-67	-48.1	174.2	-57.4	-62.5	0	0	0	110.5	E429 D430 R434 S435 I436 W441 F468 V470 W508 I562	E429-I432 WeakPolarHBondContact O-CA 3.48Å; E429-I432 WeakPolarHBondContact O-CB 3.24Å; E429-I432 PolarHBondContact O-N 2.83Å; D430-I432 VanDerWaalsContact C-N 3.3Å; D430-I432 PolarHBondContact O-N 3.43Å; I432-R434 PolarHBondContact O-N 2.86Å; I432-S435 WeakPolarHBondContact O-CB 3.47Å; I432-S435 PolarHBondContact O-N 2.79Å; I432-I436 HydrophobicContact CG2-CD1 4.01Å; I432-I436 WeakPolarHBondContact O-CG1 3.45Å; I432-I436 PolarHBondContact O-N 3.33Å; I432-W441 HydrophobicContact CD1-CH2 4.08Å; I432-W441 HydrophobicContact CD1-CZ3 4.26Å; I432-F468 HydrophobicContact CD1-CB 4.35Å; I432-F468 HydrophobicContact CD1-CD1 3.61Å; I432-F468 HydrophobicContact CD1-CE1 4.38Å; I432-F468 HydrophobicContact CD1-CG 4.38Å; I432-V470 HydrophobicContact CD1-CG2 4.4Å; I432-V470 HydrophobicContact CG1-CG2 3.75Å; I432-W508 HydrophobicContact CD1-CH2 4.47Å; I432-W508 HydrophobicContact CG2-CH2 3.79Å; I432-W508 HydrophobicContact CG2-CZ2 4.25Å; I432-I562 HydrophobicContact CB-CD1 3.87Å; I432-I562 HydrophobicContact CG2-CD1 3.78Å
433	H	98	Very high	97.2	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-55.1	-50.9	175.2	164.3	-104.3	0	0	0	111.5	E429 D430 S435 I436 K437 I562 F566 Y569 E570	E429-H433 PolarHBondContact O-N 2.89Å; D430-H433 PolarHBondContact O-N 3.13Å; H433-S435 VanDerWaalsContact C-N 3.3Å; H433-S435 PolarHBondContact O-N 2.89Å; H433-I436 PolarHBondContact O-N 3.25Å; H433-K437 WeakPolarHBondContact O-CB 3.5Å; H433-K437 PolarHBondContact O-N 3.26Å; H433-I562 HydrophobicContact CB-CD1 4.03Å; H433-F566 AromaticContact CD2-CD2 3.68Å; H433-F566 AromaticContact CD2-CE2 3.47Å; H433-F566 VanDerWaalsContact CD2-CE2 3.47Å; H433-F566 WeakPolarHBondContact CD2-CE2 3.34Å; H433-F566 AromaticContact CD2-CZ 3.84Å; H433-F566 AromaticContact NE2-CE1 3.73Å; H433-F566 AromaticContact NE2-CE2 3.61Å; H433-F566 AromaticContact NE2-CZ 3.44Å; H433-F566 WeakPolarHBondContact NE2-CZ 3.44Å; H433-Y569 HydrophobicContact CB-CD1 4.31Å; H433-Y569 HydrophobicContact CB-CG 4.02Å; H433-Y569 VanDerWaalsContact CG-CB 3.48Å; H433-E570 IonicContact CE1-OE1 2.69Å; H433-E570 PolarHBondContact CE1-OE1 3.38Å; H433-E570 IonicContact NE2-OE1 3.23Å; H433-E570 PolarHBondContact NE2-OE1 2.83Å
434	R	97.3	Very high	97	Very high	7 Å²	7	27.1 Å²	27.1	3%	0.026	13%	0.129	C	C	.	.	H	α-helix	trans	-65.1	-34.6	180	-65.3	172.2	-146.3	-162.3	-2.9	111.2	D430 I432 K437 Y438 V494 E576	D430-R434 WeakPolarHBondContact O-CB 3.44Å; D430-R434 WeakPolarHBondContact O-CG 3.45Å; D430-R434 PolarHBondContact O-N 2.93Å; I432-R434 PolarHBondContact O-N 2.86Å; R434-K437 PolarHBondContact O-N 3.01Å; R434-Y438 HydrophobicContact CB-CD2 4.21Å; R434-Y438 HydrophobicContact CB-CE2 4.43Å; R434-Y438 WeakPolarHBondContact O-CB 3.31Å; R434-Y438 WeakPolarHBondContact O-CD2 3.3Å; R434-Y438 PolarHBondContact O-N 3.2Å; R434-V494 WeakPolarHBondContact CD-O 3.21Å; R434-V494 PolarHBondContact NH1-O 2.83Å; R434-E576 IonicContact CZ-OE2 3.76Å; R434-E576 IonicContact NH1-OE1 3.94Å; R434-E576 IonicContact NH1-OE2 2.72Å; R434-E576 PolarHBondContact NH1-OE2 2.89Å; R434-E576 VanDerWaalsContact NH1-OE2 3.14Å; R434-E576 IonicContact NH2-OE2 3.63Å; R434-E576 PolarHBondContact NH2-OE2 3.06Å
435	S	98.3	Very high	96.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-41.9	172.2	-174.8	0	0	0	0	113.5	D431 I432 H433 S439 I440 W508	D431-S435 VanDerWaalsContact O-CB 3.24Å; D431-S435 WeakPolarHBondContact O-CB 3.29Å; D431-S435 PolarHBondContact O-N 2.98Å; I432-S435 WeakPolarHBondContact O-CB 3.47Å; I432-S435 PolarHBondContact O-N 2.79Å; H433-S435 VanDerWaalsContact C-N 3.3Å; H433-S435 PolarHBondContact O-N 2.89Å; S435-S439 VanDerWaalsContact O-CA 3.29Å; S435-S439 WeakPolarHBondContact O-CA 3.16Å; S435-S439 PolarHBondContact O-N 2.84Å; S435-I440 WeakPolarHBondContact CA-O 3.33Å; S435-I440 VanDerWaalsContact CB-O 3.31Å; S435-I440 WeakPolarHBondContact CB-O 3.42Å; S435-I440 PolarHBondContact O-N 3.45Å; S435-I440 PolarHBondContact OG-O 2.83Å; S435-W508 PolarHBondContact O-NE1 2.95Å; S435-W508 PolarHBondContact OG-NE1 3.45Å
436	I	98.1	Very high	96.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-68.4	-45.3	176.1	-63.7	161	0	0	0	110.4	I432 H433 Y438 W508 V511 I562 F563	I432-I436 HydrophobicContact CG2-CD1 4.01Å; I432-I436 WeakPolarHBondContact O-CG1 3.45Å; I432-I436 PolarHBondContact O-N 3.33Å; H433-I436 PolarHBondContact O-N 3.25Å; I436-Y438 PolarHBondContact O-N 2.89Å; I436-W508 HydrophobicContact CD1-CD2 4.44Å; I436-W508 HydrophobicContact CD1-CE3 4.41Å; I436-W508 HydrophobicContact CD1-CZ3 4.45Å; I436-W508 HydrophobicContact CG1-CD2 3.54Å; I436-W508 HydrophobicContact CG1-CE3 3.98Å; I436-W508 HydrophobicContact CG1-CG 3.87Å; I436-W508 HydrophobicContact CG1-CH2 4.31Å; I436-W508 HydrophobicContact CG1-CZ2 3.93Å; I436-W508 HydrophobicContact CG1-CZ3 4.33Å; I436-V511 HydrophobicContact CD1-CG1 3.89Å; I436-V511 HydrophobicContact CD1-CG2 4.14Å; I436-V511 HydrophobicContact CG1-CG2 4.39Å; I436-I562 HydrophobicContact CD1-CG2 3.56Å; I436-F563 HydrophobicContact CG2-CE1 4.03Å
437	K	96.9	Very high	96.7	Very high	44 Å²	44	38 Å²	38	19%	0.191	18%	0.18	C	C	.	.	H	α-helix	trans	-63.3	-38.4	-178.7	-179	178.3	176.4	-175.6	0	113.6	V397 L401 H433 R434 E570	V397-K437 HydrophobicContact CG1-CG 4.37Å; L401-K437 HydrophobicContact CD1-CB 4.48Å; H433-K437 WeakPolarHBondContact O-CB 3.5Å; H433-K437 PolarHBondContact O-N 3.26Å; R434-K437 PolarHBondContact O-N 3.01Å; K437-E570 VanDerWaalsContact CD-OE1 3.31Å; K437-E570 WeakPolarHBondContact CD-OE1 3.29Å; K437-E570 WeakPolarHBondContact CE-OE1 3.46Å; K437-E570 IonicContact NZ-OE1 3.07Å; K437-E570 PolarHBondContact NZ-OE1 3.11Å; K437-E570 IonicContact NZ-OE2 2.8Å
438	Y	97	Very high	96.8	Very high	89 Å²	89	31.1 Å²	31.1	35%	0.349	15%	0.153	S	C	.	.	H	α-helix	trans	-108.8	0.1	-174.8	-61.6	-64.6	0	0	0	114.4	R434 I436 I440 V494 Q573	R434-Y438 HydrophobicContact CB-CD2 4.21Å; R434-Y438 HydrophobicContact CB-CE2 4.43Å; R434-Y438 WeakPolarHBondContact O-CB 3.31Å; R434-Y438 WeakPolarHBondContact O-CD2 3.3Å; R434-Y438 PolarHBondContact O-N 3.2Å; I436-Y438 PolarHBondContact O-N 2.89Å; Y438-I440 VanDerWaalsContact C-N 3.29Å; Y438-I440 PolarHBondContact O-N 2.9Å; Y438-V494 HydrophobicContact CD2-CB 4.41Å; Y438-V494 HydrophobicContact CD2-CG1 4.24Å; Y438-V494 HydrophobicContact CD2-CG2 4.25Å; Y438-V494 HydrophobicContact CE2-CB 4.28Å; Y438-V494 HydrophobicContact CE2-CG1 3.93Å; Y438-Q573 PolarHBondContact OH-NE2 3.36Å
439	S	98	Very high	97	Very high	43 Å²	43	35.5 Å²	35.5	30%	0.301	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	40.5	-179.3	-62	0	0	0	0	114.1	S435 E505 V506	S435-S439 VanDerWaalsContact O-CA 3.29Å; S435-S439 WeakPolarHBondContact O-CA 3.16Å; S435-S439 PolarHBondContact O-N 2.84Å; S439-E505 CarbonylContact O-C 3.47Å; S439-E505 WeakPolarHBondContact O-CA 3.38Å; S439-V506 CarbonylContact C-O 3.21Å; S439-V506 WeakPolarHBondContact CA-O 3.28Å; S439-V506 WeakPolarHBondContact CB-O 3.42Å; S439-V506 PolarHBondContact O-N 3.46Å
440	I	97.9	Very high	97.1	Very high	17 Å²	17	36.5 Å²	36.5	9%	0.087	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	160.8	-178.6	54.5	168.2	0	0	0	112.3	S435 Y438 A492 V494 W495 K503 F504 E505	S435-I440 WeakPolarHBondContact CA-O 3.33Å; S435-I440 VanDerWaalsContact CB-O 3.31Å; S435-I440 WeakPolarHBondContact CB-O 3.42Å; S435-I440 PolarHBondContact O-N 3.45Å; S435-I440 PolarHBondContact OG-O 2.83Å; Y438-I440 VanDerWaalsContact C-N 3.29Å; Y438-I440 PolarHBondContact O-N 2.9Å; I440-A492 HydrophobicContact CD1-CB 3.94Å; I440-V494 HydrophobicContact CD1-CG2 4.24Å; I440-W495 HydrophobicContact CD1-CH2 4.26Å; I440-W495 HydrophobicContact CD1-CZ2 4.08Å; I440-W495 HydrophobicContact CG1-CH2 4.02Å; I440-W495 HydrophobicContact CG1-CZ2 4.23Å; I440-K503 HydrophobicContact CB-CD 4.44Å; I440-K503 HydrophobicContact CB-CG 4.08Å; I440-K503 HydrophobicContact CD1-CD 4.05Å; I440-K503 HydrophobicContact CD1-CG 4.14Å; I440-K503 HydrophobicContact CG2-CD 3.98Å; I440-K503 HydrophobicContact CG2-CG 4.04Å; I440-F504 CarbonylContact C-O 3.43Å; I440-F504 WeakPolarHBondContact CA-O 3.29Å; I440-F504 WeakPolarHBondContact CB-O 3.49Å; I440-E505 HydrophobicContact CG2-CG 4.32Å
441	W	98.2	Very high	97.1	Very high	11 Å²	11	35.4 Å²	35.4	4%	0.042	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	162.7	169	-166.9	-111.7	0	0	0	112.6	I424 D431 I432 F468 W495 F504 V506	I424-W441 HydrophobicContact CG2-CZ2 3.52Å; D431-W441 HydrophobicContact CB-CH2 4.16Å; D431-W441 HydrophobicContact CB-CZ3 4.18Å; I432-W441 HydrophobicContact CD1-CH2 4.08Å; I432-W441 HydrophobicContact CD1-CZ3 4.26Å; W441-F468 AromaticContact CD2-CE1 3.68Å; W441-F468 HydrophobicContact CD2-CE1 3.68Å; W441-F468 HydrophobicContact CD2-CZ 4.19Å; W441-F468 AromaticContact CE2-CE1 3.82Å; W441-F468 AromaticContact CE3-CE1 3.79Å; W441-F468 HydrophobicContact CE3-CE1 3.79Å; W441-F468 HydrophobicContact CE3-CZ 4.44Å; W441-F468 HydrophobicContact CG-CE1 4.24Å; W441-F468 HydrophobicContact CG-CZ 4.3Å; W441-F468 HydrophobicContact CH2-CE1 4.17Å; W441-F468 HydrophobicContact CZ2-CE1 4.07Å; W441-F468 HydrophobicContact CZ3-CE1 4.02Å; W441-W495 HydrophobicContact CE3-CH2 4.14Å; W441-W495 HydrophobicContact CE3-CZ3 4.15Å; W441-W495 HydrophobicContact CZ3-CZ3 4.25Å; W441-F504 HydrophobicContact CB-CD2 4.45Å; W441-F504 HydrophobicContact CB-CE1 4.2Å; W441-F504 HydrophobicContact CB-CE2 3.87Å; W441-F504 HydrophobicContact CB-CZ 3.76Å; W441-F504 AromaticContact CD1-CE1 3.98Å; W441-F504 AromaticContact CD1-CZ 3.61Å; W441-F504 HydrophobicContact CG-CE1 4.5Å; W441-F504 HydrophobicContact CG-CZ 4.08Å; W441-F504 PolarHBondContact N-O 2.94Å; W441-F504 WeakPolarHBondContact O-CD1 3.41Å; W441-F504 PolarHBondContact O-N 2.65Å; W441-V506 HydrophobicContact CB-CG1 3.91Å; W441-V506 HydrophobicContact CB-CG2 4.46Å
442	C	96.3	Very high	97.2	Very high	7 Å²	7	35.6 Å²	35.6	5%	0.047	17%	0.166	C	C	.	.			trans	-145.3	131.8	165.7	-177	0	0	0	0	109	N448 W495 K501 G502	C442-N448 PolarHBondContact SG-ND2 3.47Å; C442-N448 VanDerWaalsContact SG-ND2 3.39Å; C442-W495 HydrophobicContact CB-CZ2 3.92Å; C442-K501 PolarHBondContact SG-O 3.31Å; C442-G502 WeakPolarHBondContact CB-O 3.35Å; C442-G502 PolarHBondContact SG-O 2.8Å; C442-G502 VanDerWaalsContact SG-O 3.32Å
443	S	95.3	Very high	97.2	Very high	5 Å²	5	38.4 Å²	38.4	4%	0.035	19%	0.19	C	C	.	.			trans	-99	-171.9	169.2	173.8	0	0	0	0	109.9	G447 N448 D537	S443-G447 WeakPolarHBondContact OG-CA 3.42Å; S443-N448 WeakPolarHBondContact CB-OD1 3.33Å; S443-N448 PolarHBondContact N-OD1 3.35Å; S443-N448 PolarHBondContact O-ND2 2.7Å; S443-D537 PolarHBondContact OG-OD2 3.49Å
444	T	94.4	Very high	97.2	Very high	52 Å²	52	38.4 Å²	38.4	32%	0.319	19%	0.19	S	C	.	.			trans	-53.4	159.4	159.6	64.5	0	0	0	0	111.4	H446 G447 N448 W500	T444-H446 VanDerWaalsContact C-N 3.27Å; T444-H446 PolarHBondContact O-N 3.41Å; T444-G447 PolarHBondContact O-N 2.83Å; T444-G447 VanDerWaalsContact O-N 3.12Å; T444-G447 PolarHBondContact OG1-N 2.82Å; T444-N448 WeakPolarHBondContact O-CB 3.45Å; T444-N448 PolarHBondContact O-N 3.46Å; T444-W500 HydrophobicContact CG2-CH2 4.35Å; T444-W500 HydrophobicContact CG2-CZ3 3.94Å
445	E	94.4	Very high	97.2	Very high	127 Å²	127	41.5 Å²	41.5	59%	0.593	20%	0.202	S	C	*	.	H	α-helix	trans	-56.8	-40.1	176.4	-167	-160.9	134.1	0	0	112.6	K449	E445-K449 WeakPolarHBondContact O-CG 3.36Å; E445-K449 PolarHBondContact O-N 3.34Å; E445-K449 WeakPolarHBondContact OE1-CE 3.15Å; E445-K449 IonicContact OE1-NZ 2.75Å; E445-K449 PolarHBondContact OE1-NZ 2.95Å
446	H	95.7	Very high	97.2	Very high	133 Å²	133	47.3 Å²	47.3	62%	0.616	22%	0.224	S	C	*	.	H	α-helix	trans	-65.3	-44.9	175.5	180	85.3	0	0	0	112	T444 K449 R450	T444-H446 VanDerWaalsContact C-N 3.27Å; T444-H446 PolarHBondContact O-N 3.41Å; H446-K449 PolarHBondContact O-N 2.64Å; H446-R450 PolarHBondContact O-N 2.88Å
447	G	97.6	Very high	97.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.7	-42.3	177.5	0	0	0	0	0	112.6	S443 T444 K449 R450 L451 T538	S443-G447 WeakPolarHBondContact OG-CA 3.42Å; T444-G447 PolarHBondContact O-N 2.83Å; T444-G447 VanDerWaalsContact O-N 3.12Å; T444-G447 PolarHBondContact OG1-N 2.82Å; G447-K449 VanDerWaalsContact C-N 3.35Å; G447-K449 PolarHBondContact O-N 2.6Å; G447-R450 PolarHBondContact O-N 2.81Å; G447-R450 VanDerWaalsContact O-N 3.13Å; G447-L451 WeakPolarHBondContact O-CB 3.41Å; G447-L451 VanDerWaalsContact O-CG 3.3Å; G447-L451 WeakPolarHBondContact O-CG 3.26Å; G447-L451 PolarHBondContact O-N 3Å; G447-T538 VanDerWaalsContact CA-CG2 3.47Å
448	N	97.4	Very high	97	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-55.9	-47.3	171.7	-77.7	-12.5	0	0	0	111.2	C442 S443 T444 R450 L451 D452 V486 Y488 K501	C442-N448 PolarHBondContact SG-ND2 3.47Å; C442-N448 VanDerWaalsContact SG-ND2 3.39Å; S443-N448 WeakPolarHBondContact CB-OD1 3.33Å; S443-N448 PolarHBondContact N-OD1 3.35Å; S443-N448 PolarHBondContact O-ND2 2.7Å; T444-N448 WeakPolarHBondContact O-CB 3.45Å; T444-N448 PolarHBondContact O-N 3.46Å; N448-R450 VanDerWaalsContact C-N 3.35Å; N448-R450 PolarHBondContact O-N 2.8Å; N448-L451 PolarHBondContact O-N 3.44Å; N448-D452 VanDerWaalsContact O-CB 3.29Å; N448-D452 WeakPolarHBondContact O-CB 3.42Å; N448-D452 PolarHBondContact O-N 3.12Å; N448-V486 HydrophobicContact CB-CG1 4.22Å; N448-Y488 HydrophobicContact CB-CE1 3.98Å; N448-K501 PolarHBondContact ND2-O 3.45Å
449	K	97.8	Very high	96.8	Very high	105 Å²	105	50.3 Å²	50.3	46%	0.457	25%	0.253	S	S	.	.	H	α-helix	trans	-59.3	-41.9	174.4	-75.6	169.3	173.3	173.9	0	112.7	E445 H446 G447 A453 Y488	E445-K449 WeakPolarHBondContact O-CG 3.36Å; E445-K449 PolarHBondContact O-N 3.34Å; E445-K449 WeakPolarHBondContact OE1-CE 3.15Å; E445-K449 IonicContact OE1-NZ 2.75Å; E445-K449 PolarHBondContact OE1-NZ 2.95Å; H446-K449 PolarHBondContact O-N 2.64Å; G447-K449 VanDerWaalsContact C-N 3.35Å; G447-K449 PolarHBondContact O-N 2.6Å; K449-A453 VanDerWaalsContact O-CB 3.3Å; K449-A453 WeakPolarHBondContact O-CB 3.35Å; K449-A453 PolarHBondContact O-N 3.1Å; K449-A453 VanDerWaalsContact O-N 3.12Å; K449-Y488 WeakPolarHBondContact CA-OH 3.39Å; K449-Y488 HydrophobicContact CG-CE1 3.97Å
450	R	98.1	Very high	96.3	Very high	93 Å²	93	52 Å²	52	35%	0.351	28%	0.277	S	S	.	.	H	α-helix	trans	-66.8	-43.7	178.2	-172	172.4	-174	154.2	2.7	112.5	F422 H446 G447 N448 A454 T538 E540	F422-R450 HydrophobicContact CE1-CG 4.26Å; H446-R450 PolarHBondContact O-N 2.88Å; G447-R450 PolarHBondContact O-N 2.81Å; G447-R450 VanDerWaalsContact O-N 3.13Å; N448-R450 VanDerWaalsContact C-N 3.35Å; N448-R450 PolarHBondContact O-N 2.8Å; R450-A454 VanDerWaalsContact O-CB 3.31Å; R450-A454 WeakPolarHBondContact O-CB 3.39Å; R450-A454 PolarHBondContact O-N 3.27Å; R450-T538 WeakPolarHBondContact CD-O 3.23Å; R450-T538 PolarHBondContact NE-O 2.82Å; R450-E540 IonicContact NH2-OE2 3.68Å
451	L	98.4	Very high	96	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-70.4	-42.3	179.8	-67.7	175.9	0	0	0	112.1	F422 I424 G447 N448 A454 Y455 L464 L466 M482 F504 T538	F422-L451 HydrophobicContact CB-CD2 3.96Å; F422-L451 HydrophobicContact CD1-CD2 4.07Å; F422-L451 HydrophobicContact CD2-CD2 3.85Å; F422-L451 HydrophobicContact CE2-CD2 4.38Å; F422-L451 HydrophobicContact CG-CD2 3.68Å; I424-L451 HydrophobicContact CD1-CD1 3.97Å; G447-L451 WeakPolarHBondContact O-CB 3.41Å; G447-L451 VanDerWaalsContact O-CG 3.3Å; G447-L451 WeakPolarHBondContact O-CG 3.26Å; G447-L451 PolarHBondContact O-N 3Å; N448-L451 PolarHBondContact O-N 3.44Å; L451-A454 PolarHBondContact O-N 2.8Å; L451-Y455 WeakPolarHBondContact O-CB 3.24Å; L451-Y455 PolarHBondContact O-N 2.7Å; L451-L464 HydrophobicContact CD2-CD2 4.4Å; L451-L466 HydrophobicContact CD1-CD2 4.48Å; L451-L466 HydrophobicContact CD2-CD2 3.8Å; L451-M482 HydrophobicContact CB-CE 4.29Å; L451-M482 HydrophobicContact CB-SD 4.11Å; L451-F504 HydrophobicContact CD1-CE1 4.05Å; L451-F504 HydrophobicContact CD1-CZ 3.69Å; L451-T538 HydrophobicContact CD1-CG2 3.84Å; L451-T538 HydrophobicContact CD2-CG2 4.28Å; L451-T538 HydrophobicContact CG-CG2 3.88Å
452	D	98.1	Very high	95.8	Very high	12 Å²	12	59.2 Å²	59.2	6%	0.064	31%	0.314	C	S	.	.	H	α-helix	trans	-63.4	-44.8	176.7	-167.3	49.3	0	0	0	111.7	N448 A454 Y455 R456 V485 V486 Y488	N448-D452 VanDerWaalsContact O-CB 3.29Å; N448-D452 WeakPolarHBondContact O-CB 3.42Å; N448-D452 PolarHBondContact O-N 3.12Å; D452-A454 VanDerWaalsContact C-N 3.32Å; D452-A454 PolarHBondContact O-N 3Å; D452-Y455 PolarHBondContact O-N 3.24Å; D452-R456 VanDerWaalsContact CG-NE 3.26Å; D452-R456 WeakPolarHBondContact O-CB 3.42Å; D452-R456 VanDerWaalsContact O-CG 3.25Å; D452-R456 WeakPolarHBondContact O-CG 3.39Å; D452-R456 PolarHBondContact O-N 3.11Å; D452-R456 IonicContact OD1-CZ 3.05Å; D452-R456 IonicContact OD1-NE 2.73Å; D452-R456 PolarHBondContact OD1-NE 2.85Å; D452-R456 IonicContact OD1-NH2 2.91Å; D452-R456 PolarHBondContact OD1-NH2 2.97Å; D452-R456 IonicContact OD2-CZ 2.7Å; D452-R456 VanDerWaalsContact OD2-CZ 3.28Å; D452-R456 IonicContact OD2-NE 3.14Å; D452-R456 PolarHBondContact OD2-NE 2.9Å; D452-R456 IonicContact OD2-NH2 3.99Å; D452-R456 PolarHBondContact OD2-NH2 2.96Å; D452-V485 WeakPolarHBondContact OD1-CA 3.42Å; D452-V485 WeakPolarHBondContact OD1-CB 3.41Å; D452-V486 HydrophobicContact CB-CB 3.97Å; D452-V486 HydrophobicContact CB-CG2 3.69Å; D452-V486 PolarHBondContact OD1-N 3.17Å; D452-Y488 WeakPolarHBondContact CB-OH 3.41Å; D452-Y488 PolarHBondContact OD2-OH 3.5Å
453	A	98.3	Very high	95.8	Very high	59 Å²	59	60.2 Å²	60.2	49%	0.488	32%	0.321	S	S	.	.	H	α-helix	trans	-60.8	-41.4	173.7	0	0	0	0	0	111.7	K449 S457	K449-A453 VanDerWaalsContact O-CB 3.3Å; K449-A453 WeakPolarHBondContact O-CB 3.35Å; K449-A453 PolarHBondContact O-N 3.1Å; K449-A453 VanDerWaalsContact O-N 3.12Å; A453-S457 VanDerWaalsContact O-CB 3.28Å; A453-S457 WeakPolarHBondContact O-CB 3.47Å; A453-S457 PolarHBondContact O-N 2.82Å; A453-S457 PolarHBondContact O-OG 3.39Å
454	A	98	Very high	96	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.008	32%	0.32	C	S	.	.	H	α-helix	trans	-66.5	-44.5	177.2	0	0	0	0	0	112.7	F422 R450 L451 D452 S457 L458 L464	F422-A454 HydrophobicContact CE2-CB 3.61Å; F422-A454 HydrophobicContact CZ-CB 3.47Å; F422-A454 VanDerWaalsContact CZ-CB 3.47Å; R450-A454 VanDerWaalsContact O-CB 3.31Å; R450-A454 WeakPolarHBondContact O-CB 3.39Å; R450-A454 PolarHBondContact O-N 3.27Å; L451-A454 PolarHBondContact O-N 2.8Å; D452-A454 VanDerWaalsContact C-N 3.32Å; D452-A454 PolarHBondContact O-N 3Å; A454-S457 WeakPolarHBondContact CA-OG 3.39Å; A454-S457 PolarHBondContact O-N 2.85Å; A454-S457 PolarHBondContact O-OG 3.18Å; A454-L458 PolarHBondContact O-N 2.58Å; A454-L464 HydrophobicContact CB-CD1 3.73Å
455	Y	97.9	Very high	96.2	Very high	71 Å²	71	58.8 Å²	58.8	28%	0.278	31%	0.309	S	S	.	.	H	α-helix	trans	-62.2	-46.8	177.2	-176.3	-95.4	0	0	0	111.4	L451 D452 S457 L458 L464 M482 K483 V485	L451-Y455 WeakPolarHBondContact O-CB 3.24Å; L451-Y455 PolarHBondContact O-N 2.7Å; D452-Y455 PolarHBondContact O-N 3.24Å; Y455-S457 PolarHBondContact O-N 3.34Å; Y455-L458 PolarHBondContact O-N 2.88Å; Y455-L464 HydrophobicContact CD2-CB 4.45Å; Y455-M482 HydrophobicContact CD2-CB 4.16Å; Y455-M482 HydrophobicContact CD2-CE 4.42Å; Y455-M482 HydrophobicContact CD2-CG 3.72Å; Y455-M482 HydrophobicContact CD2-SD 4.12Å; Y455-M482 HydrophobicContact CE2-CG 4.22Å; Y455-M482 WeakPolarHBondContact CE2-O 3.44Å; Y455-M482 HydrophobicContact CG-CE 4.08Å; Y455-M482 HydrophobicContact CG-CG 4.32Å; Y455-M482 HydrophobicContact CG-SD 4.26Å; Y455-K483 PolarHBondContact OH-O 2.86Å; Y455-V485 HydrophobicContact CD1-CG1 3.79Å; Y455-V485 HydrophobicContact CE1-CG1 3.93Å
456	R	97.4	Very high	96.4	Very high	123 Å²	123	52.7 Å²	52.7	46%	0.464	28%	0.281	S	S	.	.	H	α-helix	trans	-61.1	-41.6	174.4	-68.6	176	-160.7	-83.9	-3.5	112	D452 L458 N459 V485	D452-R456 VanDerWaalsContact CG-NE 3.26Å; D452-R456 WeakPolarHBondContact O-CB 3.42Å; D452-R456 VanDerWaalsContact O-CG 3.25Å; D452-R456 WeakPolarHBondContact O-CG 3.39Å; D452-R456 PolarHBondContact O-N 3.11Å; D452-R456 IonicContact OD1-CZ 3.05Å; D452-R456 IonicContact OD1-NE 2.73Å; D452-R456 PolarHBondContact OD1-NE 2.85Å; D452-R456 IonicContact OD1-NH2 2.91Å; D452-R456 PolarHBondContact OD1-NH2 2.97Å; D452-R456 IonicContact OD2-CZ 2.7Å; D452-R456 VanDerWaalsContact OD2-CZ 3.28Å; D452-R456 IonicContact OD2-NE 3.14Å; D452-R456 PolarHBondContact OD2-NE 2.9Å; D452-R456 IonicContact OD2-NH2 3.99Å; D452-R456 PolarHBondContact OD2-NH2 2.96Å; R456-L458 PolarHBondContact O-N 3.32Å; R456-N459 VanDerWaalsContact O-CG 3.24Å; R456-N459 PolarHBondContact O-N 3.25Å; R456-N459 PolarHBondContact O-ND2 3.15Å; R456-N459 VanDerWaalsContact O-ND2 3.14Å; R456-N459 PolarHBondContact O-OD1 3.01Å; R456-V485 HydrophobicContact CG-CG1 4.11Å
457	S	96.6	Very high	96.6	Very high	62 Å²	62	46.4 Å²	46.4	43%	0.434	25%	0.251	S	S	.	.	H	α-helix	trans	-65.1	-20.1	179.9	73.8	0	0	0	0	114.8	R420 A453 A454 Y455	R420-S457 PolarHBondContact NH1-OG 3.29Å; A453-S457 VanDerWaalsContact O-CB 3.28Å; A453-S457 WeakPolarHBondContact O-CB 3.47Å; A453-S457 PolarHBondContact O-N 2.82Å; A453-S457 PolarHBondContact O-OG 3.39Å; A454-S457 WeakPolarHBondContact CA-OG 3.39Å; A454-S457 PolarHBondContact O-N 2.85Å; A454-S457 PolarHBondContact O-OG 3.18Å; Y455-S457 PolarHBondContact O-N 3.34Å
458	L	94.8	Very high	96.6	Very high	12 Å²	12	46.4 Å²	46.4	6%	0.063	25%	0.251	C	S	.	.	H	α-helix	trans	-76.9	-25.4	173.5	-80.7	161.5	0	0	0	112.1	R420 A454 Y455 R456 G460 K461 L464	R420-L458 HydrophobicContact CB-CD1 4.16Å; R420-L458 HydrophobicContact CG-CD1 4.15Å; R420-L458 HydrophobicContact CG-CD2 4.23Å; R420-L458 HydrophobicContact CG-CG 4.22Å; A454-L458 PolarHBondContact O-N 2.58Å; Y455-L458 PolarHBondContact O-N 2.88Å; R456-L458 PolarHBondContact O-N 3.32Å; L458-G460 PolarHBondContact O-N 2.9Å; L458-K461 WeakPolarHBondContact O-CB 3.38Å; L458-K461 WeakPolarHBondContact O-CG 3.23Å; L458-K461 PolarHBondContact O-N 3.05Å; L458-L464 HydrophobicContact CD1-CB 3.78Å; L458-L464 HydrophobicContact CD1-CD1 4.36Å; L458-L464 HydrophobicContact CD1-CG 4.36Å
459	N	91.5	Very high	96.7	Very high	123 Å²	123	46.4 Å²	46.4	66%	0.658	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	36.4	-178.1	-59.7	109.9	0	0	0	113.9	R456 K461	R456-N459 VanDerWaalsContact O-CG 3.24Å; R456-N459 PolarHBondContact O-N 3.25Å; R456-N459 PolarHBondContact O-ND2 3.15Å; R456-N459 VanDerWaalsContact O-ND2 3.14Å; R456-N459 PolarHBondContact O-OD1 3.01Å; N459-K461 VanDerWaalsContact C-N 3.26Å; N459-K461 PolarHBondContact O-N 3.02Å
460	G	88.8	Confident	96.7	Very high	78 Å²	78	41.9 Å²	41.9	80%	0.804	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.2	0.3	-176.6	0	0	0	0	0	116	L458 G462	L458-G460 PolarHBondContact O-N 2.9Å; G460-G462 PolarHBondContact O-N 2.83Å
461	K	91.4	Very high	96.7	Very high	157 Å²	157	40.5 Å²	40.5	68%	0.683	23%	0.233	S	C	*	.	S	Bend	trans	-76.5	2.6	-176.5	-57.3	172.8	-179.2	174	0	114.5	N418 L458 N459	N418-K461 PolarHBondContact ND2-O 3.29Å; L458-K461 WeakPolarHBondContact O-CB 3.38Å; L458-K461 WeakPolarHBondContact O-CG 3.23Å; L458-K461 PolarHBondContact O-N 3.05Å; N459-K461 VanDerWaalsContact C-N 3.26Å; N459-K461 PolarHBondContact O-N 3.02Å
462	G	93.9	Very high	96.6	Very high	23 Å²	23	44.7 Å²	44.7	24%	0.237	28%	0.275	C	S	.	.	S	Bend	trans	173.1	161	-179.5	0	0	0	0	0	111.4	G460	G460-G462 PolarHBondContact O-N 2.83Å
463	P	96.9	Very high	96.6	Very high	28 Å²	28	45.7 Å²	45.7	18%	0.182	28%	0.283	C	S	.	.			trans	-72.8	156.4	-179	30.7	-35.7	0	0	0	112.3	L416 G419 R420 Y465 E481	L416-P463 HydrophobicContact CD2-CG 3.57Å; G419-P463 CarbonylContact C-O 3.41Å; G419-P463 WeakPolarHBondContact CA-O 3.34Å; R420-P463 PolarHBondContact N-O 3.05Å; P463-Y465 HydrophobicContact CB-CD1 4.19Å; P463-Y465 HydrophobicContact CB-CE1 3.76Å; P463-Y465 HydrophobicContact CB-CE2 4.5Å; P463-Y465 HydrophobicContact CG-CE1 4.22Å; P463-Y465 HydrophobicContact CG-CE2 4.11Å; P463-E481 HydrophobicContact CB-CG 4.04Å
464	L	98.4	Very high	96.5	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	108.6	163.1	-166.8	162.7	0	0	0	108.6	R420 F422 L451 A454 Y455 L458 L466 E481 M482	R420-L464 HydrophobicContact CB-CG 4.46Å; R420-L464 CarbonylContact O-C 3.47Å; R420-L464 VanDerWaalsContact O-CA 3.28Å; R420-L464 WeakPolarHBondContact O-CA 3.31Å; F422-L464 HydrophobicContact CD2-CD1 4.36Å; F422-L464 HydrophobicContact CD2-CD2 3.77Å; F422-L464 HydrophobicContact CD2-CG 4.08Å; F422-L464 HydrophobicContact CE2-CD1 4Å; F422-L464 HydrophobicContact CE2-CD2 4.23Å; F422-L464 HydrophobicContact CE2-CG 4.08Å; L451-L464 HydrophobicContact CD2-CD2 4.4Å; A454-L464 HydrophobicContact CB-CD1 3.73Å; Y455-L464 HydrophobicContact CD2-CB 4.45Å; L458-L464 HydrophobicContact CD1-CB 3.78Å; L458-L464 HydrophobicContact CD1-CD1 4.36Å; L458-L464 HydrophobicContact CD1-CG 4.36Å; L464-L466 HydrophobicContact CD2-CD2 3.46Å; L464-L466 VanDerWaalsContact CD2-CD2 3.46Å; L464-L466 HydrophobicContact CD2-CG 4.06Å; L464-E481 WeakPolarHBondContact O-CA 3.32Å; L464-M482 HydrophobicContact CB-CB 4.25Å; L464-M482 HydrophobicContact CD1-SD 4.14Å; L464-M482 HydrophobicContact CD2-CB 4Å; L464-M482 HydrophobicContact CD2-SD 4.19Å; L464-M482 PolarHBondContact O-N 2.92Å
465	Y	98.7	Very high	96.6	Very high	24 Å²	24	46.5 Å²	46.5	9%	0.094	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	145.6	178.4	-64.3	-37.8	0	0	0	112.6	F412 L416 R420 V421 F422 P463 V479 A480 E481 I509 L550	F412-Y465 HydrophobicContact CE2-CE2 4.28Å; F412-Y465 AromaticContact CE2-CZ 3.97Å; F412-Y465 HydrophobicContact CZ-CD2 4.46Å; F412-Y465 AromaticContact CZ-CE2 3.65Å; F412-Y465 HydrophobicContact CZ-CE2 3.65Å; F412-Y465 AromaticContact CZ-CZ 3.82Å; L416-Y465 HydrophobicContact CD1-CD2 3.86Å; L416-Y465 HydrophobicContact CD1-CE2 3.91Å; L416-Y465 HydrophobicContact CD2-CE2 3.82Å; L416-Y465 HydrophobicContact CG-CE2 4.21Å; R420-Y465 PolarHBondContact O-N 3.03Å; V421-Y465 WeakPolarHBondContact CA-O 3.41Å; V421-Y465 HydrophobicContact CG2-CD2 4.46Å; F422-Y465 PolarHBondContact N-O 2.61Å; P463-Y465 HydrophobicContact CB-CD1 4.19Å; P463-Y465 HydrophobicContact CB-CE1 3.76Å; P463-Y465 HydrophobicContact CB-CE2 4.5Å; P463-Y465 HydrophobicContact CG-CE1 4.22Å; P463-Y465 HydrophobicContact CG-CE2 4.11Å; Y465-V479 HydrophobicContact CG-CG1 4.46Å; Y465-A480 CarbonylContact C-O 3.41Å; Y465-A480 WeakPolarHBondContact CA-O 3.4Å; Y465-E481 HydrophobicContact CD1-CB 3.8Å; Y465-E481 HydrophobicContact CD1-CG 3.84Å; Y465-E481 HydrophobicContact CE1-CB 3.88Å; Y465-E481 HydrophobicContact CE1-CG 3.78Å; Y465-I509 HydrophobicContact CD1-CD1 4.21Å; Y465-I509 HydrophobicContact CE1-CD1 3.57Å; Y465-L550 HydrophobicContact CD2-CD1 3.88Å; Y465-L550 HydrophobicContact CD2-CD2 4.18Å; Y465-L550 HydrophobicContact CE2-CD1 4.26Å
466	L	98.9	Very high	96.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116.4	-177.7	-60.9	-177	0	0	0	108.4	F422 I424 L451 L464 F468 V479 A480 M482 F504 V506	F422-L466 HydrophobicContact CB-CD2 4Å; F422-L466 WeakPolarHBondContact O-CA 3.42Å; I424-L466 HydrophobicContact CD1-CD2 4.1Å; I424-L466 HydrophobicContact CG1-CB 3.86Å; I424-L466 HydrophobicContact CG1-CD1 4.35Å; I424-L466 HydrophobicContact CG1-CD2 4.03Å; I424-L466 HydrophobicContact CG1-CG 4.3Å; L451-L466 HydrophobicContact CD1-CD2 4.48Å; L451-L466 HydrophobicContact CD2-CD2 3.8Å; L464-L466 HydrophobicContact CD2-CD2 3.46Å; L464-L466 VanDerWaalsContact CD2-CD2 3.46Å; L464-L466 HydrophobicContact CD2-CG 4.06Å; L466-F468 HydrophobicContact CB-CD2 4.23Å; L466-F468 HydrophobicContact CB-CE2 3.55Å; L466-F468 HydrophobicContact CB-CZ 4.16Å; L466-F468 HydrophobicContact CD1-CE2 4.47Å; L466-F468 HydrophobicContact CD1-CZ 4.37Å; L466-F468 VanDerWaalsContact O-CD2 3.31Å; L466-F468 WeakPolarHBondContact O-CD2 3.3Å; L466-V479 VanDerWaalsContact O-CA 3.3Å; L466-V479 WeakPolarHBondContact O-CA 3.45Å; L466-A480 PolarHBondContact N-O 2.85Å; L466-A480 PolarHBondContact O-N 3.3Å; L466-M482 HydrophobicContact CD1-CB 4.36Å; L466-F504 HydrophobicContact CD1-CE2 3.72Å; L466-F504 HydrophobicContact CD1-CZ 4.05Å; L466-V506 HydrophobicContact CD1-CG1 4.01Å
467	L	98.8	Very high	96.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	105.4	-177.6	-54.8	179.7	0	0	0	108.9	V421 F422 I423 I424 F476 V479 V541 V549 L550 I553	V421-L467 HydrophobicContact CG1-CD1 3.6Å; V421-L467 HydrophobicContact CG1-CD2 4.17Å; V421-L467 HydrophobicContact CG1-CG 3.68Å; F422-L467 PolarHBondContact O-N 3.41Å; I423-L467 HydrophobicContact CD1-CB 3.99Å; I423-L467 HydrophobicContact CD1-CD1 3.79Å; I423-L467 HydrophobicContact CD1-CG 4.4Å; I424-L467 PolarHBondContact N-O 3.45Å; L467-F476 HydrophobicContact CB-CD1 4.04Å; L467-F476 HydrophobicContact CB-CE1 3.86Å; L467-V479 HydrophobicContact CD2-CB 4.32Å; L467-V479 HydrophobicContact CD2-CG1 3.9Å; L467-V479 HydrophobicContact CD2-CG2 3.57Å; L467-V541 HydrophobicContact CD1-CG2 4.48Å; L467-V549 HydrophobicContact CD1-CB 4.39Å; L467-V549 HydrophobicContact CD1-CG1 3.65Å; L467-L550 HydrophobicContact CD2-CD2 3.91Å; L467-I553 HydrophobicContact CD2-CD1 4.13Å
468	F	98.8	Very high	96.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	132.6	-171.3	-73.5	-99.1	0	0	0	112.3	I424 I432 W441 L466 F476 C477 G478 A480 W508	I424-F468 HydrophobicContact CB-CD1 3.87Å; I424-F468 HydrophobicContact CB-CE1 3.98Å; I424-F468 HydrophobicContact CB-CG 4.24Å; I424-F468 HydrophobicContact CB-CZ 4.4Å; I424-F468 HydrophobicContact CG1-CE1 4.34Å; I424-F468 HydrophobicContact CG1-CZ 4.3Å; I424-F468 HydrophobicContact CG2-CD1 3.57Å; I424-F468 HydrophobicContact CG2-CE1 3.5Å; I424-F468 HydrophobicContact CG2-CG 4.42Å; I424-F468 HydrophobicContact CG2-CZ 4.27Å; I432-F468 HydrophobicContact CD1-CB 4.35Å; I432-F468 HydrophobicContact CD1-CD1 3.61Å; I432-F468 HydrophobicContact CD1-CE1 4.38Å; I432-F468 HydrophobicContact CD1-CG 4.38Å; W441-F468 AromaticContact CD2-CE1 3.68Å; W441-F468 HydrophobicContact CD2-CE1 3.68Å; W441-F468 HydrophobicContact CD2-CZ 4.19Å; W441-F468 AromaticContact CE2-CE1 3.82Å; W441-F468 AromaticContact CE3-CE1 3.79Å; W441-F468 HydrophobicContact CE3-CE1 3.79Å; W441-F468 HydrophobicContact CE3-CZ 4.44Å; W441-F468 HydrophobicContact CG-CE1 4.24Å; W441-F468 HydrophobicContact CG-CZ 4.3Å; W441-F468 HydrophobicContact CH2-CE1 4.17Å; W441-F468 HydrophobicContact CZ2-CE1 4.07Å; W441-F468 HydrophobicContact CZ3-CE1 4.02Å; L466-F468 HydrophobicContact CB-CD2 4.23Å; L466-F468 HydrophobicContact CB-CE2 3.55Å; L466-F468 HydrophobicContact CB-CZ 4.16Å; L466-F468 HydrophobicContact CD1-CE2 4.47Å; L466-F468 HydrophobicContact CD1-CZ 4.37Å; L466-F468 VanDerWaalsContact O-CD2 3.31Å; L466-F468 WeakPolarHBondContact O-CD2 3.3Å; F468-F476 CarbonylContact O-C 3.59Å; F468-F476 VanDerWaalsContact O-CA 3.27Å; F468-F476 WeakPolarHBondContact O-CA 3.33Å; F468-F476 WeakPolarHBondContact O-CD1 3.45Å; F468-C477 PolarHBondContact O-N 3.09Å; F468-G478 PolarHBondContact N-O 3.41Å; F468-A480 HydrophobicContact CD2-CB 4.48Å; F468-A480 HydrophobicContact CE2-CB 3.72Å; F468-W508 HydrophobicContact CB-CH2 3.77Å; F468-W508 HydrophobicContact CB-CZ3 4.21Å; F468-W508 AromaticContact CD1-CH2 3.69Å; F468-W508 HydrophobicContact CD1-CH2 3.69Å; F468-W508 AromaticContact CD1-CZ2 3.95Å; F468-W508 HydrophobicContact CD1-CZ2 3.95Å; F468-W508 AromaticContact CD2-CH2 3.5Å; F468-W508 HydrophobicContact CD2-CH2 3.5Å; F468-W508 AromaticContact CD2-CZ2 3.96Å; F468-W508 HydrophobicContact CD2-CZ2 3.96Å; F468-W508 AromaticContact CD2-CZ3 3.9Å; F468-W508 HydrophobicContact CD2-CZ3 3.9Å; F468-W508 HydrophobicContact CE1-CH2 4.09Å; F468-W508 AromaticContact CE1-CZ2 3.85Å; F468-W508 HydrophobicContact CE1-CZ2 3.85Å; F468-W508 AromaticContact CE2-CH2 3.94Å; F468-W508 HydrophobicContact CE2-CH2 3.94Å; F468-W508 AromaticContact CE2-CZ2 3.9Å; F468-W508 HydrophobicContact CE2-CZ2 3.9Å; F468-W508 HydrophobicContact CE2-CZ3 4.48Å; F468-W508 AromaticContact CG-CH2 3.37Å; F468-W508 HydrophobicContact CG-CH2 3.37Å; F468-W508 AromaticContact CG-CZ2 3.99Å; F468-W508 HydrophobicContact CG-CZ2 3.99Å; F468-W508 HydrophobicContact CG-CZ3 4.06Å; F468-W508 HydrophobicContact CZ-CH2 4.21Å; F468-W508 AromaticContact CZ-CZ2 3.85Å; F468-W508 HydrophobicContact CZ-CZ2 3.85Å
469	S	98.6	Very high	96.9	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	125.8	173	171.2	0	0	0	0	109.5	I424 K425 H475	I424-S469 PolarHBondContact O-N 3.05Å; K425-S469 WeakPolarHBondContact CA-O 3.41Å; K425-S469 WeakPolarHBondContact CD-O 3.47Å; K425-S469 WeakPolarHBondContact CE-O 3.45Å; K425-S469 PolarHBondContact NZ-O 2.85Å; K425-S469 PolarHBondContact NZ-OG 3.02Å; S469-H475 WeakPolarHBondContact CB-O 3.27Å; S469-H475 PolarHBondContact OG-O 3.37Å
470	V	98.4	Very high	97.3	Very high	9 Å²	9	28.4 Å²	28.4	6%	0.055	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	151.2	177.3	-178.5	0	0	0	0	110.6	K425 S426 E429 I432 G472 S473	K425-V470 PolarHBondContact NZ-O 3.06Å; S426-V470 CarbonylContact O-C 3.58Å; E429-V470 HydrophobicContact CG-CB 4.43Å; E429-V470 HydrophobicContact CG-CG1 4.23Å; E429-V470 HydrophobicContact CG-CG2 3.83Å; I432-V470 HydrophobicContact CD1-CG2 4.4Å; I432-V470 HydrophobicContact CG1-CG2 3.75Å; V470-G472 PolarHBondContact O-N 2.83Å; V470-S473 PolarHBondContact O-OG 2.86Å
471	N	97.4	Very high	97.7	Very high	65 Å²	65	26.5 Å²	26.5	35%	0.348	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	128.8	175.5	-72.7	-37.6	0	0	0	110.4	K425 S426 Y427 S473	K425-N471 WeakPolarHBondContact CE-OD1 3.47Å; S426-N471 PolarHBondContact O-N 3.43Å; S426-N471 PolarHBondContact O-ND2 3.04Å; Y427-N471 WeakPolarHBondContact CD1-ND2 3.34Å; Y427-N471 WeakPolarHBondContact CE1-ND2 3.43Å; N471-S473 VanDerWaalsContact C-N 3.27Å; N471-S473 PolarHBondContact O-N 3.4Å
472	G	97.1	Very high	98	Very high	87 Å²	87	19.1 Å²	19.1	90%	0.897	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.3	-11.4	-178.7	0	0	0	0	0	116.7	V470 G474	V470-G472 PolarHBondContact O-N 2.83Å; G472-G474 VanDerWaalsContact C-N 3.29Å; G472-G474 PolarHBondContact O-N 2.76Å
473	S	97	Very high	98.2	Very high	33 Å²	33	22.1 Å²	22.1	23%	0.231	15%	0.146	C	C	.	.	S	Bend	trans	-72.2	-16.6	-172.3	80.6	0	0	0	0	115.3	V470 N471 H475	V470-S473 PolarHBondContact O-OG 2.86Å; N471-S473 VanDerWaalsContact C-N 3.27Å; N471-S473 PolarHBondContact O-N 3.4Å; S473-H475 VanDerWaalsContact C-N 3.27Å; S473-H475 WeakPolarHBondContact CB-CE1 3.28Å; S473-H475 PolarHBondContact O-N 2.81Å; S473-H475 PolarHBondContact O-ND1 3.3Å; S473-H475 PolarHBondContact OG-CE1 3.45Å; S473-H475 VanDerWaalsContact OG-CE1 3.32Å; S473-H475 PolarHBondContact OG-ND1 2.89Å; S473-H475 PolarHBondContact OG-O 3.45Å
474	G	98.1	Very high	98.3	Very high	42 Å²	42	22 Å²	22	43%	0.433	15%	0.146	S	C	.	.	S	Bend	trans	74.1	9	178.5	0	0	0	0	0	115.5	G472 N516	G472-G474 VanDerWaalsContact C-N 3.29Å; G472-G474 PolarHBondContact O-N 2.76Å; G474-N516 VanDerWaalsContact C-CG 3.43Å; G474-N516 VanDerWaalsContact O-CB 3.22Å; G474-N516 WeakPolarHBondContact O-CB 3.45Å; G474-N516 PolarHBondContact O-N 2.95Å
475	H	98.6	Very high	98.2	Very high	36 Å²	36	24.8 Å²	24.8	17%	0.167	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	165.2	-178.4	63.2	-92.5	0	0	0	112.3	S469 S473 D513 V514 N516	S469-H475 WeakPolarHBondContact CB-O 3.27Å; S469-H475 PolarHBondContact OG-O 3.37Å; S473-H475 VanDerWaalsContact C-N 3.27Å; S473-H475 WeakPolarHBondContact CB-CE1 3.28Å; S473-H475 PolarHBondContact O-N 2.81Å; S473-H475 PolarHBondContact O-ND1 3.3Å; S473-H475 PolarHBondContact OG-CE1 3.45Å; S473-H475 VanDerWaalsContact OG-CE1 3.32Å; S473-H475 PolarHBondContact OG-ND1 2.89Å; S473-H475 PolarHBondContact OG-O 3.45Å; H475-D513 IonicContact CD2-OD1 2.86Å; H475-D513 IonicContact NE2-OD1 3.49Å; H475-V514 WeakPolarHBondContact CA-O 3.22Å; H475-V514 WeakPolarHBondContact CB-O 3.47Å; H475-N516 WeakPolarHBondContact CA-OD1 3.41Å
476	F	98.8	Very high	98.2	Very high	3 Å²	3	23.9 Å²	23.9	1%	0.013	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	134.6	159.6	-77.2	-102.8	0	0	0	108.7	I423 L467 F468 D513 V514 L519 T533	I423-F476 HydrophobicContact CD1-CE1 3.96Å; I423-F476 HydrophobicContact CD1-CZ 4.1Å; I423-F476 HydrophobicContact CG2-CE1 4.14Å; I423-F476 HydrophobicContact CG2-CZ 4.34Å; L467-F476 HydrophobicContact CB-CD1 4.04Å; L467-F476 HydrophobicContact CB-CE1 3.86Å; F468-F476 CarbonylContact O-C 3.59Å; F468-F476 VanDerWaalsContact O-CA 3.27Å; F468-F476 WeakPolarHBondContact O-CA 3.33Å; F468-F476 WeakPolarHBondContact O-CD1 3.45Å; F476-D513 CarbonylContact O-C 3.49Å; F476-D513 WeakPolarHBondContact O-CA 3.04Å; F476-V514 PolarHBondContact N-O 3.17Å; F476-V514 PolarHBondContact O-N 2.89Å; F476-L519 HydrophobicContact CB-CD1 4.46Å; F476-L519 HydrophobicContact CD2-CD1 3.49Å; F476-L519 VanDerWaalsContact CD2-CD1 3.49Å; F476-L519 HydrophobicContact CE2-CD1 3.92Å; F476-L519 HydrophobicContact CG-CD1 4.07Å; F476-T533 HydrophobicContact CE2-CG2 4.32Å
477	C	98.4	Very high	98	Very high	6 Å²	6	27.7 Å²	27.7	4%	0.041	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	-9	-174.9	52.5	0	0	0	0	113.6	F468 K512	F468-C477 PolarHBondContact O-N 3.09Å; C477-K512 CarbonylContact C-O 3.6Å; C477-K512 CarbonylContact O-C 3.51Å; C477-K512 PolarHBondContact O-N 2.87Å; C477-K512 VanDerWaalsContact O-O 3.12Å
478	G	98.1	Very high	97.8	Very high	2 Å²	2	31.5 Å²	31.5	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.7	-171.7	173.3	0	0	0	0	0	115.3	F468 F510	F468-G478 PolarHBondContact N-O 3.41Å; G478-F510 CarbonylContact C-O 3.55Å; G478-F510 WeakPolarHBondContact CA-O 3.15Å
479	V	98.8	Very high	97.5	Very high	0 Å²	0	39 Å²	39	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	132.7	-179.8	-176.9	0	0	0	0	109.2	Y465 L466 L467 I509 F510 L550 I553	Y465-V479 HydrophobicContact CG-CG1 4.46Å; L466-V479 VanDerWaalsContact O-CA 3.3Å; L466-V479 WeakPolarHBondContact O-CA 3.45Å; L467-V479 HydrophobicContact CD2-CB 4.32Å; L467-V479 HydrophobicContact CD2-CG1 3.9Å; L467-V479 HydrophobicContact CD2-CG2 3.57Å; V479-I509 PolarHBondContact O-N 3.32Å; V479-F510 HydrophobicContact CB-CB 4.12Å; V479-F510 HydrophobicContact CB-CD2 4.1Å; V479-F510 HydrophobicContact CG2-CB 4.22Å; V479-F510 HydrophobicContact CG2-CD2 4.2Å; V479-F510 PolarHBondContact N-O 3.01Å; V479-F510 PolarHBondContact O-N 3.02Å; V479-L550 HydrophobicContact CG1-CD2 4.3Å; V479-I553 HydrophobicContact CG2-CD1 3.94Å; V479-I553 HydrophobicContact CG2-CG2 3.93Å
480	A	98.7	Very high	97.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	159.5	169.1	0	0	0	0	0	111.5	Y465 L466 F468 V506 K507 W508	Y465-A480 CarbonylContact C-O 3.41Å; Y465-A480 WeakPolarHBondContact CA-O 3.4Å; L466-A480 PolarHBondContact N-O 2.85Å; L466-A480 PolarHBondContact O-N 3.3Å; F468-A480 HydrophobicContact CD2-CB 4.48Å; F468-A480 HydrophobicContact CE2-CB 3.72Å; A480-V506 HydrophobicContact CB-CB 4Å; A480-V506 HydrophobicContact CB-CG2 4.33Å; A480-K507 CarbonylContact C-O 3.59Å; A480-K507 VanDerWaalsContact CA-O 3.24Å; A480-K507 WeakPolarHBondContact CA-O 3.36Å; A480-K507 WeakPolarHBondContact CB-O 3.46Å; A480-W508 HydrophobicContact CB-CB 4.43Å; A480-W508 HydrophobicContact CB-CD2 3.92Å; A480-W508 HydrophobicContact CB-CE3 4.38Å; A480-W508 HydrophobicContact CB-CG 3.94Å
481	E	98.3	Very high	96.4	Very high	38 Å²	38	44.7 Å²	44.7	18%	0.178	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	131.4	169.8	-166.9	-164.9	150.7	0	0	109.6	P463 L464 Y465 K483 V506 K507 I509	P463-E481 HydrophobicContact CB-CG 4.04Å; L464-E481 WeakPolarHBondContact O-CA 3.32Å; Y465-E481 HydrophobicContact CD1-CB 3.8Å; Y465-E481 HydrophobicContact CD1-CG 3.84Å; Y465-E481 HydrophobicContact CE1-CB 3.88Å; Y465-E481 HydrophobicContact CE1-CG 3.78Å; E481-K483 VanDerWaalsContact CD-CE 3.41Å; E481-K483 PolarHBondContact O-N 3.06Å; E481-K483 WeakPolarHBondContact OE1-CE 3.44Å; E481-K483 IonicContact OE1-NZ 3.45Å; E481-K483 PolarHBondContact OE1-NZ 2.94Å; E481-K483 WeakPolarHBondContact OE2-CE 3.45Å; E481-K483 IonicContact OE2-NZ 3.35Å; E481-K483 PolarHBondContact OE2-NZ 3.44Å; E481-V506 CarbonylContact O-C 3.57Å; E481-V506 VanDerWaalsContact O-CA 3.23Å; E481-V506 WeakPolarHBondContact O-CA 3.49Å; E481-K507 PolarHBondContact N-O 2.83Å; E481-K507 PolarHBondContact O-N 3.21Å; E481-I509 HydrophobicContact CB-CD1 4.03Å
482	M	98.4	Very high	95.9	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	127.8	172	-176.7	167.4	177.5	0	0	109.6	L451 Y455 L464 L466 S484 V486 F504	L451-M482 HydrophobicContact CB-CE 4.29Å; L451-M482 HydrophobicContact CB-SD 4.11Å; Y455-M482 HydrophobicContact CD2-CB 4.16Å; Y455-M482 HydrophobicContact CD2-CE 4.42Å; Y455-M482 HydrophobicContact CD2-CG 3.72Å; Y455-M482 HydrophobicContact CD2-SD 4.12Å; Y455-M482 HydrophobicContact CE2-CG 4.22Å; Y455-M482 WeakPolarHBondContact CE2-O 3.44Å; Y455-M482 HydrophobicContact CG-CE 4.08Å; Y455-M482 HydrophobicContact CG-CG 4.32Å; Y455-M482 HydrophobicContact CG-SD 4.26Å; L464-M482 HydrophobicContact CB-CB 4.25Å; L464-M482 HydrophobicContact CD1-SD 4.14Å; L464-M482 HydrophobicContact CD2-CB 4Å; L464-M482 HydrophobicContact CD2-SD 4.19Å; L464-M482 PolarHBondContact O-N 2.92Å; L466-M482 HydrophobicContact CD1-CB 4.36Å; M482-S484 WeakPolarHBondContact CE-O 3.39Å; M482-V486 HydrophobicContact CE-CG2 3.96Å; M482-F504 HydrophobicContact CB-CE2 4.43Å; M482-F504 HydrophobicContact CE-CB 4.25Å; M482-F504 HydrophobicContact CE-CD1 4.48Å; M482-F504 HydrophobicContact CE-CD2 3.92Å; M482-F504 HydrophobicContact CE-CE2 4.27Å; M482-F504 HydrophobicContact CE-CG 3.99Å; M482-F504 HydrophobicContact CG-CD2 3.71Å; M482-F504 HydrophobicContact CG-CE2 3.88Å; M482-F504 HydrophobicContact SD-CD2 4.04Å; M482-F504 HydrophobicContact SD-CE2 3.92Å; M482-F504 HydrophobicContact SD-CZ 4.45Å
483	K	97.9	Very high	95.4	Very high	87 Å²	87	39.1 Å²	39.1	38%	0.378	22%	0.216	S	C	.	.			trans	-114	-16.7	-172.6	-72.5	-58.5	-171.9	-173.2	0	115.1	Y455 E481 E505 K507	Y455-K483 PolarHBondContact OH-O 2.86Å; E481-K483 VanDerWaalsContact CD-CE 3.41Å; E481-K483 PolarHBondContact O-N 3.06Å; E481-K483 WeakPolarHBondContact OE1-CE 3.44Å; E481-K483 IonicContact OE1-NZ 3.45Å; E481-K483 PolarHBondContact OE1-NZ 2.94Å; E481-K483 WeakPolarHBondContact OE2-CE 3.45Å; E481-K483 IonicContact OE2-NZ 3.35Å; E481-K483 PolarHBondContact OE2-NZ 3.44Å; K483-E505 HydrophobicContact CB-CB 4.17Å; K483-E505 PolarHBondContact N-O 3.4Å; K483-K507 HydrophobicContact CD-CB 4.5Å; K483-K507 HydrophobicContact CG-CB 3.89Å
484	S	97.8	Very high	94.9	Very high	26 Å²	26	38.7 Å²	38.7	18%	0.182	21%	0.211	C	C	.	.	S	Bend	trans	-129.6	164.5	173.2	78.7	0	0	0	0	112.1	M482 F504 E505	M482-S484 WeakPolarHBondContact CE-O 3.39Å; S484-F504 WeakPolarHBondContact OG-CA 3.39Å; S484-E505 PolarHBondContact OG-N 2.88Å
485	V	97.4	Very high	94.6	Very high	59 Å²	59	37.2 Å²	37.2	36%	0.358	19%	0.193	S	C	.	.			trans	-61.1	164.3	156.4	-69.5	0	0	0	0	111	D452 Y455 R456	D452-V485 WeakPolarHBondContact OD1-CA 3.42Å; D452-V485 WeakPolarHBondContact OD1-CB 3.41Å; Y455-V485 HydrophobicContact CD1-CG1 3.79Å; Y455-V485 HydrophobicContact CE1-CG1 3.93Å; R456-V485 HydrophobicContact CG-CG1 4.11Å
486	V	97.5	Very high	94	Very high	6 Å²	6	37.1 Å²	37.1	4%	0.036	20%	0.196	C	C	.	.			trans	-81.2	123	173.7	-177.7	0	0	0	0	110.7	N448 D452 M482 Y488 F504	N448-V486 HydrophobicContact CB-CG1 4.22Å; D452-V486 HydrophobicContact CB-CB 3.97Å; D452-V486 HydrophobicContact CB-CG2 3.69Å; D452-V486 PolarHBondContact OD1-N 3.17Å; M482-V486 HydrophobicContact CE-CG2 3.96Å; V486-Y488 HydrophobicContact CB-CD2 4.41Å; V486-Y488 HydrophobicContact CB-CE1 4.42Å; V486-Y488 HydrophobicContact CB-CE2 3.92Å; V486-Y488 HydrophobicContact CG1-CD1 3.97Å; V486-Y488 HydrophobicContact CG1-CD2 4.08Å; V486-Y488 HydrophobicContact CG1-CE1 3.89Å; V486-Y488 HydrophobicContact CG1-CE2 3.99Å; V486-Y488 HydrophobicContact CG1-CG 4.07Å; V486-Y488 WeakPolarHBondContact O-CD2 3.3Å; V486-F504 HydrophobicContact CG2-CB 4.1Å; V486-F504 HydrophobicContact CG2-CD1 3.71Å; V486-F504 HydrophobicContact CG2-CE1 4.42Å; V486-F504 HydrophobicContact CG2-CG 4.16Å
487	D	96.1	Very high	93.3	Very high	79 Å²	79	40.5 Å²	40.5	42%	0.422	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-84.9	115.2	157.1	179.4	-8.6	0	0	0	107.7	N489 A490 G502 K503	D487-N489 WeakPolarHBondContact OD1-CA 3.47Å; D487-N489 PolarHBondContact OD1-N 3.01Å; D487-A490 HydrophobicContact CB-CB 3.93Å; D487-A490 PolarHBondContact OD1-N 3.33Å; D487-A490 WeakPolarHBondContact OD2-CB 3.31Å; D487-G502 CarbonylContact O-C 3.56Å; D487-G502 WeakPolarHBondContact O-CA 3.25Å; D487-K503 PolarHBondContact N-O 3.39Å; D487-K503 PolarHBondContact O-N 3.49Å
488	Y	94.8	Very high	92.4	Very high	80 Å²	80	44.9 Å²	44.9	31%	0.314	24%	0.235	S	C	.	.	S	Bend	trans	-83.3	-16.6	-179.4	-63.5	-91.9	0	0	0	113.5	N448 K449 D452 V486	N448-Y488 HydrophobicContact CB-CE1 3.98Å; K449-Y488 WeakPolarHBondContact CA-OH 3.39Å; K449-Y488 HydrophobicContact CG-CE1 3.97Å; D452-Y488 WeakPolarHBondContact CB-OH 3.41Å; D452-Y488 PolarHBondContact OD2-OH 3.5Å; V486-Y488 HydrophobicContact CB-CD2 4.41Å; V486-Y488 HydrophobicContact CB-CE1 4.42Å; V486-Y488 HydrophobicContact CB-CE2 3.92Å; V486-Y488 HydrophobicContact CG1-CD1 3.97Å; V486-Y488 HydrophobicContact CG1-CD2 4.08Å; V486-Y488 HydrophobicContact CG1-CE1 3.89Å; V486-Y488 HydrophobicContact CG1-CE2 3.99Å; V486-Y488 HydrophobicContact CG1-CG 4.07Å; V486-Y488 WeakPolarHBondContact O-CD2 3.3Å
489	N	91.4	Very high	91.6	Very high	157 Å²	157	50.4 Å²	50.4	84%	0.84	26%	0.258	S	S	*	.	S	Bend	trans	-92.1	-23	-179.8	-62.1	-47.9	0	0	0	111.7	D487 Y491	D487-N489 WeakPolarHBondContact OD1-CA 3.47Å; D487-N489 PolarHBondContact OD1-N 3.01Å; N489-Y491 PolarHBondContact O-N 3.32Å
490	A	89.6	Confident	90.8	Very high	18 Å²	18	52 Å²	52	15%	0.149	27%	0.265	C	S	.	.			trans	-55.2	125.7	173.7	0	0	0	0	0	112.1	D487 G502 K503	D487-A490 HydrophobicContact CB-CB 3.93Å; D487-A490 PolarHBondContact OD1-N 3.33Å; D487-A490 WeakPolarHBondContact OD2-CB 3.31Å; A490-G502 CarbonylContact O-C 3.54Å; A490-G502 VanDerWaalsContact O-CA 3.28Å; A490-G502 WeakPolarHBondContact O-CA 2.9Å; A490-G502 PolarHBondContact O-N 2.96Å; A490-K503 HydrophobicContact CB-CB 3.57Å
491	Y	85	Confident	90.3	Very high	113 Å²	113	59.5 Å²	59.5	44%	0.443	30%	0.297	S	S	.	.			trans	-105.3	110.2	164.5	-168.3	-109	0	0	0	108.9	N489 G493 D498	N489-Y491 PolarHBondContact O-N 3.32Å; Y491-G493 VanDerWaalsContact C-N 3.31Å; Y491-G493 VanDerWaalsContact CE1-CA 3.46Å; Y491-G493 PolarHBondContact O-N 3.32Å; Y491-D498 WeakPolarHBondContact OH-CA 3.24Å; Y491-D498 WeakPolarHBondContact OH-CB 3.08Å; Y491-D498 VanDerWaalsContact OH-CG 3.24Å; Y491-D498 PolarHBondContact OH-O 2.99Å; Y491-D498 PolarHBondContact OH-OD1 2.82Å
492	A	85.8	Confident	90	Very high	24 Å²	24	57.7 Å²	57.7	20%	0.198	29%	0.289	C	S	.	.			trans	-71.3	-27.5	-178.4	0	0	0	0	0	112.6	I440 V494 W495 K503	I440-A492 HydrophobicContact CD1-CB 3.94Å; A492-V494 HydrophobicContact CB-CG2 4.1Å; A492-V494 PolarHBondContact O-N 2.65Å; A492-W495 HydrophobicContact CB-CZ2 4.37Å; A492-K503 HydrophobicContact CB-CD 4.37Å; A492-K503 HydrophobicContact CB-CG 4.41Å
493	G	86.2	Confident	89.8	Confident	12 Å²	12	60.9 Å²	60.9	12%	0.124	30%	0.303	C	S	.	.	S	Bend	trans	65.7	1.8	176.5	0	0	0	0	0	116.5	Y491 R580	Y491-G493 VanDerWaalsContact C-N 3.31Å; Y491-G493 VanDerWaalsContact CE1-CA 3.46Å; Y491-G493 PolarHBondContact O-N 3.32Å; G493-R580 PolarHBondContact O-NH1 3.02Å; G493-R580 PolarHBondContact O-NH2 2.8Å
494	V	88.1	Confident	89.8	Confident	23 Å²	23	56.8 Å²	56.8	14%	0.139	29%	0.285	C	S	.	.			trans	-104.1	-12.8	-179.1	-63.1	0	0	0	0	114.2	R434 Y438 I440 A492	R434-V494 WeakPolarHBondContact CD-O 3.21Å; R434-V494 PolarHBondContact NH1-O 2.83Å; Y438-V494 HydrophobicContact CD2-CB 4.41Å; Y438-V494 HydrophobicContact CD2-CG1 4.24Å; Y438-V494 HydrophobicContact CD2-CG2 4.25Å; Y438-V494 HydrophobicContact CE2-CB 4.28Å; Y438-V494 HydrophobicContact CE2-CG1 3.93Å; I440-V494 HydrophobicContact CD1-CG2 4.24Å; A492-V494 HydrophobicContact CB-CG2 4.1Å; A492-V494 PolarHBondContact O-N 2.65Å
495	W	90.7	Very high	89.9	Confident	11 Å²	11	60.3 Å²	60.3	4%	0.042	30%	0.298	C	S	.	.	S	Bend	trans	-69.6	153	-174.7	-54.6	125.5	0	0	0	113.2	D431 I440 W441 C442 A492 Q497 W500	D431-W495 HydrophobicContact CB-CE3 4.32Å; D431-W495 WeakPolarHBondContact OD1-CA 3.43Å; I440-W495 HydrophobicContact CD1-CH2 4.26Å; I440-W495 HydrophobicContact CD1-CZ2 4.08Å; I440-W495 HydrophobicContact CG1-CH2 4.02Å; I440-W495 HydrophobicContact CG1-CZ2 4.23Å; W441-W495 HydrophobicContact CE3-CH2 4.14Å; W441-W495 HydrophobicContact CE3-CZ3 4.15Å; W441-W495 HydrophobicContact CZ3-CZ3 4.25Å; C442-W495 HydrophobicContact CB-CZ2 3.92Å; A492-W495 HydrophobicContact CB-CZ2 4.37Å; W495-Q497 PolarHBondContact O-N 2.87Å; W495-W500 HydrophobicContact CB-CB 4.48Å; W495-W500 HydrophobicContact CG-CB 4.23Å
496	S	85.4	Confident	89.9	Confident	34 Å²	34	57.6 Å²	57.6	24%	0.238	28%	0.282	C	S	.	.	S	Bend	trans	-59.7	-15	178.7	72.1	0	0	0	0	114.5	D431	D431-S496 VanDerWaalsContact CG-OG 3.31Å; D431-S496 WeakPolarHBondContact OD1-CB 3.17Å; D431-S496 PolarHBondContact OD1-N 2.84Å; D431-S496 PolarHBondContact OD1-OG 3.43Å; D431-S496 WeakPolarHBondContact OD2-CB 3.46Å; D431-S496 PolarHBondContact OD2-OG 3.35Å
497	Q	84.1	Confident	90	Very high	74 Å²	74	62.1 Å²	62.1	35%	0.346	30%	0.301	S	S	.	.	S	Bend	trans	-139.9	123	176.2	-60.1	-178.1	13.3	0	0	109.1	W495 K499 W500	W495-Q497 PolarHBondContact O-N 2.87Å; Q497-K499 HydrophobicContact CB-CD 4.35Å; Q497-K499 HydrophobicContact CB-CG 4.18Å; Q497-K499 PolarHBondContact O-N 2.9Å; Q497-W500 VanDerWaalsContact O-CD1 3.27Å; Q497-W500 PolarHBondContact O-N 2.93Å
498	D	79.6	Confident	90.1	Very high	98 Å²	98	58.5 Å²	58.5	52%	0.524	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	6.6	-179	-76.2	-53.5	0	0	0	114.7	Y491 R580	Y491-D498 WeakPolarHBondContact OH-CA 3.24Å; Y491-D498 WeakPolarHBondContact OH-CB 3.08Å; Y491-D498 VanDerWaalsContact OH-CG 3.24Å; Y491-D498 PolarHBondContact OH-O 2.99Å; Y491-D498 PolarHBondContact OH-OD1 2.82Å; D498-R580 IonicContact OD1-NH1 3.14Å; D498-R580 PolarHBondContact OD1-NH1 3.28Å
499	K	82.9	Confident	90.2	Very high	118 Å²	118	55.6 Å²	55.6	51%	0.513	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-20.7	-179.5	78.1	-172.3	-171.8	-164.8	0	114.1	Q497 K501	Q497-K499 HydrophobicContact CB-CD 4.35Å; Q497-K499 HydrophobicContact CB-CG 4.18Å; Q497-K499 PolarHBondContact O-N 2.9Å; K499-K501 PolarHBondContact O-N 2.79Å
500	W	81	Confident	90.6	Very high	35 Å²	35	48.1 Å²	48.1	13%	0.133	23%	0.231	C	C	.	.			trans	-79.2	112.1	-171.1	-59.6	123.1	0	0	0	110.8	Y427 T444 W495 Q497	Y427-W500 HydrophobicContact CD2-CH2 4.44Å; Y427-W500 HydrophobicContact CD2-CZ2 4.15Å; Y427-W500 HydrophobicContact CE2-CH2 4.35Å; T444-W500 HydrophobicContact CG2-CH2 4.35Å; T444-W500 HydrophobicContact CG2-CZ3 3.94Å; W495-W500 HydrophobicContact CB-CB 4.48Å; W495-W500 HydrophobicContact CG-CB 4.23Å; Q497-W500 VanDerWaalsContact O-CD1 3.27Å; Q497-W500 PolarHBondContact O-N 2.93Å
501	K	87.6	Confident	91	Very high	157 Å²	157	47.3 Å²	47.3	68%	0.683	22%	0.224	S	C	*	.			trans	-107.1	137.7	-179.3	-68.3	-171.9	179.2	-176.3	0	111.9	C442 N448 K499	C442-K501 PolarHBondContact SG-O 3.31Å; N448-K501 PolarHBondContact ND2-O 3.45Å; K499-K501 PolarHBondContact O-N 2.79Å
502	G	91.8	Very high	91.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.205	C	C	.	.			trans	100.4	165	-174.9	0	0	0	0	0	112.6	C442 D487 A490	C442-G502 WeakPolarHBondContact CB-O 3.35Å; C442-G502 PolarHBondContact SG-O 2.8Å; C442-G502 VanDerWaalsContact SG-O 3.32Å; D487-G502 CarbonylContact O-C 3.56Å; D487-G502 WeakPolarHBondContact O-CA 3.25Å; A490-G502 CarbonylContact O-C 3.54Å; A490-G502 VanDerWaalsContact O-CA 3.28Å; A490-G502 WeakPolarHBondContact O-CA 2.9Å; A490-G502 PolarHBondContact O-N 2.96Å
503	K	96.1	Very high	92.2	Very high	68 Å²	68	42.3 Å²	42.3	30%	0.296	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-155.1	141.8	-179.2	-165.2	-168.3	72.9	164	0	109.8	I440 D487 A490 A492	I440-K503 HydrophobicContact CB-CD 4.44Å; I440-K503 HydrophobicContact CB-CG 4.08Å; I440-K503 HydrophobicContact CD1-CD 4.05Å; I440-K503 HydrophobicContact CD1-CG 4.14Å; I440-K503 HydrophobicContact CG2-CD 3.98Å; I440-K503 HydrophobicContact CG2-CG 4.04Å; D487-K503 PolarHBondContact N-O 3.39Å; D487-K503 PolarHBondContact O-N 3.49Å; A490-K503 HydrophobicContact CB-CB 3.57Å; A492-K503 HydrophobicContact CB-CD 4.37Å; A492-K503 HydrophobicContact CB-CG 4.41Å
504	F	98	Very high	92.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	157.7	162.5	61.2	-90.2	0	0	0	110.5	I440 W441 L451 L466 M482 S484 V486 V506	I440-F504 CarbonylContact C-O 3.43Å; I440-F504 WeakPolarHBondContact CA-O 3.29Å; I440-F504 WeakPolarHBondContact CB-O 3.49Å; W441-F504 HydrophobicContact CB-CD2 4.45Å; W441-F504 HydrophobicContact CB-CE1 4.2Å; W441-F504 HydrophobicContact CB-CE2 3.87Å; W441-F504 HydrophobicContact CB-CZ 3.76Å; W441-F504 AromaticContact CD1-CE1 3.98Å; W441-F504 AromaticContact CD1-CZ 3.61Å; W441-F504 HydrophobicContact CG-CE1 4.5Å; W441-F504 HydrophobicContact CG-CZ 4.08Å; W441-F504 PolarHBondContact N-O 2.94Å; W441-F504 WeakPolarHBondContact O-CD1 3.41Å; W441-F504 PolarHBondContact O-N 2.65Å; L451-F504 HydrophobicContact CD1-CE1 4.05Å; L451-F504 HydrophobicContact CD1-CZ 3.69Å; L466-F504 HydrophobicContact CD1-CE2 3.72Å; L466-F504 HydrophobicContact CD1-CZ 4.05Å; M482-F504 HydrophobicContact CB-CE2 4.43Å; M482-F504 HydrophobicContact CE-CB 4.25Å; M482-F504 HydrophobicContact CE-CD1 4.48Å; M482-F504 HydrophobicContact CE-CD2 3.92Å; M482-F504 HydrophobicContact CE-CE2 4.27Å; M482-F504 HydrophobicContact CE-CG 3.99Å; M482-F504 HydrophobicContact CG-CD2 3.71Å; M482-F504 HydrophobicContact CG-CE2 3.88Å; M482-F504 HydrophobicContact SD-CD2 4.04Å; M482-F504 HydrophobicContact SD-CE2 3.92Å; M482-F504 HydrophobicContact SD-CZ 4.45Å; S484-F504 WeakPolarHBondContact OG-CA 3.39Å; V486-F504 HydrophobicContact CG2-CB 4.1Å; V486-F504 HydrophobicContact CG2-CD1 3.71Å; V486-F504 HydrophobicContact CG2-CE1 4.42Å; V486-F504 HydrophobicContact CG2-CG 4.16Å; F504-V506 HydrophobicContact CD2-CG1 3.73Å; F504-V506 HydrophobicContact CE2-CG1 3.47Å; F504-V506 VanDerWaalsContact CE2-CG1 3.47Å
505	E	98.3	Very high	93.3	Very high	101 Å²	101	43 Å²	43	47%	0.472	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	142.9	-178.4	-64.3	177.8	178.1	0	0	111.1	S439 I440 K483 S484	S439-E505 CarbonylContact O-C 3.47Å; S439-E505 WeakPolarHBondContact O-CA 3.38Å; I440-E505 HydrophobicContact CG2-CG 4.32Å; K483-E505 HydrophobicContact CB-CB 4.17Å; K483-E505 PolarHBondContact N-O 3.4Å; S484-E505 PolarHBondContact OG-N 2.88Å
506	V	98.6	Very high	93.7	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	135.5	176.7	-59.8	0	0	0	0	111	S439 W441 L466 A480 E481 F504	S439-V506 CarbonylContact C-O 3.21Å; S439-V506 WeakPolarHBondContact CA-O 3.28Å; S439-V506 WeakPolarHBondContact CB-O 3.42Å; S439-V506 PolarHBondContact O-N 3.46Å; W441-V506 HydrophobicContact CB-CG1 3.91Å; W441-V506 HydrophobicContact CB-CG2 4.46Å; L466-V506 HydrophobicContact CD1-CG1 4.01Å; A480-V506 HydrophobicContact CB-CB 4Å; A480-V506 HydrophobicContact CB-CG2 4.33Å; E481-V506 CarbonylContact O-C 3.57Å; E481-V506 VanDerWaalsContact O-CA 3.23Å; E481-V506 WeakPolarHBondContact O-CA 3.49Å; F504-V506 HydrophobicContact CD2-CG1 3.73Å; F504-V506 HydrophobicContact CE2-CG1 3.47Å; F504-V506 VanDerWaalsContact CE2-CG1 3.47Å
507	K	98.3	Very high	94.3	Very high	100 Å²	100	46.6 Å²	46.6	44%	0.435	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	110	169.3	-175.5	179.1	-177.8	179.3	0	109.1	A480 E481 K483	A480-K507 CarbonylContact C-O 3.59Å; A480-K507 VanDerWaalsContact CA-O 3.24Å; A480-K507 WeakPolarHBondContact CA-O 3.36Å; A480-K507 WeakPolarHBondContact CB-O 3.46Å; E481-K507 PolarHBondContact N-O 2.83Å; E481-K507 PolarHBondContact O-N 3.21Å; K483-K507 HydrophobicContact CD-CB 4.5Å; K483-K507 HydrophobicContact CG-CB 3.89Å
508	W	98.5	Very high	95	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.011	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	130.7	173.7	-76.3	83.8	0	0	0	110.8	Y407 I432 S435 I436 F468 A480 V511	Y407-W508 HydrophobicContact CD1-CB 4.39Å; Y407-W508 HydrophobicContact CE1-CB 3.79Å; I432-W508 HydrophobicContact CD1-CH2 4.47Å; I432-W508 HydrophobicContact CG2-CH2 3.79Å; I432-W508 HydrophobicContact CG2-CZ2 4.25Å; S435-W508 PolarHBondContact O-NE1 2.95Å; S435-W508 PolarHBondContact OG-NE1 3.45Å; I436-W508 HydrophobicContact CD1-CD2 4.44Å; I436-W508 HydrophobicContact CD1-CE3 4.41Å; I436-W508 HydrophobicContact CD1-CZ3 4.45Å; I436-W508 HydrophobicContact CG1-CD2 3.54Å; I436-W508 HydrophobicContact CG1-CE3 3.98Å; I436-W508 HydrophobicContact CG1-CG 3.87Å; I436-W508 HydrophobicContact CG1-CH2 4.31Å; I436-W508 HydrophobicContact CG1-CZ2 3.93Å; I436-W508 HydrophobicContact CG1-CZ3 4.33Å; F468-W508 HydrophobicContact CB-CH2 3.77Å; F468-W508 HydrophobicContact CB-CZ3 4.21Å; F468-W508 AromaticContact CD1-CH2 3.69Å; F468-W508 HydrophobicContact CD1-CH2 3.69Å; F468-W508 AromaticContact CD1-CZ2 3.95Å; F468-W508 HydrophobicContact CD1-CZ2 3.95Å; F468-W508 AromaticContact CD2-CH2 3.5Å; F468-W508 HydrophobicContact CD2-CH2 3.5Å; F468-W508 AromaticContact CD2-CZ2 3.96Å; F468-W508 HydrophobicContact CD2-CZ2 3.96Å; F468-W508 AromaticContact CD2-CZ3 3.9Å; F468-W508 HydrophobicContact CD2-CZ3 3.9Å; F468-W508 HydrophobicContact CE1-CH2 4.09Å; F468-W508 AromaticContact CE1-CZ2 3.85Å; F468-W508 HydrophobicContact CE1-CZ2 3.85Å; F468-W508 AromaticContact CE2-CH2 3.94Å; F468-W508 HydrophobicContact CE2-CH2 3.94Å; F468-W508 AromaticContact CE2-CZ2 3.9Å; F468-W508 HydrophobicContact CE2-CZ2 3.9Å; F468-W508 HydrophobicContact CE2-CZ3 4.48Å; F468-W508 AromaticContact CG-CH2 3.37Å; F468-W508 HydrophobicContact CG-CH2 3.37Å; F468-W508 AromaticContact CG-CZ2 3.99Å; F468-W508 HydrophobicContact CG-CZ2 3.99Å; F468-W508 HydrophobicContact CG-CZ3 4.06Å; F468-W508 HydrophobicContact CZ-CH2 4.21Å; F468-W508 AromaticContact CZ-CZ2 3.85Å; F468-W508 HydrophobicContact CZ-CZ2 3.85Å; A480-W508 HydrophobicContact CB-CB 4.43Å; A480-W508 HydrophobicContact CB-CD2 3.92Å; A480-W508 HydrophobicContact CB-CE3 4.38Å; A480-W508 HydrophobicContact CB-CG 3.94Å; W508-V511 HydrophobicContact CB-CG2 4.25Å; W508-V511 HydrophobicContact CD2-CG2 4.46Å; W508-V511 HydrophobicContact CE3-CG2 3.87Å
509	I	98.2	Very high	95.9	Very high	19 Å²	19	42.1 Å²	42.1	10%	0.097	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-51.8	-177.2	-61.3	176.3	0	0	0	109.8	Y407 N408 P409 F412 Y465 V479 E481	Y407-I509 CarbonylContact C-O 3.58Å; Y407-I509 WeakPolarHBondContact CA-O 3.31Å; N408-I509 PolarHBondContact N-O 3.45Å; P409-I509 WeakPolarHBondContact CD-O 3.25Å; P409-I509 HydrophobicContact CG-CG2 3.89Å; F412-I509 HydrophobicContact CD2-CG2 3.92Å; F412-I509 HydrophobicContact CE2-CD1 4.26Å; F412-I509 HydrophobicContact CE2-CG2 3.89Å; Y465-I509 HydrophobicContact CD1-CD1 4.21Å; Y465-I509 HydrophobicContact CE1-CD1 3.57Å; V479-I509 PolarHBondContact O-N 3.32Å; E481-I509 HydrophobicContact CB-CD1 4.03Å
510	F	98.5	Very high	96.6	Very high	1 Å²	1	44 Å²	44	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	132.9	173.3	-69.2	-75.7	0	0	0	109.7	N408 P409 F412 G478 V479 K512 I553 A554	N408-F510 HydrophobicContact CB-CD1 4.28Å; N408-F510 VanDerWaalsContact OD1-CA 3.29Å; N408-F510 WeakPolarHBondContact OD1-CA 3.42Å; N408-F510 WeakPolarHBondContact OD1-CD1 3.47Å; P409-F510 HydrophobicContact CG-CZ 4.46Å; F412-F510 HydrophobicContact CB-CE2 4.18Å; F412-F510 HydrophobicContact CB-CZ 3.7Å; F412-F510 AromaticContact CD1-CE2 3.65Å; F412-F510 HydrophobicContact CD1-CE2 3.65Å; F412-F510 AromaticContact CD1-CZ 3.9Å; F412-F510 HydrophobicContact CD1-CZ 3.9Å; F412-F510 AromaticContact CD2-CE2 3.8Å; F412-F510 HydrophobicContact CD2-CE2 3.8Å; F412-F510 HydrophobicContact CD2-CZ 4.16Å; F412-F510 AromaticContact CE1-CE2 3.89Å; F412-F510 HydrophobicContact CE1-CE2 3.89Å; F412-F510 HydrophobicContact CE2-CE2 4.04Å; F412-F510 AromaticContact CG-CE2 3.59Å; F412-F510 HydrophobicContact CG-CE2 3.59Å; F412-F510 AromaticContact CG-CZ 3.65Å; F412-F510 HydrophobicContact CG-CZ 3.65Å; F412-F510 HydrophobicContact CZ-CE2 4.07Å; G478-F510 CarbonylContact C-O 3.55Å; G478-F510 WeakPolarHBondContact CA-O 3.15Å; V479-F510 HydrophobicContact CB-CB 4.12Å; V479-F510 HydrophobicContact CB-CD2 4.1Å; V479-F510 HydrophobicContact CG2-CB 4.22Å; V479-F510 HydrophobicContact CG2-CD2 4.2Å; V479-F510 PolarHBondContact N-O 3.01Å; V479-F510 PolarHBondContact O-N 3.02Å; F510-K512 HydrophobicContact CD1-CD 4.46Å; F510-I553 HydrophobicContact CB-CG2 4.28Å; F510-I553 HydrophobicContact CD2-CG2 4.27Å; F510-I553 HydrophobicContact CG-CG2 4.15Å; F510-A554 HydrophobicContact CE1-CB 4.35Å; F510-A554 HydrophobicContact CE2-CB 4.34Å; F510-A554 HydrophobicContact CZ-CB 3.74Å
511	V	98.4	Very high	97.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	94.4	171.4	-178.7	0	0	0	0	105.7	Y407 N408 I436 W508 I562 F563	Y407-V511 HydrophobicContact CD1-CG2 4.14Å; Y407-V511 HydrophobicContact CE1-CG2 4.34Å; N408-V511 PolarHBondContact ND2-O 3.06Å; N408-V511 PolarHBondContact OD1-N 2.95Å; N408-V511 PolarHBondContact OD1-O 2.69Å; I436-V511 HydrophobicContact CD1-CG1 3.89Å; I436-V511 HydrophobicContact CD1-CG2 4.14Å; I436-V511 HydrophobicContact CG1-CG2 4.39Å; W508-V511 HydrophobicContact CB-CG2 4.25Å; W508-V511 HydrophobicContact CD2-CG2 4.46Å; W508-V511 HydrophobicContact CE3-CG2 3.87Å; V511-I562 HydrophobicContact CG1-CG2 3.67Å; V511-F563 HydrophobicContact CB-CD2 4.27Å; V511-F563 HydrophobicContact CB-CE1 4.36Å; V511-F563 HydrophobicContact CB-CE2 3.59Å; V511-F563 HydrophobicContact CB-CZ 3.65Å; V511-F563 HydrophobicContact CG1-CD1 4.07Å; V511-F563 HydrophobicContact CG1-CD2 3.91Å; V511-F563 HydrophobicContact CG1-CE1 3.82Å; V511-F563 HydrophobicContact CG1-CE2 3.63Å; V511-F563 HydrophobicContact CG1-CG 4.14Å; V511-F563 HydrophobicContact CG1-CZ 3.59Å; V511-F563 HydrophobicContact CG2-CE1 4.47Å; V511-F563 HydrophobicContact CG2-CE2 4.23Å; V511-F563 HydrophobicContact CG2-CZ 3.8Å
512	K	97.9	Very high	97.9	Very high	10 Å²	10	40.8 Å²	40.8	4%	0.043	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.1	147.8	-175.1	56.6	177.2	-172.9	171.8	0	112	C477 F510 I553 A554 F556 H558	C477-K512 CarbonylContact C-O 3.6Å; C477-K512 CarbonylContact O-C 3.51Å; C477-K512 PolarHBondContact O-N 2.87Å; C477-K512 VanDerWaalsContact O-O 3.12Å; F510-K512 HydrophobicContact CD1-CD 4.46Å; K512-I553 WeakPolarHBondContact CE-O 3.32Å; K512-I553 PolarHBondContact NZ-O 2.69Å; K512-A554 PolarHBondContact NZ-O 2.72Å; K512-F556 PolarHBondContact NZ-O 3.18Å; K512-H558 HydrophobicContact CB-CB 3.75Å; K512-H558 WeakPolarHBondContact CB-CD2 3.49Å; K512-H558 VanDerWaalsContact CB-CG 3.4Å; K512-H558 HydrophobicContact CD-CB 4.17Å; K512-H558 HydrophobicContact CG-CB 4.44Å
513	D	98.5	Very high	98.2	Very high	22 Å²	22	47.2 Å²	47.2	12%	0.118	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	127.8	-177.6	-55.5	-23.2	0	0	0	111.9	H475 F476 F556 T560 S561	H475-D513 IonicContact CD2-OD1 2.86Å; H475-D513 IonicContact NE2-OD1 3.49Å; F476-D513 CarbonylContact O-C 3.49Å; F476-D513 WeakPolarHBondContact O-CA 3.04Å; D513-F556 WeakPolarHBondContact O-CD1 3.39Å; D513-F556 VanDerWaalsContact O-CE1 3.23Å; D513-F556 WeakPolarHBondContact O-CE1 3.43Å; D513-T560 WeakPolarHBondContact CB-O 3.33Å; D513-T560 PolarHBondContact N-O 3.48Å; D513-T560 VanDerWaalsContact OD2-C 3.27Å; D513-T560 VanDerWaalsContact OD2-CB 3.28Å; D513-T560 WeakPolarHBondContact OD2-CB 3.45Å; D513-T560 PolarHBondContact OD2-OG1 3.29Å; D513-S561 PolarHBondContact OD2-N 2.91Å
514	V	98.7	Very high	98.4	Very high	1 Å²	1	44 Å²	44	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	103.2	176.8	-176.3	0	0	0	0	108.2	H475 F476 Q518 L519 I552 I553 F556	H475-V514 WeakPolarHBondContact CA-O 3.22Å; H475-V514 WeakPolarHBondContact CB-O 3.47Å; F476-V514 PolarHBondContact N-O 3.17Å; F476-V514 PolarHBondContact O-N 2.89Å; V514-Q518 HydrophobicContact CG1-CB 4.34Å; V514-L519 HydrophobicContact CG1-CD1 4.09Å; V514-L519 HydrophobicContact CG1-CG 4.36Å; V514-I552 HydrophobicContact CG1-CG2 4.41Å; V514-I553 HydrophobicContact CB-CG1 4.47Å; V514-I553 HydrophobicContact CG1-CG1 4.34Å; V514-I553 HydrophobicContact CG2-CB 4.42Å; V514-I553 HydrophobicContact CG2-CG1 4.18Å; V514-I553 HydrophobicContact CG2-CG2 4.25Å; V514-F556 HydrophobicContact CB-CD1 4.35Å; V514-F556 HydrophobicContact CG1-CB 4.38Å; V514-F556 HydrophobicContact CG1-CD1 4.36Å; V514-F556 HydrophobicContact CG1-CG 4.24Å; V514-F556 HydrophobicContact CG2-CB 4.17Å; V514-F556 HydrophobicContact CG2-CD1 3.92Å; V514-F556 HydrophobicContact CG2-CG 4.29Å
515	P	98.6	Very high	98.3	Very high	49 Å²	49	48.5 Å²	48.5	32%	0.318	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	143.2	-174.9	-26.1	35.5	0	0	0	113.5	N517 Q518 F556	P515-N517 PolarHBondContact O-N 2.92Å; P515-Q518 WeakPolarHBondContact O-CB 3.27Å; P515-Q518 PolarHBondContact O-N 2.9Å; P515-F556 HydrophobicContact CG-CZ 4.29Å
516	N	98.5	Very high	98.3	Very high	36 Å²	36	47.1 Å²	47.1	19%	0.193	22%	0.218	C	C	.	.	H	α-helix	trans	-58.5	-22	-177.5	-77.6	-3.9	0	0	0	113.5	G474 H475 Q518 L519 R520 T533	G474-N516 VanDerWaalsContact C-CG 3.43Å; G474-N516 VanDerWaalsContact O-CB 3.22Å; G474-N516 WeakPolarHBondContact O-CB 3.45Å; G474-N516 PolarHBondContact O-N 2.95Å; H475-N516 WeakPolarHBondContact CA-OD1 3.41Å; N516-Q518 PolarHBondContact O-N 3.48Å; N516-L519 PolarHBondContact O-N 3.39Å; N516-L519 VanDerWaalsContact O-N 3.15Å; N516-R520 VanDerWaalsContact O-CB 3.31Å; N516-R520 WeakPolarHBondContact O-CB 3.4Å; N516-R520 PolarHBondContact O-N 3.35Å; N516-T533 HydrophobicContact CB-CG2 3.64Å
517	N	98.3	Very high	98.3	Very high	85 Å²	85	48.2 Å²	48.2	46%	0.455	22%	0.223	S	C	.	.	H	α-helix	trans	-63.7	-24.4	175.3	70.2	2.9	0	0	0	113.5	P515	P515-N517 PolarHBondContact O-N 2.92Å
518	Q	98.5	Very high	98.2	Very high	77 Å²	77	49.2 Å²	49.2	36%	0.36	23%	0.233	S	C	.	.	H	α-helix	trans	-75	-31.6	174.4	-55.6	-55.1	-65.3	0	0	112.1	V514 P515 N516 H521 I552 F556	V514-Q518 HydrophobicContact CG1-CB 4.34Å; P515-Q518 WeakPolarHBondContact O-CB 3.27Å; P515-Q518 PolarHBondContact O-N 2.9Å; N516-Q518 PolarHBondContact O-N 3.48Å; Q518-H521 PolarHBondContact O-CE1 3.45Å; Q518-H521 PolarHBondContact O-ND1 2.94Å; Q518-I552 HydrophobicContact CB-CG2 3.98Å; Q518-F556 HydrophobicContact CG-CD2 4.06Å; Q518-F556 HydrophobicContact CG-CE2 3.79Å
519	L	98.4	Very high	98.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-106.3	-22.1	-169	-66.1	172.3	0	0	0	114.1	F476 V514 N516 H521 I522 V532 T533 V549 I552 I553	F476-L519 HydrophobicContact CB-CD1 4.46Å; F476-L519 HydrophobicContact CD2-CD1 3.49Å; F476-L519 VanDerWaalsContact CD2-CD1 3.49Å; F476-L519 HydrophobicContact CE2-CD1 3.92Å; F476-L519 HydrophobicContact CG-CD1 4.07Å; V514-L519 HydrophobicContact CG1-CD1 4.09Å; V514-L519 HydrophobicContact CG1-CG 4.36Å; N516-L519 PolarHBondContact O-N 3.39Å; N516-L519 VanDerWaalsContact O-N 3.15Å; L519-H521 PolarHBondContact O-N 3.22Å; L519-I522 HydrophobicContact CD2-CD1 4.36Å; L519-I522 PolarHBondContact O-N 3.02Å; L519-V532 HydrophobicContact CB-CG1 4.11Å; L519-V532 WeakPolarHBondContact O-CG1 3.43Å; L519-T533 HydrophobicContact CB-CG2 3.89Å; L519-V549 HydrophobicContact CD1-CG1 4.41Å; L519-V549 HydrophobicContact CD2-CB 4.35Å; L519-V549 HydrophobicContact CD2-CG1 3.96Å; L519-V549 HydrophobicContact CD2-CG2 4.37Å; L519-I552 HydrophobicContact CD2-CB 3.85Å; L519-I552 HydrophobicContact CD2-CD1 3.99Å; L519-I552 HydrophobicContact CD2-CG2 3.67Å; L519-I552 HydrophobicContact CG-CG2 4.37Å; L519-I553 HydrophobicContact CD1-CG1 4.46Å
520	R	97.6	Very high	98.2	Very high	157 Å²	157	56.6 Å²	56.6	59%	0.592	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-15.6	-175.4	65.5	-179.8	176.5	-170.7	3.2	116.3	N516 P531 T533	N516-R520 VanDerWaalsContact O-CB 3.31Å; N516-R520 WeakPolarHBondContact O-CB 3.4Å; N516-R520 PolarHBondContact O-N 3.35Å; R520-P531 WeakPolarHBondContact O-CB 3.22Å; R520-T533 HydrophobicContact CB-CG2 4.24Å
521	H	98.4	Very high	98.2	Very high	123 Å²	123	57.6 Å²	57.6	57%	0.569	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-22.9	176.9	68.6	-96	0	0	0	112.3	Q518 L519 R523	Q518-H521 PolarHBondContact O-CE1 3.45Å; Q518-H521 PolarHBondContact O-ND1 2.94Å; L519-H521 PolarHBondContact O-N 3.22Å; H521-R523 PolarHBondContact O-N 3.17Å
522	I	98.5	Very high	98.2	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.01	28%	0.276	C	S	.	.			trans	-77.4	113.6	175.1	-56.7	174.8	0	0	0	107.9	L519 P531 V532 K545 Q548 V549 I552	L519-I522 HydrophobicContact CD2-CD1 4.36Å; L519-I522 PolarHBondContact O-N 3.02Å; I522-P531 CarbonylContact O-C 3.49Å; I522-P531 WeakPolarHBondContact O-CA 3.49Å; I522-V532 HydrophobicContact CB-CG1 4.03Å; I522-V532 HydrophobicContact CG2-CG1 4.43Å; I522-V532 PolarHBondContact O-N 3.38Å; I522-K545 HydrophobicContact CG2-CB 3.98Å; I522-K545 HydrophobicContact CG2-CD 4.16Å; I522-K545 HydrophobicContact CG2-CG 4.48Å; I522-Q548 HydrophobicContact CD1-CB 3.61Å; I522-Q548 HydrophobicContact CG1-CB 4.36Å; I522-V549 HydrophobicContact CD1-CB 4.39Å; I522-V549 HydrophobicContact CD1-CG2 3.58Å; I522-V549 HydrophobicContact CG2-CG2 4.16Å; I522-I552 HydrophobicContact CD1-CD1 3.83Å
523	R	98.5	Very high	98.2	Very high	135 Å²	135	58.1 Å²	58.1	51%	0.509	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	148.2	176.8	-68.8	176.6	176.6	-90	4.7	110.9	H521 N529 K530 K545	H521-R523 PolarHBondContact O-N 3.17Å; R523-N529 WeakPolarHBondContact CB-O 3.41Å; R523-N529 VanDerWaalsContact CD-O 3.31Å; R523-N529 WeakPolarHBondContact CD-O 3.21Å; R523-N529 WeakPolarHBondContact CG-O 3.38Å; R523-N529 PolarHBondContact NH1-O 2.62Å; R523-K530 WeakPolarHBondContact CA-O 3.39Å; R523-K545 WeakPolarHBondContact O-CD 3.43Å; R523-K545 WeakPolarHBondContact O-CE 3.36Å
524	L	98.4	Very high	98.2	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	110.9	-178.8	-57.6	-172	0	0	0	111	N526 N527 N529 K530 V532 S535 Q539 V541 K545	L524-N526 PolarHBondContact O-N 3.47Å; L524-N527 HydrophobicContact CB-CB 4.03Å; L524-N527 CarbonylContact O-C 3.48Å; L524-N527 PolarHBondContact O-N 3.28Å; L524-N529 VanDerWaalsContact O-CA 3.24Å; L524-N529 WeakPolarHBondContact O-CA 3.31Å; L524-N529 PolarHBondContact O-N 3.26Å; L524-K530 PolarHBondContact N-O 3.38Å; L524-V532 HydrophobicContact CD1-CB 4.34Å; L524-V532 HydrophobicContact CD1-CG2 4.22Å; L524-V532 HydrophobicContact CD2-CB 4.11Å; L524-V532 HydrophobicContact CD2-CG2 4.23Å; L524-V532 HydrophobicContact CG-CB 4.15Å; L524-V532 HydrophobicContact CG-CG2 4.44Å; L524-S535 WeakPolarHBondContact CD1-OG 3.34Å; L524-Q539 HydrophobicContact CD1-CG 3.91Å; L524-V541 HydrophobicContact CD2-CG1 3.93Å; L524-K545 HydrophobicContact CD2-CB 3.99Å; L524-K545 HydrophobicContact CD2-CG 4.18Å
525	E	97.6	Very high	98.2	Very high	95 Å²	95	62.5 Å²	62.5	44%	0.444	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-30.9	177.4	54.2	-85.9	-160.5	0	0	112.8	N527 P542 K545	E525-N527 VanDerWaalsContact C-N 3.29Å; E525-N527 PolarHBondContact O-N 3.47Å; E525-P542 HydrophobicContact CG-CG 4.24Å; E525-P542 VanDerWaalsContact OE1-CB 3.3Å; E525-P542 WeakPolarHBondContact OE1-CB 3.4Å; E525-P542 WeakPolarHBondContact OE1-CG 3.47Å; E525-K545 WeakPolarHBondContact OE2-CE 3.29Å; E525-K545 IonicContact OE2-NZ 3.39Å
526	N	97.6	Very high	98.2	Very high	73 Å²	73	70.1 Å²	70.1	39%	0.39	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	15.6	176.8	71.4	-20.7	0	0	0	114.2	L524 Q539 E540 P542	L524-N526 PolarHBondContact O-N 3.47Å; N526-Q539 PolarHBondContact OD1-NE2 3.16Å; N526-E540 PolarHBondContact ND2-O 2.81Å; N526-E540 PolarHBondContact OD1-O 2.83Å; N526-P542 HydrophobicContact CB-CG 4.43Å; N526-P542 WeakPolarHBondContact OD1-CD 3.24Å
527	N	97.5	Very high	98.1	Very high	24 Å²	24	70.3 Å²	70.3	13%	0.128	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-150.1	59.4	177.1	180	23.1	0	0	0	109.4	L524 E525 N529 K530	L524-N527 HydrophobicContact CB-CB 4.03Å; L524-N527 CarbonylContact O-C 3.48Å; L524-N527 PolarHBondContact O-N 3.28Å; E525-N527 VanDerWaalsContact C-N 3.29Å; E525-N527 PolarHBondContact O-N 3.47Å; N527-N529 PolarHBondContact O-N 2.9Å; N527-K530 VanDerWaalsContact O-CB 3.23Å; N527-K530 WeakPolarHBondContact O-CB 3.41Å; N527-K530 WeakPolarHBondContact O-CD 3.42Å; N527-K530 WeakPolarHBondContact O-CG 3.23Å; N527-K530 PolarHBondContact O-N 2.61Å
528	D	97.5	Very high	98.1	Very high	121 Å²	121	66.5 Å²	66.5	65%	0.647	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	29.8	176.1	-44.9	-37.3	0	0	0	115.2	K530	D528-K530 HydrophobicContact CB-CD 4.08Å; D528-K530 HydrophobicContact CB-CG 4.26Å; D528-K530 PolarHBondContact O-N 3.41Å; D528-K530 VanDerWaalsContact O-N 3.1Å; D528-K530 WeakPolarHBondContact OD2-CE 3.27Å; D528-K530 IonicContact OD2-NZ 3.28Å; D528-K530 PolarHBondContact OD2-NZ 2.77Å
529	N	97.6	Very high	98.2	Very high	91 Å²	91	64 Å²	64	49%	0.487	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	24.5	-171.1	-69.8	-69.9	0	0	0	114.3	R523 L524 N527	R523-N529 WeakPolarHBondContact CB-O 3.41Å; R523-N529 VanDerWaalsContact CD-O 3.31Å; R523-N529 WeakPolarHBondContact CD-O 3.21Å; R523-N529 WeakPolarHBondContact CG-O 3.38Å; R523-N529 PolarHBondContact NH1-O 2.62Å; L524-N529 VanDerWaalsContact O-CA 3.24Å; L524-N529 WeakPolarHBondContact O-CA 3.31Å; L524-N529 PolarHBondContact O-N 3.26Å; N527-N529 PolarHBondContact O-N 2.9Å
530	K	98.4	Very high	98.2	Very high	86 Å²	86	65.8 Å²	65.8	37%	0.374	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	151.3	173.6	-68.6	159.2	178.6	159.5	0	110.2	R523 L524 N527 D528	R523-K530 WeakPolarHBondContact CA-O 3.39Å; L524-K530 PolarHBondContact N-O 3.38Å; N527-K530 VanDerWaalsContact O-CB 3.23Å; N527-K530 WeakPolarHBondContact O-CB 3.41Å; N527-K530 WeakPolarHBondContact O-CD 3.42Å; N527-K530 WeakPolarHBondContact O-CG 3.23Å; N527-K530 PolarHBondContact O-N 2.61Å; D528-K530 HydrophobicContact CB-CD 4.08Å; D528-K530 HydrophobicContact CB-CG 4.26Å; D528-K530 PolarHBondContact O-N 3.41Å; D528-K530 VanDerWaalsContact O-N 3.1Å; D528-K530 WeakPolarHBondContact OD2-CE 3.27Å; D528-K530 IonicContact OD2-NZ 3.28Å; D528-K530 PolarHBondContact OD2-NZ 2.77Å
531	P	98.5	Very high	98.2	Very high	23 Å²	23	58.5 Å²	58.5	15%	0.149	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	144.1	170.5	-27.5	37	0	0	0	112.2	R520 I522 T533 N534	R520-P531 WeakPolarHBondContact O-CB 3.22Å; I522-P531 CarbonylContact O-C 3.49Å; I522-P531 WeakPolarHBondContact O-CA 3.49Å; P531-T533 WeakPolarHBondContact CB-OG1 3.44Å; P531-T533 PolarHBondContact O-N 3.32Å; P531-T533 VanDerWaalsContact O-N 3.11Å; P531-N534 WeakPolarHBondContact O-CB 3.43Å; P531-N534 PolarHBondContact O-N 3.24Å
532	V	98.6	Very high	98.2	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-55.8	-29.6	174.9	65	0	0	0	0	112.4	I423 L519 I522 L524 N534 S535 V541 V549	I423-V532 HydrophobicContact CD1-CG2 3.78Å; I423-V532 HydrophobicContact CG1-CG2 4.45Å; L519-V532 HydrophobicContact CB-CG1 4.11Å; L519-V532 WeakPolarHBondContact O-CG1 3.43Å; I522-V532 HydrophobicContact CB-CG1 4.03Å; I522-V532 HydrophobicContact CG2-CG1 4.43Å; I522-V532 PolarHBondContact O-N 3.38Å; L524-V532 HydrophobicContact CD1-CB 4.34Å; L524-V532 HydrophobicContact CD1-CG2 4.22Å; L524-V532 HydrophobicContact CD2-CB 4.11Å; L524-V532 HydrophobicContact CD2-CG2 4.23Å; L524-V532 HydrophobicContact CG-CB 4.15Å; L524-V532 HydrophobicContact CG-CG2 4.44Å; V532-N534 PolarHBondContact O-N 2.68Å; V532-S535 VanDerWaalsContact O-CB 3.27Å; V532-S535 WeakPolarHBondContact O-CB 3.34Å; V532-S535 PolarHBondContact O-N 3.14Å; V532-S535 PolarHBondContact O-OG 3.34Å; V532-V541 HydrophobicContact CG2-CG2 4.4Å; V532-V549 HydrophobicContact CG1-CG2 4.14Å; V532-V549 HydrophobicContact CG2-CG2 4.18Å
533	T	98.4	Very high	98.1	Very high	20 Å²	20	56.3 Å²	56.3	12%	0.123	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-65.4	-16.3	175.1	53.3	0	0	0	0	114.5	F476 N516 L519 R520 P531	F476-T533 HydrophobicContact CE2-CG2 4.32Å; N516-T533 HydrophobicContact CB-CG2 3.64Å; L519-T533 HydrophobicContact CB-CG2 3.89Å; R520-T533 HydrophobicContact CB-CG2 4.24Å; P531-T533 WeakPolarHBondContact CB-OG1 3.44Å; P531-T533 PolarHBondContact O-N 3.32Å; P531-T533 VanDerWaalsContact O-N 3.11Å
534	N	98.2	Very high	98.1	Very high	105 Å²	105	54.9 Å²	54.9	56%	0.561	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-105.1	13.3	-176.9	-63.7	44.8	0	0	0	111.8	P531 V532	P531-N534 WeakPolarHBondContact O-CB 3.43Å; P531-N534 PolarHBondContact O-N 3.24Å; V532-N534 PolarHBondContact O-N 2.68Å
535	S	98.4	Very high	98.1	Very high	10 Å²	10	57.5 Å²	57.5	7%	0.07	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-71.7	148.8	179.2	-59.8	0	0	0	0	112.9	L524 V532	L524-S535 WeakPolarHBondContact CD1-OG 3.34Å; V532-S535 VanDerWaalsContact O-CB 3.27Å; V532-S535 WeakPolarHBondContact O-CB 3.34Å; V532-S535 PolarHBondContact O-N 3.14Å; V532-S535 PolarHBondContact O-OG 3.34Å
536	R	98.1	Very high	98.1	Very high	210 Å²	210	53 Å²	53	79%	0.792	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-85.9	171.8	170.5	-69.4	-176.5	172.4	-176.6	-2.4	111.3	T538 Q539	R536-T538 PolarHBondContact O-N 3Å; R536-Q539 VanDerWaalsContact O-CB 3.3Å; R536-Q539 WeakPolarHBondContact O-CB 3.4Å; R536-Q539 PolarHBondContact O-N 2.83Å
537	D	98.2	Very high	98.1	Very high	40 Å²	40	51 Å²	51	21%	0.214	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	135.9	175.1	-163.7	42.1	0	0	0	111.4	I424 K425 S443 Q539	I424-D537 WeakPolarHBondContact CA-OD1 3.45Å; K425-D537 HydrophobicContact CB-CB 3.98Å; K425-D537 PolarHBondContact N-OD1 2.87Å; S443-D537 PolarHBondContact OG-OD2 3.49Å; D537-Q539 PolarHBondContact O-N 2.87Å
538	T	98.3	Very high	98.2	Very high	5 Å²	5	54 Å²	54	3%	0.031	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	57	24.1	-174.6	69.9	0	0	0	0	115.5	I423 I424 G447 R450 L451 R536 E540	I423-T538 WeakPolarHBondContact O-CA 3.37Å; I423-T538 PolarHBondContact O-N 3.35Å; I424-T538 HydrophobicContact CD1-CG2 4.16Å; G447-T538 VanDerWaalsContact CA-CG2 3.47Å; R450-T538 WeakPolarHBondContact CD-O 3.23Å; R450-T538 PolarHBondContact NE-O 2.82Å; L451-T538 HydrophobicContact CD1-CG2 3.84Å; L451-T538 HydrophobicContact CD2-CG2 4.28Å; L451-T538 HydrophobicContact CG-CG2 3.88Å; R536-T538 PolarHBondContact O-N 3Å; T538-E540 PolarHBondContact O-N 2.95Å
539	Q	98.6	Very high	98.2	Very high	24 Å²	24	48.2 Å²	48.2	11%	0.112	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-60.7	128.6	163.2	175.8	60.2	48.5	0	0	109.5	F422 I423 L524 N526 R536 D537	F422-Q539 CarbonylContact C-O 3.59Å; F422-Q539 VanDerWaalsContact CA-O 3.29Å; F422-Q539 WeakPolarHBondContact CA-O 2.95Å; I423-Q539 HydrophobicContact CB-CB 4.31Å; I423-Q539 HydrophobicContact CG1-CB 4.25Å; I423-Q539 PolarHBondContact N-O 3.36Å; L524-Q539 HydrophobicContact CD1-CG 3.91Å; N526-Q539 PolarHBondContact OD1-NE2 3.16Å; R536-Q539 VanDerWaalsContact O-CB 3.3Å; R536-Q539 WeakPolarHBondContact O-CB 3.4Å; R536-Q539 PolarHBondContact O-N 2.83Å; D537-Q539 PolarHBondContact O-N 2.87Å
540	E	98.6	Very high	98.3	Very high	37 Å²	37	43.9 Å²	43.9	17%	0.173	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	135.7	175.4	-172.1	154.8	-161.6	0	0	111	R420 F422 R450 N526 T538	R420-E540 IonicContact CZ-OE1 3.45Å; R420-E540 IonicContact CZ-OE2 2.63Å; R420-E540 IonicContact NE-OE1 3.23Å; R420-E540 PolarHBondContact NE-OE1 3.46Å; R420-E540 IonicContact NH2-OE1 3.18Å; R420-E540 PolarHBondContact NH2-OE1 2.9Å; R420-E540 IonicContact NH2-OE2 3.77Å; R420-E540 PolarHBondContact NH2-OE2 3.04Å; F422-E540 HydrophobicContact CD1-CB 3.91Å; F422-E540 HydrophobicContact CD1-CG 4.32Å; F422-E540 HydrophobicContact CE1-CB 3.6Å; F422-E540 HydrophobicContact CE1-CG 3.8Å; F422-E540 HydrophobicContact CZ-CB 4.3Å; F422-E540 HydrophobicContact CZ-CG 3.99Å; R450-E540 IonicContact NH2-OE2 3.68Å; N526-E540 PolarHBondContact ND2-O 2.81Å; N526-E540 PolarHBondContact OD1-O 2.83Å; T538-E540 PolarHBondContact O-N 2.95Å
541	V	98.7	Very high	98.3	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.024	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118.1	178.6	-175	0	0	0	0	108.4	V421 I423 L467 L524 V532 K545 A546	V421-V541 HydrophobicContact CB-CB 4.38Å; V421-V541 HydrophobicContact CG1-CB 4.43Å; V421-V541 PolarHBondContact O-N 2.61Å; I423-V541 HydrophobicContact CD1-CG2 3.51Å; I423-V541 HydrophobicContact CG1-CG2 3.82Å; L467-V541 HydrophobicContact CD1-CG2 4.48Å; L524-V541 HydrophobicContact CD2-CG1 3.93Å; V532-V541 HydrophobicContact CG2-CG2 4.4Å; V541-K545 HydrophobicContact CG1-CB 3.87Å; V541-A546 HydrophobicContact CB-CB 4.27Å; V541-A546 HydrophobicContact CG1-CB 3.8Å
542	P	98.1	Very high	98.3	Very high	30 Å²	30	45 Å²	45	20%	0.195	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-56.5	142.4	175.9	-26.2	36.7	0	0	0	111.6	E525 N526 E544 K545 A546	E525-P542 HydrophobicContact CG-CG 4.24Å; E525-P542 VanDerWaalsContact OE1-CB 3.3Å; E525-P542 WeakPolarHBondContact OE1-CB 3.4Å; E525-P542 WeakPolarHBondContact OE1-CG 3.47Å; N526-P542 HydrophobicContact CB-CG 4.43Å; N526-P542 WeakPolarHBondContact OD1-CD 3.24Å; P542-E544 VanDerWaalsContact C-N 3.31Å; P542-E544 PolarHBondContact O-N 2.85Å; P542-E544 VanDerWaalsContact O-N 3.14Å; P542-K545 HydrophobicContact CB-CG 4.35Å; P542-K545 WeakPolarHBondContact O-CA 2.9Å; P542-K545 WeakPolarHBondContact O-CB 3.14Å; P542-K545 PolarHBondContact O-N 3.18Å; P542-A546 PolarHBondContact O-N 3.24Å
543	L	97.1	Very high	98.3	Very high	49 Å²	49	45 Å²	45	26%	0.257	21%	0.211	S	C	.	.	H	α-helix	trans	-55.1	-41	-164.6	-171.8	61.8	0	0	0	113.7	L416 K545 A546 K547	L416-L543 HydrophobicContact CB-CD1 3.8Å; L416-L543 HydrophobicContact CD1-CD1 4.17Å; L543-K545 PolarHBondContact O-N 3.47Å; L543-A546 WeakPolarHBondContact O-CB 3.47Å; L543-A546 PolarHBondContact O-N 3.45Å; L543-A546 VanDerWaalsContact O-N 3.17Å; L543-K547 WeakPolarHBondContact O-CG 3.46Å; L543-K547 PolarHBondContact O-N 3.48Å
544	E	97.6	Very high	98.2	Very high	105 Å²	105	45.1 Å²	45.1	49%	0.491	21%	0.214	S	C	.	.	H	α-helix	trans	-68	-33.6	178	-59.5	-46.1	119	0	0	113.3	P542 K547 Q548	P542-E544 VanDerWaalsContact C-N 3.31Å; P542-E544 PolarHBondContact O-N 2.85Å; P542-E544 VanDerWaalsContact O-N 3.14Å; E544-K547 VanDerWaalsContact CD-NZ 3.27Å; E544-K547 IonicContact OE1-NZ 3.75Å; E544-K547 PolarHBondContact OE1-NZ 2.63Å; E544-K547 WeakPolarHBondContact OE2-CD 3.38Å; E544-K547 IonicContact OE2-NZ 3.76Å; E544-K547 PolarHBondContact OE2-NZ 3.45Å; E544-Q548 WeakPolarHBondContact O-CG 3.38Å; E544-Q548 PolarHBondContact O-N 2.74Å
545	K	98.4	Very high	98.2	Very high	55 Å²	55	44.6 Å²	44.6	24%	0.239	22%	0.215	C	C	.	.	H	α-helix	trans	-71.5	-37.4	170.6	-52.9	-55.3	-173.3	-178.9	0	110.7	I522 R523 L524 E525 V541 P542 L543 Q548 V549	I522-K545 HydrophobicContact CG2-CB 3.98Å; I522-K545 HydrophobicContact CG2-CD 4.16Å; I522-K545 HydrophobicContact CG2-CG 4.48Å; R523-K545 WeakPolarHBondContact O-CD 3.43Å; R523-K545 WeakPolarHBondContact O-CE 3.36Å; L524-K545 HydrophobicContact CD2-CB 3.99Å; L524-K545 HydrophobicContact CD2-CG 4.18Å; E525-K545 WeakPolarHBondContact OE2-CE 3.29Å; E525-K545 IonicContact OE2-NZ 3.39Å; V541-K545 HydrophobicContact CG1-CB 3.87Å; P542-K545 HydrophobicContact CB-CG 4.35Å; P542-K545 WeakPolarHBondContact O-CA 2.9Å; P542-K545 WeakPolarHBondContact O-CB 3.14Å; P542-K545 PolarHBondContact O-N 3.18Å; L543-K545 PolarHBondContact O-N 3.47Å; K545-Q548 WeakPolarHBondContact O-CB 3.35Å; K545-Q548 PolarHBondContact O-N 2.95Å; K545-V549 WeakPolarHBondContact O-CG2 3.47Å; K545-V549 PolarHBondContact O-N 3.01Å
546	A	98.3	Very high	98.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-43.3	179.5	0	0	0	0	0	111.8	V421 V541 P542 L543 Q548 V549 L550	V421-A546 HydrophobicContact CB-CB 3.71Å; V421-A546 HydrophobicContact CG1-CB 4.1Å; V421-A546 HydrophobicContact CG2-CB 3.66Å; V541-A546 HydrophobicContact CB-CB 4.27Å; V541-A546 HydrophobicContact CG1-CB 3.8Å; P542-A546 PolarHBondContact O-N 3.24Å; L543-A546 WeakPolarHBondContact O-CB 3.47Å; L543-A546 PolarHBondContact O-N 3.45Å; L543-A546 VanDerWaalsContact O-N 3.17Å; A546-Q548 VanDerWaalsContact C-N 3.3Å; A546-Q548 PolarHBondContact O-N 3.23Å; A546-V549 PolarHBondContact O-N 2.83Å; A546-L550 WeakPolarHBondContact O-CB 3.31Å; A546-L550 VanDerWaalsContact O-CG 3.26Å; A546-L550 WeakPolarHBondContact O-CG 3.4Å; A546-L550 PolarHBondContact O-N 2.8Å
547	K	98.1	Very high	98.1	Very high	31 Å²	31	45.4 Å²	45.4	14%	0.135	22%	0.223	C	C	.	.	H	α-helix	trans	-53.9	-44.6	171.4	-71	169.9	179.8	167.4	0	112.1	N415 L416 L543 E544 K551	N415-K547 WeakPolarHBondContact OD1-CE 3.46Å; L416-K547 WeakPolarHBondContact O-CE 3.31Å; L543-K547 WeakPolarHBondContact O-CG 3.46Å; L543-K547 PolarHBondContact O-N 3.48Å; E544-K547 VanDerWaalsContact CD-NZ 3.27Å; E544-K547 IonicContact OE1-NZ 3.75Å; E544-K547 PolarHBondContact OE1-NZ 2.63Å; E544-K547 WeakPolarHBondContact OE2-CD 3.38Å; E544-K547 IonicContact OE2-NZ 3.76Å; E544-K547 PolarHBondContact OE2-NZ 3.45Å; K547-K551 VanDerWaalsContact O-CB 3.26Å; K547-K551 WeakPolarHBondContact O-CB 3.28Å; K547-K551 PolarHBondContact O-N 3.12Å
548	Q	98.4	Very high	98	Very high	87 Å²	87	47 Å²	47	41%	0.407	23%	0.229	S	C	.	.	H	α-helix	trans	-64.3	-46.2	178.6	-65.1	168.9	10.6	0	0	111.7	I522 E544 K545 A546 K551 I552	I522-Q548 HydrophobicContact CD1-CB 3.61Å; I522-Q548 HydrophobicContact CG1-CB 4.36Å; E544-Q548 WeakPolarHBondContact O-CG 3.38Å; E544-Q548 PolarHBondContact O-N 2.74Å; K545-Q548 WeakPolarHBondContact O-CB 3.35Å; K545-Q548 PolarHBondContact O-N 2.95Å; A546-Q548 VanDerWaalsContact C-N 3.3Å; A546-Q548 PolarHBondContact O-N 3.23Å; Q548-K551 PolarHBondContact O-N 3.39Å; Q548-I552 WeakPolarHBondContact O-CG1 3.21Å; Q548-I552 PolarHBondContact O-N 3.45Å; Q548-I552 VanDerWaalsContact O-N 3.11Å
549	V	98.6	Very high	97.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.9	-47.5	177	176.2	0	0	0	0	111.3	L467 L519 I522 V532 K545 A546 K551 I552 I553	L467-V549 HydrophobicContact CD1-CB 4.39Å; L467-V549 HydrophobicContact CD1-CG1 3.65Å; L519-V549 HydrophobicContact CD1-CG1 4.41Å; L519-V549 HydrophobicContact CD2-CB 4.35Å; L519-V549 HydrophobicContact CD2-CG1 3.96Å; L519-V549 HydrophobicContact CD2-CG2 4.37Å; I522-V549 HydrophobicContact CD1-CB 4.39Å; I522-V549 HydrophobicContact CD1-CG2 3.58Å; I522-V549 HydrophobicContact CG2-CG2 4.16Å; V532-V549 HydrophobicContact CG1-CG2 4.14Å; V532-V549 HydrophobicContact CG2-CG2 4.18Å; K545-V549 WeakPolarHBondContact O-CG2 3.47Å; K545-V549 PolarHBondContact O-N 3.01Å; A546-V549 PolarHBondContact O-N 2.83Å; V549-K551 PolarHBondContact O-N 3.05Å; V549-I552 PolarHBondContact O-N 2.95Å; V549-I553 HydrophobicContact CG1-CD1 3.69Å; V549-I553 HydrophobicContact CG1-CG1 4.34Å; V549-I553 WeakPolarHBondContact O-CG1 3.44Å; V549-I553 PolarHBondContact O-N 3.16Å
550	L	98.5	Very high	97.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.4	-40.3	178.7	-72.4	168	0	0	0	112	F412 W414 L416 V421 Y465 L467 V479 A546 I553 A554	F412-L550 HydrophobicContact CE1-CB 4.34Å; F412-L550 HydrophobicContact CE1-CD2 4.21Å; F412-L550 HydrophobicContact CZ-CD2 4.31Å; W414-L550 HydrophobicContact CB-CB 3.89Å; L416-L550 HydrophobicContact CD1-CD1 3.61Å; L416-L550 HydrophobicContact CG-CD1 4.31Å; V421-L550 HydrophobicContact CG2-CD1 4.45Å; Y465-L550 HydrophobicContact CD2-CD1 3.88Å; Y465-L550 HydrophobicContact CD2-CD2 4.18Å; Y465-L550 HydrophobicContact CE2-CD1 4.26Å; L467-L550 HydrophobicContact CD2-CD2 3.91Å; V479-L550 HydrophobicContact CG1-CD2 4.3Å; A546-L550 WeakPolarHBondContact O-CB 3.31Å; A546-L550 VanDerWaalsContact O-CG 3.26Å; A546-L550 WeakPolarHBondContact O-CG 3.4Å; A546-L550 PolarHBondContact O-N 2.8Å; L550-I553 PolarHBondContact O-N 3.35Å; L550-A554 VanDerWaalsContact O-CB 3.24Å; L550-A554 WeakPolarHBondContact O-CB 3.15Å; L550-A554 PolarHBondContact O-N 3.03Å
551	K	98.3	Very high	97.8	Very high	97 Å²	97	52.3 Å²	52.3	42%	0.422	27%	0.266	S	S	.	.	H	α-helix	trans	-60.5	-45.8	174.8	-174.3	179.1	-174.5	175.5	0	111.6	W414 K547 Q548 V549 T555	W414-K551 HydrophobicContact CB-CB 4.31Å; W414-K551 HydrophobicContact CD2-CB 3.66Å; W414-K551 HydrophobicContact CD2-CD 4.1Å; W414-K551 HydrophobicContact CD2-CG 3.76Å; W414-K551 HydrophobicContact CE3-CB 3.76Å; W414-K551 HydrophobicContact CE3-CD 3.97Å; W414-K551 HydrophobicContact CE3-CG 4.04Å; W414-K551 HydrophobicContact CG-CB 3.89Å; W414-K551 HydrophobicContact CG-CG 4.21Å; W414-K551 HydrophobicContact CH2-CD 3.79Å; W414-K551 HydrophobicContact CH2-CG 4.47Å; W414-K551 HydrophobicContact CZ2-CD 3.88Å; W414-K551 HydrophobicContact CZ2-CG 4.19Å; W414-K551 HydrophobicContact CZ3-CB 4.44Å; W414-K551 HydrophobicContact CZ3-CD 3.82Å; W414-K551 HydrophobicContact CZ3-CG 4.39Å; K547-K551 VanDerWaalsContact O-CB 3.26Å; K547-K551 WeakPolarHBondContact O-CB 3.28Å; K547-K551 PolarHBondContact O-N 3.12Å; Q548-K551 PolarHBondContact O-N 3.39Å; V549-K551 PolarHBondContact O-N 3.05Å; K551-T555 WeakPolarHBondContact O-CB 3.19Å; K551-T555 WeakPolarHBondContact O-CG2 3.34Å; K551-T555 PolarHBondContact O-N 2.77Å; K551-T555 PolarHBondContact O-OG1 2.75Å
552	I	98.4	Very high	97.7	Very high	35 Å²	35	52.8 Å²	52.8	18%	0.179	27%	0.268	C	S	.	.	H	α-helix	trans	-64.8	-48.2	178.1	-68.2	168.7	0	0	0	109.9	V514 Q518 L519 I522 Q548 V549 A554 T555 F556	V514-I552 HydrophobicContact CG1-CG2 4.41Å; Q518-I552 HydrophobicContact CB-CG2 3.98Å; L519-I552 HydrophobicContact CD2-CB 3.85Å; L519-I552 HydrophobicContact CD2-CD1 3.99Å; L519-I552 HydrophobicContact CD2-CG2 3.67Å; L519-I552 HydrophobicContact CG-CG2 4.37Å; I522-I552 HydrophobicContact CD1-CD1 3.83Å; Q548-I552 WeakPolarHBondContact O-CG1 3.21Å; Q548-I552 PolarHBondContact O-N 3.45Å; Q548-I552 VanDerWaalsContact O-N 3.11Å; V549-I552 PolarHBondContact O-N 2.95Å; I552-A554 PolarHBondContact O-N 3.14Å; I552-T555 PolarHBondContact O-N 3.13Å; I552-T555 PolarHBondContact O-OG1 3.03Å; I552-F556 VanDerWaalsContact O-CB 3.25Å; I552-F556 WeakPolarHBondContact O-CB 3.27Å; I552-F556 PolarHBondContact O-N 2.94Å
553	I	98.3	Very high	97.7	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-59	-50.1	177.9	-67.9	171.1	0	0	0	110.7	L467 V479 F510 K512 V514 L519 V549 L550 T555 F556	L467-I553 HydrophobicContact CD2-CD1 4.13Å; V479-I553 HydrophobicContact CG2-CD1 3.94Å; V479-I553 HydrophobicContact CG2-CG2 3.93Å; F510-I553 HydrophobicContact CB-CG2 4.28Å; F510-I553 HydrophobicContact CD2-CG2 4.27Å; F510-I553 HydrophobicContact CG-CG2 4.15Å; K512-I553 WeakPolarHBondContact CE-O 3.32Å; K512-I553 PolarHBondContact NZ-O 2.69Å; V514-I553 HydrophobicContact CB-CG1 4.47Å; V514-I553 HydrophobicContact CG1-CG1 4.34Å; V514-I553 HydrophobicContact CG2-CB 4.42Å; V514-I553 HydrophobicContact CG2-CG1 4.18Å; V514-I553 HydrophobicContact CG2-CG2 4.25Å; L519-I553 HydrophobicContact CD1-CG1 4.46Å; V549-I553 HydrophobicContact CG1-CD1 3.69Å; V549-I553 HydrophobicContact CG1-CG1 4.34Å; V549-I553 WeakPolarHBondContact O-CG1 3.44Å; V549-I553 PolarHBondContact O-N 3.16Å; L550-I553 PolarHBondContact O-N 3.35Å; I553-T555 PolarHBondContact O-N 3.38Å; I553-F556 PolarHBondContact O-N 3.05Å
554	A	97.4	Very high	97.6	Very high	22 Å²	22	54.7 Å²	54.7	18%	0.182	28%	0.276	C	S	.	.	H	α-helix	trans	-56.9	-52.3	179.8	0	0	0	0	0	111.6	F412 F510 K512 L550 I552 F556	F412-A554 HydrophobicContact CD1-CB 4.17Å; F510-A554 HydrophobicContact CE1-CB 4.35Å; F510-A554 HydrophobicContact CE2-CB 4.34Å; F510-A554 HydrophobicContact CZ-CB 3.74Å; K512-A554 PolarHBondContact NZ-O 2.72Å; L550-A554 VanDerWaalsContact O-CB 3.24Å; L550-A554 WeakPolarHBondContact O-CB 3.15Å; L550-A554 PolarHBondContact O-N 3.03Å; I552-A554 PolarHBondContact O-N 3.14Å; A554-F556 PolarHBondContact O-N 3.17Å
555	T	97.3	Very high	97.4	Very high	95 Å²	95	52 Å²	52	58%	0.583	27%	0.265	S	S	*	.	H	α-helix	trans	-76	-17	-176.4	58	0	0	0	0	115.1	K551 I552 I553 K557	K551-T555 WeakPolarHBondContact O-CB 3.19Å; K551-T555 WeakPolarHBondContact O-CG2 3.34Å; K551-T555 PolarHBondContact O-N 2.77Å; K551-T555 PolarHBondContact O-OG1 2.75Å; I552-T555 PolarHBondContact O-N 3.13Å; I552-T555 PolarHBondContact O-OG1 3.03Å; I553-T555 PolarHBondContact O-N 3.38Å; T555-K557 PolarHBondContact O-N 3.08Å
556	F	97.9	Very high	97.3	Very high	49 Å²	49	49.6 Å²	49.6	22%	0.215	25%	0.254	C	S	.	.			trans	-65	123.8	-177.7	-170.6	-105.6	0	0	0	112.7	K512 D513 V514 P515 Q518 I552 I553 A554 H558	K512-F556 PolarHBondContact NZ-O 3.18Å; D513-F556 WeakPolarHBondContact O-CD1 3.39Å; D513-F556 VanDerWaalsContact O-CE1 3.23Å; D513-F556 WeakPolarHBondContact O-CE1 3.43Å; V514-F556 HydrophobicContact CB-CD1 4.35Å; V514-F556 HydrophobicContact CG1-CB 4.38Å; V514-F556 HydrophobicContact CG1-CD1 4.36Å; V514-F556 HydrophobicContact CG1-CG 4.24Å; V514-F556 HydrophobicContact CG2-CB 4.17Å; V514-F556 HydrophobicContact CG2-CD1 3.92Å; V514-F556 HydrophobicContact CG2-CG 4.29Å; P515-F556 HydrophobicContact CG-CZ 4.29Å; Q518-F556 HydrophobicContact CG-CD2 4.06Å; Q518-F556 HydrophobicContact CG-CE2 3.79Å; I552-F556 VanDerWaalsContact O-CB 3.25Å; I552-F556 WeakPolarHBondContact O-CB 3.27Å; I552-F556 PolarHBondContact O-N 2.94Å; I553-F556 PolarHBondContact O-N 3.05Å; A554-F556 PolarHBondContact O-N 3.17Å; F556-H558 VanDerWaalsContact C-N 3.34Å; F556-H558 HydrophobicContact CD1-CB 4.17Å; F556-H558 HydrophobicContact CE1-CB 4.32Å; F556-H558 PolarHBondContact O-N 3.46Å; F556-H558 VanDerWaalsContact O-N 3.09Å
557	K	97.1	Very high	97.1	Very high	188 Å²	188	52 Å²	52	82%	0.817	28%	0.275	S	S	*	.			trans	-80.1	79.1	172.7	-64.4	-176.5	-178.5	-179.4	0	109.9	T555	T555-K557 PolarHBondContact O-N 3.08Å
558	H	96.5	Very high	96.9	Very high	73 Å²	73	53 Å²	53	34%	0.338	28%	0.28	S	S	.	.			trans	-56.7	152	173.4	71	-56.5	0	0	0	113.1	K512 F556 T560	K512-H558 HydrophobicContact CB-CB 3.75Å; K512-H558 WeakPolarHBondContact CB-CD2 3.49Å; K512-H558 VanDerWaalsContact CB-CG 3.4Å; K512-H558 HydrophobicContact CD-CB 4.17Å; K512-H558 HydrophobicContact CG-CB 4.44Å; F556-H558 VanDerWaalsContact C-N 3.34Å; F556-H558 HydrophobicContact CD1-CB 4.17Å; F556-H558 HydrophobicContact CE1-CB 4.32Å; F556-H558 PolarHBondContact O-N 3.46Å; F556-H558 VanDerWaalsContact O-N 3.09Å; H558-T560 PolarHBondContact CD2-O 3.29Å
559	T	96.2	Very high	96.8	Very high	134 Å²	134	49.6 Å²	49.6	82%	0.822	26%	0.263	S	S	*	.	S	Bend	trans	-120.5	-6.3	172.5	56.7	0	0	0	0	112.9
560	T	97.3	Very high	96.6	Very high	35 Å²	35	50.3 Å²	50.3	22%	0.215	27%	0.266	C	S	.	.			trans	-142.9	157.7	174.7	57.1	0	0	0	0	111.5	D513 H558 D564	D513-T560 WeakPolarHBondContact CB-O 3.33Å; D513-T560 PolarHBondContact N-O 3.48Å; D513-T560 VanDerWaalsContact OD2-C 3.27Å; D513-T560 VanDerWaalsContact OD2-CB 3.28Å; D513-T560 WeakPolarHBondContact OD2-CB 3.45Å; D513-T560 PolarHBondContact OD2-OG1 3.29Å; H558-T560 PolarHBondContact CD2-O 3.29Å; T560-D564 WeakPolarHBondContact CA-OD2 3.07Å
561	S	97.5	Very high	96.4	Very high	8 Å²	8	56.4 Å²	56.4	6%	0.056	29%	0.293	C	S	.	.			trans	-157.3	163.1	172.9	72.2	0	0	0	0	111.2	D513 F563 D564	D513-S561 PolarHBondContact OD2-N 2.91Å; S561-F563 PolarHBondContact O-N 3.02Å; S561-F563 WeakPolarHBondContact OG-CB 3.07Å; S561-F563 PolarHBondContact OG-N 2.85Å; S561-D564 PolarHBondContact N-OD2 2.95Å; S561-D564 VanDerWaalsContact O-CB 3.31Å; S561-D564 WeakPolarHBondContact O-CB 3.11Å; S561-D564 PolarHBondContact O-N 2.96Å; S561-D564 PolarHBondContact OG-OD1 3.41Å; S561-D564 VanDerWaalsContact OG-OD1 3.12Å
562	I	96.8	Very high	96.2	Very high	15 Å²	15	55.2 Å²	55.2	8%	0.077	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-11.4	171	-162.4	170.5	0	0	0	113.9	E429 I432 H433 I436 V511 D564 F566 Y569	E429-I562 HydrophobicContact CB-CD1 4.46Å; E429-I562 WeakPolarHBondContact O-CD1 3.2Å; I432-I562 HydrophobicContact CB-CD1 3.87Å; I432-I562 HydrophobicContact CG2-CD1 3.78Å; H433-I562 HydrophobicContact CB-CD1 4.03Å; I436-I562 HydrophobicContact CD1-CG2 3.56Å; V511-I562 HydrophobicContact CG1-CG2 3.67Å; I562-D564 PolarHBondContact O-N 3.14Å; I562-F566 PolarHBondContact O-N 3.18Å; I562-Y569 HydrophobicContact CD1-CE2 4.39Å; I562-Y569 HydrophobicContact CG1-CD2 4.19Å; I562-Y569 HydrophobicContact CG1-CE2 4.06Å
563	F	96.9	Very high	95.9	Very high	23 Å²	23	53.7 Å²	53.7	10%	0.101	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-20.8	170.7	-64.7	-36.6	0	0	0	113.4	L398 Y407 I436 V511 S561 D565 F566	L398-F563 HydrophobicContact CD1-CB 4.3Å; L398-F563 HydrophobicContact CD1-CD1 3.25Å; L398-F563 HydrophobicContact CD1-CE1 3.47Å; L398-F563 VanDerWaalsContact CD1-CE1 3.47Å; L398-F563 HydrophobicContact CD1-CG 3.83Å; L398-F563 HydrophobicContact CD1-CZ 4.23Å; L398-F563 HydrophobicContact CD2-CB 4.08Å; L398-F563 HydrophobicContact CD2-CD1 4.46Å; L398-F563 HydrophobicContact CD2-CG 4.5Å; L398-F563 HydrophobicContact CG-CD1 4.49Å; Y407-F563 AromaticContact CD2-CE2 3.96Å; Y407-F563 HydrophobicContact CD2-CE2 3.96Å; Y407-F563 AromaticContact CD2-CZ 3.55Å; Y407-F563 HydrophobicContact CD2-CZ 3.55Å; Y407-F563 HydrophobicContact CE2-CE1 4.36Å; Y407-F563 HydrophobicContact CE2-CE2 4.45Å; Y407-F563 AromaticContact CE2-CZ 3.6Å; Y407-F563 HydrophobicContact CE2-CZ 3.6Å; Y407-F563 HydrophobicContact CG-CE2 4.34Å; Y407-F563 HydrophobicContact CG-CZ 4.09Å; I436-F563 HydrophobicContact CG2-CE1 4.03Å; V511-F563 HydrophobicContact CB-CD2 4.27Å; V511-F563 HydrophobicContact CB-CE1 4.36Å; V511-F563 HydrophobicContact CB-CE2 3.59Å; V511-F563 HydrophobicContact CB-CZ 3.65Å; V511-F563 HydrophobicContact CG1-CD1 4.07Å; V511-F563 HydrophobicContact CG1-CD2 3.91Å; V511-F563 HydrophobicContact CG1-CE1 3.82Å; V511-F563 HydrophobicContact CG1-CE2 3.63Å; V511-F563 HydrophobicContact CG1-CG 4.14Å; V511-F563 HydrophobicContact CG1-CZ 3.59Å; V511-F563 HydrophobicContact CG2-CE1 4.47Å; V511-F563 HydrophobicContact CG2-CE2 4.23Å; V511-F563 HydrophobicContact CG2-CZ 3.8Å; S561-F563 PolarHBondContact O-N 3.02Å; S561-F563 WeakPolarHBondContact OG-CB 3.07Å; S561-F563 PolarHBondContact OG-N 2.85Å; F563-D565 VanDerWaalsContact C-N 3.34Å; F563-F566 HydrophobicContact CD1-CD2 4.06Å; F563-F566 WeakPolarHBondContact O-CB 3.45Å; F563-F566 PolarHBondContact O-N 3.31Å
564	D	95.9	Very high	95.7	Very high	95 Å²	95	60.7 Å²	60.7	51%	0.508	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-34.5	-178.7	-47.8	-16.6	0	0	0	110.5	T560 S561 I562	T560-D564 WeakPolarHBondContact CA-OD2 3.07Å; S561-D564 PolarHBondContact N-OD2 2.95Å; S561-D564 VanDerWaalsContact O-CB 3.31Å; S561-D564 WeakPolarHBondContact O-CB 3.11Å; S561-D564 PolarHBondContact O-N 2.96Å; S561-D564 PolarHBondContact OG-OD1 3.41Å; S561-D564 VanDerWaalsContact OG-OD1 3.12Å; I562-D564 PolarHBondContact O-N 3.14Å
565	D	94.3	Very high	95.4	Very high	50 Å²	50	64.1 Å²	64.1	27%	0.267	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	9.9	177.9	-67.4	-59.5	0	0	0	113.4	F563 A567 H568 Y569	F563-D565 VanDerWaalsContact C-N 3.34Å; D565-A567 PolarHBondContact O-N 3.3Å; D565-H568 WeakPolarHBondContact O-CB 3.5Å; D565-H568 PolarHBondContact O-N 3.19Å; D565-H568 VanDerWaalsContact O-N 3.08Å; D565-Y569 HydrophobicContact CB-CD2 3.99Å; D565-Y569 HydrophobicContact CB-CE2 3.82Å; D565-Y569 WeakPolarHBondContact O-CD2 3.13Å; D565-Y569 PolarHBondContact O-N 3.43Å
566	F	94.8	Very high	95.1	Very high	3 Å²	3	63 Å²	63	1%	0.013	31%	0.311	C	S	.	.	H	α-helix	trans	-58.7	-44	-167.6	-164.4	-83.4	0	0	0	113.9	H395 V397 L398 L401 H433 I562 F563 H568 Y569 E570	H395-F566 HydrophobicContact CB-CD1 4.22Å; V397-F566 HydrophobicContact CB-CE1 4.22Å; V397-F566 HydrophobicContact CG1-CE1 4.22Å; V397-F566 HydrophobicContact CG1-CZ 4.27Å; L398-F566 HydrophobicContact CB-CD1 3.73Å; L398-F566 HydrophobicContact CB-CD2 4.43Å; L398-F566 HydrophobicContact CB-CE1 3.89Å; L398-F566 HydrophobicContact CB-CG 4.02Å; L398-F566 HydrophobicContact CB-CZ 4.32Å; L398-F566 HydrophobicContact CD1-CD2 3.96Å; L398-F566 HydrophobicContact CD1-CE2 4.15Å; L398-F566 HydrophobicContact CD1-CG 4.27Å; L398-F566 HydrophobicContact CD2-CB 3.86Å; L398-F566 HydrophobicContact CD2-CD1 4.48Å; L398-F566 HydrophobicContact CD2-CD2 4.47Å; L398-F566 HydrophobicContact CD2-CG 4.03Å; L398-F566 HydrophobicContact CG-CG 4.33Å; L401-F566 HydrophobicContact CD1-CE2 4Å; L401-F566 HydrophobicContact CD1-CZ 3.57Å; H433-F566 AromaticContact CD2-CD2 3.68Å; H433-F566 AromaticContact CD2-CE2 3.47Å; H433-F566 VanDerWaalsContact CD2-CE2 3.47Å; H433-F566 WeakPolarHBondContact CD2-CE2 3.34Å; H433-F566 AromaticContact CD2-CZ 3.84Å; H433-F566 AromaticContact NE2-CE1 3.73Å; H433-F566 AromaticContact NE2-CE2 3.61Å; H433-F566 AromaticContact NE2-CZ 3.44Å; H433-F566 WeakPolarHBondContact NE2-CZ 3.44Å; I562-F566 PolarHBondContact O-N 3.18Å; F563-F566 HydrophobicContact CD1-CD2 4.06Å; F563-F566 WeakPolarHBondContact O-CB 3.45Å; F563-F566 PolarHBondContact O-N 3.31Å; F566-H568 PolarHBondContact O-N 3.12Å; F566-Y569 PolarHBondContact O-N 3.2Å; F566-E570 HydrophobicContact CD1-CG 3.58Å; F566-E570 HydrophobicContact CE1-CG 3.38Å; F566-E570 HydrophobicContact CZ-CG 4.34Å; F566-E570 WeakPolarHBondContact O-CG 3.43Å; F566-E570 PolarHBondContact O-N 3.42Å
567	A	94.2	Very high	94.7	Very high	52 Å²	52	63.8 Å²	63.8	43%	0.43	32%	0.315	S	S	.	.	H	α-helix	trans	-63.2	-30.4	179.9	0	0	0	0	0	112.8	H395 D565 K571	H395-A567 HydrophobicContact CB-CB 4.23Å; D565-A567 PolarHBondContact O-N 3.3Å; A567-K571 WeakPolarHBondContact O-CB 3.38Å; A567-K571 PolarHBondContact O-N 3.45Å
568	H	94.9	Very high	94.4	Very high	52 Å²	52	56.9 Å²	56.9	24%	0.241	29%	0.293	C	S	.	.	H	α-helix	trans	-73.3	-39.2	175.6	159.8	91.3	0	0	0	111.6	W357 D565 F566 R572	W357-H568 AromaticContact CD2-CE1 3.85Å; D565-H568 WeakPolarHBondContact O-CB 3.5Å; D565-H568 PolarHBondContact O-N 3.19Å; D565-H568 VanDerWaalsContact O-N 3.08Å; F566-H568 PolarHBondContact O-N 3.12Å; H568-R572 PolarHBondContact NE2-NH2 3.4Å; H568-R572 VanDerWaalsContact O-CB 3.32Å; H568-R572 WeakPolarHBondContact O-CB 3.44Å; H568-R572 PolarHBondContact O-N 2.87Å
569	Y	95.7	Very high	94	Very high	14 Å²	14	59.4 Å²	59.4	6%	0.055	31%	0.307	C	S	.	.	H	α-helix	trans	-67.1	-36.5	172.6	-78.6	-67.6	0	0	0	113.2	E429 D430 H433 I562 D565 F566 Q573	E429-Y569 HydrophobicContact CB-CE1 4.06Å; E429-Y569 WeakPolarHBondContact CB-OH 3.47Å; E429-Y569 PolarHBondContact OE2-OH 2.89Å; D430-Y569 HydrophobicContact CB-CD1 4.36Å; D430-Y569 HydrophobicContact CB-CE1 4.41Å; D430-Y569 WeakPolarHBondContact OD1-CE1 3.28Å; H433-Y569 HydrophobicContact CB-CD1 4.31Å; H433-Y569 HydrophobicContact CB-CG 4.02Å; H433-Y569 VanDerWaalsContact CG-CB 3.48Å; I562-Y569 HydrophobicContact CD1-CE2 4.39Å; I562-Y569 HydrophobicContact CG1-CD2 4.19Å; I562-Y569 HydrophobicContact CG1-CE2 4.06Å; D565-Y569 HydrophobicContact CB-CD2 3.99Å; D565-Y569 HydrophobicContact CB-CE2 3.82Å; D565-Y569 WeakPolarHBondContact O-CD2 3.13Å; D565-Y569 PolarHBondContact O-N 3.43Å; F566-Y569 PolarHBondContact O-N 3.2Å; Y569-Q573 PolarHBondContact O-N 2.9Å
570	E	95	Very high	93.6	Very high	15 Å²	15	57.4 Å²	57.4	7%	0.07	28%	0.284	C	S	.	.	H	α-helix	trans	-64	-52	174.1	-73	-78.2	66.8	0	0	112.1	H395 V397 H433 K437 F566 R572 Q573 E574	H395-E570 IonicContact CE1-OE2 3.37Å; H395-E570 PolarHBondContact CE1-OE2 2.93Å; H395-E570 VanDerWaalsContact CE1-OE2 3.23Å; H395-E570 IonicContact ND1-OE2 2.69Å; H395-E570 PolarHBondContact ND1-OE2 2.8Å; V397-E570 WeakPolarHBondContact CB-OE2 3.41Å; V397-E570 WeakPolarHBondContact CG1-OE2 3.4Å; V397-E570 WeakPolarHBondContact CG2-OE2 3.39Å; H433-E570 IonicContact CE1-OE1 2.69Å; H433-E570 PolarHBondContact CE1-OE1 3.38Å; H433-E570 IonicContact NE2-OE1 3.23Å; H433-E570 PolarHBondContact NE2-OE1 2.83Å; K437-E570 VanDerWaalsContact CD-OE1 3.31Å; K437-E570 WeakPolarHBondContact CD-OE1 3.29Å; K437-E570 WeakPolarHBondContact CE-OE1 3.46Å; K437-E570 IonicContact NZ-OE1 3.07Å; K437-E570 PolarHBondContact NZ-OE1 3.11Å; K437-E570 IonicContact NZ-OE2 2.8Å; F566-E570 HydrophobicContact CD1-CG 3.58Å; F566-E570 HydrophobicContact CE1-CG 3.38Å; F566-E570 HydrophobicContact CZ-CG 4.34Å; F566-E570 WeakPolarHBondContact O-CG 3.43Å; F566-E570 PolarHBondContact O-N 3.42Å; E570-R572 VanDerWaalsContact C-N 3.33Å; E570-R572 PolarHBondContact O-N 3.42Å; E570-Q573 PolarHBondContact O-N 3.43Å; E570-Q573 VanDerWaalsContact O-N 3.13Å; E570-E574 PolarHBondContact O-N 3.07Å
571	K	94.4	Very high	93.1	Very high	128 Å²	128	63.2 Å²	63.2	56%	0.557	30%	0.302	S	S	*	.	H	α-helix	trans	-56.3	-46.6	176.6	174.7	174.8	170.6	175.4	0	111.7	A567 Q573 E574 E575	A567-K571 WeakPolarHBondContact O-CB 3.38Å; A567-K571 PolarHBondContact O-N 3.45Å; K571-Q573 VanDerWaalsContact C-N 3.31Å; K571-Q573 PolarHBondContact O-N 2.89Å; K571-E574 PolarHBondContact O-N 3.01Å; K571-E575 WeakPolarHBondContact CE-OE1 3.43Å; K571-E575 IonicContact NZ-OE1 2.7Å; K571-E575 WeakPolarHBondContact O-CG 3.44Å; K571-E575 PolarHBondContact O-N 2.99Å
572	R	93.7	Very high	92.7	Very high	72 Å²	72	67.5 Å²	67.5	27%	0.272	32%	0.321	S	S	.	.	H	α-helix	trans	-61.2	-38.2	178.3	-175.4	-166.3	-73.2	175.9	-5.7	112.1	D430 H568 E570 E576	D430-R572 WeakPolarHBondContact OD1-CD 3.26Å; D430-R572 IonicContact OD1-CZ 2.75Å; D430-R572 IonicContact OD1-NE 3.16Å; D430-R572 IonicContact OD1-NH1 3.65Å; D430-R572 PolarHBondContact OD1-NH1 3.12Å; D430-R572 IonicContact OD2-NH1 3.81Å; D430-R572 PolarHBondContact OD2-NH1 3.03Å; H568-R572 PolarHBondContact NE2-NH2 3.4Å; H568-R572 VanDerWaalsContact O-CB 3.32Å; H568-R572 WeakPolarHBondContact O-CB 3.44Å; H568-R572 PolarHBondContact O-N 2.87Å; E570-R572 VanDerWaalsContact C-N 3.33Å; E570-R572 PolarHBondContact O-N 3.42Å; R572-E576 WeakPolarHBondContact O-CB 3.46Å; R572-E576 PolarHBondContact O-N 3.39Å
573	Q	92.5	Very high	92.2	Very high	4 Å²	4	75 Å²	75	2%	0.019	35%	0.349	C	S	.	.	H	α-helix	trans	-65.2	-42.3	174.9	-175.7	-176.4	-15.2	0	0	111.4	Y438 Y569 E570 K571 E576 E577	Y438-Q573 PolarHBondContact OH-NE2 3.36Å; Y569-Q573 PolarHBondContact O-N 2.9Å; E570-Q573 PolarHBondContact O-N 3.43Å; E570-Q573 VanDerWaalsContact O-N 3.13Å; K571-Q573 VanDerWaalsContact C-N 3.31Å; K571-Q573 PolarHBondContact O-N 2.89Å; Q573-E576 PolarHBondContact O-N 3.03Å; Q573-E577 HydrophobicContact CG-CG 4.43Å; Q573-E577 PolarHBondContact NE2-OE1 3Å; Q573-E577 WeakPolarHBondContact O-CB 3.24Å; Q573-E577 WeakPolarHBondContact O-CG 3.31Å; Q573-E577 PolarHBondContact O-N 3.24Å
574	E	92.7	Very high	91.5	Very high	147 Å²	147	77.8 Å²	77.8	69%	0.687	37%	0.365	S	S	*	.	H	α-helix	trans	-62.4	-43.5	177.3	-176.4	169.9	-148.2	0	0	112	E570 K571 E577 A578	E570-E574 PolarHBondContact O-N 3.07Å; K571-E574 PolarHBondContact O-N 3.01Å; E574-E577 PolarHBondContact O-N 3.08Å; E574-A578 VanDerWaalsContact O-CB 3.31Å; E574-A578 WeakPolarHBondContact O-CB 3.32Å; E574-A578 PolarHBondContact O-N 2.86Å
575	E	92.9	Very high	91	Very high	95 Å²	95	79.7 Å²	79.7	44%	0.444	37%	0.365	S	S	.	.	H	α-helix	trans	-61.1	-44.6	174.7	-70.4	173.5	164.2	0	0	111.9	K571 A578 M579	K571-E575 WeakPolarHBondContact CE-OE1 3.43Å; K571-E575 IonicContact NZ-OE1 2.7Å; K571-E575 WeakPolarHBondContact O-CG 3.44Å; K571-E575 PolarHBondContact O-N 2.99Å; E575-A578 PolarHBondContact O-N 3.3Å; E575-M579 WeakPolarHBondContact O-CE 3.43Å; E575-M579 WeakPolarHBondContact O-CG 3.44Å; E575-M579 PolarHBondContact O-N 3.17Å
576	E	90.3	Very high	90.4	Very high	72 Å²	72	82.6 Å²	82.6	34%	0.336	38%	0.38	S	S	.	.	H	α-helix	trans	-64.1	-43.7	176.5	-167.7	-171.6	160.9	0	0	112.1	R434 R572 Q573 M579 R580	R434-E576 IonicContact CZ-OE2 3.76Å; R434-E576 IonicContact NH1-OE1 3.94Å; R434-E576 IonicContact NH1-OE2 2.72Å; R434-E576 PolarHBondContact NH1-OE2 2.89Å; R434-E576 VanDerWaalsContact NH1-OE2 3.14Å; R434-E576 IonicContact NH2-OE2 3.63Å; R434-E576 PolarHBondContact NH2-OE2 3.06Å; R572-E576 WeakPolarHBondContact O-CB 3.46Å; R572-E576 PolarHBondContact O-N 3.39Å; Q573-E576 PolarHBondContact O-N 3.03Å; E576-M579 PolarHBondContact O-N 2.92Å; E576-R580 WeakPolarHBondContact O-CB 3.33Å; E576-R580 PolarHBondContact O-N 3.43Å
577	E	89.2	Confident	89.4	Confident	64 Å²	64	88.9 Å²	88.9	30%	0.299	41%	0.408	S	S	.	.	H	α-helix	trans	-67.4	-37.2	177.4	-77.7	-170.7	-153.3	0	0	112.7	Q573 E574 R580 R581	Q573-E577 HydrophobicContact CG-CG 4.43Å; Q573-E577 PolarHBondContact NE2-OE1 3Å; Q573-E577 WeakPolarHBondContact O-CB 3.24Å; Q573-E577 WeakPolarHBondContact O-CG 3.31Å; Q573-E577 PolarHBondContact O-N 3.24Å; E574-E577 PolarHBondContact O-N 3.08Å; E577-R580 PolarHBondContact O-N 3.29Å; E577-R581 VanDerWaalsContact O-CB 3.24Å; E577-R581 WeakPolarHBondContact O-CB 3.26Å; E577-R581 PolarHBondContact O-N 2.95Å; E577-R581 IonicContact OE2-NH2 2.67Å
578	A	91	Very high	87.6	Confident	43 Å²	43	97.4 Å²	97.4	36%	0.355	44%	0.439	S	S	.	.	H	α-helix	trans	-62.4	-49	173.2	0	0	0	0	0	111.1	E574 E575 R580 R581 E582	E574-A578 VanDerWaalsContact O-CB 3.31Å; E574-A578 WeakPolarHBondContact O-CB 3.32Å; E574-A578 PolarHBondContact O-N 2.86Å; E575-A578 PolarHBondContact O-N 3.3Å; A578-R580 VanDerWaalsContact C-N 3.35Å; A578-R580 PolarHBondContact O-N 3.2Å; A578-R581 WeakPolarHBondContact O-CB 3.42Å; A578-R581 PolarHBondContact O-N 3.42Å; A578-E582 PolarHBondContact O-N 3.48Å
579	M	88.9	Confident	87.2	Confident	127 Å²	127	99.7 Å²	99.7	63%	0.626	45%	0.448	S	S	*	.	H	α-helix	trans	-60.6	-40.5	175.2	-74.2	-172.8	-75.4	0	0	112.3	E575 E576 E582 R583	E575-M579 WeakPolarHBondContact O-CE 3.43Å; E575-M579 WeakPolarHBondContact O-CG 3.44Å; E575-M579 PolarHBondContact O-N 3.17Å; E576-M579 PolarHBondContact O-N 2.92Å; M579-E582 PolarHBondContact O-N 3.14Å; M579-R583 VanDerWaalsContact O-CB 3.26Å; M579-R583 WeakPolarHBondContact O-CB 3.46Å; M579-R583 PolarHBondContact O-N 3.28Å
580	R	85.9	Confident	86.7	Confident	91 Å²	91	104.2 Å²	104.2	34%	0.343	47%	0.469	S	S	.	.	H	α-helix	trans	-67.1	-37	176.5	-165.6	169.9	74.6	176	-7.3	112	G493 D498 E576 E577 A578 N584	G493-R580 PolarHBondContact O-NH1 3.02Å; G493-R580 PolarHBondContact O-NH2 2.8Å; D498-R580 IonicContact OD1-NH1 3.14Å; D498-R580 PolarHBondContact OD1-NH1 3.28Å; E576-R580 WeakPolarHBondContact O-CB 3.33Å; E576-R580 PolarHBondContact O-N 3.43Å; E577-R580 PolarHBondContact O-N 3.29Å; A578-R580 VanDerWaalsContact C-N 3.35Å; A578-R580 PolarHBondContact O-N 3.2Å; R580-N584 WeakPolarHBondContact O-CB 2.81Å; R580-N584 VanDerWaalsContact O-CG 3.24Å; R580-N584 PolarHBondContact O-N 3.05Å; R580-N584 VanDerWaalsContact O-N 3.12Å; R580-N584 PolarHBondContact O-ND2 2.75Å
581	R	87.9	Confident	86.3	Confident	158 Å²	158	109.1 Å²	109.1	60%	0.596	49%	0.491	S	S	*	.	H	α-helix	trans	-65.1	-45	175.8	-167	-179.7	-59	123.2	5.8	111.3	E577 A578 N584 R585	E577-R581 VanDerWaalsContact O-CB 3.24Å; E577-R581 WeakPolarHBondContact O-CB 3.26Å; E577-R581 PolarHBondContact O-N 2.95Å; E577-R581 IonicContact OE2-NH2 2.67Å; A578-R581 WeakPolarHBondContact O-CB 3.42Å; A578-R581 PolarHBondContact O-N 3.42Å; R581-N584 PolarHBondContact O-N 2.96Å; R581-R585 PolarHBondContact O-N 3.1Å
582	E	89.1	Confident	85.8	Confident	97 Å²	97	108 Å²	108	45%	0.453	49%	0.487	S	S	.	.	H	α-helix	trans	-66.8	-44.4	176.6	-176.6	138.6	-107.1	0	0	112.6	A578 M579 N584 R585 N586	A578-E582 PolarHBondContact O-N 3.48Å; M579-E582 PolarHBondContact O-N 3.14Å; E582-N584 PolarHBondContact O-N 2.9Å; E582-R585 PolarHBondContact O-N 2.95Å; E582-R585 VanDerWaalsContact O-N 3.14Å; E582-R585 IonicContact OE1-CZ 2.61Å; E582-R585 IonicContact OE1-NH1 3.62Å; E582-R585 PolarHBondContact OE1-NH1 3.08Å; E582-R585 IonicContact OE1-NH2 2.6Å; E582-R585 PolarHBondContact OE1-NH2 2.7Å; E582-N586 PolarHBondContact O-N 2.79Å
583	R	85.2	Confident	85.3	Confident	172 Å²	172	110.3 Å²	110.3	65%	0.649	50%	0.501	S	S	*	.	H	α-helix	trans	-60.4	-26.2	174.4	-173.9	179.6	-177.7	-148.7	2.9	113.1	M579 K587	M579-R583 VanDerWaalsContact O-CB 3.26Å; M579-R583 WeakPolarHBondContact O-CB 3.46Å; M579-R583 PolarHBondContact O-N 3.28Å; R583-K587 WeakPolarHBondContact O-CD 3.34Å; R583-K587 WeakPolarHBondContact O-CG 3.21Å
584	N	83.3	Confident	84.8	Confident	83 Å²	83	117.3 Å²	117.3	44%	0.444	53%	0.533	S	S	.	.	H	α-helix	trans	-86.7	-34.3	175.3	-72.5	-11.7	0	0	0	112.4	R580 R581 E582 N586 K587	R580-N584 WeakPolarHBondContact O-CB 2.81Å; R580-N584 VanDerWaalsContact O-CG 3.24Å; R580-N584 PolarHBondContact O-N 3.05Å; R580-N584 VanDerWaalsContact O-N 3.12Å; R580-N584 PolarHBondContact O-ND2 2.75Å; R581-N584 PolarHBondContact O-N 2.96Å; E582-N584 PolarHBondContact O-N 2.9Å; N584-N586 VanDerWaalsContact C-N 3.34Å; N584-K587 PolarHBondContact O-N 3.47Å
585	R	85.9	Confident	84.3	Confident	135 Å²	135	115.2 Å²	115.2	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-61.3	-42.7	171.7	-167.7	-167.4	69.5	-132.9	-10.7	111.2	R581 E582 K587 Q588	R581-R585 PolarHBondContact O-N 3.1Å; E582-R585 PolarHBondContact O-N 2.95Å; E582-R585 VanDerWaalsContact O-N 3.14Å; E582-R585 IonicContact OE1-CZ 2.61Å; E582-R585 IonicContact OE1-NH1 3.62Å; E582-R585 PolarHBondContact OE1-NH1 3.08Å; E582-R585 IonicContact OE1-NH2 2.6Å; E582-R585 PolarHBondContact OE1-NH2 2.7Å; R585-K587 PolarHBondContact O-N 2.96Å; R585-Q588 PolarHBondContact O-N 2.83Å
586	N	80.1	Confident	83.6	Confident	110 Å²	110	116.8 Å²	116.8	59%	0.588	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	19.5	179.3	-59.5	-1.4	0	0	0	113.7	E582 N584	E582-N586 PolarHBondContact O-N 2.79Å; N584-N586 VanDerWaalsContact C-N 3.34Å
587	K	73.9	Confident	83.1	Confident	136 Å²	136	120.5 Å²	120.5	59%	0.591	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125	2.8	173.4	-71.6	174.3	-178	174.7	0	112.7	R583 N584 R585	R583-K587 WeakPolarHBondContact O-CD 3.34Å; R583-K587 WeakPolarHBondContact O-CG 3.21Å; N584-K587 PolarHBondContact O-N 3.47Å; R585-K587 PolarHBondContact O-N 2.96Å
588	Q	56.3	Low	82.5	Confident	230 Å²	230	125.6 Å²	125.6	100%	1.075	57%	0.566	S	S	*	*			trans	-107.5	0	172.8	-67	-175.3	-38	0	0	108.9	R585	R585-Q588 PolarHBondContact O-N 2.83Å

Retrieved 588 of 588 residues in 110.6 ms (Link to these results)

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