A0A087YN20_POEFO Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A087YN20, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 713 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30	Very low	33.3	Very low	213 Å²	213	161.6 Å²	161.6	100%	1.049	84%	0.836	S	S	*	*				0	60.1	0	-49.7	-64.6	173.2	0	0	107.4
2	D	32.4	Very low	32.9	Very low	122 Å²	122	156.3 Å²	156.3	65%	0.652	83%	0.833	S	S	*	*				84.9	109.8	59.7	-52.9	-17.3	0	0	0	107.8
3	E	40	Very low	33	Very low	176 Å²	176	159.1 Å²	159.1	82%	0.822	84%	0.838	S	S	*	*				76.7	138.8	84	-80.4	177.3	-164.6	0	0	112.3
4	D	37.4	Very low	32.7	Very low	144 Å²	144	161.6 Å²	161.6	77%	0.77	84%	0.843	S	S	*	*			cis	-166.5	-158.4	-8	-164.7	3.3	0	0	0	109.4
5	V	36	Very low	32.8	Very low	127 Å²	127	158.9 Å²	158.9	77%	0.77	84%	0.839	S	S	*	*			trans	100.7	129.5	152.4	-168.3	0	0	0	0	117.9
6	T	36.3	Very low	32.7	Very low	134 Å²	134	161.9 Å²	161.9	82%	0.822	84%	0.843	S	S	*	*			trans	-101.4	-180	-174.7	37.2	0	0	0	0	114.1
7	R	32.8	Very low	32.6	Very low	241 Å²	241	161 Å²	161	91%	0.909	84%	0.838	S	S	*	*			trans	-65.5	152.7	176.2	-61.4	167.6	172.2	162.5	-5.9	112.6
8	L	30.1	Very low	32.7	Very low	180 Å²	180	161.2 Å²	161.2	94%	0.942	84%	0.838	S	S	*	*			trans	-123	156.9	155.8	-87.7	167.1	0	0	0	110.5
9	A	27.7	Very low	32.6	Very low	90 Å²	90	159.7 Å²	159.7	74%	0.744	83%	0.83	S	S	*	*			trans	-114	164.4	177.3	0	0	0	0	0	110.6
10	I	32.8	Very low	32.6	Very low	169 Å²	169	161.4 Å²	161.4	87%	0.867	83%	0.833	S	S	*	*			trans	-129	135	177.2	-64.1	178.5	0	0	0	108.4
11	H	30.7	Very low	32.5	Very low	182 Å²	182	157.3 Å²	157.3	84%	0.843	83%	0.83	S	S	*	*			trans	-84.7	161.4	175.4	-91.3	-109.3	0	0	0	111.8
12	A	28.4	Very low	32.6	Very low	97 Å²	97	153.2 Å²	153.2	80%	0.802	82%	0.823	S	S	*	*			trans	-89.6	149.6	168.1	0	0	0	0	0	111.6
13	E	34.7	Very low	32.9	Very low	193 Å²	193	151.7 Å²	151.7	90%	0.902	83%	0.827	S	S	*	*			trans	-120.6	144.8	162.5	-68.8	-172	129.8	0	0	108.8
14	E	28.1	Very low	32.6	Very low	194 Å²	194	151.1 Å²	151.1	91%	0.907	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-89.1	137.4	177.2	-64.7	-178.9	156.1	0	0	111.5
15	P	35	Very low	32.8	Very low	121 Å²	121	152.6 Å²	152.6	79%	0.786	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-84.9	139.4	178.1	33	-33.8	0	0	0	113
16	K	31.2	Very low	32.8	Very low	208 Å²	208	150.3 Å²	150.3	90%	0.904	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-75.7	138.3	165.7	-69.4	177.5	-179.4	172.8	0	110.5
17	I	30.6	Very low	32.6	Very low	146 Å²	146	149.3 Å²	149.3	75%	0.749	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-93.5	132.5	173.7	-58.6	175.7	0	0	0	109.9	I19	I17-I19 HydrophobicContact CG2-CD1 4.49Å; I17-I19 HydrophobicContact CG2-CG1 3.8Å
18	I	33.9	Very low	33.3	Very low	165 Å²	165	143 Å²	143	85%	0.846	84%	0.838	S	S	*	*			trans	-109.4	132.2	161.8	-62.6	174.9	0	0	0	107
19	I	32	Very low	34.1	Very low	133 Å²	133	138.5 Å²	138.5	68%	0.682	83%	0.834	S	S	*	*			trans	-113	126.9	177.4	-57.2	178.9	0	0	0	108.8	I17	I17-I19 HydrophobicContact CG2-CD1 4.49Å; I17-I19 HydrophobicContact CG2-CG1 3.8Å
20	H	31.7	Very low	34.3	Very low	192 Å²	192	138 Å²	138	89%	0.889	84%	0.839	S	S	*	*			trans	169.5	140.9	142.1	-79	-45.8	0	0	0	106.2
21	G	31	Very low	34.6	Very low	76 Å²	76	138 Å²	138	78%	0.784	83%	0.834	S	S	*	*			cis	154	74.6	3.8	0	0	0	0	0	108.8
22	S	32.1	Very low	34.7	Very low	128 Å²	128	138.4 Å²	138.4	90%	0.895	84%	0.837	S	S	*	*			trans	-90.3	129.6	-167	54.2	0	0	0	0	113.7
23	A	37.3	Very low	35	Very low	89 Å²	89	141.7 Å²	141.7	74%	0.736	83%	0.834	S	S	*	*			trans	-133.8	112.6	163	0	0	0	0	0	109.6
24	D	35.5	Very low	34.8	Very low	165 Å²	165	139.1 Å²	139.1	88%	0.882	83%	0.83	S	S	*	*			trans	52.9	133	162.4	-53.9	-18.8	0	0	0	121
25	D	40.4	Very low	34.9	Very low	175 Å²	175	135 Å²	135	94%	0.936	82%	0.818	S	S	*	*			trans	-69.6	137.3	-176.2	-69.6	-66	0	0	0	113.9
26	G	35.5	Very low	34.8	Very low	78 Å²	78	137.4 Å²	137.4	80%	0.804	82%	0.819	S	S	*	*			trans	178.5	-0.4	171.5	0	0	0	0	0	124.5
27	S	32.4	Very low	34.7	Very low	114 Å²	114	134.9 Å²	134.9	80%	0.797	82%	0.815	S	S	*	*			trans	172.3	105.2	155.2	174.4	0	0	0	0	114.3	G29	S27-G29 PolarHBondContact O-N 3.47Å
28	A	49.1	Very low	34.6	Very low	109 Å²	109	135.8 Å²	135.8	90%	0.901	82%	0.816	S	S	*	*			trans	19.8	91.8	148.6	0	0	0	0	0	118.9
29	G	46.1	Very low	34.5	Very low	84 Å²	84	136.9 Å²	136.9	87%	0.866	82%	0.817	S	S	*	*			trans	169.3	75.7	168.4	0	0	0	0	0	114.8	S27	S27-G29 PolarHBondContact O-N 3.47Å
30	G	31.3	Very low	34.3	Very low	81 Å²	81	136.5 Å²	136.5	84%	0.835	82%	0.822	S	S	*	*			trans	-134.8	115.1	173.6	0	0	0	0	0	111
31	Q	39.6	Very low	34.3	Very low	167 Å²	167	133.2 Å²	133.2	78%	0.78	81%	0.814	S	S	*	*			trans	-100.1	132.8	168	-67.5	-177.1	-75.8	0	0	108.7	F33	Q31-F33 HydrophobicContact CB-CE2 4.09Å
32	E	32.8	Very low	34	Very low	191 Å²	191	137.7 Å²	137.7	89%	0.893	82%	0.82	S	S	*	*			trans	-66.1	135.5	167.2	-64.5	176.1	117.1	0	0	109.8
33	F	33.9	Very low	34.1	Very low	167 Å²	167	138 Å²	138	73%	0.732	82%	0.815	S	S	*	*			trans	-118.3	97.8	167.4	-81	-84.5	0	0	0	109.3	Q31 V35	Q31-F33 HydrophobicContact CB-CE2 4.09Å; F33-V35 HydrophobicContact CB-CG2 4.47Å; F33-V35 PolarHBondContact O-N 3.47Å
34	V	32	Very low	33.7	Very low	138 Å²	138	139.1 Å²	139.1	84%	0.836	82%	0.818	S	S	*	*			trans	-72	117.4	162.5	179.4	0	0	0	0	107.3
35	V	29.1	Very low	33.7	Very low	107 Å²	107	140.8 Å²	140.8	65%	0.648	82%	0.821	S	S	*	*			trans	-115.7	96.1	174.3	-179.1	0	0	0	0	108.7	F33 L37	F33-V35 HydrophobicContact CB-CG2 4.47Å; F33-V35 PolarHBondContact O-N 3.47Å; V35-L37 HydrophobicContact CG1-CD1 4.09Å; V35-L37 HydrophobicContact CG1-CG 4.01Å
36	E	33.2	Very low	33.2	Very low	172 Å²	172	136.1 Å²	136.1	80%	0.804	81%	0.814	S	S	*	*			trans	-72.3	132.1	162.6	-179.1	177.2	-142	0	0	108.7
37	L	28.2	Very low	33	Very low	156 Å²	156	142.2 Å²	142.2	82%	0.817	82%	0.822	S	S	*	*			trans	-132.1	124	174.4	-89.2	169.3	0	0	0	110.6	V35	V35-L37 HydrophobicContact CG1-CD1 4.09Å; V35-L37 HydrophobicContact CG1-CG 4.01Å
38	Q	29.8	Very low	32.9	Very low	165 Å²	165	140.4 Å²	140.4	77%	0.771	82%	0.821	S	S	*	*			trans	-78.9	157	177.4	-64.5	172	-22.4	0	0	111
39	E	30.5	Very low	32.1	Very low	188 Å²	188	144.9 Å²	144.9	88%	0.879	82%	0.824	S	S	*	*			trans	-66.7	130.5	162	-72.9	-174.3	112.2	0	0	110.6
40	T	29.5	Very low	31.3	Very low	125 Å²	125	144.4 Å²	144.4	77%	0.767	82%	0.819	S	S	*	*			trans	-135	118.2	154.8	55.1	0	0	0	0	109.7
41	V	30.1	Very low	31.1	Very low	122 Å²	122	150 Å²	150	74%	0.739	83%	0.825	S	S	*	*			trans	-77.2	133.4	175.5	175	0	0	0	0	110.2	V43	V41-V43 HydrophobicContact CG1-CG2 4.23Å
42	L	25.3	Very low	30.8	Very low	171 Å²	171	146.8 Å²	146.8	90%	0.895	83%	0.827	S	S	*	*			trans	-134.7	142.6	159.1	-74	178.4	0	0	0	110
43	V	33.6	Very low	30.6	Very low	133 Å²	133	144.6 Å²	144.6	81%	0.806	83%	0.827	S	S	*	*			trans	-120.7	133.9	-177.7	176.2	0	0	0	0	108.9	V41	V41-V43 HydrophobicContact CG1-CG2 4.23Å
44	S	29.6	Very low	30.3	Very low	114 Å²	114	144.4 Å²	144.4	80%	0.797	83%	0.828	S	S	*	*			trans	-161.2	148.1	158.8	56.6	0	0	0	0	111.2
45	E	34.8	Very low	30.1	Very low	199 Å²	199	148.2 Å²	148.2	93%	0.93	83%	0.827	S	S	*	*			trans	-77.7	167.2	-178.6	-58.3	130.5	132.4	0	0	113.1
46	G	30.9	Very low	30	Very low	78 Å²	78	153 Å²	153	80%	0.804	84%	0.84	S	S	*	*			trans	-174.8	126.5	172.8	0	0	0	0	0	112.9
47	E	31.4	Very low	30.1	Very low	206 Å²	206	148.8 Å²	148.8	96%	0.963	83%	0.834	S	S	*	*			trans	-94.6	159.9	-179.6	-55.9	167.6	118.8	0	0	111.1
48	G	30.6	Very low	30.8	Very low	76 Å²	76	146.6 Å²	146.6	78%	0.784	83%	0.829	S	S	*	*			trans	160.5	123.2	164.8	0	0	0	0	0	118
49	E	32	Very low	31	Very low	203 Å²	203	147.5 Å²	147.5	95%	0.949	83%	0.833	S	S	*	*			trans	-51.3	155.9	161.2	-54.5	164	130.7	0	0	112
50	G	28.7	Very low	31	Very low	74 Å²	74	145.9 Å²	145.9	76%	0.763	83%	0.826	S	S	*	*			cis	122.1	86.6	11.5	0	0	0	0	0	111.8
51	M	28.4	Very low	31	Very low	198 Å²	198	146.4 Å²	146.4	98%	0.975	82%	0.823	S	S	*	*			trans	-155.3	156	170.8	-105.2	-170.9	-173.2	0	0	112.7
52	A	31.7	Very low	30.8	Very low	99 Å²	99	146 Å²	146	82%	0.818	82%	0.82	S	S	*	*			trans	-129.8	145.5	-179.3	0	0	0	0	0	111.9
53	V	28.8	Very low	30.9	Very low	146 Å²	146	143.9 Å²	143.9	89%	0.885	81%	0.809	S	S	*	*			trans	-139.1	149.7	178.1	-176	0	0	0	0	111.2
54	H	29	Very low	30.5	Very low	162 Å²	162	144.5 Å²	144.5	75%	0.75	80%	0.803	S	S	*	*			trans	-80.5	135.1	-174.9	-95.1	-141.8	0	0	0	115.3
55	R	27.6	Very low	30.6	Very low	219 Å²	219	145.7 Å²	145.7	83%	0.826	80%	0.8	S	S	*	*				25	120.2	117.4	-176.9	-162.4	-148.7	151.2	7.1	118.1
56	F	27.5	Very low	30.5	Very low	208 Å²	208	139.8 Å²	139.8	91%	0.912	79%	0.785	S	S	*	*			trans	-154.5	159.1	142.7	-103	-71.8	0	0	0	112.4
57	A	33.4	Very low	30.6	Very low	82 Å²	82	141.6 Å²	141.6	68%	0.678	78%	0.781	S	S	*	*			trans	-139.1	154.1	166.6	0	0	0	0	0	108.3
58	P	44.4	Very low	30.8	Very low	111 Å²	111	140.1 Å²	140.1	72%	0.721	77%	0.774	S	S	*	*				-123	164.8	118.5	1.4	21.1	0	0	0	110.8
59	E	32.9	Very low	30.8	Very low	183 Å²	183	143.6 Å²	143.6	86%	0.855	78%	0.775	S	S	*	*				62	144.1	59.6	-48.3	-175.1	153.5	0	0	112.2
60	E	30.2	Very low	30.7	Very low	154 Å²	154	139.8 Å²	139.8	72%	0.72	77%	0.765	S	S	*	*			cis	-162.5	169.9	26	-148.2	-164	159.8	0	0	111.4
61	L	29.5	Very low	30.8	Very low	136 Å²	136	142.5 Å²	142.5	71%	0.712	77%	0.766	S	S	*	*			trans	67	157.1	155.9	-59.6	169.3	0	0	0	121.5
62	V	26.3	Very low	30.9	Very low	113 Å²	113	138.4 Å²	138.4	69%	0.685	76%	0.757	S	S	*	*			cis	-171.1	166.8	-34	76.5	0	0	0	0	112
63	I	26.7	Very low	30.9	Very low	127 Å²	127	140.6 Å²	140.6	65%	0.651	75%	0.751	S	S	*	*			trans	80.4	109.7	157.4	-73.9	170.8	0	0	0	120.7
64	Q	26.5	Very low	31	Very low	147 Å²	147	143.2 Å²	143.2	69%	0.687	75%	0.746	S	S	*	*				52.8	141.6	129.1	-59.5	-175.5	-109.5	0	0	125.5
65	D	31.8	Very low	31	Very low	138 Å²	138	140.8 Å²	140.8	74%	0.738	74%	0.742	S	S	*	*			trans	63	149.8	140.3	-60.3	-12.8	0	0	0	120.6
66	A	33.1	Very low	31	Very low	75 Å²	75	139 Å²	139	62%	0.62	74%	0.743	S	S	*	*			cis	-168.3	161.2	-24.9	0	0	0	0	0	110.3
67	V	32.8	Very low	31	Very low	117 Å²	117	131.6 Å²	131.6	71%	0.709	73%	0.726	S	S	*	*			trans	50.9	138.5	159.4	-72.7	0	0	0	0	122.3
68	E	34	Very low	30.9	Very low	175 Å²	175	135.1 Å²	135.1	82%	0.818	73%	0.733	S	S	*	*			trans	62.1	147.7	144	-69.3	161.8	-148	0	0	118.9
69	D	31.9	Very low	30.8	Very low	149 Å²	149	138.3 Å²	138.3	80%	0.797	74%	0.738	S	S	*	*			cis	178.6	-178.5	-23.6	-149.9	-32.2	0	0	0	104.6
70	V	29.7	Very low	31.2	Very low	122 Å²	122	136.3 Å²	136.3	74%	0.739	73%	0.733	S	S	*	*			trans	87.3	91.7	169.9	-167.7	0	0	0	0	118.9
71	V	30.3	Very low	31.9	Very low	131 Å²	131	137.1 Å²	137.1	79%	0.794	74%	0.737	S	S	*	*				39.2	113.2	126.2	-171	0	0	0	0	121.3
72	S	29.6	Very low	32.2	Very low	113 Å²	113	137 Å²	137	79%	0.79	74%	0.737	S	S	*	*			trans	170.1	93.2	135.4	-175.6	0	0	0	0	108.7
73	E	33.4	Very low	32.5	Very low	145 Å²	145	137.1 Å²	137.1	68%	0.678	74%	0.738	S	S	*	*				68.9	118.8	72.3	-129.2	-173.3	-148.1	0	0	115.9
74	Y	29.3	Very low	32.8	Very low	201 Å²	201	135.5 Å²	135.5	79%	0.788	74%	0.744	S	S	*	*			trans	64.4	143.6	173.8	-60.9	-73.9	0	0	0	117.9
75	V	29.5	Very low	33	Very low	111 Å²	111	134.3 Å²	134.3	67%	0.673	75%	0.746	S	S	*	*			cis	-134.1	145.8	4.3	-179.5	0	0	0	0	107.1
76	H	28.4	Very low	33.3	Very low	181 Å²	181	136.9 Å²	136.9	84%	0.838	75%	0.753	S	S	*	*				-165.6	146.5	83.6	-74.1	74.8	0	0	0	108.8
77	G	26.6	Very low	33.2	Very low	53 Å²	53	137.4 Å²	137.4	55%	0.546	75%	0.749	S	S	.	*				84.6	89.3	90	0	0	0	0	0	110.6
78	D	32.1	Very low	33	Very low	156 Å²	156	137.1 Å²	137.1	83%	0.834	75%	0.751	S	S	*	*				68.8	129.9	64.8	-49.4	-41.2	0	0	0	110.3
79	E	41.5	Very low	32.8	Very low	178 Å²	178	135.4 Å²	135.4	83%	0.832	75%	0.752	S	S	*	*			cis	-146.2	155.7	17.3	-62.7	176.5	131.8	0	0	113.4
80	D	41.3	Very low	32.8	Very low	141 Å²	141	136.7 Å²	136.7	75%	0.754	76%	0.756	S	S	*	*			trans	36.2	136.4	140.3	-56.4	-16.8	0	0	0	123.8
81	E	45.8	Very low	33.1	Very low	171 Å²	171	135 Å²	135	80%	0.799	75%	0.754	S	S	*	*				62.4	145.7	86.1	-41.3	-132.9	132.1	0	0	114.6
82	D	34.5	Very low	33.1	Very low	133 Å²	133	135.3 Å²	135.3	71%	0.711	75%	0.751	S	S	*	*			cis	-161.8	170.4	12.4	-158.4	8.8	0	0	0	114.2
83	V	34	Very low	33	Very low	116 Å²	116	138.4 Å²	138.4	70%	0.703	75%	0.753	S	S	*	*			trans	57	123	141.4	148.4	0	0	0	0	126
84	A	32.2	Very low	32.8	Very low	93 Å²	93	135.2 Å²	135.2	77%	0.769	76%	0.759	S	S	*	*			trans	72	174.1	140.1	0	0	0	0	0	124.1
85	V	30.5	Very low	32.8	Very low	121 Å²	121	134.5 Å²	134.5	73%	0.733	76%	0.763	S	S	*	*			trans	-151.5	131.2	-167.1	-175.7	0	0	0	0	110.5
86	E	39.3	Very low	32.9	Very low	192 Å²	192	138.6 Å²	138.6	90%	0.897	78%	0.775	S	S	*	*				-176.6	150	126	-102.7	-173.6	152.9	0	0	114.3
87	T	29.8	Very low	32.9	Very low	87 Å²	87	139.6 Å²	139.6	53%	0.534	78%	0.779	S	S	.	*			trans	-77.3	160.6	-169.6	43.6	0	0	0	0	116.7	F395	T87-F395 HydrophobicContact CG2-CE1 4.34Å; T87-F395 HydrophobicContact CG2-CZ 4.33Å
88	C	29.5	Very low	33	Very low	110 Å²	110	140.8 Å²	140.8	74%	0.743	79%	0.792	S	S	*	*				178.5	130.8	110.5	-98.2	0	0	0	0	117.7
89	V	29.3	Very low	32.8	Very low	140 Å²	140	139.9 Å²	139.9	85%	0.848	79%	0.792	S	S	*	*			trans	57.3	151.8	134.9	-171.7	0	0	0	0	121.1
90	M	33	Very low	32.1	Very low	176 Å²	176	135.3 Å²	135.3	87%	0.867	78%	0.784	S	S	*	*			trans	-113.9	-176.7	-166.3	-43.8	-173.5	-55.7	0	0	114.8
91	A	35.5	Very low	31.5	Very low	85 Å²	85	137.7 Å²	137.7	70%	0.702	79%	0.793	S	S	*	*			trans	94	142.6	153.9	0	0	0	0	0	118.9
92	L	29.3	Very low	30.6	Very low	139 Å²	139	133.1 Å²	133.1	73%	0.728	79%	0.792	S	S	*	*			cis	-162.7	157.5	-15.5	-106.8	176.4	0	0	0	109.6
93	E	29.1	Very low	30.3	Very low	177 Å²	177	134.6 Å²	134.6	83%	0.827	80%	0.8	S	S	*	*			trans	56.9	143.9	150.8	-73.6	153.4	-152.2	0	0	122.4
94	G	28.9	Very low	30.1	Very low	78 Å²	78	136.5 Å²	136.5	80%	0.804	80%	0.804	S	S	*	*			trans	143	96.3	169.2	0	0	0	0	0	113.8
95	E	29.3	Very low	30.5	Very low	187 Å²	187	137.8 Å²	137.8	87%	0.874	81%	0.805	S	S	*	*			trans	-107.8	150.7	-172.8	-61.6	175.7	166.5	0	0	113.4
96	E	30.5	Very low	30.7	Very low	197 Å²	197	140.9 Å²	140.9	92%	0.921	81%	0.812	S	S	*	*			trans	151.4	150.7	135.1	-81.4	-168.2	170.9	0	0	112.9
97	E	29	Very low	30.2	Very low	201 Å²	201	140 Å²	140	94%	0.939	81%	0.813	S	S	*	*			trans	-98.8	155.3	-170.3	-62.4	-169.5	125.2	0	0	114.4
98	G	28.9	Very low	30.3	Very low	78 Å²	78	139.1 Å²	139.1	80%	0.804	82%	0.821	S	S	*	*			trans	-151.3	115.5	175.9	0	0	0	0	0	113.4
99	V	28	Very low	30.2	Very low	138 Å²	138	142.2 Å²	142.2	84%	0.836	83%	0.829	S	S	*	*			trans	-83.9	123.9	-163.6	173.4	0	0	0	0	114.9
100	A	27.5	Very low	30.1	Very low	82 Å²	82	142.6 Å²	142.6	68%	0.678	83%	0.826	S	S	*	*			trans	50.9	136	143.1	0	0	0	0	0	124.3
101	M	27.7	Very low	30.6	Very low	190 Å²	190	138.6 Å²	138.6	94%	0.936	81%	0.814	S	S	*	*			trans	63.2	123.8	142.5	-64.5	-73.3	-80.8	0	0	120.9
102	G	27.4	Very low	30.3	Very low	75 Å²	75	142 Å²	142	77%	0.773	82%	0.815	S	S	*	*			trans	179.1	134.9	164.1	0	0	0	0	0	112.3
103	D	27.9	Very low	30.4	Very low	165 Å²	165	142 Å²	142	88%	0.882	81%	0.812	S	S	*	*			trans	-78.8	163.5	-172.6	-61	-89.4	0	0	0	115.3
104	I	30.5	Very low	30.4	Very low	155 Å²	155	140.6 Å²	140.6	80%	0.795	81%	0.805	S	S	*	*			trans	-76.2	147.7	169.8	-25.4	178.2	0	0	0	109.5
105	P	39.4	Very low	30.4	Very low	121 Å²	121	142.8 Å²	142.8	79%	0.786	80%	0.798	S	S	*	*				-138.7	169.8	103.6	36.5	-24	0	0	0	114.1
106	E	35.5	Very low	30.6	Very low	186 Å²	186	140 Å²	140	87%	0.869	79%	0.79	S	S	*	*			trans	-71.7	146	178	-55.1	177.4	124	0	0	112.4
107	D	28.2	Very low	30.8	Very low	173 Å²	173	136.5 Å²	136.5	93%	0.925	78%	0.777	S	S	*	*				-157.5	144.8	129.7	-116.8	-33.4	0	0	0	108.9
108	G	30.9	Very low	31.2	Very low	68 Å²	68	134 Å²	134	70%	0.701	77%	0.765	S	S	*	*			trans	-103.2	154.1	-171.8	0	0	0	0	0	114.2
109	L	28.4	Very low	31.4	Very low	176 Å²	176	137.7 Å²	137.7	92%	0.921	77%	0.766	S	S	*	*			trans	-161.3	109.3	164.3	-102.9	171	0	0	0	111.4
110	D	28.1	Very low	31.7	Very low	147 Å²	147	134.9 Å²	134.9	79%	0.786	77%	0.765	S	S	*	*			trans	-78.9	164.1	145	-95.7	-54.9	0	0	0	108.1
111	P	42.8	Very low	31.9	Very low	93 Å²	93	137 Å²	137	60%	0.604	77%	0.774	S	S	*	*			cis	-146.5	-166.2	26.6	46.3	-27.3	0	0	0	116.1
112	E	28.3	Very low	32.3	Very low	157 Å²	157	131.1 Å²	131.1	73%	0.734	76%	0.762	S	S	*	*			trans	69.5	145.7	156.5	-65.7	-179	135.7	0	0	117.6
113	Q	31.2	Very low	32.6	Very low	139 Å²	139	135 Å²	135	65%	0.65	77%	0.765	S	S	*	*			cis	-158.8	157.9	-1.6	-120	165.2	29.9	0	0	110.3
114	Q	29.9	Very low	32.8	Very low	146 Å²	146	137 Å²	137	68%	0.682	76%	0.762	S	S	*	*			trans	23.2	145.2	137.8	-66.4	-172.4	-106	0	0	121.1
115	D	29.3	Very low	33.1	Very low	124 Å²	124	137.7 Å²	137.7	66%	0.663	77%	0.766	S	S	*	*			cis	-164.3	176.4	3.5	-93.3	-16.8	0	0	0	107.4
116	D	32.9	Very low	32.8	Very low	130 Å²	130	139.3 Å²	139.3	70%	0.695	77%	0.765	S	S	*	*			cis	-153.9	-172.8	4.3	-150.9	-23.5	0	0	0	109.3
117	D	33.8	Very low	32.7	Very low	122 Å²	122	137.6 Å²	137.6	65%	0.652	76%	0.76	S	S	*	*			trans	69.5	140.7	146.5	-90.9	-25.8	0	0	0	120.5
118	Q	39.4	Very low	32.9	Very low	148 Å²	148	134.7 Å²	134.7	69%	0.692	75%	0.754	S	S	*	*			cis	-161.6	147.1	-3.3	-165.4	161.9	88.3	0	0	112.4
119	D	32.9	Very low	33	Very low	156 Å²	156	138.7 Å²	138.7	83%	0.834	76%	0.758	S	S	*	*			trans	53.4	131.6	158.8	-88.3	-36.7	0	0	0	123.4
120	G	32.8	Very low	33.7	Very low	79 Å²	79	136.1 Å²	136.1	81%	0.814	75%	0.746	S	S	*	*			trans	172.2	45.8	171	0	0	0	0	0	118
121	C	33	Very low	34.4	Very low	126 Å²	126	139.1 Å²	139.1	85%	0.851	76%	0.755	S	S	*	*			trans	-63.7	151.3	-168.4	64.5	0	0	0	0	117.3
122	G	35.3	Very low	34.7	Very low	67 Å²	67	138.6 Å²	138.6	69%	0.691	76%	0.759	S	S	*	*			trans	173.4	50.7	177.5	0	0	0	0	0	117
123	D	33.1	Very low	35.6	Very low	157 Å²	157	134.5 Å²	134.5	84%	0.84	76%	0.758	S	S	*	*			trans	-61.8	142.2	-166.3	-52.4	-63	0	0	0	116.5
124	Y	33.4	Very low	35.9	Very low	206 Å²	206	136.6 Å²	136.6	81%	0.808	77%	0.765	S	S	*	*			trans	-108.3	113.4	170.8	-110.4	-101.2	0	0	0	110.2	M126	Y124-M126 HydrophobicContact CD1-SD 4.23Å; Y124-M126 PolarHBondContact O-N 3.23Å
125	L	35.8	Very low	36	Very low	171 Å²	171	138.5 Å²	138.5	90%	0.895	78%	0.776	S	S	*	*			trans	-79.9	100.9	167.2	-72.6	176.8	0	0	0	110
126	M	33.8	Very low	36.1	Very low	154 Å²	154	139.3 Å²	139.3	76%	0.759	79%	0.786	S	S	*	*			trans	-86.3	120.1	173.8	-66.8	-72.1	-76.8	0	0	109.8	Y124	Y124-M126 HydrophobicContact CD1-SD 4.23Å; Y124-M126 PolarHBondContact O-N 3.23Å
127	I	33.3	Very low	36.2	Very low	150 Å²	150	138.2 Å²	138.2	77%	0.769	79%	0.788	S	S	*	*			trans	-103.8	109	172	-57.2	177	0	0	0	108.3	L129	I127-L129 HydrophobicContact CG2-CD2 4.49Å
128	S	32.7	Very low	36.2	Very low	113 Å²	113	140.8 Å²	140.8	79%	0.79	80%	0.796	S	S	*	*			trans	-82.3	147.7	168.3	-64.7	0	0	0	0	110.3
129	L	33.7	Very low	35.8	Very low	151 Å²	151	141.3 Å²	141.3	79%	0.791	80%	0.804	S	S	*	*			trans	-132.4	141	174.2	-68	173.9	0	0	0	109.3	I127	I127-L129 HydrophobicContact CG2-CD2 4.49Å
130	D	41.2	Very low	35.6	Very low	123 Å²	123	137.6 Å²	137.6	66%	0.658	80%	0.802	S	S	*	*			trans	-106.4	174.9	175.6	72.1	-35.6	0	0	0	112.1	A132	D130-A132 PolarHBondContact O-N 3.36Å
131	E	44.7	Very low	35.4	Very low	209 Å²	209	141 Å²	141	98%	0.977	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	6.7	-156.6	-148.1	168.9	160.6	0	0	115.1
132	A	48.4	Very low	35.1	Very low	83 Å²	83	143.2 Å²	143.2	69%	0.686	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	-5.3	-176.1	0	0	0	0	0	115.5	D130 K134	D130-A132 PolarHBondContact O-N 3.36Å; A132-K134 PolarHBondContact O-N 2.79Å
133	G	47.5	Very low	34.7	Very low	71 Å²	71	147 Å²	147	73%	0.732	81%	0.814	S	S	*	*			trans	64.1	38.1	161.2	0	0	0	0	0	117.1
134	K	36.2	Very low	34.3	Very low	182 Å²	182	144.6 Å²	144.6	79%	0.791	81%	0.806	S	S	*	*			trans	-129.3	148.5	169	-79.1	-171.6	175.5	-177.4	0	111.5	A132	A132-K134 PolarHBondContact O-N 2.79Å
135	M	32.8	Very low	34	Very low	186 Å²	186	140.4 Å²	140.4	92%	0.916	80%	0.802	S	S	*	*			trans	-97	136.6	172.7	-57.8	177.9	-64.1	0	0	109.1
136	V	31.6	Very low	33.6	Very low	141 Å²	141	141.2 Å²	141.2	86%	0.855	80%	0.801	S	S	*	*			trans	-133.8	145.2	172.7	-179.9	0	0	0	0	107.6
137	S	35.1	Very low	33.3	Very low	108 Å²	108	137.4 Å²	137.4	76%	0.755	80%	0.8	S	S	*	*			trans	-117.7	118.6	174.3	55.1	0	0	0	0	109.9
138	E	33.8	Very low	33	Very low	175 Å²	175	134.9 Å²	134.9	82%	0.818	80%	0.802	S	S	*	*			trans	-76.4	150.7	150.3	-63.1	166.9	140.9	0	0	106.6
139	D	30.1	Very low	32.9	Very low	160 Å²	160	135.9 Å²	135.9	86%	0.856	80%	0.803	S	S	*	*			cis	-116.7	162.5	15.4	-61.2	-68	0	0	0	114.3
140	G	29.7	Very low	32.8	Very low	77 Å²	77	137.2 Å²	137.2	79%	0.794	81%	0.806	S	S	*	*			trans	-145.2	105.5	166.7	0	0	0	0	0	111.8
141	T	28.3	Very low	32.3	Very low	150 Å²	150	137.3 Å²	137.3	92%	0.92	81%	0.806	S	S	*	*			trans	-135.1	149.8	166	44.9	0	0	0	0	110.6
142	E	26.3	Very low	31.8	Very low	173 Å²	173	134.6 Å²	134.6	81%	0.808	79%	0.793	S	S	*	*			trans	-120.4	128.7	-162.1	174.3	-176.4	-158.4	0	0	111
143	V	26.6	Very low	30.9	Very low	146 Å²	146	138.2 Å²	138.2	89%	0.885	80%	0.796	S	S	*	*			trans	-144	145	164	-172.5	0	0	0	0	108.7
144	T	25.2	Very low	30	Very low	107 Å²	107	139.8 Å²	139.8	66%	0.656	79%	0.791	S	S	*	*			trans	-123.9	178.5	-170.9	49.5	0	0	0	0	112.9
145	V	28.2	Very low	29.5	Very low	119 Å²	119	138.6 Å²	138.6	72%	0.721	79%	0.788	S	S	*	*			trans	105.5	106	161.6	-174.7	0	0	0	0	118.4
146	E	27.1	Very low	29.4	Very low	188 Å²	188	136 Å²	136	88%	0.879	77%	0.772	S	S	*	*			trans	46	137.3	136.8	-57.3	176	-174.3	0	0	125.2
147	G	27.1	Very low	29.4	Very low	73 Å²	73	134.9 Å²	134.9	75%	0.753	76%	0.761	S	S	*	*				121.6	124.1	115.5	0	0	0	0	0	120.8
148	A	26.7	Very low	29.4	Very low	98 Å²	98	138.4 Å²	138.4	81%	0.81	77%	0.766	S	S	*	*			trans	58.5	144.1	163.9	0	0	0	0	0	118
149	V	30.8	Very low	29.3	Very low	133 Å²	133	137.9 Å²	137.9	81%	0.806	77%	0.768	S	S	*	*			cis	85.3	134.4	16.2	-158.4	0	0	0	0	115.6
150	E	31.9	Very low	29.2	Very low	180 Å²	180	132.7 Å²	132.7	84%	0.841	75%	0.753	S	S	*	*			trans	71.1	145.4	178.4	-73.1	168.1	-156	0	0	118.1
151	D	29.6	Very low	29.2	Very low	125 Å²	125	138.1 Å²	138.1	67%	0.668	76%	0.757	S	S	*	*			cis	-167.4	171.5	-32.3	-148.5	-1.9	0	0	0	111.3
152	Q	34.2	Very low	29	Very low	151 Å²	151	139.5 Å²	139.5	71%	0.706	75%	0.754	S	S	*	*			trans	65.5	151.1	149	-82.1	165.4	53.1	0	0	120.6
153	E	29.2	Very low	29.1	Very low	159 Å²	159	137 Å²	137	74%	0.743	75%	0.75	S	S	*	*			cis	-139.2	143.9	-1.4	-65.9	-155.7	108.6	0	0	111.3
154	V	29.2	Very low	29.2	Very low	104 Å²	104	137.5 Å²	137.5	63%	0.63	75%	0.746	S	S	*	*				62.7	126	98.7	-165.2	0	0	0	0	115.1	K156	V154-K156 HydrophobicContact CG1-CD 4.03Å; V154-K156 HydrophobicContact CG1-CG 4.03Å
155	E	25.6	Very low	29.2	Very low	158 Å²	158	139.5 Å²	139.5	74%	0.738	75%	0.746	S	S	*	*				-143.2	139.4	64.9	-77.5	-83.5	116.4	0	0	111.2
156	K	31	Very low	29.2	Very low	131 Å²	131	139.8 Å²	139.8	57%	0.57	75%	0.747	S	S	*	*				70.4	136	67.6	-67.3	-175.9	116.7	-58.1	0	113.9	V154	V154-K156 HydrophobicContact CG1-CD 4.03Å; V154-K156 HydrophobicContact CG1-CG 4.03Å
157	D	31.2	Very low	29.3	Very low	118 Å²	118	139.2 Å²	139.2	63%	0.631	74%	0.738	S	S	*	*			cis	-145.8	-169.4	-10.5	-70	-47.4	0	0	0	106.5
158	E	35.1	Very low	29.4	Very low	181 Å²	181	143.4 Å²	143.4	85%	0.846	74%	0.742	S	S	*	*			cis	-165.5	149.5	-4.7	-133.2	-176.8	-141.4	0	0	103.8
159	D	32.3	Very low	29.4	Very low	164 Å²	164	148.2 Å²	148.2	88%	0.877	75%	0.745	S	S	*	*			cis	-141.8	-136.8	-13.2	-165.8	17.6	0	0	0	106.7
160	G	28.8	Very low	29.5	Very low	51 Å²	51	149.5 Å²	149.5	53%	0.526	74%	0.739	S	S	.	*			cis	161.4	82	-1.3	0	0	0	0	0	115.5
161	Q	29.5	Very low	29.4	Very low	191 Å²	191	145.5 Å²	145.5	89%	0.893	74%	0.738	S	S	*	*			trans	-160.7	161	160	-123.7	168.1	13.4	0	0	115
162	E	24.3	Very low	29.5	Very low	180 Å²	180	145 Å²	145	84%	0.841	74%	0.735	S	S	*	*			trans	-76.5	149.1	-153.9	-59.6	164.6	111.4	0	0	116.3
163	V	27.9	Very low	29.7	Very low	121 Å²	121	143.4 Å²	143.4	73%	0.733	74%	0.74	S	S	*	*			trans	-116.4	101.2	173.4	-178	0	0	0	0	110.7	K165	V163-K165 HydrophobicContact CG1-CG 4.3Å; V163-K165 PolarHBondContact O-N 2.99Å
164	I	27.7	Very low	29.9	Very low	155 Å²	155	139 Å²	139	80%	0.795	74%	0.738	S	S	*	*			trans	-76.5	120.3	172.4	-57.9	175.8	0	0	0	109.2	V166	I164-V166 HydrophobicContact CG2-CG2 4.38Å
165	K	26.4	Very low	30.3	Very low	150 Å²	150	142.4 Å²	142.4	65%	0.652	75%	0.747	S	S	*	*			trans	-105.6	129.1	174.6	-65.8	178.6	-179.1	173.9	0	110.4	V163 Y167	V163-K165 HydrophobicContact CG1-CG 4.3Å; V163-K165 PolarHBondContact O-N 2.99Å; K165-Y167 HydrophobicContact CB-CE2 4.1Å
166	V	28.1	Very low	30.8	Very low	125 Å²	125	142.7 Å²	142.7	76%	0.758	75%	0.753	S	S	*	*			trans	-130.2	131.9	169.2	-178.4	0	0	0	0	108.1	I164	I164-V166 HydrophobicContact CG2-CG2 4.38Å
167	Y	27.9	Very low	30.9	Very low	175 Å²	175	143.8 Å²	143.8	69%	0.686	77%	0.765	S	S	*	*			trans	-108.5	141.5	-178.9	-65	-95.5	0	0	0	110	K165	K165-Y167 HydrophobicContact CB-CE2 4.1Å
168	I	30.1	Very low	31.1	Very low	161 Å²	161	146.7 Å²	146.7	83%	0.826	78%	0.777	S	S	*	*			trans	-133.7	125	170.7	-59.1	180	0	0	0	107.4
169	F	26.7	Very low	30.8	Very low	200 Å²	200	141.6 Å²	141.6	88%	0.877	77%	0.774	S	S	*	*			trans	-81.5	156.6	176.6	-71.3	-89	0	0	0	111.4
170	K	32.3	Very low	30.4	Very low	159 Å²	159	143.3 Å²	143.3	69%	0.691	78%	0.776	S	S	*	*			trans	-121.9	138.6	-179.9	-170.1	175	-178.2	-71.2	0	108.9	D172	K170-D172 IonicContact NZ-OD1 2.75Å; K170-D172 PolarHBondContact NZ-OD1 3.02Å; K170-D172 IonicContact NZ-OD2 2.62Å; K170-D172 PolarHBondContact NZ-OD2 2.93Å
171	A	30.8	Very low	30.4	Very low	97 Å²	97	145.8 Å²	145.8	80%	0.802	79%	0.786	S	S	*	*			trans	-111.3	145	169.5	0	0	0	0	0	109
172	D	32.3	Very low	30.3	Very low	114 Å²	114	143.1 Å²	143.1	61%	0.61	78%	0.782	S	S	*	*			trans	-144.1	165.1	-176.6	-77.2	-48.5	0	0	0	109.6	K170	K170-D172 IonicContact NZ-OD1 2.75Å; K170-D172 PolarHBondContact NZ-OD1 3.02Å; K170-D172 IonicContact NZ-OD2 2.62Å; K170-D172 PolarHBondContact NZ-OD2 2.93Å
173	S	37.5	Very low	30.3	Very low	118 Å²	118	141.2 Å²	141.2	83%	0.825	78%	0.778	S	S	*	*			trans	63.1	147.6	-178	60.4	0	0	0	0	116
174	G	32.8	Very low	30.3	Very low	67 Å²	67	142.9 Å²	142.9	69%	0.691	78%	0.781	S	S	*	*			cis	-143.2	-148.4	-4.7	0	0	0	0	0	109.4
175	E	37.6	Very low	30.3	Very low	175 Å²	175	139.6 Å²	139.6	82%	0.818	77%	0.772	S	S	*	*			cis	-169.3	174.9	-23.1	-112.6	143.1	-104.6	0	0	108.2
176	D	36.8	Very low	30.4	Very low	163 Å²	163	140.2 Å²	140.2	87%	0.872	78%	0.782	S	S	*	*			trans	-84.8	148.4	-168.8	-55	-77.3	0	0	0	115.5
177	D	32	Very low	30.4	Very low	154 Å²	154	137.5 Å²	137.5	82%	0.824	78%	0.779	S	S	*	*				169.9	-178.4	108.8	-150.3	-15	0	0	0	111.5
178	M	36.5	Very low	30.3	Very low	180 Å²	180	136.9 Å²	136.9	89%	0.887	79%	0.788	S	S	*	*			trans	-91.5	147.9	-173.9	-46.9	-176.7	-149	0	0	114.2
179	G	28.8	Very low	30.3	Very low	74 Å²	74	133.6 Å²	133.6	76%	0.763	79%	0.785	S	S	*	*			trans	165.3	110.8	158.6	0	0	0	0	0	117.2
180	E	24.1	Very low	30.4	Very low	200 Å²	200	132.3 Å²	132.3	94%	0.935	78%	0.781	S	S	*	*			trans	42.5	154.6	140	-149.5	154.1	-166.1	0	0	122.7
181	S	27.9	Very low	30.3	Very low	103 Å²	103	129.5 Å²	129.5	72%	0.72	78%	0.782	S	S	*	*			trans	-96.4	150.9	-170.6	55.8	0	0	0	0	114.9
182	V	27.2	Very low	30.1	Very low	134 Å²	134	130.8 Å²	130.8	81%	0.812	78%	0.779	S	S	*	*				-178.8	146.2	125.7	142.7	0	0	0	0	110.7
183	D	24.7	Very low	29.8	Very low	141 Å²	141	129.4 Å²	129.4	75%	0.754	78%	0.784	S	S	*	*			trans	-75.4	162.4	177.9	-48.1	-94.6	0	0	0	114.2
184	I	28.2	Very low	29.2	Very low	156 Å²	156	131.5 Å²	131.5	80%	0.8	79%	0.785	S	S	*	*				162.8	116.5	126	-83.9	161.7	0	0	0	114.4
185	S	27.3	Very low	29	Very low	86 Å²	86	134.1 Å²	134.1	60%	0.601	79%	0.787	S	S	*	*			trans	51.9	131.8	141.6	81.2	0	0	0	0	126.2
186	D	28.1	Very low	28.6	Very low	163 Å²	163	133.4 Å²	133.4	87%	0.872	78%	0.784	S	S	*	*				74.2	149.8	128.7	-56.6	-4.7	0	0	0	124
187	G	29.5	Very low	28.4	Very low	68 Å²	68	129.7 Å²	129.7	70%	0.701	77%	0.771	S	S	*	*			trans	106.1	80.9	169.3	0	0	0	0	0	115.2
188	D	25.7	Very low	28.2	Very low	161 Å²	161	128.9 Å²	128.9	86%	0.861	77%	0.772	S	S	*	*				68.5	114.9	75.5	-77.1	-37.8	0	0	0	118.2
189	A	30.3	Very low	27.8	Very low	92 Å²	92	123.8 Å²	123.8	76%	0.76	77%	0.765	S	S	*	*			trans	71.8	155.3	132.4	0	0	0	0	0	120.4
190	E	28.4	Very low	27.7	Very low	173 Å²	173	129.8 Å²	129.8	81%	0.808	77%	0.774	S	S	*	*			cis	-162.3	156.5	-2.4	-140.5	-174.3	159.2	0	0	113.8
191	S	29	Very low	27.9	Very low	100 Å²	100	126.6 Å²	126.6	70%	0.699	77%	0.768	S	S	*	*			trans	64.4	170.1	147.7	76	0	0	0	0	119.5
192	V	26.7	Very low	27.8	Very low	124 Å²	124	130 Å²	130	75%	0.752	78%	0.778	S	S	*	*			cis	-143.4	139.5	1.3	-146.7	0	0	0	0	105.5
193	A	25.8	Very low	27.8	Very low	85 Å²	85	135.3 Å²	135.3	70%	0.702	78%	0.783	S	S	*	*			cis	64.2	140.7	48.9	0	0	0	0	0	114.2
194	L	26.2	Very low	28.1	Very low	162 Å²	162	137.4 Å²	137.4	85%	0.848	79%	0.788	S	S	*	*			cis	-118.4	-157.8	6	-69.1	147	0	0	0	109.7
195	T	27.6	Very low	28	Very low	122 Å²	122	139.7 Å²	139.7	75%	0.748	79%	0.792	S	S	*	*			cis	-136.7	178.5	9.6	62.4	0	0	0	0	109.4
196	E	28.9	Very low	27.9	Very low	160 Å²	160	142.9 Å²	142.9	75%	0.748	80%	0.799	S	S	*	*			cis	72.1	141.8	26.7	-81.8	-143.8	66.3	0	0	117.1
197	S	32.8	Very low	27.7	Very low	85 Å²	85	141.3 Å²	141.3	59%	0.594	80%	0.795	S	S	*	*			cis	-173.7	179	-16.9	56.3	0	0	0	0	109.6
198	T	28.9	Very low	27.5	Very low	137 Å²	137	147.6 Å²	147.6	84%	0.84	80%	0.8	S	S	*	*			cis	-155	154.9	1.5	-23.5	0	0	0	0	112.2
199	G	27.9	Very low	27.6	Very low	73 Å²	73	148.3 Å²	148.3	75%	0.753	80%	0.8	S	S	*	*			trans	93.4	144.9	156.5	0	0	0	0	0	117.6
200	Q	26.9	Very low	27.5	Very low	200 Å²	200	149.7 Å²	149.7	94%	0.935	80%	0.804	S	S	*	*			cis	-130.4	-179	1	-85.5	-171.9	-17.8	0	0	112.4
201	T	26.9	Very low	27.5	Very low	134 Å²	134	148 Å²	148	82%	0.822	81%	0.805	S	S	*	*			trans	-108.7	149.9	-152.2	58.1	0	0	0	0	117.4
202	L	26.1	Very low	27.4	Very low	175 Å²	175	146.7 Å²	146.7	92%	0.916	81%	0.807	S	S	*	*			trans	-140.9	159.3	138.7	-109.9	167.5	0	0	0	110.1
203	R	28	Very low	27.4	Very low	244 Å²	244	148 Å²	148	92%	0.921	81%	0.81	S	S	*	*			trans	-93.5	117.1	-163.1	-80.5	179.3	167.6	169.1	-4.5	114.2
204	E	30.1	Very low	27.6	Very low	185 Å²	185	149.8 Å²	149.8	86%	0.864	82%	0.817	S	S	*	*			trans	-96.7	158.6	159.6	-60.9	-171.4	140.8	0	0	111.4
205	K	27.2	Very low	27.8	Very low	204 Å²	204	150 Å²	150	89%	0.887	81%	0.814	S	S	*	*			trans	-123.8	100.5	176	-79.2	-172.5	175.6	-177.7	0	110.8
206	M	25.5	Very low	28.2	Very low	153 Å²	153	152.3 Å²	152.3	75%	0.754	82%	0.816	S	S	*	*			trans	-74.9	142.3	163.1	-66.1	-173.5	-76.2	0	0	110.5	Y208	M206-Y208 HydrophobicContact CB-CD2 4.46Å; M206-Y208 HydrophobicContact CB-CE2 4.28Å; M206-Y208 HydrophobicContact SD-CE2 3.88Å
207	V	24.3	Very low	28	Very low	130 Å²	130	151 Å²	151	79%	0.788	81%	0.814	S	S	*	*			trans	-135.1	113	163.3	178.3	0	0	0	0	107.3
208	Y	25.2	Very low	27.8	Very low	201 Å²	201	155.8 Å²	155.8	79%	0.788	83%	0.827	S	S	*	*			trans	-96.7	135.6	169.7	-74.6	-94.8	0	0	0	109.2	M206	M206-Y208 HydrophobicContact CB-CD2 4.46Å; M206-Y208 HydrophobicContact CB-CE2 4.28Å; M206-Y208 HydrophobicContact SD-CE2 3.88Å
209	M	26.8	Very low	27.7	Very low	175 Å²	175	152.7 Å²	152.7	86%	0.862	82%	0.823	S	S	*	*			trans	-136.7	102.6	158.7	-74.1	-167.9	71	0	0	108.4
210	S	28.3	Very low	27.8	Very low	121 Å²	121	155.6 Å²	155.6	85%	0.846	82%	0.821	S	S	*	*			trans	-72.7	140.9	166.5	42.5	0	0	0	0	109.8
211	V	29.2	Very low	27.8	Very low	137 Å²	137	154.3 Å²	154.3	83%	0.83	82%	0.815	S	S	*	*			trans	-108.6	119.1	168.4	-174.9	0	0	0	0	106.8
212	G	25.8	Very low	27.6	Very low	73 Å²	73	151.2 Å²	151.2	75%	0.753	81%	0.809	S	S	*	*			trans	-101.7	121.7	174.7	0	0	0	0	0	110.7
213	D	26.8	Very low	27.6	Very low	151 Å²	151	152.4 Å²	152.4	81%	0.807	81%	0.81	S	S	*	*			trans	-77.1	139.6	164	-74.4	-60	0	0	0	110.4
214	S	30.1	Very low	27.5	Very low	123 Å²	123	146.3 Å²	146.3	86%	0.86	81%	0.805	S	S	*	*			trans	-169.8	150.6	134.5	-86.8	0	0	0	0	113
215	H	31.6	Very low	27.2	Very low	168 Å²	168	148 Å²	148	78%	0.778	81%	0.805	S	S	*	*			trans	-96.7	176.5	177.8	-94.5	-120.2	0	0	0	111.8
216	H	34.3	Very low	27.1	Very low	169 Å²	169	141.9 Å²	141.9	78%	0.782	80%	0.799	S	S	*	*			trans	73.1	151.8	157	-82.7	111.4	0	0	0	116.2
217	N	26.3	Very low	27.1	Very low	134 Å²	134	139.1 Å²	139.1	72%	0.717	80%	0.795	S	S	*	*			cis	-150.5	170.1	-4.9	-166	9.8	0	0	0	110.3
218	Q	28.7	Very low	27.1	Very low	184 Å²	184	138.8 Å²	138.8	86%	0.86	79%	0.793	S	S	*	*			trans	132.6	138.6	135.6	-68.9	-170.2	25.8	0	0	114.9
219	G	26.7	Very low	27.1	Very low	73 Å²	73	137.6 Å²	137.6	75%	0.753	80%	0.795	S	S	*	*			trans	-163.8	157.5	158.6	0	0	0	0	0	108.2
220	N	28.5	Very low	27	Very low	133 Å²	133	137 Å²	137	71%	0.711	79%	0.794	S	S	*	*			trans	-166	155.6	162.2	-149.4	-7.9	0	0	0	112.9
221	H	27.7	Very low	27	Very low	174 Å²	174	138.5 Å²	138.5	81%	0.806	79%	0.788	S	S	*	*			trans	58.4	158.2	167.5	-59.7	-57.5	0	0	0	117.9
222	G	23.3	Very low	27.6	Very low	69 Å²	69	136.2 Å²	136.2	71%	0.711	78%	0.776	S	S	*	*			cis	-153.9	-169.7	2.9	0	0	0	0	0	113.2
223	E	26.1	Very low	27.5	Very low	199 Å²	199	142.2 Å²	142.2	93%	0.93	78%	0.776	S	S	*	*			trans	-96.1	164.4	-166.3	-57.4	167.4	107.4	0	0	114.5
224	S	26	Very low	27.6	Very low	116 Å²	116	144.7 Å²	144.7	81%	0.811	78%	0.78	S	S	*	*			trans	133.6	115.7	133.4	-161.6	0	0	0	0	117.6
225	Y	23.2	Very low	27.4	Very low	222 Å²	222	145.7 Å²	145.7	87%	0.871	77%	0.771	S	S	*	*			trans	42.9	123.5	132.2	-139.3	-93.2	0	0	0	122.4
226	G	24.3	Very low	27	Very low	74 Å²	74	146.3 Å²	146.3	76%	0.763	77%	0.767	S	S	*	*			trans	-178.7	138	164.5	0	0	0	0	0	112.6
227	S	25.8	Very low	26.7	Very low	95 Å²	95	143.7 Å²	143.7	66%	0.664	77%	0.768	S	S	*	*			trans	-129.3	178.6	-168.6	-59.5	0	0	0	0	113.8
228	T	25	Very low	26.7	Very low	123 Å²	123	140.7 Å²	140.7	76%	0.755	76%	0.758	S	S	*	*			trans	70.3	116.9	176.4	59.5	0	0	0	0	114.9
229	E	24.2	Very low	26.6	Very low	177 Å²	177	141.2 Å²	141.2	83%	0.827	76%	0.757	S	S	*	*				83.9	111	53.4	-75.6	-167.7	131.6	0	0	114.3
230	L	25	Very low	26.6	Very low	162 Å²	162	143.4 Å²	143.4	85%	0.848	76%	0.756	S	S	*	*			trans	152.4	91.2	136.7	-81.3	159.8	0	0	0	112.6
231	E	27.8	Very low	26.3	Very low	153 Å²	153	148.3 Å²	148.3	72%	0.715	77%	0.765	S	S	*	*				47.6	154.4	106.7	-68.8	-63.3	86.7	0	0	121
232	P	42.2	Very low	26.2	Very low	89 Å²	89	148.5 Å²	148.5	58%	0.578	77%	0.766	S	S	*	*			cis	-157.5	-176.2	-24.7	43.6	-24.3	0	0	0	120.2
233	W	25	Very low	26.5	Very low	199 Å²	199	153.5 Å²	153.5	75%	0.754	77%	0.768	S	S	*	*			trans	55.3	124.8	159.4	-61.1	94.5	0	0	0	122
234	K	27.6	Very low	26.5	Very low	202 Å²	202	150.4 Å²	150.4	88%	0.878	76%	0.763	S	S	*	*				-164.3	121.6	106.1	-105.6	167.7	-172.6	175.7	0	114.8
235	H	27	Very low	26.6	Very low	145 Å²	145	154.3 Å²	154.3	67%	0.671	77%	0.765	S	S	*	*			trans	19.2	133.8	158.8	-80.7	-111.4	0	0	0	121.9
236	Y	23.1	Very low	26.7	Very low	180 Å²	180	150.5 Å²	150.5	71%	0.706	77%	0.765	S	S	*	*			cis	81.5	115.7	28.8	-166.6	-82.3	0	0	0	116.6
237	S	28.2	Very low	26.8	Very low	114 Å²	114	150.3 Å²	150.3	80%	0.797	76%	0.764	S	S	*	*			trans	-149.7	145.2	140.8	76.7	0	0	0	0	111.5
238	S	26.2	Very low	26.7	Very low	72 Å²	72	156.8 Å²	156.8	50%	0.503	78%	0.775	S	S	.	*			trans	-164.1	134.7	171.3	179.6	0	0	0	0	109.3
239	F	25	Very low	26.6	Very low	194 Å²	194	157.4 Å²	157.4	85%	0.851	78%	0.783	S	S	*	*			trans	-145.4	127.5	172.9	-89.5	-95.5	0	0	0	106.8
240	V	27.9	Very low	26.6	Very low	120 Å²	120	153.3 Å²	153.3	73%	0.727	78%	0.779	S	S	*	*			cis	77.8	124.1	33.7	-171.8	0	0	0	0	113.4
241	W	21.5	Very low	26.6	Very low	236 Å²	236	156 Å²	156	89%	0.894	78%	0.784	S	S	*	*			trans	-142.1	113.4	-179.4	-131.6	94.6	0	0	0	110.1
242	Q	25.6	Very low	26.5	Very low	177 Å²	177	152.2 Å²	152.2	83%	0.827	78%	0.78	S	S	*	*			trans	-174.5	118.1	151.2	-111.9	177.8	66	0	0	115.5
243	K	29.6	Very low	25.6	Very low	175 Å²	175	156.6 Å²	156.6	76%	0.761	80%	0.795	S	S	*	*			trans	58.6	153.1	138.6	-84.5	-174.8	173.9	178.5	0	124.1
244	T	27.1	Very low	25.6	Very low	133 Å²	133	151.4 Å²	151.4	82%	0.816	79%	0.788	S	S	*	*			trans	79.4	149.7	173.4	77.3	0	0	0	0	115
245	K	26.7	Very low	25.5	Very low	199 Å²	199	150 Å²	150	87%	0.865	79%	0.785	S	S	*	*			cis	-148.8	165.8	16.9	-152.7	171.3	-175	179.2	0	112.4
246	T	27	Very low	25.2	Very low	141 Å²	141	147.3 Å²	147.3	87%	0.865	78%	0.783	S	S	*	*			trans	-86.3	155.5	178.4	37.7	0	0	0	0	113.9
247	G	24.9	Very low	25.3	Very low	71 Å²	71	144.3 Å²	144.3	73%	0.732	78%	0.782	S	S	*	*			trans	179.2	96.2	170.7	0	0	0	0	0	116.5
248	Y	23.7	Very low	25.2	Very low	230 Å²	230	146.5 Å²	146.5	90%	0.902	78%	0.78	S	S	*	*			trans	40.2	123.7	153.9	-81.4	-93.1	0	0	0	122.7
249	C	23.9	Very low	25.2	Very low	136 Å²	136	149.6 Å²	149.6	92%	0.919	79%	0.791	S	S	*	*			trans	-134.3	144.6	143.6	-74	0	0	0	0	109.7
250	A	24	Very low	25.3	Very low	91 Å²	91	144.1 Å²	144.1	75%	0.752	78%	0.777	S	S	*	*			trans	-159.8	97.9	171.4	0	0	0	0	0	112.4
251	F	23.9	Very low	25.2	Very low	218 Å²	218	147.7 Å²	147.7	96%	0.956	79%	0.786	S	S	*	*			trans	-156.8	166.3	144.3	-137.7	-100.8	0	0	0	109.2
252	A	26.3	Very low	25.5	Very low	75 Å²	75	139.5 Å²	139.5	62%	0.62	78%	0.775	S	S	*	*			trans	-132.9	162.6	-161.6	0	0	0	0	0	113.9
253	M	24.1	Very low	25.4	Very low	181 Å²	181	136.9 Å²	136.9	89%	0.892	77%	0.774	S	S	*	*			trans	57.6	125.9	158.4	-60.8	-74.2	-163.7	0	0	116.2
254	S	25.3	Very low	25.3	Very low	89 Å²	89	136 Å²	136	62%	0.622	77%	0.773	S	S	*	*				172.7	172.7	56.7	41.7	0	0	0	0	109.9
255	H	23.8	Very low	25.3	Very low	172 Å²	172	134.8 Å²	134.8	80%	0.796	76%	0.761	S	S	*	*			trans	66.9	154.4	163.8	-73	-65.6	0	0	0	118.1
256	S	21.4	Very low	25.5	Very low	90 Å²	90	135.1 Å²	135.1	63%	0.629	76%	0.757	S	S	*	*			cis	-174.7	145.4	-31.4	-113	0	0	0	0	111.3
257	V	26.2	Very low	25.6	Very low	116 Å²	116	135.7 Å²	135.7	70%	0.703	76%	0.755	S	S	*	*			trans	57.9	162.5	160.6	-115.7	0	0	0	0	121.4
258	E	25.8	Very low	25.7	Very low	160 Å²	160	136.2 Å²	136.2	75%	0.748	76%	0.76	S	S	*	*			trans	70.4	144.1	150.7	-77.2	148.9	-129.7	0	0	117.7
259	D	25.3	Very low	26	Very low	138 Å²	138	130 Å²	130	74%	0.738	76%	0.757	S	S	*	*			cis	154	168.7	-9	-107.7	42.1	0	0	0	103.9
260	S	26.7	Very low	26.1	Very low	78 Å²	78	128 Å²	128	55%	0.545	75%	0.75	S	S	.	*			cis	-164.3	151.9	-21.3	-105.2	0	0	0	0	109.6
261	E	26.9	Very low	26.4	Very low	196 Å²	196	129.1 Å²	129.1	92%	0.916	75%	0.752	S	S	*	*			trans	55.6	169	141.7	-59.6	-174.1	141	0	0	124
262	G	27.4	Very low	26.7	Very low	64 Å²	64	122.7 Å²	122.7	66%	0.66	74%	0.739	S	S	*	*			trans	109.7	88	173.6	0	0	0	0	0	114.2
263	C	23.9	Very low	26.9	Very low	122 Å²	122	126.4 Å²	126.4	82%	0.824	75%	0.748	S	S	*	*				68.6	141.1	74.7	100.6	0	0	0	0	114.1
264	E	26.9	Very low	27.2	Very low	157 Å²	157	123 Å²	123	73%	0.734	73%	0.733	S	S	*	*			cis	-164.9	179.9	3.1	-141.2	-178.7	-174.8	0	0	113
265	N	26.5	Very low	27.5	Very low	106 Å²	106	125.8 Å²	125.8	57%	0.567	74%	0.736	S	S	*	*			trans	77.8	93.4	152.8	-76	-51.6	0	0	0	123.3
266	R	31.5	Very low	27.8	Very low	207 Å²	207	123.7 Å²	123.7	78%	0.781	73%	0.729	S	S	*	*				78.9	136.2	103.9	-90.2	-172.5	168.7	159.7	-5.3	123.9
267	N	28.7	Very low	28.2	Very low	152 Å²	152	125.7 Å²	125.7	81%	0.813	73%	0.733	S	S	*	*			trans	84.1	143	146.3	-59	-11.2	0	0	0	120.2
268	G	28	Very low	28.4	Very low	82 Å²	82	129 Å²	129	85%	0.845	74%	0.74	S	S	*	*			trans	128.8	124.1	164.8	0	0	0	0	0	113.6
269	A	29.8	Very low	28.9	Very low	101 Å²	101	126 Å²	126	84%	0.835	74%	0.737	S	S	*	*			trans	-141	147.9	177.6	0	0	0	0	0	112.8
270	A	26	Very low	29.3	Very low	93 Å²	93	127.4 Å²	127.4	77%	0.769	75%	0.745	S	S	*	*			trans	72.7	145.6	158.4	0	0	0	0	0	121.4
271	S	29.5	Very low	29.3	Very low	115 Å²	115	127.2 Å²	127.2	80%	0.804	76%	0.755	S	S	*	*			trans	81.3	100.3	146.4	-61.3	0	0	0	0	122.6
272	A	31.1	Very low	29.4	Very low	82 Å²	82	123.9 Å²	123.9	68%	0.678	75%	0.748	S	S	*	*				75.7	125.6	109.8	0	0	0	0	0	123.2
273	L	30	Very low	29.6	Very low	153 Å²	153	127.6 Å²	127.6	80%	0.801	75%	0.752	S	S	*	*			trans	-152.3	123.3	134.6	-91.1	132.3	0	0	0	104.8
274	L	31.1	Very low	29.8	Very low	110 Å²	110	130.4 Å²	130.4	58%	0.576	75%	0.753	S	S	*	*			cis	69.5	140.4	50	-53.6	175.5	0	0	0	112	I276	L274-I276 HydrophobicContact CD2-CD1 3.81Å
275	H	30.8	Very low	30	Very low	148 Å²	148	129.2 Å²	129.2	69%	0.685	75%	0.751	S	S	*	*			cis	-131.2	164.6	8.9	-57.7	-109.6	0	0	0	110.3
276	I	29.8	Very low	30.1	Very low	128 Å²	128	131.3 Å²	131.3	66%	0.656	76%	0.762	S	S	*	*			cis	81.4	124.3	21.6	-64.6	174.7	0	0	0	113.2	L274	L274-I276 HydrophobicContact CD2-CD1 3.81Å
277	D	31.2	Very low	30.1	Very low	132 Å²	132	131.4 Å²	131.4	71%	0.706	76%	0.762	S	S	*	*			cis	-128.3	-110.3	-5.5	-151.9	-106.9	0	0	0	113.8
278	E	29.6	Very low	30.2	Very low	184 Å²	184	133.4 Å²	133.4	86%	0.86	77%	0.767	S	S	*	*			cis	-150.4	159.4	1.8	-63	175	114	0	0	110.4
279	S	36.4	Very low	30.4	Very low	99 Å²	99	140.9 Å²	140.9	69%	0.692	77%	0.77	S	S	*	*			trans	-151.1	157.5	172.8	56.6	0	0	0	0	113.7
280	D	34.8	Very low	30.2	Very low	166 Å²	166	143.4 Å²	143.4	89%	0.888	77%	0.769	S	S	*	*			trans	69.5	140.3	169.4	-63.9	-23.4	0	0	0	121.3
281	G	26.3	Very low	30.9	Very low	74 Å²	74	148.3 Å²	148.3	76%	0.763	77%	0.773	S	S	*	*			trans	-163.4	142.8	172.2	0	0	0	0	0	108.8
282	V	29.1	Very low	30.9	Very low	126 Å²	126	149.9 Å²	149.9	76%	0.764	77%	0.772	S	S	*	*			trans	-123.9	173.2	-158.5	-166.8	0	0	0	0	111.9
283	D	30.1	Very low	31.3	Very low	142 Å²	142	155.8 Å²	155.8	76%	0.759	78%	0.783	S	S	*	*			trans	80.3	149.8	175.7	-59.1	-46.9	0	0	0	116.4
284	E	29.7	Very low	31.4	Very low	181 Å²	181	159.2 Å²	159.2	85%	0.846	79%	0.785	S	S	*	*			cis	-135.4	-173	13.1	-145.2	-171.5	138.9	0	0	114.2
285	I	31.1	Very low	31.2	Very low	132 Å²	132	164.9 Å²	164.9	68%	0.677	80%	0.799	S	S	*	*			trans	-103	133.4	-156.2	-63.5	154	0	0	0	113.1
286	N	27.7	Very low	31.1	Very low	150 Å²	150	163.4 Å²	163.4	80%	0.802	81%	0.805	S	S	*	*				-155.5	160	129	-142.6	-16	0	0	0	114.8
287	R	30.7	Very low	30.9	Very low	210 Å²	210	165.5 Å²	165.5	79%	0.792	81%	0.812	S	S	*	*			trans	-91.1	150.8	-175.8	-55.7	154.5	173.5	150	-3.7	110.6
288	Q	30.6	Very low	30.9	Very low	193 Å²	193	167.9 Å²	167.9	90%	0.902	82%	0.818	S	S	*	*				-170.1	148.8	103.4	-100.9	170.6	13.9	0	0	113.1
289	R	32.3	Very low	31	Very low	240 Å²	240	170.2 Å²	170.2	91%	0.906	82%	0.819	S	S	*	*			trans	-68.8	144.5	167.2	-76.1	172	164.4	159.5	-5.7	109.1
290	N	27.4	Very low	30.8	Very low	154 Å²	154	173.8 Å²	173.8	82%	0.824	83%	0.825	S	S	*	*				-148.1	138.6	123.7	-128.7	-22.8	0	0	0	112.8
291	K	40	Very low	30.7	Very low	196 Å²	196	171.8 Å²	171.8	85%	0.852	82%	0.818	S	S	*	*			trans	-78.1	129.5	167.9	-68.7	177	177.6	178.6	0	107
292	N	29.9	Very low	31.1	Very low	148 Å²	148	177.1 Å²	177.1	79%	0.791	82%	0.824	S	S	*	*			trans	-146.9	123.8	160.7	-114.1	-34.7	0	0	0	113.5	R294	N292-R294 PolarHBondContact O-N 2.99Å
293	K	39.3	Very low	31.5	Very low	206 Å²	206	176.1 Å²	176.1	90%	0.896	82%	0.818	S	S	*	*			trans	-88	92.9	-176.1	179	-177.4	176.7	-178.8	0	109.2
294	R	31.1	Very low	32	Very low	224 Å²	224	172.6 Å²	172.6	85%	0.845	81%	0.809	S	S	*	*			trans	-114.1	97.8	163.3	-70.8	-174.5	172.1	-167.7	-3	106.9	N292	N292-R294 PolarHBondContact O-N 2.99Å
295	R	28.1	Very low	32.9	Very low	230 Å²	230	168.8 Å²	168.8	87%	0.868	79%	0.793	S	S	*	*				61.7	110.9	77.6	-164.3	178.4	-165.1	176.5	5.6	109.6	E297	R295-E297 PolarHBondContact O-N 3.06Å
296	S	28.1	Very low	33.8	Very low	116 Å²	116	167.2 Å²	167.2	81%	0.811	79%	0.785	S	S	*	*			trans	-55.9	120	176.2	-173.6	0	0	0	0	109.8	H298	S296-H298 PolarHBondContact O-N 2.82Å
297	E	25.4	Very low	34.5	Very low	173 Å²	173	165.7 Å²	165.7	81%	0.808	78%	0.775	S	S	*	*			trans	-75.3	123	169.6	-75.1	-171.9	146.6	0	0	109.1	R295 R299	R295-E297 PolarHBondContact O-N 3.06Å; E297-R299 VanDerWaalsContact C-N 3.32Å; E297-R299 PolarHBondContact O-N 3.02Å
298	H	31.6	Very low	35.1	Very low	181 Å²	181	156.6 Å²	156.6	84%	0.838	75%	0.747	S	S	*	*			trans	-71.2	90.4	179.7	-144.8	-117.1	0	0	0	108.4	S296 Q300	S296-H298 PolarHBondContact O-N 2.82Å; H298-Q300 VanDerWaalsContact C-N 3.32Å; H298-Q300 PolarHBondContact O-N 3.14Å
299	R	32.2	Very low	35.7	Very low	234 Å²	234	153.5 Å²	153.5	88%	0.883	74%	0.744	S	S	*	*			trans	-62.6	92.8	-178.7	-166.8	177.5	-169.8	178.1	4.6	109	E297 V301	E297-R299 VanDerWaalsContact C-N 3.32Å; E297-R299 PolarHBondContact O-N 3.02Å; R299-V301 PolarHBondContact O-N 2.87Å
300	Q	32.2	Very low	36.6	Very low	174 Å²	174	152.3 Å²	152.3	81%	0.813	74%	0.741	S	S	*	*			trans	-53.6	112.5	-170.7	-79.3	-179.9	-27.9	0	0	110.3	H298 Q302	H298-Q300 VanDerWaalsContact C-N 3.32Å; H298-Q300 PolarHBondContact O-N 3.14Å; Q300-Q302 PolarHBondContact O-N 3.31Å; Q300-Q302 VanDerWaalsContact O-N 3.14Å
301	V	31.6	Very low	37.7	Very low	123 Å²	123	147.7 Å²	147.7	75%	0.745	73%	0.73	S	S	*	*			trans	-78.1	99.9	175.3	-178	0	0	0	0	106.8	R299 T303	R299-V301 PolarHBondContact O-N 2.87Å; V301-T303 VanDerWaalsContact C-N 3.25Å; V301-T303 HydrophobicContact CG1-CG2 4.12Å; V301-T303 PolarHBondContact O-N 3.34Å
302	Q	34.6	Very low	37.9	Very low	187 Å²	187	145.7 Å²	145.7	87%	0.874	72%	0.724	S	S	*	*			trans	-65.6	87.8	169.7	-78.2	-176	-25.4	0	0	109.9	Q300 A304	Q300-Q302 PolarHBondContact O-N 3.31Å; Q300-Q302 VanDerWaalsContact O-N 3.14Å; Q302-A304 PolarHBondContact O-N 3.12Å
303	T	38.1	Very low	38.6	Very low	105 Å²	105	142.5 Å²	142.5	64%	0.644	71%	0.711	S	S	*	*			trans	-71.3	92.9	167.9	47.6	0	0	0	0	108.8	V301 I305	V301-T303 VanDerWaalsContact C-N 3.25Å; V301-T303 HydrophobicContact CG1-CG2 4.12Å; V301-T303 PolarHBondContact O-N 3.34Å; T303-I305 PolarHBondContact O-N 3.37Å
304	A	41.5	Very low	39.3	Very low	68 Å²	68	137.1 Å²	137.1	56%	0.562	69%	0.691	S	S	*	*			trans	-62	104.9	172.7	0	0	0	0	0	109.9	Q302	Q302-A304 PolarHBondContact O-N 3.12Å
305	I	47.4	Very low	40.7	Very low	100 Å²	100	129.9 Å²	129.9	51%	0.513	67%	0.673	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.2	124	173.9	-59.6	175.5	0	0	0	107.5	T303 I307 P313	T303-I305 PolarHBondContact O-N 3.37Å; I305-I307 HydrophobicContact CG2-CG1 4.19Å; I305-P313 HydrophobicContact CG2-CB 3.43Å; I305-P313 VanDerWaalsContact CG2-CB 3.43Å
306	I	49.5	Very low	42.4	Very low	100 Å²	100	120.9 Å²	120.9	51%	0.513	64%	0.643	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.2	114.9	171.2	-58.6	-178	0	0	0	106.8	L314 V316	I306-L314 WeakPolarHBondContact O-CB 3.44Å; I306-L314 PolarHBondContact O-N 2.9Å; I306-V316 HydrophobicContact CD1-CG2 4.21Å; I306-V316 HydrophobicContact CG1-CG2 4.44Å
307	I	43.3	Very low	44.5	Very low	117 Å²	117	119 Å²	119	60%	0.6	62%	0.619	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-81.4	131.2	-179.1	-56.5	177.2	0	0	0	108.5	I305	I305-I307 HydrophobicContact CG2-CG1 4.19Å
308	G	43	Very low	46.5	Very low	20 Å²	20	113.8 Å²	113.8	21%	0.206	60%	0.6	C	S	.	*			trans	-79	168.2	175.3	0	0	0	0	0	112.9	Y310 G311 Q312	G308-Y310 PolarHBondContact O-N 2.99Å; G308-G311 PolarHBondContact O-N 3.23Å; G308-Q312 PolarHBondContact N-O 2.89Å; G308-Q312 VanDerWaalsContact N-O 3.12Å
309	P	42.6	Very low	48.6	Very low	128 Å²	128	105.3 Å²	105.3	83%	0.831	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-5.7	-178.5	26.8	-35.7	0	0	0	115
310	Y	52.6	Low	50.3	Low	214 Å²	214	102.6 Å²	102.6	84%	0.839	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.5	28.8	175	-55.9	-67	0	0	0	112.6	G308 Q312	G308-Y310 PolarHBondContact O-N 2.99Å; Y310-Q312 PolarHBondContact O-N 3.22Å
311	G	50	Low	52	Low	58 Å²	58	99.7 Å²	99.7	60%	0.598	55%	0.549	S	S	*	.	S	Bend	trans	73.6	-10.1	170.8	0	0	0	0	0	116.8	G308	G308-G311 PolarHBondContact O-N 3.23Å
312	Q	44.8	Very low	54	Low	153 Å²	153	96 Å²	96	72%	0.715	53%	0.528	S	S	*	.			trans	-79.1	134.4	-178.7	-68.3	-174.6	-10.7	0	0	112.8	G308 Y310 L314	G308-Q312 PolarHBondContact N-O 2.89Å; G308-Q312 VanDerWaalsContact N-O 3.12Å; Y310-Q312 PolarHBondContact O-N 3.22Å; Q312-L314 PolarHBondContact O-N 2.66Å
313	P	44.8	Very low	55.6	Low	81 Å²	81	89.7 Å²	89.7	53%	0.526	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	107.5	-178.7	30.3	-34.1	0	0	0	112	I305 T315	I305-P313 HydrophobicContact CG2-CB 3.43Å; I305-P313 VanDerWaalsContact CG2-CB 3.43Å; P313-T315 PolarHBondContact O-N 2.6Å
314	L	53.9	Low	57.3	Low	93 Å²	93	89.6 Å²	89.6	49%	0.487	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	108.2	175.3	-81.6	159.7	0	0	0	110.6	I306 Q312 V316	I306-L314 WeakPolarHBondContact O-CB 3.44Å; I306-L314 PolarHBondContact O-N 2.9Å; Q312-L314 PolarHBondContact O-N 2.66Å; L314-V316 PolarHBondContact O-N 3.49Å
315	T	59.2	Low	58.8	Low	73 Å²	73	93.6 Å²	93.6	45%	0.448	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	109.2	173.8	49.1	0	0	0	0	110.5	P313 Y317	P313-T315 PolarHBondContact O-N 2.6Å; T315-Y317 VanDerWaalsContact O-CD2 3.23Å; T315-Y317 WeakPolarHBondContact O-CD2 3.25Å; T315-Y317 VanDerWaalsContact O-CE2 3.23Å; T315-Y317 WeakPolarHBondContact O-CE2 3.23Å; T315-Y317 PolarHBondContact OG1-OH 2.83Å
316	V	63.6	Low	60.2	Low	40 Å²	40	90.8 Å²	90.8	24%	0.242	49%	0.493	C	S	.	.			trans	-90.9	122.8	-179.1	-179.8	0	0	0	0	110.1	I306 L314 P318 K325	I306-V316 HydrophobicContact CD1-CG2 4.21Å; I306-V316 HydrophobicContact CG1-CG2 4.44Å; L314-V316 PolarHBondContact O-N 3.49Å; V316-P318 VanDerWaalsContact O-CD 3.25Å; V316-P318 WeakPolarHBondContact O-CD 3.23Å; V316-K325 HydrophobicContact CG1-CB 3.63Å; V316-K325 HydrophobicContact CG1-CD 4.12Å; V316-K325 HydrophobicContact CG1-CG 4.01Å
317	Y	72.1	Confident	60.9	Low	78 Å²	78	94.6 Å²	94.6	31%	0.306	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	106.1	-176.1	-63.6	-88.2	0	0	0	111.1	T315 F326 R329	T315-Y317 VanDerWaalsContact O-CD2 3.23Å; T315-Y317 WeakPolarHBondContact O-CD2 3.25Å; T315-Y317 VanDerWaalsContact O-CE2 3.23Å; T315-Y317 WeakPolarHBondContact O-CE2 3.23Å; T315-Y317 PolarHBondContact OG1-OH 2.83Å; Y317-F326 PolarHBondContact N-O 3.03Å; Y317-F326 PolarHBondContact O-N 3.16Å; Y317-R329 HydrophobicContact CD1-CB 4.19Å; Y317-R329 HydrophobicContact CD2-CB 4.23Å; Y317-R329 VanDerWaalsContact CD2-N 3.31Å; Y317-R329 HydrophobicContact CE1-CB 4.04Å; Y317-R329 HydrophobicContact CE2-CB 4.06Å; Y317-R329 HydrophobicContact CG-CB 4.28Å
318	P	68.8	Low	62.4	Low	63 Å²	63	91 Å²	91	41%	0.409	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	145.3	174.8	31.5	-35	0	0	0	112.3	V316 M320 K324 K325	V316-P318 VanDerWaalsContact O-CD 3.25Å; V316-P318 WeakPolarHBondContact O-CD 3.23Å; P318-M320 PolarHBondContact O-N 2.82Å; P318-K324 CarbonylContact C-O 3.59Å; P318-K325 HydrophobicContact CB-CG 4.41Å
319	C	75.7	Confident	63.8	Low	3 Å²	3	97.3 Å²	97.3	2%	0.02	51%	0.509	C	S	.	.			trans	-82.5	111.7	169.6	-174.8	0	0	0	0	110.7	L321 C322 G323 K324 F326 L332	C319-L321 PolarHBondContact O-N 3.36Å; C319-C322 VanDerWaalsContact CB-SG 3.54Å; C319-C322 PolarHBondContact O-N 3Å; C319-C322 VanDerWaalsContact O-N 3.15Å; C319-G323 WeakPolarHBondContact O-CA 3.22Å; C319-G323 PolarHBondContact O-N 3.15Å; C319-K324 PolarHBondContact N-O 3.23Å; C319-F326 HydrophobicContact CB-CE2 4.14Å; C319-L332 HydrophobicContact CB-CD1 3.54Å
320	M	66.9	Low	65.3	Low	177 Å²	177	93.3 Å²	93.3	87%	0.872	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-12.4	179.6	-59.3	-57.4	-67.8	0	0	114.7	P318	P318-M320 PolarHBondContact O-N 2.82Å
321	L	68.9	Low	66.5	Low	112 Å²	112	88.8 Å²	88.8	59%	0.586	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-7.8	-178.5	-57.8	177.5	0	0	0	114	C319 H340	C319-L321 PolarHBondContact O-N 3.36Å; L321-H340 WeakPolarHBondContact CB-CE1 3.39Å; L321-H340 HydrophobicContact CD1-CB 4.09Å; L321-H340 PolarHBondContact O-CE1 2.93Å
322	C	73.2	Confident	67.8	Low	45 Å²	45	87.4 Å²	87.4	30%	0.304	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.3	6.2	-177.5	71.9	0	0	0	0	115.6	C319 K324 H335	C319-C322 VanDerWaalsContact CB-SG 3.54Å; C319-C322 PolarHBondContact O-N 3Å; C319-C322 VanDerWaalsContact O-N 3.15Å; C322-K324 PolarHBondContact O-N 2.98Å; C322-H335 PolarHBondContact SG-NE2 3.1Å
323	G	67.5	Low	69.1	Low	55 Å²	55	86.4 Å²	86.4	57%	0.567	45%	0.448	S	S	*	.			trans	73.2	-16.4	178	0	0	0	0	0	116.4	C319 K325	C319-G323 WeakPolarHBondContact O-CA 3.22Å; C319-G323 PolarHBondContact O-N 3.15Å; G323-K325 PolarHBondContact O-N 3.23Å
324	K	73.1	Confident	70.5	Confident	103 Å²	103	90.1 Å²	90.1	45%	0.448	45%	0.452	S	S	.	.			trans	-59.3	128.5	-175.4	-65.8	174.7	-176.5	174.4	0	111.5	P318 C319 C322 F326 H339	P318-K324 CarbonylContact C-O 3.59Å; C319-K324 PolarHBondContact N-O 3.23Å; C322-K324 PolarHBondContact O-N 2.98Å; K324-F326 HydrophobicContact CB-CE2 3.67Å; K324-F326 HydrophobicContact CB-CZ 3.84Å; K324-F326 VanDerWaalsContact O-CD2 3.31Å; K324-F326 WeakPolarHBondContact O-CD2 3.31Å; K324-F326 WeakPolarHBondContact O-CE2 3.48Å; K324-H339 PolarHBondContact NZ-NE2 3.23Å
325	K	74.2	Confident	71.6	Confident	153 Å²	153	87 Å²	87	67%	0.665	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	131.5	-176.5	-74.9	-178.8	-179.7	-178.7	0	111.2	V316 P318 G323	V316-K325 HydrophobicContact CG1-CB 3.63Å; V316-K325 HydrophobicContact CG1-CD 4.12Å; V316-K325 HydrophobicContact CG1-CG 4.01Å; P318-K325 HydrophobicContact CB-CG 4.41Å; G323-K325 PolarHBondContact O-N 3.23Å
326	F	76.4	Confident	72.1	Confident	41 Å²	41	85.7 Å²	85.7	18%	0.18	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.1	-177	-64.5	-84.4	0	0	0	112.7	Y317 C319 K324 S328 F331 L332 H335	Y317-F326 PolarHBondContact N-O 3.03Å; Y317-F326 PolarHBondContact O-N 3.16Å; C319-F326 HydrophobicContact CB-CE2 4.14Å; K324-F326 HydrophobicContact CB-CE2 3.67Å; K324-F326 HydrophobicContact CB-CZ 3.84Å; K324-F326 VanDerWaalsContact O-CD2 3.31Å; K324-F326 WeakPolarHBondContact O-CD2 3.31Å; K324-F326 WeakPolarHBondContact O-CE2 3.48Å; F326-S328 PolarHBondContact O-N 3.01Å; F326-F331 HydrophobicContact CB-CB 4.33Å; F326-F331 HydrophobicContact CD1-CB 4.07Å; F326-L332 HydrophobicContact CB-CB 4.17Å; F326-L332 HydrophobicContact CD2-CB 4.1Å; F326-L332 HydrophobicContact CD2-CD1 3.77Å; F326-L332 HydrophobicContact CE2-CD1 4.07Å; F326-L332 HydrophobicContact CG-CB 4.25Å; F326-H335 HydrophobicContact CE1-CB 3.79Å; F326-H335 AromaticContact CE1-CG 3.96Å; F326-H335 HydrophobicContact CE2-CB 3.97Å; F326-H335 AromaticContact CE2-CD2 3.44Å; F326-H335 VanDerWaalsContact CE2-CD2 3.44Å; F326-H335 WeakPolarHBondContact CE2-CD2 3.39Å; F326-H335 AromaticContact CE2-CG 3.68Å; F326-H335 HydrophobicContact CZ-CB 3.47Å; F326-H335 VanDerWaalsContact CZ-CB 3.47Å; F326-H335 AromaticContact CZ-CD2 3.42Å; F326-H335 VanDerWaalsContact CZ-CD2 3.42Å; F326-H335 WeakPolarHBondContact CZ-CD2 3.34Å; F326-H335 AromaticContact CZ-CG 3.19Å; F326-H335 AromaticContact CZ-ND1 3.66Å; F326-H335 AromaticContact CZ-NE2 3.99Å
327	K	64.5	Low	72.5	Confident	180 Å²	180	90.8 Å²	90.8	78%	0.783	45%	0.445	S	S	*	.	S	Bend	trans	-70	-6.6	178.3	-61.7	-173.1	179.5	-175.9	0	114.5
328	S	75.4	Confident	72	Confident	41 Å²	41	92.6 Å²	92.6	29%	0.287	46%	0.46	S	S	.	.	S	Bend	trans	-154.3	153.9	168.5	91.4	0	0	0	0	112.9	F326 G330 F331 L332	F326-S328 PolarHBondContact O-N 3.01Å; S328-G330 PolarHBondContact O-N 3.06Å; S328-G330 PolarHBondContact OG-N 3.23Å; S328-F331 PolarHBondContact O-N 3.02Å; S328-F331 VanDerWaalsContact O-N 3.16Å; S328-F331 VanDerWaalsContact OG-CD2 3.25Å; S328-F331 WeakPolarHBondContact OG-CD2 3.39Å; S328-F331 PolarHBondContact OG-N 3.36Å; S328-L332 PolarHBondContact O-N 3.13Å
329	R	71.3	Confident	71.6	Confident	152 Å²	152	93.6 Å²	93.6	57%	0.574	46%	0.46	S	S	*	.	H	α-helix	trans	-58.7	-25.8	172.4	-177.1	168.6	165.1	82.3	-11	112.9	Y317 K333	Y317-R329 HydrophobicContact CD1-CB 4.19Å; Y317-R329 HydrophobicContact CD2-CB 4.23Å; Y317-R329 VanDerWaalsContact CD2-N 3.31Å; Y317-R329 HydrophobicContact CE1-CB 4.04Å; Y317-R329 HydrophobicContact CE2-CB 4.06Å; Y317-R329 HydrophobicContact CG-CB 4.28Å; R329-K333 WeakPolarHBondContact O-CB 3.25Å; R329-K333 WeakPolarHBondContact O-CG 3.47Å; R329-K333 PolarHBondContact O-N 3.48Å
330	G	75.4	Confident	71.1	Confident	45 Å²	45	94 Å²	94	46%	0.464	46%	0.461	S	S	.	.	H	α-helix	trans	-70.6	-45.3	173.6	0	0	0	0	0	112.8	S328 K333 R334	S328-G330 PolarHBondContact O-N 3.06Å; S328-G330 PolarHBondContact OG-N 3.23Å; G330-K333 PolarHBondContact O-N 3.34Å; G330-R334 PolarHBondContact O-N 3.24Å
331	F	76.3	Confident	70.6	Confident	118 Å²	118	89.5 Å²	89.5	52%	0.518	44%	0.438	S	S	.	.	H	α-helix	trans	-66.3	-38.6	174.4	-71.5	-67.3	0	0	0	111.9	F326 S328 R334 H335	F326-F331 HydrophobicContact CB-CB 4.33Å; F326-F331 HydrophobicContact CD1-CB 4.07Å; S328-F331 PolarHBondContact O-N 3.02Å; S328-F331 VanDerWaalsContact O-N 3.16Å; S328-F331 VanDerWaalsContact OG-CD2 3.25Å; S328-F331 WeakPolarHBondContact OG-CD2 3.39Å; S328-F331 PolarHBondContact OG-N 3.36Å; F331-R334 PolarHBondContact O-N 3.13Å; F331-H335 WeakPolarHBondContact O-CB 3.38Å; F331-H335 PolarHBondContact O-N 3.04Å
332	L	78.8	Confident	69.8	Low	29 Å²	29	90 Å²	90	15%	0.152	44%	0.441	C	S	.	.	H	α-helix	trans	-60.1	-47.4	171.9	175.8	58.9	0	0	0	111.8	C319 F326 S328 R334 H335 T336	C319-L332 HydrophobicContact CB-CD1 3.54Å; F326-L332 HydrophobicContact CB-CB 4.17Å; F326-L332 HydrophobicContact CD2-CB 4.1Å; F326-L332 HydrophobicContact CD2-CD1 3.77Å; F326-L332 HydrophobicContact CE2-CD1 4.07Å; F326-L332 HydrophobicContact CG-CB 4.25Å; S328-L332 PolarHBondContact O-N 3.13Å; L332-R334 VanDerWaalsContact C-N 3.3Å; L332-R334 PolarHBondContact O-N 3.17Å; L332-H335 PolarHBondContact O-N 2.86Å; L332-T336 HydrophobicContact CD1-CG2 3.95Å; L332-T336 PolarHBondContact O-N 3.29Å; L332-T336 PolarHBondContact O-OG1 2.89Å
333	K	72.2	Confident	69	Low	133 Å²	133	92.2 Å²	92.2	58%	0.578	45%	0.453	S	S	*	.	H	α-helix	trans	-58.9	-38.4	176.1	-82.1	-177.8	174.7	-174.5	0	112.7	R329 G330 T336 K337	R329-K333 WeakPolarHBondContact O-CB 3.25Å; R329-K333 WeakPolarHBondContact O-CG 3.47Å; R329-K333 PolarHBondContact O-N 3.48Å; G330-K333 PolarHBondContact O-N 3.34Å; K333-T336 PolarHBondContact O-OG1 3.19Å; K333-K337 VanDerWaalsContact O-CB 3.26Å; K333-K337 WeakPolarHBondContact O-CB 3.42Å; K333-K337 PolarHBondContact O-N 3.15Å; K333-K337 VanDerWaalsContact O-N 3.13Å
334	R	74.1	Confident	68.3	Low	159 Å²	159	94.6 Å²	94.6	60%	0.6	45%	0.452	S	S	*	.	H	α-helix	trans	-70.3	-39.6	175.7	-169.2	176.3	-65.9	160.2	1	111.5	G330 F331 L332 N338	G330-R334 PolarHBondContact O-N 3.24Å; F331-R334 PolarHBondContact O-N 3.13Å; L332-R334 VanDerWaalsContact C-N 3.3Å; L332-R334 PolarHBondContact O-N 3.17Å; R334-N338 WeakPolarHBondContact O-CB 3.44Å; R334-N338 VanDerWaalsContact O-CG 3.27Å; R334-N338 PolarHBondContact O-N 2.84Å; R334-N338 PolarHBondContact O-OD1 3.27Å
335	H	75.4	Confident	67.4	Low	28 Å²	28	92.7 Å²	92.7	13%	0.13	45%	0.449	C	S	.	.	H	α-helix	trans	-63.7	-48.8	175.2	173.2	67.5	0	0	0	112.1	C322 F326 F331 L332 K337 N338 H339 H340	C322-H335 PolarHBondContact SG-NE2 3.1Å; F326-H335 HydrophobicContact CE1-CB 3.79Å; F326-H335 AromaticContact CE1-CG 3.96Å; F326-H335 HydrophobicContact CE2-CB 3.97Å; F326-H335 AromaticContact CE2-CD2 3.44Å; F326-H335 VanDerWaalsContact CE2-CD2 3.44Å; F326-H335 WeakPolarHBondContact CE2-CD2 3.39Å; F326-H335 AromaticContact CE2-CG 3.68Å; F326-H335 HydrophobicContact CZ-CB 3.47Å; F326-H335 VanDerWaalsContact CZ-CB 3.47Å; F326-H335 AromaticContact CZ-CD2 3.42Å; F326-H335 VanDerWaalsContact CZ-CD2 3.42Å; F326-H335 WeakPolarHBondContact CZ-CD2 3.34Å; F326-H335 AromaticContact CZ-CG 3.19Å; F326-H335 AromaticContact CZ-ND1 3.66Å; F326-H335 AromaticContact CZ-NE2 3.99Å; F331-H335 WeakPolarHBondContact O-CB 3.38Å; F331-H335 PolarHBondContact O-N 3.04Å; L332-H335 PolarHBondContact O-N 2.86Å; H335-K337 VanDerWaalsContact C-N 3.33Å; H335-K337 PolarHBondContact O-N 3.44Å; H335-N338 PolarHBondContact O-N 3.41Å; H335-H339 WeakPolarHBondContact CE1-CB 3.47Å; H335-H339 AromaticContact CE1-CD2 3.61Å; H335-H339 AromaticContact CE1-CG 3.35Å; H335-H339 AromaticContact CE1-ND1 3.7Å; H335-H339 AromaticContact NE2-ND1 3.98Å; H335-H339 VanDerWaalsContact O-CB 3.24Å; H335-H339 WeakPolarHBondContact O-CB 3.26Å; H335-H339 PolarHBondContact O-N 3.4Å; H335-H340 AromaticContact NE2-NE2 3.99Å
336	T	70.7	Confident	66.3	Low	44 Å²	44	95.2 Å²	95.2	27%	0.27	46%	0.455	S	S	.	.	H	α-helix	trans	-62.4	-40.4	177.8	53.7	0	0	0	0	111.9	L332 K333 N338 H340	L332-T336 HydrophobicContact CD1-CG2 3.95Å; L332-T336 PolarHBondContact O-N 3.29Å; L332-T336 PolarHBondContact O-OG1 2.89Å; K333-T336 PolarHBondContact O-OG1 3.19Å; T336-N338 VanDerWaalsContact C-N 3.31Å; T336-N338 PolarHBondContact O-N 3.21Å; T336-H340 WeakPolarHBondContact O-CA 3.41Å; T336-H340 WeakPolarHBondContact O-CB 3.24Å; T336-H340 PolarHBondContact O-N 2.81Å; T336-H340 VanDerWaalsContact O-N 3.1Å
337	K	72	Confident	65.2	Low	147 Å²	147	99 Å²	99	64%	0.639	47%	0.471	S	S	*	.	H	α-helix	trans	-69.8	-20.2	177.3	-171.4	171.9	179.7	-179.1	0	114.6	K333 H335 Q341	K333-K337 VanDerWaalsContact O-CB 3.26Å; K333-K337 WeakPolarHBondContact O-CB 3.42Å; K333-K337 PolarHBondContact O-N 3.15Å; K333-K337 VanDerWaalsContact O-N 3.13Å; H335-K337 VanDerWaalsContact C-N 3.33Å; H335-K337 PolarHBondContact O-N 3.44Å; K337-Q341 WeakPolarHBondContact O-CB 3.39Å; K337-Q341 PolarHBondContact O-OE1 2.98Å
338	N	61.1	Low	65	Low	116 Å²	116	98.6 Å²	98.6	62%	0.62	47%	0.469	S	S	*	.	H	α-helix	trans	-105.6	-37.5	-179.2	-68.5	19.2	0	0	0	112.9	R334 H335 T336	R334-N338 WeakPolarHBondContact O-CB 3.44Å; R334-N338 VanDerWaalsContact O-CG 3.27Å; R334-N338 PolarHBondContact O-N 2.84Å; R334-N338 PolarHBondContact O-OD1 3.27Å; H335-N338 PolarHBondContact O-N 3.41Å; T336-N338 VanDerWaalsContact C-N 3.31Å; T336-N338 PolarHBondContact O-N 3.21Å
339	H	61.5	Low	64.6	Low	85 Å²	85	100.7 Å²	100.7	39%	0.394	47%	0.471	S	S	.	.	H	α-helix	trans	-96.1	-24.3	-174.7	-175.4	-85.8	0	0	0	113.2	K324 H335	K324-H339 PolarHBondContact NZ-NE2 3.23Å; H335-H339 WeakPolarHBondContact CE1-CB 3.47Å; H335-H339 AromaticContact CE1-CD2 3.61Å; H335-H339 AromaticContact CE1-CG 3.35Å; H335-H339 AromaticContact CE1-ND1 3.7Å; H335-H339 AromaticContact NE2-ND1 3.98Å; H335-H339 VanDerWaalsContact O-CB 3.24Å; H335-H339 WeakPolarHBondContact O-CB 3.26Å; H335-H339 PolarHBondContact O-N 3.4Å
340	H	64.1	Low	64.5	Low	12 Å²	12	100.3 Å²	100.3	6%	0.056	48%	0.476	C	S	.	.	S	Bend	trans	-110.2	10.7	175.8	-64.6	-84.6	0	0	0	112.5	L321 H335 T336 D342 V343 L344	L321-H340 WeakPolarHBondContact CB-CE1 3.39Å; L321-H340 HydrophobicContact CD1-CB 4.09Å; L321-H340 PolarHBondContact O-CE1 2.93Å; H335-H340 AromaticContact NE2-NE2 3.99Å; T336-H340 WeakPolarHBondContact O-CA 3.41Å; T336-H340 WeakPolarHBondContact O-CB 3.24Å; T336-H340 PolarHBondContact O-N 2.81Å; T336-H340 VanDerWaalsContact O-N 3.1Å; H340-D342 VanDerWaalsContact C-N 3.31Å; H340-D342 PolarHBondContact O-N 3.3Å; H340-V343 HydrophobicContact CB-CB 4.38Å; H340-V343 PolarHBondContact O-N 3.11Å; H340-L344 WeakPolarHBondContact O-CB 3.26Å; H340-L344 VanDerWaalsContact O-CG 3.26Å; H340-L344 WeakPolarHBondContact O-CG 3.41Å; H340-L344 PolarHBondContact O-N 3.47Å
341	Q	57.2	Low	64.4	Low	82 Å²	82	98.6 Å²	98.6	38%	0.383	46%	0.457	S	S	.	.	H	α-helix	trans	-57.3	-46.7	171.4	-165.8	62	26	0	0	110.3	K337 V343 L344 T345	K337-Q341 WeakPolarHBondContact O-CB 3.39Å; K337-Q341 PolarHBondContact O-OE1 2.98Å; Q341-V343 VanDerWaalsContact C-N 3.26Å; Q341-V343 PolarHBondContact O-N 2.93Å; Q341-L344 CarbonylContact O-C 3.46Å; Q341-L344 PolarHBondContact O-N 3.3Å; Q341-L344 VanDerWaalsContact O-N 3.07Å; Q341-T345 HydrophobicContact CG-CG2 4.42Å; Q341-T345 WeakPolarHBondContact O-CG2 3.37Å; Q341-T345 PolarHBondContact O-N 2.77Å; Q341-T345 PolarHBondContact O-OG1 3.15Å; Q341-T345 VanDerWaalsContact O-OG1 3.11Å
342	D	52.3	Low	64.1	Low	122 Å²	122	98.3 Å²	98.3	65%	0.652	47%	0.465	S	S	*	.	H	α-helix	trans	-69.8	-21	179.4	-59.9	-42.7	0	0	0	114.1	H340 T345	H340-D342 VanDerWaalsContact C-N 3.31Å; H340-D342 PolarHBondContact O-N 3.3Å; D342-T345 VanDerWaalsContact CA-OG1 3.3Å; D342-T345 WeakPolarHBondContact CA-OG1 3.45Å; D342-T345 PolarHBondContact O-OG1 3.08Å
343	V	54.6	Low	63.5	Low	92 Å²	92	101.2 Å²	101.2	56%	0.558	48%	0.481	S	S	*	.	H	α-helix	trans	-82.3	-30.1	172.2	-174.5	0	0	0	0	110.9	H340 Q341	H340-V343 HydrophobicContact CB-CB 4.38Å; H340-V343 PolarHBondContact O-N 3.11Å; Q341-V343 VanDerWaalsContact C-N 3.26Å; Q341-V343 PolarHBondContact O-N 2.93Å
344	L	54.6	Low	63.6	Low	104 Å²	104	97.5 Å²	97.5	55%	0.545	47%	0.471	S	S	.	.	H	α-helix	trans	-85.8	-18.8	175.7	-67.7	169.6	0	0	0	113.2	H340 Q341 N359	H340-L344 WeakPolarHBondContact O-CB 3.26Å; H340-L344 VanDerWaalsContact O-CG 3.26Å; H340-L344 WeakPolarHBondContact O-CG 3.41Å; H340-L344 PolarHBondContact O-N 3.47Å; Q341-L344 CarbonylContact O-C 3.46Å; Q341-L344 PolarHBondContact O-N 3.3Å; Q341-L344 VanDerWaalsContact O-N 3.07Å; L344-N359 PolarHBondContact O-ND2 2.97Å
345	T	52.8	Low	63.4	Low	63 Å²	63	97.4 Å²	97.4	39%	0.387	48%	0.482	S	S	.	.	S	Bend	trans	-91.6	-0.1	172.3	56.7	0	0	0	0	113.4	Q341 D342 K347	Q341-T345 HydrophobicContact CG-CG2 4.42Å; Q341-T345 WeakPolarHBondContact O-CG2 3.37Å; Q341-T345 PolarHBondContact O-N 2.77Å; Q341-T345 PolarHBondContact O-OG1 3.15Å; Q341-T345 VanDerWaalsContact O-OG1 3.11Å; D342-T345 VanDerWaalsContact CA-OG1 3.3Å; D342-T345 WeakPolarHBondContact CA-OG1 3.45Å; D342-T345 PolarHBondContact O-OG1 3.08Å; T345-K347 VanDerWaalsContact C-N 3.29Å; T345-K347 VanDerWaalsContact O-CG 3.24Å; T345-K347 WeakPolarHBondContact O-CG 3.3Å; T345-K347 PolarHBondContact O-N 2.79Å
346	R	52.7	Low	63.3	Low	207 Å²	207	100.4 Å²	100.4	78%	0.781	50%	0.495	S	S	*	.	S	Bend	trans	-66.4	93.4	160.9	-89.4	-170.2	159.7	-176.4	-6.3	109.4	K348	R346-K348 PolarHBondContact O-N 3.23Å
347	K	52.6	Low	63.6	Low	119 Å²	119	100.4 Å²	100.4	52%	0.517	50%	0.495	S	S	.	.			trans	-60.2	117.4	-173.1	-48.9	-177.8	-178	-173.3	0	109.8	T345 T357 N359	T345-K347 VanDerWaalsContact C-N 3.29Å; T345-K347 VanDerWaalsContact O-CG 3.24Å; T345-K347 WeakPolarHBondContact O-CG 3.3Å; T345-K347 PolarHBondContact O-N 2.79Å; K347-T357 HydrophobicContact CD-CG2 4.46Å; K347-T357 WeakPolarHBondContact CD-O 3.44Å; K347-T357 VanDerWaalsContact CD-OG1 3.24Å; K347-T357 WeakPolarHBondContact CD-OG1 3.46Å; K347-T357 PolarHBondContact NZ-OG1 3.11Å; K347-N359 WeakPolarHBondContact CA-OD1 3.5Å
348	K	60.5	Low	63.9	Low	172 Å²	172	94 Å²	94	75%	0.748	47%	0.469	S	S	*	.	S	Bend	trans	-85	-12.1	-174.2	-68.7	-169.1	175.6	-172.5	0	114.1	R346 T358	R346-K348 PolarHBondContact O-N 3.23Å; K348-T358 PolarHBondContact N-O 3.02Å
349	Y	66.4	Low	64.1	Low	85 Å²	85	92.6 Å²	92.6	33%	0.333	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	112.2	-174.3	-60	-69.4	0	0	0	108.5	T357 T358 K361 L364	Y349-T357 CarbonylContact O-C 3.58Å; Y349-T357 WeakPolarHBondContact O-CA 3.43Å; Y349-T358 PolarHBondContact N-O 3.2Å; Y349-T358 VanDerWaalsContact N-O 3.11Å; Y349-T358 PolarHBondContact O-N 3.38Å; Y349-K361 HydrophobicContact CD1-CB 4.49Å; Y349-K361 HydrophobicContact CE1-CB 4.05Å; Y349-K361 HydrophobicContact CE1-CG 4.19Å; Y349-K361 HydrophobicContact CE2-CB 4.2Å; Y349-L364 HydrophobicContact CD1-CD2 4.45Å
350	Q	69.3	Low	64.9	Low	144 Å²	144	95.5 Å²	95.5	67%	0.673	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	142.6	173.1	67.6	-167	36.9	0	0	109.1	T357	Q350-T357 HydrophobicContact CB-CG2 3.63Å
351	C	73.2	Confident	65.4	Low	9 Å²	9	102.1 Å²	102.1	6%	0.061	50%	0.501	C	S	.	.			trans	-69.5	148.7	163.7	-176.6	0	0	0	0	109.1	D353 C354 F356 L364 H367 H371	C351-D353 PolarHBondContact SG-N 3.28Å; C351-D353 PolarHBondContact SG-OD2 3.07Å; C351-C354 WeakPolarHBondContact CB-O 3.39Å; C351-F356 HydrophobicContact CB-CB 4.39Å; C351-F356 WeakPolarHBondContact CB-O 3.5Å; C351-F356 PolarHBondContact N-O 3.11Å; C351-L364 HydrophobicContact CB-CD1 3.98Å; C351-H367 PolarHBondContact SG-NE2 2.88Å; C351-H371 VanDerWaalsContact SG-CD2 3.57Å; C351-H371 PolarHBondContact SG-NE2 3.32Å
352	T	71.3	Confident	66.2	Low	113 Å²	113	101.1 Å²	101.1	69%	0.693	51%	0.507	S	S	*	.	S	Bend	trans	-81.1	-22.2	172.1	38.3	0	0	0	0	112.2
353	D	64.5	Low	67.3	Low	90 Å²	90	97.8 Å²	97.8	48%	0.481	49%	0.493	S	S	.	.	S	Bend	trans	-110.5	-11.7	-160.6	-32	-50.5	0	0	0	111.8	C351 H371	C351-D353 PolarHBondContact SG-N 3.28Å; C351-D353 PolarHBondContact SG-OD2 3.07Å; D353-H371 IonicContact OD2-CD2 2.6Å; D353-H371 IonicContact OD2-CG 2.73Å
354	C	75.9	Confident	68.4	Low	54 Å²	54	94.4 Å²	94.4	37%	0.365	47%	0.472	S	S	.	.	S	Bend	trans	-160.9	173.2	167.2	72.9	0	0	0	0	112.3	C351 F356 H367	C351-C354 WeakPolarHBondContact CB-O 3.39Å; C354-F356 PolarHBondContact O-N 3.32Å; C354-H367 PolarHBondContact SG-NE2 3.24Å
355	D	69.4	Low	69.4	Low	157 Å²	157	94.9 Å²	94.9	84%	0.84	47%	0.471	S	S	*	.	S	Bend	trans	-65.3	3.3	-178.7	-61.6	-52.2	0	0	0	115.6	T357	D355-T357 WeakPolarHBondContact O-CG2 3.37Å; D355-T357 PolarHBondContact O-N 3.47Å; D355-T357 PolarHBondContact O-OG1 2.89Å
356	F	72.9	Confident	70.5	Confident	91 Å²	91	96.6 Å²	96.6	40%	0.399	48%	0.478	S	S	.	.			trans	-67.1	126.5	-179.5	-172.9	-103.4	0	0	0	111.4	C351 C354 T358 H367	C351-F356 HydrophobicContact CB-CB 4.39Å; C351-F356 WeakPolarHBondContact CB-O 3.5Å; C351-F356 PolarHBondContact N-O 3.11Å; C354-F356 PolarHBondContact O-N 3.32Å; F356-T358 HydrophobicContact CD1-CG2 3.79Å; F356-T358 HydrophobicContact CE1-CG2 3.34Å; F356-T358 HydrophobicContact CZ-CG2 4.03Å; F356-H367 WeakPolarHBondContact CB-NE2 3.43Å; F356-H367 HydrophobicContact CD1-CB 3.76Å; F356-H367 AromaticContact CD1-CD2 3.39Å; F356-H367 WeakPolarHBondContact CD1-CD2 3.49Å; F356-H367 AromaticContact CD1-CE1 3.76Å; F356-H367 AromaticContact CD1-CG 3.21Å; F356-H367 AromaticContact CD1-ND1 3.48Å; F356-H367 WeakPolarHBondContact CD1-ND1 3.48Å; F356-H367 AromaticContact CD1-NE2 3.7Å; F356-H367 HydrophobicContact CE1-CB 3.59Å; F356-H367 AromaticContact CE1-CG 3.56Å; F356-H367 AromaticContact CE1-ND1 3.87Å; F356-H367 AromaticContact CG-CE1 3.67Å; F356-H367 AromaticContact CG-CG 3.94Å; F356-H367 AromaticContact CG-ND1 3.74Å; F356-H367 AromaticContact CG-NE2 3.82Å
357	T	77	Confident	71.7	Confident	45 Å²	45	88.2 Å²	88.2	28%	0.276	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	130.1	-163.9	39	0	0	0	0	109.7	K347 Y349 Q350 D355	K347-T357 HydrophobicContact CD-CG2 4.46Å; K347-T357 WeakPolarHBondContact CD-O 3.44Å; K347-T357 VanDerWaalsContact CD-OG1 3.24Å; K347-T357 WeakPolarHBondContact CD-OG1 3.46Å; K347-T357 PolarHBondContact NZ-OG1 3.11Å; Y349-T357 CarbonylContact O-C 3.58Å; Y349-T357 WeakPolarHBondContact O-CA 3.43Å; Q350-T357 HydrophobicContact CB-CG2 3.63Å; D355-T357 WeakPolarHBondContact O-CG2 3.37Å; D355-T357 PolarHBondContact O-N 3.47Å; D355-T357 PolarHBondContact O-OG1 2.89Å
358	T	77.4	Confident	72.6	Confident	13 Å²	13	86.2 Å²	86.2	8%	0.08	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	165	-163.6	118.6	0	0	0	0	113.5	K348 Y349 F356 K360 L364	K348-T358 PolarHBondContact N-O 3.02Å; Y349-T358 PolarHBondContact N-O 3.2Å; Y349-T358 VanDerWaalsContact N-O 3.11Å; Y349-T358 PolarHBondContact O-N 3.38Å; F356-T358 HydrophobicContact CD1-CG2 3.79Å; F356-T358 HydrophobicContact CE1-CG2 3.34Å; F356-T358 HydrophobicContact CZ-CG2 4.03Å; T358-K360 PolarHBondContact OG1-N 2.86Å; T358-K360 PolarHBondContact OG1-O 2.91Å; T358-L364 HydrophobicContact CG2-CB 4.28Å
359	N	66.8	Low	73.3	Confident	86 Å²	86	81.9 Å²	81.9	46%	0.46	42%	0.423	S	S	.	.	S	Bend	trans	-101.7	0.5	175.5	-68.5	4.9	0	0	0	113.7	L344 K347	L344-N359 PolarHBondContact O-ND2 2.97Å; K347-N359 WeakPolarHBondContact CA-OD1 3.5Å
360	K	76.8	Confident	73.4	Confident	146 Å²	146	82 Å²	82	64%	0.635	43%	0.432	S	S	*	.			trans	-131.7	125.3	-174.6	-67.4	-176	177.5	-175	0	110.7	T358 A362 S363 L364	T358-K360 PolarHBondContact OG1-N 2.86Å; T358-K360 PolarHBondContact OG1-O 2.91Å; K360-A362 VanDerWaalsContact C-N 3.31Å; K360-A362 PolarHBondContact O-N 2.82Å; K360-S363 PolarHBondContact O-N 2.73Å; K360-S363 VanDerWaalsContact O-N 3.08Å; K360-L364 PolarHBondContact O-N 3.06Å; K360-L364 VanDerWaalsContact O-N 3.15Å
361	K	74.4	Confident	73.3	Confident	151 Å²	151	77.8 Å²	77.8	66%	0.657	41%	0.413	S	S	*	.	H	α-helix	trans	-56.1	-42.9	178.7	-168.2	-176.8	178.3	-172.6	0	112.4	Y349 S363 L364 H365	Y349-K361 HydrophobicContact CD1-CB 4.49Å; Y349-K361 HydrophobicContact CE1-CB 4.05Å; Y349-K361 HydrophobicContact CE1-CG 4.19Å; Y349-K361 HydrophobicContact CE2-CB 4.2Å; K361-S363 PolarHBondContact O-N 3.08Å; K361-L364 PolarHBondContact O-N 3.03Å; K361-L364 VanDerWaalsContact O-N 3.11Å; K361-H365 PolarHBondContact O-N 2.86Å
362	A	74.8	Confident	72.8	Confident	61 Å²	61	79.5 Å²	79.5	50%	0.504	43%	0.428	S	S	.	.	H	α-helix	trans	-59	-45.4	175.5	0	0	0	0	0	112.3	K360 L364 H365 N366	K360-A362 VanDerWaalsContact C-N 3.31Å; K360-A362 PolarHBondContact O-N 2.82Å; A362-L364 PolarHBondContact O-N 3.06Å; A362-H365 WeakPolarHBondContact O-CA 3.39Å; A362-H365 WeakPolarHBondContact O-CB 3.24Å; A362-H365 PolarHBondContact O-N 2.77Å; A362-N366 PolarHBondContact O-N 2.89Å; A362-N366 PolarHBondContact O-OD1 3.14Å
363	S	75.4	Confident	72.2	Confident	52 Å²	52	79 Å²	79	36%	0.364	42%	0.42	S	S	.	.	H	α-helix	trans	-68.3	-15.8	176.9	-53.4	0	0	0	0	114.3	K360 K361 H367	K360-S363 PolarHBondContact O-N 2.73Å; K360-S363 VanDerWaalsContact O-N 3.08Å; K361-S363 PolarHBondContact O-N 3.08Å; S363-H367 WeakPolarHBondContact O-CB 3.24Å
364	L	78.3	Confident	71.6	Confident	21 Å²	21	79.2 Å²	79.2	11%	0.11	43%	0.429	C	S	.	.	H	α-helix	trans	-81.6	-41.8	164	179.1	63.4	0	0	0	110.9	Y349 C351 T358 K360 K361 A362 H367 M368	Y349-L364 HydrophobicContact CD1-CD2 4.45Å; C351-L364 HydrophobicContact CB-CD1 3.98Å; T358-L364 HydrophobicContact CG2-CB 4.28Å; K360-L364 PolarHBondContact O-N 3.06Å; K360-L364 VanDerWaalsContact O-N 3.15Å; K361-L364 PolarHBondContact O-N 3.03Å; K361-L364 VanDerWaalsContact O-N 3.11Å; A362-L364 PolarHBondContact O-N 3.06Å; L364-H367 CarbonylContact O-C 3.46Å; L364-H367 WeakPolarHBondContact O-CA 3.45Å; L364-H367 WeakPolarHBondContact O-CB 3.33Å; L364-H367 PolarHBondContact O-N 3.05Å; L364-M368 HydrophobicContact CD1-CG 3.98Å; L364-M368 HydrophobicContact CD1-SD 4.16Å; L364-M368 HydrophobicContact CD2-SD 4.14Å; L364-M368 HydrophobicContact CG-CG 4.15Å; L364-M368 HydrophobicContact CG-SD 3.87Å; L364-M368 WeakPolarHBondContact O-CG 3.44Å; L364-M368 PolarHBondContact O-N 3.43Å
365	H	75.8	Confident	70.6	Confident	114 Å²	114	81.1 Å²	81.1	53%	0.528	44%	0.443	S	S	.	.	H	α-helix	trans	-56.8	-54.9	177.9	-161.6	-84.7	0	0	0	111.9	K361 A362 H367 M368 E369	K361-H365 PolarHBondContact O-N 2.86Å; A362-H365 WeakPolarHBondContact O-CA 3.39Å; A362-H365 WeakPolarHBondContact O-CB 3.24Å; A362-H365 PolarHBondContact O-N 2.77Å; H365-H367 PolarHBondContact O-N 3.46Å; H365-M368 PolarHBondContact O-N 2.98Å; H365-M368 VanDerWaalsContact O-N 3.08Å; H365-E369 IonicContact CE1-OE1 2.6Å; H365-E369 PolarHBondContact CE1-OE1 3.4Å; H365-E369 IonicContact ND1-OE1 2.66Å; H365-E369 PolarHBondContact ND1-OE1 3.48Å; H365-E369 WeakPolarHBondContact O-CG 3.3Å; H365-E369 PolarHBondContact O-N 3.4Å
366	N	74.9	Confident	70.1	Confident	98 Å²	98	81 Å²	81	52%	0.524	44%	0.435	S	S	.	.	H	α-helix	trans	-61	-15.3	175.9	-66.8	79.4	0	0	0	114	A362 E369	A362-N366 PolarHBondContact O-N 2.89Å; A362-N366 PolarHBondContact O-OD1 3.14Å; N366-E369 WeakPolarHBondContact CA-OE2 3.4Å
367	H	78.6	Confident	69.3	Low	31 Å²	31	80.6 Å²	80.6	14%	0.144	45%	0.448	C	S	.	.	H	α-helix	trans	-92.5	-39.3	173.7	172.5	77.4	0	0	0	112.1	C351 C354 F356 S363 L364 H365 E369 V370 H371	C351-H367 PolarHBondContact SG-NE2 2.88Å; C354-H367 PolarHBondContact SG-NE2 3.24Å; F356-H367 WeakPolarHBondContact CB-NE2 3.43Å; F356-H367 HydrophobicContact CD1-CB 3.76Å; F356-H367 AromaticContact CD1-CD2 3.39Å; F356-H367 WeakPolarHBondContact CD1-CD2 3.49Å; F356-H367 AromaticContact CD1-CE1 3.76Å; F356-H367 AromaticContact CD1-CG 3.21Å; F356-H367 AromaticContact CD1-ND1 3.48Å; F356-H367 WeakPolarHBondContact CD1-ND1 3.48Å; F356-H367 AromaticContact CD1-NE2 3.7Å; F356-H367 HydrophobicContact CE1-CB 3.59Å; F356-H367 AromaticContact CE1-CG 3.56Å; F356-H367 AromaticContact CE1-ND1 3.87Å; F356-H367 AromaticContact CG-CE1 3.67Å; F356-H367 AromaticContact CG-CG 3.94Å; F356-H367 AromaticContact CG-ND1 3.74Å; F356-H367 AromaticContact CG-NE2 3.82Å; S363-H367 WeakPolarHBondContact O-CB 3.24Å; L364-H367 CarbonylContact O-C 3.46Å; L364-H367 WeakPolarHBondContact O-CA 3.45Å; L364-H367 WeakPolarHBondContact O-CB 3.33Å; L364-H367 PolarHBondContact O-N 3.05Å; H365-H367 PolarHBondContact O-N 3.46Å; H367-E369 PolarHBondContact O-N 3.41Å; H367-V370 VanDerWaalsContact O-CB 3.3Å; H367-V370 WeakPolarHBondContact O-CB 3.49Å; H367-V370 PolarHBondContact O-N 3.33Å; H367-H371 AromaticContact CD2-NE2 3.86Å; H367-H371 AromaticContact CE1-NE2 3.62Å; H367-H371 AromaticContact NE2-CD2 3.69Å; H367-H371 AromaticContact NE2-NE2 3.06Å; H367-H371 PolarHBondContact NE2-NE2 3.25Å; H367-H371 PolarHBondContact O-N 3.4Å
368	M	71.3	Confident	68.6	Low	78 Å²	78	80.5 Å²	80.5	38%	0.384	45%	0.448	S	S	.	.	H	α-helix	trans	-65.6	-28.2	171.2	-66.9	-178.9	76.1	0	0	111.6	L364 H365 V370 H371 A372	L364-M368 HydrophobicContact CD1-CG 3.98Å; L364-M368 HydrophobicContact CD1-SD 4.16Å; L364-M368 HydrophobicContact CD2-SD 4.14Å; L364-M368 HydrophobicContact CG-CG 4.15Å; L364-M368 HydrophobicContact CG-SD 3.87Å; L364-M368 WeakPolarHBondContact O-CG 3.44Å; L364-M368 PolarHBondContact O-N 3.43Å; H365-M368 PolarHBondContact O-N 2.98Å; H365-M368 VanDerWaalsContact O-N 3.08Å; M368-V370 VanDerWaalsContact C-N 3.26Å; M368-V370 PolarHBondContact O-N 3.06Å; M368-H371 PolarHBondContact O-N 3.32Å; M368-A372 WeakPolarHBondContact O-CB 3.39Å; M368-A372 PolarHBondContact O-N 3.44Å
369	E	74.9	Confident	68.1	Low	81 Å²	81	83.2 Å²	83.2	38%	0.379	46%	0.459	S	S	.	.	H	α-helix	trans	-59.3	-32.8	166.7	-77.2	167.3	-174.3	0	0	112.5	H365 N366 H367 A372 L373	H365-E369 IonicContact CE1-OE1 2.6Å; H365-E369 PolarHBondContact CE1-OE1 3.4Å; H365-E369 IonicContact ND1-OE1 2.66Å; H365-E369 PolarHBondContact ND1-OE1 3.48Å; H365-E369 WeakPolarHBondContact O-CG 3.3Å; H365-E369 PolarHBondContact O-N 3.4Å; N366-E369 WeakPolarHBondContact CA-OE2 3.4Å; H367-E369 PolarHBondContact O-N 3.41Å; E369-A372 PolarHBondContact O-N 2.78Å; E369-L373 VanDerWaalsContact O-CB 3.31Å; E369-L373 WeakPolarHBondContact O-CB 3.39Å; E369-L373 WeakPolarHBondContact O-CD1 3.46Å; E369-L373 WeakPolarHBondContact O-CG 3.41Å; E369-L373 PolarHBondContact O-N 2.85Å
370	V	67.6	Low	68.1	Low	87 Å²	87	85 Å²	85	53%	0.527	47%	0.465	S	S	.	.	H	α-helix	trans	-67.4	-41.6	175.2	-176.2	0	0	0	0	110.9	H367 M368 L373 S374	H367-V370 VanDerWaalsContact O-CB 3.3Å; H367-V370 WeakPolarHBondContact O-CB 3.49Å; H367-V370 PolarHBondContact O-N 3.33Å; M368-V370 VanDerWaalsContact C-N 3.26Å; M368-V370 PolarHBondContact O-N 3.06Å; V370-L373 PolarHBondContact O-N 3.02Å; V370-S374 WeakPolarHBondContact O-CB 3.42Å; V370-S374 PolarHBondContact O-N 3.12Å
371	H	68.6	Low	67.9	Low	55 Å²	55	78.1 Å²	78.1	26%	0.255	44%	0.435	S	S	.	.	H	α-helix	trans	-66.4	-41.6	173.7	-63.5	-63.5	0	0	0	111.7	C351 D353 H367 M368 L373 S374 S375	C351-H371 VanDerWaalsContact SG-CD2 3.57Å; C351-H371 PolarHBondContact SG-NE2 3.32Å; D353-H371 IonicContact OD2-CD2 2.6Å; D353-H371 IonicContact OD2-CG 2.73Å; H367-H371 AromaticContact CD2-NE2 3.86Å; H367-H371 AromaticContact CE1-NE2 3.62Å; H367-H371 AromaticContact NE2-CD2 3.69Å; H367-H371 AromaticContact NE2-NE2 3.06Å; H367-H371 PolarHBondContact NE2-NE2 3.25Å; H367-H371 PolarHBondContact O-N 3.4Å; M368-H371 PolarHBondContact O-N 3.32Å; H371-L373 VanDerWaalsContact C-N 3.29Å; H371-L373 PolarHBondContact O-N 2.9Å; H371-S374 CarbonylContact O-C 3.58Å; H371-S374 WeakPolarHBondContact O-CB 3.49Å; H371-S374 PolarHBondContact O-N 2.77Å; H371-S375 PolarHBondContact O-N 3.48Å
372	A	63.2	Low	67.5	Low	46 Å²	46	78.3 Å²	78.3	38%	0.38	44%	0.438	S	S	.	.	H	α-helix	trans	-71.7	-18.1	177.8	0	0	0	0	0	114.5	M368 E369 S375 K376	M368-A372 WeakPolarHBondContact O-CB 3.39Å; M368-A372 PolarHBondContact O-N 3.44Å; E369-A372 PolarHBondContact O-N 2.78Å; A372-S375 PolarHBondContact O-OG 2.77Å; A372-K376 WeakPolarHBondContact O-CG 3.39Å
373	L	57	Low	66.8	Low	101 Å²	101	81.9 Å²	81.9	53%	0.529	45%	0.446	S	S	.	.	H	α-helix	trans	-83.5	-39.4	166.9	-74.7	166.2	0	0	0	110.9	E369 V370 H371 S375 K376	E369-L373 VanDerWaalsContact O-CB 3.31Å; E369-L373 WeakPolarHBondContact O-CB 3.39Å; E369-L373 WeakPolarHBondContact O-CD1 3.46Å; E369-L373 WeakPolarHBondContact O-CG 3.41Å; E369-L373 PolarHBondContact O-N 2.85Å; V370-L373 PolarHBondContact O-N 3.02Å; H371-L373 VanDerWaalsContact C-N 3.29Å; H371-L373 PolarHBondContact O-N 2.9Å; L373-S375 PolarHBondContact O-N 2.94Å; L373-K376 PolarHBondContact O-N 3.27Å
374	S	53.3	Low	66.6	Low	95 Å²	95	81.4 Å²	81.4	66%	0.664	44%	0.442	S	S	*	.	H	α-helix	trans	-65.8	-14	172.6	-168.3	0	0	0	0	113.7	V370 H371	V370-S374 WeakPolarHBondContact O-CB 3.42Å; V370-S374 PolarHBondContact O-N 3.12Å; H371-S374 CarbonylContact O-C 3.58Å; H371-S374 WeakPolarHBondContact O-CB 3.49Å; H371-S374 PolarHBondContact O-N 2.77Å
375	S	54.3	Low	66.2	Low	95 Å²	95	83.3 Å²	83.3	66%	0.664	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	17	176.1	80.3	0	0	0	0	113.7	H371 A372 L373	H371-S375 PolarHBondContact O-N 3.48Å; A372-S375 PolarHBondContact O-OG 2.77Å; L373-S375 PolarHBondContact O-N 2.94Å
376	K	58.2	Low	66	Low	155 Å²	155	82.5 Å²	82.5	67%	0.674	46%	0.462	S	S	*	.	S	Bend	trans	-116.9	160.6	172.5	-76.2	179.2	179.8	-178.8	0	110.2	A372 L373	A372-K376 WeakPolarHBondContact O-CG 3.39Å; L373-K376 PolarHBondContact O-N 3.27Å
377	A	57.8	Low	65.8	Low	81 Å²	81	84.1 Å²	84.1	67%	0.669	47%	0.466	S	S	*	.			trans	-53.4	141.7	-170.2	0	0	0	0	0	112
378	P	61.6	Low	65.6	Low	44 Å²	44	84.6 Å²	84.6	29%	0.286	47%	0.468	S	S	.	.			trans	-58	140.7	177.6	23.5	-32	0	0	0	110.9	E380 E387	P378-E380 PolarHBondContact O-N 2.82Å; P378-E380 VanDerWaalsContact O-N 3.17Å; P378-E387 HydrophobicContact CB-CB 3.75Å; P378-E387 HydrophobicContact CB-CG 3.87Å; P378-E387 HydrophobicContact CG-CB 4.18Å; P378-E387 HydrophobicContact CG-CG 3.75Å; P378-E387 WeakPolarHBondContact CG-OE1 3.45Å
379	F	66.9	Low	65	Low	69 Å²	69	88 Å²	88	30%	0.303	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	104.9	178.3	-64.2	-83.3	0	0	0	109.1	F388 Q391 L394	F379-F388 WeakPolarHBondContact CB-O 3.47Å; F379-F388 WeakPolarHBondContact CD2-O 3.3Å; F379-F388 PolarHBondContact N-O 2.99Å; F379-F388 PolarHBondContact O-N 3.39Å; F379-Q391 HydrophobicContact CD1-CB 4.48Å; F379-Q391 HydrophobicContact CD2-CB 4.48Å; F379-Q391 HydrophobicContact CE1-CB 4.36Å; F379-Q391 HydrophobicContact CE2-CB 4.37Å; F379-Q391 HydrophobicContact CZ-CB 4.3Å; F379-L394 HydrophobicContact CB-CB 4.41Å; F379-L394 HydrophobicContact CB-CD2 3.83Å
380	E	66	Low	64.7	Low	124 Å²	124	90.9 Å²	90.9	58%	0.579	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	148.2	-177.1	67.5	-175.4	144.3	0	0	114.1	P378 E382 K386 L394 R398	P378-E380 PolarHBondContact O-N 2.82Å; P378-E380 VanDerWaalsContact O-N 3.17Å; E380-E382 PolarHBondContact O-N 3.46Å; E380-K386 CarbonylContact C-O 3.52Å; E380-K386 WeakPolarHBondContact CA-O 3.4Å; E380-L394 WeakPolarHBondContact O-CD2 3.23Å; E380-R398 PolarHBondContact O-NH2 2.96Å
381	C	72.4	Confident	64.3	Low	1 Å²	1	93.3 Å²	93.3	1%	0.007	50%	0.502	C	S	.	.			trans	-83.3	98.2	170.3	175.8	0	0	0	0	109.7	M383 C384 G385 K386 F388 L394	C381-M383 PolarHBondContact O-N 3.14Å; C381-C384 HydrophobicContact CB-CB 4.25Å; C381-C384 WeakPolarHBondContact CB-SG 3.22Å; C381-C384 CarbonylContact O-C 3.57Å; C381-C384 PolarHBondContact O-N 2.94Å; C381-C384 WeakPolarHBondContact SG-CB 3.39Å; C381-C384 PolarHBondContact SG-N 2.9Å; C381-C384 CovalentContact SG-SG 2.04Å; C381-C384 PolarHBondContact SG-SG 3.4Å; C381-G385 PolarHBondContact O-N 3.33Å; C381-K386 HydrophobicContact CB-CB 4.19Å; C381-K386 WeakPolarHBondContact CB-O 3.23Å; C381-K386 PolarHBondContact N-O 3.2Å; C381-F388 HydrophobicContact CB-CE2 4.36Å; C381-L394 HydrophobicContact CB-CD1 3.89Å
382	E	65.9	Low	64.4	Low	155 Å²	155	92.9 Å²	92.9	72%	0.724	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-31.1	177.2	-64	155.9	118	0	0	112.9	E380 R398	E380-E382 PolarHBondContact O-N 3.46Å; E382-R398 IonicContact OE2-CZ 3.73Å; E382-R398 IonicContact OE2-NH1 3.36Å; E382-R398 PolarHBondContact OE2-NH1 3.19Å; E382-R398 IonicContact OE2-NH2 3.11Å; E382-R398 PolarHBondContact OE2-NH2 3.02Å
383	M	60.4	Low	64.9	Low	137 Å²	137	92.7 Å²	92.7	68%	0.675	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-10.8	178.3	-62.6	-62.7	-62.4	0	0	114.7	C381	C381-M383 PolarHBondContact O-N 3.14Å
384	C	72.5	Confident	65.7	Low	42 Å²	42	88.7 Å²	88.7	28%	0.284	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.4	4.3	-167	74.4	0	0	0	0	117.7	C381 K386 H397 H402	C381-C384 HydrophobicContact CB-CB 4.25Å; C381-C384 WeakPolarHBondContact CB-SG 3.22Å; C381-C384 CarbonylContact O-C 3.57Å; C381-C384 PolarHBondContact O-N 2.94Å; C381-C384 WeakPolarHBondContact SG-CB 3.39Å; C381-C384 PolarHBondContact SG-N 2.9Å; C381-C384 CovalentContact SG-SG 2.04Å; C381-C384 PolarHBondContact SG-SG 3.4Å; C384-K386 PolarHBondContact O-N 3.33Å; C384-H397 PolarHBondContact SG-NE2 3.21Å; C384-H402 WeakPolarHBondContact CB-NE2 3.14Å; C384-H402 PolarHBondContact SG-NE2 3.03Å
385	G	69.3	Low	66.4	Low	61 Å²	61	89.9 Å²	89.9	63%	0.629	48%	0.483	S	S	*	.			trans	65.1	6.5	175.8	0	0	0	0	0	116.3	C381	C381-G385 PolarHBondContact O-N 3.33Å
386	K	71.3	Confident	67.3	Low	97 Å²	97	88.4 Å²	88.4	42%	0.422	47%	0.473	S	S	.	.			trans	-82.9	125.3	-177.8	-68.8	173.3	-167.9	162.6	0	111.6	E380 C381 C384 F388 H397	E380-K386 CarbonylContact C-O 3.52Å; E380-K386 WeakPolarHBondContact CA-O 3.4Å; C381-K386 HydrophobicContact CB-CB 4.19Å; C381-K386 WeakPolarHBondContact CB-O 3.23Å; C381-K386 PolarHBondContact N-O 3.2Å; C384-K386 PolarHBondContact O-N 3.33Å; K386-F388 HydrophobicContact CB-CD2 4.48Å; K386-F388 HydrophobicContact CB-CE2 3.56Å; K386-F388 HydrophobicContact CB-CZ 3.88Å; K386-F388 HydrophobicContact CD-CZ 4.47Å; K386-F388 VanDerWaalsContact O-CD2 3.32Å; K386-F388 WeakPolarHBondContact O-CD2 3.35Å; K386-F388 WeakPolarHBondContact O-CE2 3.41Å; K386-H397 WeakPolarHBondContact CD-NE2 3.5Å; K386-H397 PolarHBondContact NZ-CE1 3.26Å
387	E	70.9	Confident	68.1	Low	132 Å²	132	81.8 Å²	81.8	62%	0.617	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	135	175.6	-74.2	-173.6	171.1	0	0	112.3	P378	P378-E387 HydrophobicContact CB-CB 3.75Å; P378-E387 HydrophobicContact CB-CG 3.87Å; P378-E387 HydrophobicContact CG-CB 4.18Å; P378-E387 HydrophobicContact CG-CG 3.75Å; P378-E387 WeakPolarHBondContact CG-OE1 3.45Å
388	F	73.6	Confident	68.7	Low	41 Å²	41	81.9 Å²	81.9	18%	0.18	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	133.1	175.1	-62.3	-88.4	0	0	0	111.9	F379 C381 K386 Q390 A393 L394 H397	F379-F388 WeakPolarHBondContact CB-O 3.47Å; F379-F388 WeakPolarHBondContact CD2-O 3.3Å; F379-F388 PolarHBondContact N-O 2.99Å; F379-F388 PolarHBondContact O-N 3.39Å; C381-F388 HydrophobicContact CB-CE2 4.36Å; K386-F388 HydrophobicContact CB-CD2 4.48Å; K386-F388 HydrophobicContact CB-CE2 3.56Å; K386-F388 HydrophobicContact CB-CZ 3.88Å; K386-F388 HydrophobicContact CD-CZ 4.47Å; K386-F388 VanDerWaalsContact O-CD2 3.32Å; K386-F388 WeakPolarHBondContact O-CD2 3.35Å; K386-F388 WeakPolarHBondContact O-CE2 3.41Å; F388-Q390 PolarHBondContact O-N 3.46Å; F388-A393 HydrophobicContact CB-CB 4.43Å; F388-A393 HydrophobicContact CD1-CB 4.04Å; F388-L394 HydrophobicContact CB-CB 4.18Å; F388-L394 HydrophobicContact CD2-CB 4.04Å; F388-L394 HydrophobicContact CD2-CD1 3.72Å; F388-L394 HydrophobicContact CD2-CG 4.47Å; F388-L394 HydrophobicContact CE2-CD1 3.97Å; F388-L394 HydrophobicContact CG-CB 4.23Å; F388-H397 HydrophobicContact CE1-CB 4.01Å; F388-H397 HydrophobicContact CE2-CB 4.03Å; F388-H397 AromaticContact CE2-CD2 3.65Å; F388-H397 AromaticContact CE2-CG 3.79Å; F388-H397 HydrophobicContact CZ-CB 3.58Å; F388-H397 AromaticContact CZ-CD2 3.5Å; F388-H397 VanDerWaalsContact CZ-CD2 3.5Å; F388-H397 WeakPolarHBondContact CZ-CD2 3.45Å; F388-H397 AromaticContact CZ-CG 3.25Å; F388-H397 AromaticContact CZ-ND1 3.7Å
389	H	59.1	Low	69.3	Low	150 Å²	150	83.9 Å²	83.9	69%	0.694	44%	0.435	S	S	*	.	S	Bend	trans	-77.9	0.6	177.7	-57.6	-58.1	0	0	0	114.4
390	Q	68.9	Low	69.2	Low	140 Å²	140	88.1 Å²	88.1	65%	0.654	46%	0.456	S	S	*	.	S	Bend	trans	-143.4	131.2	177.6	-63.9	-174.9	10.3	0	0	110.8	F388 G392 A393 L394	F388-Q390 PolarHBondContact O-N 3.46Å; Q390-G392 PolarHBondContact O-N 2.9Å; Q390-A393 HydrophobicContact CB-CB 4.29Å; Q390-A393 WeakPolarHBondContact O-CB 3.48Å; Q390-A393 PolarHBondContact O-N 3.38Å; Q390-L394 PolarHBondContact O-N 2.81Å; Q390-L394 VanDerWaalsContact O-N 3.16Å
391	Q	60.2	Low	69	Low	138 Å²	138	87.8 Å²	87.8	65%	0.645	45%	0.454	S	S	*	.	H	α-helix	trans	-58.5	-34.1	178.8	-172.3	178.7	-1.9	0	0	112.9	F379 L394 F395	F379-Q391 HydrophobicContact CD1-CB 4.48Å; F379-Q391 HydrophobicContact CD2-CB 4.48Å; F379-Q391 HydrophobicContact CE1-CB 4.36Å; F379-Q391 HydrophobicContact CE2-CB 4.37Å; F379-Q391 HydrophobicContact CZ-CB 4.3Å; Q391-L394 PolarHBondContact O-N 2.96Å; Q391-F395 WeakPolarHBondContact O-CB 3.36Å; Q391-F395 PolarHBondContact O-N 3.12Å
392	G	70.4	Confident	68.6	Low	46 Å²	46	90.7 Å²	90.7	47%	0.474	47%	0.468	S	S	.	.	H	α-helix	trans	-65.9	-33.6	173.9	0	0	0	0	0	113.6	Q390 F395 S396	Q390-G392 PolarHBondContact O-N 2.9Å; G392-F395 PolarHBondContact O-N 3.27Å; G392-S396 PolarHBondContact O-N 2.95Å; G392-S396 PolarHBondContact O-OG 2.84Å
393	A	72.4	Confident	68.2	Low	43 Å²	43	91.4 Å²	91.4	36%	0.355	47%	0.471	S	S	.	.	H	α-helix	trans	-70.8	-40.3	174.5	0	0	0	0	0	111.3	F388 Q390 F395 H397	F388-A393 HydrophobicContact CB-CB 4.43Å; F388-A393 HydrophobicContact CD1-CB 4.04Å; Q390-A393 HydrophobicContact CB-CB 4.29Å; Q390-A393 WeakPolarHBondContact O-CB 3.48Å; Q390-A393 PolarHBondContact O-N 3.38Å; A393-F395 VanDerWaalsContact C-N 3.33Å; A393-F395 PolarHBondContact O-N 3.4Å; A393-H397 VanDerWaalsContact O-CB 3.23Å; A393-H397 WeakPolarHBondContact O-CB 3.37Å; A393-H397 PolarHBondContact O-N 3.48Å
394	L	74.6	Confident	67.7	Low	16 Å²	16	96 Å²	96	8%	0.084	48%	0.48	C	S	.	.	H	α-helix	trans	-62.1	-39.5	170.9	176.6	63	0	0	0	111.8	F379 E380 C381 F388 Q390 Q391 H397 R398	F379-L394 HydrophobicContact CB-CB 4.41Å; F379-L394 HydrophobicContact CB-CD2 3.83Å; E380-L394 WeakPolarHBondContact O-CD2 3.23Å; C381-L394 HydrophobicContact CB-CD1 3.89Å; F388-L394 HydrophobicContact CB-CB 4.18Å; F388-L394 HydrophobicContact CD2-CB 4.04Å; F388-L394 HydrophobicContact CD2-CD1 3.72Å; F388-L394 HydrophobicContact CD2-CG 4.47Å; F388-L394 HydrophobicContact CE2-CD1 3.97Å; F388-L394 HydrophobicContact CG-CB 4.23Å; Q390-L394 PolarHBondContact O-N 2.81Å; Q390-L394 VanDerWaalsContact O-N 3.16Å; Q391-L394 PolarHBondContact O-N 2.96Å; L394-H397 PolarHBondContact O-N 2.98Å; L394-R398 HydrophobicContact CD1-CG 4.13Å; L394-R398 HydrophobicContact CG-CG 4.48Å; L394-R398 WeakPolarHBondContact O-CG 3.39Å; L394-R398 PolarHBondContact O-N 2.97Å
395	F	68.6	Low	66.1	Low	120 Å²	120	100.6 Å²	100.6	53%	0.526	50%	0.498	S	S	.	.	H	α-helix	trans	-63.2	-52.5	178	-178.3	-96.6	0	0	0	111.7	T87 Q391 G392 A393 H397 R398 L399	T87-F395 HydrophobicContact CG2-CE1 4.34Å; T87-F395 HydrophobicContact CG2-CZ 4.33Å; Q391-F395 WeakPolarHBondContact O-CB 3.36Å; Q391-F395 PolarHBondContact O-N 3.12Å; G392-F395 PolarHBondContact O-N 3.27Å; A393-F395 VanDerWaalsContact C-N 3.33Å; A393-F395 PolarHBondContact O-N 3.4Å; F395-H397 VanDerWaalsContact C-N 3.25Å; F395-H397 PolarHBondContact O-N 2.79Å; F395-R398 PolarHBondContact O-N 2.87Å; F395-L399 HydrophobicContact CE1-CD2 4.46Å; F395-L399 WeakPolarHBondContact O-CB 3.25Å; F395-L399 PolarHBondContact O-N 2.85Å
396	S	72.8	Confident	65.2	Low	64 Å²	64	103.9 Å²	103.9	45%	0.448	51%	0.508	S	S	.	.	H	α-helix	trans	-59.9	-37.1	174.2	-60.4	0	0	0	0	111.8	G392 L399 Q400	G392-S396 PolarHBondContact O-N 2.95Å; G392-S396 PolarHBondContact O-OG 2.84Å; S396-L399 PolarHBondContact O-N 3.22Å; S396-Q400 WeakPolarHBondContact O-CB 3.39Å; S396-Q400 PolarHBondContact O-N 3.11Å
397	H	74.9	Confident	63.8	Low	17 Å²	17	107 Å²	107	8%	0.079	52%	0.521	C	S	.	.	H	α-helix	trans	-63.9	-46.1	176.1	-173.3	66.2	0	0	0	112.9	C384 K386 F388 A393 L394 F395 Q400 H401	C384-H397 PolarHBondContact SG-NE2 3.21Å; K386-H397 WeakPolarHBondContact CD-NE2 3.5Å; K386-H397 PolarHBondContact NZ-CE1 3.26Å; F388-H397 HydrophobicContact CE1-CB 4.01Å; F388-H397 HydrophobicContact CE2-CB 4.03Å; F388-H397 AromaticContact CE2-CD2 3.65Å; F388-H397 AromaticContact CE2-CG 3.79Å; F388-H397 HydrophobicContact CZ-CB 3.58Å; F388-H397 AromaticContact CZ-CD2 3.5Å; F388-H397 VanDerWaalsContact CZ-CD2 3.5Å; F388-H397 WeakPolarHBondContact CZ-CD2 3.45Å; F388-H397 AromaticContact CZ-CG 3.25Å; F388-H397 AromaticContact CZ-ND1 3.7Å; A393-H397 VanDerWaalsContact O-CB 3.23Å; A393-H397 WeakPolarHBondContact O-CB 3.37Å; A393-H397 PolarHBondContact O-N 3.48Å; L394-H397 PolarHBondContact O-N 2.98Å; F395-H397 VanDerWaalsContact C-N 3.25Å; F395-H397 PolarHBondContact O-N 2.79Å; H397-Q400 PolarHBondContact O-N 2.84Å; H397-H401 AromaticContact CE1-CD2 3.12Å; H397-H401 PolarHBondContact CE1-CD2 2.92Å; H397-H401 AromaticContact CE1-CG 3.54Å; H397-H401 AromaticContact CE1-NE2 3.68Å; H397-H401 AromaticContact ND1-CD2 3.17Å; H397-H401 PolarHBondContact ND1-CD2 3.41Å; H397-H401 AromaticContact ND1-CG 4Å; H397-H401 AromaticContact ND1-NE2 3.76Å; H397-H401 WeakPolarHBondContact O-CB 3.4Å; H397-H401 PolarHBondContact O-N 3.33Å
398	R	70.3	Confident	62.6	Low	83 Å²	83	105.7 Å²	105.7	31%	0.313	53%	0.533	S	S	.	.	H	α-helix	trans	-60.8	-45.5	174.7	-72.5	-176.9	-171.5	-141.9	-0.6	110.6	E380 E382 L394 F395 Q400 H402	E380-R398 PolarHBondContact O-NH2 2.96Å; E382-R398 IonicContact OE2-CZ 3.73Å; E382-R398 IonicContact OE2-NH1 3.36Å; E382-R398 PolarHBondContact OE2-NH1 3.19Å; E382-R398 IonicContact OE2-NH2 3.11Å; E382-R398 PolarHBondContact OE2-NH2 3.02Å; L394-R398 HydrophobicContact CD1-CG 4.13Å; L394-R398 HydrophobicContact CG-CG 4.48Å; L394-R398 WeakPolarHBondContact O-CG 3.39Å; L394-R398 PolarHBondContact O-N 2.97Å; F395-R398 PolarHBondContact O-N 2.87Å; R398-Q400 VanDerWaalsContact C-N 3.35Å; R398-Q400 PolarHBondContact O-N 3.46Å; R398-H402 CarbonylContact O-C 3.51Å; R398-H402 VanDerWaalsContact O-C 3.31Å; R398-H402 VanDerWaalsContact O-CA 3.28Å; R398-H402 WeakPolarHBondContact O-CA 3.42Å; R398-H402 WeakPolarHBondContact O-CB 3.4Å; R398-H402 PolarHBondContact O-N 3.45Å
399	L	73.3	Confident	60.8	Low	86 Å²	86	112.4 Å²	112.4	45%	0.45	57%	0.565	S	S	.	*	H	α-helix	trans	-62.1	-39.1	178.4	-174.9	61.6	0	0	0	112.9	F395 S396	F395-L399 HydrophobicContact CE1-CD2 4.46Å; F395-L399 WeakPolarHBondContact O-CB 3.25Å; F395-L399 PolarHBondContact O-N 2.85Å; S396-L399 PolarHBondContact O-N 3.22Å
400	Q	65.5	Low	60.2	Low	158 Å²	158	110.8 Å²	110.8	74%	0.738	57%	0.568	S	S	*	*	H	α-helix	trans	-92	-19.1	-171.6	-163	168.2	27.5	0	0	114.5	S396 H397 R398	S396-Q400 WeakPolarHBondContact O-CB 3.39Å; S396-Q400 PolarHBondContact O-N 3.11Å; H397-Q400 PolarHBondContact O-N 2.84Å; R398-Q400 VanDerWaalsContact C-N 3.35Å; R398-Q400 PolarHBondContact O-N 3.46Å
401	H	62.2	Low	58.8	Low	116 Å²	116	109.9 Å²	109.9	54%	0.537	57%	0.574	S	S	.	*	H	α-helix	trans	-120.4	-16.4	178.5	-70.4	-87.2	0	0	0	115.1	H397	H397-H401 AromaticContact CE1-CD2 3.12Å; H397-H401 PolarHBondContact CE1-CD2 2.92Å; H397-H401 AromaticContact CE1-CG 3.54Å; H397-H401 AromaticContact CE1-NE2 3.68Å; H397-H401 AromaticContact ND1-CD2 3.17Å; H397-H401 PolarHBondContact ND1-CD2 3.41Å; H397-H401 AromaticContact ND1-CG 4Å; H397-H401 AromaticContact ND1-NE2 3.76Å; H397-H401 WeakPolarHBondContact O-CB 3.4Å; H397-H401 PolarHBondContact O-N 3.33Å
402	H	63.3	Low	58.1	Low	63 Å²	63	108.8 Å²	108.8	29%	0.292	58%	0.579	S	S	.	*			trans	-125.8	59.4	-179.5	-63.7	-74	0	0	0	110.6	C384 R398 R404	C384-H402 WeakPolarHBondContact CB-NE2 3.14Å; C384-H402 PolarHBondContact SG-NE2 3.03Å; R398-H402 CarbonylContact O-C 3.51Å; R398-H402 VanDerWaalsContact O-C 3.31Å; R398-H402 VanDerWaalsContact O-CA 3.28Å; R398-H402 WeakPolarHBondContact O-CA 3.42Å; R398-H402 WeakPolarHBondContact O-CB 3.4Å; R398-H402 PolarHBondContact O-N 3.45Å; H402-R404 PolarHBondContact O-N 3.1Å; H402-R404 VanDerWaalsContact O-N 3.11Å
403	H	57.1	Low	57.1	Low	170 Å²	170	111.7 Å²	111.7	79%	0.787	59%	0.589	S	S	*	*			trans	-56.9	115.6	166.8	-122.4	-93.2	0	0	0	109
404	R	50.5	Low	55.9	Low	233 Å²	233	115.7 Å²	115.7	88%	0.879	61%	0.612	S	S	*	*			trans	-79.6	145.7	175.6	-158	177.3	-169.7	-173.8	2.5	108.6	H402	H402-R404 PolarHBondContact O-N 3.1Å; H402-R404 VanDerWaalsContact O-N 3.11Å
405	E	39.8	Very low	55.3	Low	138 Å²	138	119.6 Å²	119.6	65%	0.645	64%	0.637	S	S	*	*			trans	-55.1	139.4	-179.6	-67.9	-164.5	138.7	0	0	112.3	K407	E405-K407 PolarHBondContact O-N 3.49Å; E405-K407 IonicContact OE2-NZ 2.72Å; E405-K407 PolarHBondContact OE2-NZ 3.09Å
406	P	49.9	Very low	54.9	Low	130 Å²	130	123 Å²	123	84%	0.844	65%	0.651	S	S	*	*			trans	-73.7	106.9	169.8	30.7	-32.2	0	0	0	109.8
407	K	40.9	Very low	54.8	Low	163 Å²	163	124.6 Å²	124.6	71%	0.709	65%	0.653	S	S	*	*			trans	-124.4	108.6	164.4	-80.1	178	175.2	137.5	0	109.7	E405	E405-K407 PolarHBondContact O-N 3.49Å; E405-K407 IonicContact OE2-NZ 2.72Å; E405-K407 PolarHBondContact OE2-NZ 3.09Å
408	A	46.2	Very low	54.8	Low	104 Å²	104	127 Å²	127	86%	0.86	66%	0.664	S	S	*	*			trans	19.1	106.3	165.9	0	0	0	0	0	117.4
409	Q	36.5	Very low	55.2	Low	182 Å²	182	129.9 Å²	129.9	85%	0.85	68%	0.679	S	S	*	*			trans	-119.7	138.3	151.4	-69.2	-172.3	-15.4	0	0	108.5
410	P	46.2	Very low	55.4	Low	116 Å²	116	126.4 Å²	126.4	75%	0.753	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-67.3	160.2	175.7	29.7	-34.9	0	0	0	111.2
411	P	40	Very low	56	Low	121 Å²	121	127.8 Å²	127.8	79%	0.786	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-62.7	140.1	-175	25.1	-34.8	0	0	0	112.4
412	P	44.8	Very low	56.5	Low	115 Å²	115	128.8 Å²	128.8	75%	0.747	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-66.3	154.5	174.7	29.1	-35	0	0	0	111.3
413	P	49.9	Very low	57.3	Low	107 Å²	107	127.7 Å²	127.7	70%	0.695	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-62.3	156	-178.5	26.8	-35.6	0	0	0	112	T415	P413-T415 PolarHBondContact O-N 3.01Å
414	P	46.8	Very low	58.2	Low	127 Å²	127	127.6 Å²	127.6	83%	0.825	67%	0.672	S	S	*	*			trans	-66	96.2	-175.5	27	-35.2	0	0	0	111.5	K416	P414-K416 PolarHBondContact O-N 3.45Å
415	T	60.7	Low	59.6	Low	99 Å²	99	120.5 Å²	120.5	61%	0.607	65%	0.646	S	S	*	*			trans	-52.6	134.9	160	64.7	0	0	0	0	108	P413 M417	P413-T415 PolarHBondContact O-N 3.01Å; T415-M417 PolarHBondContact O-N 2.92Å
416	K	60.7	Low	61.6	Low	190 Å²	190	118.1 Å²	118.1	83%	0.826	64%	0.635	S	S	*	*			trans	-73.2	83	-176.1	-74.6	-176.3	178.2	175.8	0	109.8	P414 H418	P414-K416 PolarHBondContact O-N 3.45Å; K416-H418 PolarHBondContact O-CD2 3.17Å; K416-H418 VanDerWaalsContact O-CD2 3.27Å; K416-H418 PolarHBondContact O-N 3.43Å; K416-H418 VanDerWaalsContact O-N 3.12Å
417	M	71.4	Confident	63.1	Low	99 Å²	99	112.8 Å²	112.8	49%	0.488	60%	0.6	S	S	.	*			trans	-54.8	118	-180	-70.3	177.7	62.9	0	0	109.9	T415 K419 E426	T415-M417 PolarHBondContact O-N 2.92Å; M417-K419 VanDerWaalsContact C-N 3.32Å; M417-K419 PolarHBondContact O-N 3.39Å; M417-E426 HydrophobicContact CB-CB 4.45Å; M417-E426 HydrophobicContact CE-CB 3.77Å
418	H	74.1	Confident	65	Low	66 Å²	66	108.5 Å²	108.5	31%	0.306	60%	0.595	S	S	.	*			trans	-77.3	86.3	-177.3	-71.6	-80.4	0	0	0	108.6	K416 T427 Q430 L433	K416-H418 PolarHBondContact O-CD2 3.17Å; K416-H418 VanDerWaalsContact O-CD2 3.27Å; K416-H418 PolarHBondContact O-N 3.43Å; K416-H418 VanDerWaalsContact O-N 3.12Å; H418-T427 WeakPolarHBondContact CB-O 2.97Å; H418-T427 PolarHBondContact N-O 2.98Å; H418-T427 PolarHBondContact O-N 3.2Å; H418-Q430 PolarHBondContact CD2-N 3.21Å; H418-Q430 PolarHBondContact ND1-OE1 3.04Å; H418-L433 HydrophobicContact CB-CB 3.88Å; H418-L433 HydrophobicContact CB-CD2 3.85Å; H418-L433 HydrophobicContact CB-CG 4.45Å
419	K	78.2	Confident	66.6	Low	144 Å²	144	109.1 Å²	109.1	63%	0.626	58%	0.58	S	S	*	*			trans	-77.9	142.5	179.7	67.4	-174.2	175.7	-173.2	0	113.7	M417 E426 L433	M417-K419 VanDerWaalsContact C-N 3.32Å; M417-K419 PolarHBondContact O-N 3.39Å; K419-E426 HydrophobicContact CB-CB 4.3Å; K419-E426 HydrophobicContact CB-CG 3.6Å; K419-E426 WeakPolarHBondContact CB-OE1 3.31Å; K419-E426 WeakPolarHBondContact CD-OE1 3.47Å; K419-L433 WeakPolarHBondContact O-CD2 3.37Å
420	C	79.5	Confident	68.6	Low	13 Å²	13	104.6 Å²	104.6	9%	0.088	56%	0.559	C	S	.	*			trans	-74.2	131.4	178.4	-179.6	0	0	0	0	111.8	F422 C423 Y425 L433 H436 L437 H441	C420-F422 PolarHBondContact O-N 3.09Å; C420-F422 VanDerWaalsContact O-N 3.09Å; C420-F422 PolarHBondContact SG-N 2.83Å; C420-C423 WeakPolarHBondContact CB-O 3.18Å; C420-C423 VanDerWaalsContact O-O 3.08Å; C420-Y425 WeakPolarHBondContact CB-O 3.46Å; C420-Y425 PolarHBondContact N-O 3.35Å; C420-L433 HydrophobicContact CB-CD1 3.69Å; C420-H436 PolarHBondContact SG-NE2 3.1Å; C420-L437 WeakPolarHBondContact SG-CD2 3.46Å; C420-H441 PolarHBondContact SG-CD2 3.25Å; C420-H441 PolarHBondContact SG-NE2 3.16Å
421	K	76.3	Confident	70.1	Confident	187 Å²	187	101.3 Å²	101.3	81%	0.813	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-6.4	176	-168.6	169.3	-179.8	177.8	0	113.8
422	F	72.9	Confident	71.9	Confident	138 Å²	138	97.5 Å²	97.5	61%	0.605	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.6	-2.2	-168.5	-55.7	-74.7	0	0	0	115	C420 L437 H441	C420-F422 PolarHBondContact O-N 3.09Å; C420-F422 VanDerWaalsContact O-N 3.09Å; C420-F422 PolarHBondContact SG-N 2.83Å; F422-L437 HydrophobicContact CD2-CD2 3.72Å; F422-L437 HydrophobicContact CE2-CD2 4.1Å; F422-H441 HydrophobicContact CB-CB 4.19Å; F422-H441 VanDerWaalsContact CB-CE1 3.47Å; F422-H441 WeakPolarHBondContact CB-CE1 3.46Å; F422-H441 VanDerWaalsContact CB-CG 3.49Å; F422-H441 VanDerWaalsContact CB-ND1 3.26Å; F422-H441 WeakPolarHBondContact CB-ND1 3.39Å; F422-H441 HydrophobicContact CD2-CB 3.92Å; F422-H441 HydrophobicContact CG-CB 4.21Å; F422-H441 PolarHBondContact O-CE1 3.31Å; F422-H441 VanDerWaalsContact O-CE1 3.28Å
423	C	79.9	Confident	73.6	Confident	39 Å²	39	92.5 Å²	92.5	26%	0.264	49%	0.486	S	S	.	.	S	Bend	trans	-167.5	174.7	167.4	73.2	0	0	0	0	110.2	C420 Y425 H436 H441	C420-C423 WeakPolarHBondContact CB-O 3.18Å; C420-C423 VanDerWaalsContact O-O 3.08Å; C423-Y425 PolarHBondContact O-N 2.32Å; C423-H436 PolarHBondContact SG-CE1 3.11Å; C423-H436 PolarHBondContact SG-NE2 3.44Å; C423-H441 PolarHBondContact SG-NE2 2.99Å
424	D	77.1	Confident	74.8	Confident	168 Å²	168	90.9 Å²	90.9	90%	0.898	47%	0.471	S	S	*	.	S	Bend	trans	-79	33.3	-174	-34.6	-73.8	0	0	0	113.4
425	Y	79.4	Confident	76	Confident	84 Å²	84	91 Å²	91	33%	0.329	46%	0.455	S	S	.	.			trans	-93.6	119.8	175.7	-179.8	-97.2	0	0	0	110.2	C420 C423 T427 H436	C420-Y425 WeakPolarHBondContact CB-O 3.46Å; C420-Y425 PolarHBondContact N-O 3.35Å; C423-Y425 PolarHBondContact O-N 2.32Å; Y425-T427 HydrophobicContact CE1-CG2 3.76Å; Y425-H436 HydrophobicContact CD1-CB 3.55Å; Y425-H436 AromaticContact CD1-CD2 3.57Å; Y425-H436 AromaticContact CD1-CG 3.26Å; Y425-H436 AromaticContact CD1-ND1 3.68Å; Y425-H436 HydrophobicContact CE1-CB 3.49Å; Y425-H436 VanDerWaalsContact CE1-CB 3.49Å; Y425-H436 AromaticContact CE1-CG 3.74Å; Y425-H436 HydrophobicContact CG-CB 4.41Å; Y425-H436 AromaticContact CG-CD2 3.97Å; Y425-H436 AromaticContact CG-CG 3.73Å; Y425-H436 AromaticContact CG-ND1 3.66Å
426	E	81.8	Confident	76.7	Confident	89 Å²	89	88 Å²	88	42%	0.416	43%	0.434	S	S	.	.			trans	-123.7	152.1	177.6	-47.7	-158.3	146.4	0	0	110.7	M417 K419	M417-E426 HydrophobicContact CB-CB 4.45Å; M417-E426 HydrophobicContact CE-CB 3.77Å; K419-E426 HydrophobicContact CB-CB 4.3Å; K419-E426 HydrophobicContact CB-CG 3.6Å; K419-E426 WeakPolarHBondContact CB-OE1 3.31Å; K419-E426 WeakPolarHBondContact CD-OE1 3.47Å
427	T	82.1	Confident	77.3	Confident	17 Å²	17	80.8 Å²	80.8	10%	0.104	41%	0.405	C	S	.	.			trans	-160.1	150.5	-177.4	179.7	0	0	0	0	111.5	H418 Y425 E429 L432 L433	H418-T427 WeakPolarHBondContact CB-O 2.97Å; H418-T427 PolarHBondContact N-O 2.98Å; H418-T427 PolarHBondContact O-N 3.2Å; Y425-T427 HydrophobicContact CE1-CG2 3.76Å; T427-E429 VanDerWaalsContact C-N 3.27Å; T427-E429 WeakPolarHBondContact CG2-O 3.46Å; T427-E429 PolarHBondContact O-N 3.3Å; T427-L432 HydrophobicContact CG2-CB 3.8Å; T427-L432 WeakPolarHBondContact OG1-CB 3.41Å; T427-L432 WeakPolarHBondContact OG1-CD1 3.47Å; T427-L433 HydrophobicContact CG2-CB 3.86Å
428	A	80.8	Confident	77.3	Confident	73 Å²	73	79 Å²	79	60%	0.603	40%	0.396	S	S	*	.	S	Bend	trans	-68.5	-22.1	179.1	0	0	0	0	0	113.8
429	E	79.2	Confident	76.9	Confident	118 Å²	118	78 Å²	78	55%	0.551	40%	0.4	S	S	*	.			trans	-108.4	125.7	-179.1	-63.4	-169.7	168.1	0	0	113.2	T427 G431 L432 L433	T427-E429 VanDerWaalsContact C-N 3.27Å; T427-E429 WeakPolarHBondContact CG2-O 3.46Å; T427-E429 PolarHBondContact O-N 3.3Å; E429-G431 PolarHBondContact O-N 3.39Å; E429-G431 VanDerWaalsContact O-N 3.12Å; E429-L432 HydrophobicContact CB-CB 4.09Å; E429-L432 HydrophobicContact CB-CD1 3.93Å; E429-L432 HydrophobicContact CB-CG 3.83Å; E429-L432 HydrophobicContact CG-CD1 4.09Å; E429-L432 HydrophobicContact CG-CG 4.36Å; E429-L432 WeakPolarHBondContact O-CB 3.49Å; E429-L432 PolarHBondContact O-N 3Å; E429-L432 WeakPolarHBondContact OE2-CG 3.41Å; E429-L433 PolarHBondContact O-N 2.4Å
430	Q	79	Confident	76.3	Confident	86 Å²	86	75.4 Å²	75.4	40%	0.402	40%	0.396	S	S	.	.	H	α-helix	trans	-56.7	-27.1	168.1	-176.2	64.4	-10.2	0	0	112.8	H418 N434	H418-Q430 PolarHBondContact CD2-N 3.21Å; H418-Q430 PolarHBondContact ND1-OE1 3.04Å; Q430-N434 VanDerWaalsContact O-CB 3.3Å; Q430-N434 WeakPolarHBondContact O-CB 3.33Å; Q430-N434 VanDerWaalsContact O-CG 3.26Å; Q430-N434 PolarHBondContact O-N 2.9Å; Q430-N434 PolarHBondContact O-ND2 3.17Å; Q430-N434 VanDerWaalsContact O-ND2 3.14Å
431	G	77.9	Confident	75.7	Confident	47 Å²	47	77.6 Å²	77.6	49%	0.485	41%	0.405	S	S	.	.	H	α-helix	trans	-65.7	-40.7	172.7	0	0	0	0	0	113.1	E429 R435	E429-G431 PolarHBondContact O-N 3.39Å; E429-G431 VanDerWaalsContact O-N 3.12Å; G431-R435 WeakPolarHBondContact O-CB 3.49Å; G431-R435 PolarHBondContact O-N 2.84Å
432	L	78.1	Confident	75	Confident	41 Å²	41	70.5 Å²	70.5	22%	0.215	38%	0.379	C	S	.	.	H	α-helix	trans	-70.9	-40.3	174.3	-64.6	174.7	0	0	0	111.3	T427 E429 R435 H436	T427-L432 HydrophobicContact CG2-CB 3.8Å; T427-L432 WeakPolarHBondContact OG1-CB 3.41Å; T427-L432 WeakPolarHBondContact OG1-CD1 3.47Å; E429-L432 HydrophobicContact CB-CB 4.09Å; E429-L432 HydrophobicContact CB-CD1 3.93Å; E429-L432 HydrophobicContact CB-CG 3.83Å; E429-L432 HydrophobicContact CG-CD1 4.09Å; E429-L432 HydrophobicContact CG-CG 4.36Å; E429-L432 WeakPolarHBondContact O-CB 3.49Å; E429-L432 PolarHBondContact O-N 3Å; E429-L432 WeakPolarHBondContact OE2-CG 3.41Å; L432-R435 VanDerWaalsContact CD2-CZ 3.44Å; L432-R435 CarbonylContact O-C 3.56Å; L432-R435 WeakPolarHBondContact O-CB 3.33Å; L432-R435 PolarHBondContact O-N 2.86Å; L432-H436 PolarHBondContact O-N 2.7Å
433	L	79.3	Confident	74.4	Confident	11 Å²	11	73.5 Å²	73.5	6%	0.058	39%	0.392	C	S	.	.	H	α-helix	trans	-62	-48.1	174.2	175.4	60.8	0	0	0	111	H418 K419 C420 T427 E429 R435 H436 L437	H418-L433 HydrophobicContact CB-CB 3.88Å; H418-L433 HydrophobicContact CB-CD2 3.85Å; H418-L433 HydrophobicContact CB-CG 4.45Å; K419-L433 WeakPolarHBondContact O-CD2 3.37Å; C420-L433 HydrophobicContact CB-CD1 3.69Å; T427-L433 HydrophobicContact CG2-CB 3.86Å; E429-L433 PolarHBondContact O-N 2.4Å; L433-R435 VanDerWaalsContact C-N 3.25Å; L433-R435 PolarHBondContact O-N 2.77Å; L433-H436 CarbonylContact O-C 3.58Å; L433-H436 WeakPolarHBondContact O-CA 3.26Å; L433-H436 WeakPolarHBondContact O-CB 3.1Å; L433-H436 PolarHBondContact O-N 3.46Å; L433-L437 HydrophobicContact CD1-CD1 4.11Å; L433-L437 HydrophobicContact CD1-CD2 4.47Å; L433-L437 HydrophobicContact CD1-CG 3.92Å; L433-L437 HydrophobicContact CD2-CD1 4.21Å; L433-L437 HydrophobicContact CG-CD1 3.81Å; L433-L437 HydrophobicContact CG-CG 4.13Å; L433-L437 WeakPolarHBondContact O-CG 3.39Å; L433-L437 PolarHBondContact O-N 3.39Å
434	N	75	Confident	73.4	Confident	73 Å²	73	75.9 Å²	75.9	39%	0.39	41%	0.408	S	S	.	.	H	α-helix	trans	-57.4	-41.7	175.2	-78.2	-33.6	0	0	0	111.1	Q430 H436 L437 L438	Q430-N434 VanDerWaalsContact O-CB 3.3Å; Q430-N434 WeakPolarHBondContact O-CB 3.33Å; Q430-N434 VanDerWaalsContact O-CG 3.26Å; Q430-N434 PolarHBondContact O-N 2.9Å; Q430-N434 PolarHBondContact O-ND2 3.17Å; Q430-N434 VanDerWaalsContact O-ND2 3.14Å; N434-H436 VanDerWaalsContact C-N 3.28Å; N434-H436 PolarHBondContact O-N 3.31Å; N434-L437 PolarHBondContact O-N 3.01Å; N434-L438 VanDerWaalsContact O-CB 3.23Å; N434-L438 WeakPolarHBondContact O-CB 3.43Å; N434-L438 WeakPolarHBondContact O-CD1 3.4Å; N434-L438 WeakPolarHBondContact O-CG 3.46Å; N434-L438 PolarHBondContact O-N 3.24Å
435	R	72.3	Confident	72.9	Confident	130 Å²	130	70.9 Å²	70.9	49%	0.491	38%	0.379	S	S	.	.	H	α-helix	trans	-64.5	-27.9	174	-169.7	175.6	74.6	-175.9	5.7	113.1	G431 L432 L433 A439 R457	G431-R435 WeakPolarHBondContact O-CB 3.49Å; G431-R435 PolarHBondContact O-N 2.84Å; L432-R435 VanDerWaalsContact CD2-CZ 3.44Å; L432-R435 CarbonylContact O-C 3.56Å; L432-R435 WeakPolarHBondContact O-CB 3.33Å; L432-R435 PolarHBondContact O-N 2.86Å; L433-R435 VanDerWaalsContact C-N 3.25Å; L433-R435 PolarHBondContact O-N 2.77Å; R435-A439 WeakPolarHBondContact O-CB 3.24Å; R435-R457 PolarHBondContact O-NH1 3.25Å; R435-R457 VanDerWaalsContact O-NH1 3.11Å; R435-R457 PolarHBondContact O-NH2 3.34Å
436	H	75.4	Confident	72.4	Confident	34 Å²	34	70.5 Å²	70.5	16%	0.157	39%	0.387	C	S	.	.	H	α-helix	trans	-79	-46.4	173.9	170.7	78.1	0	0	0	112.6	C420 C423 Y425 L432 L433 N434 L438 A439 V440 H441	C420-H436 PolarHBondContact SG-NE2 3.1Å; C423-H436 PolarHBondContact SG-CE1 3.11Å; C423-H436 PolarHBondContact SG-NE2 3.44Å; Y425-H436 HydrophobicContact CD1-CB 3.55Å; Y425-H436 AromaticContact CD1-CD2 3.57Å; Y425-H436 AromaticContact CD1-CG 3.26Å; Y425-H436 AromaticContact CD1-ND1 3.68Å; Y425-H436 HydrophobicContact CE1-CB 3.49Å; Y425-H436 VanDerWaalsContact CE1-CB 3.49Å; Y425-H436 AromaticContact CE1-CG 3.74Å; Y425-H436 HydrophobicContact CG-CB 4.41Å; Y425-H436 AromaticContact CG-CD2 3.97Å; Y425-H436 AromaticContact CG-CG 3.73Å; Y425-H436 AromaticContact CG-ND1 3.66Å; L432-H436 PolarHBondContact O-N 2.7Å; L433-H436 CarbonylContact O-C 3.58Å; L433-H436 WeakPolarHBondContact O-CA 3.26Å; L433-H436 WeakPolarHBondContact O-CB 3.1Å; L433-H436 PolarHBondContact O-N 3.46Å; N434-H436 VanDerWaalsContact C-N 3.28Å; N434-H436 PolarHBondContact O-N 3.31Å; H436-L438 VanDerWaalsContact C-N 3.26Å; H436-L438 PolarHBondContact O-N 3.02Å; H436-A439 WeakPolarHBondContact O-CA 3.36Å; H436-A439 VanDerWaalsContact O-CB 3.27Å; H436-A439 WeakPolarHBondContact O-CB 3.27Å; H436-A439 PolarHBondContact O-N 3.28Å; H436-V440 WeakPolarHBondContact CE1-CG2 3.46Å; H436-V440 PolarHBondContact O-N 3.15Å; H436-H441 AromaticContact CD2-CD2 3.95Å; H436-H441 AromaticContact CD2-NE2 3.94Å; H436-H441 AromaticContact NE2-CD2 3.04Å; H436-H441 PolarHBondContact NE2-CD2 3.37Å; H436-H441 AromaticContact NE2-CE1 3.51Å; H436-H441 AromaticContact NE2-NE2 2.32Å; H436-H441 PolarHBondContact NE2-NE2 3.08Å
437	L	74.7	Confident	71.9	Confident	40 Å²	40	69.2 Å²	69.2	21%	0.209	38%	0.381	C	S	.	.	I	π-helix	trans	-54.7	-44.8	173.7	-70.2	169.3	0	0	0	110.9	C420 F422 L433 N434 A439 H441 S442	C420-L437 WeakPolarHBondContact SG-CD2 3.46Å; F422-L437 HydrophobicContact CD2-CD2 3.72Å; F422-L437 HydrophobicContact CE2-CD2 4.1Å; L433-L437 HydrophobicContact CD1-CD1 4.11Å; L433-L437 HydrophobicContact CD1-CD2 4.47Å; L433-L437 HydrophobicContact CD1-CG 3.92Å; L433-L437 HydrophobicContact CD2-CD1 4.21Å; L433-L437 HydrophobicContact CG-CD1 3.81Å; L433-L437 HydrophobicContact CG-CG 4.13Å; L433-L437 WeakPolarHBondContact O-CG 3.39Å; L433-L437 PolarHBondContact O-N 3.39Å; N434-L437 PolarHBondContact O-N 3.01Å; L437-A439 PolarHBondContact O-N 2.84Å; L437-H441 PolarHBondContact O-N 3.37Å; L437-S442 PolarHBondContact O-N 2.65Å
438	L	69.9	Low	71.5	Confident	60 Å²	60	73.1 Å²	73.1	31%	0.314	40%	0.4	S	S	.	.	I	π-helix	trans	-69.6	-0.6	173.9	-70.7	166.6	0	0	0	114.6	N434 H436 S442 P446 R457	N434-L438 VanDerWaalsContact O-CB 3.23Å; N434-L438 WeakPolarHBondContact O-CB 3.43Å; N434-L438 WeakPolarHBondContact O-CD1 3.4Å; N434-L438 WeakPolarHBondContact O-CG 3.46Å; N434-L438 PolarHBondContact O-N 3.24Å; H436-L438 VanDerWaalsContact C-N 3.26Å; H436-L438 PolarHBondContact O-N 3.02Å; L438-S442 WeakPolarHBondContact CA-OG 3.13Å; L438-P446 HydrophobicContact CD2-CG 4.21Å; L438-R457 PolarHBondContact O-NH2 3.34Å
439	A	67.1	Low	71.3	Confident	46 Å²	46	69.6 Å²	69.6	38%	0.38	37%	0.371	S	S	.	.	I	π-helix	trans	-110.9	-53.1	-176.9	0	0	0	0	0	112.1	R435 H436 L437 R457	R435-A439 WeakPolarHBondContact O-CB 3.24Å; H436-A439 WeakPolarHBondContact O-CA 3.36Å; H436-A439 VanDerWaalsContact O-CB 3.27Å; H436-A439 WeakPolarHBondContact O-CB 3.27Å; H436-A439 PolarHBondContact O-N 3.28Å; L437-A439 PolarHBondContact O-N 2.84Å; A439-R457 VanDerWaalsContact N-NH2 3.15Å
440	V	65.3	Low	70.9	Confident	90 Å²	90	70.7 Å²	70.7	55%	0.545	39%	0.385	S	S	.	.	I	π-helix	trans	-99.9	-30.3	-167.7	-173.5	0	0	0	0	111.5	H436	H436-V440 WeakPolarHBondContact CE1-CG2 3.46Å; H436-V440 PolarHBondContact O-N 3.15Å
441	H	66.3	Low	70.5	Confident	58 Å²	58	72 Å²	72	27%	0.269	39%	0.391	S	S	.	.	I	π-helix	trans	-114.7	-43.6	-166.1	-55.1	-63.9	0	0	0	113.3	C420 F422 C423 H436 L437	C420-H441 PolarHBondContact SG-CD2 3.25Å; C420-H441 PolarHBondContact SG-NE2 3.16Å; F422-H441 HydrophobicContact CB-CB 4.19Å; F422-H441 VanDerWaalsContact CB-CE1 3.47Å; F422-H441 WeakPolarHBondContact CB-CE1 3.46Å; F422-H441 VanDerWaalsContact CB-CG 3.49Å; F422-H441 VanDerWaalsContact CB-ND1 3.26Å; F422-H441 WeakPolarHBondContact CB-ND1 3.39Å; F422-H441 HydrophobicContact CD2-CB 3.92Å; F422-H441 HydrophobicContact CG-CB 4.21Å; F422-H441 PolarHBondContact O-CE1 3.31Å; F422-H441 VanDerWaalsContact O-CE1 3.28Å; C423-H441 PolarHBondContact SG-NE2 2.99Å; H436-H441 AromaticContact CD2-CD2 3.95Å; H436-H441 AromaticContact CD2-NE2 3.94Å; H436-H441 AromaticContact NE2-CD2 3.04Å; H436-H441 PolarHBondContact NE2-CD2 3.37Å; H436-H441 AromaticContact NE2-CE1 3.51Å; H436-H441 AromaticContact NE2-NE2 2.32Å; H436-H441 PolarHBondContact NE2-NE2 3.08Å; L437-H441 PolarHBondContact O-N 3.37Å
442	S	61.5	Low	70	Confident	38 Å²	38	72.4 Å²	72.4	27%	0.266	39%	0.386	S	S	.	.			trans	-84.7	124.9	176.3	88.1	0	0	0	0	111.6	L437 L438 S444	L437-S442 PolarHBondContact O-N 2.65Å; L438-S442 WeakPolarHBondContact CA-OG 3.13Å; S442-S444 PolarHBondContact O-N 3.15Å; S442-S444 PolarHBondContact OG-O 2.82Å; S442-S444 VanDerWaalsContact OG-O 3.14Å
443	K	60.3	Low	69.6	Low	202 Å²	202	73.2 Å²	73.2	88%	0.878	40%	0.404	S	S	*	.			trans	-76.3	-5.2	160.5	-64.9	170	-174.9	166	0	112.2	F445	K443-F445 WeakPolarHBondContact O-CD2 3.45Å; K443-F445 PolarHBondContact O-N 2.72Å
444	S	58.4	Low	69.3	Low	88 Å²	88	78.6 Å²	78.6	62%	0.615	43%	0.427	S	S	*	.			trans	-79.8	95.4	174.6	-171.9	0	0	0	0	110.4	S442	S442-S444 PolarHBondContact O-N 3.15Å; S442-S444 PolarHBondContact OG-O 2.82Å; S442-S444 VanDerWaalsContact OG-O 3.14Å
445	F	66.9	Low	69.3	Low	64 Å²	64	76 Å²	76	28%	0.281	42%	0.418	S	S	.	.			trans	-88.9	129	171.3	-69.4	-89.8	0	0	0	109.6	K443 H447 I448 G455 R457	K443-F445 WeakPolarHBondContact O-CD2 3.45Å; K443-F445 PolarHBondContact O-N 2.72Å; F445-H447 PolarHBondContact O-N 2.98Å; F445-I448 WeakPolarHBondContact O-CG1 3.49Å; F445-G455 VanDerWaalsContact CG-C 3.48Å; F445-G455 VanDerWaalsContact CG-CA 3.43Å; F445-R457 HydrophobicContact CD1-CG 4.28Å; F445-R457 HydrophobicContact CE1-CG 4.21Å
446	P	69.4	Low	69.6	Low	75 Å²	75	71.7 Å²	71.7	49%	0.487	40%	0.402	S	S	.	.	S	Bend	trans	-62.2	-18.3	-178.4	-25.2	35.1	0	0	0	114.6	L438	L438-P446 HydrophobicContact CD2-CG 4.21Å
447	H	70.8	Confident	69.7	Low	63 Å²	63	73.5 Å²	73.5	29%	0.292	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	86.5	-173.4	-60.6	-40.1	0	0	0	110.9	F445 F456 P459 L462	F445-H447 PolarHBondContact O-N 2.98Å; H447-F456 HydrophobicContact CB-CB 4.45Å; H447-F456 PolarHBondContact N-O 3.27Å; H447-F456 WeakPolarHBondContact O-CB 3.42Å; H447-F456 PolarHBondContact O-N 2.84Å; H447-P459 VanDerWaalsContact CD2-CD 3.49Å; H447-P459 WeakPolarHBondContact CD2-CD 3.44Å; H447-P459 VanDerWaalsContact CD2-N 3.26Å; H447-P459 WeakPolarHBondContact NE2-CD 3.33Å; H447-L462 HydrophobicContact CB-CB 4.09Å; H447-L462 HydrophobicContact CB-CD2 3.84Å
448	I	74.8	Confident	69.8	Low	98 Å²	98	75.7 Å²	75.7	50%	0.503	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	137.1	-178.7	-53	179.8	0	0	0	111	F445 V450	F445-I448 WeakPolarHBondContact O-CG1 3.49Å; I448-V450 PolarHBondContact O-N 3.18Å
449	C	75.3	Confident	70.1	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	43%	0.426	C	S	.	.			trans	-76.5	114.2	169.8	176.7	0	0	0	0	111.1	E451 C452 G453 K454 F456 L462 H465 M466 H469	C449-E451 PolarHBondContact O-N 2.79Å; C449-C452 PolarHBondContact O-N 3.32Å; C449-C452 VanDerWaalsContact SG-SG 3.6Å; C449-G453 WeakPolarHBondContact O-CA 3.38Å; C449-G453 PolarHBondContact O-N 2.88Å; C449-K454 HydrophobicContact CB-CB 4.45Å; C449-K454 WeakPolarHBondContact CB-O 3.04Å; C449-K454 PolarHBondContact N-O 3.02Å; C449-F456 HydrophobicContact CB-CE2 4.19Å; C449-L462 HydrophobicContact CB-CD1 3.75Å; C449-H465 PolarHBondContact SG-NE2 3.2Å; C449-M466 HydrophobicContact CB-SD 4.22Å; C449-H469 VanDerWaalsContact SG-CD2 3.56Å; C449-H469 PolarHBondContact SG-NE2 3.45Å
450	V	71.8	Confident	70.7	Confident	141 Å²	141	77.9 Å²	77.9	86%	0.855	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-34.9	179.6	-174.4	0	0	0	0	112.4	I448 C452	I448-V450 PolarHBondContact O-N 3.18Å; V450-C452 PolarHBondContact O-N 3.23Å
451	E	69.3	Low	71.3	Confident	112 Å²	112	76.8 Å²	76.8	52%	0.523	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-12.1	-173.4	-63.3	171.6	131.4	0	0	114.3	C449 M466 H469	C449-E451 PolarHBondContact O-N 2.79Å; E451-M466 HydrophobicContact CG-CE 4.27Å; E451-M466 WeakPolarHBondContact OE2-CE 3.49Å; E451-H469 WeakPolarHBondContact OE2-CB 3.5Å; E451-H469 IonicContact OE2-CD2 3.42Å; E451-H469 PolarHBondContact OE2-CD2 3.11Å; E451-H469 IonicContact OE2-CG 3.78Å
452	C	68.9	Low	72.1	Confident	56 Å²	56	75.5 Å²	75.5	38%	0.378	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.8	8.9	-179.7	74.1	0	0	0	0	116.2	C449 V450 K454 H465 H469	C449-C452 PolarHBondContact O-N 3.32Å; C449-C452 VanDerWaalsContact SG-SG 3.6Å; V450-C452 PolarHBondContact O-N 3.23Å; C452-K454 PolarHBondContact O-N 3.3Å; C452-K454 VanDerWaalsContact O-N 3.1Å; C452-K454 VanDerWaalsContact SG-CG 3.59Å; C452-H465 PolarHBondContact SG-NE2 3.15Å; C452-H469 PolarHBondContact SG-NE2 3.28Å; C452-H469 VanDerWaalsContact SG-NE2 3.44Å
453	G	68.3	Low	72.9	Confident	58 Å²	58	80.8 Å²	80.8	60%	0.598	43%	0.434	S	S	*	.			trans	67.8	3.1	179.2	0	0	0	0	0	115.6	C449 G455	C449-G453 WeakPolarHBondContact O-CA 3.38Å; C449-G453 PolarHBondContact O-N 2.88Å; G453-G455 PolarHBondContact O-N 3.28Å
454	K	72.8	Confident	73.8	Confident	125 Å²	125	75.2 Å²	75.2	54%	0.543	41%	0.41	S	S	.	.			trans	-72.5	125.1	-179.4	-73.7	-176.3	179.7	-178.8	0	111.7	C449 C452 F456	C449-K454 HydrophobicContact CB-CB 4.45Å; C449-K454 WeakPolarHBondContact CB-O 3.04Å; C449-K454 PolarHBondContact N-O 3.02Å; C452-K454 PolarHBondContact O-N 3.3Å; C452-K454 VanDerWaalsContact O-N 3.1Å; C452-K454 VanDerWaalsContact SG-CG 3.59Å; K454-F456 HydrophobicContact CB-CE2 3.66Å; K454-F456 HydrophobicContact CB-CZ 3.94Å; K454-F456 WeakPolarHBondContact O-CD2 3.48Å; K454-F456 VanDerWaalsContact O-CE2 3.23Å; K454-F456 WeakPolarHBondContact O-CE2 3.47Å
455	G	76	Confident	74.9	Confident	18 Å²	18	72.1 Å²	72.1	19%	0.186	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	145.8	173.5	0	0	0	0	0	113.8	F445 G453	F445-G455 VanDerWaalsContact CG-C 3.48Å; F445-G455 VanDerWaalsContact CG-CA 3.43Å; G453-G455 PolarHBondContact O-N 3.28Å
456	F	79.3	Confident	75.4	Confident	39 Å²	39	71.7 Å²	71.7	17%	0.171	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	156.7	176.4	-63	-85.3	0	0	0	111.3	H447 C449 K454 E461 L462 H465	H447-F456 HydrophobicContact CB-CB 4.45Å; H447-F456 PolarHBondContact N-O 3.27Å; H447-F456 WeakPolarHBondContact O-CB 3.42Å; H447-F456 PolarHBondContact O-N 2.84Å; C449-F456 HydrophobicContact CB-CE2 4.19Å; K454-F456 HydrophobicContact CB-CE2 3.66Å; K454-F456 HydrophobicContact CB-CZ 3.94Å; K454-F456 WeakPolarHBondContact O-CD2 3.48Å; K454-F456 VanDerWaalsContact O-CE2 3.23Å; K454-F456 WeakPolarHBondContact O-CE2 3.47Å; F456-E461 HydrophobicContact CB-CB 4.03Å; F456-E461 HydrophobicContact CD1-CB 3.85Å; F456-E461 HydrophobicContact CG-CB 4.26Å; F456-L462 HydrophobicContact CB-CB 4.09Å; F456-L462 HydrophobicContact CD2-CB 4.12Å; F456-L462 HydrophobicContact CD2-CD1 3.82Å; F456-L462 HydrophobicContact CE2-CD1 4.25Å; F456-L462 HydrophobicContact CG-CB 4.24Å; F456-H465 HydrophobicContact CE1-CB 3.84Å; F456-H465 HydrophobicContact CE2-CB 3.88Å; F456-H465 AromaticContact CE2-CD2 3.13Å; F456-H465 WeakPolarHBondContact CE2-CD2 3.38Å; F456-H465 AromaticContact CE2-CG 3.58Å; F456-H465 AromaticContact CE2-NE2 3.91Å; F456-H465 HydrophobicContact CZ-CB 3.47Å; F456-H465 VanDerWaalsContact CZ-CB 3.47Å; F456-H465 AromaticContact CZ-CD2 3.24Å; F456-H465 WeakPolarHBondContact CZ-CD2 3.49Å; F456-H465 AromaticContact CZ-CG 3.2Å; F456-H465 AromaticContact CZ-ND1 3.9Å; F456-H465 AromaticContact CZ-NE2 3.92Å
457	R	75.9	Confident	75.9	Confident	73 Å²	73	70.2 Å²	70.2	28%	0.275	37%	0.37	S	S	.	.	S	Bend	trans	-90.7	-36.6	-170	-38.3	-173.9	94.3	-108.8	-51.6	110.1	R435 L438 A439 F445 E461	R435-R457 PolarHBondContact O-NH1 3.25Å; R435-R457 VanDerWaalsContact O-NH1 3.11Å; R435-R457 PolarHBondContact O-NH2 3.34Å; L438-R457 PolarHBondContact O-NH2 3.34Å; A439-R457 VanDerWaalsContact N-NH2 3.15Å; F445-R457 HydrophobicContact CD1-CG 4.28Å; F445-R457 HydrophobicContact CE1-CG 4.21Å; R457-E461 WeakPolarHBondContact CA-OE2 3.12Å; R457-E461 WeakPolarHBondContact CB-OE2 3.23Å; R457-E461 PolarHBondContact N-OE2 2.94Å
458	H	77.9	Confident	76.2	Confident	86 Å²	86	71.4 Å²	71.4	40%	0.398	38%	0.382	S	S	.	.	S	Bend	trans	-121.3	147.5	177	-58.8	-64.6	0	0	0	111.9	S460 E461 L462	H458-S460 WeakPolarHBondContact CB-OG 3.46Å; H458-S460 PolarHBondContact O-N 3.39Å; H458-E461 HydrophobicContact CB-CG 4.12Å; H458-E461 IonicContact CD2-OE1 3.06Å; H458-E461 PolarHBondContact N-OE2 3.49Å; H458-E461 WeakPolarHBondContact O-CB 3.23Å; H458-E461 PolarHBondContact O-N 2.86Å; H458-L462 PolarHBondContact O-N 2.74Å
459	P	75.6	Confident	76.2	Confident	79 Å²	79	70.3 Å²	70.3	51%	0.513	38%	0.375	S	S	.	.	H	α-helix	trans	-69.7	-19.5	-178.5	28.7	-33.1	0	0	0	111.7	H447 K463	H447-P459 VanDerWaalsContact CD2-CD 3.49Å; H447-P459 WeakPolarHBondContact CD2-CD 3.44Å; H447-P459 VanDerWaalsContact CD2-N 3.26Å; H447-P459 WeakPolarHBondContact NE2-CD 3.33Å; P459-K463 VanDerWaalsContact O-CB 3.25Å; P459-K463 WeakPolarHBondContact O-CB 3.34Å; P459-K463 PolarHBondContact O-N 2.9Å
460	S	79.5	Confident	76	Confident	72 Å²	72	74 Å²	74	50%	0.503	40%	0.397	S	S	.	.	H	α-helix	trans	-65.1	-40.7	168.5	49.3	0	0	0	0	112.5	H458 K463 K464	H458-S460 WeakPolarHBondContact CB-OG 3.46Å; H458-S460 PolarHBondContact O-N 3.39Å; S460-K463 PolarHBondContact O-N 2.88Å; S460-K464 WeakPolarHBondContact O-CG 3.17Å; S460-K464 PolarHBondContact O-N 2.94Å
461	E	79.2	Confident	76	Confident	68 Å²	68	69.5 Å²	69.5	32%	0.318	38%	0.38	S	S	.	.	H	α-helix	trans	-68.4	-47.3	176.2	-61.5	169.8	156	0	0	110.9	F456 R457 H458 K463 K464 H465	F456-E461 HydrophobicContact CB-CB 4.03Å; F456-E461 HydrophobicContact CD1-CB 3.85Å; F456-E461 HydrophobicContact CG-CB 4.26Å; R457-E461 WeakPolarHBondContact CA-OE2 3.12Å; R457-E461 WeakPolarHBondContact CB-OE2 3.23Å; R457-E461 PolarHBondContact N-OE2 2.94Å; H458-E461 HydrophobicContact CB-CG 4.12Å; H458-E461 IonicContact CD2-OE1 3.06Å; H458-E461 PolarHBondContact N-OE2 3.49Å; H458-E461 WeakPolarHBondContact O-CB 3.23Å; H458-E461 PolarHBondContact O-N 2.86Å; E461-K463 VanDerWaalsContact C-N 3.29Å; E461-K463 PolarHBondContact O-N 3.34Å; E461-K464 WeakPolarHBondContact O-CB 3.48Å; E461-K464 PolarHBondContact O-N 3.23Å; E461-K464 VanDerWaalsContact O-N 3.15Å; E461-H465 WeakPolarHBondContact O-CB 3.41Å; E461-H465 PolarHBondContact O-N 2.69Å
462	L	81.4	Confident	76.1	Confident	31 Å²	31	69.7 Å²	69.7	16%	0.162	38%	0.38	C	S	.	.	H	α-helix	trans	-55.2	-47.4	173.1	174.7	59.3	0	0	0	110.2	H447 C449 F456 H458 K464 H465 M466	H447-L462 HydrophobicContact CB-CB 4.09Å; H447-L462 HydrophobicContact CB-CD2 3.84Å; C449-L462 HydrophobicContact CB-CD1 3.75Å; F456-L462 HydrophobicContact CB-CB 4.09Å; F456-L462 HydrophobicContact CD2-CB 4.12Å; F456-L462 HydrophobicContact CD2-CD1 3.82Å; F456-L462 HydrophobicContact CE2-CD1 4.25Å; F456-L462 HydrophobicContact CG-CB 4.24Å; H458-L462 PolarHBondContact O-N 2.74Å; L462-K464 PolarHBondContact O-N 3.17Å; L462-H465 CarbonylContact O-C 3.54Å; L462-H465 WeakPolarHBondContact O-CA 3.47Å; L462-H465 WeakPolarHBondContact O-CB 3.32Å; L462-H465 PolarHBondContact O-N 3.42Å; L462-M466 HydrophobicContact CD1-CG 4.14Å; L462-M466 HydrophobicContact CD1-SD 3.82Å; L462-M466 HydrophobicContact CG-CG 4.38Å; L462-M466 WeakPolarHBondContact O-CG 3.35Å; L462-M466 PolarHBondContact O-N 2.87Å
463	K	79.2	Confident	76.5	Confident	148 Å²	148	73 Å²	73	64%	0.643	39%	0.389	S	S	*	.	H	α-helix	trans	-63.1	-36.5	178.3	-171.6	175	-177.1	179.5	0	113.3	P459 S460 E461 H465	P459-K463 VanDerWaalsContact O-CB 3.25Å; P459-K463 WeakPolarHBondContact O-CB 3.34Å; P459-K463 PolarHBondContact O-N 2.9Å; S460-K463 PolarHBondContact O-N 2.88Å; E461-K463 VanDerWaalsContact C-N 3.29Å; E461-K463 PolarHBondContact O-N 3.34Å; K463-H465 VanDerWaalsContact C-N 3.33Å
464	K	80.3	Confident	76.9	Confident	86 Å²	86	73.5 Å²	73.5	37%	0.374	38%	0.381	S	S	.	.	H	α-helix	trans	-65.3	-37.6	170.5	-76.1	-178.5	179.8	-160.3	0	111.4	S460 E461 L462 R467 D486	S460-K464 WeakPolarHBondContact O-CG 3.17Å; S460-K464 PolarHBondContact O-N 2.94Å; E461-K464 WeakPolarHBondContact O-CB 3.48Å; E461-K464 PolarHBondContact O-N 3.23Å; E461-K464 VanDerWaalsContact O-N 3.15Å; L462-K464 PolarHBondContact O-N 3.17Å; K464-R467 WeakPolarHBondContact O-CB 3.35Å; K464-D486 VanDerWaalsContact CE-CG 3.49Å; K464-D486 WeakPolarHBondContact CE-OD1 3.46Å; K464-D486 WeakPolarHBondContact CE-OD2 3.44Å; K464-D486 IonicContact NZ-OD1 3.85Å; K464-D486 PolarHBondContact NZ-OD1 3.2Å; K464-D486 IonicContact NZ-OD2 3.52Å; K464-D486 PolarHBondContact NZ-OD2 3.15Å
465	H	81.2	Confident	77.1	Confident	22 Å²	22	71 Å²	71	10%	0.102	37%	0.369	C	S	.	.	H	α-helix	trans	-73.4	-37.4	179.5	173.1	54.9	0	0	0	113.7	C449 C452 F456 E461 L462 K463 R467 T468 H469	C449-H465 PolarHBondContact SG-NE2 3.2Å; C452-H465 PolarHBondContact SG-NE2 3.15Å; F456-H465 HydrophobicContact CE1-CB 3.84Å; F456-H465 HydrophobicContact CE2-CB 3.88Å; F456-H465 AromaticContact CE2-CD2 3.13Å; F456-H465 WeakPolarHBondContact CE2-CD2 3.38Å; F456-H465 AromaticContact CE2-CG 3.58Å; F456-H465 AromaticContact CE2-NE2 3.91Å; F456-H465 HydrophobicContact CZ-CB 3.47Å; F456-H465 VanDerWaalsContact CZ-CB 3.47Å; F456-H465 AromaticContact CZ-CD2 3.24Å; F456-H465 WeakPolarHBondContact CZ-CD2 3.49Å; F456-H465 AromaticContact CZ-CG 3.2Å; F456-H465 AromaticContact CZ-ND1 3.9Å; F456-H465 AromaticContact CZ-NE2 3.92Å; E461-H465 WeakPolarHBondContact O-CB 3.41Å; E461-H465 PolarHBondContact O-N 2.69Å; L462-H465 CarbonylContact O-C 3.54Å; L462-H465 WeakPolarHBondContact O-CA 3.47Å; L462-H465 WeakPolarHBondContact O-CB 3.32Å; L462-H465 PolarHBondContact O-N 3.42Å; K463-H465 VanDerWaalsContact C-N 3.33Å; H465-R467 PolarHBondContact O-N 3.17Å; H465-R467 VanDerWaalsContact O-N 3.15Å; H465-T468 PolarHBondContact CE1-OG1 3.29Å; H465-T468 PolarHBondContact ND1-OG1 2.88Å; H465-T468 VanDerWaalsContact ND1-OG1 3.08Å; H465-T468 WeakPolarHBondContact O-CA 3.49Å; H465-T468 WeakPolarHBondContact O-CB 3.38Å; H465-T468 PolarHBondContact O-N 3.39Å; H465-T468 PolarHBondContact O-OG1 3.11Å; H465-H469 AromaticContact CD2-NE2 3.93Å; H465-H469 AromaticContact CE1-CE1 3.69Å; H465-H469 AromaticContact CE1-NE2 3.28Å; H465-H469 PolarHBondContact CE1-NE2 3.42Å; H465-H469 VanDerWaalsContact CE1-NE2 3.28Å; H465-H469 AromaticContact NE2-CD2 3.96Å; H465-H469 AromaticContact NE2-CE1 3.8Å; H465-H469 AromaticContact NE2-NE2 3.02Å; H465-H469 PolarHBondContact NE2-NE2 2.9Å
466	M	77.7	Confident	77.1	Confident	56 Å²	56	73 Å²	73	28%	0.276	38%	0.38	S	S	.	.	H	α-helix	trans	-56.6	-33.1	176.8	-65	-52	-65.6	0	0	112.2	C449 E451 L462 T468 H469 T470	C449-M466 HydrophobicContact CB-SD 4.22Å; E451-M466 HydrophobicContact CG-CE 4.27Å; E451-M466 WeakPolarHBondContact OE2-CE 3.49Å; L462-M466 HydrophobicContact CD1-CG 4.14Å; L462-M466 HydrophobicContact CD1-SD 3.82Å; L462-M466 HydrophobicContact CG-CG 4.38Å; L462-M466 WeakPolarHBondContact O-CG 3.35Å; L462-M466 PolarHBondContact O-N 2.87Å; M466-T468 PolarHBondContact O-N 3.2Å; M466-T468 VanDerWaalsContact O-N 3.09Å; M466-H469 PolarHBondContact O-N 3.33Å; M466-T470 PolarHBondContact O-N 3.38Å; M466-T470 VanDerWaalsContact O-N 3.1Å; M466-T470 PolarHBondContact O-OG1 3.4Å
467	R	79.9	Confident	76.8	Confident	44 Å²	44	71.7 Å²	71.7	17%	0.166	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.4	172.5	-64.8	174.4	173.9	158.1	-5.8	114.3	K464 H465 T470 G471 E472 Y475 A485	K464-R467 WeakPolarHBondContact O-CB 3.35Å; H465-R467 PolarHBondContact O-N 3.17Å; H465-R467 VanDerWaalsContact O-N 3.15Å; R467-T470 WeakPolarHBondContact CA-OG1 3.28Å; R467-G471 CarbonylContact O-C 3.55Å; R467-G471 WeakPolarHBondContact O-CA 3.46Å; R467-G471 PolarHBondContact O-N 2.96Å; R467-E472 HydrophobicContact CG-CB 4.45Å; R467-E472 PolarHBondContact O-N 2.84Å; R467-Y475 PolarHBondContact NH2-OH 3.2Å; R467-A485 HydrophobicContact CB-CB 3.87Å; R467-A485 WeakPolarHBondContact CD-O 3.42Å; R467-A485 PolarHBondContact NH1-O 3.23Å
468	T	75.5	Confident	76.3	Confident	88 Å²	88	76.6 Å²	76.6	54%	0.54	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-19.1	174.9	68.7	0	0	0	0	113.3	H465 M466	H465-T468 PolarHBondContact CE1-OG1 3.29Å; H465-T468 PolarHBondContact ND1-OG1 2.88Å; H465-T468 VanDerWaalsContact ND1-OG1 3.08Å; H465-T468 WeakPolarHBondContact O-CA 3.49Å; H465-T468 WeakPolarHBondContact O-CB 3.38Å; H465-T468 PolarHBondContact O-N 3.39Å; H465-T468 PolarHBondContact O-OG1 3.11Å; M466-T468 PolarHBondContact O-N 3.2Å; M466-T468 VanDerWaalsContact O-N 3.09Å
469	H	74.7	Confident	75.3	Confident	75 Å²	75	79 Å²	79	35%	0.347	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-46.2	173.5	-54.8	-54.6	0	0	0	111.4	C449 E451 C452 H465 M466 G471	C449-H469 VanDerWaalsContact SG-CD2 3.56Å; C449-H469 PolarHBondContact SG-NE2 3.45Å; E451-H469 WeakPolarHBondContact OE2-CB 3.5Å; E451-H469 IonicContact OE2-CD2 3.42Å; E451-H469 PolarHBondContact OE2-CD2 3.11Å; E451-H469 IonicContact OE2-CG 3.78Å; C452-H469 PolarHBondContact SG-NE2 3.28Å; C452-H469 VanDerWaalsContact SG-NE2 3.44Å; H465-H469 AromaticContact CD2-NE2 3.93Å; H465-H469 AromaticContact CE1-CE1 3.69Å; H465-H469 AromaticContact CE1-NE2 3.28Å; H465-H469 PolarHBondContact CE1-NE2 3.42Å; H465-H469 VanDerWaalsContact CE1-NE2 3.28Å; H465-H469 AromaticContact NE2-CD2 3.96Å; H465-H469 AromaticContact NE2-CE1 3.8Å; H465-H469 AromaticContact NE2-NE2 3.02Å; H465-H469 PolarHBondContact NE2-NE2 2.9Å; M466-H469 PolarHBondContact O-N 3.33Å; H469-G471 PolarHBondContact O-N 3.43Å
470	T	71.2	Confident	74.9	Confident	77 Å²	77	77.7 Å²	77.7	47%	0.472	40%	0.402	S	S	.	.	S	Bend	trans	-68.1	-13.5	175.2	65.7	0	0	0	0	113.2	M466 R467 E472	M466-T470 PolarHBondContact O-N 3.38Å; M466-T470 VanDerWaalsContact O-N 3.1Å; M466-T470 PolarHBondContact O-OG1 3.4Å; R467-T470 WeakPolarHBondContact CA-OG1 3.28Å; T470-E472 PolarHBondContact O-N 2.89Å; T470-E472 VanDerWaalsContact O-N 3.11Å; T470-E472 WeakPolarHBondContact OG1-CG 3.15Å
471	G	72.3	Confident	74.7	Confident	47 Å²	47	81.7 Å²	81.7	49%	0.485	42%	0.418	S	S	.	.			trans	69.6	0.7	-177.3	0	0	0	0	0	114.5	R467 H469 K473	R467-G471 CarbonylContact O-C 3.55Å; R467-G471 WeakPolarHBondContact O-CA 3.46Å; R467-G471 PolarHBondContact O-N 2.96Å; H469-G471 PolarHBondContact O-N 3.43Å; G471-K473 PolarHBondContact O-N 2.89Å
472	E	72.1	Confident	74.3	Confident	115 Å²	115	83.3 Å²	83.3	54%	0.537	42%	0.422	S	S	.	.			trans	-59.5	124.6	-177.8	-74.6	-178.4	168.6	0	0	111.6	R467 T470 P474	R467-E472 HydrophobicContact CG-CB 4.45Å; R467-E472 PolarHBondContact O-N 2.84Å; T470-E472 PolarHBondContact O-N 2.89Å; T470-E472 VanDerWaalsContact O-N 3.11Å; T470-E472 WeakPolarHBondContact OG1-CG 3.15Å; E472-P474 WeakPolarHBondContact O-CD 3.14Å
473	K	76.9	Confident	74.3	Confident	126 Å²	126	87.3 Å²	87.3	55%	0.548	44%	0.438	S	S	.	.			trans	-123.7	78.2	178	-72.1	162.2	172	-175.3	0	109.8	G471 Y475 K483 S484	G471-K473 PolarHBondContact O-N 2.89Å; K473-Y475 PolarHBondContact O-N 3.48Å; K473-K483 HydrophobicContact CB-CB 3.63Å; K473-K483 HydrophobicContact CD-CB 4.2Å; K473-K483 WeakPolarHBondContact CD-O 3.42Å; K473-K483 HydrophobicContact CG-CB 4.46Å; K473-S484 CarbonylContact C-O 3.54Å; K473-S484 VanDerWaalsContact C-O 3.23Å; K473-S484 VanDerWaalsContact CA-O 3.23Å; K473-S484 WeakPolarHBondContact CA-O 3.47Å
474	P	76.9	Confident	74.3	Confident	68 Å²	68	80.5 Å²	80.5	44%	0.442	41%	0.409	S	S	.	.			trans	-68	-19.3	-172.4	-19.4	33.4	0	0	0	113.7	E472	E472-P474 WeakPolarHBondContact O-CD 3.14Å
475	Y	76.1	Confident	74.3	Confident	73 Å²	73	77.6 Å²	77.6	29%	0.286	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	87.9	-173.5	-50.3	-78.7	0	0	0	109.6	R467 K473 K483 S484	R467-Y475 PolarHBondContact NH2-OH 3.2Å; K473-Y475 PolarHBondContact O-N 3.48Å; Y475-K483 WeakPolarHBondContact O-CA 3.44Å; Y475-S484 PolarHBondContact N-O 2.04Å; Y475-S484 VanDerWaalsContact N-O 3.15Å; Y475-S484 PolarHBondContact O-N 2.74Å; Y475-S484 PolarHBondContact O-OG 3.06Å
476	S	76.3	Confident	74.2	Confident	61 Å²	61	77.7 Å²	77.7	43%	0.427	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	142.5	169.5	49.5	0	0	0	0	111.8	L490	S476-L490 WeakPolarHBondContact O-CD2 3.37Å
477	C	73.1	Confident	74.2	Confident	10 Å²	10	77.8 Å²	77.8	7%	0.068	41%	0.409	C	S	.	.			trans	-69.5	146	164.2	-168.1	0	0	0	0	110.3	Y479 C480 Y482 L490 H498	C477-Y479 VanDerWaalsContact C-N 3.32Å; C477-Y479 PolarHBondContact SG-N 2.86Å; C477-Y479 VanDerWaalsContact SG-N 3.42Å; C477-C480 WeakPolarHBondContact CB-O 3.5Å; C477-Y482 PolarHBondContact N-O 3.32Å; C477-L490 HydrophobicContact CB-CD1 3.85Å; C477-H498 PolarHBondContact SG-CD2 3.03Å
478	M	64.8	Low	74.1	Confident	176 Å²	176	78.9 Å²	78.9	87%	0.867	42%	0.423	S	S	*	.	S	Bend	trans	-84	-12.4	173.3	-66.4	175.3	65.4	0	0	112.4
479	Y	58.1	Low	74.4	Confident	137 Å²	137	78.7 Å²	78.7	54%	0.537	42%	0.419	S	S	.	.	S	Bend	trans	-113.3	-5.6	-171	-52.4	-84.3	0	0	0	113.9	C477 I494 H498	C477-Y479 VanDerWaalsContact C-N 3.32Å; C477-Y479 PolarHBondContact SG-N 2.86Å; C477-Y479 VanDerWaalsContact SG-N 3.42Å; Y479-I494 HydrophobicContact CE2-CG2 4.49Å; Y479-H498 VanDerWaalsContact CB-CG 3.47Å; Y479-H498 WeakPolarHBondContact CB-ND1 3.35Å; Y479-H498 HydrophobicContact CD2-CB 4.04Å; Y479-H498 HydrophobicContact CG-CB 4.21Å; Y479-H498 PolarHBondContact O-CE1 2.71Å; Y479-H498 VanDerWaalsContact O-CE1 3.29Å
480	C	67	Low	74.6	Confident	51 Å²	51	76.3 Å²	76.3	35%	0.345	41%	0.408	S	S	.	.	S	Bend	trans	-163.6	172.5	165.3	73.3	0	0	0	0	111.4	C477 Y482 H498	C477-C480 WeakPolarHBondContact CB-O 3.5Å; C480-Y482 PolarHBondContact O-N 3.34Å; C480-Y482 VanDerWaalsContact SG-CB 3.54Å; C480-H498 PolarHBondContact SG-NE2 3.48Å
481	D	75.6	Confident	74.9	Confident	157 Å²	157	80.6 Å²	80.6	84%	0.84	42%	0.42	S	S	*	.	S	Bend	trans	-68.2	6.1	-178.9	-51.5	-75	0	0	0	115.6	K483	D481-K483 PolarHBondContact O-N 3.07Å
482	Y	70.9	Confident	75.3	Confident	101 Å²	101	82.2 Å²	82.2	40%	0.396	42%	0.421	S	S	.	.			trans	-66	125.1	177.5	-178.6	-96	0	0	0	111.2	C477 C480 L490 H493	C477-Y482 PolarHBondContact N-O 3.32Å; C480-Y482 PolarHBondContact O-N 3.34Å; C480-Y482 VanDerWaalsContact SG-CB 3.54Å; Y482-L490 HydrophobicContact CD1-CD1 4.47Å; Y482-H493 WeakPolarHBondContact CB-CE1 3.46Å; Y482-H493 WeakPolarHBondContact CB-NE2 3.48Å; Y482-H493 HydrophobicContact CD1-CB 3.92Å; Y482-H493 AromaticContact CD1-CD2 3.42Å; Y482-H493 VanDerWaalsContact CD1-CD2 3.42Å; Y482-H493 WeakPolarHBondContact CD1-CD2 2.97Å; Y482-H493 AromaticContact CD1-CE1 3.64Å; Y482-H493 AromaticContact CD1-CG 3.28Å; Y482-H493 AromaticContact CD1-ND1 3.44Å; Y482-H493 WeakPolarHBondContact CD1-ND1 3.18Å; Y482-H493 AromaticContact CD1-NE2 3.64Å; Y482-H493 AromaticContact CD2-ND1 3.97Å; Y482-H493 HydrophobicContact CE1-CB 3.62Å; Y482-H493 AromaticContact CE1-CG 3.52Å; Y482-H493 AromaticContact CE1-ND1 3.8Å; Y482-H493 AromaticContact CG-CE1 3.43Å; Y482-H493 VanDerWaalsContact CG-CE1 3.43Å; Y482-H493 AromaticContact CG-CG 3.88Å; Y482-H493 AromaticContact CG-ND1 3.52Å; Y482-H493 AromaticContact CG-NE2 3.73Å
483	K	80	Confident	75.6	Confident	115 Å²	115	77.6 Å²	77.6	50%	0.5	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.3	175.1	-47.3	-171.4	-176.8	-179.9	0	110.2	K473 Y475 D481	K473-K483 HydrophobicContact CB-CB 3.63Å; K473-K483 HydrophobicContact CD-CB 4.2Å; K473-K483 WeakPolarHBondContact CD-O 3.42Å; K473-K483 HydrophobicContact CG-CB 4.46Å; Y475-K483 WeakPolarHBondContact O-CA 3.44Å; D481-K483 PolarHBondContact O-N 3.07Å
484	S	79.9	Confident	75.5	Confident	5 Å²	5	74.4 Å²	74.4	4%	0.035	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	156.5	-176.5	65.4	0	0	0	0	112.7	K473 Y475 D486	K473-S484 CarbonylContact C-O 3.54Å; K473-S484 VanDerWaalsContact C-O 3.23Å; K473-S484 VanDerWaalsContact CA-O 3.23Å; K473-S484 WeakPolarHBondContact CA-O 3.47Å; Y475-S484 PolarHBondContact N-O 2.04Å; Y475-S484 VanDerWaalsContact N-O 3.15Å; Y475-S484 PolarHBondContact O-N 2.74Å; Y475-S484 PolarHBondContact O-OG 3.06Å; S484-D486 PolarHBondContact OG-O 3.28Å
485	A	79.4	Confident	75.3	Confident	25 Å²	25	74.9 Å²	74.9	21%	0.207	38%	0.383	C	S	.	.	S	Bend	trans	-86.3	-4.8	-179.4	0	0	0	0	0	113.8	R467	R467-A485 HydrophobicContact CB-CB 3.87Å; R467-A485 WeakPolarHBondContact CD-O 3.42Å; R467-A485 PolarHBondContact NH1-O 3.23Å
486	D	80.2	Confident	75.1	Confident	24 Å²	24	75.5 Å²	75.5	13%	0.128	40%	0.395	C	S	.	.	S	Bend	trans	-146.1	139.3	-176.8	-165.1	18.5	0	0	0	111.8	K464 S484 S488 N489 L490	K464-D486 VanDerWaalsContact CE-CG 3.49Å; K464-D486 WeakPolarHBondContact CE-OD1 3.46Å; K464-D486 WeakPolarHBondContact CE-OD2 3.44Å; K464-D486 IonicContact NZ-OD1 3.85Å; K464-D486 PolarHBondContact NZ-OD1 3.2Å; K464-D486 IonicContact NZ-OD2 3.52Å; K464-D486 PolarHBondContact NZ-OD2 3.15Å; S484-D486 PolarHBondContact OG-O 3.28Å; D486-S488 PolarHBondContact O-N 3.2Å; D486-N489 PolarHBondContact O-N 3.47Å; D486-L490 PolarHBondContact O-N 3.44Å
487	S	76.4	Confident	74.5	Confident	59 Å²	59	79.7 Å²	79.7	41%	0.413	41%	0.405	S	S	.	.	H	α-helix	trans	-67.4	-34.4	-173	51.3	0	0	0	0	112.8	N489 L490 K491	S487-N489 VanDerWaalsContact C-N 3.28Å; S487-N489 PolarHBondContact O-N 3.29Å; S487-L490 PolarHBondContact O-N 2.84Å; S487-L490 VanDerWaalsContact O-N 3.15Å; S487-K491 PolarHBondContact O-N 2.99Å
488	S	79.6	Confident	74.1	Confident	67 Å²	67	81.3 Å²	81.3	47%	0.469	41%	0.412	S	S	.	.	H	α-helix	trans	-60.9	-38	174.2	-53.5	0	0	0	0	111.9	D486 K491 T492	D486-S488 PolarHBondContact O-N 3.2Å; S488-K491 PolarHBondContact O-N 2.99Å; S488-T492 PolarHBondContact O-N 3.28Å; S488-T492 PolarHBondContact O-OG1 3.42Å
489	N	80.4	Confident	73.8	Confident	84 Å²	84	74 Å²	74	45%	0.449	38%	0.377	S	S	.	.	H	α-helix	trans	-72.7	-28.6	176.9	-68.9	-21	0	0	0	112.2	D486 S487 T492 H493	D486-N489 PolarHBondContact O-N 3.47Å; S487-N489 VanDerWaalsContact C-N 3.28Å; S487-N489 PolarHBondContact O-N 3.29Å; N489-T492 PolarHBondContact O-OG1 2.82Å; N489-H493 WeakPolarHBondContact O-CB 3.5Å; N489-H493 PolarHBondContact O-N 3.12Å
490	L	79.1	Confident	73.7	Confident	24 Å²	24	77.1 Å²	77.1	13%	0.126	39%	0.394	C	S	.	.	H	α-helix	trans	-69.4	-43.7	167.8	-176.5	61	0	0	0	111.4	S476 C477 Y482 D486 S487 T492 H493 I494	S476-L490 WeakPolarHBondContact O-CD2 3.37Å; C477-L490 HydrophobicContact CB-CD1 3.85Å; Y482-L490 HydrophobicContact CD1-CD1 4.47Å; D486-L490 PolarHBondContact O-N 3.44Å; S487-L490 PolarHBondContact O-N 2.84Å; S487-L490 VanDerWaalsContact O-N 3.15Å; L490-T492 PolarHBondContact O-N 3.43Å; L490-H493 WeakPolarHBondContact O-CB 3.47Å; L490-H493 PolarHBondContact O-N 3.17Å; L490-I494 HydrophobicContact CD1-CD1 4.03Å; L490-I494 HydrophobicContact CD1-CG1 4.12Å; L490-I494 HydrophobicContact CD2-CD1 4.34Å; L490-I494 HydrophobicContact CG-CD1 3.83Å; L490-I494 HydrophobicContact CG-CG1 4.33Å; L490-I494 WeakPolarHBondContact O-CG1 3.44Å; L490-I494 PolarHBondContact O-N 3.37Å
491	K	77.5	Confident	73.2	Confident	167 Å²	167	82.3 Å²	82.3	73%	0.726	41%	0.413	S	S	*	.	H	α-helix	trans	-61.5	-44.2	179.9	-167.2	177.6	-178.2	-176.7	0	111.5	S487 S488 I494 K495	S487-K491 PolarHBondContact O-N 2.99Å; S488-K491 PolarHBondContact O-N 2.99Å; K491-I494 PolarHBondContact O-N 2.98Å; K491-K495 PolarHBondContact O-N 2.96Å
492	T	80.3	Confident	72.3	Confident	82 Å²	82	76.3 Å²	76.3	50%	0.503	38%	0.38	S	S	.	.	H	α-helix	trans	-69.2	-36.6	174.7	56	0	0	0	0	112.5	S488 N489 L490 K495 T496	S488-T492 PolarHBondContact O-N 3.28Å; S488-T492 PolarHBondContact O-OG1 3.42Å; N489-T492 PolarHBondContact O-OG1 2.82Å; L490-T492 PolarHBondContact O-N 3.43Å; T492-K495 PolarHBondContact O-N 3.2Å; T492-T496 WeakPolarHBondContact O-CB 3.4Å; T492-T496 VanDerWaalsContact O-CG2 3.29Å; T492-T496 WeakPolarHBondContact O-CG2 3.23Å; T492-T496 PolarHBondContact O-N 3.36Å; T492-T496 PolarHBondContact O-OG1 3.45Å
493	H	79.8	Confident	71.9	Confident	18 Å²	18	76.3 Å²	76.3	8%	0.083	39%	0.393	C	S	.	.	H	α-helix	trans	-60.1	-47	171.6	165.5	80.6	0	0	0	112	Y482 N489 L490 T496 K497 H498	Y482-H493 WeakPolarHBondContact CB-CE1 3.46Å; Y482-H493 WeakPolarHBondContact CB-NE2 3.48Å; Y482-H493 HydrophobicContact CD1-CB 3.92Å; Y482-H493 AromaticContact CD1-CD2 3.42Å; Y482-H493 VanDerWaalsContact CD1-CD2 3.42Å; Y482-H493 WeakPolarHBondContact CD1-CD2 2.97Å; Y482-H493 AromaticContact CD1-CE1 3.64Å; Y482-H493 AromaticContact CD1-CG 3.28Å; Y482-H493 AromaticContact CD1-ND1 3.44Å; Y482-H493 WeakPolarHBondContact CD1-ND1 3.18Å; Y482-H493 AromaticContact CD1-NE2 3.64Å; Y482-H493 AromaticContact CD2-ND1 3.97Å; Y482-H493 HydrophobicContact CE1-CB 3.62Å; Y482-H493 AromaticContact CE1-CG 3.52Å; Y482-H493 AromaticContact CE1-ND1 3.8Å; Y482-H493 AromaticContact CG-CE1 3.43Å; Y482-H493 VanDerWaalsContact CG-CE1 3.43Å; Y482-H493 AromaticContact CG-CG 3.88Å; Y482-H493 AromaticContact CG-ND1 3.52Å; Y482-H493 AromaticContact CG-NE2 3.73Å; N489-H493 WeakPolarHBondContact O-CB 3.5Å; N489-H493 PolarHBondContact O-N 3.12Å; L490-H493 WeakPolarHBondContact O-CB 3.47Å; L490-H493 PolarHBondContact O-N 3.17Å; H493-T496 PolarHBondContact O-N 3.32Å; H493-T496 PolarHBondContact O-OG1 2.69Å; H493-K497 VanDerWaalsContact O-CB 3.31Å; H493-K497 WeakPolarHBondContact O-CB 3.29Å; H493-K497 PolarHBondContact O-N 3.48Å; H493-H498 AromaticContact CE1-NE2 3.8Å; H493-H498 AromaticContact NE2-CD2 3.43Å; H493-H498 PolarHBondContact NE2-CD2 3.24Å; H493-H498 AromaticContact NE2-NE2 3.28Å; H493-H498 PolarHBondContact NE2-NE2 3.25Å
494	I	73.9	Confident	70.9	Confident	58 Å²	58	74.3 Å²	74.3	30%	0.297	38%	0.383	S	S	.	.	H	α-helix	trans	-60.9	-51.9	177.5	-69.1	170.9	0	0	0	109.8	Y479 L490 K491 T496 K497 H498	Y479-I494 HydrophobicContact CE2-CG2 4.49Å; L490-I494 HydrophobicContact CD1-CD1 4.03Å; L490-I494 HydrophobicContact CD1-CG1 4.12Å; L490-I494 HydrophobicContact CD2-CD1 4.34Å; L490-I494 HydrophobicContact CG-CD1 3.83Å; L490-I494 HydrophobicContact CG-CG1 4.33Å; L490-I494 WeakPolarHBondContact O-CG1 3.44Å; L490-I494 PolarHBondContact O-N 3.37Å; K491-I494 PolarHBondContact O-N 2.98Å; I494-T496 PolarHBondContact O-N 2.59Å; I494-K497 PolarHBondContact O-N 2.97Å; I494-H498 HydrophobicContact CG2-CB 4.37Å; I494-H498 CarbonylContact O-C 3.59Å; I494-H498 WeakPolarHBondContact O-CA 3.46Å; I494-H498 PolarHBondContact O-N 3.4Å
495	K	73	Confident	69.8	Low	78 Å²	78	79.8 Å²	79.8	34%	0.339	41%	0.406	S	S	.	.	H	α-helix	trans	-59.2	-29.9	179.1	-169	167	-175.1	166.3	0	113.6	K491 T492 S499 M502 E518	K491-K495 PolarHBondContact O-N 2.96Å; T492-K495 PolarHBondContact O-N 3.2Å; K495-S499 VanDerWaalsContact O-CB 3.29Å; K495-S499 WeakPolarHBondContact O-CB 3.47Å; K495-S499 PolarHBondContact O-OG 2.84Å; K495-M502 HydrophobicContact CD-CE 4.36Å; K495-M502 HydrophobicContact CG-CE 3.69Å; K495-M502 HydrophobicContact CG-SD 4.37Å; K495-E518 WeakPolarHBondContact CE-OE2 3.46Å; K495-E518 IonicContact NZ-OE1 3.61Å; K495-E518 PolarHBondContact NZ-OE1 3Å; K495-E518 IonicContact NZ-OE2 2.98Å; K495-E518 PolarHBondContact NZ-OE2 3.32Å
496	T	71.4	Confident	69	Low	87 Å²	87	79 Å²	79	53%	0.534	40%	0.399	S	S	.	.	H	α-helix	trans	-103	-11.8	-176.3	61.1	0	0	0	0	116.1	T492 H493 I494	T492-T496 WeakPolarHBondContact O-CB 3.4Å; T492-T496 VanDerWaalsContact O-CG2 3.29Å; T492-T496 WeakPolarHBondContact O-CG2 3.23Å; T492-T496 PolarHBondContact O-N 3.36Å; T492-T496 PolarHBondContact O-OG1 3.45Å; H493-T496 PolarHBondContact O-N 3.32Å; H493-T496 PolarHBondContact O-OG1 2.69Å; I494-T496 PolarHBondContact O-N 2.59Å
497	K	64.4	Low	67.8	Low	148 Å²	148	84.6 Å²	84.6	64%	0.643	42%	0.424	S	S	*	.	H	α-helix	trans	-126.3	-26.2	-178.8	-59.9	-62.2	166.1	-152.7	0	114.5	H493 I494	H493-K497 VanDerWaalsContact O-CB 3.31Å; H493-K497 WeakPolarHBondContact O-CB 3.29Å; H493-K497 PolarHBondContact O-N 3.48Å; I494-K497 PolarHBondContact O-N 2.97Å
498	H	63.8	Low	66.9	Low	45 Å²	45	90 Å²	90	21%	0.208	44%	0.435	C	S	.	.	S	Bend	trans	-109.1	22.5	175.7	-60.9	-68.1	0	0	0	112	C477 Y479 C480 H493 I494 K500	C477-H498 PolarHBondContact SG-CD2 3.03Å; Y479-H498 VanDerWaalsContact CB-CG 3.47Å; Y479-H498 WeakPolarHBondContact CB-ND1 3.35Å; Y479-H498 HydrophobicContact CD2-CB 4.04Å; Y479-H498 HydrophobicContact CG-CB 4.21Å; Y479-H498 PolarHBondContact O-CE1 2.71Å; Y479-H498 VanDerWaalsContact O-CE1 3.29Å; C480-H498 PolarHBondContact SG-NE2 3.48Å; H493-H498 AromaticContact CE1-NE2 3.8Å; H493-H498 AromaticContact NE2-CD2 3.43Å; H493-H498 PolarHBondContact NE2-CD2 3.24Å; H493-H498 AromaticContact NE2-NE2 3.28Å; H493-H498 PolarHBondContact NE2-NE2 3.25Å; I494-H498 HydrophobicContact CG2-CB 4.37Å; I494-H498 CarbonylContact O-C 3.59Å; I494-H498 WeakPolarHBondContact O-CA 3.46Å; I494-H498 PolarHBondContact O-N 3.4Å; H498-K500 PolarHBondContact O-N 3.49Å
499	S	59.6	Low	65.7	Low	21 Å²	21	88.9 Å²	88.9	15%	0.147	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-61.3	29.4	174.7	-157.9	0	0	0	0	115.1	K495 E501 M502 T512	K495-S499 VanDerWaalsContact O-CB 3.29Å; K495-S499 WeakPolarHBondContact O-CB 3.47Å; K495-S499 PolarHBondContact O-OG 2.84Å; S499-E501 VanDerWaalsContact C-N 3.33Å; S499-M502 WeakPolarHBondContact OG-CG 3.42Å; S499-T512 WeakPolarHBondContact OG-CB 3.31Å; S499-T512 PolarHBondContact OG-OG1 3.08Å
500	K	56.3	Low	64.4	Low	204 Å²	204	92.6 Å²	92.6	89%	0.887	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-83.3	-11.6	176.4	-73	-171	175.5	-176.8	0	113.2	H498	H498-K500 PolarHBondContact O-N 3.49Å
501	E	55.7	Low	63.2	Low	160 Å²	160	96.7 Å²	96.7	75%	0.748	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-106.5	33.4	175.7	-64.3	174.4	177.9	0	0	110.8	S499	S499-E501 VanDerWaalsContact C-N 3.33Å
502	M	56.3	Low	62.4	Low	30 Å²	30	91.5 Å²	91.5	15%	0.148	44%	0.441	C	S	.	.			trans	-124.7	96.8	-174.1	-63.1	-98.2	-70.7	0	0	107.7	K495 S499 Y504 T512 F513 A514	K495-M502 HydrophobicContact CD-CE 4.36Å; K495-M502 HydrophobicContact CG-CE 3.69Å; K495-M502 HydrophobicContact CG-SD 4.37Å; S499-M502 WeakPolarHBondContact OG-CG 3.42Å; M502-Y504 VanDerWaalsContact C-N 3.27Å; M502-Y504 PolarHBondContact O-N 2.84Å; M502-T512 VanDerWaalsContact CE-O 3.25Å; M502-T512 WeakPolarHBondContact CE-O 3.24Å; M502-F513 WeakPolarHBondContact CB-O 3.38Å; M502-A514 HydrophobicContact CE-CB 4.28Å; M502-A514 WeakPolarHBondContact SD-CA 3.29Å; M502-A514 HydrophobicContact SD-CB 3.67Å
503	P	63.6	Low	61.9	Low	101 Å²	101	88.8 Å²	88.8	66%	0.656	42%	0.422	S	S	*	.			trans	-66.2	-29.6	-169.3	-21.8	33.2	0	0	0	113.7
504	Y	58.7	Low	61.1	Low	74 Å²	74	89.5 Å²	89.5	29%	0.29	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	114.1	-165.1	-61.6	-74.2	0	0	0	110.9	M502 T512 F513 A514 E516 L519	M502-Y504 VanDerWaalsContact C-N 3.27Å; M502-Y504 PolarHBondContact O-N 2.84Å; Y504-T512 CarbonylContact O-C 3.59Å; Y504-T512 VanDerWaalsContact O-CA 3.29Å; Y504-T512 WeakPolarHBondContact O-CA 3.16Å; Y504-F513 PolarHBondContact O-N 2.8Å; Y504-A514 WeakPolarHBondContact CD2-O 3.26Å; Y504-E516 HydrophobicContact CD1-CB 3.89Å; Y504-E516 HydrophobicContact CD1-CG 3.87Å; Y504-E516 HydrophobicContact CE1-CB 3.53Å; Y504-E516 VanDerWaalsContact CE1-CD 3.46Å; Y504-E516 HydrophobicContact CE1-CG 3.59Å; Y504-E516 WeakPolarHBondContact CE1-OE2 3.43Å; Y504-E516 HydrophobicContact CE2-CB 4.32Å; Y504-E516 HydrophobicContact CG-CB 4.41Å; Y504-E516 PolarHBondContact OH-OE2 3.04Å; Y504-L519 HydrophobicContact CD1-CD2 4.31Å
505	K	57.2	Low	60.9	Low	120 Å²	120	92.2 Å²	92.2	52%	0.522	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134	-177.8	68.1	-172.6	172.7	149.5	0	110.1	E507 T512	K505-E507 VanDerWaalsContact CE-OE1 3.29Å; K505-E507 WeakPolarHBondContact CE-OE1 3.38Å; K505-E507 IonicContact NZ-OE1 2.71Å; K505-E507 PolarHBondContact NZ-OE1 3.31Å; K505-E507 PolarHBondContact O-N 3.44Å; K505-T512 HydrophobicContact CB-CG2 4.14Å
506	C	61.1	Low	60.7	Low	8 Å²	8	94.2 Å²	94.2	5%	0.054	45%	0.453	C	S	.	.			trans	-79.1	114.3	168.1	175.8	0	0	0	0	109.8	R508 C509 F510 Q511 F513 L519 H522 H526	C506-R508 PolarHBondContact O-N 3.18Å; C506-R508 PolarHBondContact SG-N 3.26Å; C506-C509 PolarHBondContact SG-N 2.88Å; C506-C509 VanDerWaalsContact SG-SG 3.62Å; C506-F510 WeakPolarHBondContact O-CA 3.48Å; C506-F510 PolarHBondContact O-N 3.29Å; C506-Q511 PolarHBondContact N-O 2.64Å; C506-F513 HydrophobicContact CB-CE2 4.01Å; C506-L519 HydrophobicContact CB-CD1 3.7Å; C506-H522 PolarHBondContact SG-NE2 2.62Å; C506-H522 VanDerWaalsContact SG-NE2 3.42Å; C506-H526 PolarHBondContact SG-NE2 3.39Å; C506-H526 VanDerWaalsContact SG-NE2 3.38Å
507	E	56	Low	60.7	Low	141 Å²	141	97 Å²	97	66%	0.659	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-13.7	-179.5	-55.2	-138.4	129.7	0	0	113.5	K505	K505-E507 VanDerWaalsContact CE-OE1 3.29Å; K505-E507 WeakPolarHBondContact CE-OE1 3.38Å; K505-E507 IonicContact NZ-OE1 2.71Å; K505-E507 PolarHBondContact NZ-OE1 3.31Å; K505-E507 PolarHBondContact O-N 3.44Å
508	R	58.3	Low	60.7	Low	172 Å²	172	93 Å²	93	65%	0.649	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-26.1	-175.5	-163	163.8	-177.2	161.2	-3	113.8	C506	C506-R508 PolarHBondContact O-N 3.18Å; C506-R508 PolarHBondContact SG-N 3.26Å
509	C	53.5	Low	60.9	Low	44 Å²	44	92.6 Å²	92.6	30%	0.297	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.5	-6.8	176.9	80.3	0	0	0	0	115.7	C506 Q511 H522	C506-C509 PolarHBondContact SG-N 2.88Å; C506-C509 VanDerWaalsContact SG-SG 3.62Å; C509-Q511 PolarHBondContact O-N 2.78Å; C509-Q511 PolarHBondContact SG-N 3.41Å; C509-Q511 VanDerWaalsContact SG-N 3.42Å; C509-H522 PolarHBondContact SG-NE2 3.17Å
510	F	53.3	Low	61.3	Low	163 Å²	163	97.6 Å²	97.6	72%	0.715	47%	0.465	S	S	*	.			trans	61.4	21.4	-177.6	-51.6	-79.6	0	0	0	115.8	C506	C506-F510 WeakPolarHBondContact O-CA 3.48Å; C506-F510 PolarHBondContact O-N 3.29Å
511	Q	53.5	Low	61.8	Low	109 Å²	109	94.7 Å²	94.7	51%	0.509	45%	0.454	S	S	.	.			trans	-71.8	154.1	161.3	-69.1	-171.4	50.3	0	0	110.9	C506 C509 F513	C506-Q511 PolarHBondContact N-O 2.64Å; C509-Q511 PolarHBondContact O-N 2.78Å; C509-Q511 PolarHBondContact SG-N 3.41Å; C509-Q511 VanDerWaalsContact SG-N 3.42Å; Q511-F513 HydrophobicContact CB-CE2 3.58Å; Q511-F513 HydrophobicContact CB-CZ 3.59Å
512	T	61.8	Low	62.3	Low	59 Å²	59	88.1 Å²	88.1	36%	0.362	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.7	-176.5	39	0	0	0	0	110.8	S499 M502 Y504 K505	S499-T512 WeakPolarHBondContact OG-CB 3.31Å; S499-T512 PolarHBondContact OG-OG1 3.08Å; M502-T512 VanDerWaalsContact CE-O 3.25Å; M502-T512 WeakPolarHBondContact CE-O 3.24Å; Y504-T512 CarbonylContact O-C 3.59Å; Y504-T512 VanDerWaalsContact O-CA 3.29Å; Y504-T512 WeakPolarHBondContact O-CA 3.16Å; K505-T512 HydrophobicContact CB-CG2 4.14Å
513	F	68.4	Low	62.6	Low	24 Å²	24	88 Å²	88	11%	0.105	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	153.9	-165.5	-61.5	-83.3	0	0	0	110.9	M502 Y504 C506 Q511 E518 L519 H522	M502-F513 WeakPolarHBondContact CB-O 3.38Å; Y504-F513 PolarHBondContact O-N 2.8Å; C506-F513 HydrophobicContact CB-CE2 4.01Å; Q511-F513 HydrophobicContact CB-CE2 3.58Å; Q511-F513 HydrophobicContact CB-CZ 3.59Å; F513-E518 HydrophobicContact CB-CB 3.95Å; F513-E518 HydrophobicContact CD1-CB 3.91Å; F513-E518 HydrophobicContact CG-CB 4.27Å; F513-L519 HydrophobicContact CB-CB 4.16Å; F513-L519 HydrophobicContact CD2-CB 4.09Å; F513-L519 HydrophobicContact CD2-CD1 3.86Å; F513-L519 HydrophobicContact CE2-CD1 4.17Å; F513-L519 HydrophobicContact CG-CB 4.26Å; F513-H522 HydrophobicContact CE1-CB 3.83Å; F513-H522 AromaticContact CE1-CG 3.91Å; F513-H522 HydrophobicContact CE2-CB 4.16Å; F513-H522 AromaticContact CE2-CD2 3.32Å; F513-H522 WeakPolarHBondContact CE2-CD2 3.24Å; F513-H522 AromaticContact CE2-CG 3.79Å; F513-H522 HydrophobicContact CZ-CB 3.62Å; F513-H522 AromaticContact CZ-CD2 3.23Å; F513-H522 WeakPolarHBondContact CZ-CD2 3.21Å; F513-H522 AromaticContact CZ-CG 3.23Å; F513-H522 AromaticContact CZ-ND1 3.91Å; F513-H522 AromaticContact CZ-NE2 3.89Å
514	A	64.3	Low	62.7	Low	33 Å²	33	86.9 Å²	86.9	27%	0.273	42%	0.418	S	S	.	.	S	Bend	trans	-77.6	-43.1	-175.4	0	0	0	0	0	111	M502 Y504 E518	M502-A514 HydrophobicContact CE-CB 4.28Å; M502-A514 WeakPolarHBondContact SD-CA 3.29Å; M502-A514 HydrophobicContact SD-CB 3.67Å; Y504-A514 WeakPolarHBondContact CD2-O 3.26Å; A514-E518 PolarHBondContact N-OE2 3.28Å
515	E	68.4	Low	62.7	Low	116 Å²	116	86.8 Å²	86.8	54%	0.542	43%	0.426	S	S	.	.	S	Bend	trans	-119.5	157.4	-176.8	-70.1	123.4	-149.6	0	0	110.8	E517 E518 L519	E515-E517 VanDerWaalsContact C-N 3.26Å; E515-E517 PolarHBondContact O-N 2.82Å; E515-E518 PolarHBondContact O-N 2.99Å; E515-L519 PolarHBondContact O-N 3.17Å
516	E	68.9	Low	62.8	Low	119 Å²	119	83.4 Å²	83.4	56%	0.556	41%	0.412	S	S	*	.	H	α-helix	trans	-66.6	-31.1	177.8	-158.9	155.8	178.1	0	0	111.8	Y504 L519 M520	Y504-E516 HydrophobicContact CD1-CB 3.89Å; Y504-E516 HydrophobicContact CD1-CG 3.87Å; Y504-E516 HydrophobicContact CE1-CB 3.53Å; Y504-E516 VanDerWaalsContact CE1-CD 3.46Å; Y504-E516 HydrophobicContact CE1-CG 3.59Å; Y504-E516 WeakPolarHBondContact CE1-OE2 3.43Å; Y504-E516 HydrophobicContact CE2-CB 4.32Å; Y504-E516 HydrophobicContact CG-CB 4.41Å; Y504-E516 PolarHBondContact OH-OE2 3.04Å; E516-L519 WeakPolarHBondContact O-CB 3.5Å; E516-L519 PolarHBondContact O-N 3.25Å; E516-M520 WeakPolarHBondContact O-CB 3.28Å; E516-M520 PolarHBondContact O-N 3.39Å
517	E	71.7	Confident	62.6	Low	147 Å²	147	90 Å²	90	69%	0.687	44%	0.441	S	S	*	.	H	α-helix	trans	-65.4	-43.4	175.2	-169.9	175.6	174.7	0	0	112.2	E515 L519 M520 Q521	E515-E517 VanDerWaalsContact C-N 3.26Å; E515-E517 PolarHBondContact O-N 2.82Å; E517-L519 VanDerWaalsContact C-N 3.3Å; E517-L519 PolarHBondContact O-N 2.92Å; E517-M520 PolarHBondContact O-N 3.32Å; E517-Q521 WeakPolarHBondContact O-CB 3.44Å; E517-Q521 PolarHBondContact O-N 3.13Å
518	E	64.2	Low	62.4	Low	62 Å²	62	88.9 Å²	88.9	29%	0.29	44%	0.436	S	S	.	.	H	α-helix	trans	-60.7	-39.7	172.1	-72	-164.9	133	0	0	111.7	K495 F513 A514 E515 H522	K495-E518 WeakPolarHBondContact CE-OE2 3.46Å; K495-E518 IonicContact NZ-OE1 3.61Å; K495-E518 PolarHBondContact NZ-OE1 3Å; K495-E518 IonicContact NZ-OE2 2.98Å; K495-E518 PolarHBondContact NZ-OE2 3.32Å; F513-E518 HydrophobicContact CB-CB 3.95Å; F513-E518 HydrophobicContact CD1-CB 3.91Å; F513-E518 HydrophobicContact CG-CB 4.27Å; A514-E518 PolarHBondContact N-OE2 3.28Å; E515-E518 PolarHBondContact O-N 2.99Å; E518-H522 WeakPolarHBondContact O-CB 3.48Å; E518-H522 PolarHBondContact O-N 3.13Å
519	L	69	Low	62.1	Low	37 Å²	37	83.9 Å²	83.9	19%	0.194	42%	0.423	C	S	.	.	H	α-helix	trans	-66.9	-39.6	175.4	170.8	61.5	0	0	0	111.6	Y504 C506 F513 E515 E516 E517 H522 G523	Y504-L519 HydrophobicContact CD1-CD2 4.31Å; C506-L519 HydrophobicContact CB-CD1 3.7Å; F513-L519 HydrophobicContact CB-CB 4.16Å; F513-L519 HydrophobicContact CD2-CB 4.09Å; F513-L519 HydrophobicContact CD2-CD1 3.86Å; F513-L519 HydrophobicContact CE2-CD1 4.17Å; F513-L519 HydrophobicContact CG-CB 4.26Å; E515-L519 PolarHBondContact O-N 3.17Å; E516-L519 WeakPolarHBondContact O-CB 3.5Å; E516-L519 PolarHBondContact O-N 3.25Å; E517-L519 VanDerWaalsContact C-N 3.3Å; E517-L519 PolarHBondContact O-N 2.92Å; L519-H522 CarbonylContact O-C 3.59Å; L519-H522 PolarHBondContact O-N 3.43Å; L519-G523 PolarHBondContact O-N 2.91Å
520	M	67.2	Low	61.8	Low	127 Å²	127	90 Å²	90	63%	0.626	44%	0.444	S	S	*	.	H	α-helix	trans	-69.8	-47.1	-179.3	-177.5	163.5	55.1	0	0	111.4	E516 E517 H522 G523 L524	E516-M520 WeakPolarHBondContact O-CB 3.28Å; E516-M520 PolarHBondContact O-N 3.39Å; E517-M520 PolarHBondContact O-N 3.32Å; M520-H522 VanDerWaalsContact C-N 3.3Å; M520-H522 PolarHBondContact O-N 3.23Å; M520-G523 CarbonylContact O-C 3.38Å; M520-G523 VanDerWaalsContact O-CA 3.3Å; M520-G523 WeakPolarHBondContact O-CA 3.4Å; M520-G523 PolarHBondContact O-N 3.2Å; M520-L524 PolarHBondContact O-N 2.91Å
521	Q	66.3	Low	62.1	Low	142 Å²	142	84.3 Å²	84.3	66%	0.664	42%	0.423	S	S	*	.	H	α-helix	trans	-62.4	-37.4	173	-169.9	-178.4	62.6	0	0	111.4	E517 G523 L524 T525	E517-Q521 WeakPolarHBondContact O-CB 3.44Å; E517-Q521 PolarHBondContact O-N 3.13Å; Q521-G523 VanDerWaalsContact C-N 3.34Å; Q521-L524 WeakPolarHBondContact O-CB 3.44Å; Q521-L524 PolarHBondContact O-N 3.11Å; Q521-T525 PolarHBondContact O-N 3.13Å
522	H	67.8	Low	62.4	Low	23 Å²	23	82.9 Å²	82.9	11%	0.106	42%	0.416	C	S	.	.	H	α-helix	trans	-67.6	-32.8	169.7	172.9	58.7	0	0	0	112.9	C506 C509 F513 E518 L519 M520 L524 T525 H526	C506-H522 PolarHBondContact SG-NE2 2.62Å; C506-H522 VanDerWaalsContact SG-NE2 3.42Å; C509-H522 PolarHBondContact SG-NE2 3.17Å; F513-H522 HydrophobicContact CE1-CB 3.83Å; F513-H522 AromaticContact CE1-CG 3.91Å; F513-H522 HydrophobicContact CE2-CB 4.16Å; F513-H522 AromaticContact CE2-CD2 3.32Å; F513-H522 WeakPolarHBondContact CE2-CD2 3.24Å; F513-H522 AromaticContact CE2-CG 3.79Å; F513-H522 HydrophobicContact CZ-CB 3.62Å; F513-H522 AromaticContact CZ-CD2 3.23Å; F513-H522 WeakPolarHBondContact CZ-CD2 3.21Å; F513-H522 AromaticContact CZ-CG 3.23Å; F513-H522 AromaticContact CZ-ND1 3.91Å; F513-H522 AromaticContact CZ-NE2 3.89Å; E518-H522 WeakPolarHBondContact O-CB 3.48Å; E518-H522 PolarHBondContact O-N 3.13Å; L519-H522 CarbonylContact O-C 3.59Å; L519-H522 PolarHBondContact O-N 3.43Å; M520-H522 VanDerWaalsContact C-N 3.3Å; M520-H522 PolarHBondContact O-N 3.23Å; H522-L524 VanDerWaalsContact C-N 3.31Å; H522-L524 PolarHBondContact O-N 3.17Å; H522-T525 PolarHBondContact ND1-OG1 3.18Å; H522-T525 WeakPolarHBondContact O-CA 3.08Å; H522-T525 WeakPolarHBondContact O-CB 3.24Å; H522-T525 PolarHBondContact O-N 3.43Å; H522-T525 PolarHBondContact O-OG1 3.3Å; H522-H526 AromaticContact CE1-NE2 3.77Å; H522-H526 AromaticContact NE2-CD2 3.96Å; H522-H526 AromaticContact NE2-NE2 3.44Å; H522-H526 PolarHBondContact NE2-NE2 2.77Å
523	G	62	Low	62.6	Low	27 Å²	27	86.2 Å²	86.2	28%	0.278	43%	0.427	S	S	.	.	H	α-helix	trans	-57.8	-43.9	170.9	0	0	0	0	0	111.7	L519 M520 Q521 T525 H526	L519-G523 PolarHBondContact O-N 2.91Å; M520-G523 CarbonylContact O-C 3.38Å; M520-G523 VanDerWaalsContact O-CA 3.3Å; M520-G523 WeakPolarHBondContact O-CA 3.4Å; M520-G523 PolarHBondContact O-N 3.2Å; Q521-G523 VanDerWaalsContact C-N 3.34Å; G523-T525 VanDerWaalsContact C-N 3.26Å; G523-T525 PolarHBondContact O-N 2.73Å; G523-H526 WeakPolarHBondContact O-CB 3.18Å; G523-H526 PolarHBondContact O-N 3.29Å
524	L	65.9	Low	62.8	Low	78 Å²	78	85.5 Å²	85.5	41%	0.408	43%	0.425	S	S	.	.	H	α-helix	trans	-57.8	-37.8	171	-60.6	175.9	0	0	0	111.3	M520 Q521 H522 H526 E527 E528	M520-L524 PolarHBondContact O-N 2.91Å; Q521-L524 WeakPolarHBondContact O-CB 3.44Å; Q521-L524 PolarHBondContact O-N 3.11Å; H522-L524 VanDerWaalsContact C-N 3.31Å; H522-L524 PolarHBondContact O-N 3.17Å; L524-H526 PolarHBondContact O-N 2.96Å; L524-E527 CarbonylContact O-C 3.6Å; L524-E527 PolarHBondContact O-N 2.85Å; L524-E528 HydrophobicContact CB-CG 4.46Å; L524-E528 WeakPolarHBondContact O-CA 3.45Å; L524-E528 WeakPolarHBondContact O-CB 3.45Å; L524-E528 PolarHBondContact O-N 3.19Å
525	T	57.6	Low	62.9	Low	72 Å²	72	87.9 Å²	87.9	44%	0.442	44%	0.444	S	S	.	.	H	α-helix	trans	-65.2	0.4	172.6	76.6	0	0	0	0	115.4	Q521 H522 G523 N529	Q521-T525 PolarHBondContact O-N 3.13Å; H522-T525 PolarHBondContact ND1-OG1 3.18Å; H522-T525 WeakPolarHBondContact O-CA 3.08Å; H522-T525 WeakPolarHBondContact O-CB 3.24Å; H522-T525 PolarHBondContact O-N 3.43Å; H522-T525 PolarHBondContact O-OG1 3.3Å; G523-T525 VanDerWaalsContact C-N 3.26Å; G523-T525 PolarHBondContact O-N 2.73Å; T525-N529 PolarHBondContact O-ND2 2.82Å
526	H	58.8	Low	62.7	Low	49 Å²	49	88 Å²	88	23%	0.227	45%	0.445	C	S	.	.	H	α-helix	trans	-99.3	-17.5	166.3	-75.7	-45	0	0	0	114.6	C506 H522 G523 L524	C506-H526 PolarHBondContact SG-NE2 3.39Å; C506-H526 VanDerWaalsContact SG-NE2 3.38Å; H522-H526 AromaticContact CE1-NE2 3.77Å; H522-H526 AromaticContact NE2-CD2 3.96Å; H522-H526 AromaticContact NE2-NE2 3.44Å; H522-H526 PolarHBondContact NE2-NE2 2.77Å; G523-H526 WeakPolarHBondContact O-CB 3.18Å; G523-H526 PolarHBondContact O-N 3.29Å; L524-H526 PolarHBondContact O-N 2.96Å
527	E	58.9	Low	62.9	Low	146 Å²	146	84.2 Å²	84.2	68%	0.682	43%	0.431	S	S	*	.	H	α-helix	trans	-106.6	-49.7	179.7	-66	178.4	155.4	0	0	109.5	L524 N529	L524-E527 CarbonylContact O-C 3.6Å; L524-E527 PolarHBondContact O-N 2.85Å; E527-N529 PolarHBondContact O-N 3.41Å
528	E	51	Low	62.9	Low	118 Å²	118	85 Å²	85	55%	0.551	44%	0.44	S	S	*	.			trans	-75.7	36.1	168.2	-55.3	-162.3	108.5	0	0	114.1	L524 K530	L524-E528 HydrophobicContact CB-CG 4.46Å; L524-E528 WeakPolarHBondContact O-CA 3.45Å; L524-E528 WeakPolarHBondContact O-CB 3.45Å; L524-E528 PolarHBondContact O-N 3.19Å; E528-K530 PolarHBondContact O-N 3Å
529	N	51.6	Low	63.1	Low	67 Å²	67	85.9 Å²	85.9	36%	0.358	44%	0.444	S	S	.	.			trans	-69.9	79.2	150	-78.2	-85.1	0	0	0	107.2	T525 E527 T531 S542	T525-N529 PolarHBondContact O-ND2 2.82Å; E527-N529 PolarHBondContact O-N 3.41Å; N529-T531 HydrophobicContact CB-CG2 4.13Å; N529-T531 WeakPolarHBondContact O-CG2 3.47Å; N529-T531 PolarHBondContact O-N 3.27Å; N529-S542 WeakPolarHBondContact OD1-CB 3.35Å
530	K	48.3	Very low	63.2	Low	171 Å²	171	91.4 Å²	91.4	74%	0.743	47%	0.466	S	S	*	.			trans	-61.4	78.8	162.5	-76.3	-173.7	178.1	-179.6	0	107.1	E528 H532	E528-K530 PolarHBondContact O-N 3Å; K530-H532 PolarHBondContact O-N 3.44Å
531	T	59.3	Low	63.4	Low	44 Å²	44	85.8 Å²	85.8	27%	0.27	44%	0.44	S	S	.	.			trans	-64.5	123.3	-164.9	52.9	0	0	0	0	109.9	N529 H533 K540 S541	N529-T531 HydrophobicContact CB-CG2 4.13Å; N529-T531 WeakPolarHBondContact O-CG2 3.47Å; N529-T531 PolarHBondContact O-N 3.27Å; T531-H533 PolarHBondContact O-N 3.33Å; T531-K540 HydrophobicContact CG2-CB 4.08Å; T531-K540 WeakPolarHBondContact OG1-CB 3.25Å; T531-K540 WeakPolarHBondContact OG1-CG 3.47Å; T531-S541 CarbonylContact C-O 3.58Å; T531-S541 VanDerWaalsContact CA-O 3.26Å; T531-S541 WeakPolarHBondContact CA-O 3.32Å; T531-S541 WeakPolarHBondContact CB-O 3.41Å
532	H	59.8	Low	63.4	Low	79 Å²	79	82.9 Å²	82.9	37%	0.366	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	108.1	170.7	-61.2	-77.2	0	0	0	108.2	K530 S541 S544 L547	K530-H532 PolarHBondContact O-N 3.44Å; H532-S541 PolarHBondContact N-O 2.77Å; H532-S541 PolarHBondContact O-N 2.92Å; H532-S541 PolarHBondContact O-OG 3.33Å; H532-S544 PolarHBondContact CD2-N 2.88Å; H532-S544 PolarHBondContact NE2-N 3.14Å; H532-L547 HydrophobicContact CB-CB 3.84Å; H532-L547 HydrophobicContact CB-CD2 3.72Å; H532-L547 HydrophobicContact CB-CG 4.32Å
533	H	65.6	Low	63.7	Low	130 Å²	130	85.2 Å²	85.2	60%	0.602	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	149.7	-176.7	57.5	-98	0	0	0	110.3	T531 L547	T531-H533 PolarHBondContact O-N 3.33Å; H533-L547 WeakPolarHBondContact O-CD1 3.33Å; H533-L547 WeakPolarHBondContact O-CD2 3.16Å
534	C	72.4	Confident	64.1	Low	8 Å²	8	86.1 Å²	86.1	5%	0.054	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	122	173.5	-170.3	0	0	0	0	110.9	H536 C537 H539 L547 H550 H555	C534-H536 PolarHBondContact O-N 3.04Å; C534-C537 WeakPolarHBondContact CB-O 3.15Å; C534-C537 PolarHBondContact O-N 3.3Å; C534-C537 VanDerWaalsContact O-N 3.16Å; C534-H539 HydrophobicContact CB-CB 4.48Å; C534-H539 PolarHBondContact N-O 3.32Å; C534-H539 VanDerWaalsContact N-O 3.13Å; C534-L547 HydrophobicContact CB-CD1 3.82Å; C534-H550 WeakPolarHBondContact CB-NE2 3.36Å; C534-H550 PolarHBondContact SG-CD2 3.01Å; C534-H550 PolarHBondContact SG-NE2 3.35Å; C534-H555 PolarHBondContact SG-CD2 3.43Å; C534-H555 PolarHBondContact SG-NE2 3.09Å
535	A	66.1	Low	64.5	Low	83 Å²	83	85.7 Å²	85.7	69%	0.686	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	9.5	172.9	0	0	0	0	0	114.9
536	H	63.9	Low	65.3	Low	118 Å²	118	85 Å²	85	55%	0.546	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138	-4.4	-177.1	-54.4	-38.1	0	0	0	113.4	C534 H555	C534-H536 PolarHBondContact O-N 3.04Å; H536-H555 WeakPolarHBondContact CB-ND1 3.45Å; H536-H555 AromaticContact CD2-CG 3.94Å; H536-H555 PolarHBondContact O-CE1 2.92Å
537	C	74.3	Confident	66	Low	40 Å²	40	83.8 Å²	83.8	27%	0.27	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	169.5	167.8	67.7	0	0	0	0	112.3	C534 H539 H550 H555	C534-C537 WeakPolarHBondContact CB-O 3.15Å; C534-C537 PolarHBondContact O-N 3.3Å; C534-C537 VanDerWaalsContact O-N 3.16Å; C537-H539 PolarHBondContact O-N 3.25Å; C537-H550 PolarHBondContact SG-CE1 3.15Å; C537-H550 PolarHBondContact SG-NE2 3.44Å; C537-H555 VanDerWaalsContact CB-CE1 3.4Å; C537-H555 WeakPolarHBondContact CB-CE1 3.23Å; C537-H555 VanDerWaalsContact CB-NE2 3.32Å; C537-H555 WeakPolarHBondContact CB-NE2 3.32Å; C537-H555 PolarHBondContact SG-NE2 3.05Å
538	D	71.4	Confident	66.7	Low	165 Å²	165	83.4 Å²	83.4	88%	0.882	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	13.8	-175.1	-41.7	-66.7	0	0	0	115.8	K540	D538-K540 PolarHBondContact O-N 3.46Å; D538-K540 VanDerWaalsContact O-N 3.13Å
539	H	67.9	Low	67.9	Low	80 Å²	80	81.4 Å²	81.4	37%	0.37	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	108.9	178.6	-170.8	63.6	0	0	0	111.4	C534 C537 H550	C534-H539 HydrophobicContact CB-CB 4.48Å; C534-H539 PolarHBondContact N-O 3.32Å; C534-H539 VanDerWaalsContact N-O 3.13Å; C537-H539 PolarHBondContact O-N 3.25Å; H539-H550 WeakPolarHBondContact CB-NE2 3.48Å; H539-H550 AromaticContact CD2-CD2 3.79Å; H539-H550 AromaticContact CD2-CG 3.34Å; H539-H550 AromaticContact CD2-ND1 3.44Å; H539-H550 PolarHBondContact CD2-ND1 3.42Å; H539-H550 AromaticContact CG-CE1 3.92Å; H539-H550 AromaticContact CG-CG 3.92Å; H539-H550 AromaticContact CG-ND1 3.63Å
540	K	71.8	Confident	69.1	Low	152 Å²	152	79.8 Å²	79.8	66%	0.661	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	128.8	172.3	-69.9	-176.2	178.7	-171.4	0	109.9	T531 D538	T531-K540 HydrophobicContact CG2-CB 4.08Å; T531-K540 WeakPolarHBondContact OG1-CB 3.25Å; T531-K540 WeakPolarHBondContact OG1-CG 3.47Å; D538-K540 PolarHBondContact O-N 3.46Å; D538-K540 VanDerWaalsContact O-N 3.13Å
541	S	70.6	Confident	70.4	Confident	9 Å²	9	73.7 Å²	73.7	6%	0.063	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	146.2	-178.4	66.9	0	0	0	0	112.2	T531 H532 N543 L547	T531-S541 CarbonylContact C-O 3.58Å; T531-S541 VanDerWaalsContact CA-O 3.26Å; T531-S541 WeakPolarHBondContact CA-O 3.32Å; T531-S541 WeakPolarHBondContact CB-O 3.41Å; H532-S541 PolarHBondContact N-O 2.77Å; H532-S541 PolarHBondContact O-N 2.92Å; H532-S541 PolarHBondContact O-OG 3.33Å; S541-N543 VanDerWaalsContact C-N 3.29Å; S541-N543 PolarHBondContact O-N 2.95Å; S541-L547 WeakPolarHBondContact OG-CA 3.45Å; S541-L547 WeakPolarHBondContact OG-CB 3.33Å; S541-L547 PolarHBondContact OG-N 3.01Å
542	S	66.3	Low	71.1	Confident	82 Å²	82	73.5 Å²	73.5	57%	0.573	39%	0.388	S	S	*	.	S	Bend	trans	-83	4.4	-175.8	50.9	0	0	0	0	114.6	N529	N529-S542 WeakPolarHBondContact OD1-CB 3.35Å
543	N	73.4	Confident	71.7	Confident	72 Å²	72	71.7 Å²	71.7	39%	0.385	39%	0.385	S	S	.	.	S	Bend	trans	-155.1	136.8	-179.7	-167.1	-63	0	0	0	111	S541 S545 D546 L547	S541-N543 VanDerWaalsContact C-N 3.29Å; S541-N543 PolarHBondContact O-N 2.95Å; N543-S545 PolarHBondContact O-N 2.84Å; N543-S545 VanDerWaalsContact O-N 3.14Å; N543-S545 WeakPolarHBondContact OD1-CB 3.47Å; N543-S545 PolarHBondContact OD1-N 3.31Å; N543-S545 PolarHBondContact OD1-OG 3.06Å; N543-D546 HydrophobicContact CB-CB 4.34Å; N543-D546 WeakPolarHBondContact CB-OD2 3.3Å; N543-D546 WeakPolarHBondContact O-CA 3.46Å; N543-D546 WeakPolarHBondContact O-CB 3.23Å; N543-D546 PolarHBondContact O-N 3.15Å; N543-L547 PolarHBondContact O-N 2.66Å
544	S	71.8	Confident	71.8	Confident	46 Å²	46	68.6 Å²	68.6	32%	0.322	38%	0.375	S	S	.	.	H	α-helix	trans	-60.1	-25	178.3	64.8	0	0	0	0	113.4	H532 K548	H532-S544 PolarHBondContact CD2-N 2.88Å; H532-S544 PolarHBondContact NE2-N 3.14Å; S544-K548 WeakPolarHBondContact O-CB 3.39Å; S544-K548 VanDerWaalsContact O-CG 3.25Å; S544-K548 WeakPolarHBondContact O-CG 3.48Å; S544-K548 PolarHBondContact O-N 2.89Å
545	S	74.8	Confident	71.7	Confident	69 Å²	69	71.7 Å²	71.7	48%	0.483	39%	0.388	S	S	.	.	H	α-helix	trans	-76.5	-21	173.2	-57.4	0	0	0	0	113.8	N543 R549	N543-S545 PolarHBondContact O-N 2.84Å; N543-S545 VanDerWaalsContact O-N 3.14Å; N543-S545 WeakPolarHBondContact OD1-CB 3.47Å; N543-S545 PolarHBondContact OD1-N 3.31Å; N543-S545 PolarHBondContact OD1-OG 3.06Å; S545-R549 PolarHBondContact O-NH2 3.01Å
546	D	74.3	Confident	71.9	Confident	57 Å²	57	71.6 Å²	71.6	31%	0.305	38%	0.379	S	S	.	.	H	α-helix	trans	-85.1	-41.3	169.6	-67.5	-48	0	0	0	109.9	N543 K548 R549 H550	N543-D546 HydrophobicContact CB-CB 4.34Å; N543-D546 WeakPolarHBondContact CB-OD2 3.3Å; N543-D546 WeakPolarHBondContact O-CA 3.46Å; N543-D546 WeakPolarHBondContact O-CB 3.23Å; N543-D546 PolarHBondContact O-N 3.15Å; D546-K548 PolarHBondContact O-N 3.38Å; D546-R549 WeakPolarHBondContact O-CB 3.05Å; D546-R549 PolarHBondContact O-N 3.01Å; D546-R549 VanDerWaalsContact O-N 3.15Å; D546-R549 IonicContact OD1-CZ 2.69Å; D546-R549 IonicContact OD1-NH1 2.82Å; D546-R549 PolarHBondContact OD1-NH1 3.33Å; D546-R549 IonicContact OD1-NH2 2.74Å; D546-R549 PolarHBondContact OD1-NH2 3.27Å; D546-H550 PolarHBondContact O-N 2.67Å
547	L	73.5	Confident	72.1	Confident	23 Å²	23	72.4 Å²	72.4	12%	0.12	38%	0.381	C	S	.	.	H	α-helix	trans	-56.8	-50.5	171.6	-179.6	59.8	0	0	0	112	H532 H533 C534 S541 N543 R549 H550 I551	H532-L547 HydrophobicContact CB-CB 3.84Å; H532-L547 HydrophobicContact CB-CD2 3.72Å; H532-L547 HydrophobicContact CB-CG 4.32Å; H533-L547 WeakPolarHBondContact O-CD1 3.33Å; H533-L547 WeakPolarHBondContact O-CD2 3.16Å; C534-L547 HydrophobicContact CB-CD1 3.82Å; S541-L547 WeakPolarHBondContact OG-CA 3.45Å; S541-L547 WeakPolarHBondContact OG-CB 3.33Å; S541-L547 PolarHBondContact OG-N 3.01Å; N543-L547 PolarHBondContact O-N 2.66Å; L547-R549 PolarHBondContact O-N 2.62Å; L547-H550 WeakPolarHBondContact O-CA 3.41Å; L547-H550 WeakPolarHBondContact O-CB 3.25Å; L547-H550 PolarHBondContact O-N 3.34Å; L547-I551 HydrophobicContact CD1-CD1 3.96Å; L547-I551 HydrophobicContact CD1-CG1 4.03Å; L547-I551 HydrophobicContact CD2-CD1 4.15Å; L547-I551 HydrophobicContact CG-CD1 3.74Å; L547-I551 HydrophobicContact CG-CG1 4.25Å; L547-I551 WeakPolarHBondContact O-CG1 3.41Å; L547-I551 PolarHBondContact O-N 3.08Å
548	K	73.4	Confident	71.8	Confident	138 Å²	138	75 Å²	75	60%	0.6	39%	0.393	S	S	*	.	H	α-helix	trans	-59.9	-33.6	179.2	-74.9	170.3	-179.5	177.9	0	111.5	S544 D546 I552	S544-K548 WeakPolarHBondContact O-CB 3.39Å; S544-K548 VanDerWaalsContact O-CG 3.25Å; S544-K548 WeakPolarHBondContact O-CG 3.48Å; S544-K548 PolarHBondContact O-N 2.89Å; D546-K548 PolarHBondContact O-N 3.38Å; K548-I552 WeakPolarHBondContact O-CB 3.02Å; K548-I552 WeakPolarHBondContact O-CD1 3.41Å; K548-I552 WeakPolarHBondContact O-CG1 3.27Å; K548-I552 PolarHBondContact O-N 2.76Å; K548-I552 VanDerWaalsContact O-N 3.09Å
549	R	75.1	Confident	71.8	Confident	76 Å²	76	70.3 Å²	70.3	29%	0.287	36%	0.363	S	S	.	.	H	α-helix	trans	-69	-43.2	172.7	-164.2	-173.8	-47	115	28	111.8	S545 D546 L547 I552 S553 H571	S545-R549 PolarHBondContact O-NH2 3.01Å; D546-R549 WeakPolarHBondContact O-CB 3.05Å; D546-R549 PolarHBondContact O-N 3.01Å; D546-R549 VanDerWaalsContact O-N 3.15Å; D546-R549 IonicContact OD1-CZ 2.69Å; D546-R549 IonicContact OD1-NH1 2.82Å; D546-R549 PolarHBondContact OD1-NH1 3.33Å; D546-R549 IonicContact OD1-NH2 2.74Å; D546-R549 PolarHBondContact OD1-NH2 3.27Å; L547-R549 PolarHBondContact O-N 2.62Å; R549-I552 PolarHBondContact O-N 3.42Å; R549-S553 VanDerWaalsContact O-CB 3.25Å; R549-S553 WeakPolarHBondContact O-CB 3.45Å; R549-S553 PolarHBondContact O-N 2.82Å; R549-S553 PolarHBondContact O-OG 3.31Å; R549-H571 HydrophobicContact CG-CB 4.1Å
550	H	78.2	Confident	72.1	Confident	33 Å²	33	70.3 Å²	70.3	15%	0.153	37%	0.37	C	S	.	.	H	α-helix	trans	-59.3	-51.9	175.5	170.6	77	0	0	0	111.5	C534 C537 H539 D546 L547 I552 S553 V554 H555	C534-H550 WeakPolarHBondContact CB-NE2 3.36Å; C534-H550 PolarHBondContact SG-CD2 3.01Å; C534-H550 PolarHBondContact SG-NE2 3.35Å; C537-H550 PolarHBondContact SG-CE1 3.15Å; C537-H550 PolarHBondContact SG-NE2 3.44Å; H539-H550 WeakPolarHBondContact CB-NE2 3.48Å; H539-H550 AromaticContact CD2-CD2 3.79Å; H539-H550 AromaticContact CD2-CG 3.34Å; H539-H550 AromaticContact CD2-ND1 3.44Å; H539-H550 PolarHBondContact CD2-ND1 3.42Å; H539-H550 AromaticContact CG-CE1 3.92Å; H539-H550 AromaticContact CG-CG 3.92Å; H539-H550 AromaticContact CG-ND1 3.63Å; D546-H550 PolarHBondContact O-N 2.67Å; L547-H550 WeakPolarHBondContact O-CA 3.41Å; L547-H550 WeakPolarHBondContact O-CB 3.25Å; L547-H550 PolarHBondContact O-N 3.34Å; H550-I552 VanDerWaalsContact C-N 3.34Å; H550-I552 PolarHBondContact O-N 3.46Å; H550-S553 WeakPolarHBondContact CA-OG 3.44Å; H550-S553 PolarHBondContact O-N 3.42Å; H550-S553 VanDerWaalsContact O-N 3.16Å; H550-S553 PolarHBondContact O-OG 2.86Å; H550-S553 VanDerWaalsContact O-OG 3.09Å; H550-V554 VanDerWaalsContact CE1-CG2 3.5Å; H550-V554 WeakPolarHBondContact CE1-CG2 3.43Å; H550-V554 WeakPolarHBondContact O-CB 3.36Å; H550-V554 PolarHBondContact O-N 3.27Å; H550-H555 AromaticContact CD2-NE2 3.84Å; H550-H555 AromaticContact CE1-NE2 3.67Å; H550-H555 AromaticContact NE2-CD2 3.53Å; H550-H555 AromaticContact NE2-NE2 2.11Å; H550-H555 PolarHBondContact NE2-NE2 3.03Å
551	I	75.2	Confident	72.1	Confident	43 Å²	43	66.1 Å²	66.1	22%	0.221	35%	0.353	C	S	.	.	I	π-helix	trans	-54.5	-48.7	176.1	-66.9	170.5	0	0	0	111.1	L547 S553 H555 T556	L547-I551 HydrophobicContact CD1-CD1 3.96Å; L547-I551 HydrophobicContact CD1-CG1 4.03Å; L547-I551 HydrophobicContact CD2-CD1 4.15Å; L547-I551 HydrophobicContact CG-CD1 3.74Å; L547-I551 HydrophobicContact CG-CG1 4.25Å; L547-I551 WeakPolarHBondContact O-CG1 3.41Å; L547-I551 PolarHBondContact O-N 3.08Å; I551-S553 PolarHBondContact O-N 2.97Å; I551-H555 WeakPolarHBondContact O-CA 3.43Å; I551-H555 WeakPolarHBondContact O-CB 3.43Å; I551-H555 PolarHBondContact O-N 3.15Å; I551-T556 HydrophobicContact CG2-CG2 4.25Å; I551-T556 PolarHBondContact O-N 3.47Å
552	I	73.6	Confident	72.3	Confident	40 Å²	40	71.4 Å²	71.4	21%	0.205	38%	0.375	C	S	.	.	I	π-helix	trans	-69.3	-32.3	-179.1	-63.9	166	0	0	0	112.4	K548 R549 H550 K557 D558 Y559	K548-I552 WeakPolarHBondContact O-CB 3.02Å; K548-I552 WeakPolarHBondContact O-CD1 3.41Å; K548-I552 WeakPolarHBondContact O-CG1 3.27Å; K548-I552 PolarHBondContact O-N 2.76Å; K548-I552 VanDerWaalsContact O-N 3.09Å; R549-I552 PolarHBondContact O-N 3.42Å; H550-I552 VanDerWaalsContact C-N 3.34Å; H550-I552 PolarHBondContact O-N 3.46Å; I552-K557 WeakPolarHBondContact O-CA 3.3Å; I552-K557 PolarHBondContact O-N 2.93Å; I552-D558 VanDerWaalsContact CG2-O 3.3Å; I552-D558 WeakPolarHBondContact CG2-O 3.29Å; I552-Y559 HydrophobicContact CG2-CD1 4.46Å
553	S	72.9	Confident	72.9	Confident	42 Å²	42	67.9 Å²	67.9	29%	0.294	35%	0.35	S	S	.	.	I	π-helix	trans	-85	-35.6	-176.3	54.6	0	0	0	0	114.3	R549 H550 I551	R549-S553 VanDerWaalsContact O-CB 3.25Å; R549-S553 WeakPolarHBondContact O-CB 3.45Å; R549-S553 PolarHBondContact O-N 2.82Å; R549-S553 PolarHBondContact O-OG 3.31Å; H550-S553 WeakPolarHBondContact CA-OG 3.44Å; H550-S553 PolarHBondContact O-N 3.42Å; H550-S553 VanDerWaalsContact O-N 3.16Å; H550-S553 PolarHBondContact O-OG 2.86Å; H550-S553 VanDerWaalsContact O-OG 3.09Å; I551-S553 PolarHBondContact O-N 2.97Å
554	V	66.8	Low	72.7	Confident	64 Å²	64	69.7 Å²	69.7	39%	0.388	38%	0.375	S	S	.	.	I	π-helix	trans	-95.5	-47.7	-175.4	179.5	0	0	0	0	111	H550 K557	H550-V554 VanDerWaalsContact CE1-CG2 3.5Å; H550-V554 WeakPolarHBondContact CE1-CG2 3.43Å; H550-V554 WeakPolarHBondContact O-CB 3.36Å; H550-V554 PolarHBondContact O-N 3.27Å; V554-K557 WeakPolarHBondContact O-CE 3.14Å
555	H	71.3	Confident	72.5	Confident	73 Å²	73	72.4 Å²	72.4	34%	0.338	39%	0.389	S	S	.	.	I	π-helix	trans	-98.2	-60.9	-165.4	-63	-70.1	0	0	0	113.1	C534 H536 C537 H550 I551	C534-H555 PolarHBondContact SG-CD2 3.43Å; C534-H555 PolarHBondContact SG-NE2 3.09Å; H536-H555 WeakPolarHBondContact CB-ND1 3.45Å; H536-H555 AromaticContact CD2-CG 3.94Å; H536-H555 PolarHBondContact O-CE1 2.92Å; C537-H555 VanDerWaalsContact CB-CE1 3.4Å; C537-H555 WeakPolarHBondContact CB-CE1 3.23Å; C537-H555 VanDerWaalsContact CB-NE2 3.32Å; C537-H555 WeakPolarHBondContact CB-NE2 3.32Å; C537-H555 PolarHBondContact SG-NE2 3.05Å; H550-H555 AromaticContact CD2-NE2 3.84Å; H550-H555 AromaticContact CE1-NE2 3.67Å; H550-H555 AromaticContact NE2-CD2 3.53Å; H550-H555 AromaticContact NE2-NE2 2.11Å; H550-H555 PolarHBondContact NE2-NE2 3.03Å; I551-H555 WeakPolarHBondContact O-CA 3.43Å; I551-H555 WeakPolarHBondContact O-CB 3.43Å; I551-H555 PolarHBondContact O-N 3.15Å
556	T	69.5	Low	72.3	Confident	81 Å²	81	71.5 Å²	71.5	50%	0.497	38%	0.382	S	S	.	.	I	π-helix	trans	-85.3	-30.6	-174.7	70.2	0	0	0	0	113.9	I551 D558	I551-T556 HydrophobicContact CG2-CG2 4.25Å; I551-T556 PolarHBondContact O-N 3.47Å; T556-D558 PolarHBondContact O-N 3.46Å
557	K	67.3	Low	72	Confident	136 Å²	136	71.5 Å²	71.5	59%	0.591	40%	0.396	S	S	*	.			trans	56	12.8	-175.8	-65.2	168	-173.2	154.8	0	114.8	I552 V554 Y559	I552-K557 WeakPolarHBondContact O-CA 3.3Å; I552-K557 PolarHBondContact O-N 2.93Å; V554-K557 WeakPolarHBondContact O-CE 3.14Å; K557-Y559 HydrophobicContact CB-CE2 4.45Å; K557-Y559 WeakPolarHBondContact O-CD2 3.33Å; K557-Y559 VanDerWaalsContact O-CE2 3.23Å; K557-Y559 WeakPolarHBondContact O-CE2 3.48Å; K557-Y559 PolarHBondContact O-N 3.07Å
558	D	68.3	Low	72	Confident	95 Å²	95	73.3 Å²	73.3	51%	0.508	40%	0.403	S	S	.	.			trans	-92.3	89.1	177.2	-167	35.6	0	0	0	111.4	I552 T556 P560 K562	I552-D558 VanDerWaalsContact CG2-O 3.3Å; I552-D558 WeakPolarHBondContact CG2-O 3.29Å; T556-D558 PolarHBondContact O-N 3.46Å; D558-P560 WeakPolarHBondContact O-CD 3.08Å; D558-K562 VanDerWaalsContact OD1-CE 3.26Å; D558-K562 WeakPolarHBondContact OD1-CE 3.49Å; D558-K562 IonicContact OD1-NZ 3.18Å; D558-K562 PolarHBondContact OD1-NZ 3.16Å
559	Y	72.7	Confident	72.1	Confident	65 Å²	65	67.7 Å²	67.7	26%	0.255	38%	0.384	S	S	.	.			trans	-75.3	124.1	-177.6	-57.6	-92.1	0	0	0	111.4	I552 K557 H561 K562 G569 H571	I552-Y559 HydrophobicContact CG2-CD1 4.46Å; K557-Y559 HydrophobicContact CB-CE2 4.45Å; K557-Y559 WeakPolarHBondContact O-CD2 3.33Å; K557-Y559 VanDerWaalsContact O-CE2 3.23Å; K557-Y559 WeakPolarHBondContact O-CE2 3.48Å; K557-Y559 PolarHBondContact O-N 3.07Å; Y559-H561 PolarHBondContact O-N 3.44Å; Y559-H561 VanDerWaalsContact O-N 3.08Å; Y559-K562 VanDerWaalsContact O-CE 3.24Å; Y559-K562 WeakPolarHBondContact O-CE 3.25Å; Y559-K562 WeakPolarHBondContact O-CG 3.49Å; Y559-G569 VanDerWaalsContact CG-CA 3.49Å; Y559-H571 AromaticContact CD1-CE1 3.59Å; Y559-H571 AromaticContact CD1-ND1 3.95Å; Y559-H571 AromaticContact CD1-NE2 3.78Å; Y559-H571 AromaticContact CE1-CE1 3.48Å; Y559-H571 VanDerWaalsContact CE1-CE1 3.48Å; Y559-H571 WeakPolarHBondContact CE1-CE1 3.26Å; Y559-H571 AromaticContact CE1-NE2 3.39Å; Y559-H571 WeakPolarHBondContact CE1-NE2 3.21Å
560	P	73.7	Confident	72.2	Confident	80 Å²	80	66 Å²	66	52%	0.519	38%	0.379	S	S	.	.	S	Bend	trans	-61.9	-20.3	-179.1	-26.6	35.8	0	0	0	115.2	D558	D558-P560 WeakPolarHBondContact O-CD 3.08Å
561	H	71.5	Confident	71.8	Confident	64 Å²	64	66.6 Å²	66.6	30%	0.296	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	83.1	-174.4	-58.5	-46.7	0	0	0	111.2	Y559 F570 P573 L576	Y559-H561 PolarHBondContact O-N 3.44Å; Y559-H561 VanDerWaalsContact O-N 3.08Å; H561-F570 PolarHBondContact N-O 3.13Å; H561-F570 PolarHBondContact O-N 2.89Å; H561-P573 VanDerWaalsContact CD2-CD 3.47Å; H561-P573 WeakPolarHBondContact CD2-CD 3.41Å; H561-P573 WeakPolarHBondContact NE2-CD 3.17Å; H561-P573 WeakPolarHBondContact NE2-CG 3.46Å; H561-L576 HydrophobicContact CB-CB 4.26Å; H561-L576 HydrophobicContact CB-CD2 3.86Å
562	K	76	Confident	71.8	Confident	121 Å²	121	70.8 Å²	70.8	53%	0.526	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	137.1	178.9	-61.6	168.7	-171	168.1	0	110.7	D558 Y559 K568	D558-K562 VanDerWaalsContact OD1-CE 3.26Å; D558-K562 WeakPolarHBondContact OD1-CE 3.49Å; D558-K562 IonicContact OD1-NZ 3.18Å; D558-K562 PolarHBondContact OD1-NZ 3.16Å; Y559-K562 VanDerWaalsContact O-CE 3.24Å; Y559-K562 WeakPolarHBondContact O-CE 3.25Å; Y559-K562 WeakPolarHBondContact O-CG 3.49Å; K562-K568 CarbonylContact C-O 3.23Å; K562-K568 WeakPolarHBondContact CA-O 3.46Å
563	C	77.8	Confident	71.9	Confident	7 Å²	7	72.9 Å²	72.9	5%	0.047	41%	0.41	C	S	.	.			trans	-83.7	115.7	179.7	-170.6	0	0	0	0	111.3	V565 C566 G567 K568 F570 L576	C563-V565 PolarHBondContact O-N 2.86Å; C563-C566 PolarHBondContact O-N 3.09Å; C563-C566 VanDerWaalsContact O-N 3.17Å; C563-G567 WeakPolarHBondContact O-CA 3.45Å; C563-G567 PolarHBondContact O-N 2.72Å; C563-K568 WeakPolarHBondContact CB-O 3.4Å; C563-K568 PolarHBondContact N-O 2.89Å; C563-F570 HydrophobicContact CB-CE2 4.29Å; C563-L576 HydrophobicContact CB-CD1 3.53Å
564	A	70.2	Confident	72	Confident	111 Å²	111	74 Å²	74	92%	0.917	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-21.6	-178.8	0	0	0	0	0	115
565	V	66.1	Low	72.4	Confident	103 Å²	103	74 Å²	74	62%	0.624	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-19	-177	-175.5	0	0	0	0	112.9	C563	C563-V565 PolarHBondContact O-N 2.86Å
566	C	70.6	Confident	72.7	Confident	49 Å²	49	72.3 Å²	72.3	33%	0.331	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.8	5.2	-172.5	70.1	0	0	0	0	115.9	C563 K568 H579 H583	C563-C566 PolarHBondContact O-N 3.09Å; C563-C566 VanDerWaalsContact O-N 3.17Å; C566-K568 PolarHBondContact O-N 2.85Å; C566-H579 PolarHBondContact SG-NE2 3.04Å; C566-H583 WeakPolarHBondContact CB-NE2 3.4Å
567	G	69	Low	73	Confident	57 Å²	57	75.7 Å²	75.7	59%	0.588	42%	0.415	S	S	*	.			trans	71.1	-10.1	-178.8	0	0	0	0	0	115.8	C563 G569	C563-G567 WeakPolarHBondContact O-CA 3.45Å; C563-G567 PolarHBondContact O-N 2.72Å; G567-G569 PolarHBondContact O-N 2.95Å
568	K	72.9	Confident	73.3	Confident	62 Å²	62	77 Å²	77	27%	0.27	42%	0.421	S	S	.	.			trans	-61.8	126.8	-176.1	-71.3	-168	174.3	-145.1	0	112	K562 C563 C566 F570 D600	K562-K568 CarbonylContact C-O 3.23Å; K562-K568 WeakPolarHBondContact CA-O 3.46Å; C563-K568 WeakPolarHBondContact CB-O 3.4Å; C563-K568 PolarHBondContact N-O 2.89Å; C566-K568 PolarHBondContact O-N 2.85Å; K568-F570 HydrophobicContact CB-CE2 3.67Å; K568-F570 HydrophobicContact CB-CZ 3.93Å; K568-F570 WeakPolarHBondContact O-CD2 3.48Å; K568-F570 VanDerWaalsContact O-CE2 3.28Å; K568-F570 WeakPolarHBondContact O-CE2 3.49Å; K568-D600 IonicContact NZ-OD2 2.59Å; K568-D600 PolarHBondContact NZ-OD2 3.01Å
569	G	76.2	Confident	73.7	Confident	20 Å²	20	73.5 Å²	73.5	21%	0.206	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	143.9	175.1	0	0	0	0	0	113.5	Y559 G567	Y559-G569 VanDerWaalsContact CG-CA 3.49Å; G567-G569 PolarHBondContact O-N 2.95Å
570	F	76.9	Confident	73.6	Confident	40 Å²	40	72.6 Å²	72.6	18%	0.175	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	154	175.7	-61.2	-86.8	0	0	0	111	H561 C563 K568 E575 L576 H579	H561-F570 PolarHBondContact N-O 3.13Å; H561-F570 PolarHBondContact O-N 2.89Å; C563-F570 HydrophobicContact CB-CE2 4.29Å; K568-F570 HydrophobicContact CB-CE2 3.67Å; K568-F570 HydrophobicContact CB-CZ 3.93Å; K568-F570 WeakPolarHBondContact O-CD2 3.48Å; K568-F570 VanDerWaalsContact O-CE2 3.28Å; K568-F570 WeakPolarHBondContact O-CE2 3.49Å; F570-E575 HydrophobicContact CB-CB 4.1Å; F570-E575 HydrophobicContact CD1-CB 3.93Å; F570-E575 HydrophobicContact CG-CB 4.32Å; F570-L576 HydrophobicContact CB-CB 4.2Å; F570-L576 HydrophobicContact CD2-CB 4.12Å; F570-L576 HydrophobicContact CD2-CD1 3.88Å; F570-L576 HydrophobicContact CE2-CD1 4.23Å; F570-L576 HydrophobicContact CG-CB 4.3Å; F570-H579 HydrophobicContact CE1-CB 4.03Å; F570-H579 HydrophobicContact CE2-CB 3.96Å; F570-H579 AromaticContact CE2-CD2 3.21Å; F570-H579 WeakPolarHBondContact CE2-CD2 3.47Å; F570-H579 AromaticContact CE2-CG 3.71Å; F570-H579 AromaticContact CE2-NE2 3.96Å; F570-H579 HydrophobicContact CZ-CB 3.58Å; F570-H579 AromaticContact CZ-CD2 3.24Å; F570-H579 WeakPolarHBondContact CZ-CD2 3.44Å; F570-H579 AromaticContact CZ-CG 3.3Å; F570-H579 AromaticContact CZ-ND1 3.96Å; F570-H579 AromaticContact CZ-NE2 3.83Å
571	H	69.2	Low	73.5	Confident	45 Å²	45	72.4 Å²	72.4	21%	0.208	40%	0.402	C	S	.	.	S	Bend	trans	-86.6	-25.3	-179.5	-58.2	-78.3	0	0	0	112.8	R549 Y559 E575	R549-H571 HydrophobicContact CG-CB 4.1Å; Y559-H571 AromaticContact CD1-CE1 3.59Å; Y559-H571 AromaticContact CD1-ND1 3.95Å; Y559-H571 AromaticContact CD1-NE2 3.78Å; Y559-H571 AromaticContact CE1-CE1 3.48Å; Y559-H571 VanDerWaalsContact CE1-CE1 3.48Å; Y559-H571 WeakPolarHBondContact CE1-CE1 3.26Å; Y559-H571 AromaticContact CE1-NE2 3.39Å; Y559-H571 WeakPolarHBondContact CE1-NE2 3.21Å; H571-E575 PolarHBondContact N-OE2 2.84Å
572	R	76.3	Confident	73.2	Confident	131 Å²	131	71.5 Å²	71.5	49%	0.494	40%	0.403	S	S	.	.	S	Bend	trans	-125.3	142.1	-178.1	-49.6	-177.8	92.4	155.3	6.5	111.7	S574 E575 L576	R572-S574 PolarHBondContact O-N 2.71Å; R572-S574 VanDerWaalsContact O-N 3.13Å; R572-E575 HydrophobicContact CB-CB 4.48Å; R572-E575 HydrophobicContact CB-CG 4.1Å; R572-E575 WeakPolarHBondContact CD-OE1 3.44Å; R572-E575 VanDerWaalsContact CG-OE1 3.24Å; R572-E575 WeakPolarHBondContact CG-OE1 3.38Å; R572-E575 PolarHBondContact N-OE2 3.19Å; R572-E575 WeakPolarHBondContact O-CB 3.38Å; R572-E575 PolarHBondContact O-N 3.41Å; R572-L576 PolarHBondContact O-N 2.62Å; R572-L576 VanDerWaalsContact O-N 3.13Å
573	P	74.3	Confident	72.6	Confident	84 Å²	84	68.2 Å²	68.2	55%	0.545	39%	0.389	S	S	.	.	H	α-helix	trans	-57	-29.1	173.2	-24.8	33.6	0	0	0	113.3	H561 K577	H561-P573 VanDerWaalsContact CD2-CD 3.47Å; H561-P573 WeakPolarHBondContact CD2-CD 3.41Å; H561-P573 WeakPolarHBondContact NE2-CD 3.17Å; H561-P573 WeakPolarHBondContact NE2-CG 3.46Å; P573-K577 VanDerWaalsContact O-CB 3.23Å; P573-K577 WeakPolarHBondContact O-CB 3.47Å; P573-K577 PolarHBondContact O-N 2.83Å
574	S	76.4	Confident	71.8	Confident	67 Å²	67	78.6 Å²	78.6	47%	0.469	43%	0.428	S	S	.	.	H	α-helix	trans	-71.7	-29	176.6	53.1	0	0	0	0	113.6	R572 K578	R572-S574 PolarHBondContact O-N 2.71Å; R572-S574 VanDerWaalsContact O-N 3.13Å; S574-K578 WeakPolarHBondContact O-CG 3.39Å; S574-K578 PolarHBondContact O-N 2.72Å; S574-K578 VanDerWaalsContact O-N 3.13Å
575	E	74.4	Confident	71.1	Confident	62 Å²	62	77.4 Å²	77.4	29%	0.29	41%	0.409	S	S	.	.	H	α-helix	trans	-74.8	-48.1	172.8	-68.3	152.8	-166.8	0	0	109.9	F570 H571 R572 K577 K578 H579	F570-E575 HydrophobicContact CB-CB 4.1Å; F570-E575 HydrophobicContact CD1-CB 3.93Å; F570-E575 HydrophobicContact CG-CB 4.32Å; H571-E575 PolarHBondContact N-OE2 2.84Å; R572-E575 HydrophobicContact CB-CB 4.48Å; R572-E575 HydrophobicContact CB-CG 4.1Å; R572-E575 WeakPolarHBondContact CD-OE1 3.44Å; R572-E575 VanDerWaalsContact CG-OE1 3.24Å; R572-E575 WeakPolarHBondContact CG-OE1 3.38Å; R572-E575 PolarHBondContact N-OE2 3.19Å; R572-E575 WeakPolarHBondContact O-CB 3.38Å; R572-E575 PolarHBondContact O-N 3.41Å; E575-K577 VanDerWaalsContact C-N 3.27Å; E575-K577 PolarHBondContact O-N 2.98Å; E575-K578 PolarHBondContact O-N 2.87Å; E575-K578 VanDerWaalsContact O-N 3.17Å; E575-H579 PolarHBondContact O-N 3.3Å
576	L	78.4	Confident	70.7	Confident	38 Å²	38	80.8 Å²	80.8	20%	0.199	42%	0.415	C	S	.	.	H	α-helix	trans	-56.7	-40.6	172.1	176	59.7	0	0	0	111.4	H561 C563 F570 R572 H579 S580	H561-L576 HydrophobicContact CB-CB 4.26Å; H561-L576 HydrophobicContact CB-CD2 3.86Å; C563-L576 HydrophobicContact CB-CD1 3.53Å; F570-L576 HydrophobicContact CB-CB 4.2Å; F570-L576 HydrophobicContact CD2-CB 4.12Å; F570-L576 HydrophobicContact CD2-CD1 3.88Å; F570-L576 HydrophobicContact CE2-CD1 4.23Å; F570-L576 HydrophobicContact CG-CB 4.3Å; R572-L576 PolarHBondContact O-N 2.62Å; R572-L576 VanDerWaalsContact O-N 3.13Å; L576-H579 CarbonylContact O-C 3.42Å; L576-H579 PolarHBondContact O-N 2.86Å; L576-S580 PolarHBondContact O-N 2.97Å; L576-S580 PolarHBondContact O-OG 3.26Å
577	K	74	Confident	69.8	Low	153 Å²	153	87.4 Å²	87.4	67%	0.665	44%	0.439	S	S	*	.	H	α-helix	trans	-66.7	-38.6	177.7	-169.9	170.7	-176.1	175.2	0	112.8	P573 E575 H579 S580 V581	P573-K577 VanDerWaalsContact O-CB 3.23Å; P573-K577 WeakPolarHBondContact O-CB 3.47Å; P573-K577 PolarHBondContact O-N 2.83Å; E575-K577 VanDerWaalsContact C-N 3.27Å; E575-K577 PolarHBondContact O-N 2.98Å; K577-H579 VanDerWaalsContact C-N 3.31Å; K577-S580 WeakPolarHBondContact CA-OG 3.32Å; K577-S580 PolarHBondContact O-OG 3.27Å; K577-V581 WeakPolarHBondContact O-CG2 3.37Å; K577-V581 PolarHBondContact O-N 2.9Å
578	K	74.6	Confident	69.4	Low	164 Å²	164	89.4 Å²	89.4	71%	0.713	44%	0.435	S	S	*	.	H	α-helix	trans	-63.3	-39.6	171	-74.4	171.7	-179	-178.4	0	111	S574 E575 V581 S582	S574-K578 WeakPolarHBondContact O-CG 3.39Å; S574-K578 PolarHBondContact O-N 2.72Å; S574-K578 VanDerWaalsContact O-N 3.13Å; E575-K578 PolarHBondContact O-N 2.87Å; E575-K578 VanDerWaalsContact O-N 3.17Å; K578-V581 PolarHBondContact O-N 2.72Å; K578-S582 PolarHBondContact O-N 2.93Å
579	H	76.6	Confident	68.8	Low	20 Å²	20	90.2 Å²	90.2	9%	0.093	44%	0.44	C	S	.	.	H	α-helix	trans	-71.7	-38.7	178.3	-176.5	54.9	0	0	0	113.5	C566 F570 E575 L576 K577 V581 S582 H583	C566-H579 PolarHBondContact SG-NE2 3.04Å; F570-H579 HydrophobicContact CE1-CB 4.03Å; F570-H579 HydrophobicContact CE2-CB 3.96Å; F570-H579 AromaticContact CE2-CD2 3.21Å; F570-H579 WeakPolarHBondContact CE2-CD2 3.47Å; F570-H579 AromaticContact CE2-CG 3.71Å; F570-H579 AromaticContact CE2-NE2 3.96Å; F570-H579 HydrophobicContact CZ-CB 3.58Å; F570-H579 AromaticContact CZ-CD2 3.24Å; F570-H579 WeakPolarHBondContact CZ-CD2 3.44Å; F570-H579 AromaticContact CZ-CG 3.3Å; F570-H579 AromaticContact CZ-ND1 3.96Å; F570-H579 AromaticContact CZ-NE2 3.83Å; E575-H579 PolarHBondContact O-N 3.3Å; L576-H579 CarbonylContact O-C 3.42Å; L576-H579 PolarHBondContact O-N 2.86Å; K577-H579 VanDerWaalsContact C-N 3.31Å; H579-V581 PolarHBondContact O-N 2.89Å; H579-S582 PolarHBondContact ND1-OG 2.97Å; H579-S582 VanDerWaalsContact ND1-OG 3.17Å; H579-S582 WeakPolarHBondContact O-CA 3.2Å; H579-S582 WeakPolarHBondContact O-CB 3.29Å; H579-S582 PolarHBondContact O-N 3.4Å; H579-S582 PolarHBondContact O-OG 2.91Å; H579-H583 AromaticContact NE2-CD2 3.93Å; H579-H583 PolarHBondContact O-N 3.49Å
580	S	70.4	Confident	68.2	Low	46 Å²	46	93.5 Å²	93.5	32%	0.322	45%	0.45	S	S	.	.	H	α-helix	trans	-63.8	-26.7	173.6	64.7	0	0	0	0	112.1	L576 K577 H583 R584	L576-S580 PolarHBondContact O-N 2.97Å; L576-S580 PolarHBondContact O-OG 3.26Å; K577-S580 WeakPolarHBondContact CA-OG 3.32Å; K577-S580 PolarHBondContact O-OG 3.27Å; S580-H583 PolarHBondContact O-N 3.31Å; S580-R584 PolarHBondContact O-N 3.11Å
581	V	72.6	Confident	67.5	Low	77 Å²	77	91.8 Å²	91.8	47%	0.467	44%	0.442	S	S	.	.	H	α-helix	trans	-70.6	-33.6	169.1	172.9	0	0	0	0	111.9	K577 K578 H579 H583 R584 T585	K577-V581 WeakPolarHBondContact O-CG2 3.37Å; K577-V581 PolarHBondContact O-N 2.9Å; K578-V581 PolarHBondContact O-N 2.72Å; H579-V581 PolarHBondContact O-N 2.89Å; V581-H583 VanDerWaalsContact C-N 3.32Å; V581-H583 PolarHBondContact O-N 3.38Å; V581-R584 PolarHBondContact O-N 2.81Å; V581-R584 VanDerWaalsContact O-N 3.11Å; V581-T585 HydrophobicContact CG1-CG2 4Å; V581-T585 WeakPolarHBondContact O-CB 3.49Å; V581-T585 WeakPolarHBondContact O-CG2 3.34Å; V581-T585 PolarHBondContact O-N 3.49Å; V581-T585 PolarHBondContact O-OG1 3.41Å
582	S	64.2	Low	67.3	Low	45 Å²	45	101.2 Å²	101.2	32%	0.315	48%	0.476	S	S	.	.	H	α-helix	trans	-62.9	-36.3	171.7	67.5	0	0	0	0	112.9	K578 H579 R584 T585	K578-S582 PolarHBondContact O-N 2.93Å; H579-S582 PolarHBondContact ND1-OG 2.97Å; H579-S582 VanDerWaalsContact ND1-OG 3.17Å; H579-S582 WeakPolarHBondContact O-CA 3.2Å; H579-S582 WeakPolarHBondContact O-CB 3.29Å; H579-S582 PolarHBondContact O-N 3.4Å; H579-S582 PolarHBondContact O-OG 2.91Å; S582-R584 VanDerWaalsContact C-N 3.29Å; S582-R584 PolarHBondContact O-N 3.49Å; S582-T585 WeakPolarHBondContact CA-OG1 3.5Å; S582-T585 PolarHBondContact O-N 3.18Å; S582-T585 PolarHBondContact O-OG1 2.75Å
583	H	64.4	Low	66.7	Low	51 Å²	51	101 Å²	101	24%	0.236	48%	0.481	C	S	.	.	H	α-helix	trans	-63.8	-32.1	171.8	-74.1	-60.8	0	0	0	113.5	C566 H579 S580 V581 A599	C566-H583 WeakPolarHBondContact CB-NE2 3.4Å; H579-H583 AromaticContact NE2-CD2 3.93Å; H579-H583 PolarHBondContact O-N 3.49Å; S580-H583 PolarHBondContact O-N 3.31Å; V581-H583 VanDerWaalsContact C-N 3.32Å; V581-H583 PolarHBondContact O-N 3.38Å; H583-A599 VanDerWaalsContact NE2-CB 3.27Å; H583-A599 WeakPolarHBondContact NE2-CB 3.04Å
584	R	60.5	Low	66.6	Low	226 Å²	226	99.1 Å²	99.1	85%	0.853	47%	0.469	S	S	*	.	H	α-helix	trans	-82.4	-10.7	178.5	-71.5	-176.5	174.6	-170.7	-2.9	114.4	S580 V581 S582	S580-R584 PolarHBondContact O-N 3.11Å; V581-R584 PolarHBondContact O-N 2.81Å; V581-R584 VanDerWaalsContact O-N 3.11Å; S582-R584 VanDerWaalsContact C-N 3.29Å; S582-R584 PolarHBondContact O-N 3.49Å
585	T	55.2	Low	66	Low	86 Å²	86	102.7 Å²	102.7	53%	0.528	48%	0.483	S	S	.	.	H	α-helix	trans	-115.9	-10.6	-164.6	48	0	0	0	0	117	V581 S582	V581-T585 HydrophobicContact CG1-CG2 4Å; V581-T585 WeakPolarHBondContact O-CB 3.49Å; V581-T585 WeakPolarHBondContact O-CG2 3.34Å; V581-T585 PolarHBondContact O-N 3.49Å; V581-T585 PolarHBondContact O-OG1 3.41Å; S582-T585 WeakPolarHBondContact CA-OG1 3.5Å; S582-T585 PolarHBondContact O-N 3.18Å; S582-T585 PolarHBondContact O-OG1 2.75Å
586	K	56.8	Low	65.3	Low	173 Å²	173	103.8 Å²	103.8	75%	0.752	49%	0.487	S	S	*	.	S	Bend	trans	-155.8	156.8	168.4	-107.3	117.6	-160.4	175.9	0	115.5
587	K	53.3	Low	64.6	Low	189 Å²	189	107.7 Å²	107.7	82%	0.822	50%	0.502	S	S	*	.			trans	-52	143.8	170.4	-65.9	175.7	176.6	177.5	0	110.6	H589	K587-H589 PolarHBondContact O-N 2.78Å
588	L	60.1	Low	64.5	Low	99 Å²	99	102 Å²	102	52%	0.518	48%	0.479	S	S	.	.			trans	-52.1	128.8	170.8	-65	170.3	0	0	0	110.2	Q590 K597 A599	L588-Q590 PolarHBondContact O-N 2.11Å; L588-K597 HydrophobicContact CB-CB 4.2Å; L588-K597 HydrophobicContact CD1-CB 4.25Å; L588-A599 HydrophobicContact CD2-CB 4.01Å
589	H	59.9	Low	63.9	Low	78 Å²	78	95.3 Å²	95.3	36%	0.361	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	115.2	175.3	-63.7	-84.1	0	0	0	108.6	K587 I598 L604	K587-H589 PolarHBondContact O-N 2.78Å; H589-I598 PolarHBondContact N-O 3.09Å; H589-I598 PolarHBondContact O-N 3.13Å; H589-L604 HydrophobicContact CB-CD2 3.55Å
590	Q	63.1	Low	63.2	Low	89 Å²	89	96 Å²	96	42%	0.416	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	139.9	177.9	-172.1	171.5	-17.7	0	0	110.7	L588 F596 K597	L588-Q590 PolarHBondContact O-N 2.11Å; Q590-F596 CarbonylContact C-O 3.58Å; Q590-F596 WeakPolarHBondContact CA-O 3.49Å; Q590-K597 HydrophobicContact CB-CG 3.9Å; Q590-K597 VanDerWaalsContact CD-CE 3.42Å; Q590-K597 HydrophobicContact CG-CG 3.77Å
591	C	63.1	Low	63.1	Low	4 Å²	4	97 Å²	97	3%	0.027	46%	0.464	C	S	.	.			trans	-63.6	134.6	168.2	-172.3	0	0	0	0	110.1	H593 F596 L604 H612	C591-H593 PolarHBondContact O-N 2.36Å; C591-H593 PolarHBondContact SG-N 2.57Å; C591-H593 VanDerWaalsContact SG-N 3.4Å; C591-F596 HydrophobicContact CB-CB 4.34Å; C591-F596 PolarHBondContact N-O 3.16Å; C591-L604 HydrophobicContact CB-CD1 3.85Å; C591-H612 VanDerWaalsContact SG-CD2 3.56Å; C591-H612 PolarHBondContact SG-NE2 2.99Å
592	R	64.9	Low	62.9	Low	243 Å²	243	101.5 Å²	101.5	92%	0.917	48%	0.477	S	S	*	.	S	Bend	trans	-71.7	-12.9	173.8	-85.6	-177.3	165.9	170.7	-5.3	113.7
593	H	64.7	Low	63.2	Low	128 Å²	128	102.1 Å²	102.1	59%	0.593	48%	0.476	S	S	*	.	S	Bend	trans	-113.8	-4.2	-172.8	-55.6	-78.3	0	0	0	113.9	C591 H612	C591-H593 PolarHBondContact O-N 2.36Å; C591-H593 PolarHBondContact SG-N 2.57Å; C591-H593 VanDerWaalsContact SG-N 3.4Å; H593-H612 HydrophobicContact CB-CB 4.43Å; H593-H612 VanDerWaalsContact CB-CE1 3.46Å; H593-H612 WeakPolarHBondContact CB-CE1 3.37Å; H593-H612 WeakPolarHBondContact CB-ND1 3.3Å; H593-H612 PolarHBondContact O-CE1 3.43Å
594	C	71.9	Confident	63.5	Low	44 Å²	44	100.6 Å²	100.6	30%	0.297	47%	0.47	S	S	.	.	S	Bend	trans	-161.6	174.5	169.1	70.5	0	0	0	0	111.7	F596 H607 H612	C594-F596 PolarHBondContact O-N 2.8Å; C594-F596 VanDerWaalsContact O-N 3.09Å; C594-F596 VanDerWaalsContact SG-CB 3.58Å; C594-H607 VanDerWaalsContact SG-CE1 3.51Å; C594-H607 PolarHBondContact SG-NE2 2.33Å; C594-H612 PolarHBondContact SG-NE2 3.22Å; C594-H612 VanDerWaalsContact SG-NE2 3.45Å
595	N	62.3	Low	63.8	Low	141 Å²	141	92.9 Å²	92.9	75%	0.754	45%	0.451	S	S	*	.	S	Bend	trans	-75.4	9.4	-177.5	-71	-33.5	0	0	0	115.3	K597	N595-K597 PolarHBondContact O-N 3.44Å
596	F	61.4	Low	64.6	Low	85 Å²	85	97.4 Å²	97.4	37%	0.373	46%	0.458	S	S	.	.			trans	-66.8	126.3	178.3	-168.5	-106.3	0	0	0	111.4	Q590 C591 C594 I598 L604 H607	Q590-F596 CarbonylContact C-O 3.58Å; Q590-F596 WeakPolarHBondContact CA-O 3.49Å; C591-F596 HydrophobicContact CB-CB 4.34Å; C591-F596 PolarHBondContact N-O 3.16Å; C594-F596 PolarHBondContact O-N 2.8Å; C594-F596 VanDerWaalsContact O-N 3.09Å; C594-F596 VanDerWaalsContact SG-CB 3.58Å; F596-I598 HydrophobicContact CD1-CG2 4.43Å; F596-I598 HydrophobicContact CE1-CB 3.98Å; F596-I598 HydrophobicContact CE1-CD1 4.09Å; F596-I598 HydrophobicContact CE1-CG2 3.95Å; F596-I598 HydrophobicContact CZ-CB 4.46Å; F596-I598 HydrophobicContact CZ-CD1 4.02Å; F596-L604 HydrophobicContact CD1-CD1 4.35Å; F596-H607 HydrophobicContact CD1-CB 4.24Å; F596-H607 AromaticContact CD1-CD2 3.75Å; F596-H607 AromaticContact CD1-CE1 3.9Å; F596-H607 AromaticContact CD1-CG 3.64Å; F596-H607 AromaticContact CD1-ND1 3.73Å; F596-H607 AromaticContact CD1-NE2 3.91Å; F596-H607 HydrophobicContact CE1-CB 4.14Å; F596-H607 AromaticContact CE1-CG 3.99Å; F596-H607 AromaticContact CG-CE1 3.76Å; F596-H607 AromaticContact CG-ND1 3.93Å; F596-H607 AromaticContact CG-NE2 3.98Å
597	K	63.8	Low	65.3	Low	121 Å²	121	90.5 Å²	90.5	53%	0.526	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	126.6	-177.4	-72.2	172.8	178.1	173.2	0	109.4	L588 Q590 N595	L588-K597 HydrophobicContact CB-CB 4.2Å; L588-K597 HydrophobicContact CD1-CB 4.25Å; Q590-K597 HydrophobicContact CB-CG 3.9Å; Q590-K597 VanDerWaalsContact CD-CE 3.42Å; Q590-K597 HydrophobicContact CG-CG 3.77Å; N595-K597 PolarHBondContact O-N 3.44Å
598	I	71.3	Confident	66.2	Low	34 Å²	34	84 Å²	84	17%	0.174	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	147.9	-178.4	-166.7	154.1	0	0	0	112.6	H589 F596 D600 I603 L604	H589-I598 PolarHBondContact N-O 3.09Å; H589-I598 PolarHBondContact O-N 3.13Å; F596-I598 HydrophobicContact CD1-CG2 4.43Å; F596-I598 HydrophobicContact CE1-CB 3.98Å; F596-I598 HydrophobicContact CE1-CD1 4.09Å; F596-I598 HydrophobicContact CE1-CG2 3.95Å; F596-I598 HydrophobicContact CZ-CB 4.46Å; F596-I598 HydrophobicContact CZ-CD1 4.02Å; I598-D600 VanDerWaalsContact C-N 3.26Å; I598-D600 PolarHBondContact O-N 3.45Å; I598-I603 HydrophobicContact CD1-CB 3.83Å; I598-I603 HydrophobicContact CD1-CG2 3.54Å; I598-L604 HydrophobicContact CG2-CB 3.75Å; I598-L604 HydrophobicContact CG2-CD1 4.38Å
599	A	61.1	Low	66.6	Low	23 Å²	23	85.1 Å²	85.1	19%	0.19	41%	0.408	C	S	.	.	S	Bend	trans	-77.8	-5.3	-179.1	0	0	0	0	0	114.2	H583 L588	H583-A599 VanDerWaalsContact NE2-CB 3.27Å; H583-A599 WeakPolarHBondContact NE2-CB 3.04Å; L588-A599 HydrophobicContact CD2-CB 4.01Å
600	D	62.5	Low	66.9	Low	35 Å²	35	85.1 Å²	85.1	19%	0.187	42%	0.417	C	S	.	.			trans	-120.1	112.5	-172.6	-171.2	-34.2	0	0	0	111.4	K568 I598 F602 I603 L604	K568-D600 IonicContact NZ-OD2 2.59Å; K568-D600 PolarHBondContact NZ-OD2 3.01Å; I598-D600 VanDerWaalsContact C-N 3.26Å; I598-D600 PolarHBondContact O-N 3.45Å; D600-F602 VanDerWaalsContact C-N 3.28Å; D600-F602 PolarHBondContact O-N 3.21Å; D600-F602 WeakPolarHBondContact OD1-CB 3.46Å; D600-F602 PolarHBondContact OD1-N 3.44Å; D600-I603 HydrophobicContact CB-CB 4.34Å; D600-I603 HydrophobicContact CB-CG1 3.95Å; D600-I603 PolarHBondContact O-N 3.33Å; D600-L604 PolarHBondContact O-N 2.96Å; D600-L604 VanDerWaalsContact O-N 3.11Å
601	P	68.1	Low	66.9	Low	66 Å²	66	85 Å²	85	43%	0.429	42%	0.422	S	S	.	.	H	α-helix	trans	-57	-33.7	178.8	-27	35.2	0	0	0	114.7	L604 S605	P601-L604 PolarHBondContact O-N 3.13Å; P601-S605 PolarHBondContact O-N 3.1Å; P601-S605 PolarHBondContact O-OG 2.9Å; P601-S605 VanDerWaalsContact O-OG 3.13Å
602	F	69.3	Low	67	Low	171 Å²	171	88 Å²	88	75%	0.75	44%	0.436	S	S	*	.	H	α-helix	trans	-71.6	-35.4	-178.1	-71.3	-86	0	0	0	111.8	D600 R606	D600-F602 VanDerWaalsContact C-N 3.28Å; D600-F602 PolarHBondContact O-N 3.21Å; D600-F602 WeakPolarHBondContact OD1-CB 3.46Å; D600-F602 PolarHBondContact OD1-N 3.44Å; F602-R606 PolarHBondContact O-N 3.39Å; F602-R606 VanDerWaalsContact O-N 3.08Å
603	I	69.2	Low	67	Low	59 Å²	59	80.5 Å²	80.5	30%	0.303	42%	0.416	S	S	.	.	H	α-helix	trans	-73.4	-35.6	175.1	-49.7	-57.6	0	0	0	110.6	I598 D600 R606 H607	I598-I603 HydrophobicContact CD1-CB 3.83Å; I598-I603 HydrophobicContact CD1-CG2 3.54Å; D600-I603 HydrophobicContact CB-CB 4.34Å; D600-I603 HydrophobicContact CB-CG1 3.95Å; D600-I603 PolarHBondContact O-N 3.33Å; I603-R606 PolarHBondContact O-N 3.38Å; I603-H607 WeakPolarHBondContact O-CB 3.22Å; I603-H607 PolarHBondContact O-N 3.46Å
604	L	70.4	Confident	66.2	Low	19 Å²	19	82.6 Å²	82.6	10%	0.099	42%	0.424	C	S	.	.	H	α-helix	trans	-62.8	-45.6	173	-176.2	60.8	0	0	0	111.9	H589 C591 F596 I598 D600 P601 R606 H607 I608	H589-L604 HydrophobicContact CB-CD2 3.55Å; C591-L604 HydrophobicContact CB-CD1 3.85Å; F596-L604 HydrophobicContact CD1-CD1 4.35Å; I598-L604 HydrophobicContact CG2-CB 3.75Å; I598-L604 HydrophobicContact CG2-CD1 4.38Å; D600-L604 PolarHBondContact O-N 2.96Å; D600-L604 VanDerWaalsContact O-N 3.11Å; P601-L604 PolarHBondContact O-N 3.13Å; L604-R606 VanDerWaalsContact C-N 3.34Å; L604-R606 PolarHBondContact O-N 3.08Å; L604-H607 WeakPolarHBondContact O-CB 3.46Å; L604-H607 PolarHBondContact O-N 3.33Å; L604-I608 HydrophobicContact CD1-CD1 4.31Å; L604-I608 HydrophobicContact CD1-CG1 4.43Å; L604-I608 HydrophobicContact CG-CD1 4.01Å; L604-I608 WeakPolarHBondContact O-CG1 3.46Å; L604-I608 PolarHBondContact O-N 3.21Å
605	S	68.1	Low	64.7	Low	64 Å²	64	87.7 Å²	87.7	45%	0.448	44%	0.443	S	S	.	.	H	α-helix	trans	-60.4	-42	176.2	-64.6	0	0	0	0	112	P601 I608 L609	P601-S605 PolarHBondContact O-N 3.1Å; P601-S605 PolarHBondContact O-OG 2.9Å; P601-S605 VanDerWaalsContact O-OG 3.13Å; S605-I608 PolarHBondContact O-N 3.19Å; S605-L609 WeakPolarHBondContact O-CB 3.34Å; S605-L609 VanDerWaalsContact O-CG 3.3Å; S605-L609 WeakPolarHBondContact O-CG 3.39Å; S605-L609 PolarHBondContact O-N 2.87Å
606	R	71.5	Confident	63.3	Low	181 Å²	181	90.4 Å²	90.4	68%	0.683	45%	0.451	S	S	*	.	H	α-helix	trans	-64.3	-40.1	174	-177.2	178	-70.3	-177.9	-2.5	112.3	F602 I603 L604 L609 S610	F602-R606 PolarHBondContact O-N 3.39Å; F602-R606 VanDerWaalsContact O-N 3.08Å; I603-R606 PolarHBondContact O-N 3.38Å; L604-R606 VanDerWaalsContact C-N 3.34Å; L604-R606 PolarHBondContact O-N 3.08Å; R606-L609 CarbonylContact O-C 3.31Å; R606-L609 PolarHBondContact O-N 3.18Å; R606-S610 WeakPolarHBondContact O-CB 3.49Å; R606-S610 PolarHBondContact O-N 3.41Å
607	H	71.8	Confident	62.1	Low	28 Å²	28	95.4 Å²	95.4	13%	0.13	48%	0.476	C	S	.	.	H	α-helix	trans	-61.7	-46.8	175.6	160.8	84.9	0	0	0	111.3	C594 F596 I603 L604 L609 S610 V611 H612	C594-H607 VanDerWaalsContact SG-CE1 3.51Å; C594-H607 PolarHBondContact SG-NE2 2.33Å; F596-H607 HydrophobicContact CD1-CB 4.24Å; F596-H607 AromaticContact CD1-CD2 3.75Å; F596-H607 AromaticContact CD1-CE1 3.9Å; F596-H607 AromaticContact CD1-CG 3.64Å; F596-H607 AromaticContact CD1-ND1 3.73Å; F596-H607 AromaticContact CD1-NE2 3.91Å; F596-H607 HydrophobicContact CE1-CB 4.14Å; F596-H607 AromaticContact CE1-CG 3.99Å; F596-H607 AromaticContact CG-CE1 3.76Å; F596-H607 AromaticContact CG-ND1 3.93Å; F596-H607 AromaticContact CG-NE2 3.98Å; I603-H607 WeakPolarHBondContact O-CB 3.22Å; I603-H607 PolarHBondContact O-N 3.46Å; L604-H607 WeakPolarHBondContact O-CB 3.46Å; L604-H607 PolarHBondContact O-N 3.33Å; H607-L609 PolarHBondContact O-N 2.88Å; H607-S610 PolarHBondContact O-N 3.19Å; H607-V611 WeakPolarHBondContact O-CB 3.47Å; H607-V611 WeakPolarHBondContact O-CG2 3.35Å; H607-V611 PolarHBondContact O-N 3.46Å; H607-H612 AromaticContact NE2-NE2 3.68Å
608	I	71.5	Confident	60.3	Low	53 Å²	53	94.6 Å²	94.6	27%	0.272	49%	0.492	S	S	.	.	I	π-helix	trans	-58.7	-49.2	175.7	-66.8	165.6	0	0	0	110.3	L604 S605 S610 H612 T613	L604-I608 HydrophobicContact CD1-CD1 4.31Å; L604-I608 HydrophobicContact CD1-CG1 4.43Å; L604-I608 HydrophobicContact CG-CD1 4.01Å; L604-I608 WeakPolarHBondContact O-CG1 3.46Å; L604-I608 PolarHBondContact O-N 3.21Å; S605-I608 PolarHBondContact O-N 3.19Å; I608-S610 PolarHBondContact O-N 3.41Å; I608-S610 VanDerWaalsContact O-N 3.17Å; I608-H612 WeakPolarHBondContact O-CB 3.16Å; I608-H612 PolarHBondContact O-N 3.4Å; I608-T613 PolarHBondContact O-N 3.44Å
609	L	68.6	Low	58.1	Low	122 Å²	122	98.5 Å²	98.5	64%	0.639	52%	0.522	S	S	*	.	I	π-helix	trans	-70.5	-3.9	-179.9	-69.7	168.5	0	0	0	115.3	S605 R606 H607 T613	S605-L609 WeakPolarHBondContact O-CB 3.34Å; S605-L609 VanDerWaalsContact O-CG 3.3Å; S605-L609 WeakPolarHBondContact O-CG 3.39Å; S605-L609 PolarHBondContact O-N 2.87Å; R606-L609 CarbonylContact O-C 3.31Å; R606-L609 PolarHBondContact O-N 3.18Å; H607-L609 PolarHBondContact O-N 2.88Å; L609-T613 VanDerWaalsContact C-OG1 3.24Å; L609-T613 VanDerWaalsContact CA-OG1 3.29Å; L609-T613 WeakPolarHBondContact CA-OG1 3.19Å; L609-T613 PolarHBondContact O-OG1 3.05Å
610	S	67.2	Low	57.6	Low	78 Å²	78	103.1 Å²	103.1	55%	0.545	55%	0.55	S	S	.	*	I	π-helix	trans	-123.9	-20.3	-177.8	-176	0	0	0	0	114.2	R606 H607 I608	R606-S610 WeakPolarHBondContact O-CB 3.49Å; R606-S610 PolarHBondContact O-N 3.41Å; H607-S610 PolarHBondContact O-N 3.19Å; I608-S610 PolarHBondContact O-N 3.41Å; I608-S610 VanDerWaalsContact O-N 3.17Å
611	V	63.1	Low	55.9	Low	87 Å²	87	108.7 Å²	108.7	53%	0.527	58%	0.575	S	S	.	*	I	π-helix	trans	-112.2	-31.1	-178.5	-178.8	0	0	0	0	111.4	H607	H607-V611 WeakPolarHBondContact O-CB 3.47Å; H607-V611 WeakPolarHBondContact O-CG2 3.35Å; H607-V611 PolarHBondContact O-N 3.46Å
612	H	64.7	Low	54	Low	67 Å²	67	113.8 Å²	113.8	31%	0.31	59%	0.591	S	S	.	*	I	π-helix	trans	-110.1	-3.7	-177	-59.9	-63.2	0	0	0	113.7	C591 H593 C594 H607 I608	C591-H612 VanDerWaalsContact SG-CD2 3.56Å; C591-H612 PolarHBondContact SG-NE2 2.99Å; H593-H612 HydrophobicContact CB-CB 4.43Å; H593-H612 VanDerWaalsContact CB-CE1 3.46Å; H593-H612 WeakPolarHBondContact CB-CE1 3.37Å; H593-H612 WeakPolarHBondContact CB-ND1 3.3Å; H593-H612 PolarHBondContact O-CE1 3.43Å; C594-H612 PolarHBondContact SG-NE2 3.22Å; C594-H612 VanDerWaalsContact SG-NE2 3.45Å; H607-H612 AromaticContact NE2-NE2 3.68Å; I608-H612 WeakPolarHBondContact O-CB 3.16Å; I608-H612 PolarHBondContact O-N 3.4Å
613	T	65.3	Low	51.9	Low	84 Å²	84	110.3 Å²	110.3	52%	0.515	59%	0.587	S	S	.	*	S	Bend	trans	-129.4	97.1	165	55.1	0	0	0	0	109.3	I608 L609	I608-T613 PolarHBondContact O-N 3.44Å; L609-T613 VanDerWaalsContact C-OG1 3.24Å; L609-T613 VanDerWaalsContact CA-OG1 3.29Å; L609-T613 WeakPolarHBondContact CA-OG1 3.19Å; L609-T613 PolarHBondContact O-OG1 3.05Å
614	K	47.8	Very low	49.9	Very low	173 Å²	173	116.5 Å²	116.5	75%	0.752	62%	0.615	S	S	*	*			trans	-134.6	155.4	169.7	-153.9	174.6	-175.3	-164.1	0	110.7
615	E	39.7	Very low	47.8	Very low	151 Å²	151	119.7 Å²	119.7	71%	0.706	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-58.5	141.9	-159.7	-55.9	116	109.5	0	0	115.2
616	Q	32.6	Very low	45.9	Very low	197 Å²	197	126.2 Å²	126.2	92%	0.921	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-83.2	123.2	148.8	-78.8	-173.4	-24.5	0	0	108.5
617	Q	35.7	Very low	43.8	Very low	190 Å²	190	127.3 Å²	127.3	89%	0.888	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-80.6	140.8	167.6	-65.9	176.8	-15.5	0	0	109.6
618	A	27.4	Very low	41.6	Very low	105 Å²	105	132.3 Å²	132.3	87%	0.868	70%	0.701	S	S	*	*			trans	-139.5	123	161.3	0	0	0	0	0	108.4
619	S	24.5	Very low	39.5	Very low	116 Å²	116	136.1 Å²	136.1	81%	0.811	72%	0.718	S	S	*	*			trans	-92.8	172.6	-179.3	60.4	0	0	0	0	110.9
620	P	51.7	Low	37.4	Very low	119 Å²	119	135.4 Å²	135.4	77%	0.773	72%	0.719	S	S	*	*			trans	-88.2	154.8	-158.5	35.1	-36	0	0	0	114.3
621	E	26.5	Very low	35.5	Very low	152 Å²	152	140 Å²	140	71%	0.71	73%	0.731	S	S	*	*			trans	-160.3	150	138.9	-112.2	-174.8	150.9	0	0	112.6
622	K	26.7	Very low	33.8	Very low	174 Å²	174	141.9 Å²	141.9	76%	0.757	74%	0.743	S	S	*	*			trans	25.3	144.5	142.5	-65.6	161.8	-170.8	164.5	0	119.6
623	S	26.4	Very low	32.7	Very low	97 Å²	97	144.2 Å²	144.2	68%	0.678	76%	0.764	S	S	*	*			cis	-168.6	157.1	20.6	42.4	0	0	0	0	111.8
624	E	26.5	Very low	30.8	Very low	190 Å²	190	146.3 Å²	146.3	89%	0.888	78%	0.777	S	S	*	*			trans	55.3	136.8	149.3	-67	174.3	173.1	0	0	119.5
625	A	26.7	Very low	29.9	Very low	85 Å²	85	142.4 Å²	142.4	70%	0.702	78%	0.777	S	S	*	*			cis	-159.8	-157	-6.9	0	0	0	0	0	106.7
626	K	28.9	Very low	29.6	Very low	202 Å²	202	139.7 Å²	139.7	88%	0.878	78%	0.78	S	S	*	*			cis	-160.9	-169	6.5	-146.3	158.3	-171.5	170.1	0	109.4
627	R	26.5	Very low	29.9	Very low	203 Å²	203	135.6 Å²	135.6	77%	0.766	77%	0.77	S	S	*	*			trans	-56.4	155	166.6	-89.5	175.9	155.2	159.3	-2.1	112.7	E629	R627-E629 IonicContact CZ-OE1 3.08Å; R627-E629 IonicContact NE-OE1 2.66Å; R627-E629 PolarHBondContact NE-OE1 2.6Å; R627-E629 VanDerWaalsContact NE-OE1 3.11Å; R627-E629 IonicContact NH2-OE1 2.67Å
628	T	25.8	Very low	29.9	Very low	134 Å²	134	135.1 Å²	135.1	82%	0.822	77%	0.766	S	S	*	*			cis	-140.4	160.9	49.4	45.5	0	0	0	0	117.2
629	E	26.5	Very low	29.9	Very low	132 Å²	132	137.3 Å²	137.3	62%	0.617	76%	0.762	S	S	*	*			trans	-64.5	170.3	164.6	-55.7	122.2	-139	0	0	110.6	R627	R627-E629 IonicContact CZ-OE1 3.08Å; R627-E629 IonicContact NE-OE1 2.66Å; R627-E629 PolarHBondContact NE-OE1 2.6Å; R627-E629 VanDerWaalsContact NE-OE1 3.11Å; R627-E629 IonicContact NH2-OE1 2.67Å
630	T	24.3	Very low	30.5	Very low	107 Å²	107	137.3 Å²	137.3	66%	0.656	76%	0.758	S	S	*	*			cis	-159.3	174.8	42.4	50.8	0	0	0	0	114.9
631	H	29.2	Very low	29.2	Very low	174 Å²	174	137.9 Å²	137.9	81%	0.806	76%	0.759	S	S	*	*			trans	72.9	88.9	157.2	-57.8	-52.2	0	0	0	122
632	T	26.3	Very low	29.5	Very low	128 Å²	128	136.9 Å²	136.9	79%	0.785	76%	0.763	S	S	*	*				-74.3	178.5	127.4	50.6	0	0	0	0	109.9
633	P	40.8	Very low	29.6	Very low	115 Å²	115	135 Å²	135	75%	0.747	77%	0.766	S	S	*	*			cis	-121	-168	5	25.9	0.4	0	0	0	112.6
634	V	26.3	Very low	30.2	Very low	129 Å²	129	138.1 Å²	138.1	78%	0.782	77%	0.773	S	S	*	*				-171.2	156.7	59.2	163	0	0	0	0	111.3
635	A	28.6	Very low	30.2	Very low	91 Å²	91	132.2 Å²	132.2	75%	0.752	76%	0.763	S	S	*	*			trans	66.3	115.7	161.1	0	0	0	0	0	121.1
636	A	33.1	Very low	30.4	Very low	94 Å²	94	138.2 Å²	138.2	78%	0.777	77%	0.774	S	S	*	*				-87	160.8	127.3	0	0	0	0	0	108.4
637	P	40.3	Very low	30.9	Very low	110 Å²	110	132.2 Å²	132.2	71%	0.714	77%	0.769	S	S	*	*				-148	156.3	89.1	38.8	-22.7	0	0	0	116.8
638	K	34.1	Very low	31.1	Very low	181 Å²	181	131.5 Å²	131.5	79%	0.787	77%	0.774	S	S	*	*			trans	35.6	123	138.9	-58.1	179.3	-179.2	-177.2	0	120.5
639	N	27.7	Very low	31.8	Very low	150 Å²	150	134.7 Å²	134.7	80%	0.802	78%	0.777	S	S	*	*				60.5	154.6	125.2	-56.5	11.7	0	0	0	120.1
640	V	36.7	Very low	32.4	Very low	117 Å²	117	136.6 Å²	136.6	71%	0.709	79%	0.786	S	S	*	*			cis	-162.6	142.7	-21.1	134.6	0	0	0	0	104.7
641	T	25.3	Very low	33.6	Very low	131 Å²	131	140.3 Å²	140.3	80%	0.804	79%	0.793	S	S	*	*			trans	-170.4	135.5	144.2	6.1	0	0	0	0	111.4
642	V	32.9	Very low	34.9	Very low	131 Å²	131	140.8 Å²	140.8	79%	0.794	79%	0.787	S	S	*	*			trans	-110.2	127.7	161.5	173.8	0	0	0	0	106.9	I644	V642-I644 HydrophobicContact CG1-CG1 4.33Å
643	V	28.8	Very low	36.4	Very low	135 Å²	135	140.3 Å²	140.3	82%	0.818	78%	0.779	S	S	*	*			trans	-114.3	122.2	168	179	0	0	0	0	107.2	G645	V643-G645 PolarHBondContact O-N 2.82Å
644	I	39.7	Very low	37.6	Very low	161 Å²	161	139 Å²	139	83%	0.826	76%	0.76	S	S	*	*			trans	-79	107.3	-172.3	-61.9	176.3	0	0	0	110.2	V642	V642-I644 HydrophobicContact CG1-CG1 4.33Å
645	G	26.4	Very low	39.4	Very low	66 Å²	66	138.9 Å²	138.9	68%	0.68	75%	0.75	S	S	*	*			trans	-93.8	138.2	169.8	0	0	0	0	0	112	V643 G647	V643-G645 PolarHBondContact O-N 2.82Å; G645-G647 PolarHBondContact O-N 3.18Å
646	K	29.7	Very low	41.2	Very low	212 Å²	212	134.9 Å²	134.9	92%	0.922	72%	0.717	S	S	*	*			trans	-70.1	126.5	-173.1	-67.5	176.7	178.8	176.5	0	113.4
647	G	39.2	Very low	42.4	Very low	76 Å²	76	139 Å²	139	78%	0.784	72%	0.72	S	S	*	*			trans	67.7	71.5	135.8	0	0	0	0	0	118.8	G645	G645-G647 PolarHBondContact O-N 3.18Å
648	Q	31	Very low	43.3	Very low	188 Å²	188	141.7 Å²	141.7	88%	0.879	72%	0.717	S	S	*	*			trans	-129.4	142.6	148.8	-67.4	-164.3	6.9	0	0	110.5	E650	Q648-E650 PolarHBondContact O-N 3.47Å
649	K	40.2	Very low	45	Very low	201 Å²	201	135.1 Å²	135.1	87%	0.874	69%	0.694	S	S	*	*			trans	-70.3	110.8	171.9	-70.2	-178.1	178.8	179.8	0	108.4	K651	K649-K651 PolarHBondContact O-N 2.88Å
650	E	39.4	Very low	46.7	Very low	171 Å²	171	135.4 Å²	135.4	80%	0.799	70%	0.695	S	S	*	*			trans	-56.3	103.3	176.6	-67.8	-170.1	145.1	0	0	111.1	Q648 R652	Q648-E650 PolarHBondContact O-N 3.47Å; E650-R652 PolarHBondContact O-N 3.2Å
651	K	50.2	Low	48.1	Very low	185 Å²	185	134.6 Å²	134.6	80%	0.804	68%	0.68	S	S	*	*			trans	-69.2	98	164.2	-70.1	-179.8	-179.8	175.7	0	106.8	K649 I653	K649-K651 PolarHBondContact O-N 2.88Å; K651-I653 WeakPolarHBondContact O-CG1 3.33Å; K651-I653 PolarHBondContact O-N 2.92Å
652	R	56	Low	50.1	Low	184 Å²	184	131.2 Å²	131.2	69%	0.694	66%	0.662	S	S	*	*			trans	-56.7	107.5	176	-68.4	-171.8	177.2	-163.8	-1.7	109.4	E650 Y654	E650-R652 PolarHBondContact O-N 3.2Å; R652-Y654 HydrophobicContact CB-CE2 4.27Å; R652-Y654 VanDerWaalsContact O-CD2 3.26Å; R652-Y654 WeakPolarHBondContact O-CD2 3.49Å; R652-Y654 VanDerWaalsContact O-CE2 3.24Å; R652-Y654 WeakPolarHBondContact O-CE2 3.5Å; R652-Y654 PolarHBondContact O-N 3.45Å
653	I	58.8	Low	51.9	Low	119 Å²	119	126.1 Å²	126.1	61%	0.61	63%	0.631	S	S	*	*			trans	-82.4	113.1	178.2	-59.5	-177.5	0	0	0	107.8	K651 Q655	K651-I653 WeakPolarHBondContact O-CG1 3.33Å; K651-I653 PolarHBondContact O-N 2.92Å; I653-Q655 PolarHBondContact O-N 3.36Å
654	Y	64.4	Low	53.6	Low	87 Å²	87	121.7 Å²	121.7	34%	0.341	61%	0.613	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.4	103.4	173.4	-56.8	-89.5	0	0	0	108.5	R652 S662 T663 A666 F669	R652-Y654 HydrophobicContact CB-CE2 4.27Å; R652-Y654 VanDerWaalsContact O-CD2 3.26Å; R652-Y654 WeakPolarHBondContact O-CD2 3.49Å; R652-Y654 VanDerWaalsContact O-CE2 3.24Å; R652-Y654 WeakPolarHBondContact O-CE2 3.5Å; R652-Y654 PolarHBondContact O-N 3.45Å; Y654-S662 WeakPolarHBondContact O-CA 3.39Å; Y654-T663 PolarHBondContact N-O 3.16Å; Y654-T663 PolarHBondContact O-N 3.07Å; Y654-A666 HydrophobicContact CD2-CB 4.38Å; Y654-A666 HydrophobicContact CE1-CB 4.17Å; Y654-A666 HydrophobicContact CE2-CB 3.88Å; Y654-F669 HydrophobicContact CG-CB 4.24Å; Y654-F669 HydrophobicContact CG-CG 4.33Å; Y654-F669 WeakPolarHBondContact O-CD2 3.39Å
655	Q	65.3	Low	54.8	Low	126 Å²	126	119.4 Å²	119.4	59%	0.589	60%	0.602	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.7	141.1	177	-175.1	168.6	-2	0	0	110.9	I653 F669	I653-Q655 PolarHBondContact O-N 3.36Å; Q655-F669 WeakPolarHBondContact O-CE2 3.41Å
656	C	66.1	Low	56.8	Low	7 Å²	7	118.1 Å²	118.1	5%	0.047	59%	0.585	C	S	.	*			trans	-80.7	131	179	-168.7	0	0	0	0	110.4	Y658 C659 Y661 F669 H672	C656-Y658 PolarHBondContact O-N 3.12Å; C656-C659 WeakPolarHBondContact CB-O 3.37Å; C656-Y661 PolarHBondContact N-O 3.29Å; C656-F669 HydrophobicContact CB-CE2 4.03Å; C656-H672 WeakPolarHBondContact CB-NE2 3.24Å; C656-H672 PolarHBondContact SG-NE2 3.17Å; C656-H672 VanDerWaalsContact SG-NE2 3.41Å
657	Q	58.8	Low	58.6	Low	180 Å²	180	112.2 Å²	112.2	84%	0.841	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-3.9	178.1	-158.1	169.6	17.5	0	0	112.9
658	Y	59.8	Low	60	Low	167 Å²	167	109.1 Å²	109.1	66%	0.655	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	-3.8	-174	-53.6	-67.8	0	0	0	114.2	C656 H677	C656-Y658 PolarHBondContact O-N 3.12Å; Y658-H677 WeakPolarHBondContact CB-CE1 3.48Å; Y658-H677 WeakPolarHBondContact CB-ND1 3.43Å; Y658-H677 PolarHBondContact O-CE1 2.91Å
659	C	69.8	Low	62	Low	44 Å²	44	102.5 Å²	102.5	30%	0.297	51%	0.507	S	S	.	.	S	Bend	trans	-171.3	165.1	167.6	67	0	0	0	0	110.6	C656 Y661 H672	C656-C659 WeakPolarHBondContact CB-O 3.37Å; C659-Y661 PolarHBondContact O-N 2.93Å; C659-H672 PolarHBondContact SG-CE1 3.03Å; C659-H672 PolarHBondContact SG-NE2 3Å; C659-H672 VanDerWaalsContact SG-NE2 3.39Å
660	D	62.8	Low	63.4	Low	156 Å²	156	99.9 Å²	99.9	83%	0.834	50%	0.496	S	S	*	.	S	Bend	trans	-69.8	16.2	-171.3	-45.6	-67.3	0	0	0	116.4
661	Y	66.3	Low	64.7	Low	99 Å²	99	99.3 Å²	99.3	39%	0.388	49%	0.486	S	S	.	.			trans	-77.3	127.2	176.3	-174.5	-99	0	0	0	111.7	C656 C659 T663 H672	C656-Y661 PolarHBondContact N-O 3.29Å; C659-Y661 PolarHBondContact O-N 2.93Å; Y661-T663 HydrophobicContact CE1-CG2 3.86Å; Y661-H672 WeakPolarHBondContact CB-CE1 3.42Å; Y661-H672 HydrophobicContact CD1-CB 3.72Å; Y661-H672 AromaticContact CD1-CD2 3.67Å; Y661-H672 AromaticContact CD1-CE1 3.82Å; Y661-H672 AromaticContact CD1-CG 3.26Å; Y661-H672 AromaticContact CD1-ND1 3.37Å; Y661-H672 WeakPolarHBondContact CD1-ND1 3.42Å; Y661-H672 HydrophobicContact CE1-CB 3.63Å; Y661-H672 AromaticContact CE1-CG 3.73Å; Y661-H672 AromaticContact CE1-ND1 3.99Å; Y661-H672 AromaticContact CG-CE1 3.67Å; Y661-H672 AromaticContact CG-CG 3.88Å; Y661-H672 AromaticContact CG-ND1 3.47Å
662	S	67.3	Low	65.8	Low	60 Å²	60	91.6 Å²	91.6	42%	0.42	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	150.4	174.7	71.9	0	0	0	0	111.8	Y654	Y654-S662 WeakPolarHBondContact O-CA 3.39Å
663	T	71	Confident	66.4	Low	25 Å²	25	84.7 Å²	84.7	15%	0.153	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	147	-178.4	-177.3	0	0	0	0	112	Y654 Y661 D665 F669	Y654-T663 PolarHBondContact N-O 3.16Å; Y654-T663 PolarHBondContact O-N 3.07Å; Y661-T663 HydrophobicContact CE1-CG2 3.86Å; T663-D665 VanDerWaalsContact C-N 3.26Å; T663-D665 PolarHBondContact O-N 3.38Å; T663-D665 PolarHBondContact OG1-N 2.87Å; T663-F669 HydrophobicContact CG2-CB 3.82Å
664	G	63	Low	66.6	Low	42 Å²	42	82.6 Å²	82.6	43%	0.433	42%	0.42	S	S	.	.	S	Bend	trans	-74.4	-13.2	174.4	0	0	0	0	0	114.4
665	D	66.5	Low	66.5	Low	113 Å²	113	79.3 Å²	79.3	60%	0.604	41%	0.41	S	S	*	.			trans	-102.8	114.7	-174	-67.9	-31.6	0	0	0	111.9	T663 S667 G668 F669	T663-D665 VanDerWaalsContact C-N 3.26Å; T663-D665 PolarHBondContact O-N 3.38Å; T663-D665 PolarHBondContact OG1-N 2.87Å; D665-S667 PolarHBondContact O-N 3.23Å; D665-S667 VanDerWaalsContact O-N 3.09Å; D665-G668 WeakPolarHBondContact O-CA 3.38Å; D665-G668 PolarHBondContact O-N 3.48Å; D665-F669 PolarHBondContact O-N 3.12Å
666	A	66.6	Low	66.2	Low	38 Å²	38	76.7 Å²	76.7	31%	0.314	40%	0.399	S	S	.	.	H	α-helix	trans	-55.2	-31.6	175.1	0	0	0	0	0	113.2	Y654 K670	Y654-A666 HydrophobicContact CD2-CB 4.38Å; Y654-A666 HydrophobicContact CE1-CB 4.17Å; Y654-A666 HydrophobicContact CE2-CB 3.88Å; A666-K670 WeakPolarHBondContact O-CG 3.3Å; A666-K670 PolarHBondContact O-N 3.15Å
667	S	69.3	Low	65.8	Low	88 Å²	88	79.7 Å²	79.7	62%	0.615	41%	0.413	S	S	*	.	H	α-helix	trans	-76.3	-27	175.1	-62.3	0	0	0	0	113.5	D665 R671	D665-S667 PolarHBondContact O-N 3.23Å; D665-S667 VanDerWaalsContact O-N 3.09Å; S667-R671 WeakPolarHBondContact O-CB 3.42Å
668	G	66.6	Low	65.9	Low	11 Å²	11	74.7 Å²	74.7	11%	0.113	39%	0.394	C	S	.	.	H	α-helix	trans	-71.2	-45.8	168.3	0	0	0	0	0	110.7	D665 R671 H672	D665-G668 WeakPolarHBondContact O-CA 3.38Å; D665-G668 PolarHBondContact O-N 3.48Å; G668-R671 WeakPolarHBondContact O-CB 3.49Å; G668-R671 PolarHBondContact O-N 2.94Å; G668-H672 PolarHBondContact O-N 3.38Å
669	F	74.2	Confident	65.7	Low	50 Å²	50	73.9 Å²	73.9	22%	0.219	39%	0.394	C	S	.	.	H	α-helix	trans	-58.2	-53.7	179.4	-176.9	-111	0	0	0	112.9	Y654 Q655 C656 T663 D665 R671 H672 V673	Y654-F669 HydrophobicContact CG-CB 4.24Å; Y654-F669 HydrophobicContact CG-CG 4.33Å; Y654-F669 WeakPolarHBondContact O-CD2 3.39Å; Q655-F669 WeakPolarHBondContact O-CE2 3.41Å; C656-F669 HydrophobicContact CB-CE2 4.03Å; T663-F669 HydrophobicContact CG2-CB 3.82Å; D665-F669 PolarHBondContact O-N 3.12Å; F669-R671 VanDerWaalsContact C-N 3.25Å; F669-R671 PolarHBondContact O-N 3.44Å; F669-H672 WeakPolarHBondContact O-CB 3.29Å; F669-H672 PolarHBondContact O-N 3.43Å; F669-H672 VanDerWaalsContact O-N 3.09Å; F669-V673 HydrophobicContact CD1-CG2 4.47Å; F669-V673 HydrophobicContact CD2-CG2 4.46Å; F669-V673 HydrophobicContact CE1-CG2 4.05Å; F669-V673 HydrophobicContact CE2-CG2 4.02Å; F669-V673 HydrophobicContact CZ-CG2 3.8Å; F669-V673 WeakPolarHBondContact O-CG2 3.24Å; F669-V673 PolarHBondContact O-N 3.41Å
670	K	68.7	Low	65.1	Low	146 Å²	146	76.8 Å²	76.8	64%	0.635	41%	0.406	S	S	*	.	H	α-helix	trans	-57.1	-39.4	176.9	-72.9	178.7	178.8	-177.6	0	112.3	A666 I674	A666-K670 WeakPolarHBondContact O-CG 3.3Å; A666-K670 PolarHBondContact O-N 3.15Å; K670-I674 WeakPolarHBondContact O-CD1 3.46Å; K670-I674 VanDerWaalsContact O-CG1 3.29Å; K670-I674 WeakPolarHBondContact O-CG1 3.48Å; K670-I674 PolarHBondContact O-N 3.11Å
671	R	66.5	Low	65	Low	159 Å²	159	72.4 Å²	72.4	60%	0.6	38%	0.379	S	S	*	.	H	α-helix	trans	-66.7	-39.3	177.4	-168.4	-173.8	-59.5	123.5	0.9	112.1	S667 G668 F669 S675	S667-R671 WeakPolarHBondContact O-CB 3.42Å; G668-R671 WeakPolarHBondContact O-CB 3.49Å; G668-R671 PolarHBondContact O-N 2.94Å; F669-R671 VanDerWaalsContact C-N 3.25Å; F669-R671 PolarHBondContact O-N 3.44Å; R671-S675 WeakPolarHBondContact O-CB 3.37Å; R671-S675 PolarHBondContact O-N 3.4Å
672	H	73.3	Confident	64.9	Low	23 Å²	23	72.1 Å²	72.1	11%	0.106	39%	0.389	C	S	.	.	H	α-helix	trans	-62.4	-52	174.4	163.7	83.7	0	0	0	111.5	C656 C659 Y661 G668 F669 I674 S675 I676 H677	C656-H672 WeakPolarHBondContact CB-NE2 3.24Å; C656-H672 PolarHBondContact SG-NE2 3.17Å; C656-H672 VanDerWaalsContact SG-NE2 3.41Å; C659-H672 PolarHBondContact SG-CE1 3.03Å; C659-H672 PolarHBondContact SG-NE2 3Å; C659-H672 VanDerWaalsContact SG-NE2 3.39Å; Y661-H672 WeakPolarHBondContact CB-CE1 3.42Å; Y661-H672 HydrophobicContact CD1-CB 3.72Å; Y661-H672 AromaticContact CD1-CD2 3.67Å; Y661-H672 AromaticContact CD1-CE1 3.82Å; Y661-H672 AromaticContact CD1-CG 3.26Å; Y661-H672 AromaticContact CD1-ND1 3.37Å; Y661-H672 WeakPolarHBondContact CD1-ND1 3.42Å; Y661-H672 HydrophobicContact CE1-CB 3.63Å; Y661-H672 AromaticContact CE1-CG 3.73Å; Y661-H672 AromaticContact CE1-ND1 3.99Å; Y661-H672 AromaticContact CG-CE1 3.67Å; Y661-H672 AromaticContact CG-CG 3.88Å; Y661-H672 AromaticContact CG-ND1 3.47Å; G668-H672 PolarHBondContact O-N 3.38Å; F669-H672 WeakPolarHBondContact O-CB 3.29Å; F669-H672 PolarHBondContact O-N 3.43Å; F669-H672 VanDerWaalsContact O-N 3.09Å; H672-I674 PolarHBondContact O-N 2.86Å; H672-S675 PolarHBondContact O-N 3.46Å; H672-S675 VanDerWaalsContact O-N 3.16Å; H672-I676 WeakPolarHBondContact O-CB 3.18Å; H672-I676 PolarHBondContact O-N 3.19Å; H672-H677 AromaticContact NE2-NE2 3.62Å
673	V	68.7	Low	64.9	Low	38 Å²	38	72.5 Å²	72.5	23%	0.23	38%	0.384	C	S	.	.	H	α-helix	trans	-57.3	-47.8	-177.5	174.7	0	0	0	0	111.4	F669 H677 T678	F669-V673 HydrophobicContact CD1-CG2 4.47Å; F669-V673 HydrophobicContact CD2-CG2 4.46Å; F669-V673 HydrophobicContact CE1-CG2 4.05Å; F669-V673 HydrophobicContact CE2-CG2 4.02Å; F669-V673 HydrophobicContact CZ-CG2 3.8Å; F669-V673 WeakPolarHBondContact O-CG2 3.24Å; F669-V673 PolarHBondContact O-N 3.41Å; V673-H677 WeakPolarHBondContact O-CB 3.29Å; V673-H677 PolarHBondContact O-N 3.07Å; V673-T678 PolarHBondContact O-N 2.88Å
674	I	64.4	Low	65	Low	76 Å²	76	77.6 Å²	77.6	39%	0.39	40%	0.401	S	S	.	.	I	π-helix	trans	-62.7	-49.2	176.2	-64.1	165.5	0	0	0	110.8	K670 H672 I676 T678 K679 D680	K670-I674 WeakPolarHBondContact O-CD1 3.46Å; K670-I674 VanDerWaalsContact O-CG1 3.29Å; K670-I674 WeakPolarHBondContact O-CG1 3.48Å; K670-I674 PolarHBondContact O-N 3.11Å; H672-I674 PolarHBondContact O-N 2.86Å; I674-I676 VanDerWaalsContact C-N 3.35Å; I674-I676 PolarHBondContact O-N 3.09Å; I674-T678 PolarHBondContact O-N 2.89Å; I674-T678 PolarHBondContact O-OG1 2.92Å; I674-K679 PolarHBondContact O-N 2.89Å; I674-D680 HydrophobicContact CG2-CB 4.28Å
675	S	61.1	Low	65.5	Low	18 Å²	18	75.6 Å²	75.6	13%	0.126	38%	0.38	C	S	.	.	I	π-helix	trans	-74.4	-18.3	-171.2	-176	0	0	0	0	115.3	R671 H672 R693	R671-S675 WeakPolarHBondContact O-CB 3.37Å; R671-S675 PolarHBondContact O-N 3.4Å; H672-S675 PolarHBondContact O-N 3.46Å; H672-S675 VanDerWaalsContact O-N 3.16Å; S675-R693 PolarHBondContact O-NH2 3Å; S675-R693 WeakPolarHBondContact OG-CD 3.06Å; S675-R693 WeakPolarHBondContact OG-CG 3.46Å; S675-R693 PolarHBondContact OG-NE 3.12Å
676	I	58.8	Low	65.7	Low	70 Å²	70	78 Å²	78	36%	0.359	39%	0.388	S	S	.	.	I	π-helix	trans	-109.1	-50.9	-179.3	-60	-59.8	0	0	0	111.1	H672 I674	H672-I676 WeakPolarHBondContact O-CB 3.18Å; H672-I676 PolarHBondContact O-N 3.19Å; I674-I676 VanDerWaalsContact C-N 3.35Å; I674-I676 PolarHBondContact O-N 3.09Å
677	H	59	Low	66	Low	71 Å²	71	80.3 Å²	80.3	33%	0.329	39%	0.394	S	S	.	.	I	π-helix	trans	-93.6	-38.5	-168.6	-60	-74.8	0	0	0	113.4	Y658 H672 V673	Y658-H677 WeakPolarHBondContact CB-CE1 3.48Å; Y658-H677 WeakPolarHBondContact CB-ND1 3.43Å; Y658-H677 PolarHBondContact O-CE1 2.91Å; H672-H677 AromaticContact NE2-NE2 3.62Å; V673-H677 WeakPolarHBondContact O-CB 3.29Å; V673-H677 PolarHBondContact O-N 3.07Å
678	T	61	Low	66.4	Low	74 Å²	74	78.7 Å²	78.7	45%	0.454	38%	0.382	S	S	.	.	I	π-helix	trans	-85.7	-18.2	176.8	81.7	0	0	0	0	113.5	V673 I674 D680	V673-T678 PolarHBondContact O-N 2.88Å; I674-T678 PolarHBondContact O-N 2.89Å; I674-T678 PolarHBondContact O-OG1 2.92Å; T678-D680 PolarHBondContact O-N 2.96Å; T678-D680 VanDerWaalsContact O-N 3.09Å; T678-D680 PolarHBondContact OG1-N 2.91Å
679	K	55.8	Low	66.5	Low	151 Å²	151	82 Å²	82	66%	0.657	40%	0.404	S	S	*	.			trans	56.2	16.6	-175.7	-69.6	177.5	177.8	169.6	0	114.5	I674 Y681	I674-K679 PolarHBondContact O-N 2.89Å; K679-Y681 WeakPolarHBondContact O-CD2 3.27Å; K679-Y681 WeakPolarHBondContact O-CE2 3.16Å; K679-Y681 PolarHBondContact O-N 3.17Å; K679-Y681 VanDerWaalsContact O-N 3.15Å
680	D	56.8	Low	66.6	Low	104 Å²	104	85.7 Å²	85.7	56%	0.556	42%	0.419	S	S	*	.			trans	-76.3	103.7	172.7	-90.1	-51.5	0	0	0	110.4	I674 T678 P682	I674-D680 HydrophobicContact CG2-CB 4.28Å; T678-D680 PolarHBondContact O-N 2.96Å; T678-D680 VanDerWaalsContact O-N 3.09Å; T678-D680 PolarHBondContact OG1-N 2.91Å; D680-P682 VanDerWaalsContact O-CD 3.24Å; D680-P682 WeakPolarHBondContact O-CD 3.48Å
681	Y	60.4	Low	66.8	Low	64 Å²	64	79.7 Å²	79.7	25%	0.251	40%	0.399	S	S	.	.			trans	-87.5	102.3	170.9	-67.5	-88.7	0	0	0	108.8	K679 H683 R693	K679-Y681 WeakPolarHBondContact O-CD2 3.27Å; K679-Y681 WeakPolarHBondContact O-CE2 3.16Å; K679-Y681 PolarHBondContact O-N 3.17Å; K679-Y681 VanDerWaalsContact O-N 3.15Å; Y681-H683 PolarHBondContact O-N 3.18Å; Y681-H683 VanDerWaalsContact O-N 3.11Å; Y681-R693 HydrophobicContact CD1-CG 3.87Å; Y681-R693 HydrophobicContact CE1-CG 3.55Å; Y681-R693 PolarHBondContact OH-NH2 3.15Å
682	P	63.8	Low	67.2	Low	94 Å²	94	73.4 Å²	73.4	61%	0.61	38%	0.376	S	S	*	.	S	Bend	trans	-71.4	-12.3	-170	-16.4	32.9	0	0	0	113.2	D680	D680-P682 VanDerWaalsContact O-CD 3.24Å; D680-P682 WeakPolarHBondContact O-CD 3.48Å
683	H	67.8	Low	66.8	Low	68 Å²	68	78.2 Å²	78.2	32%	0.315	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	81.1	-175.2	-53.9	-51.9	0	0	0	109.6	Y681 F692 P695 K698	Y681-H683 PolarHBondContact O-N 3.18Å; Y681-H683 VanDerWaalsContact O-N 3.11Å; H683-F692 WeakPolarHBondContact O-CB 3.45Å; H683-F692 PolarHBondContact O-N 3.37Å; H683-P695 VanDerWaalsContact CD2-CD 3.49Å; H683-P695 WeakPolarHBondContact CD2-CD 3.43Å; H683-K698 HydrophobicContact CB-CB 4.45Å; H683-K698 HydrophobicContact CB-CD 4.22Å
684	R	73.7	Confident	66.6	Low	131 Å²	131	83.6 Å²	83.6	49%	0.494	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	142.6	169.8	-66.6	177.3	-178	-92.7	3	110.4	S689 K690 K698	R684-S689 PolarHBondContact NH1-O 2.9Å; R684-S689 VanDerWaalsContact NH1-O 3.12Å; R684-K690 CarbonylContact C-O 3.54Å; R684-K690 VanDerWaalsContact CA-O 3.29Å; R684-K690 WeakPolarHBondContact CA-O 3.35Å; R684-K698 WeakPolarHBondContact O-CD 3.48Å; R684-K698 WeakPolarHBondContact O-CE 3.5Å; R684-K698 PolarHBondContact O-NZ 2.94Å
685	C	73.5	Confident	67	Low	0 Å²	0	83.2 Å²	83.2	0%	0	41%	0.412	C	S	.	.			trans	-65.5	129.1	163.8	178.2	0	0	0	0	108.6	I687 C688 S689 K690 F692 H706	C685-I687 VanDerWaalsContact C-N 3.28Å; C685-I687 PolarHBondContact O-N 3.45Å; C685-C688 VanDerWaalsContact CB-SG 3.51Å; C685-S689 WeakPolarHBondContact O-CA 3.31Å; C685-S689 PolarHBondContact O-N 2.88Å; C685-K690 PolarHBondContact N-O 3.45Å; C685-F692 HydrophobicContact CB-CE2 3.99Å; C685-H706 VanDerWaalsContact SG-CD2 3.6Å
686	E	70.1	Confident	67.7	Low	165 Å²	165	85.6 Å²	85.6	77%	0.771	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-20.6	-177.6	-77.6	146.3	-105.7	0	0	112.8	K698	E686-K698 IonicContact OE1-NZ 2.64Å; E686-K698 PolarHBondContact OE1-NZ 3.45Å
687	I	72.8	Confident	68.5	Low	85 Å²	85	85.4 Å²	85.4	44%	0.436	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-28	-176.9	-52.5	170.4	0	0	0	111.8	C685 H706 V709	C685-I687 VanDerWaalsContact C-N 3.28Å; C685-I687 PolarHBondContact O-N 3.45Å; I687-H706 HydrophobicContact CD1-CB 3.57Å; I687-H706 WeakPolarHBondContact CG2-ND1 3.4Å; I687-V709 HydrophobicContact CD1-CB 4.44Å; I687-V709 HydrophobicContact CD1-CG1 4.24Å
688	C	76.6	Confident	69.6	Low	54 Å²	54	83.4 Å²	83.4	37%	0.365	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.4	6.3	-176.6	74.1	0	0	0	0	115.2	C685 K690 H701	C685-C688 VanDerWaalsContact CB-SG 3.51Å; C688-K690 PolarHBondContact O-N 3.42Å; C688-K690 VanDerWaalsContact SG-CB 3.6Å; C688-H701 PolarHBondContact SG-NE2 3.22Å
689	S	70.7	Confident	70.3	Confident	82 Å²	82	84.1 Å²	84.1	57%	0.573	42%	0.418	S	S	*	.			trans	56.9	-0.7	-178.7	-69.5	0	0	0	0	117.6	R684 C685 G691	R684-S689 PolarHBondContact NH1-O 2.9Å; R684-S689 VanDerWaalsContact NH1-O 3.12Å; C685-S689 WeakPolarHBondContact O-CA 3.31Å; C685-S689 PolarHBondContact O-N 2.88Å; S689-G691 PolarHBondContact O-N 3.03Å
690	K	75	Confident	71.5	Confident	126 Å²	126	82 Å²	82	55%	0.548	41%	0.41	S	S	.	.			trans	-63.2	130	179.5	-168.2	167.4	-176.5	172	0	110.8	R684 C685 C688 F692	R684-K690 CarbonylContact C-O 3.54Å; R684-K690 VanDerWaalsContact CA-O 3.29Å; R684-K690 WeakPolarHBondContact CA-O 3.35Å; C685-K690 PolarHBondContact N-O 3.45Å; C688-K690 PolarHBondContact O-N 3.42Å; C688-K690 VanDerWaalsContact SG-CB 3.6Å; K690-F692 HydrophobicContact CB-CE2 3.93Å; K690-F692 HydrophobicContact CB-CZ 4.11Å; K690-F692 HydrophobicContact CD-CZ 3.93Å; K690-F692 HydrophobicContact CG-CE2 4.05Å; K690-F692 HydrophobicContact CG-CZ 3.81Å; K690-F692 VanDerWaalsContact O-CD2 3.27Å; K690-F692 WeakPolarHBondContact O-CD2 3.2Å; K690-F692 WeakPolarHBondContact O-CE2 3.23Å
691	G	73.6	Confident	72.7	Confident	20 Å²	20	78.2 Å²	78.2	21%	0.206	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	137.4	-177.9	0	0	0	0	0	113.3	S689	S689-G691 PolarHBondContact O-N 3.03Å
692	F	73.9	Confident	73.5	Confident	28 Å²	28	76.5 Å²	76.5	12%	0.123	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	152.6	177.6	-61.9	-83.3	0	0	0	111.5	H683 C685 K690 E697 K698 H701	H683-F692 WeakPolarHBondContact O-CB 3.45Å; H683-F692 PolarHBondContact O-N 3.37Å; C685-F692 HydrophobicContact CB-CE2 3.99Å; K690-F692 HydrophobicContact CB-CE2 3.93Å; K690-F692 HydrophobicContact CB-CZ 4.11Å; K690-F692 HydrophobicContact CD-CZ 3.93Å; K690-F692 HydrophobicContact CG-CE2 4.05Å; K690-F692 HydrophobicContact CG-CZ 3.81Å; K690-F692 VanDerWaalsContact O-CD2 3.27Å; K690-F692 WeakPolarHBondContact O-CD2 3.2Å; K690-F692 WeakPolarHBondContact O-CE2 3.23Å; F692-E697 HydrophobicContact CB-CB 4.02Å; F692-E697 HydrophobicContact CD1-CB 3.97Å; F692-E697 HydrophobicContact CG-CB 4.32Å; F692-K698 HydrophobicContact CB-CB 4.12Å; F692-K698 HydrophobicContact CD2-CB 3.95Å; F692-K698 HydrophobicContact CG-CB 4.18Å; F692-H701 HydrophobicContact CE1-CB 3.79Å; F692-H701 AromaticContact CE1-CG 3.95Å; F692-H701 HydrophobicContact CE2-CB 4.08Å; F692-H701 AromaticContact CE2-CD2 3.51Å; F692-H701 AromaticContact CE2-CG 3.86Å; F692-H701 HydrophobicContact CZ-CB 3.5Å; F692-H701 AromaticContact CZ-CD2 3.31Å; F692-H701 WeakPolarHBondContact CZ-CD2 3.37Å; F692-H701 AromaticContact CZ-CG 3.23Å; F692-H701 AromaticContact CZ-ND1 3.82Å; F692-H701 AromaticContact CZ-NE2 3.92Å
693	R	64.4	Low	74.1	Confident	123 Å²	123	77.4 Å²	77.4	46%	0.464	38%	0.381	S	S	.	.	S	Bend	trans	-85.3	-24.2	-176	-61	179.6	171.5	-174.6	-8.8	111.5	S675 Y681 E697	S675-R693 PolarHBondContact O-NH2 3Å; S675-R693 WeakPolarHBondContact OG-CD 3.06Å; S675-R693 WeakPolarHBondContact OG-CG 3.46Å; S675-R693 PolarHBondContact OG-NE 3.12Å; Y681-R693 HydrophobicContact CD1-CG 3.87Å; Y681-R693 HydrophobicContact CE1-CG 3.55Å; Y681-R693 PolarHBondContact OH-NH2 3.15Å; R693-E697 WeakPolarHBondContact CA-OE2 3.29Å; R693-E697 WeakPolarHBondContact CB-OE2 3.08Å; R693-E697 PolarHBondContact N-OE2 3.18Å
694	R	64.7	Low	74.5	Confident	151 Å²	151	82.4 Å²	82.4	57%	0.57	40%	0.397	S	S	*	.	S	Bend	trans	-128.1	148.1	176.3	-55.3	178.2	-169.5	-133.4	1.3	111.9	S696 E697 K698	R694-S696 PolarHBondContact O-N 3.16Å; R694-E697 HydrophobicContact CB-CB 4.38Å; R694-E697 HydrophobicContact CB-CG 3.96Å; R694-E697 WeakPolarHBondContact CD-OE1 3.5Å; R694-E697 HydrophobicContact CG-CG 4.41Å; R694-E697 VanDerWaalsContact CG-OE1 3.23Å; R694-E697 WeakPolarHBondContact CG-OE1 3.17Å; R694-E697 PolarHBondContact N-OE2 3.2Å; R694-E697 IonicContact NE-OE1 3.11Å; R694-E697 PolarHBondContact NE-OE1 3.22Å; R694-E697 WeakPolarHBondContact O-CB 3.4Å; R694-E697 PolarHBondContact O-N 3.09Å; R694-E697 VanDerWaalsContact O-N 3.12Å; R694-K698 PolarHBondContact O-N 3.01Å
695	P	73.2	Confident	74.4	Confident	68 Å²	68	82.3 Å²	82.3	44%	0.442	40%	0.402	S	S	.	.	H	α-helix	trans	-57.1	-34.8	169.3	-24.8	34.4	0	0	0	113.1	H683 E697 K698 N699	H683-P695 VanDerWaalsContact CD2-CD 3.49Å; H683-P695 WeakPolarHBondContact CD2-CD 3.43Å; P695-E697 VanDerWaalsContact C-N 3.34Å; P695-E697 PolarHBondContact O-N 3.35Å; P695-K698 PolarHBondContact O-N 2.99Å; P695-N699 WeakPolarHBondContact O-CB 3.36Å; P695-N699 PolarHBondContact O-N 2.85Å; P695-N699 PolarHBondContact O-OD1 3.09Å
696	S	75.4	Confident	74.4	Confident	68 Å²	68	83.8 Å²	83.8	48%	0.476	41%	0.409	S	S	.	.	H	α-helix	trans	-65.5	-33.6	176.5	52.1	0	0	0	0	113.3	R694 Q700	R694-S696 PolarHBondContact O-N 3.16Å; S696-Q700 WeakPolarHBondContact O-CB 3.48Å; S696-Q700 WeakPolarHBondContact O-CG 3.26Å; S696-Q700 PolarHBondContact O-N 2.99Å
697	E	76.4	Confident	74.3	Confident	66 Å²	66	81.6 Å²	81.6	31%	0.308	40%	0.397	S	S	.	.	H	α-helix	trans	-70.2	-44.4	174.7	-66.8	158.1	-168.1	0	0	110.7	F692 R693 R694 P695 N699 Q700 H701	F692-E697 HydrophobicContact CB-CB 4.02Å; F692-E697 HydrophobicContact CD1-CB 3.97Å; F692-E697 HydrophobicContact CG-CB 4.32Å; R693-E697 WeakPolarHBondContact CA-OE2 3.29Å; R693-E697 WeakPolarHBondContact CB-OE2 3.08Å; R693-E697 PolarHBondContact N-OE2 3.18Å; R694-E697 HydrophobicContact CB-CB 4.38Å; R694-E697 HydrophobicContact CB-CG 3.96Å; R694-E697 WeakPolarHBondContact CD-OE1 3.5Å; R694-E697 HydrophobicContact CG-CG 4.41Å; R694-E697 VanDerWaalsContact CG-OE1 3.23Å; R694-E697 WeakPolarHBondContact CG-OE1 3.17Å; R694-E697 PolarHBondContact N-OE2 3.2Å; R694-E697 IonicContact NE-OE1 3.11Å; R694-E697 PolarHBondContact NE-OE1 3.22Å; R694-E697 WeakPolarHBondContact O-CB 3.4Å; R694-E697 PolarHBondContact O-N 3.09Å; R694-E697 VanDerWaalsContact O-N 3.12Å; P695-E697 VanDerWaalsContact C-N 3.34Å; P695-E697 PolarHBondContact O-N 3.35Å; E697-N699 PolarHBondContact O-N 3.46Å; E697-Q700 PolarHBondContact O-N 2.93Å; E697-H701 WeakPolarHBondContact O-CB 3.36Å; E697-H701 PolarHBondContact O-N 3.26Å
698	K	81.7	Confident	73.7	Confident	29 Å²	29	83.7 Å²	83.7	13%	0.126	41%	0.409	C	S	.	.	H	α-helix	trans	-55.4	-49.9	171.4	168.5	179	171.2	165.6	0	111	H683 R684 E686 F692 R694 P695 H701 I702	H683-K698 HydrophobicContact CB-CB 4.45Å; H683-K698 HydrophobicContact CB-CD 4.22Å; R684-K698 WeakPolarHBondContact O-CD 3.48Å; R684-K698 WeakPolarHBondContact O-CE 3.5Å; R684-K698 PolarHBondContact O-NZ 2.94Å; E686-K698 IonicContact OE1-NZ 2.64Å; E686-K698 PolarHBondContact OE1-NZ 3.45Å; F692-K698 HydrophobicContact CB-CB 4.12Å; F692-K698 HydrophobicContact CD2-CB 3.95Å; F692-K698 HydrophobicContact CG-CB 4.18Å; R694-K698 PolarHBondContact O-N 3.01Å; P695-K698 PolarHBondContact O-N 2.99Å; K698-H701 WeakPolarHBondContact O-CB 3.4Å; K698-H701 PolarHBondContact O-N 2.78Å; K698-I702 HydrophobicContact CD-CD1 4.44Å; K698-I702 HydrophobicContact CG-CD1 3.77Å; K698-I702 WeakPolarHBondContact O-CG1 3.41Å; K698-I702 PolarHBondContact O-N 3.45Å
699	N	76.7	Confident	72.8	Confident	90 Å²	90	85.1 Å²	85.1	48%	0.481	42%	0.416	S	S	.	.	H	α-helix	trans	-68.2	-40.8	-176.3	-67.7	8.9	0	0	0	111.5	P695 E697 H701 I702 M703	P695-N699 WeakPolarHBondContact O-CB 3.36Å; P695-N699 PolarHBondContact O-N 2.85Å; P695-N699 PolarHBondContact O-OD1 3.09Å; E697-N699 PolarHBondContact O-N 3.46Å; N699-H701 VanDerWaalsContact C-N 3.3Å; N699-H701 PolarHBondContact O-N 3Å; N699-I702 PolarHBondContact O-N 3.47Å; N699-M703 WeakPolarHBondContact O-CB 3.38Å; N699-M703 VanDerWaalsContact O-CG 3.22Å; N699-M703 WeakPolarHBondContact O-CG 3.28Å; N699-M703 PolarHBondContact O-N 3Å
700	Q	81.1	Confident	72.2	Confident	107 Å²	107	84.7 Å²	84.7	50%	0.5	41%	0.41	S	S	.	.	H	α-helix	trans	-64.1	-33.3	172	-78.8	-167.7	23.7	0	0	113.1	S696 E697 R704	S696-Q700 WeakPolarHBondContact O-CB 3.48Å; S696-Q700 WeakPolarHBondContact O-CG 3.26Å; S696-Q700 PolarHBondContact O-N 2.99Å; E697-Q700 PolarHBondContact O-N 2.93Å; Q700-R704 WeakPolarHBondContact O-CB 3.49Å; Q700-R704 VanDerWaalsContact O-CG 3.3Å; Q700-R704 WeakPolarHBondContact O-CG 3.49Å; Q700-R704 PolarHBondContact O-N 3.23Å
701	H	80.9	Confident	71.1	Confident	23 Å²	23	86.7 Å²	86.7	11%	0.106	42%	0.419	C	S	.	.	H	α-helix	trans	-68.2	-46.5	174.7	171.9	68.6	0	0	0	111.5	C688 F692 E697 K698 N699 M703 R704 H705 H706	C688-H701 PolarHBondContact SG-NE2 3.22Å; F692-H701 HydrophobicContact CE1-CB 3.79Å; F692-H701 AromaticContact CE1-CG 3.95Å; F692-H701 HydrophobicContact CE2-CB 4.08Å; F692-H701 AromaticContact CE2-CD2 3.51Å; F692-H701 AromaticContact CE2-CG 3.86Å; F692-H701 HydrophobicContact CZ-CB 3.5Å; F692-H701 AromaticContact CZ-CD2 3.31Å; F692-H701 WeakPolarHBondContact CZ-CD2 3.37Å; F692-H701 AromaticContact CZ-CG 3.23Å; F692-H701 AromaticContact CZ-ND1 3.82Å; F692-H701 AromaticContact CZ-NE2 3.92Å; E697-H701 WeakPolarHBondContact O-CB 3.36Å; E697-H701 PolarHBondContact O-N 3.26Å; K698-H701 WeakPolarHBondContact O-CB 3.4Å; K698-H701 PolarHBondContact O-N 2.78Å; N699-H701 VanDerWaalsContact C-N 3.3Å; N699-H701 PolarHBondContact O-N 3Å; H701-M703 PolarHBondContact O-N 3.4Å; H701-R704 PolarHBondContact O-N 3.39Å; H701-R704 VanDerWaalsContact O-N 3.15Å; H701-H705 AromaticContact CE1-CD2 3.51Å; H701-H705 AromaticContact CE1-CG 3.73Å; H701-H705 AromaticContact ND1-CD2 3.22Å; H701-H705 PolarHBondContact ND1-CD2 3.39Å; H701-H705 AromaticContact ND1-CG 3.89Å; H701-H705 AromaticContact ND1-NE2 3.94Å; H701-H705 PolarHBondContact O-N 3.41Å; H701-H706 AromaticContact NE2-NE2 3.87Å
702	I	78.4	Confident	70	Confident	28 Å²	28	90 Å²	90	14%	0.144	44%	0.443	C	S	.	.	H	α-helix	trans	-56.9	-50	174.7	-70.5	166.7	0	0	0	110.5	K698 N699 R704 H705 H706 K707 V710	K698-I702 HydrophobicContact CD-CD1 4.44Å; K698-I702 HydrophobicContact CG-CD1 3.77Å; K698-I702 WeakPolarHBondContact O-CG1 3.41Å; K698-I702 PolarHBondContact O-N 3.45Å; N699-I702 PolarHBondContact O-N 3.47Å; I702-R704 PolarHBondContact O-N 2.95Å; I702-R704 VanDerWaalsContact O-N 3.12Å; I702-H705 PolarHBondContact O-N 3.38Å; I702-H706 HydrophobicContact CG2-CB 4.45Å; I702-H706 CarbonylContact O-C 3.56Å; I702-H706 WeakPolarHBondContact O-CA 3.48Å; I702-H706 PolarHBondContact O-N 3.36Å; I702-K707 PolarHBondContact O-N 2.88Å; I702-V710 HydrophobicContact CG2-CG2 3.67Å
703	M	75.3	Confident	68.6	Low	114 Å²	114	100.6 Å²	100.6	56%	0.562	49%	0.494	S	S	*	.	H	α-helix	trans	-66.6	-12.1	179.9	-66.6	-66.9	-77.7	0	0	114.7	N699 H701	N699-M703 WeakPolarHBondContact O-CB 3.38Å; N699-M703 VanDerWaalsContact O-CG 3.22Å; N699-M703 WeakPolarHBondContact O-CG 3.28Å; N699-M703 PolarHBondContact O-N 3Å; H701-M703 PolarHBondContact O-N 3.4Å
704	R	76.9	Confident	68.8	Low	172 Å²	172	99.5 Å²	99.5	65%	0.649	50%	0.495	S	S	*	.	H	α-helix	trans	-104.3	-35.3	176.1	-74.4	-179.3	-178.8	121.8	2.3	114.1	Q700 H701 I702	Q700-R704 WeakPolarHBondContact O-CB 3.49Å; Q700-R704 VanDerWaalsContact O-CG 3.3Å; Q700-R704 WeakPolarHBondContact O-CG 3.49Å; Q700-R704 PolarHBondContact O-N 3.23Å; H701-R704 PolarHBondContact O-N 3.39Å; H701-R704 VanDerWaalsContact O-N 3.15Å; I702-R704 PolarHBondContact O-N 2.95Å; I702-R704 VanDerWaalsContact O-N 3.12Å
705	H	71.3	Confident	69	Low	129 Å²	129	96.8 Å²	96.8	60%	0.597	49%	0.491	S	S	*	.	H	α-helix	trans	-112.4	-13.6	-173.3	-70.4	-87.2	0	0	0	114.9	H701 I702	H701-H705 AromaticContact CE1-CD2 3.51Å; H701-H705 AromaticContact CE1-CG 3.73Å; H701-H705 AromaticContact ND1-CD2 3.22Å; H701-H705 PolarHBondContact ND1-CD2 3.39Å; H701-H705 AromaticContact ND1-CG 3.89Å; H701-H705 AromaticContact ND1-NE2 3.94Å; H701-H705 PolarHBondContact O-N 3.41Å; I702-H705 PolarHBondContact O-N 3.38Å
706	H	73.8	Confident	68.7	Low	31 Å²	31	98.4 Å²	98.4	14%	0.144	49%	0.494	C	S	.	.	S	Bend	trans	-130.3	23.7	179.8	-55.4	-55.1	0	0	0	111.6	C685 I687 H701 I702 D708 V709 V710	C685-H706 VanDerWaalsContact SG-CD2 3.6Å; I687-H706 HydrophobicContact CD1-CB 3.57Å; I687-H706 WeakPolarHBondContact CG2-ND1 3.4Å; H701-H706 AromaticContact NE2-NE2 3.87Å; I702-H706 HydrophobicContact CG2-CB 4.45Å; I702-H706 CarbonylContact O-C 3.56Å; I702-H706 WeakPolarHBondContact O-CA 3.48Å; I702-H706 PolarHBondContact O-N 3.36Å; H706-D708 PolarHBondContact O-N 3.44Å; H706-D708 VanDerWaalsContact O-N 3.16Å; H706-V709 PolarHBondContact O-N 3.24Å; H706-V710 PolarHBondContact O-N 2.8Å
707	K	67.1	Low	68.3	Low	119 Å²	119	100.2 Å²	100.2	52%	0.517	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-32.4	-174.9	-169.9	-179.1	178.6	-173.2	0	113.2	I702	I702-K707 PolarHBondContact O-N 2.88Å
708	D	60.5	Low	67.8	Low	129 Å²	129	102.3 Å²	102.3	69%	0.69	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-21.1	-176.6	-44.3	-62.9	0	0	0	112.2	H706	H706-D708 PolarHBondContact O-N 3.44Å; H706-D708 VanDerWaalsContact O-N 3.16Å
709	V	58.5	Low	66.9	Low	84 Å²	84	107.2 Å²	107.2	51%	0.509	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-41.5	171	-175.1	0	0	0	0	110.2	I687 H706 K711 A712	I687-V709 HydrophobicContact CD1-CB 4.44Å; I687-V709 HydrophobicContact CD1-CG1 4.24Å; H706-V709 PolarHBondContact O-N 3.24Å; V709-K711 PolarHBondContact O-N 3.43Å; V709-K711 VanDerWaalsContact O-N 3.1Å; V709-A712 PolarHBondContact O-N 3.11Å
710	V	57.1	Low	66.2	Low	73 Å²	73	108.4 Å²	108.4	44%	0.442	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-0.4	177.9	-179.2	0	0	0	0	112.8	I702 H706	I702-V710 HydrophobicContact CG2-CG2 3.67Å; H706-V710 PolarHBondContact O-N 2.8Å
711	K	52.3	Low	65.1	Low	169 Å²	169	108.5 Å²	108.5	74%	0.735	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	3.7	175.4	-90.4	-167.9	163.6	-155.9	0	114.1	V709	V709-K711 PolarHBondContact O-N 3.43Å; V709-K711 VanDerWaalsContact O-N 3.1Å
712	A	50.7	Low	63.8	Low	88 Å²	88	115.7 Å²	115.7	73%	0.727	57%	0.574	S	S	*	*			trans	-115.7	12.6	-174.8	0	0	0	0	0	113.8	V709	V709-A712 PolarHBondContact O-N 3.11Å
713	E	43.3	Very low	62.4	Low	252 Å²	252	123.6 Å²	123.6	100%	1.178	61%	0.614	S	S	*	*			trans	-116.9	0	168.2	-66.5	-171.1	132.3	0	0	110

Retrieved 713 of 713 residues in 1959.2 ms (Link to these results)

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