A0A096MUC5_PAPAN Loading...

YTH domain-containing family protein

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

AlphaFold DB (Q9Y5A9), UniProt , Accession A0A096MUC5, Species PAPAN (Papio anubis, Olive baboon), Gene YTHDF2, Length 579 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.8	Low	45.5	Very low	230 Å²	230	146.6 Å²	146.6	100%	1.133	81%	0.805	S	S	*	*				0	80.3	0	-56.6	-179.6	-170.5	0	0	105.2
2	S	41.1	Very low	45.1	Very low	123 Å²	123	151.9 Å²	151.9	86%	0.86	81%	0.814	S	S	*	*			cis	74.5	124.7	49.8	-42	0	0	0	0	110.5
3	A	42.3	Very low	45.3	Very low	86 Å²	86	146.2 Å²	146.2	71%	0.711	81%	0.812	S	S	*	*			cis	-158.5	175.8	-1.3	0	0	0	0	0	112.3
4	S	44.8	Very low	45.2	Very low	116 Å²	116	150.4 Å²	150.4	81%	0.811	82%	0.823	S	S	*	*			trans	26.8	152.1	132.2	-58.3	0	0	0	0	121.4
5	S	46.4	Very low	44.7	Very low	102 Å²	102	145.5 Å²	145.5	71%	0.713	82%	0.822	S	S	*	*			cis	-164.6	178.5	-5	49.1	0	0	0	0	106.9
6	L	54.2	Low	44.7	Very low	153 Å²	153	146.6 Å²	146.6	80%	0.801	82%	0.824	S	S	*	*				-165.3	160.1	57	-163.8	72.7	0	0	0	110.8
7	L	38.9	Very low	44.4	Very low	134 Å²	134	148.8 Å²	148.8	70%	0.702	82%	0.823	S	S	*	*			trans	-122.2	127.1	176.9	174.1	75.8	0	0	0	109.1	Q9	L7-Q9 HydrophobicContact CD2-CG 4.37Å; L7-Q9 HydrophobicContact CG-CG 4.39Å
8	E	56.8	Low	44.3	Very low	171 Å²	171	148.3 Å²	148.3	80%	0.799	82%	0.824	S	S	*	*			trans	-108.4	142.6	170	-157.3	76.5	176	0	0	109.6
9	Q	39.7	Very low	44.1	Very low	153 Å²	153	149.4 Å²	149.4	72%	0.715	82%	0.823	S	S	*	*			trans	-139.7	169.4	-178.6	-84.2	-163.5	1.2	0	0	111.8	L7	L7-Q9 HydrophobicContact CD2-CG 4.37Å; L7-Q9 HydrophobicContact CG-CG 4.39Å
10	R	38.7	Very low	43.6	Very low	232 Å²	232	149.6 Å²	149.6	88%	0.875	82%	0.822	S	S	*	*			trans	81.7	161.9	157.2	-144.8	-170.4	175.6	93	0.1	114.2
11	P	47.3	Very low	43.2	Very low	113 Å²	113	146 Å²	146	73%	0.734	82%	0.82	S	S	*	*			cis	-109.1	179.4	-18.2	0.4	23.9	0	0	0	115
12	K	40	Very low	42.5	Very low	210 Å²	210	140.4 Å²	140.4	91%	0.913	80%	0.803	S	S	*	*			trans	-76.1	143.8	167.7	-64.5	174.1	176.5	177.5	0	111.3
13	G	47.4	Very low	42.8	Very low	77 Å²	77	140.5 Å²	140.5	79%	0.794	80%	0.799	S	S	*	*			trans	-119.7	162.5	166.1	0	0	0	0	0	111.7
14	Q	44	Very low	42.8	Very low	205 Å²	205	145 Å²	145	96%	0.958	80%	0.804	S	S	*	*			trans	-66.3	152.3	-172.3	-70.3	150.6	-49	0	0	113.7
15	G	38.4	Very low	42.4	Very low	78 Å²	78	147.5 Å²	147.5	80%	0.804	80%	0.804	S	S	*	*			trans	-104.5	-177.1	173.8	0	0	0	0	0	112.7
16	N	43.8	Very low	42.2	Very low	162 Å²	162	150.7 Å²	150.7	87%	0.866	81%	0.805	S	S	*	*			trans	-133.7	143	177.1	-150.9	3.5	0	0	0	111.4
17	K	39.8	Very low	41.5	Very low	184 Å²	184	150.1 Å²	150.1	80%	0.8	80%	0.802	S	S	*	*			trans	-109.9	123.5	179	-80.9	-172.2	177.4	-176.4	0	110.9
18	V	43.6	Very low	41.6	Very low	140 Å²	140	147 Å²	147	85%	0.848	80%	0.803	S	S	*	*			trans	-150.6	111.7	157.3	-88.1	0	0	0	0	105
19	Q	40.2	Very low	40.9	Very low	169 Å²	169	146.9 Å²	146.9	79%	0.79	81%	0.807	S	S	*	*			cis	73.9	78.5	30	-164.3	158.5	-21.5	0	0	115.2
20	N	32.9	Very low	40.9	Very low	153 Å²	153	146.3 Å²	146.3	82%	0.818	81%	0.809	S	S	*	*			trans	48.6	101.5	133.5	-158.8	34.4	0	0	0	118.2
21	G	37	Very low	41.2	Very low	76 Å²	76	142 Å²	142	78%	0.784	80%	0.803	S	S	*	*			trans	-121.4	95.8	168.8	0	0	0	0	0	111.6
22	S	35.2	Very low	40.9	Very low	111 Å²	111	144.3 Å²	144.3	78%	0.776	81%	0.809	S	S	*	*			trans	-114.2	114.3	159.8	179.9	0	0	0	0	106.6
23	V	47.4	Very low	41.3	Very low	125 Å²	125	141.2 Å²	141.2	76%	0.758	80%	0.803	S	S	*	*			trans	-131.9	101.1	-170.5	-179.9	0	0	0	0	110.6
24	H	43.2	Very low	41.4	Very low	180 Å²	180	146.9 Å²	146.9	83%	0.833	81%	0.806	S	S	*	*			trans	54.1	149.5	142.3	-81.3	-94.2	0	0	0	122.9
25	Q	36.1	Very low	41.6	Very low	170 Å²	170	145.3 Å²	145.3	79%	0.794	80%	0.799	S	S	*	*			trans	-82.7	166.1	-176.4	-57.1	162	-7.7	0	0	112.2
26	K	41.5	Very low	42.1	Very low	169 Å²	169	146.2 Å²	146.2	74%	0.735	79%	0.79	S	S	*	*			trans	97	148	134.2	-115.8	-167.8	169.8	-154.8	0	119.5
27	D	40.3	Very low	42	Very low	140 Å²	140	149.3 Å²	149.3	75%	0.749	79%	0.791	S	S	*	*			trans	62.5	130.3	167.5	-44.8	-33.5	0	0	0	116.1
28	G	39.6	Very low	42.2	Very low	70 Å²	70	148.3 Å²	148.3	72%	0.722	79%	0.794	S	S	*	*			cis	163.1	98.3	-7.9	0	0	0	0	0	113
29	L	43.6	Very low	42.1	Very low	167 Å²	167	146.8 Å²	146.8	87%	0.874	79%	0.79	S	S	*	*			trans	-144.7	130.1	168.9	-62.1	171.6	0	0	0	106.4
30	N	39.2	Very low	42.3	Very low	141 Å²	141	145.3 Å²	145.3	75%	0.754	80%	0.795	S	S	*	*				59.6	130.7	58.7	-87.4	54.8	0	0	0	113
31	D	44.5	Very low	42.7	Very low	142 Å²	142	147.5 Å²	147.5	76%	0.759	80%	0.8	S	S	*	*			cis	-130.7	161.7	16.1	-112.2	-124.7	0	0	0	113
32	D	42.1	Very low	42.9	Very low	161 Å²	161	148.1 Å²	148.1	86%	0.861	80%	0.798	S	S	*	*			trans	-96.2	110.4	174.7	-79.1	-84.5	0	0	0	111.9
33	D	48.4	Very low	43.1	Very low	145 Å²	145	154.7 Å²	154.7	78%	0.775	81%	0.805	S	S	*	*			trans	-160.7	98.2	158.4	-159.1	-68.4	0	0	0	113.2
34	F	48	Very low	42.8	Very low	197 Å²	197	153.8 Å²	153.8	86%	0.864	80%	0.802	S	S	*	*			trans	-176.4	112.7	134.6	-128.7	-111.1	0	0	0	112.1
35	E	49.3	Very low	42.5	Very low	172 Å²	172	152.2 Å²	152.2	80%	0.804	80%	0.8	S	S	*	*			trans	-136.2	162.8	170.4	-104.8	-92.8	109.4	0	0	108.2
36	P	48.5	Very low	42.7	Very low	97 Å²	97	151.7 Å²	151.7	63%	0.63	80%	0.803	S	S	*	*				-122.2	147	-124.4	17.3	6.5	0	0	0	114.6
37	Y	40.9	Very low	42.3	Very low	226 Å²	226	147.8 Å²	147.8	89%	0.886	80%	0.801	S	S	*	*			trans	-91.2	112.1	166	-76	-92.5	0	0	0	110.9
38	L	44.2	Very low	42.2	Very low	164 Å²	164	151.1 Å²	151.1	86%	0.859	81%	0.805	S	S	*	*				177.9	83	123.9	-92.1	167.1	0	0	0	112.8
39	S	42.8	Very low	42.1	Very low	108 Å²	108	153.7 Å²	153.7	76%	0.755	81%	0.807	S	S	*	*			trans	34.5	107.1	141.2	-53	0	0	0	0	120.9
40	P	44.4	Very low	41.7	Very low	138 Å²	138	150.4 Å²	150.4	90%	0.896	80%	0.804	S	S	*	*			trans	-82.9	130.4	158.5	32.9	-30.9	0	0	0	111.5
41	Q	40.8	Very low	41.8	Very low	199 Å²	199	152.7 Å²	152.7	93%	0.93	81%	0.812	S	S	*	*			trans	-109.2	125	174.8	-169	170	-4.7	0	0	111
42	A	40.4	Very low	41.5	Very low	89 Å²	89	150.4 Å²	150.4	74%	0.736	81%	0.808	S	S	*	*			trans	-89.9	151.4	-167.7	0	0	0	0	0	114.8
43	R	39.4	Very low	41.4	Very low	248 Å²	248	148.9 Å²	148.9	94%	0.936	80%	0.799	S	S	*	*			trans	-163.6	154.6	136.7	-105.6	157.8	-168.9	-155.5	0.6	111.9
44	P	41.2	Very low	41.1	Very low	106 Å²	106	146 Å²	146	69%	0.688	79%	0.791	S	S	*	*			trans	-111.5	174.5	-163.2	42.1	-34.9	0	0	0	115.3
45	N	36.6	Very low	40.7	Very low	148 Å²	148	146.8 Å²	146.8	79%	0.791	79%	0.789	S	S	*	*			trans	54.7	117.3	156.9	-66.5	1.8	0	0	0	119.7
46	N	40.5	Very low	40.6	Very low	159 Å²	159	145.9 Å²	145.9	85%	0.85	79%	0.789	S	S	*	*				-159.1	147.8	103.4	-117.1	-8.2	0	0	0	112.2
47	A	33.5	Very low	40.3	Very low	86 Å²	86	147 Å²	147	71%	0.711	80%	0.796	S	S	*	*			trans	-146.5	115	172.9	0	0	0	0	0	109.6
48	Y	37.8	Very low	40.3	Very low	210 Å²	210	141.1 Å²	141.1	82%	0.824	79%	0.789	S	S	*	*			trans	-149	128.8	172.6	-97.3	-73.1	0	0	0	112.4
49	T	38.8	Very low	40.1	Very low	125 Å²	125	142.9 Å²	142.9	77%	0.767	79%	0.785	S	S	*	*			trans	35.4	122.6	148.7	49.7	0	0	0	0	120.6
50	A	35	Very low	40	Very low	97 Å²	97	147.9 Å²	147.9	80%	0.802	79%	0.789	S	S	*	*			trans	-73.3	148.5	153.3	0	0	0	0	0	111.7
51	M	40.3	Very low	39.5	Very low	189 Å²	189	146.9 Å²	146.9	93%	0.931	79%	0.785	S	S	*	*			trans	-148.9	170.2	148.2	-80.6	-143.7	171.3	0	0	109.3
52	S	38.4	Very low	39.7	Very low	95 Å²	95	142.5 Å²	142.5	66%	0.664	77%	0.774	S	S	*	*			trans	-63.3	155.6	176.3	55.2	0	0	0	0	111.2
53	D	40.5	Very low	39.7	Very low	129 Å²	129	144 Å²	144	69%	0.69	78%	0.78	S	S	*	*				-167.4	154.2	66.4	-116.9	-67.5	0	0	0	117.3
54	S	41.1	Very low	40	Very low	85 Å²	85	139.1 Å²	139.1	59%	0.594	77%	0.77	S	S	*	*			trans	36	126.2	135.2	-68.3	0	0	0	0	124.4
55	Y	39.8	Very low	39.8	Very low	212 Å²	212	137.2 Å²	137.2	83%	0.831	77%	0.77	S	S	*	*				95.3	143.8	128.7	-92	-116	0	0	0	122.9
56	L	47.2	Very low	39.9	Very low	153 Å²	153	138.1 Å²	138.1	80%	0.801	77%	0.767	S	S	*	*			trans	67.4	107.5	167.4	-60	-179	0	0	0	119.8
57	P	42.6	Very low	39.7	Very low	120 Å²	120	136.2 Å²	136.2	78%	0.779	77%	0.767	S	S	*	*			trans	-91.8	130.4	163.8	34.6	-29.3	0	0	0	111.7
58	S	40	Very low	39.8	Very low	104 Å²	104	142 Å²	142	73%	0.727	77%	0.771	S	S	*	*			trans	-163.2	135.2	171.9	-95.9	0	0	0	0	115.7
59	Y	40.7	Very low	39.7	Very low	200 Å²	200	137.6 Å²	137.6	78%	0.784	77%	0.771	S	S	*	*			trans	65.2	118.8	153.9	-74.6	-112.9	0	0	0	120.1
60	Y	40.1	Very low	39.8	Very low	213 Å²	213	139.9 Å²	139.9	84%	0.835	78%	0.778	S	S	*	*			trans	39.8	102.6	151.2	-63.5	-97.4	0	0	0	119.8
61	S	35.7	Very low	39.9	Very low	117 Å²	117	138 Å²	138	82%	0.818	77%	0.768	S	S	*	*			trans	-87.3	129.8	149.6	-173.3	0	0	0	0	109.7
62	P	45	Very low	39.6	Very low	107 Å²	107	136.4 Å²	136.4	70%	0.695	76%	0.758	S	S	*	*			trans	-79.3	166.7	-173.5	31.9	-36.2	0	0	0	113.8	I64	P62-I64 PolarHBondContact O-N 3.24Å
63	S	38.9	Very low	39.4	Very low	122 Å²	122	135.8 Å²	135.8	85%	0.853	76%	0.759	S	S	*	*			trans	-62.7	111.4	178.7	43	0	0	0	0	113.3	G65	S63-G65 PolarHBondContact O-N 3.2Å
64	I	45.5	Very low	39.2	Very low	144 Å²	144	134.4 Å²	134.4	74%	0.738	77%	0.765	S	S	*	*			trans	-74.3	104.7	161.5	-66.4	172.9	0	0	0	108	P62 F66	P62-I64 PolarHBondContact O-N 3.24Å; I64-F66 HydrophobicContact CG2-CE2 4.13Å; I64-F66 PolarHBondContact O-N 3.45Å
65	G	37	Very low	39.4	Very low	66 Å²	66	140.1 Å²	140.1	68%	0.68	77%	0.774	S	S	*	*			trans	-77.8	114.1	178.7	0	0	0	0	0	112	S63 S67	S63-G65 PolarHBondContact O-N 3.2Å; G65-S67 PolarHBondContact O-N 3.45Å
66	F	40	Very low	39.3	Very low	167 Å²	167	135.1 Å²	135.1	73%	0.732	77%	0.77	S	S	*	*			trans	-85.3	103.1	165	-78.3	-82	0	0	0	110	I64 Y68	I64-F66 HydrophobicContact CG2-CE2 4.13Å; I64-F66 PolarHBondContact O-N 3.45Å; F66-Y68 VanDerWaalsContact C-N 3.33Å; F66-Y68 HydrophobicContact CB-CD2 4.27Å; F66-Y68 HydrophobicContact CB-CE2 4.45Å; F66-Y68 PolarHBondContact O-N 3.11Å
67	S	34.9	Very low	38.7	Very low	120 Å²	120	134.8 Å²	134.8	84%	0.839	78%	0.775	S	S	*	*			trans	-71	84.6	172.8	-63	0	0	0	0	111.4	G65	G65-S67 PolarHBondContact O-N 3.45Å
68	Y	37.2	Very low	38.5	Very low	207 Å²	207	132.9 Å²	132.9	81%	0.812	78%	0.777	S	S	*	*			trans	-93.3	102.6	158.5	-81.3	-77.3	0	0	0	108.8	F66 L70	F66-Y68 VanDerWaalsContact C-N 3.33Å; F66-Y68 HydrophobicContact CB-CD2 4.27Å; F66-Y68 HydrophobicContact CB-CE2 4.45Å; F66-Y68 PolarHBondContact O-N 3.11Å; Y68-L70 PolarHBondContact O-N 2.93Å; Y68-L70 VanDerWaalsContact O-N 3.11Å
69	S	35	Very low	38.2	Very low	118 Å²	118	131.5 Å²	131.5	83%	0.825	78%	0.779	S	S	*	*			trans	-58.5	114.2	172.1	-60.4	0	0	0	0	109.8	G71	S69-G71 PolarHBondContact O-N 2.89Å
70	L	40.7	Very low	38.1	Very low	173 Å²	173	129.3 Å²	129.3	91%	0.906	78%	0.781	S	S	*	*			trans	-74.6	73.6	166.9	-173.8	67.9	0	0	0	108.3	Y68	Y68-L70 PolarHBondContact O-N 2.93Å; Y68-L70 VanDerWaalsContact O-N 3.11Å
71	G	36.6	Very low	38	Very low	58 Å²	58	124.7 Å²	124.7	60%	0.598	78%	0.775	S	S	*	*			trans	-62.7	138.4	176.3	0	0	0	0	0	111.1	S69 A73	S69-G71 PolarHBondContact O-N 2.89Å; G71-A73 PolarHBondContact O-N 3.26Å
72	E	34	Very low	38	Very low	154 Å²	154	123.7 Å²	123.7	72%	0.72	77%	0.773	S	S	*	*			trans	-66.3	116.3	-175	-67.9	165.2	107.9	0	0	111.8
73	A	34.4	Very low	38	Very low	83 Å²	83	126.8 Å²	126.8	69%	0.686	78%	0.781	S	S	*	*			trans	-101.5	56.4	171.9	0	0	0	0	0	111	G71 W75	G71-A73 PolarHBondContact O-N 3.26Å; A73-W75 PolarHBondContact O-N 3.24Å
74	A	37.4	Very low	38	Very low	99 Å²	99	125.2 Å²	125.2	82%	0.818	77%	0.768	S	S	*	*			trans	-86.3	52.5	174.3	0	0	0	0	0	111.7
75	W	44.8	Very low	37.8	Very low	206 Å²	206	128.8 Å²	128.8	78%	0.78	77%	0.773	S	S	*	*			trans	-162.5	146.5	-178.9	53.5	-85.9	0	0	0	109.7	A73	A73-W75 PolarHBondContact O-N 3.24Å
76	S	36.6	Very low	37.9	Very low	106 Å²	106	133.6 Å²	133.6	74%	0.741	78%	0.783	S	S	*	*			cis	-149.6	149.3	-16.8	-174.3	0	0	0	0	108.7	G78	S76-G78 PolarHBondContact O-N 3.37Å
77	T	36.3	Very low	37.7	Very low	147 Å²	147	131.2 Å²	131.2	90%	0.902	78%	0.782	S	S	*	*			trans	-78.5	108.6	168	46.6	0	0	0	0	109.7
78	G	38	Very low	37.6	Very low	80 Å²	80	130.2 Å²	130.2	83%	0.825	78%	0.775	S	S	*	*			trans	-171.1	120.3	174.8	0	0	0	0	0	113	S76	S76-G78 PolarHBondContact O-N 3.37Å
79	G	34.1	Very low	37.7	Very low	74 Å²	74	131.4 Å²	131.4	76%	0.763	78%	0.78	S	S	*	*			trans	149	114.2	178.8	0	0	0	0	0	111.1
80	D	37.4	Very low	37.8	Very low	155 Å²	155	129 Å²	129	83%	0.829	77%	0.774	S	S	*	*	S	Bend	trans	61	133.6	-177.2	-91.4	-48.5	0	0	0	117.4
81	T	38.9	Very low	37.6	Very low	116 Å²	116	129.4 Å²	129.4	71%	0.712	77%	0.771	S	S	*	*			cis	-142.3	143.7	-10.3	-44.7	0	0	0	0	108.3
82	A	35.8	Very low	37.9	Very low	95 Å²	95	134.7 Å²	134.7	79%	0.785	79%	0.785	S	S	*	*			trans	-80.3	128.3	179.4	0	0	0	0	0	112.3
83	M	43.2	Very low	37.7	Very low	172 Å²	172	131.6 Å²	131.6	85%	0.847	78%	0.78	S	S	*	*			trans	-131	114.9	169.1	-75.9	-72.3	-79.8	0	0	109.2
84	P	40.3	Very low	38	Very low	90 Å²	90	135.2 Å²	135.2	58%	0.584	79%	0.788	S	S	*	*			trans	-84.1	179.1	171.3	34.4	-33.2	0	0	0	111.8
85	Y	41	Very low	37.9	Very low	218 Å²	218	134.2 Å²	134.2	86%	0.855	79%	0.787	S	S	*	*			trans	71.4	136.8	-174.2	-44.9	-74.2	0	0	0	113
86	L	39.9	Very low	37.5	Very low	168 Å²	168	133.1 Å²	133.1	88%	0.88	79%	0.791	S	S	*	*			cis	-132.4	179.7	13.9	-123.9	166.2	0	0	0	112.2
87	T	35.7	Very low	37.8	Very low	116 Å²	116	132.7 Å²	132.7	71%	0.712	79%	0.785	S	S	*	*			trans	-88	159.7	-163.7	-170.5	0	0	0	0	115.7
88	S	32.5	Very low	38.1	Very low	100 Å²	100	134.4 Å²	134.4	70%	0.699	78%	0.783	S	S	*	*			trans	-63.5	137.8	162.5	178.8	0	0	0	0	112.5
89	Y	39.6	Very low	38.1	Very low	232 Å²	232	140.1 Å²	140.1	91%	0.91	79%	0.785	S	S	*	*			trans	178.4	142.1	145.2	-94.6	-67.6	0	0	0	106.7
90	G	37.2	Very low	38.3	Very low	68 Å²	68	144.1 Å²	144.1	70%	0.701	79%	0.788	S	S	*	*			cis	-168.4	159.8	-7.9	0	0	0	0	0	109.3
91	Q	36.2	Very low	38.6	Very low	180 Å²	180	142.4 Å²	142.4	84%	0.841	79%	0.786	S	S	*	*			trans	-85.4	124	-179.2	-169.2	-122.3	-29.7	0	0	110.9
92	L	41.5	Very low	38.4	Very low	170 Å²	170	143.3 Å²	143.3	89%	0.89	79%	0.786	S	S	*	*			trans	-135.3	150	167.2	-76.6	177.3	0	0	0	111.3
93	S	31.9	Very low	38.8	Very low	89 Å²	89	143 Å²	143	62%	0.622	78%	0.783	S	S	*	*			trans	-96.1	173.7	-178.1	175.6	0	0	0	0	111.3
94	N	38.9	Very low	38.9	Very low	158 Å²	158	142.1 Å²	142.1	85%	0.845	78%	0.779	S	S	*	*			trans	88.1	125.8	169.8	-43.6	-12.8	0	0	0	113.8
95	G	37	Very low	39.1	Very low	78 Å²	78	148 Å²	148	80%	0.804	80%	0.796	S	S	*	*			cis	151.4	124.3	-11.3	0	0	0	0	0	112.5
96	E	35.6	Very low	39	Very low	183 Å²	183	140.7 Å²	140.7	86%	0.855	79%	0.786	S	S	*	*			trans	-150.8	133.8	175.8	-161	161.8	-167.3	0	0	110.6
97	P	42.3	Very low	39.1	Very low	97 Å²	97	142.1 Å²	142.1	63%	0.63	79%	0.789	S	S	*	*			trans	-110.4	138.7	-171.2	37.9	-30.8	0	0	0	114.6
98	H	42.6	Very low	39.6	Very low	184 Å²	184	142.4 Å²	142.4	85%	0.852	79%	0.792	S	S	*	*			trans	-128.6	153.9	163.8	-72.8	-25.1	0	0	0	111.5
99	F	39.7	Very low	40	Very low	200 Å²	200	141.3 Å²	141.3	88%	0.877	80%	0.797	S	S	*	*			trans	-97.4	154.9	-150.4	-87.4	-113.5	0	0	0	116.1
100	L	37.3	Very low	40	Very low	158 Å²	158	134.4 Å²	134.4	83%	0.827	79%	0.788	S	S	*	*			trans	-64.8	173.2	162.9	-77.7	173	0	0	0	111.8
101	P	43.7	Very low	40.1	Very low	119 Å²	119	140 Å²	140	77%	0.773	80%	0.801	S	S	*	*			cis	-147	175.2	31.1	43.7	-23.2	0	0	0	120.2
102	D	35.5	Very low	40.3	Very low	135 Å²	135	135.4 Å²	135.4	72%	0.722	80%	0.802	S	S	*	*			trans	-78.7	152.5	162.3	173.3	29.4	0	0	0	111.6
103	A	44.5	Very low	39.9	Very low	87 Å²	87	132.5 Å²	132.5	72%	0.719	80%	0.796	S	S	*	*			trans	-156.7	53	-176	0	0	0	0	0	115.2
104	M	43.6	Very low	40.2	Very low	154 Å²	154	135.3 Å²	135.3	76%	0.759	81%	0.809	S	S	*	*			trans	5.9	117.8	147.5	51.3	176.7	65.4	0	0	121.4
105	F	44.4	Very low	40.6	Very low	215 Å²	215	133.1 Å²	133.1	94%	0.943	80%	0.804	S	S	*	*			trans	-160.2	145.7	150.2	-114.2	-91.7	0	0	0	106.1
106	G	40.4	Very low	40.7	Very low	63 Å²	63	138.2 Å²	138.2	65%	0.649	80%	0.804	S	S	*	*			cis	98.8	119.1	28.9	0	0	0	0	0	109.3
107	Q	41.2	Very low	40.8	Very low	199 Å²	199	137.1 Å²	137.1	93%	0.93	80%	0.803	S	S	*	*			cis	-152.7	176.9	8.3	-122.6	-156.2	-44.3	0	0	110.9
108	P	46.9	Very low	40.6	Very low	121 Å²	121	135.5 Å²	135.5	79%	0.786	80%	0.804	S	S	*	*			trans	-117.6	172.6	-168.2	43.2	-35.8	0	0	0	117.9
109	G	40.2	Very low	40.4	Very low	77 Å²	77	135.4 Å²	135.4	79%	0.794	80%	0.804	S	S	*	*			trans	145.9	166.2	153.2	0	0	0	0	0	114.7
110	A	40.1	Very low	40.2	Very low	88 Å²	88	134 Å²	134	73%	0.727	80%	0.8	S	S	*	*			cis	-176.9	166.1	-27.8	0	0	0	0	0	109.3
111	L	39.8	Very low	40.2	Very low	185 Å²	185	129.9 Å²	129.9	97%	0.969	80%	0.796	S	S	*	*			trans	75.7	145.3	167.6	-47	177.2	0	0	0	118.7
112	G	39.5	Very low	39.9	Very low	84 Å²	84	134 Å²	134	87%	0.866	80%	0.802	S	S	*	*			trans	136.1	66.1	164.5	0	0	0	0	0	117.6
113	S	32.8	Very low	40	Very low	109 Å²	109	135.2 Å²	135.2	76%	0.762	81%	0.808	S	S	*	*			trans	-125	126.3	-177.6	58.3	0	0	0	0	114.6
114	T	38.9	Very low	39.9	Very low	148 Å²	148	140.3 Å²	140.3	91%	0.908	81%	0.814	S	S	*	*			trans	-172	147.5	146.8	21	0	0	0	0	112.4
115	P	46.1	Very low	39.9	Very low	112 Å²	112	141.5 Å²	141.5	73%	0.727	82%	0.816	S	S	*	*			trans	-119.7	159.7	177.1	40.8	-30.8	0	0	0	115.1
116	F	39.1	Very low	39.7	Very low	185 Å²	185	137.6 Å²	137.6	81%	0.811	81%	0.812	S	S	*	*			trans	-177	159.3	134	-124.9	-124.3	0	0	0	113.6
117	L	38.4	Very low	39.4	Very low	159 Å²	159	140.3 Å²	140.3	83%	0.832	82%	0.821	S	S	*	*			trans	58.1	132	167.2	-67.8	149.6	0	0	0	118.1
118	G	37.2	Very low	39.2	Very low	64 Å²	64	133.8 Å²	133.8	66%	0.66	81%	0.808	S	S	*	*			cis	116.5	99.3	-11.1	0	0	0	0	0	115.3
119	Q	38.4	Very low	38.8	Very low	182 Å²	182	135.5 Å²	135.5	85%	0.85	81%	0.808	S	S	*	*			trans	-153.7	166.4	153.5	-100.1	-148.7	-42.9	0	0	112.1
120	H	37.2	Very low	38.7	Very low	171 Å²	171	139 Å²	139	79%	0.792	81%	0.809	S	S	*	*			trans	-95.6	148.6	-150.5	-39.1	-82.5	0	0	0	114.6
121	G	37.3	Very low	38.5	Very low	71 Å²	71	144.4 Å²	144.4	73%	0.732	82%	0.816	S	S	*	*			trans	-147.4	127.2	164.1	0	0	0	0	0	109.6
122	F	37.2	Very low	38.8	Very low	206 Å²	206	140 Å²	140	90%	0.904	80%	0.801	S	S	*	*			trans	-74.3	135.8	-172.2	-67.2	-94.8	0	0	0	112.2
123	N	36.3	Very low	38.5	Very low	159 Å²	159	141 Å²	141	85%	0.85	80%	0.801	S	S	*	*			trans	-149.3	138.8	162.1	-123.7	-19.3	0	0	0	109.9
124	F	43.2	Very low	38.9	Very low	194 Å²	194	148 Å²	148	85%	0.851	81%	0.811	S	S	*	*			trans	-118.9	53.2	-159.3	-145.9	-85.1	0	0	0	112.9
125	F	43.6	Very low	38.8	Very low	179 Å²	179	144.5 Å²	144.5	79%	0.785	80%	0.804	S	S	*	*			trans	-139.6	138.6	177.1	-70.8	-75.4	0	0	0	112.4	S127	F125-S127 PolarHBondContact O-N 3.37Å
126	P	41	Very low	38.2	Very low	134 Å²	134	146.3 Å²	146.3	87%	0.87	81%	0.808	S	S	*	*			trans	-81.7	92.5	174	32.8	-33.2	0	0	0	111.1
127	S	34.4	Very low	38.1	Very low	119 Å²	119	145.2 Å²	145.2	83%	0.832	81%	0.811	S	S	*	*			trans	-98.1	119.9	166.6	56	0	0	0	0	110.3	F125	F125-S127 PolarHBondContact O-N 3.37Å
128	G	36.5	Very low	37.9	Very low	63 Å²	63	142 Å²	142	65%	0.649	80%	0.801	S	S	*	*			trans	152.7	80	173.8	0	0	0	0	0	114.7
129	I	37.3	Very low	38	Very low	157 Å²	157	144.2 Å²	144.2	81%	0.805	81%	0.806	S	S	*	*			trans	-131.5	73.9	154.9	-54	-178.8	0	0	0	107.2	F131	I129-F131 HydrophobicContact CG2-CD2 4.4Å; I129-F131 PolarHBondContact O-N 2.95Å
130	D	39.7	Very low	38	Very low	151 Å²	151	144.9 Å²	144.9	81%	0.807	81%	0.81	S	S	*	*			trans	-78.3	100.3	170	-71.8	-64.4	0	0	0	109.3	S132	D130-S132 PolarHBondContact O-N 3.18Å
131	F	34	Very low	37.9	Very low	200 Å²	200	140.1 Å²	140.1	88%	0.877	81%	0.806	S	S	*	*			trans	-78.1	93	179.5	-138.4	-78.6	0	0	0	110.2	I129	I129-F131 HydrophobicContact CG2-CD2 4.4Å; I129-F131 PolarHBondContact O-N 2.95Å
132	S	46	Very low	37.9	Very low	94 Å²	94	146 Å²	146	66%	0.657	82%	0.815	S	S	*	*			trans	-65	140.6	177.2	-68.3	0	0	0	0	111.5	D130 W134	D130-S132 PolarHBondContact O-N 3.18Å; S132-W134 PolarHBondContact O-N 3.38Å
133	A	34.3	Very low	38	Very low	103 Å²	103	141.5 Å²	141.5	85%	0.851	81%	0.809	S	S	*	*			trans	-70.3	129.8	178.2	0	0	0	0	0	111.1
134	W	40.4	Very low	38.1	Very low	256 Å²	256	139.3 Å²	139.3	97%	0.97	80%	0.802	S	S	*	*			trans	-94.1	114	166.2	-82.3	-4.6	0	0	0	110.2	S132	S132-W134 PolarHBondContact O-N 3.38Å
135	G	37.3	Very low	37.9	Very low	75 Å²	75	138.5 Å²	138.5	77%	0.773	80%	0.801	S	S	*	*			trans	-71	145	172.7	0	0	0	0	0	111.6	N137	G135-N137 PolarHBondContact O-N 3.02Å
136	N	34.1	Very low	37.6	Very low	150 Å²	150	134.5 Å²	134.5	80%	0.802	80%	0.795	S	S	*	*			trans	-73.9	121.1	175.7	177.2	32.3	0	0	0	110.8
137	N	36	Very low	37.4	Very low	163 Å²	163	134 Å²	134	87%	0.872	79%	0.794	S	S	*	*			trans	-152.1	141.4	156.5	-146.3	20.1	0	0	0	110.3	G135	G135-N137 PolarHBondContact O-N 3.02Å
138	S	34.5	Very low	37.5	Very low	91 Å²	91	131.7 Å²	131.7	64%	0.636	79%	0.79	S	S	*	*			trans	-149.9	168.7	-170.4	62	0	0	0	0	114.1
139	S	38.7	Very low	37.5	Very low	110 Å²	110	140.6 Å²	140.6	77%	0.769	81%	0.805	S	S	*	*			trans	86.7	151.8	172.5	82.9	0	0	0	0	118.6
140	Q	38.9	Very low	37.2	Very low	197 Å²	197	137.9 Å²	137.9	92%	0.921	80%	0.801	S	S	*	*			trans	65.3	130.3	-175.4	-55.8	-170.5	-2	0	0	117.2
141	G	35.7	Very low	37.3	Very low	70 Å²	70	136.1 Å²	136.1	72%	0.722	80%	0.8	S	S	*	*			cis	169.4	135	-14.1	0	0	0	0	0	117.2
142	Q	36.9	Very low	37.3	Very low	195 Å²	195	133.9 Å²	133.9	91%	0.911	80%	0.797	S	S	*	*			trans	76.7	154.5	154.3	-55.8	-168.2	5.3	0	0	122.3
143	S	38.7	Very low	37.3	Very low	111 Å²	111	140.3 Å²	140.3	78%	0.776	81%	0.809	S	S	*	*			trans	75.4	139.1	163.6	77.2	0	0	0	0	118.9
144	T	39.1	Very low	37.4	Very low	114 Å²	114	139.3 Å²	139.3	70%	0.699	80%	0.8	S	S	*	*			cis	-167.1	144	-34.9	6.5	0	0	0	0	110
145	Q	39.7	Very low	37	Very low	177 Å²	177	137.7 Å²	137.7	83%	0.827	80%	0.795	S	S	*	*			trans	62.8	162.3	156.2	-62.5	170.7	42	0	0	117.3
146	S	36.1	Very low	37.1	Very low	95 Å²	95	139 Å²	139	66%	0.664	80%	0.799	S	S	*	*			cis	-165	136.9	-32.7	53.1	0	0	0	0	110.7
147	S	37.3	Very low	37.6	Very low	122 Å²	122	136.6 Å²	136.6	85%	0.853	79%	0.792	S	S	*	*			trans	37.3	122.1	152.4	59.4	0	0	0	0	121.8
148	G	36	Very low	37.8	Very low	72 Å²	72	134.2 Å²	134.2	74%	0.742	79%	0.788	S	S	*	*			trans	179	104.5	160.7	0	0	0	0	0	119.2
149	Y	36.8	Very low	38.2	Very low	249 Å²	249	135 Å²	135	98%	0.976	79%	0.794	S	S	*	*			trans	63.9	166	148.6	-83.2	-91	0	0	0	122.3
150	S	31.5	Very low	38.4	Very low	101 Å²	101	138.3 Å²	138.3	71%	0.706	80%	0.801	S	S	*	*			trans	-131.2	147.1	-170.8	169.1	0	0	0	0	110.4
151	S	41.1	Very low	38.3	Very low	113 Å²	113	132.3 Å²	132.3	79%	0.79	79%	0.792	S	S	*	*			trans	-167.3	151.8	159.2	-84.3	0	0	0	0	113.2
152	N	34.6	Very low	38.1	Very low	154 Å²	154	133.1 Å²	133.1	82%	0.824	80%	0.801	S	S	*	*			trans	-89.6	137.6	176	-73.9	-17.2	0	0	0	112.1
153	Y	44.9	Very low	38.2	Very low	229 Å²	229	128.8 Å²	128.8	90%	0.898	80%	0.799	S	S	*	*			trans	-144.3	128.1	144.5	-74.7	-82.5	0	0	0	106.9
154	A	37.1	Very low	38.1	Very low	81 Å²	81	132.4 Å²	132.4	67%	0.669	81%	0.806	S	S	*	*			cis	99.2	94.7	31.8	0	0	0	0	0	113.6
155	Y	32.3	Very low	38.4	Very low	222 Å²	222	135.4 Å²	135.4	87%	0.871	82%	0.815	S	S	*	*			trans	46.8	135.7	151.9	-77.8	-78.6	0	0	0	123.2	P157	Y155-P157 HydrophobicContact CD1-CG 4.06Å
156	A	39.9	Very low	38.3	Very low	104 Å²	104	134.1 Å²	134.1	86%	0.86	81%	0.814	S	S	*	*			trans	-148.5	110.1	144.4	0	0	0	0	0	111.5
157	P	43.9	Very low	38.7	Very low	99 Å²	99	132.8 Å²	132.8	64%	0.643	82%	0.815	S	S	*	*			trans	-136.1	118	167.1	36.1	-19.3	0	0	0	114.1	Y155	Y155-P157 HydrophobicContact CD1-CG 4.06Å
158	S	40.8	Very low	38.7	Very low	113 Å²	113	135.1 Å²	135.1	79%	0.79	81%	0.813	S	S	*	*			trans	-151.8	128.1	161.4	-68.7	0	0	0	0	107.6
159	S	41.5	Very low	38.8	Very low	108 Å²	108	137.4 Å²	137.4	76%	0.755	82%	0.817	S	S	*	*			cis	80	104.7	44.3	82.8	0	0	0	0	114.1
160	L	43	Very low	38.8	Very low	178 Å²	178	128.7 Å²	128.7	93%	0.932	80%	0.797	S	S	*	*			trans	-150.3	125.2	150.9	-154	74.1	0	0	0	109.4
161	G	37.1	Very low	39.2	Very low	71 Å²	71	133.9 Å²	133.9	73%	0.732	81%	0.807	S	S	*	*			trans	-88.3	162.4	170.8	0	0	0	0	0	111.3
162	G	31.1	Very low	39.1	Very low	87 Å²	87	133.1 Å²	133.1	90%	0.897	81%	0.808	S	S	*	*			trans	-81.1	166.2	-178.9	0	0	0	0	0	114.5
163	A	39.8	Very low	39	Very low	105 Å²	105	133 Å²	133	87%	0.868	81%	0.807	S	S	*	*			trans	-135.8	147.1	161.6	0	0	0	0	0	108.7
164	M	37.3	Very low	38.8	Very low	187 Å²	187	131.3 Å²	131.3	92%	0.921	81%	0.807	S	S	*	*			trans	-87	152.2	176.2	-63	176.4	-77.9	0	0	110.6
165	I	44.2	Very low	38.6	Very low	176 Å²	176	133.1 Å²	133.1	90%	0.903	81%	0.81	S	S	*	*			trans	-157.1	146.3	147.4	-108.2	154	0	0	0	109.6
166	D	38.8	Very low	39	Very low	150 Å²	150	130.8 Å²	130.8	80%	0.802	81%	0.812	S	S	*	*			trans	-99.7	164.3	-177.9	-179.9	23.4	0	0	0	110.5
167	G	43.3	Very low	38.9	Very low	67 Å²	67	133 Å²	133	69%	0.691	81%	0.809	S	S	*	*			trans	158.4	67.9	176.4	0	0	0	0	0	118.5
168	Q	38.2	Very low	38.7	Very low	171 Å²	171	137.6 Å²	137.6	80%	0.799	82%	0.819	S	S	*	*			trans	14.8	152.9	144.9	-63.8	-178.4	-23.9	0	0	123.4
169	S	38.3	Very low	38.5	Very low	120 Å²	120	136.5 Å²	136.5	84%	0.839	82%	0.817	S	S	*	*			trans	81.9	145.8	152.7	81.2	0	0	0	0	118.3
170	A	36.8	Very low	38.4	Very low	66 Å²	66	137.8 Å²	137.8	55%	0.545	82%	0.823	S	S	.	*			cis	-165.6	175.8	-18	0	0	0	0	0	110.6
171	F	39	Very low	38.5	Very low	210 Å²	210	132.7 Å²	132.7	92%	0.921	81%	0.814	S	S	*	*			trans	70.8	149.3	169.7	-48.1	-74.1	0	0	0	116.5
172	A	39.7	Very low	38.7	Very low	98 Å²	98	137.3 Å²	137.3	81%	0.81	82%	0.818	S	S	*	*			cis	-155.1	161.3	-25	0	0	0	0	0	108.7
173	N	32.4	Very low	39.2	Very low	150 Å²	150	139.4 Å²	139.4	80%	0.802	81%	0.809	S	S	*	*			trans	-109.2	125.9	-177.1	-164.7	27.9	0	0	0	109.7
174	E	40.4	Very low	39.1	Very low	194 Å²	194	140.4 Å²	140.4	91%	0.907	80%	0.804	S	S	*	*			trans	-141.3	138	162.3	-82.7	-140.6	140.4	0	0	111.9
175	T	33.4	Very low	39.3	Very low	119 Å²	119	139.7 Å²	139.7	73%	0.73	80%	0.802	S	S	*	*			trans	-116.8	125.2	174.6	52.8	0	0	0	0	109.4
176	L	39.3	Very low	39.1	Very low	173 Å²	173	138.4 Å²	138.4	91%	0.906	80%	0.797	S	S	*	*			trans	-145.1	157.8	163.8	-141.9	74.9	0	0	0	112.9
177	N	39.6	Very low	39.1	Very low	150 Å²	150	140.3 Å²	140.3	80%	0.802	80%	0.801	S	S	*	*			trans	-95.8	170.6	-172.4	-74	-87	0	0	0	112.7
178	K	38.2	Very low	39.1	Very low	196 Å²	196	140.7 Å²	140.7	85%	0.852	81%	0.805	S	S	*	*			trans	95.4	101.7	138.5	-149.7	175.5	-171.6	-178.7	0	118.1
179	A	36.4	Very low	39.3	Very low	90 Å²	90	141.5 Å²	141.5	74%	0.744	81%	0.811	S	S	*	*				33.8	153	122.9	0	0	0	0	0	121
180	P	41	Very low	39.4	Very low	136 Å²	136	140.4 Å²	140.4	88%	0.883	81%	0.809	S	S	*	*			cis	-146.3	177.1	29.9	42.4	-22.4	0	0	0	118.7
181	G	43.8	Very low	39.3	Very low	71 Å²	71	141.8 Å²	141.8	73%	0.732	82%	0.821	S	S	*	*			trans	157.7	96.2	167.3	0	0	0	0	0	111.9
182	M	42.1	Very low	39.4	Very low	168 Å²	168	140.5 Å²	140.5	83%	0.828	82%	0.823	S	S	*	*				79.9	119.5	67.1	-169.1	114.8	75.4	0	0	113.1
183	N	40.3	Very low	39.3	Very low	130 Å²	130	144.6 Å²	144.6	70%	0.695	82%	0.822	S	S	*	*			cis	-159.2	157.7	-15.3	-104.9	-12.2	0	0	0	112
184	T	38.6	Very low	39.5	Very low	126 Å²	126	145 Å²	145	77%	0.773	82%	0.823	S	S	*	*			trans	9.4	136.6	156.1	56.6	0	0	0	0	122.4
185	I	41.2	Very low	39.3	Very low	172 Å²	172	139.3 Å²	139.3	88%	0.882	82%	0.817	S	S	*	*				-143.5	140.8	110.8	-151.8	164.2	0	0	0	111.3
186	D	40.4	Very low	39.3	Very low	150 Å²	150	138.8 Å²	138.8	80%	0.802	82%	0.818	S	S	*	*			trans	-154.6	176.9	178.8	-158.3	-41.2	0	0	0	107
187	Q	39.4	Very low	39.1	Very low	190 Å²	190	137.3 Å²	137.3	89%	0.888	82%	0.817	S	S	*	*			trans	78.3	115	-177.1	-51.2	-176.2	6.6	0	0	115.7
188	G	42.2	Very low	38.7	Very low	74 Å²	74	138.7 Å²	138.7	76%	0.763	82%	0.818	S	S	*	*			trans	-165	94.9	174.1	0	0	0	0	0	113.2
189	M	43.7	Very low	38.6	Very low	188 Å²	188	136.5 Å²	136.5	93%	0.926	82%	0.821	S	S	*	*			trans	58.2	86.4	163.4	-54.7	-53.7	-160.6	0	0	118.5
190	A	38.7	Very low	38.5	Very low	97 Å²	97	136.7 Å²	136.7	80%	0.802	82%	0.822	S	S	*	*			trans	-76.3	168.7	138.8	0	0	0	0	0	110.3
191	A	35.8	Very low	37.9	Very low	95 Å²	95	135.3 Å²	135.3	79%	0.785	82%	0.816	S	S	*	*			trans	74	85.6	172.9	0	0	0	0	0	118.2
192	L	40.9	Very low	37.4	Very low	184 Å²	184	139.7 Å²	139.7	96%	0.963	82%	0.822	S	S	*	*			trans	-119.6	127.9	134.2	-75.4	178	0	0	0	109
193	K	36.8	Very low	37	Very low	184 Å²	184	137.8 Å²	137.8	80%	0.8	82%	0.82	S	S	*	*			trans	-147.1	151.8	-176.4	-174.2	-164.4	173.1	-175.3	0	107.9
194	L	36.6	Very low	36.9	Very low	158 Å²	158	137.5 Å²	137.5	83%	0.827	83%	0.825	S	S	*	*			trans	79.7	136.3	-179.9	-51.6	169.7	0	0	0	113.7
195	G	37.2	Very low	36.5	Very low	75 Å²	75	140.7 Å²	140.7	77%	0.773	83%	0.828	S	S	*	*			trans	158.3	34.2	-172.1	0	0	0	0	0	112.1
196	S	32.8	Very low	36.3	Very low	108 Å²	108	138.9 Å²	138.9	76%	0.755	83%	0.825	S	S	*	*			trans	-73.6	130.1	-177.7	-54.1	0	0	0	0	110.9
197	T	34.9	Very low	36	Very low	142 Å²	142	138.1 Å²	138.1	87%	0.871	83%	0.826	S	S	*	*			trans	-145.1	136.8	154.8	-38.6	0	0	0	0	109.1
198	E	32.5	Very low	35.8	Very low	179 Å²	179	132.3 Å²	132.3	84%	0.836	82%	0.817	S	S	*	*			trans	-107.6	135.7	-167.7	-59	167.9	-161.7	0	0	110.5
199	V	35.4	Very low	35.5	Very low	150 Å²	150	135 Å²	135	91%	0.909	82%	0.824	S	S	*	*			trans	-139.2	131.1	155.1	-167.4	0	0	0	0	108.4
200	A	33.4	Very low	35.1	Very low	94 Å²	94	130.3 Å²	130.3	78%	0.777	82%	0.815	S	S	*	*			trans	-89.4	156.1	-165.2	0	0	0	0	0	114.6
201	S	29.8	Very low	35.1	Very low	107 Å²	107	132.8 Å²	132.8	75%	0.748	82%	0.82	S	S	*	*			trans	-60.8	150	164.5	57	0	0	0	0	112.8
202	N	33.5	Very low	35.2	Very low	162 Å²	162	131.8 Å²	131.8	87%	0.866	82%	0.819	S	S	*	*			trans	-150.2	131.4	152.6	-110.8	-37.7	0	0	0	112.6
203	V	33.5	Very low	34.9	Very low	129 Å²	129	129.4 Å²	129.4	78%	0.782	82%	0.817	S	S	*	*			trans	-136.3	113.3	174.4	177.4	0	0	0	0	108.3
204	P	38.4	Very low	35.1	Very low	124 Å²	124	124.4 Å²	124.4	81%	0.805	82%	0.819	S	S	*	*			trans	-85	148.6	174.2	32.9	-32	0	0	0	111.7
205	K	30.4	Very low	35.1	Very low	192 Å²	192	122.6 Å²	122.6	84%	0.835	82%	0.819	S	S	*	*			trans	-144	119.8	-176.4	-169.6	177.8	-174.4	176.7	0	111
206	V	35.6	Very low	35.5	Very low	135 Å²	135	127.3 Å²	127.3	82%	0.818	83%	0.825	S	S	*	*			trans	-144.1	140.4	179.6	177.1	0	0	0	0	106.7
207	V	33.7	Very low	35.7	Very low	134 Å²	134	128 Å²	128	81%	0.812	83%	0.825	S	S	*	*			cis	138.3	130.6	-11.9	158.5	0	0	0	0	108.3
208	G	35.4	Very low	36	Very low	68 Å²	68	125.4 Å²	125.4	70%	0.701	81%	0.812	S	S	*	*			trans	109.9	138.2	178.4	0	0	0	0	0	113.2
209	S	37	Very low	36.4	Very low	129 Å²	129	123.5 Å²	123.5	90%	0.902	81%	0.808	S	S	*	*			cis	-157.3	178.7	-6.9	-118.6	0	0	0	0	112.4
210	A	35.5	Very low	36.6	Very low	90 Å²	90	123.6 Å²	123.6	74%	0.744	80%	0.801	S	S	*	*			trans	-60.4	178.8	-176.3	0	0	0	0	0	114.8
211	V	38.6	Very low	37.2	Very low	149 Å²	149	126.2 Å²	126.2	90%	0.903	81%	0.808	S	S	*	*			cis	-159.1	155.4	37.8	-174.7	0	0	0	0	111
212	G	37.2	Very low	37.6	Very low	74 Å²	74	125.7 Å²	125.7	76%	0.763	81%	0.81	S	S	*	*			trans	160.3	114.9	157.7	0	0	0	0	0	115.7
213	S	35.5	Very low	38	Very low	134 Å²	134	122.9 Å²	122.9	94%	0.937	80%	0.803	S	S	*	*			trans	-111.8	154.7	-179.7	-61.1	0	0	0	0	113
214	G	40.6	Very low	38.7	Very low	80 Å²	80	123.3 Å²	123.3	83%	0.825	80%	0.801	S	S	*	*			trans	-178.1	100.8	168.1	0	0	0	0	0	113.4
215	S	36	Very low	38.8	Very low	120 Å²	120	122.1 Å²	122.1	84%	0.839	80%	0.795	S	S	*	*			trans	-122.8	140.8	-179.9	-58.6	0	0	0	0	111.6
216	I	46.1	Very low	39.6	Very low	174 Å²	174	120.6 Å²	120.6	89%	0.892	80%	0.795	S	S	*	*			trans	-143.7	146.1	155.9	-21.8	175.9	0	0	0	109.8
217	T	36.4	Very low	40.1	Very low	123 Å²	123	119.6 Å²	119.6	76%	0.755	79%	0.791	S	S	*	*			trans	-97.3	177.7	-179.1	52.1	0	0	0	0	110.8
218	S	40.7	Very low	40.6	Very low	86 Å²	86	119.2 Å²	119.2	60%	0.601	79%	0.792	S	S	*	*				179.3	161.1	61	-47.8	0	0	0	0	113.6
219	N	42.6	Very low	41	Very low	140 Å²	140	120.8 Å²	120.8	75%	0.749	80%	0.798	S	S	*	*			trans	66.2	130.1	157.2	-52.7	-15.5	0	0	0	118.4
220	I	39.5	Very low	41.2	Very low	151 Å²	151	120.9 Å²	120.9	77%	0.774	79%	0.793	S	S	*	*			cis	92	110.6	23.8	-57.2	165.8	0	0	0	115.4
221	V	44.6	Very low	41.5	Very low	150 Å²	150	124 Å²	124	91%	0.909	80%	0.796	S	S	*	*			trans	-159	162.3	132.5	-100.8	0	0	0	0	110.4
222	A	38.9	Very low	41.8	Very low	96 Å²	96	121.4 Å²	121.4	79%	0.793	79%	0.791	S	S	*	*			trans	-111.1	-170.4	-173.9	0	0	0	0	0	111.7
223	S	42.6	Very low	42.2	Very low	102 Å²	102	123.3 Å²	123.3	71%	0.713	79%	0.789	S	S	*	*			cis	-171.2	-178.4	43.7	60.6	0	0	0	0	115.7
224	N	47.7	Very low	42.9	Very low	139 Å²	139	122.9 Å²	122.9	74%	0.743	78%	0.784	S	S	*	*			trans	95	89.4	158.9	-62.9	9.9	0	0	0	121.8
225	S	40.1	Very low	43.2	Very low	99 Å²	99	128.6 Å²	128.6	69%	0.692	79%	0.786	S	S	*	*				18.7	151.6	114	52.5	0	0	0	0	120.9
226	L	47	Very low	43.8	Very low	159 Å²	159	128 Å²	128	83%	0.832	78%	0.779	S	S	*	*			cis	-171.1	-173.3	10.6	-105.1	159.5	0	0	0	106.7
227	P	45.7	Very low	43.9	Very low	114 Å²	114	124.7 Å²	124.7	74%	0.74	78%	0.778	S	S	*	*			cis	-123	-176.5	-25.2	33.7	-13	0	0	0	113.1
228	P	45.5	Very low	44.3	Very low	127 Å²	127	122.7 Å²	122.7	83%	0.825	77%	0.769	S	S	*	*			trans	-106.8	170	-169.6	40	-35	0	0	0	117.3
229	A	44.1	Very low	44.5	Very low	101 Å²	101	129.2 Å²	129.2	84%	0.835	78%	0.78	S	S	*	*			trans	-136.7	166.5	168.8	0	0	0	0	0	111.9
230	T	40.6	Very low	45.3	Very low	130 Å²	130	125.6 Å²	125.6	80%	0.798	77%	0.77	S	S	*	*			trans	-112.5	126.2	-151.2	51.1	0	0	0	0	118.4
231	I	42.1	Very low	45.9	Very low	155 Å²	155	122.6 Å²	122.6	80%	0.795	76%	0.755	S	S	*	*			trans	46	115	134	-50.6	175.7	0	0	0	119.8
232	A	44.4	Very low	46.3	Very low	96 Å²	96	121.5 Å²	121.5	79%	0.793	74%	0.743	S	S	*	*			trans	-153.3	120.5	138.6	0	0	0	0	0	110.3
233	P	45.3	Very low	47.1	Very low	113 Å²	113	121.4 Å²	121.4	73%	0.734	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-98.9	132.7	-176.9	34.6	-31.3	0	0	0	113.9
234	P	50	Low	47.6	Very low	126 Å²	126	120.3 Å²	120.3	82%	0.818	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-77.1	159.7	167.4	32.3	-33.5	0	0	0	112.1
235	K	48.4	Very low	47.9	Very low	199 Å²	199	122.2 Å²	122.2	87%	0.865	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-85.5	140	-171.7	-59.8	168.9	-175.7	171.5	0	112
236	P	47.9	Very low	48.4	Very low	107 Å²	107	123.2 Å²	123.2	70%	0.695	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-75.3	133.4	171.6	31.1	-33.3	0	0	0	111.1
237	A	47.2	Very low	48.2	Very low	105 Å²	105	120.4 Å²	120.4	87%	0.868	74%	0.741	S	S	*	*			trans	-140	64	176.9	0	0	0	0	0	110.5
238	S	45.5	Very low	48.2	Very low	82 Å²	82	125 Å²	125	57%	0.573	75%	0.749	S	S	*	*			trans	-149.5	145.6	173.6	-175.5	0	0	0	0	111.7	A240	S238-A240 PolarHBondContact O-N 3.04Å; S238-A240 VanDerWaalsContact O-N 3.15Å
239	W	45.5	Very low	48	Very low	223 Å²	223	128 Å²	128	85%	0.845	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-67.9	-11.6	-176.3	-149.2	-126.5	0	0	0	113.4	I242	W239-I242 HydrophobicContact CE3-CD1 4.15Å; W239-I242 HydrophobicContact CZ3-CD1 4.18Å
240	A	58.1	Low	48.1	Very low	64 Å²	64	132.4 Å²	132.4	53%	0.529	76%	0.755	S	S	.	*	G	3₁₀ helix	trans	-71.2	-32.4	-176.8	0	0	0	0	0	114.6	S238 I242 A243	S238-A240 PolarHBondContact O-N 3.04Å; S238-A240 VanDerWaalsContact O-N 3.15Å; A240-I242 PolarHBondContact O-N 2.8Å; A240-I242 VanDerWaalsContact O-N 3.15Å; A240-A243 PolarHBondContact O-N 3.1Å
241	D	53.8	Low	48	Very low	87 Å²	87	131.2 Å²	131.2	47%	0.465	75%	0.749	S	S	.	*	G	3₁₀ helix	trans	-71.2	-9.1	-174.8	-77.2	-43	0	0	0	114.4
242	I	52.4	Low	47.8	Very low	127 Å²	127	133 Å²	133	65%	0.651	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-87.8	-25.9	177.2	-62.3	172.7	0	0	0	111	W239 A240	W239-I242 HydrophobicContact CE3-CD1 4.15Å; W239-I242 HydrophobicContact CZ3-CD1 4.18Å; A240-I242 PolarHBondContact O-N 2.8Å; A240-I242 VanDerWaalsContact O-N 3.15Å
243	A	54.4	Low	47.6	Very low	94 Å²	94	135.4 Å²	135.4	78%	0.777	75%	0.75	S	S	*	*	S	Bend	trans	-90.4	-8.1	-172.8	0	0	0	0	0	115	A240	A240-A243 PolarHBondContact O-N 3.1Å
244	S	54	Low	47.2	Very low	80 Å²	80	138.7 Å²	138.7	56%	0.559	75%	0.753	S	S	*	*			trans	-105	4.5	-161.2	58.9	0	0	0	0	116.2	P246	S244-P246 VanDerWaalsContact O-CD 3.3Å; S244-P246 WeakPolarHBondContact O-CD 3.48Å
245	K	54.5	Low	46.7	Very low	178 Å²	178	139 Å²	139	77%	0.774	75%	0.752	S	S	*	*			trans	-104.2	104.8	-171.9	-67.7	-179.6	-176.3	171.9	0	113.2	A247	K245-A247 PolarHBondContact O-N 3.34Å
246	P	49.2	Very low	46.3	Very low	121 Å²	121	137.3 Å²	137.3	79%	0.786	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-75.7	122.8	176.6	30	-34.1	0	0	0	111.7	S244 K248	S244-P246 VanDerWaalsContact O-CD 3.3Å; S244-P246 WeakPolarHBondContact O-CD 3.48Å; P246-K248 PolarHBondContact O-N 3.43Å
247	A	43	Very low	45.9	Very low	100 Å²	100	138.9 Å²	138.9	83%	0.826	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-74	121.7	179.8	0	0	0	0	0	112.1	K245	K245-A247 PolarHBondContact O-N 3.34Å
248	K	46.9	Very low	45.5	Very low	210 Å²	210	137.1 Å²	137.1	91%	0.913	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-81.9	130.2	172.7	-67.2	177.6	179.2	175.6	0	110.1	P246	P246-K248 PolarHBondContact O-N 3.43Å
249	Q	39.8	Very low	45.4	Very low	190 Å²	190	141.1 Å²	141.1	89%	0.888	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-91.3	142.1	174.3	-64.5	-180	-4	0	0	111.4
250	Q	46.6	Very low	45.2	Very low	194 Å²	194	135.5 Å²	135.5	91%	0.907	75%	0.754	S	S	*	*			trans	-105.6	153.8	169.5	-77.2	-177	-37.5	0	0	111.3
251	P	38.2	Very low	44.3	Very low	104 Å²	104	136.3 Å²	136.3	68%	0.675	77%	0.769	S	S	*	*			trans	-121	149.7	-160.8	17.2	6.9	0	0	0	117.1
252	K	37.7	Very low	43.9	Very low	194 Å²	194	137.5 Å²	137.5	84%	0.843	78%	0.784	S	S	*	*			trans	76.9	144.4	161.9	-58.5	157.5	-176.9	174.9	0	114.8
253	L	41.6	Very low	43.2	Very low	145 Å²	145	136.4 Å²	136.4	76%	0.759	79%	0.787	S	S	*	*			cis	-143.4	141.4	46.3	-77.6	159.2	0	0	0	112.6
254	K	37.2	Very low	43.2	Very low	183 Å²	183	139.7 Å²	139.7	80%	0.796	79%	0.791	S	S	*	*				48.4	133.9	107.2	-67.5	-172.2	174.6	-178.3	0	115.4
255	T	39.7	Very low	43.3	Very low	131 Å²	131	141.5 Å²	141.5	80%	0.804	80%	0.801	S	S	*	*			cis	-164.2	-171.3	18.5	-9.6	0	0	0	0	109.5
256	K	40.2	Very low	43.5	Very low	165 Å²	165	138.8 Å²	138.8	72%	0.717	80%	0.801	S	S	*	*			cis	-165	150.7	0.7	162.2	176.3	-179.5	-174.2	0	110
257	N	39	Very low	44	Very low	139 Å²	139	138.4 Å²	138.4	74%	0.743	80%	0.799	S	S	*	*			trans	63.7	147.4	166.4	-73	15.3	0	0	0	119.5
258	G	38	Very low	44.4	Very low	68 Å²	68	139.9 Å²	139.9	70%	0.701	80%	0.8	S	S	*	*			cis	165.4	155.4	-16.3	0	0	0	0	0	117.7
259	I	44.4	Very low	44.8	Very low	166 Å²	166	136.3 Å²	136.3	85%	0.851	79%	0.79	S	S	*	*			trans	87.2	112.1	151.1	-55.4	177.9	0	0	0	120.9
260	A	41.3	Very low	45	Very low	105 Å²	105	137 Å²	137	87%	0.868	79%	0.79	S	S	*	*			trans	67	140.9	144.3	0	0	0	0	0	124
261	G	38.6	Very low	45.4	Very low	81 Å²	81	135.7 Å²	135.7	84%	0.835	78%	0.783	S	S	*	*			trans	155.2	133.4	172.9	0	0	0	0	0	110.4
262	S	44.6	Very low	45.6	Very low	112 Å²	112	137 Å²	137	78%	0.783	79%	0.785	S	S	*	*			trans	-127.3	146.4	-162.1	58.5	0	0	0	0	117.9
263	S	38.5	Very low	46.7	Very low	104 Å²	104	136.7 Å²	136.7	73%	0.727	79%	0.788	S	S	*	*			trans	81.8	147.9	143.7	69.9	0	0	0	0	122.3
264	L	54.6	Low	47.1	Very low	164 Å²	164	136.5 Å²	136.5	86%	0.859	79%	0.788	S	S	*	*			trans	80.2	122.4	165.9	-57.7	176.8	0	0	0	119.7
265	P	56.8	Low	47.6	Very low	118 Å²	118	135.6 Å²	135.6	77%	0.766	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-102.4	158.5	168.8	38.8	-32.6	0	0	0	113.7
266	P	58.1	Low	47.9	Very low	120 Å²	120	132.5 Å²	132.5	78%	0.779	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-86.3	162.3	176	34.8	-35.4	0	0	0	114.2
267	P	58.4	Low	48.4	Very low	113 Å²	113	131.3 Å²	131.3	73%	0.734	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-84.5	163.4	-176.4	34.7	-37	0	0	0	114.6
268	P	51.3	Low	49	Very low	131 Å²	131	137.2 Å²	137.2	85%	0.851	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-81.2	137.6	-178.4	32.5	-35.1	0	0	0	113.4
269	I	55.3	Low	49.1	Very low	136 Å²	136	140.3 Å²	140.3	70%	0.697	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-95.2	133	175.2	-53.5	177.9	0	0	0	109.7	H271	I269-H271 WeakPolarHBondContact CG2-NE2 3.19Å
270	K	44.5	Very low	49.1	Very low	204 Å²	204	138.3 Å²	138.3	89%	0.887	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-97.3	134.1	165	-72.3	-177.1	176.4	-178.4	0	109.3
271	H	54.5	Low	49.2	Very low	166 Å²	166	141.9 Å²	141.9	77%	0.769	79%	0.791	S	S	*	*			trans	-115	117.4	166	-62.9	-68.8	0	0	0	109	I269	I269-H271 WeakPolarHBondContact CG2-NE2 3.19Å
272	N	43.9	Very low	49.4	Very low	132 Å²	132	141.6 Å²	141.6	71%	0.706	79%	0.788	S	S	*	*			trans	-111.6	123.3	165.7	-164.9	90.9	0	0	0	106.5	D274	N272-D274 PolarHBondContact ND2-OD2 3.27Å
273	M	59.3	Low	49.5	Very low	187 Å²	187	142.2 Å²	142.2	92%	0.921	79%	0.789	S	S	*	*			trans	-120.5	113.5	167.3	-67.8	-146.4	-55.4	0	0	108
274	D	50.9	Low	49.8	Very low	141 Å²	141	144.6 Å²	144.6	75%	0.754	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-98.3	144.9	171.8	-110.4	-64.8	0	0	0	109.5	N272	N272-D274 PolarHBondContact ND2-OD2 3.27Å
275	I	48.6	Very low	49.2	Very low	164 Å²	164	141.1 Å²	141.1	84%	0.841	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-98.9	120.4	176.4	-74.8	176.2	0	0	0	108.1
276	G	45.4	Very low	48.6	Very low	66 Å²	66	145.5 Å²	145.5	68%	0.68	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-75.7	153.8	-162.1	0	0	0	0	0	116
277	T	50.2	Low	47.9	Very low	141 Å²	141	144.1 Å²	144.1	87%	0.865	80%	0.8	S	S	*	*			trans	-109.9	153.7	158.1	48.4	0	0	0	0	109.3
278	W	51.3	Low	47.4	Very low	262 Å²	262	144.7 Å²	144.7	99%	0.992	80%	0.803	S	S	*	*			trans	-89.1	159.3	-164.5	-82.1	44.3	0	0	0	114.7
279	D	41.4	Very low	46.9	Very low	134 Å²	134	143.9 Å²	143.9	72%	0.717	80%	0.801	S	S	*	*			trans	-64.6	150.7	-171.6	-143.7	-64.9	0	0	0	115	K281	D279-K281 PolarHBondContact OD1-N 3Å
280	N	43.2	Very low	46.3	Very low	124 Å²	124	146.7 Å²	146.7	66%	0.663	81%	0.811	S	S	*	*				-171	119.6	117.7	-105.9	-86.4	0	0	0	113.5
281	K	43.9	Very low	46.1	Very low	180 Å²	180	141.7 Å²	141.7	78%	0.783	81%	0.808	S	S	*	*			trans	63.8	117	140.9	-66.1	170.6	-177.1	168.5	0	121.6	D279	D279-K281 PolarHBondContact OD1-N 3Å
282	G	42.7	Very low	45.3	Very low	75 Å²	75	141.4 Å²	141.4	77%	0.773	81%	0.811	S	S	*	*				105.7	99.9	110.4	0	0	0	0	0	118.3
283	P	46.2	Very low	45.3	Very low	124 Å²	124	140.2 Å²	140.2	81%	0.805	81%	0.808	S	S	*	*			trans	-101.6	153.9	-180	37.7	-33.2	0	0	0	114.5
284	V	44.9	Very low	44.5	Very low	155 Å²	155	140 Å²	140	94%	0.939	81%	0.805	S	S	*	*			trans	-138.8	136.2	155.4	-174.9	0	0	0	0	108.5
285	A	42.5	Very low	43.8	Very low	91 Å²	91	140.5 Å²	140.5	75%	0.752	81%	0.808	S	S	*	*			trans	-132.4	143.3	179.1	0	0	0	0	0	111.7
286	K	44.9	Very low	43.4	Very low	210 Å²	210	140.4 Å²	140.4	91%	0.913	81%	0.807	S	S	*	*			trans	-162.9	120.3	158.1	-113.8	166.3	-175.6	176.7	0	112
287	A	42.1	Very low	43.1	Very low	91 Å²	91	140.8 Å²	140.8	75%	0.752	81%	0.811	S	S	*	*			trans	-90	-171.2	154.3	0	0	0	0	0	107.8
288	P	47.5	Very low	42.6	Very low	124 Å²	124	143.1 Å²	143.1	81%	0.805	81%	0.812	S	S	*	*			cis	-119.2	-155.2	13.5	40.2	-19.4	0	0	0	111
289	S	42	Very low	42.3	Very low	115 Å²	115	135.7 Å²	135.7	80%	0.804	80%	0.798	S	S	*	*			cis	-157.3	172.9	19.5	31.5	0	0	0	0	114.1
290	Q	41.7	Very low	42.2	Very low	195 Å²	195	134.5 Å²	134.5	91%	0.911	80%	0.796	S	S	*	*			trans	-89.5	156.5	-170.4	-58.5	162.9	-27	0	0	114
291	A	41.4	Very low	42.2	Very low	99 Å²	99	138 Å²	138	82%	0.818	81%	0.808	S	S	*	*			trans	-151.8	131.7	148.1	0	0	0	0	0	111.9
292	L	38.1	Very low	42.1	Very low	160 Å²	160	133.3 Å²	133.3	84%	0.838	81%	0.811	S	S	*	*			trans	-79.2	172.3	159.5	-105.5	56.3	0	0	0	108.3
293	V	43.9	Very low	42.1	Very low	106 Å²	106	135.4 Å²	135.4	64%	0.642	81%	0.814	S	S	*	*			cis	-160.8	171.5	25.6	-133.8	0	0	0	0	111.9
294	Q	41.5	Very low	42.3	Very low	182 Å²	182	134.9 Å²	134.9	85%	0.85	81%	0.81	S	S	*	*			trans	81.5	168.9	143.5	-78.6	158.7	14.2	0	0	121
295	N	37.2	Very low	42.4	Very low	152 Å²	152	136.6 Å²	136.6	81%	0.813	81%	0.808	S	S	*	*			trans	-160.3	176.3	-147.8	-179.1	22.4	0	0	0	109.8
296	I	39.3	Very low	42.6	Very low	162 Å²	162	138 Å²	138	83%	0.831	81%	0.81	S	S	*	*			trans	92.9	125.9	171.8	-53.6	160.6	0	0	0	114.9
297	G	39.5	Very low	42.7	Very low	75 Å²	75	135.2 Å²	135.2	77%	0.773	81%	0.81	S	S	*	*			trans	147.5	89.5	164.3	0	0	0	0	0	116.8
298	Q	39.8	Very low	42.8	Very low	189 Å²	189	133.8 Å²	133.8	88%	0.883	80%	0.804	S	S	*	*			trans	-91.8	158.1	156	-113.3	-177.9	12.8	0	0	108.3
299	P	44.3	Very low	42.8	Very low	106 Å²	106	137.8 Å²	137.8	69%	0.688	81%	0.812	S	S	*	*				-160.7	170.8	68.6	44	-22.3	0	0	0	120.2
300	T	40.6	Very low	43	Very low	110 Å²	110	141.7 Å²	141.7	68%	0.675	82%	0.818	S	S	*	*			trans	51.1	129.2	141.5	53.7	0	0	0	0	126.1
301	Q	42.1	Very low	43.2	Very low	196 Å²	196	137.3 Å²	137.3	92%	0.916	82%	0.815	S	S	*	*			trans	72.6	138.3	132.6	-70.3	-179.5	-14.6	0	0	122.5
302	G	42.7	Very low	43.4	Very low	83 Å²	83	139.3 Å²	139.3	86%	0.856	81%	0.812	S	S	*	*			trans	151.4	100.7	159	0	0	0	0	0	116.2
303	S	41.4	Very low	43.8	Very low	119 Å²	119	137.7 Å²	137.7	83%	0.832	80%	0.804	S	S	*	*			trans	-104.5	155.6	163.5	-46.4	0	0	0	0	109.1
304	P	50	Low	44.3	Very low	112 Å²	112	137.9 Å²	137.9	73%	0.727	81%	0.81	S	S	*	*				-159.5	168.1	85	41.6	-21.6	0	0	0	119.1
305	Q	48.2	Very low	45.1	Very low	191 Å²	191	135.1 Å²	135.1	89%	0.893	81%	0.808	S	S	*	*			trans	58.2	142.6	144.3	-77.1	179.3	-20.4	0	0	124.3
306	P	46.8	Very low	46.4	Very low	121 Å²	121	133.9 Å²	133.9	79%	0.786	81%	0.808	S	S	*	*			trans	-117	154.6	171.7	41	-31.3	0	0	0	115.9
307	V	46.2	Very low	46.8	Very low	152 Å²	152	133 Å²	133	92%	0.921	81%	0.81	S	S	*	*			trans	-151	144.7	161.2	-177.4	0	0	0	0	106.4
308	G	44.1	Very low	47.4	Very low	61 Å²	61	133.8 Å²	133.8	63%	0.629	81%	0.809	S	S	*	*			cis	145	122.5	-3	0	0	0	0	0	110.9
309	Q	47.5	Very low	47.6	Very low	207 Å²	207	133.5 Å²	133.5	97%	0.967	81%	0.808	S	S	*	*			trans	-160.6	155.1	174.2	-117.5	161	62.8	0	0	112.4
310	Q	47.1	Very low	47.6	Very low	198 Å²	198	133 Å²	133	93%	0.925	81%	0.813	S	S	*	*			trans	-130	141.3	-168.3	-58.1	167.6	-77.9	0	0	112.8
311	A	45.5	Very low	47.9	Very low	102 Å²	102	133.8 Å²	133.8	84%	0.843	82%	0.822	S	S	*	*			trans	173.9	139.4	142.2	0	0	0	0	0	108.4
312	N	44.7	Very low	48.1	Very low	141 Å²	141	131.5 Å²	131.5	75%	0.754	82%	0.822	S	S	*	*			cis	144.9	153.7	-17.6	-173.9	32.1	0	0	0	107.6
313	N	47.6	Very low	48.2	Very low	127 Å²	127	131.1 Å²	131.1	68%	0.679	82%	0.818	S	S	*	*			trans	79.6	96.4	174.4	-58.8	-18.7	0	0	0	120.2
314	S	54.4	Low	48.4	Very low	110 Å²	110	134.4 Å²	134.4	77%	0.769	82%	0.82	S	S	*	*				51	129.2	114	-48.7	0	0	0	0	123.1
315	P	58.6	Low	48.2	Very low	124 Å²	124	138.3 Å²	138.3	81%	0.805	83%	0.829	S	S	*	*			trans	-88.5	151	162.2	36.4	-32.9	0	0	0	112.9
316	P	64.5	Low	48.1	Very low	126 Å²	126	135.8 Å²	135.8	82%	0.818	83%	0.826	S	S	*	*			trans	-94.7	154.4	176.1	36.1	-34	0	0	0	114
317	V	47.5	Very low	48.3	Very low	142 Å²	142	138.5 Å²	138.5	86%	0.861	83%	0.829	S	S	*	*			trans	-133	122.3	168.2	173.4	0	0	0	0	109.7
318	A	51.2	Low	48.8	Very low	92 Å²	92	136.8 Å²	136.8	76%	0.76	82%	0.82	S	S	*	*			trans	-155.2	124.7	161.6	0	0	0	0	0	106.4
319	Q	45.3	Very low	49.3	Very low	184 Å²	184	141.8 Å²	141.8	86%	0.86	83%	0.832	S	S	*	*				71.7	111.2	56.9	-75.5	-161	-28	0	0	115.9
320	A	43.6	Very low	50.4	Low	96 Å²	96	137.3 Å²	137.3	79%	0.793	82%	0.82	S	S	*	*			trans	62.6	110.1	145.4	0	0	0	0	0	120.7
321	S	46.8	Very low	51.6	Low	125 Å²	125	133.5 Å²	133.5	87%	0.874	81%	0.813	S	S	*	*			trans	-146.7	135.6	140.1	-72	0	0	0	0	108.4
322	V	45.7	Very low	52.9	Low	149 Å²	149	134.2 Å²	134.2	90%	0.903	81%	0.809	S	S	*	*			trans	-102.6	132.8	177.7	176.4	0	0	0	0	108.9
323	G	45.6	Very low	54.1	Low	75 Å²	75	133.1 Å²	133.1	77%	0.773	81%	0.81	S	S	*	*			trans	-158.3	110.4	175.4	0	0	0	0	0	111.4
324	Q	45.9	Very low	54.9	Low	187 Å²	187	133 Å²	133	87%	0.874	82%	0.816	S	S	*	*			trans	-84	133.4	171.6	-66.2	176.7	-9.4	0	0	109.9
325	Q	45.4	Very low	54.6	Low	195 Å²	195	136.7 Å²	136.7	91%	0.911	82%	0.821	S	S	*	*			trans	-160.3	136.9	142.5	-114.1	166.8	32.3	0	0	110.8
326	T	46	Very low	54.8	Low	138 Å²	138	136.7 Å²	136.7	85%	0.847	82%	0.821	S	S	*	*			trans	-98.5	139	178.2	39.9	0	0	0	0	110.5
327	Q	51.2	Low	53.9	Low	178 Å²	178	135.4 Å²	135.4	83%	0.832	82%	0.821	S	S	*	*			trans	-135.4	139.6	169.9	-85.3	-69.6	-15.3	0	0	109.2
328	P	57.1	Low	53.5	Low	115 Å²	115	136.4 Å²	136.4	75%	0.747	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-82.5	154.9	-174	-9.3	27.8	0	0	0	113.4
329	L	54.9	Low	53.2	Low	167 Å²	167	140 Å²	140	87%	0.874	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-76	144.1	167.8	-79.3	147.9	0	0	0	111.2
330	P	69.9	Low	52.9	Low	112 Å²	112	137 Å²	137	73%	0.727	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-75.1	153.5	173.6	32	-35.1	0	0	0	112.1
331	P	71.6	Confident	52.9	Low	118 Å²	118	138.6 Å²	138.6	77%	0.766	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-77	152.3	178.5	32.1	-35.5	0	0	0	112.9
332	P	73.2	Confident	52.5	Low	118 Å²	118	141.2 Å²	141.2	77%	0.766	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-74.2	154.4	173.3	31.7	-35.2	0	0	0	112.6
333	P	69.8	Low	52.6	Low	117 Å²	117	142.9 Å²	142.9	76%	0.76	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-74.5	158.6	-180	31.2	-36	0	0	0	113.4
334	P	64.3	Low	52.3	Low	126 Å²	126	147.9 Å²	147.9	82%	0.818	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-74.2	148.8	-176.8	30.7	-36.1	0	0	0	113.6
335	Q	49	Very low	52.2	Low	186 Å²	186	143.6 Å²	143.6	87%	0.869	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-81	142	174	-68.9	177	-26.4	0	0	111.8
336	P	61.9	Low	52.1	Low	124 Å²	124	139.1 Å²	139.1	81%	0.805	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-73.7	151.7	168.8	31.7	-34.2	0	0	0	111.6
337	A	45.8	Very low	51.8	Low	100 Å²	100	141 Å²	141	83%	0.826	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-69.8	146.5	-173.8	0	0	0	0	0	113.9
338	Q	40	Very low	51.7	Low	162 Å²	162	138.5 Å²	138.5	76%	0.757	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-70.3	131.3	175	-69.5	177.3	-27.1	0	0	111.7
339	L	43.4	Very low	50.9	Low	167 Å²	167	139 Å²	139	87%	0.874	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-97.7	117.1	159.2	-81.1	169	0	0	0	108.8	V341	L339-V341 PolarHBondContact O-N 3.1Å
340	S	39.2	Very low	49.8	Very low	122 Å²	122	141.7 Å²	141.7	85%	0.853	81%	0.811	S	S	*	*			trans	-77.2	104.3	-176.8	45.3	0	0	0	0	112.2
341	V	44.3	Very low	48.1	Very low	129 Å²	129	147.4 Å²	147.4	78%	0.782	82%	0.819	S	S	*	*			trans	-93.3	114.6	167.5	179.6	0	0	0	0	109.5	L339 Q343	L339-V341 PolarHBondContact O-N 3.1Å; V341-Q343 PolarHBondContact O-N 3.26Å
342	Q	38.4	Very low	46.7	Very low	181 Å²	181	146.2 Å²	146.2	85%	0.846	81%	0.809	S	S	*	*			trans	-80.5	106.7	-176.7	-174	178.2	11.8	0	0	110.8
343	Q	46.9	Very low	45.1	Very low	183 Å²	183	144.4 Å²	144.4	86%	0.855	80%	0.803	S	S	*	*			trans	-117.6	122.9	178.6	-158.3	166.3	75.4	0	0	111.1	V341 A345	V341-Q343 PolarHBondContact O-N 3.26Å; Q343-A345 PolarHBondContact O-N 2.87Å
344	Q	39.3	Very low	44	Very low	181 Å²	181	144.9 Å²	144.9	85%	0.846	81%	0.807	S	S	*	*			trans	-82.9	108.9	-169.3	-68.8	171.7	-20.5	0	0	111.7	A346	Q344-A346 PolarHBondContact O-N 2.91Å
345	A	44.3	Very low	43	Very low	96 Å²	96	148.6 Å²	148.6	79%	0.793	81%	0.805	S	S	*	*			trans	-80.4	104.8	171.1	0	0	0	0	0	110.7	Q343 Q347	Q343-A345 PolarHBondContact O-N 2.87Å; A345-Q347 PolarHBondContact O-N 2.9Å
346	A	43.3	Very low	42.6	Very low	101 Å²	101	147.6 Å²	147.6	84%	0.835	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-64.9	118.1	172.9	0	0	0	0	0	110.4	Q344	Q344-A346 PolarHBondContact O-N 2.91Å
347	Q	40	Very low	41.5	Very low	179 Å²	179	151.5 Å²	151.5	84%	0.836	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-77.3	137.4	175.5	-65.7	-163.7	12	0	0	110.8	A345 T349	A345-Q347 PolarHBondContact O-N 2.9Å; Q347-T349 PolarHBondContact O-N 2.66Å
348	P	49.2	Very low	41	Very low	124 Å²	124	150 Å²	150	81%	0.805	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-65.3	128.6	172.2	27.7	-33.4	0	0	0	109.8	R350	P348-R350 PolarHBondContact O-N 2.66Å; P348-R350 VanDerWaalsContact O-N 3.15Å
349	T	40.3	Very low	41	Very low	125 Å²	125	148.4 Å²	148.4	77%	0.767	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-60.5	116.6	-178.5	20.5	0	0	0	0	111.2	Q347 W351	Q347-T349 PolarHBondContact O-N 2.66Å; T349-W351 PolarHBondContact O-N 2.9Å
350	R	32.3	Very low	40.8	Very low	224 Å²	224	143.4 Å²	143.4	85%	0.845	79%	0.794	S	S	*	*			trans	-67.3	90.1	174.6	-178.4	-166	177.9	-163.9	0.6	109.9	P348 V352	P348-R350 PolarHBondContact O-N 2.66Å; P348-R350 VanDerWaalsContact O-N 3.15Å; R350-V352 HydrophobicContact CG-CG2 4.31Å; R350-V352 PolarHBondContact O-N 3.26Å
351	W	33.4	Very low	40.8	Very low	233 Å²	233	148.2 Å²	148.2	88%	0.883	80%	0.8	S	S	*	*			trans	-58.4	132.6	166	-85.6	98.4	0	0	0	110.3	T349	T349-W351 PolarHBondContact O-N 2.9Å
352	V	42	Very low	40.6	Very low	93 Å²	93	146 Å²	146	56%	0.564	80%	0.803	S	S	*	*			trans	-121.7	117	172.9	177.4	0	0	0	0	106	R350	R350-V352 HydrophobicContact CG-CG2 4.31Å; R350-V352 PolarHBondContact O-N 3.26Å
353	A	40.9	Very low	40.7	Very low	79 Å²	79	145.7 Å²	145.7	65%	0.653	80%	0.801	S	S	*	*			trans	-57.8	137.1	177.3	0	0	0	0	0	110.4	R355	A353-R355 PolarHBondContact O-N 3.11Å
354	P	45.1	Very low	40.4	Very low	128 Å²	128	143.9 Å²	143.9	83%	0.831	80%	0.797	S	S	*	*			trans	-67.7	98.9	-176.6	27.4	-34.2	0	0	0	110.2	N356	P354-N356 VanDerWaalsContact C-N 3.34Å; P354-N356 PolarHBondContact O-N 3.03Å
355	R	44.6	Very low	40.5	Very low	204 Å²	204	138.6 Å²	138.6	77%	0.77	79%	0.791	S	S	*	*			trans	-69.6	89	175.1	-81.5	-177.6	162.9	173.5	-2.8	110.5	A353 R357	A353-R355 PolarHBondContact O-N 3.11Å; R355-R357 PolarHBondContact O-N 2.97Å
356	N	39.5	Very low	40.7	Very low	164 Å²	164	140 Å²	140	88%	0.877	79%	0.79	S	S	*	*			trans	-62	107	163.9	-167.8	9.8	0	0	0	108.5	P354	P354-N356 VanDerWaalsContact C-N 3.34Å; P354-N356 PolarHBondContact O-N 3.03Å
357	R	40.2	Very low	40.8	Very low	206 Å²	206	142.9 Å²	142.9	78%	0.777	79%	0.791	S	S	*	*			trans	-142.5	81.2	-175.6	-167.9	-157.6	-76.5	-166.8	-5.8	111.5	R355	R355-R357 PolarHBondContact O-N 2.97Å
358	G	34.5	Very low	41	Very low	69 Å²	69	138.2 Å²	138.2	71%	0.711	79%	0.791	S	S	*	*			trans	-144.7	146.9	160.2	0	0	0	0	0	108.9
359	S	39.3	Very low	40.8	Very low	129 Å²	129	140.3 Å²	140.3	90%	0.902	80%	0.795	S	S	*	*			cis	-145.1	158.7	-6.7	-169.3	0	0	0	0	109.8
360	G	39	Very low	41.1	Very low	62 Å²	62	137.6 Å²	137.6	64%	0.639	79%	0.792	S	S	*	*			trans	-126.6	107.3	-178.6	0	0	0	0	0	112.4
361	F	39.4	Very low	41.8	Very low	223 Å²	223	134 Å²	134	98%	0.978	80%	0.795	S	S	*	*			trans	32.7	103.3	157.5	-66	-88	0	0	0	119.1
362	G	40.6	Very low	42.4	Very low	82 Å²	82	126 Å²	126	85%	0.845	79%	0.785	S	S	*	*			trans	-135	153.7	154.8	0	0	0	0	0	109
363	H	41.8	Very low	42.7	Very low	175 Å²	175	131.6 Å²	131.6	81%	0.81	81%	0.805	S	S	*	*			trans	-135	155.5	-161.5	-164.3	58.7	0	0	0	113.3
364	N	39.5	Very low	43.1	Very low	145 Å²	145	133.1 Å²	133.1	78%	0.775	81%	0.811	S	S	*	*			trans	75.5	145.8	174	-64.1	-24.7	0	0	0	119.8
365	G	40.6	Very low	43.4	Very low	70 Å²	70	136.4 Å²	136.4	72%	0.722	82%	0.815	S	S	*	*			trans	110.3	65.4	-179.1	0	0	0	0	0	113
366	V	49.3	Very low	43.4	Very low	126 Å²	126	131.7 Å²	131.7	76%	0.764	82%	0.819	S	S	*	*				69.2	106.8	82.5	-179.1	0	0	0	0	113.7
367	D	45.3	Very low	43.5	Very low	161 Å²	161	127 Å²	127	86%	0.861	81%	0.81	S	S	*	*			trans	50.8	112.6	152.5	-53.9	-13	0	0	0	121.4
368	G	44.6	Very low	43.7	Very low	80 Å²	80	123.1 Å²	123.1	83%	0.825	81%	0.814	S	S	*	*			trans	-163.1	93.4	167.5	0	0	0	0	0	110.8	G370	G368-G370 PolarHBondContact O-N 3.17Å
369	N	44.2	Very low	43.9	Very low	168 Å²	168	123 Å²	123	90%	0.898	81%	0.813	S	S	*	*			trans	-78.5	121.1	-169.8	-161.5	10.9	0	0	0	111.8
370	G	47.1	Very low	44.2	Very low	68 Å²	68	122.3 Å²	122.3	70%	0.701	81%	0.808	S	S	*	*			trans	-158	99	-175.5	0	0	0	0	0	113.5	G368 G372	G368-G370 PolarHBondContact O-N 3.17Å; G370-G372 PolarHBondContact O-N 2.89Å
371	V	46.9	Very low	44.6	Very low	149 Å²	149	125 Å²	125	90%	0.903	81%	0.812	S	S	*	*			trans	-83.1	102.6	179.5	-177.4	0	0	0	0	110.2
372	G	47	Very low	45.4	Very low	65 Å²	65	120.1 Å²	120.1	67%	0.67	80%	0.803	S	S	*	*			trans	-131.5	124	174	0	0	0	0	0	111.6	G370 S374	G370-G372 PolarHBondContact O-N 2.89Å; G372-S374 PolarHBondContact O-N 2.86Å
373	Q	48.5	Very low	46.6	Very low	210 Å²	210	121 Å²	121	98%	0.981	80%	0.796	S	S	*	*			trans	-71.5	114.8	174.5	-71.7	-179.4	-15.3	0	0	110
374	S	48.6	Very low	48.2	Very low	112 Å²	112	120.4 Å²	120.4	78%	0.783	79%	0.794	S	S	*	*			trans	-117.6	139	168.4	52.4	0	0	0	0	109.5	G372	G372-S374 PolarHBondContact O-N 2.86Å
375	Q	51	Low	50.1	Low	197 Å²	197	115.4 Å²	115.4	92%	0.921	77%	0.769	S	S	*	*			trans	-60.1	144.3	-179.6	-70	168	-74.6	0	0	110.7	G377	Q375-G377 VanDerWaalsContact C-N 3.35Å; Q375-G377 PolarHBondContact O-N 3.43Å
376	A	44.2	Very low	52.4	Low	104 Å²	104	114.3 Å²	114.3	86%	0.86	75%	0.745	S	S	*	*			trans	-65.1	94	171.8	0	0	0	0	0	110	S378	A376-S378 PolarHBondContact O-N 2.92Å
377	G	41.1	Very low	54.4	Low	66 Å²	66	112.5 Å²	112.5	68%	0.68	74%	0.736	S	S	*	*			trans	-56.2	136.7	165.6	0	0	0	0	0	109.2	Q375 G379	Q375-G377 VanDerWaalsContact C-N 3.35Å; Q375-G377 PolarHBondContact O-N 3.43Å; G377-G379 VanDerWaalsContact C-N 3.34Å; G377-G379 PolarHBondContact O-N 3.31Å
378	S	44.7	Very low	56.7	Low	124 Å²	124	107.1 Å²	107.1	87%	0.867	71%	0.709	S	S	*	*			trans	-65.7	90.1	-176.1	55.4	0	0	0	0	110.9	A376 S380	A376-S378 PolarHBondContact O-N 2.92Å; S378-S380 PolarHBondContact O-N 3.06Å
379	G	38.5	Very low	59	Low	66 Å²	66	103.5 Å²	103.5	68%	0.68	67%	0.671	S	S	*	*			trans	-56.9	122.2	171.7	0	0	0	0	0	109.2	G377 T381	G377-G379 VanDerWaalsContact C-N 3.34Å; G377-G379 PolarHBondContact O-N 3.31Å; G379-T381 PolarHBondContact O-N 2.64Å
380	S	46	Very low	61.3	Low	115 Å²	115	100.5 Å²	100.5	80%	0.804	65%	0.651	S	S	*	*			trans	-63.6	101.2	178	54.1	0	0	0	0	109.2	S378	S378-S380 PolarHBondContact O-N 3.06Å
381	T	48.3	Very low	63.6	Low	119 Å²	119	103.8 Å²	103.8	73%	0.73	65%	0.646	S	S	*	*			trans	-51.6	139.6	165.1	47.7	0	0	0	0	108.6	G379 S383	G379-T381 PolarHBondContact O-N 2.64Å; T381-S383 PolarHBondContact O-N 3.49Å; T381-S383 VanDerWaalsContact O-N 3.13Å
382	P	55.7	Low	65.8	Low	121 Å²	121	97.4 Å²	97.4	79%	0.786	61%	0.607	S	S	*	*			trans	-48.5	125.9	168.6	-25.1	34.4	0	0	0	108.7	E384	P382-E384 PolarHBondContact O-N 2.82Å
383	S	65.1	Low	68	Low	100 Å²	100	100 Å²	100	70%	0.699	60%	0.597	S	S	*	*			trans	-67.2	109	-176.1	52.5	0	0	0	0	109	T381	T381-S383 PolarHBondContact O-N 3.49Å; T381-S383 VanDerWaalsContact O-N 3.13Å
384	E	75.5	Confident	70.1	Confident	162 Å²	162	94.7 Å²	94.7	76%	0.757	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-49.6	135.8	171	-71	-65.4	167.9	0	0	109.6	P382 H386	P382-E384 PolarHBondContact O-N 2.82Å; E384-H386 PolarHBondContact O-N 3.37Å
385	P	80.7	Confident	72.1	Confident	41 Å²	41	94.8 Å²	94.8	27%	0.266	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-62.5	139.6	-176.2	27.2	-34	0	0	0	110.2	L389 E390	P385-L389 HydrophobicContact CB-CD2 4.31Å; P385-E390 HydrophobicContact CB-CG 4.12Å; P385-E390 HydrophobicContact CG-CG 3.83Å
386	H	87.7	Confident	74.1	Confident	47 Å²	47	86 Å²	86	22%	0.218	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-55.3	136.7	177.8	-156.9	-119.7	0	0	0	110.4	E384 V388 L389 E390 F557 E561	E384-H386 PolarHBondContact O-N 3.37Å; H386-V388 PolarHBondContact O-N 3.15Å; H386-L389 HydrophobicContact CB-CB 4.3Å; H386-L389 WeakPolarHBondContact O-CA 3.42Å; H386-L389 VanDerWaalsContact O-CB 3.27Å; H386-L389 WeakPolarHBondContact O-CB 3.45Å; H386-L389 PolarHBondContact O-N 2.91Å; H386-E390 PolarHBondContact O-N 2.89Å; H386-F557 HydrophobicContact CB-CD1 3.84Å; H386-F557 HydrophobicContact CB-CE1 4.28Å; H386-E561 IonicContact CE1-OE2 3.83Å; H386-E561 PolarHBondContact CE1-OE2 2.9Å; H386-E561 VanDerWaalsContact CE1-OE2 3.27Å; H386-E561 WeakPolarHBondContact ND1-CG 3.48Å; H386-E561 IonicContact ND1-OE2 2.72Å; H386-E561 PolarHBondContact ND1-OE2 3.41Å
387	P	92.6	Very high	76.5	Confident	88 Å²	88	86.6 Å²	86.6	57%	0.571	52%	0.521	S	S	*	.	H	α-helix	trans	-59.8	-24.2	-177.2	21.2	-33.8	0	0	0	113.3	K391	P387-K391 WeakPolarHBondContact O-CB 3.33Å; P387-K391 PolarHBondContact O-N 3.05Å
388	V	92.7	Very high	79.1	Confident	47 Å²	47	84.6 Å²	84.6	29%	0.285	49%	0.493	S	S	.	.	H	α-helix	trans	-69.4	-38.7	170.7	178.9	0	0	0	0	111.7	H386 K391 L392 K428 F557 E561	H386-V388 PolarHBondContact O-N 3.15Å; V388-K391 PolarHBondContact O-N 3.2Å; V388-L392 HydrophobicContact CG1-CD1 4.05Å; V388-L392 HydrophobicContact CG1-CG 4.49Å; V388-L392 WeakPolarHBondContact O-CB 3.3Å; V388-L392 VanDerWaalsContact O-CG 3.23Å; V388-L392 WeakPolarHBondContact O-CG 3.5Å; V388-L392 PolarHBondContact O-N 3.34Å; V388-K428 HydrophobicContact CG1-CG 4.32Å; V388-F557 HydrophobicContact CB-CE1 4.15Å; V388-F557 HydrophobicContact CG1-CE1 4.16Å; V388-F557 HydrophobicContact CG1-CZ 4.15Å; V388-E561 WeakPolarHBondContact CB-OE2 3.45Å; V388-E561 WeakPolarHBondContact CG1-OE2 3.33Å; V388-E561 VanDerWaalsContact CG2-OE2 3.25Å; V388-E561 WeakPolarHBondContact CG2-OE2 3.25Å
389	L	92.8	Very high	81.6	Confident	4 Å²	4	80.3 Å²	80.3	2%	0.021	46%	0.461	C	S	.	.	H	α-helix	trans	-66.3	-40.1	174.2	177.6	57.9	0	0	0	111.9	P385 H386 L392 R393 F554 F557	P385-L389 HydrophobicContact CB-CD2 4.31Å; H386-L389 HydrophobicContact CB-CB 4.3Å; H386-L389 WeakPolarHBondContact O-CA 3.42Å; H386-L389 VanDerWaalsContact O-CB 3.27Å; H386-L389 WeakPolarHBondContact O-CB 3.45Å; H386-L389 PolarHBondContact O-N 2.91Å; L389-L392 PolarHBondContact O-N 2.81Å; L389-R393 HydrophobicContact CD1-CG 4.1Å; L389-R393 WeakPolarHBondContact O-CB 3.36Å; L389-R393 VanDerWaalsContact O-CG 3.31Å; L389-R393 WeakPolarHBondContact O-CG 3.12Å; L389-R393 PolarHBondContact O-N 3.34Å; L389-F554 HydrophobicContact CD1-CB 4.27Å; L389-F554 HydrophobicContact CD1-CD1 3.24Å; L389-F554 HydrophobicContact CD1-CE1 3.5Å; L389-F554 VanDerWaalsContact CD1-CE1 3.5Å; L389-F554 HydrophobicContact CD1-CG 3.81Å; L389-F554 HydrophobicContact CD1-CZ 4.26Å; L389-F554 HydrophobicContact CD2-CB 4.22Å; L389-F557 HydrophobicContact CB-CD1 3.75Å; L389-F557 HydrophobicContact CB-CD2 4.44Å; L389-F557 HydrophobicContact CB-CE1 3.89Å; L389-F557 HydrophobicContact CB-CG 4.04Å; L389-F557 HydrophobicContact CB-CZ 4.32Å; L389-F557 HydrophobicContact CD1-CD2 4.06Å; L389-F557 HydrophobicContact CD1-CE2 4.27Å; L389-F557 HydrophobicContact CD1-CG 4.35Å; L389-F557 HydrophobicContact CD2-CB 3.95Å; L389-F557 HydrophobicContact CD2-CG 4.11Å; L389-F557 HydrophobicContact CG-CG 4.4Å
390	E	93.1	Very high	84.4	Confident	105 Å²	105	78.4 Å²	78.4	49%	0.491	44%	0.436	S	S	.	.	H	α-helix	trans	-61.4	-44.3	173	-60	-165.5	119.2	0	0	111.8	P385 H386 L392 R393 S394	P385-E390 HydrophobicContact CB-CG 4.12Å; P385-E390 HydrophobicContact CG-CG 3.83Å; H386-E390 PolarHBondContact O-N 2.89Å; E390-L392 VanDerWaalsContact C-N 3.34Å; E390-L392 PolarHBondContact O-N 3.06Å; E390-R393 PolarHBondContact O-N 2.7Å; E390-S394 WeakPolarHBondContact O-CB 3.15Å; E390-S394 PolarHBondContact O-N 3.21Å; E390-S394 PolarHBondContact O-OG 2.94Å
391	K	94.2	Very high	86.7	Confident	137 Å²	137	81.9 Å²	81.9	60%	0.596	44%	0.437	S	S	*	.	H	α-helix	trans	-61.9	-40.2	174.4	-174.6	176.7	179.4	-178.4	0	111.9	P387 V388 S394 I395	P387-K391 WeakPolarHBondContact O-CB 3.33Å; P387-K391 PolarHBondContact O-N 3.05Å; V388-K391 PolarHBondContact O-N 3.2Å; K391-S394 WeakPolarHBondContact CA-OG 3.22Å; K391-S394 PolarHBondContact O-OG 3.35Å; K391-S394 VanDerWaalsContact O-OG 3.1Å; K391-I395 HydrophobicContact CG-CD1 3.8Å; K391-I395 WeakPolarHBondContact O-CB 3.36Å; K391-I395 WeakPolarHBondContact O-CD1 3.39Å; K391-I395 VanDerWaalsContact O-CG1 3.22Å; K391-I395 WeakPolarHBondContact O-CG1 3.46Å; K391-I395 PolarHBondContact O-N 2.76Å; K391-I395 VanDerWaalsContact O-N 3.09Å
392	L	94.6	Very high	88.9	Confident	15 Å²	15	83.9 Å²	83.9	8%	0.079	44%	0.443	C	S	.	.	H	α-helix	trans	-66.9	-43.1	176.4	-74	165.9	0	0	0	111.9	V388 L389 E390 I395 N396 Y398 F557	V388-L392 HydrophobicContact CG1-CD1 4.05Å; V388-L392 HydrophobicContact CG1-CG 4.49Å; V388-L392 WeakPolarHBondContact O-CB 3.3Å; V388-L392 VanDerWaalsContact O-CG 3.23Å; V388-L392 WeakPolarHBondContact O-CG 3.5Å; V388-L392 PolarHBondContact O-N 3.34Å; L389-L392 PolarHBondContact O-N 2.81Å; E390-L392 VanDerWaalsContact C-N 3.34Å; E390-L392 PolarHBondContact O-N 3.06Å; L392-I395 PolarHBondContact O-N 2.89Å; L392-N396 WeakPolarHBondContact O-CB 3.43Å; L392-N396 PolarHBondContact O-N 3.44Å; L392-N396 PolarHBondContact O-ND2 2.87Å; L392-Y398 HydrophobicContact CB-CE2 4.18Å; L392-Y398 WeakPolarHBondContact O-CE2 3.37Å; L392-F557 HydrophobicContact CD1-CE2 3.9Å; L392-F557 HydrophobicContact CD1-CZ 3.55Å
393	R	93.3	Very high	90.9	Very high	121 Å²	121	79.2 Å²	79.2	46%	0.457	41%	0.411	S	S	.	.	H	α-helix	trans	-68.3	-31.2	177.8	-73.6	173.5	175.2	179.7	-0.4	113.5	L389 E390 Y398	L389-R393 HydrophobicContact CD1-CG 4.1Å; L389-R393 WeakPolarHBondContact O-CB 3.36Å; L389-R393 VanDerWaalsContact O-CG 3.31Å; L389-R393 WeakPolarHBondContact O-CG 3.12Å; L389-R393 PolarHBondContact O-N 3.34Å; E390-R393 PolarHBondContact O-N 2.7Å; R393-Y398 HydrophobicContact CG-CD2 4.23Å; R393-Y398 HydrophobicContact CG-CE2 4.41Å
394	S	91.5	Very high	92.4	Very high	97 Å²	97	79.2 Å²	79.2	68%	0.678	40%	0.402	S	S	*	.	H	α-helix	trans	-79.8	-29.2	175.5	49.8	0	0	0	0	113.3	E390 K391	E390-S394 WeakPolarHBondContact O-CB 3.15Å; E390-S394 PolarHBondContact O-N 3.21Å; E390-S394 PolarHBondContact O-OG 2.94Å; K391-S394 WeakPolarHBondContact CA-OG 3.22Å; K391-S394 PolarHBondContact O-OG 3.35Å; K391-S394 VanDerWaalsContact O-OG 3.1Å
395	I	91.8	Very high	93.4	Very high	114 Å²	114	75.7 Å²	75.7	59%	0.585	38%	0.382	S	S	*	.	H	α-helix	trans	-80.9	-34.1	174	-66.8	169.4	0	0	0	112.1	K391 L392	K391-I395 HydrophobicContact CG-CD1 3.8Å; K391-I395 WeakPolarHBondContact O-CB 3.36Å; K391-I395 WeakPolarHBondContact O-CD1 3.39Å; K391-I395 VanDerWaalsContact O-CG1 3.22Å; K391-I395 WeakPolarHBondContact O-CG1 3.46Å; K391-I395 PolarHBondContact O-N 2.76Å; K391-I395 VanDerWaalsContact O-N 3.09Å; L392-I395 PolarHBondContact O-N 2.89Å
396	N	92.5	Very high	94.1	Very high	13 Å²	13	76.5 Å²	76.5	7%	0.07	39%	0.385	C	S	.	.	S	Bend	trans	-121.3	120.2	-172.3	-54.9	-86	0	0	0	112	L392 Y398	L392-N396 WeakPolarHBondContact O-CB 3.43Å; L392-N396 PolarHBondContact O-N 3.44Å; L392-N396 PolarHBondContact O-ND2 2.87Å; N396-Y398 VanDerWaalsContact C-N 3.28Å; N396-Y398 HydrophobicContact CB-CD1 3.98Å; N396-Y398 HydrophobicContact CB-CD2 4.21Å; N396-Y398 HydrophobicContact CB-CE1 3.54Å; N396-Y398 HydrophobicContact CB-CE2 3.81Å; N396-Y398 HydrophobicContact CB-CG 4.3Å; N396-Y398 VanDerWaalsContact CB-CZ 3.46Å; N396-Y398 PolarHBondContact ND2-OH 2.89Å; N396-Y398 WeakPolarHBondContact O-CD2 3.23Å; N396-Y398 PolarHBondContact O-N 3.45Å
397	N	93.3	Very high	94.5	Very high	117 Å²	117	74.8 Å²	74.8	63%	0.626	38%	0.377	S	S	*	.			trans	-70.5	81.2	168.5	-175.3	22.2	0	0	0	111
398	Y	96.6	Very high	94.6	Very high	24 Å²	24	77 Å²	77	9%	0.094	38%	0.377	C	S	.	.			trans	-76.1	152	176.4	-60.3	-58.3	0	0	0	112.4	L392 R393 N396 P400 W499 I500 V502 F554	L392-Y398 HydrophobicContact CB-CE2 4.18Å; L392-Y398 WeakPolarHBondContact O-CE2 3.37Å; R393-Y398 HydrophobicContact CG-CD2 4.23Å; R393-Y398 HydrophobicContact CG-CE2 4.41Å; N396-Y398 VanDerWaalsContact C-N 3.28Å; N396-Y398 HydrophobicContact CB-CD1 3.98Å; N396-Y398 HydrophobicContact CB-CD2 4.21Å; N396-Y398 HydrophobicContact CB-CE1 3.54Å; N396-Y398 HydrophobicContact CB-CE2 3.81Å; N396-Y398 HydrophobicContact CB-CG 4.3Å; N396-Y398 VanDerWaalsContact CB-CZ 3.46Å; N396-Y398 PolarHBondContact ND2-OH 2.89Å; N396-Y398 WeakPolarHBondContact O-CD2 3.23Å; N396-Y398 PolarHBondContact O-N 3.45Å; Y398-P400 VanDerWaalsContact C-CD 3.5Å; Y398-W499 HydrophobicContact CD1-CB 4.41Å; Y398-W499 HydrophobicContact CE1-CB 3.82Å; Y398-I500 CarbonylContact C-O 3.53Å; Y398-I500 WeakPolarHBondContact CA-O 3.48Å; Y398-V502 HydrophobicContact CD1-CG2 4.09Å; Y398-V502 HydrophobicContact CE1-CG2 4.3Å; Y398-F554 AromaticContact CD2-CE2 3.97Å; Y398-F554 HydrophobicContact CD2-CE2 3.97Å; Y398-F554 AromaticContact CD2-CZ 3.56Å; Y398-F554 HydrophobicContact CD2-CZ 3.56Å; Y398-F554 HydrophobicContact CE2-CE1 4.32Å; Y398-F554 HydrophobicContact CE2-CE2 4.42Å; Y398-F554 AromaticContact CE2-CZ 3.58Å; Y398-F554 HydrophobicContact CE2-CZ 3.58Å; Y398-F554 HydrophobicContact CG-CE2 4.29Å; Y398-F554 HydrophobicContact CG-CZ 4.04Å
399	N	97.1	Very high	94.7	Very high	34 Å²	34	81 Å²	81	18%	0.182	39%	0.392	C	S	.	.	S	Bend	trans	52	47	178.8	-61.6	-34.7	0	0	0	114.3	I500 F501 V502 K503	N399-I500 PolarHBondContact N-O 3.22Å; N399-F501 HydrophobicContact CB-CD1 4.36Å; N399-F501 VanDerWaalsContact OD1-CA 3.29Å; N399-F501 WeakPolarHBondContact OD1-CA 3.39Å; N399-F501 WeakPolarHBondContact OD1-CD1 3.39Å; N399-V502 PolarHBondContact ND2-O 3.42Å; N399-V502 PolarHBondContact OD1-N 3.05Å; N399-V502 PolarHBondContact OD1-O 3.41Å; N399-K503 WeakPolarHBondContact OD1-CD 3.43Å
400	P	97.1	Very high	94.9	Very high	26 Å²	26	81.5 Å²	81.5	17%	0.169	40%	0.399	C	S	.	.			trans	-60.1	140.2	-177.1	26.4	-34.7	0	0	0	111.8	Y398 F403 I500 F501	Y398-P400 VanDerWaalsContact C-CD 3.5Å; P400-F403 HydrophobicContact CG-CB 4.3Å; P400-F403 HydrophobicContact CG-CD2 4.39Å; P400-I500 WeakPolarHBondContact CD-O 3.14Å; P400-I500 HydrophobicContact CG-CG2 3.88Å; P400-F501 HydrophobicContact CG-CZ 4.34Å
401	K	94.7	Very high	95.2	Very high	187 Å²	187	79.7 Å²	79.7	81%	0.813	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-45.1	-178.7	-54.5	-56.8	-177.4	-177.4	0	111.4	F403	K401-F403 VanDerWaalsContact C-N 3.25Å; K401-F403 PolarHBondContact O-N 3.26Å
402	D	95.1	Very high	95.4	Very high	161 Å²	161	73.2 Å²	73.2	86%	0.861	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	39	-171	-43.8	-76.8	0	0	0	112.1	D404	D402-D404 PolarHBondContact O-N 3.07Å
403	F	96.8	Very high	95.6	Very high	24 Å²	24	72.5 Å²	72.5	11%	0.105	36%	0.356	C	S	.	.			trans	-74.6	121.7	-179.6	-179.7	-95.3	0	0	0	111.5	P400 K401 W405 Y456 I500 F501 L541 A545	P400-F403 HydrophobicContact CG-CB 4.3Å; P400-F403 HydrophobicContact CG-CD2 4.39Å; K401-F403 VanDerWaalsContact C-N 3.25Å; K401-F403 PolarHBondContact O-N 3.26Å; F403-W405 HydrophobicContact CD1-CB 4.2Å; F403-W405 HydrophobicContact CE1-CB 4.27Å; F403-W405 PolarHBondContact O-N 3.45Å; F403-Y456 HydrophobicContact CZ-CE1 4.49Å; F403-Y456 HydrophobicContact CZ-CE2 4.27Å; F403-I500 HydrophobicContact CD2-CG2 3.96Å; F403-I500 HydrophobicContact CE2-CD1 4.39Å; F403-I500 HydrophobicContact CE2-CG2 3.93Å; F403-F501 HydrophobicContact CB-CE2 4.14Å; F403-F501 HydrophobicContact CB-CZ 3.7Å; F403-F501 AromaticContact CD1-CE2 3.73Å; F403-F501 HydrophobicContact CD1-CE2 3.73Å; F403-F501 HydrophobicContact CD1-CZ 4.05Å; F403-F501 AromaticContact CD2-CE2 3.81Å; F403-F501 HydrophobicContact CD2-CE2 3.81Å; F403-F501 HydrophobicContact CD2-CZ 4.19Å; F403-F501 HydrophobicContact CE1-CE2 4.06Å; F403-F501 HydrophobicContact CE2-CE2 4.14Å; F403-F501 AromaticContact CG-CE2 3.6Å; F403-F501 HydrophobicContact CG-CE2 3.6Å; F403-F501 AromaticContact CG-CZ 3.7Å; F403-F501 HydrophobicContact CG-CZ 3.7Å; F403-F501 HydrophobicContact CZ-CE2 4.26Å; F403-L541 HydrophobicContact CE1-CB 4.31Å; F403-L541 HydrophobicContact CE1-CD1 4.47Å; F403-L541 HydrophobicContact CE1-CD2 4.16Å; F403-L541 HydrophobicContact CZ-CD2 4.37Å; F403-A545 HydrophobicContact CD1-CB 4.44Å
404	D	96.2	Very high	95.9	Very high	99 Å²	99	66.7 Å²	66.7	53%	0.529	33%	0.334	S	S	.	.			trans	-73	98.1	173.1	-175.3	16.9	0	0	0	111.4	D402 N406 L407	D402-D404 PolarHBondContact O-N 3.07Å; D404-N406 VanDerWaalsContact C-N 3.33Å; D404-N406 WeakPolarHBondContact OD1-CA 3.46Å; D404-N406 WeakPolarHBondContact OD1-CB 3.45Å; D404-N406 PolarHBondContact OD1-N 3.38Å; D404-L407 WeakPolarHBondContact O-CD2 3.46Å
405	W	96.5	Very high	96.2	Very high	89 Å²	89	62.1 Å²	62.1	34%	0.337	30%	0.302	S	S	.	.			trans	-82.5	-5.5	171.8	52.2	-93.4	0	0	0	113.2	F403 L407 K538 L541 K542	F403-W405 HydrophobicContact CD1-CB 4.2Å; F403-W405 HydrophobicContact CE1-CB 4.27Å; F403-W405 PolarHBondContact O-N 3.45Å; W405-L407 VanDerWaalsContact C-N 3.31Å; W405-L407 PolarHBondContact O-N 3.13Å; W405-K538 WeakPolarHBondContact O-CA 3.41Å; W405-K538 WeakPolarHBondContact O-CG 3.32Å; W405-L541 HydrophobicContact CB-CB 3.84Å; W405-K542 HydrophobicContact CB-CB 4.27Å; W405-K542 HydrophobicContact CD2-CB 3.67Å; W405-K542 HydrophobicContact CD2-CD 4.11Å; W405-K542 HydrophobicContact CD2-CG 3.8Å; W405-K542 HydrophobicContact CE3-CB 3.83Å; W405-K542 HydrophobicContact CE3-CD 4.01Å; W405-K542 HydrophobicContact CE3-CG 4.12Å; W405-K542 HydrophobicContact CG-CB 3.85Å; W405-K542 HydrophobicContact CG-CG 4.22Å; W405-K542 HydrophobicContact CH2-CD 3.86Å; W405-K542 HydrophobicContact CZ2-CD 3.91Å; W405-K542 HydrophobicContact CZ2-CG 4.24Å; W405-K542 HydrophobicContact CZ3-CD 3.89Å; W405-K542 HydrophobicContact CZ3-CG 4.49Å
406	N	96.7	Very high	96.5	Very high	58 Å²	58	58.1 Å²	58.1	31%	0.31	28%	0.28	S	S	.	.	S	Bend	trans	-95.7	46.1	-173.6	-168.7	6.1	0	0	0	112.8	D404 K408	D404-N406 VanDerWaalsContact C-N 3.33Å; D404-N406 WeakPolarHBondContact OD1-CA 3.46Å; D404-N406 WeakPolarHBondContact OD1-CB 3.45Å; D404-N406 PolarHBondContact OD1-N 3.38Å; N406-K408 PolarHBondContact ND2-NZ 3.38Å; N406-K408 PolarHBondContact O-N 3.42Å; N406-K408 PolarHBondContact OD1-NZ 3.46Å
407	L	95	Very high	96.7	Very high	10 Å²	10	57.7 Å²	57.7	5%	0.052	28%	0.278	C	S	.	.			trans	-48.6	124.4	-172.3	-53	-178.3	0	0	0	113.2	D404 W405 V412 Y456 L534 K538 L541	D404-L407 WeakPolarHBondContact O-CD2 3.46Å; W405-L407 VanDerWaalsContact C-N 3.31Å; W405-L407 PolarHBondContact O-N 3.13Å; L407-V412 HydrophobicContact CD1-CG2 4.28Å; L407-Y456 HydrophobicContact CD1-CD2 3.67Å; L407-Y456 HydrophobicContact CD1-CE2 3.63Å; L407-Y456 HydrophobicContact CD2-CE2 3.79Å; L407-Y456 HydrophobicContact CG-CE2 4.36Å; L407-L534 HydrophobicContact CB-CD1 4.03Å; L407-L534 HydrophobicContact CD1-CD1 4.41Å; L407-K538 WeakPolarHBondContact O-CE 3.45Å; L407-L541 HydrophobicContact CD1-CD1 3.6Å; L407-L541 HydrophobicContact CG-CD1 4.2Å
408	K	95.5	Very high	96.7	Very high	135 Å²	135	59.7 Å²	59.7	59%	0.587	28%	0.278	S	S	*	.	S	Bend	trans	-81.7	-36.3	173.4	-53.6	-51.2	177.2	-161.7	0	112.2	N406	N406-K408 PolarHBondContact ND2-NZ 3.38Å; N406-K408 PolarHBondContact O-N 3.42Å; N406-K408 PolarHBondContact OD1-NZ 3.46Å
409	H	95.3	Very high	96.6	Very high	130 Å²	130	59.7 Å²	59.7	60%	0.602	28%	0.281	S	S	*	.	S	Bend	trans	-138.6	152.5	176.3	-53	-50	0	0	0	109.2
410	G	96.9	Very high	96.5	Very high	15 Å²	15	61.7 Å²	61.7	16%	0.155	29%	0.289	C	S	.	.			trans	143.8	168.1	-179.3	0	0	0	0	0	111.7	P454	G410-P454 CarbonylContact C-O 3.6Å; G410-P454 WeakPolarHBondContact CA-O 3.31Å
411	R	98.4	Very high	96.4	Very high	68 Å²	68	61.3 Å²	61.3	26%	0.257	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.6	171.8	-63	178.5	71.1	168.7	2.3	108.9	F413 S448 M449 P454 V455 Y456 E531	R411-F413 HydrophobicContact CB-CE2 3.78Å; R411-F413 HydrophobicContact CB-CZ 4.34Å; R411-S448 PolarHBondContact NH1-OG 3.46Å; R411-M449 HydrophobicContact CG-CG 4.36Å; R411-M449 HydrophobicContact CG-SD 3.85Å; R411-P454 PolarHBondContact N-O 2.58Å; R411-V455 HydrophobicContact CB-CG2 4.49Å; R411-V455 CarbonylContact O-C 3.45Å; R411-V455 VanDerWaalsContact O-CA 3.3Å; R411-V455 WeakPolarHBondContact O-CA 3.29Å; R411-Y456 PolarHBondContact O-N 2.86Å; R411-E531 IonicContact CZ-OE1 2.63Å; R411-E531 VanDerWaalsContact CZ-OE1 3.28Å; R411-E531 IonicContact CZ-OE2 3.48Å; R411-E531 IonicContact NE-OE1 2.86Å; R411-E531 PolarHBondContact NE-OE1 2.87Å; R411-E531 IonicContact NE-OE2 3.21Å; R411-E531 VanDerWaalsContact NH2-CD 3.27Å; R411-E531 IonicContact NH2-OE1 3.1Å; R411-E531 PolarHBondContact NH2-OE1 3.47Å; R411-E531 IonicContact NH2-OE2 2.93Å; R411-E531 PolarHBondContact NH2-OE2 3.48Å
412	V	98.8	Very high	96.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130.6	-174	-175.1	0	0	0	0	110	L407 Y456 L458 V532 A537	L407-V412 HydrophobicContact CD1-CG2 4.28Å; V412-Y456 CarbonylContact C-O 3.57Å; V412-Y456 WeakPolarHBondContact CA-O 3.41Å; V412-Y456 HydrophobicContact CG2-CD2 4.36Å; V412-L458 HydrophobicContact CG1-CD1 3.62Å; V412-L458 HydrophobicContact CG1-CD2 4.14Å; V412-L458 HydrophobicContact CG1-CG 3.7Å; V412-V532 HydrophobicContact CB-CB 4.36Å; V412-V532 HydrophobicContact CG1-CB 4.41Å; V412-V532 PolarHBondContact O-N 3.21Å; V412-A537 HydrophobicContact CB-CB 3.73Å; V412-A537 HydrophobicContact CG1-CB 4.06Å; V412-A537 HydrophobicContact CG2-CB 3.66Å
413	F	98.9	Very high	96.6	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148.1	-176.8	-61.6	-92.4	0	0	0	111.5	R411 R441 L442 A445 V455 Y456 L457 L458 Q530 E531	R411-F413 HydrophobicContact CB-CE2 3.78Å; R411-F413 HydrophobicContact CB-CZ 4.34Å; F413-R441 HydrophobicContact CE1-CG 3.98Å; F413-L442 HydrophobicContact CB-CD2 3.96Å; F413-L442 HydrophobicContact CD1-CD2 4.11Å; F413-L442 HydrophobicContact CD2-CD2 3.72Å; F413-L442 HydrophobicContact CE2-CD2 4.26Å; F413-L442 HydrophobicContact CG-CD2 3.65Å; F413-A445 HydrophobicContact CE2-CB 3.54Å; F413-A445 HydrophobicContact CZ-CB 3.5Å; F413-A445 VanDerWaalsContact CZ-CB 3.5Å; F413-V455 HydrophobicContact CD2-CG1 3.97Å; F413-V455 HydrophobicContact CE2-CG1 3.99Å; F413-Y456 PolarHBondContact N-O 2.7Å; F413-L457 HydrophobicContact CB-CD2 4.07Å; F413-L457 HydrophobicContact CD2-CD2 4.42Å; F413-L457 WeakPolarHBondContact O-CA 3.45Å; F413-L458 PolarHBondContact O-N 3.08Å; F413-Q530 CarbonylContact C-O 3.43Å; F413-Q530 VanDerWaalsContact CA-O 3.29Å; F413-Q530 WeakPolarHBondContact CA-O 3.37Å; F413-E531 HydrophobicContact CD1-CB 3.85Å; F413-E531 HydrophobicContact CD1-CG 4.23Å; F413-E531 HydrophobicContact CE1-CB 3.59Å; F413-E531 HydrophobicContact CE1-CG 3.75Å; F413-E531 HydrophobicContact CZ-CB 4.38Å; F413-E531 HydrophobicContact CZ-CG 4.04Å
414	I	98.9	Very high	96.6	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	133.4	167	-50.3	-54.4	0	0	0	109.1	K416 L458 F467 V523 T529 Q530 V532	I414-K416 HydrophobicContact CG2-CD 3.55Å; I414-K416 HydrophobicContact CG2-CG 4.1Å; I414-L458 HydrophobicContact CD1-CB 3.98Å; I414-L458 HydrophobicContact CD1-CD1 3.82Å; I414-L458 HydrophobicContact CD1-CG 4.4Å; I414-F467 HydrophobicContact CD1-CE1 3.96Å; I414-F467 HydrophobicContact CD1-CZ 4.06Å; I414-F467 HydrophobicContact CG2-CE1 4.13Å; I414-F467 HydrophobicContact CG2-CZ 4.26Å; I414-V523 HydrophobicContact CD1-CG2 3.78Å; I414-V523 HydrophobicContact CG1-CG2 4.42Å; I414-T529 VanDerWaalsContact O-CA 3.31Å; I414-T529 WeakPolarHBondContact O-CA 3.39Å; I414-T529 PolarHBondContact O-N 3.01Å; I414-Q530 HydrophobicContact CB-CB 4.3Å; I414-Q530 HydrophobicContact CG1-CB 4.24Å; I414-Q530 PolarHBondContact N-O 3.49Å; I414-V532 HydrophobicContact CD1-CG2 3.51Å; I414-V532 HydrophobicContact CG1-CG2 3.81Å
415	I	98.8	Very high	96.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.2	170.3	-61.5	-59.9	0	0	0	109.5	W432 L442 L457 L458 F459 S460 D528 T529	I415-W432 HydrophobicContact CG2-CD2 4.46Å; I415-W432 HydrophobicContact CG2-CH2 4.48Å; I415-W432 HydrophobicContact CG2-CZ2 3.53Å; I415-L442 HydrophobicContact CD1-CD1 3.93Å; I415-L457 HydrophobicContact CD1-CD2 4.23Å; I415-L457 HydrophobicContact CG1-CB 3.85Å; I415-L457 HydrophobicContact CG1-CD1 4.45Å; I415-L457 HydrophobicContact CG1-CD2 4.19Å; I415-L457 HydrophobicContact CG1-CG 4.38Å; I415-L458 PolarHBondContact N-O 2.87Å; I415-F459 HydrophobicContact CB-CD1 3.85Å; I415-F459 HydrophobicContact CB-CE1 3.94Å; I415-F459 HydrophobicContact CB-CG 4.25Å; I415-F459 HydrophobicContact CB-CZ 4.37Å; I415-F459 HydrophobicContact CG1-CE1 4.3Å; I415-F459 HydrophobicContact CG1-CZ 4.28Å; I415-F459 HydrophobicContact CG2-CD1 3.59Å; I415-F459 HydrophobicContact CG2-CE1 3.5Å; I415-F459 HydrophobicContact CG2-CG 4.46Å; I415-F459 HydrophobicContact CG2-CZ 4.29Å; I415-S460 PolarHBondContact O-N 3.36Å; I415-D528 WeakPolarHBondContact CA-OD1 3.27Å; I415-T529 HydrophobicContact CD1-CG2 4.16Å
416	K	98.2	Very high	96.7	Very high	30 Å²	30	35.6 Å²	35.6	13%	0.13	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	93.8	-176.8	-60	-53.3	-51.3	-57.1	0	111.5	I414 S460 N462 D528	I414-K416 HydrophobicContact CG2-CD 3.55Å; I414-K416 HydrophobicContact CG2-CG 4.1Å; K416-S460 WeakPolarHBondContact CA-O 3.49Å; K416-S460 WeakPolarHBondContact CE-O 3.49Å; K416-N462 WeakPolarHBondContact CE-OD1 3.42Å; K416-N462 PolarHBondContact NZ-OD1 2.82Å; K416-D528 HydrophobicContact CB-CB 4.05Å; K416-D528 HydrophobicContact CG-CB 4.46Å; K416-D528 PolarHBondContact N-OD1 3Å
417	S	96.7	Very high	96.7	Very high	4 Å²	4	32.9 Å²	32.9	3%	0.028	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	151.3	175.7	-169.3	0	0	0	0	112.2	S419 S460 N462	S417-S419 PolarHBondContact OG-N 2.86Å; S417-S419 PolarHBondContact OG-O 3.49Å; S417-S460 PolarHBondContact N-O 3.36Å; S417-N462 WeakPolarHBondContact O-CB 3.26Å; S417-N462 PolarHBondContact O-N 3.04Å; S417-N462 PolarHBondContact O-ND2 3.02Å; S417-N462 VanDerWaalsContact O-ND2 3.12Å
418	Y	92.6	Very high	96.7	Very high	160 Å²	160	34.2 Å²	34.2	63%	0.627	16%	0.155	S	C	*	.	S	Bend	trans	-92	-19.6	168.7	-70.8	-83.7	0	0	0	113.5	W491	Y418-W491 HydrophobicContact CD2-CH2 4.41Å; Y418-W491 HydrophobicContact CD2-CZ2 4.18Å; Y418-W491 HydrophobicContact CE2-CH2 4.33Å
419	S	93.8	Very high	96.8	Very high	23 Å²	23	32.1 Å²	32.1	16%	0.161	14%	0.144	C	C	.	.			trans	-132.1	149.7	173.9	-173.1	0	0	0	0	112.7	S417 D421	S417-S419 PolarHBondContact OG-N 2.86Å; S417-S419 PolarHBondContact OG-O 3.49Å; S419-D421 VanDerWaalsContact C-N 3.29Å; S419-D421 WeakPolarHBondContact OG-CB 3.45Å; S419-D421 VanDerWaalsContact OG-CG 3.28Å; S419-D421 PolarHBondContact OG-N 2.88Å; S419-D421 PolarHBondContact OG-OD2 2.94Å
420	E	96.2	Very high	96.9	Very high	76 Å²	76	28.1 Å²	28.1	36%	0.355	13%	0.127	S	C	.	.	H	α-helix	trans	-70.3	-27.8	165.4	-72.2	163.6	165.6	0	0	111	D422 I423 H424 V461 I553 Y560	E420-D422 VanDerWaalsContact C-N 3.29Å; E420-D422 PolarHBondContact O-N 2.97Å; E420-I423 WeakPolarHBondContact O-CB 3.44Å; E420-I423 PolarHBondContact O-N 3.2Å; E420-I423 VanDerWaalsContact O-N 3.09Å; E420-H424 PolarHBondContact O-N 2.9Å; E420-V461 HydrophobicContact CG-CB 4.34Å; E420-V461 HydrophobicContact CG-CG1 4.16Å; E420-V461 HydrophobicContact CG-CG2 3.83Å; E420-I553 WeakPolarHBondContact O-CD1 3.25Å; E420-Y560 HydrophobicContact CB-CE1 4Å; E420-Y560 VanDerWaalsContact CB-OH 3.26Å; E420-Y560 WeakPolarHBondContact CB-OH 3.39Å; E420-Y560 PolarHBondContact OE2-OH 3.46Å
421	D	95.4	Very high	96.9	Very high	19 Å²	19	28.1 Å²	28.1	10%	0.102	12%	0.124	C	C	.	.	H	α-helix	trans	-60.8	-38.4	174.9	-48.2	-64.8	0	0	0	111.9	S419 I423 H424 R425 Y560 R563	S419-D421 VanDerWaalsContact C-N 3.29Å; S419-D421 WeakPolarHBondContact OG-CB 3.45Å; S419-D421 VanDerWaalsContact OG-CG 3.28Å; S419-D421 PolarHBondContact OG-N 2.88Å; S419-D421 PolarHBondContact OG-OD2 2.94Å; D421-I423 VanDerWaalsContact C-N 3.33Å; D421-H424 PolarHBondContact O-N 3.13Å; D421-R425 WeakPolarHBondContact O-CB 3.41Å; D421-R425 WeakPolarHBondContact O-CG 3.4Å; D421-R425 PolarHBondContact O-N 3.37Å; D421-R425 PolarHBondContact O-NE 3.21Å; D421-Y560 VanDerWaalsContact OD1-CD1 3.3Å; D421-Y560 WeakPolarHBondContact OD1-CD1 3.18Å; D421-Y560 WeakPolarHBondContact OD1-CE1 3.37Å; D421-R563 WeakPolarHBondContact OD1-CD 3.4Å; D421-R563 IonicContact OD1-CZ 2.68Å; D421-R563 IonicContact OD1-NE 3.78Å; D421-R563 IonicContact OD1-NH1 2.75Å; D421-R563 PolarHBondContact OD1-NH1 2.68Å; D421-R563 IonicContact OD2-NH1 3.82Å
422	D	95.8	Very high	96.9	Very high	6 Å²	6	25.5 Å²	25.5	3%	0.032	11%	0.114	C	C	.	.	H	α-helix	trans	-69.3	-32.3	177.3	-67.9	-50.8	0	0	0	111.5	E420 S426 W432 W486 S487	E420-D422 VanDerWaalsContact C-N 3.29Å; E420-D422 PolarHBondContact O-N 2.97Å; D422-S426 VanDerWaalsContact O-CB 3.25Å; D422-S426 WeakPolarHBondContact O-CB 3.37Å; D422-S426 PolarHBondContact O-N 2.79Å; D422-W432 HydrophobicContact CB-CH2 4.22Å; D422-W432 HydrophobicContact CB-CZ3 4.26Å; D422-W486 HydrophobicContact CB-CE3 4.34Å; D422-W486 WeakPolarHBondContact OD1-CA 3.31Å; D422-S487 WeakPolarHBondContact OD1-CB 3.18Å; D422-S487 PolarHBondContact OD1-N 3.45Å; D422-S487 PolarHBondContact OD1-OG 3.35Å; D422-S487 WeakPolarHBondContact OD2-CB 3.41Å; D422-S487 PolarHBondContact OD2-OG 2.92Å
423	I	97.5	Very high	96.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-67	-47.6	172.8	-58	-63.3	0	0	0	110	E420 D421 R425 S426 I427 W432 F459 V461 W499 I553	E420-I423 WeakPolarHBondContact O-CB 3.44Å; E420-I423 PolarHBondContact O-N 3.2Å; E420-I423 VanDerWaalsContact O-N 3.09Å; D421-I423 VanDerWaalsContact C-N 3.33Å; I423-R425 PolarHBondContact O-N 2.68Å; I423-S426 WeakPolarHBondContact O-CB 3.31Å; I423-S426 PolarHBondContact O-N 3.28Å; I423-I427 HydrophobicContact CG2-CD1 3.93Å; I423-I427 WeakPolarHBondContact O-CG1 3.49Å; I423-I427 PolarHBondContact O-N 3.2Å; I423-W432 HydrophobicContact CD1-CH2 4.04Å; I423-W432 HydrophobicContact CD1-CZ3 4.15Å; I423-F459 HydrophobicContact CD1-CB 4.31Å; I423-F459 HydrophobicContact CD1-CD1 3.62Å; I423-F459 HydrophobicContact CD1-CE1 4.4Å; I423-F459 HydrophobicContact CD1-CG 4.36Å; I423-V461 HydrophobicContact CD1-CG2 4.43Å; I423-V461 HydrophobicContact CG1-CG2 3.78Å; I423-W499 HydrophobicContact CD1-CH2 4.39Å; I423-W499 HydrophobicContact CG2-CH2 3.82Å; I423-W499 HydrophobicContact CG2-CZ2 4.24Å; I423-I553 HydrophobicContact CB-CD1 3.84Å; I423-I553 HydrophobicContact CG2-CD1 3.74Å
424	H	97	Very high	96.5	Very high	2 Å²	2	26 Å²	26	1%	0.009	12%	0.117	C	C	.	.	H	α-helix	trans	-55.8	-51.3	175.2	167	-106.3	0	0	0	111.4	E420 D421 S426 I427 K428 I553 F557 Y560 E561	E420-H424 PolarHBondContact O-N 2.9Å; D421-H424 PolarHBondContact O-N 3.13Å; H424-S426 VanDerWaalsContact C-N 3.3Å; H424-S426 PolarHBondContact O-N 3.49Å; H424-I427 PolarHBondContact O-N 2.88Å; H424-I427 VanDerWaalsContact O-N 3.15Å; H424-K428 WeakPolarHBondContact O-CB 3.44Å; H424-K428 PolarHBondContact O-N 3.41Å; H424-I553 HydrophobicContact CB-CD1 4Å; H424-F557 AromaticContact CD2-CD2 3.71Å; H424-F557 AromaticContact CD2-CE2 3.5Å; H424-F557 AromaticContact CD2-CZ 3.91Å; H424-F557 AromaticContact NE2-CD2 3.96Å; H424-F557 AromaticContact NE2-CE1 3.77Å; H424-F557 AromaticContact NE2-CE2 3.56Å; H424-F557 AromaticContact NE2-CZ 3.45Å; H424-F557 WeakPolarHBondContact NE2-CZ 3.38Å; H424-Y560 HydrophobicContact CB-CD1 4.35Å; H424-Y560 HydrophobicContact CB-CD2 4.43Å; H424-Y560 HydrophobicContact CB-CG 3.98Å; H424-E561 IonicContact CE1-OE1 2.74Å; H424-E561 PolarHBondContact CE1-OE1 3.01Å; H424-E561 IonicContact NE2-OE1 2.98Å; H424-E561 PolarHBondContact NE2-OE1 3.49Å
425	R	95.8	Very high	96.2	Very high	11 Å²	11	28.7 Å²	28.7	4%	0.042	13%	0.134	C	C	.	.	H	α-helix	trans	-62.2	-36.7	178.7	-66.2	171.7	-137.1	-152.8	-5.8	111.5	D421 I423 K428 Y429 V485 E567	D421-R425 WeakPolarHBondContact O-CB 3.41Å; D421-R425 WeakPolarHBondContact O-CG 3.4Å; D421-R425 PolarHBondContact O-N 3.37Å; D421-R425 PolarHBondContact O-NE 3.21Å; I423-R425 PolarHBondContact O-N 2.68Å; R425-K428 PolarHBondContact O-N 3.44Å; R425-Y429 HydrophobicContact CB-CD2 4.33Å; R425-Y429 WeakPolarHBondContact O-CB 3.24Å; R425-Y429 VanDerWaalsContact O-CD2 3.23Å; R425-Y429 WeakPolarHBondContact O-CD2 3.36Å; R425-Y429 PolarHBondContact O-N 3.32Å; R425-V485 WeakPolarHBondContact CD-O 3.36Å; R425-V485 PolarHBondContact NH1-O 3.34Å; R425-E567 IonicContact CZ-OE2 3.44Å; R425-E567 IonicContact NH1-OE2 2.81Å; R425-E567 PolarHBondContact NH1-OE2 3.15Å; R425-E567 IonicContact NH2-OE1 3.27Å; R425-E567 PolarHBondContact NH2-OE1 3.1Å; R425-E567 IonicContact NH2-OE2 3.14Å; R425-E567 PolarHBondContact NH2-OE2 2.92Å
426	S	97.7	Very high	96	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.4	-42.4	173.3	-175.3	0	0	0	0	113.3	D422 I423 H424 N430 I431 W499	D422-S426 VanDerWaalsContact O-CB 3.25Å; D422-S426 WeakPolarHBondContact O-CB 3.37Å; D422-S426 PolarHBondContact O-N 2.79Å; I423-S426 WeakPolarHBondContact O-CB 3.31Å; I423-S426 PolarHBondContact O-N 3.28Å; H424-S426 VanDerWaalsContact C-N 3.3Å; H424-S426 PolarHBondContact O-N 3.49Å; S426-N430 VanDerWaalsContact O-CA 3.25Å; S426-N430 WeakPolarHBondContact O-CA 3.26Å; S426-N430 PolarHBondContact O-N 3.33Å; S426-I431 WeakPolarHBondContact CA-O 3.45Å; S426-I431 VanDerWaalsContact CB-O 3.28Å; S426-I431 WeakPolarHBondContact CB-O 3.36Å; S426-I431 PolarHBondContact O-N 3.23Å; S426-I431 PolarHBondContact OG-O 3.49Å; S426-W499 PolarHBondContact O-NE1 2.86Å; S426-W499 PolarHBondContact OG-NE1 2.89Å
427	I	97.5	Very high	95.8	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-69	-41.6	177.4	-64.9	162.7	0	0	0	110.7	I423 H424 W499 V502 I553 F554	I423-I427 HydrophobicContact CG2-CD1 3.93Å; I423-I427 WeakPolarHBondContact O-CG1 3.49Å; I423-I427 PolarHBondContact O-N 3.2Å; H424-I427 PolarHBondContact O-N 2.88Å; H424-I427 VanDerWaalsContact O-N 3.15Å; I427-W499 HydrophobicContact CD1-CD2 4.4Å; I427-W499 HydrophobicContact CD1-CE3 4.39Å; I427-W499 HydrophobicContact CD1-CZ3 4.45Å; I427-W499 HydrophobicContact CG1-CD2 3.55Å; I427-W499 VanDerWaalsContact CG1-CE2 3.5Å; I427-W499 HydrophobicContact CG1-CE3 4.02Å; I427-W499 HydrophobicContact CG1-CG 3.84Å; I427-W499 HydrophobicContact CG1-CH2 4.35Å; I427-W499 HydrophobicContact CG1-CZ2 3.94Å; I427-W499 HydrophobicContact CG1-CZ3 4.39Å; I427-V502 HydrophobicContact CD1-CG1 3.9Å; I427-V502 HydrophobicContact CD1-CG2 4.12Å; I427-V502 HydrophobicContact CG1-CG2 4.42Å; I427-I553 HydrophobicContact CD1-CG2 3.56Å; I427-F554 HydrophobicContact CG2-CE1 3.97Å
428	K	96.1	Very high	95.9	Very high	39 Å²	39	38.7 Å²	38.7	17%	0.17	18%	0.18	C	C	.	.	H	α-helix	trans	-65.3	-39.3	179.7	-177.6	176.4	177.1	-178.8	0	113.3	V388 H424 R425 E561	V388-K428 HydrophobicContact CG1-CG 4.32Å; H424-K428 WeakPolarHBondContact O-CB 3.44Å; H424-K428 PolarHBondContact O-N 3.41Å; R425-K428 PolarHBondContact O-N 3.44Å; K428-E561 WeakPolarHBondContact CD-OE1 3.39Å; K428-E561 WeakPolarHBondContact CE-OE1 3.29Å; K428-E561 IonicContact NZ-OE1 3.98Å; K428-E561 PolarHBondContact NZ-OE1 3.21Å; K428-E561 IonicContact NZ-OE2 2.6Å
429	Y	95.9	Very high	96.1	Very high	90 Å²	90	31.1 Å²	31.1	35%	0.353	15%	0.15	S	C	.	.	H	α-helix	trans	-108.3	-2.2	-174	-62.5	-64	0	0	0	114.8	R425 I431 V485 Q564	R425-Y429 HydrophobicContact CB-CD2 4.33Å; R425-Y429 WeakPolarHBondContact O-CB 3.24Å; R425-Y429 VanDerWaalsContact O-CD2 3.23Å; R425-Y429 WeakPolarHBondContact O-CD2 3.36Å; R425-Y429 PolarHBondContact O-N 3.32Å; Y429-I431 VanDerWaalsContact C-N 3.32Å; Y429-I431 PolarHBondContact O-N 3.42Å; Y429-V485 HydrophobicContact CD2-CG1 4.31Å; Y429-V485 HydrophobicContact CD2-CG2 4.46Å; Y429-V485 HydrophobicContact CE2-CB 4.45Å; Y429-V485 HydrophobicContact CE2-CG1 4.07Å; Y429-Q564 PolarHBondContact OH-NE2 2.74Å
430	N	97.4	Very high	96.3	Very high	47 Å²	47	35.2 Å²	35.2	25%	0.251	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	43.4	-177.5	-85.5	-18.4	0	0	0	113.4	S426 D496 V497	S426-N430 VanDerWaalsContact O-CA 3.25Å; S426-N430 WeakPolarHBondContact O-CA 3.26Å; S426-N430 PolarHBondContact O-N 3.33Å; N430-D496 CarbonylContact O-C 3.48Å; N430-D496 WeakPolarHBondContact O-CA 3.39Å; N430-V497 CarbonylContact C-O 3.42Å; N430-V497 WeakPolarHBondContact CA-O 3.44Å; N430-V497 WeakPolarHBondContact CB-O 3.33Å; N430-V497 PolarHBondContact O-N 3.44Å; N430-V497 PolarHBondContact OD1-O 3.2Å
431	I	97.3	Very high	96.3	Very high	15 Å²	15	36.1 Å²	36.1	8%	0.077	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	159.4	-179.6	55.9	168.4	0	0	0	112.4	S426 Y429 A483 V485 W486 R494 F495 D496	S426-I431 WeakPolarHBondContact CA-O 3.45Å; S426-I431 VanDerWaalsContact CB-O 3.28Å; S426-I431 WeakPolarHBondContact CB-O 3.36Å; S426-I431 PolarHBondContact O-N 3.23Å; S426-I431 PolarHBondContact OG-O 3.49Å; Y429-I431 VanDerWaalsContact C-N 3.32Å; Y429-I431 PolarHBondContact O-N 3.42Å; I431-A483 HydrophobicContact CD1-CB 3.97Å; I431-V485 HydrophobicContact CD1-CG2 4.05Å; I431-W486 HydrophobicContact CD1-CH2 4.15Å; I431-W486 HydrophobicContact CD1-CZ2 3.98Å; I431-W486 HydrophobicContact CG1-CH2 3.94Å; I431-W486 HydrophobicContact CG1-CZ2 4.18Å; I431-R494 HydrophobicContact CB-CG 3.97Å; I431-R494 HydrophobicContact CD1-CG 4.18Å; I431-R494 HydrophobicContact CG2-CG 3.98Å; I431-F495 CarbonylContact C-O 3.55Å; I431-F495 VanDerWaalsContact CA-O 3.31Å; I431-F495 WeakPolarHBondContact CA-O 3.39Å; I431-D496 WeakPolarHBondContact CG2-OD1 2.92Å
432	W	97.8	Very high	96.5	Very high	12 Å²	12	35.2 Å²	35.2	5%	0.045	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	163	168.3	-166.8	-106.5	0	0	0	112.5	I415 D422 I423 F459 W486 F495 V497	I415-W432 HydrophobicContact CG2-CD2 4.46Å; I415-W432 HydrophobicContact CG2-CH2 4.48Å; I415-W432 HydrophobicContact CG2-CZ2 3.53Å; D422-W432 HydrophobicContact CB-CH2 4.22Å; D422-W432 HydrophobicContact CB-CZ3 4.26Å; I423-W432 HydrophobicContact CD1-CH2 4.04Å; I423-W432 HydrophobicContact CD1-CZ3 4.15Å; W432-F459 AromaticContact CD2-CE1 3.68Å; W432-F459 HydrophobicContact CD2-CE1 3.68Å; W432-F459 HydrophobicContact CD2-CZ 4.24Å; W432-F459 AromaticContact CE2-CE1 3.88Å; W432-F459 AromaticContact CE3-CE1 3.72Å; W432-F459 HydrophobicContact CE3-CE1 3.72Å; W432-F459 HydrophobicContact CE3-CZ 4.42Å; W432-F459 HydrophobicContact CG-CE1 4.26Å; W432-F459 HydrophobicContact CG-CZ 4.39Å; W432-F459 HydrophobicContact CH2-CE1 4.19Å; W432-F459 HydrophobicContact CZ2-CE1 4.14Å; W432-F459 AromaticContact CZ3-CE1 3.97Å; W432-F459 HydrophobicContact CZ3-CE1 3.97Å; W432-W486 HydrophobicContact CE3-CH2 4.31Å; W432-W486 HydrophobicContact CE3-CZ3 4.28Å; W432-W486 HydrophobicContact CZ3-CZ3 4.4Å; W432-F495 HydrophobicContact CB-CD2 4.44Å; W432-F495 HydrophobicContact CB-CE1 4.24Å; W432-F495 HydrophobicContact CB-CE2 3.81Å; W432-F495 HydrophobicContact CB-CZ 3.73Å; W432-F495 AromaticContact CD1-CZ 3.6Å; W432-F495 HydrophobicContact CG-CZ 4.05Å; W432-F495 PolarHBondContact N-O 2.8Å; W432-F495 PolarHBondContact O-N 2.6Å; W432-F495 VanDerWaalsContact O-N 3.13Å; W432-V497 HydrophobicContact CB-CG1 3.95Å
433	C	95.6	Very high	96.6	Very high	7 Å²	7	35.6 Å²	35.6	5%	0.047	16%	0.163	C	C	.	.			trans	-146.5	133.4	166.9	-172.2	0	0	0	0	109.6	N439 W486 W491 K492 G493	C433-N439 PolarHBondContact SG-ND2 2.81Å; C433-N439 VanDerWaalsContact SG-ND2 3.42Å; C433-W486 HydrophobicContact CB-CZ2 3.85Å; C433-W491 HydrophobicContact CB-CB 4.39Å; C433-K492 PolarHBondContact SG-O 2.88Å; C433-K492 VanDerWaalsContact SG-O 3.38Å; C433-G493 WeakPolarHBondContact CB-O 3.33Å; C433-G493 PolarHBondContact SG-O 3.21Å
434	S	94.1	Very high	96.6	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.021	19%	0.185	C	C	.	.			trans	-105.4	-174.6	170.8	173.6	0	0	0	0	109.9	G438 N439 D528	S434-G438 WeakPolarHBondContact OG-CA 3.38Å; S434-N439 WeakPolarHBondContact CB-OD1 3.42Å; S434-N439 PolarHBondContact N-OD1 3.12Å; S434-N439 PolarHBondContact O-ND2 2.76Å; S434-D528 PolarHBondContact OG-OD2 3.19Å
435	T	93	Very high	96.7	Very high	57 Å²	57	38.2 Å²	38.2	35%	0.35	19%	0.185	S	C	.	.			trans	-52.1	158.5	162.2	62.7	0	0	0	0	111.5	H437 G438 N439 W491	T435-H437 PolarHBondContact O-N 2.72Å; T435-G438 PolarHBondContact O-N 3.29Å; T435-G438 VanDerWaalsContact O-N 3.07Å; T435-G438 PolarHBondContact OG1-N 2.91Å; T435-N439 WeakPolarHBondContact O-CB 3.34Å; T435-N439 PolarHBondContact O-N 3.03Å; T435-W491 HydrophobicContact CG2-CH2 4.3Å; T435-W491 HydrophobicContact CG2-CZ3 3.83Å
436	E	93.6	Very high	96.8	Very high	125 Å²	125	41.1 Å²	41.1	58%	0.584	20%	0.196	S	C	*	.	H	α-helix	trans	-55.5	-39.2	175.6	-167	-166	150.6	0	0	112.5	K440	E436-K440 VanDerWaalsContact O-CG 3.31Å; E436-K440 WeakPolarHBondContact O-CG 3.41Å; E436-K440 PolarHBondContact O-N 3.1Å; E436-K440 VanDerWaalsContact OE1-CE 3.24Å; E436-K440 WeakPolarHBondContact OE1-CE 3.49Å; E436-K440 IonicContact OE1-NZ 3.78Å; E436-K440 PolarHBondContact OE1-NZ 2.83Å
437	H	95.3	Very high	96.8	Very high	120 Å²	120	47.9 Å²	47.9	56%	0.556	22%	0.222	S	C	*	.	H	α-helix	trans	-64.4	-46	175	-177.7	91.7	0	0	0	112	T435 K440 R441	T435-H437 PolarHBondContact O-N 2.72Å; H437-K440 PolarHBondContact O-N 3.5Å; H437-R441 PolarHBondContact NE2-NH2 3.28Å; H437-R441 PolarHBondContact O-N 3.28Å
438	G	97.6	Very high	96.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.8	-43.3	178.5	0	0	0	0	0	112.5	S434 T435 K440 R441 L442 T529	S434-G438 WeakPolarHBondContact OG-CA 3.38Å; T435-G438 PolarHBondContact O-N 3.29Å; T435-G438 VanDerWaalsContact O-N 3.07Å; T435-G438 PolarHBondContact OG1-N 2.91Å; G438-K440 VanDerWaalsContact C-N 3.34Å; G438-K440 PolarHBondContact O-N 2.87Å; G438-R441 PolarHBondContact O-N 2.87Å; G438-R441 VanDerWaalsContact O-N 3.13Å; G438-L442 WeakPolarHBondContact O-CB 3.35Å; G438-L442 VanDerWaalsContact O-CG 3.31Å; G438-L442 WeakPolarHBondContact O-CG 3.35Å; G438-L442 PolarHBondContact O-N 2.94Å; G438-T529 VanDerWaalsContact CA-CG2 3.45Å
439	N	97.2	Very high	96.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-55.7	-46.9	172.5	-75.7	-16.4	0	0	0	111.2	C433 S434 T435 R441 L442 D443 V477 Y479 K492	C433-N439 PolarHBondContact SG-ND2 2.81Å; C433-N439 VanDerWaalsContact SG-ND2 3.42Å; S434-N439 WeakPolarHBondContact CB-OD1 3.42Å; S434-N439 PolarHBondContact N-OD1 3.12Å; S434-N439 PolarHBondContact O-ND2 2.76Å; T435-N439 WeakPolarHBondContact O-CB 3.34Å; T435-N439 PolarHBondContact O-N 3.03Å; N439-R441 PolarHBondContact O-N 2.73Å; N439-L442 PolarHBondContact O-N 3.05Å; N439-D443 VanDerWaalsContact O-CB 3.28Å; N439-D443 WeakPolarHBondContact O-CB 3.21Å; N439-D443 PolarHBondContact O-N 2.87Å; N439-V477 HydrophobicContact CB-CG1 4.21Å; N439-Y479 HydrophobicContact CB-CE1 3.91Å; N439-Y479 PolarHBondContact O-OH 3.37Å; N439-K492 PolarHBondContact ND2-O 2.99Å; N439-K492 VanDerWaalsContact ND2-O 3.15Å
440	K	97.6	Very high	96.8	Very high	109 Å²	109	52.2 Å²	52.2	47%	0.474	26%	0.258	S	S	.	.	H	α-helix	trans	-59.6	-41.7	174.6	-73.4	172.3	-174.2	174.1	0	113	E436 H437 G438 A444 Y479	E436-K440 VanDerWaalsContact O-CG 3.31Å; E436-K440 WeakPolarHBondContact O-CG 3.41Å; E436-K440 PolarHBondContact O-N 3.1Å; E436-K440 VanDerWaalsContact OE1-CE 3.24Å; E436-K440 WeakPolarHBondContact OE1-CE 3.49Å; E436-K440 IonicContact OE1-NZ 3.78Å; E436-K440 PolarHBondContact OE1-NZ 2.83Å; H437-K440 PolarHBondContact O-N 3.5Å; G438-K440 VanDerWaalsContact C-N 3.34Å; G438-K440 PolarHBondContact O-N 2.87Å; K440-A444 VanDerWaalsContact O-CB 3.28Å; K440-A444 WeakPolarHBondContact O-CB 3.48Å; K440-A444 PolarHBondContact O-N 3.34Å; K440-A444 VanDerWaalsContact O-N 3.09Å; K440-Y479 WeakPolarHBondContact CA-OH 3.17Å; K440-Y479 HydrophobicContact CG-CE1 4.1Å
441	R	98	Very high	96.6	Very high	96 Å²	96	53.9 Å²	53.9	36%	0.362	29%	0.286	S	S	.	.	H	α-helix	trans	-65.5	-44.5	176.7	179.7	174.3	-71.4	173.8	0.4	112.3	F413 H437 G438 N439 A445 T529	F413-R441 HydrophobicContact CE1-CG 3.98Å; H437-R441 PolarHBondContact NE2-NH2 3.28Å; H437-R441 PolarHBondContact O-N 3.28Å; G438-R441 PolarHBondContact O-N 2.87Å; G438-R441 VanDerWaalsContact O-N 3.13Å; N439-R441 PolarHBondContact O-N 2.73Å; R441-A445 WeakPolarHBondContact O-CB 3.19Å; R441-A445 PolarHBondContact O-N 2.75Å; R441-T529 WeakPolarHBondContact CD-O 3.24Å; R441-T529 PolarHBondContact NH1-O 2.97Å
442	L	98.5	Very high	96.4	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-70.5	-40.6	-179.4	-66.5	176.4	0	0	0	112	F413 I415 G438 N439 A445 Y446 L457 M473 F495 T529	F413-L442 HydrophobicContact CB-CD2 3.96Å; F413-L442 HydrophobicContact CD1-CD2 4.11Å; F413-L442 HydrophobicContact CD2-CD2 3.72Å; F413-L442 HydrophobicContact CE2-CD2 4.26Å; F413-L442 HydrophobicContact CG-CD2 3.65Å; I415-L442 HydrophobicContact CD1-CD1 3.93Å; G438-L442 WeakPolarHBondContact O-CB 3.35Å; G438-L442 VanDerWaalsContact O-CG 3.31Å; G438-L442 WeakPolarHBondContact O-CG 3.35Å; G438-L442 PolarHBondContact O-N 2.94Å; N439-L442 PolarHBondContact O-N 3.05Å; L442-A445 WeakPolarHBondContact O-CB 3.33Å; L442-A445 PolarHBondContact O-N 2.8Å; L442-Y446 WeakPolarHBondContact O-CB 3.48Å; L442-Y446 PolarHBondContact O-N 2.91Å; L442-L457 HydrophobicContact CD2-CD2 3.75Å; L442-M473 HydrophobicContact CB-CE 4.24Å; L442-M473 HydrophobicContact CB-SD 4.07Å; L442-F495 HydrophobicContact CD1-CE1 3.99Å; L442-F495 HydrophobicContact CD1-CZ 3.64Å; L442-T529 HydrophobicContact CD1-CG2 3.93Å; L442-T529 HydrophobicContact CD2-CG2 4.38Å; L442-T529 HydrophobicContact CG-CG2 3.99Å
443	D	98.2	Very high	96.3	Very high	13 Å²	13	61.5 Å²	61.5	7%	0.07	33%	0.327	C	S	.	.	H	α-helix	trans	-63.6	-45.1	175.7	-164.4	42.6	0	0	0	111.6	N439 A445 Y446 R447 A476 V477 Y479	N439-D443 VanDerWaalsContact O-CB 3.28Å; N439-D443 WeakPolarHBondContact O-CB 3.21Å; N439-D443 PolarHBondContact O-N 2.87Å; D443-A445 VanDerWaalsContact C-N 3.29Å; D443-A445 PolarHBondContact O-N 3.28Å; D443-Y446 PolarHBondContact O-N 3.04Å; D443-R447 WeakPolarHBondContact O-CB 3.49Å; D443-R447 VanDerWaalsContact O-CG 3.27Å; D443-R447 WeakPolarHBondContact O-CG 3.41Å; D443-R447 PolarHBondContact O-N 3.47Å; D443-R447 IonicContact OD1-CZ 3.71Å; D443-R447 IonicContact OD1-NE 2.71Å; D443-R447 PolarHBondContact OD1-NE 3.19Å; D443-R447 VanDerWaalsContact OD1-NE 3.14Å; D443-R447 IonicContact OD1-NH2 3.66Å; D443-R447 PolarHBondContact OD1-NH2 3.19Å; D443-R447 VanDerWaalsContact OD1-NH2 3.1Å; D443-R447 IonicContact OD2-CZ 3.4Å; D443-R447 VanDerWaalsContact OD2-CZ 3.28Å; D443-R447 IonicContact OD2-NE 3.22Å; D443-R447 PolarHBondContact OD2-NE 2.99Å; D443-R447 IonicContact OD2-NH2 2.99Å; D443-R447 PolarHBondContact OD2-NH2 3.2Å; D443-A476 WeakPolarHBondContact OD1-CA 3.24Å; D443-A476 WeakPolarHBondContact OD1-CB 3.18Å; D443-V477 HydrophobicContact CB-CB 4.01Å; D443-V477 HydrophobicContact CB-CG2 3.65Å; D443-V477 PolarHBondContact OD1-N 2.72Å; D443-Y479 VanDerWaalsContact CB-OH 3.22Å; D443-Y479 WeakPolarHBondContact CB-OH 3.34Å; D443-Y479 PolarHBondContact OD2-OH 3.23Å
444	A	98.4	Very high	96.4	Very high	57 Å²	57	62.2 Å²	62.2	47%	0.471	33%	0.331	S	S	.	.	H	α-helix	trans	-60	-40	173.1	0	0	0	0	0	111.7	K440 S448	K440-A444 VanDerWaalsContact O-CB 3.28Å; K440-A444 WeakPolarHBondContact O-CB 3.48Å; K440-A444 PolarHBondContact O-N 3.34Å; K440-A444 VanDerWaalsContact O-N 3.09Å; A444-S448 WeakPolarHBondContact O-CB 3.38Å; A444-S448 PolarHBondContact O-N 2.82Å; A444-S448 PolarHBondContact O-OG 2.93Å
445	A	98.3	Very high	96.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-64.6	-49.7	175.8	0	0	0	0	0	112.3	F413 R441 L442 D443 R447 S448 M449	F413-A445 HydrophobicContact CE2-CB 3.54Å; F413-A445 HydrophobicContact CZ-CB 3.5Å; F413-A445 VanDerWaalsContact CZ-CB 3.5Å; R441-A445 WeakPolarHBondContact O-CB 3.19Å; R441-A445 PolarHBondContact O-N 2.75Å; L442-A445 WeakPolarHBondContact O-CB 3.33Å; L442-A445 PolarHBondContact O-N 2.8Å; D443-A445 VanDerWaalsContact C-N 3.29Å; D443-A445 PolarHBondContact O-N 3.28Å; A445-R447 PolarHBondContact O-N 3.28Å; A445-S448 WeakPolarHBondContact CA-OG 3.27Å; A445-S448 PolarHBondContact O-N 2.68Å; A445-S448 PolarHBondContact O-OG 3.25Å; A445-M449 PolarHBondContact O-N 3.03Å; A445-M449 VanDerWaalsContact O-N 3.08Å
446	Y	98.4	Very high	96.9	Very high	73 Å²	73	60.5 Å²	60.5	29%	0.286	32%	0.318	S	S	.	.	H	α-helix	trans	-59.4	-47.5	178.7	-172.8	-101	0	0	0	112.1	L442 D443 M449 N450 V455 M473 K474 S475 A476	L442-Y446 WeakPolarHBondContact O-CB 3.48Å; L442-Y446 PolarHBondContact O-N 2.91Å; D443-Y446 PolarHBondContact O-N 3.04Å; Y446-M449 PolarHBondContact O-N 3.19Å; Y446-N450 PolarHBondContact O-N 2.85Å; Y446-V455 HydrophobicContact CD2-CG2 4.48Å; Y446-M473 HydrophobicContact CD2-CB 4.17Å; Y446-M473 HydrophobicContact CD2-CG 3.75Å; Y446-M473 HydrophobicContact CD2-SD 4.21Å; Y446-M473 HydrophobicContact CE2-CG 4.33Å; Y446-M473 WeakPolarHBondContact CE2-O 3.36Å; Y446-M473 HydrophobicContact CG-CE 4.11Å; Y446-M473 HydrophobicContact CG-CG 4.28Å; Y446-M473 HydrophobicContact CG-SD 4.28Å; Y446-K474 PolarHBondContact OH-O 2.72Å; Y446-K474 VanDerWaalsContact OH-O 3.05Å; Y446-S475 VanDerWaalsContact CE1-C 3.46Å; Y446-A476 HydrophobicContact CD1-CB 4.04Å; Y446-A476 HydrophobicContact CE1-CB 4.3Å
447	R	97.9	Very high	97.1	Very high	141 Å²	141	54.6 Å²	54.6	53%	0.532	29%	0.29	S	S	.	.	H	α-helix	trans	-63.2	-41.3	175.1	-66	178	-160.7	-85	-1.5	112	D443 A445 M449 N450	D443-R447 WeakPolarHBondContact O-CB 3.49Å; D443-R447 VanDerWaalsContact O-CG 3.27Å; D443-R447 WeakPolarHBondContact O-CG 3.41Å; D443-R447 PolarHBondContact O-N 3.47Å; D443-R447 IonicContact OD1-CZ 3.71Å; D443-R447 IonicContact OD1-NE 2.71Å; D443-R447 PolarHBondContact OD1-NE 3.19Å; D443-R447 VanDerWaalsContact OD1-NE 3.14Å; D443-R447 IonicContact OD1-NH2 3.66Å; D443-R447 PolarHBondContact OD1-NH2 3.19Å; D443-R447 VanDerWaalsContact OD1-NH2 3.1Å; D443-R447 IonicContact OD2-CZ 3.4Å; D443-R447 VanDerWaalsContact OD2-CZ 3.28Å; D443-R447 IonicContact OD2-NE 3.22Å; D443-R447 PolarHBondContact OD2-NE 2.99Å; D443-R447 IonicContact OD2-NH2 2.99Å; D443-R447 PolarHBondContact OD2-NH2 3.2Å; A445-R447 PolarHBondContact O-N 3.28Å; R447-M449 VanDerWaalsContact C-N 3.27Å; R447-M449 PolarHBondContact O-N 2.97Å; R447-N450 PolarHBondContact O-N 3.16Å; R447-N450 VanDerWaalsContact O-N 3.12Å
448	S	97.4	Very high	97.3	Very high	70 Å²	70	48.9 Å²	48.9	49%	0.49	26%	0.264	S	S	.	.	H	α-helix	trans	-62.6	-31	178.3	72.4	0	0	0	0	113.6	R411 A444 A445	R411-S448 PolarHBondContact NH1-OG 3.46Å; A444-S448 WeakPolarHBondContact O-CB 3.38Å; A444-S448 PolarHBondContact O-N 2.82Å; A444-S448 PolarHBondContact O-OG 2.93Å; A445-S448 WeakPolarHBondContact CA-OG 3.27Å; A445-S448 PolarHBondContact O-N 2.68Å; A445-S448 PolarHBondContact O-OG 3.25Å
449	M	96	Very high	97.4	Very high	23 Å²	23	48.9 Å²	48.9	11%	0.113	26%	0.264	C	S	.	.	H	α-helix	trans	-71.2	-30.9	175.5	-72.7	-54.8	-56.9	0	0	112.5	R411 A445 Y446 R447 G451 K452 V455	R411-M449 HydrophobicContact CG-CG 4.36Å; R411-M449 HydrophobicContact CG-SD 3.85Å; A445-M449 PolarHBondContact O-N 3.03Å; A445-M449 VanDerWaalsContact O-N 3.08Å; Y446-M449 PolarHBondContact O-N 3.19Å; R447-M449 VanDerWaalsContact C-N 3.27Å; R447-M449 PolarHBondContact O-N 2.97Å; M449-G451 PolarHBondContact O-N 2.92Å; M449-G451 VanDerWaalsContact O-N 3.1Å; M449-K452 VanDerWaalsContact O-CB 3.24Å; M449-K452 WeakPolarHBondContact O-CB 3.17Å; M449-K452 WeakPolarHBondContact O-CG 3.47Å; M449-K452 PolarHBondContact O-N 3.38Å; M449-V455 HydrophobicContact CB-CG2 4.41Å; M449-V455 HydrophobicContact CG-CG2 3.69Å
450	N	94.7	Very high	97.4	Very high	128 Å²	128	49 Å²	49	68%	0.684	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	43.9	177	-162.4	96.8	0	0	0	113	Y446 R447 K452	Y446-N450 PolarHBondContact O-N 2.85Å; R447-N450 PolarHBondContact O-N 3.16Å; R447-N450 VanDerWaalsContact O-N 3.12Å; N450-K452 PolarHBondContact O-N 2.86Å
451	G	92.9	Very high	97.5	Very high	82 Å²	82	44.3 Å²	44.3	85%	0.845	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	-0.6	-178.2	0	0	0	0	0	116.6	M449 G453	M449-G451 PolarHBondContact O-N 2.92Å; M449-G451 VanDerWaalsContact O-N 3.1Å; G451-G453 PolarHBondContact O-N 3.02Å
452	K	94.4	Very high	97.4	Very high	162 Å²	162	42.6 Å²	42.6	70%	0.704	24%	0.244	S	C	*	.	S	Bend	trans	-77.7	1.6	-177	-57.5	175.7	-178.1	176.5	0	114.6	M449 N450	M449-K452 VanDerWaalsContact O-CB 3.24Å; M449-K452 WeakPolarHBondContact O-CB 3.17Å; M449-K452 WeakPolarHBondContact O-CG 3.47Å; M449-K452 PolarHBondContact O-N 3.38Å; N450-K452 PolarHBondContact O-N 2.86Å
453	G	95.4	Very high	97.4	Very high	26 Å²	26	46.8 Å²	46.8	27%	0.268	29%	0.286	S	S	.	.	S	Bend	trans	166.7	168.9	179.2	0	0	0	0	0	112	G451	G451-G453 PolarHBondContact O-N 3.02Å
454	P	97.7	Very high	97.3	Very high	21 Å²	21	47.8 Å²	47.8	14%	0.136	29%	0.294	C	S	.	.			trans	-74.5	154.9	-174.9	30.2	-36	0	0	0	113.3	G410 R411 Y456 E472	G410-P454 CarbonylContact C-O 3.6Å; G410-P454 WeakPolarHBondContact CA-O 3.31Å; R411-P454 PolarHBondContact N-O 2.58Å; P454-Y456 HydrophobicContact CB-CD1 4.41Å; P454-Y456 HydrophobicContact CB-CD2 4.09Å; P454-Y456 HydrophobicContact CB-CE1 3.93Å; P454-Y456 HydrophobicContact CB-CE2 3.6Å; P454-Y456 HydrophobicContact CB-CG 4.47Å; P454-Y456 VanDerWaalsContact CB-CZ 3.5Å; P454-Y456 HydrophobicContact CG-CD2 4.01Å; P454-Y456 HydrophobicContact CG-CE2 3.32Å; P454-E472 HydrophobicContact CB-CG 3.99Å
455	V	98.6	Very high	97.3	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.018	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	108.4	159.7	177.3	0	0	0	0	107.9	R411 F413 Y446 M449 L457 E472 M473	R411-V455 HydrophobicContact CB-CG2 4.49Å; R411-V455 CarbonylContact O-C 3.45Å; R411-V455 VanDerWaalsContact O-CA 3.3Å; R411-V455 WeakPolarHBondContact O-CA 3.29Å; F413-V455 HydrophobicContact CD2-CG1 3.97Å; F413-V455 HydrophobicContact CE2-CG1 3.99Å; Y446-V455 HydrophobicContact CD2-CG2 4.48Å; M449-V455 HydrophobicContact CB-CG2 4.41Å; M449-V455 HydrophobicContact CG-CG2 3.69Å; V455-L457 HydrophobicContact CG1-CD2 4.39Å; V455-E472 WeakPolarHBondContact O-CA 3.31Å; V455-M473 HydrophobicContact CB-CB 4.14Å; V455-M473 HydrophobicContact CG1-CB 4.25Å; V455-M473 HydrophobicContact CG1-SD 4.41Å; V455-M473 PolarHBondContact O-N 2.82Å
456	Y	98.8	Very high	97.3	Very high	22 Å²	22	48.7 Å²	48.7	9%	0.086	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	144.9	179.8	-66.1	-58.3	0	0	0	112.5	F403 L407 R411 V412 F413 P454 V470 A471 E472 I500 L541	F403-Y456 HydrophobicContact CZ-CE1 4.49Å; F403-Y456 HydrophobicContact CZ-CE2 4.27Å; L407-Y456 HydrophobicContact CD1-CD2 3.67Å; L407-Y456 HydrophobicContact CD1-CE2 3.63Å; L407-Y456 HydrophobicContact CD2-CE2 3.79Å; L407-Y456 HydrophobicContact CG-CE2 4.36Å; R411-Y456 PolarHBondContact O-N 2.86Å; V412-Y456 CarbonylContact C-O 3.57Å; V412-Y456 WeakPolarHBondContact CA-O 3.41Å; V412-Y456 HydrophobicContact CG2-CD2 4.36Å; F413-Y456 PolarHBondContact N-O 2.7Å; P454-Y456 HydrophobicContact CB-CD1 4.41Å; P454-Y456 HydrophobicContact CB-CD2 4.09Å; P454-Y456 HydrophobicContact CB-CE1 3.93Å; P454-Y456 HydrophobicContact CB-CE2 3.6Å; P454-Y456 HydrophobicContact CB-CG 4.47Å; P454-Y456 VanDerWaalsContact CB-CZ 3.5Å; P454-Y456 HydrophobicContact CG-CD2 4.01Å; P454-Y456 HydrophobicContact CG-CE2 3.32Å; Y456-V470 HydrophobicContact CD1-CG1 4.35Å; Y456-A471 WeakPolarHBondContact CA-O 3.48Å; Y456-E472 HydrophobicContact CD1-CB 3.84Å; Y456-E472 HydrophobicContact CD1-CG 3.9Å; Y456-E472 HydrophobicContact CE1-CB 3.79Å; Y456-E472 HydrophobicContact CE1-CG 3.69Å; Y456-I500 HydrophobicContact CD1-CD1 4.24Å; Y456-I500 HydrophobicContact CE1-CD1 3.59Å; Y456-L541 HydrophobicContact CD2-CD1 4.26Å
457	L	98.9	Very high	97.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	117.2	-176.2	-56.9	-178.1	0	0	0	108.1	F413 I415 L442 V455 F459 V470 A471 M473 F495 V497	F413-L457 HydrophobicContact CB-CD2 4.07Å; F413-L457 HydrophobicContact CD2-CD2 4.42Å; F413-L457 WeakPolarHBondContact O-CA 3.45Å; I415-L457 HydrophobicContact CD1-CD2 4.23Å; I415-L457 HydrophobicContact CG1-CB 3.85Å; I415-L457 HydrophobicContact CG1-CD1 4.45Å; I415-L457 HydrophobicContact CG1-CD2 4.19Å; I415-L457 HydrophobicContact CG1-CG 4.38Å; L442-L457 HydrophobicContact CD2-CD2 3.75Å; V455-L457 HydrophobicContact CG1-CD2 4.39Å; L457-F459 HydrophobicContact CB-CD2 4.31Å; L457-F459 HydrophobicContact CB-CE2 3.58Å; L457-F459 HydrophobicContact CB-CZ 4.12Å; L457-F459 HydrophobicContact CD1-CZ 4.44Å; L457-F459 VanDerWaalsContact O-CD2 3.32Å; L457-F459 WeakPolarHBondContact O-CD2 3.34Å; L457-V470 VanDerWaalsContact O-CA 3.31Å; L457-V470 WeakPolarHBondContact O-CA 3.47Å; L457-A471 PolarHBondContact N-O 2.92Å; L457-A471 PolarHBondContact O-N 3.06Å; L457-M473 HydrophobicContact CD1-CB 4.32Å; L457-F495 HydrophobicContact CD1-CE2 3.67Å; L457-F495 HydrophobicContact CD1-CZ 4.09Å; L457-V497 HydrophobicContact CD1-CG1 4.01Å
458	L	98.9	Very high	97.4	Very high	0 Å²	0	39 Å²	39	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	108.5	-176.5	-52.7	-178.9	0	0	0	108.9	V412 F413 I414 I415 F467 V470 V540 L541 I544	V412-L458 HydrophobicContact CG1-CD1 3.62Å; V412-L458 HydrophobicContact CG1-CD2 4.14Å; V412-L458 HydrophobicContact CG1-CG 3.7Å; F413-L458 PolarHBondContact O-N 3.08Å; I414-L458 HydrophobicContact CD1-CB 3.98Å; I414-L458 HydrophobicContact CD1-CD1 3.82Å; I414-L458 HydrophobicContact CD1-CG 4.4Å; I415-L458 PolarHBondContact N-O 2.87Å; L458-F467 HydrophobicContact CB-CD1 4.05Å; L458-F467 HydrophobicContact CB-CE1 3.82Å; L458-V470 HydrophobicContact CD2-CB 4.32Å; L458-V470 HydrophobicContact CD2-CG1 3.9Å; L458-V470 HydrophobicContact CD2-CG2 3.58Å; L458-V540 HydrophobicContact CD1-CB 4.38Å; L458-V540 HydrophobicContact CD1-CG1 3.69Å; L458-L541 HydrophobicContact CD2-CD2 3.89Å; L458-I544 HydrophobicContact CD2-CD1 4.3Å
459	F	98.9	Very high	97.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	132.7	-169.7	-72	-99.7	0	0	0	112.6	I415 I423 W432 L457 F467 C468 G469 A471 W499	I415-F459 HydrophobicContact CB-CD1 3.85Å; I415-F459 HydrophobicContact CB-CE1 3.94Å; I415-F459 HydrophobicContact CB-CG 4.25Å; I415-F459 HydrophobicContact CB-CZ 4.37Å; I415-F459 HydrophobicContact CG1-CE1 4.3Å; I415-F459 HydrophobicContact CG1-CZ 4.28Å; I415-F459 HydrophobicContact CG2-CD1 3.59Å; I415-F459 HydrophobicContact CG2-CE1 3.5Å; I415-F459 HydrophobicContact CG2-CG 4.46Å; I415-F459 HydrophobicContact CG2-CZ 4.29Å; I423-F459 HydrophobicContact CD1-CB 4.31Å; I423-F459 HydrophobicContact CD1-CD1 3.62Å; I423-F459 HydrophobicContact CD1-CE1 4.4Å; I423-F459 HydrophobicContact CD1-CG 4.36Å; W432-F459 AromaticContact CD2-CE1 3.68Å; W432-F459 HydrophobicContact CD2-CE1 3.68Å; W432-F459 HydrophobicContact CD2-CZ 4.24Å; W432-F459 AromaticContact CE2-CE1 3.88Å; W432-F459 AromaticContact CE3-CE1 3.72Å; W432-F459 HydrophobicContact CE3-CE1 3.72Å; W432-F459 HydrophobicContact CE3-CZ 4.42Å; W432-F459 HydrophobicContact CG-CE1 4.26Å; W432-F459 HydrophobicContact CG-CZ 4.39Å; W432-F459 HydrophobicContact CH2-CE1 4.19Å; W432-F459 HydrophobicContact CZ2-CE1 4.14Å; W432-F459 AromaticContact CZ3-CE1 3.97Å; W432-F459 HydrophobicContact CZ3-CE1 3.97Å; L457-F459 HydrophobicContact CB-CD2 4.31Å; L457-F459 HydrophobicContact CB-CE2 3.58Å; L457-F459 HydrophobicContact CB-CZ 4.12Å; L457-F459 HydrophobicContact CD1-CZ 4.44Å; L457-F459 VanDerWaalsContact O-CD2 3.32Å; L457-F459 WeakPolarHBondContact O-CD2 3.34Å; F459-F467 CarbonylContact O-C 3.56Å; F459-F467 VanDerWaalsContact O-CA 3.24Å; F459-F467 WeakPolarHBondContact O-CA 3.48Å; F459-F467 WeakPolarHBondContact O-CB 3.32Å; F459-F467 WeakPolarHBondContact O-CD1 3.32Å; F459-C468 PolarHBondContact O-N 2.91Å; F459-G469 PolarHBondContact N-O 2.8Å; F459-A471 HydrophobicContact CE2-CB 3.71Å; F459-A471 HydrophobicContact CZ-CB 4.44Å; F459-W499 HydrophobicContact CB-CH2 3.81Å; F459-W499 HydrophobicContact CB-CZ3 4.25Å; F459-W499 AromaticContact CD1-CH2 3.71Å; F459-W499 HydrophobicContact CD1-CH2 3.71Å; F459-W499 AromaticContact CD1-CZ2 3.98Å; F459-W499 HydrophobicContact CD1-CZ2 3.98Å; F459-W499 AromaticContact CD2-CH2 3.49Å; F459-W499 HydrophobicContact CD2-CH2 3.49Å; F459-W499 VanDerWaalsContact CD2-CH2 3.49Å; F459-W499 AromaticContact CD2-CZ2 4Å; F459-W499 HydrophobicContact CD2-CZ2 4Å; F459-W499 AromaticContact CD2-CZ3 3.86Å; F459-W499 HydrophobicContact CD2-CZ3 3.86Å; F459-W499 HydrophobicContact CE1-CH2 4.08Å; F459-W499 AromaticContact CE1-CZ2 3.88Å; F459-W499 HydrophobicContact CE1-CZ2 3.88Å; F459-W499 AromaticContact CE2-CH2 3.91Å; F459-W499 HydrophobicContact CE2-CH2 3.91Å; F459-W499 AromaticContact CE2-CZ2 3.92Å; F459-W499 HydrophobicContact CE2-CZ2 3.92Å; F459-W499 HydrophobicContact CE2-CZ3 4.42Å; F459-W499 AromaticContact CG-CH2 3.38Å; F459-W499 HydrophobicContact CG-CH2 3.38Å; F459-W499 HydrophobicContact CG-CZ2 4.03Å; F459-W499 HydrophobicContact CG-CZ3 4.06Å; F459-W499 HydrophobicContact CZ-CH2 4.18Å; F459-W499 AromaticContact CZ-CZ2 3.86Å; F459-W499 HydrophobicContact CZ-CZ2 3.86Å
460	S	98.7	Very high	97.5	Very high	4 Å²	4	34.6 Å²	34.6	3%	0.028	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	131.8	172.2	172.9	0	0	0	0	109.4	I415 K416 S417 H466	I415-S460 PolarHBondContact O-N 3.36Å; K416-S460 WeakPolarHBondContact CA-O 3.49Å; K416-S460 WeakPolarHBondContact CE-O 3.49Å; S417-S460 PolarHBondContact N-O 3.36Å; S460-H466 WeakPolarHBondContact CB-O 3.43Å; S460-H466 PolarHBondContact OG-O 3.22Å
461	V	98.2	Very high	97.7	Very high	9 Å²	9	28.5 Å²	28.5	6%	0.055	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	139.8	177.1	-175.5	0	0	0	0	109.8	E420 I423 G463 S464	E420-V461 HydrophobicContact CG-CB 4.34Å; E420-V461 HydrophobicContact CG-CG1 4.16Å; E420-V461 HydrophobicContact CG-CG2 3.83Å; I423-V461 HydrophobicContact CD1-CG2 4.43Å; I423-V461 HydrophobicContact CG1-CG2 3.78Å; V461-G463 PolarHBondContact O-N 2.84Å; V461-S464 PolarHBondContact O-N 3Å; V461-S464 PolarHBondContact O-OG 2.98Å
462	N	97.4	Very high	98	Very high	61 Å²	61	26.2 Å²	26.2	33%	0.326	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	120.9	177.8	-72.1	-40.4	0	0	0	110.6	K416 S417	K416-N462 WeakPolarHBondContact CE-OD1 3.42Å; K416-N462 PolarHBondContact NZ-OD1 2.82Å; S417-N462 WeakPolarHBondContact O-CB 3.26Å; S417-N462 PolarHBondContact O-N 3.04Å; S417-N462 PolarHBondContact O-ND2 3.02Å; S417-N462 VanDerWaalsContact O-ND2 3.12Å
463	G	96.9	Very high	98.2	Very high	87 Å²	87	18.6 Å²	18.6	90%	0.897	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.7	-18.7	-178.8	0	0	0	0	0	115.9	V461 G465	V461-G463 PolarHBondContact O-N 2.84Å; G463-G465 VanDerWaalsContact C-N 3.26Å; G463-G465 PolarHBondContact O-N 2.79Å
464	S	97.2	Very high	98.3	Very high	34 Å²	34	21.6 Å²	21.6	24%	0.238	14%	0.144	C	C	.	.	S	Bend	trans	-71.3	-16.4	-171.4	83.3	0	0	0	0	115	V461 H466	V461-S464 PolarHBondContact O-N 3Å; V461-S464 PolarHBondContact O-OG 2.98Å; S464-H466 VanDerWaalsContact C-N 3.26Å; S464-H466 WeakPolarHBondContact CB-CE1 3.33Å; S464-H466 PolarHBondContact O-N 2.94Å; S464-H466 PolarHBondContact O-ND1 2.89Å; S464-H466 PolarHBondContact OG-CE1 3.06Å; S464-H466 PolarHBondContact OG-ND1 3.23Å; S464-H466 PolarHBondContact OG-NE2 3.49Å; S464-H466 PolarHBondContact OG-O 2.7Å
465	G	98	Very high	98.3	Very high	44 Å²	44	21.9 Å²	21.9	45%	0.454	15%	0.146	S	C	.	.	S	Bend	trans	73.4	11.2	177.7	0	0	0	0	0	115.1	G463 N507	G463-G465 VanDerWaalsContact C-N 3.26Å; G463-G465 PolarHBondContact O-N 2.79Å; G465-N507 VanDerWaalsContact C-CG 3.45Å; G465-N507 WeakPolarHBondContact O-CB 3.37Å; G465-N507 PolarHBondContact O-N 3.13Å
466	H	98.6	Very high	98.3	Very high	33 Å²	33	23.3 Å²	23.3	15%	0.153	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	166.7	-179.2	63.2	-95.2	0	0	0	112.2	S460 S464 D504 V505 N507	S460-H466 WeakPolarHBondContact CB-O 3.43Å; S460-H466 PolarHBondContact OG-O 3.22Å; S464-H466 VanDerWaalsContact C-N 3.26Å; S464-H466 WeakPolarHBondContact CB-CE1 3.33Å; S464-H466 PolarHBondContact O-N 2.94Å; S464-H466 PolarHBondContact O-ND1 2.89Å; S464-H466 PolarHBondContact OG-CE1 3.06Å; S464-H466 PolarHBondContact OG-ND1 3.23Å; S464-H466 PolarHBondContact OG-NE2 3.49Å; S464-H466 PolarHBondContact OG-O 2.7Å; H466-D504 IonicContact CD2-OD1 2.91Å; H466-D504 IonicContact NE2-OD1 2.79Å; H466-V505 WeakPolarHBondContact CA-O 3.25Å; H466-V505 WeakPolarHBondContact CB-O 3.28Å; H466-N507 WeakPolarHBondContact CA-OD1 3.46Å
467	F	98.8	Very high	98.2	Very high	3 Å²	3	22.6 Å²	22.6	1%	0.013	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	134.2	160	-79	-103.8	0	0	0	108.7	I414 L458 F459 D504 V505 N507 L510 T524	I414-F467 HydrophobicContact CD1-CE1 3.96Å; I414-F467 HydrophobicContact CD1-CZ 4.06Å; I414-F467 HydrophobicContact CG2-CE1 4.13Å; I414-F467 HydrophobicContact CG2-CZ 4.26Å; L458-F467 HydrophobicContact CB-CD1 4.05Å; L458-F467 HydrophobicContact CB-CE1 3.82Å; F459-F467 CarbonylContact O-C 3.56Å; F459-F467 VanDerWaalsContact O-CA 3.24Å; F459-F467 WeakPolarHBondContact O-CA 3.48Å; F459-F467 WeakPolarHBondContact O-CB 3.32Å; F459-F467 WeakPolarHBondContact O-CD1 3.32Å; F467-D504 CarbonylContact O-C 3.59Å; F467-D504 WeakPolarHBondContact O-CA 3.34Å; F467-V505 PolarHBondContact N-O 3.43Å; F467-V505 PolarHBondContact O-N 3.33Å; F467-N507 WeakPolarHBondContact CD2-OD1 3.45Å; F467-L510 HydrophobicContact CB-CD1 4.43Å; F467-L510 HydrophobicContact CD2-CD1 3.5Å; F467-L510 HydrophobicContact CE2-CD1 3.95Å; F467-L510 HydrophobicContact CG-CD1 4.05Å; F467-T524 HydrophobicContact CE2-CG2 4.37Å
468	C	98.5	Very high	98	Very high	6 Å²	6	25.5 Å²	25.5	4%	0.041	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-9.8	-175.2	55.7	0	0	0	0	113.4	F459 K503	F459-C468 PolarHBondContact O-N 2.91Å; C468-K503 CarbonylContact C-O 3.47Å; C468-K503 WeakPolarHBondContact CA-O 3.08Å; C468-K503 CarbonylContact O-C 3.57Å; C468-K503 PolarHBondContact O-N 3.17Å; C468-K503 VanDerWaalsContact O-O 3.09Å
469	G	98.3	Very high	97.8	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.1	-170.3	173.7	0	0	0	0	0	115.9	F459 F501	F459-G469 PolarHBondContact N-O 2.8Å; G469-F501 CarbonylContact C-O 3.51Å; G469-F501 WeakPolarHBondContact CA-O 3.29Å
470	V	98.8	Very high	97.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	132.5	-179.5	-178.2	0	0	0	0	109.5	Y456 L457 L458 I500 F501 L541 I544	Y456-V470 HydrophobicContact CD1-CG1 4.35Å; L457-V470 VanDerWaalsContact O-CA 3.31Å; L457-V470 WeakPolarHBondContact O-CA 3.47Å; L458-V470 HydrophobicContact CD2-CB 4.32Å; L458-V470 HydrophobicContact CD2-CG1 3.9Å; L458-V470 HydrophobicContact CD2-CG2 3.58Å; V470-I500 PolarHBondContact O-N 3.02Å; V470-F501 HydrophobicContact CB-CB 4.09Å; V470-F501 HydrophobicContact CB-CD2 4.1Å; V470-F501 HydrophobicContact CG2-CB 4.21Å; V470-F501 HydrophobicContact CG2-CD2 4.2Å; V470-F501 PolarHBondContact N-O 3.13Å; V470-F501 PolarHBondContact O-N 2.6Å; V470-L541 HydrophobicContact CG1-CD2 4.26Å; V470-L541 HydrophobicContact CG2-CD2 4.44Å; V470-I544 HydrophobicContact CG2-CD1 3.96Å; V470-I544 HydrophobicContact CG2-CG2 3.93Å
471	A	98.8	Very high	96.7	Very high	0 Å²	0	38 Å²	38	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	161.7	168.2	0	0	0	0	0	111.5	Y456 L457 F459 V497 R498 W499	Y456-A471 WeakPolarHBondContact CA-O 3.48Å; L457-A471 PolarHBondContact N-O 2.92Å; L457-A471 PolarHBondContact O-N 3.06Å; F459-A471 HydrophobicContact CE2-CB 3.71Å; F459-A471 HydrophobicContact CZ-CB 4.44Å; A471-V497 HydrophobicContact CB-CB 4.02Å; A471-V497 HydrophobicContact CB-CG2 4.32Å; A471-R498 CarbonylContact C-O 3.17Å; A471-R498 VanDerWaalsContact CA-O 3.23Å; A471-R498 WeakPolarHBondContact CA-O 3.48Å; A471-R498 WeakPolarHBondContact CB-O 3.47Å; A471-W499 HydrophobicContact CB-CB 4.5Å; A471-W499 HydrophobicContact CB-CD2 3.95Å; A471-W499 HydrophobicContact CB-CE3 4.39Å; A471-W499 HydrophobicContact CB-CG 4Å
472	E	98.4	Very high	95.7	Very high	35 Å²	35	40.5 Å²	40.5	16%	0.164	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.7	169.8	-163.6	-167.1	151.6	0	0	109.3	P454 V455 Y456 K474 V497 R498 I500	P454-E472 HydrophobicContact CB-CG 3.99Å; V455-E472 WeakPolarHBondContact O-CA 3.31Å; Y456-E472 HydrophobicContact CD1-CB 3.84Å; Y456-E472 HydrophobicContact CD1-CG 3.9Å; Y456-E472 HydrophobicContact CE1-CB 3.79Å; Y456-E472 HydrophobicContact CE1-CG 3.69Å; E472-K474 VanDerWaalsContact CD-CE 3.41Å; E472-K474 IonicContact OE1-NZ 3.28Å; E472-K474 PolarHBondContact OE1-NZ 2.63Å; E472-K474 WeakPolarHBondContact OE2-CE 3.45Å; E472-K474 IonicContact OE2-NZ 3.97Å; E472-K474 PolarHBondContact OE2-NZ 3.16Å; E472-V497 CarbonylContact O-C 3.57Å; E472-V497 VanDerWaalsContact O-CA 3.28Å; E472-V497 WeakPolarHBondContact O-CA 3.31Å; E472-R498 PolarHBondContact N-O 3.43Å; E472-R498 PolarHBondContact O-N 2.98Å; E472-I500 HydrophobicContact CB-CD1 3.97Å
473	M	98.6	Very high	94.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	130.5	172.9	-173.5	167.9	177.7	0	0	109.9	L442 Y446 V455 L457 S475 V477 F495	L442-M473 HydrophobicContact CB-CE 4.24Å; L442-M473 HydrophobicContact CB-SD 4.07Å; Y446-M473 HydrophobicContact CD2-CB 4.17Å; Y446-M473 HydrophobicContact CD2-CG 3.75Å; Y446-M473 HydrophobicContact CD2-SD 4.21Å; Y446-M473 HydrophobicContact CE2-CG 4.33Å; Y446-M473 WeakPolarHBondContact CE2-O 3.36Å; Y446-M473 HydrophobicContact CG-CE 4.11Å; Y446-M473 HydrophobicContact CG-CG 4.28Å; Y446-M473 HydrophobicContact CG-SD 4.28Å; V455-M473 HydrophobicContact CB-CB 4.14Å; V455-M473 HydrophobicContact CG1-CB 4.25Å; V455-M473 HydrophobicContact CG1-SD 4.41Å; V455-M473 PolarHBondContact O-N 2.82Å; L457-M473 HydrophobicContact CD1-CB 4.32Å; M473-S475 WeakPolarHBondContact CE-O 3.41Å; M473-V477 HydrophobicContact CE-CG2 3.93Å; M473-F495 HydrophobicContact CE-CB 4.08Å; M473-F495 HydrophobicContact CE-CD1 4.38Å; M473-F495 HydrophobicContact CE-CD2 3.9Å; M473-F495 HydrophobicContact CE-CE2 4.34Å; M473-F495 HydrophobicContact CE-CG 3.88Å; M473-F495 HydrophobicContact CG-CD2 3.72Å; M473-F495 HydrophobicContact CG-CE2 3.99Å; M473-F495 HydrophobicContact SD-CD2 4.06Å; M473-F495 HydrophobicContact SD-CE2 4.05Å
474	K	98	Very high	94.1	Very high	90 Å²	90	36.6 Å²	36.6	39%	0.391	22%	0.223	S	C	.	.			trans	-122	-6.4	-171.3	-71	-57.5	-171.9	-172.8	0	115.4	Y446 E472 D496 R498	Y446-K474 PolarHBondContact OH-O 2.72Å; Y446-K474 VanDerWaalsContact OH-O 3.05Å; E472-K474 VanDerWaalsContact CD-CE 3.41Å; E472-K474 IonicContact OE1-NZ 3.28Å; E472-K474 PolarHBondContact OE1-NZ 2.63Å; E472-K474 WeakPolarHBondContact OE2-CE 3.45Å; E472-K474 IonicContact OE2-NZ 3.97Å; E472-K474 PolarHBondContact OE2-NZ 3.16Å; K474-D496 PolarHBondContact N-O 2.87Å; K474-R498 HydrophobicContact CG-CB 3.91Å
475	S	97.8	Very high	93.4	Very high	27 Å²	27	36.5 Å²	36.5	19%	0.189	22%	0.221	C	C	.	.	S	Bend	trans	-145.6	164.3	169	60.2	0	0	0	0	111.4	Y446 M473 D496	Y446-S475 VanDerWaalsContact CE1-C 3.46Å; M473-S475 WeakPolarHBondContact CE-O 3.41Å; S475-D496 WeakPolarHBondContact CB-OD2 3.49Å; S475-D496 WeakPolarHBondContact OG-CB 3.34Å; S475-D496 PolarHBondContact OG-N 3.06Å; S475-D496 PolarHBondContact OG-OD2 3.24Å
476	A	97.6	Very high	92.9	Very high	33 Å²	33	35 Å²	35	27%	0.273	20%	0.202	S	C	.	.			trans	-71.3	161.1	170.3	0	0	0	0	0	110.4	D443 Y446 D478	D443-A476 WeakPolarHBondContact OD1-CA 3.24Å; D443-A476 WeakPolarHBondContact OD1-CB 3.18Å; Y446-A476 HydrophobicContact CD1-CB 4.04Å; Y446-A476 HydrophobicContact CE1-CB 4.3Å; A476-D478 PolarHBondContact O-N 2.99Å
477	V	97.1	Very high	92.1	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.042	21%	0.209	C	C	.	.			trans	-76.8	123.1	-177.6	-175	0	0	0	0	111	N439 D443 M473 Y479 F495	N439-V477 HydrophobicContact CB-CG1 4.21Å; D443-V477 HydrophobicContact CB-CB 4.01Å; D443-V477 HydrophobicContact CB-CG2 3.65Å; D443-V477 PolarHBondContact OD1-N 2.72Å; M473-V477 HydrophobicContact CE-CG2 3.93Å; V477-Y479 HydrophobicContact CB-CD2 4.31Å; V477-Y479 HydrophobicContact CB-CE1 4.46Å; V477-Y479 HydrophobicContact CB-CE2 3.79Å; V477-Y479 HydrophobicContact CG1-CD1 4.09Å; V477-Y479 HydrophobicContact CG1-CD2 4.07Å; V477-Y479 HydrophobicContact CG1-CE1 3.96Å; V477-Y479 HydrophobicContact CG1-CE2 3.92Å; V477-Y479 HydrophobicContact CG1-CG 4.15Å; V477-Y479 WeakPolarHBondContact O-CD2 3.3Å; V477-Y479 WeakPolarHBondContact O-CE2 3.46Å; V477-F495 HydrophobicContact CG2-CB 4.11Å; V477-F495 HydrophobicContact CG2-CD1 3.72Å; V477-F495 HydrophobicContact CG2-CE1 4.47Å; V477-F495 HydrophobicContact CG2-CG 4.2Å
478	D	95.6	Very high	91.1	Very high	61 Å²	61	39.1 Å²	39.1	33%	0.326	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-87.9	109.3	159.8	172.6	25.9	0	0	0	109.4	A476 N480 T481 G493 R494	A476-D478 PolarHBondContact O-N 2.99Å; D478-N480 VanDerWaalsContact C-N 3.32Å; D478-N480 WeakPolarHBondContact OD1-CB 3.47Å; D478-N480 PolarHBondContact OD1-N 3.26Å; D478-N480 PolarHBondContact OD1-ND2 3.49Å; D478-N480 VanDerWaalsContact OD1-ND2 3.15Å; D478-T481 WeakPolarHBondContact OD2-CB 3.1Å; D478-T481 PolarHBondContact OD2-N 2.59Å; D478-T481 PolarHBondContact OD2-OG1 3.36Å; D478-G493 CarbonylContact O-C 3.54Å; D478-G493 VanDerWaalsContact O-CA 3.24Å; D478-G493 WeakPolarHBondContact O-CA 3.3Å; D478-R494 PolarHBondContact N-O 3.23Å; D478-R494 PolarHBondContact O-N 2.79Å
479	Y	93.8	Very high	90	Very high	75 Å²	75	43.9 Å²	43.9	29%	0.294	25%	0.251	S	S	.	.	S	Bend	trans	-78.3	-13.4	-179.8	-62.4	-93.3	0	0	0	113.8	N439 K440 D443 V477	N439-Y479 HydrophobicContact CB-CE1 3.91Å; N439-Y479 PolarHBondContact O-OH 3.37Å; K440-Y479 WeakPolarHBondContact CA-OH 3.17Å; K440-Y479 HydrophobicContact CG-CE1 4.1Å; D443-Y479 VanDerWaalsContact CB-OH 3.22Å; D443-Y479 WeakPolarHBondContact CB-OH 3.34Å; D443-Y479 PolarHBondContact OD2-OH 3.23Å; V477-Y479 HydrophobicContact CB-CD2 4.31Å; V477-Y479 HydrophobicContact CB-CE1 4.46Å; V477-Y479 HydrophobicContact CB-CE2 3.79Å; V477-Y479 HydrophobicContact CG1-CD1 4.09Å; V477-Y479 HydrophobicContact CG1-CD2 4.07Å; V477-Y479 HydrophobicContact CG1-CE1 3.96Å; V477-Y479 HydrophobicContact CG1-CE2 3.92Å; V477-Y479 HydrophobicContact CG1-CG 4.15Å; V477-Y479 WeakPolarHBondContact O-CD2 3.3Å; V477-Y479 WeakPolarHBondContact O-CE2 3.46Å
480	N	89.6	Confident	89.1	Confident	153 Å²	153	52 Å²	52	82%	0.818	29%	0.286	S	S	*	.	S	Bend	trans	-86.6	-26.9	-176.2	-54.2	-70.6	0	0	0	112.3	D478	D478-N480 VanDerWaalsContact C-N 3.32Å; D478-N480 WeakPolarHBondContact OD1-CB 3.47Å; D478-N480 PolarHBondContact OD1-N 3.26Å; D478-N480 PolarHBondContact OD1-ND2 3.49Å; D478-N480 VanDerWaalsContact OD1-ND2 3.15Å
481	T	85.6	Confident	87.9	Confident	39 Å²	39	54.3 Å²	54.3	24%	0.239	30%	0.295	C	S	.	.			trans	-73.6	125.3	175	-70.4	0	0	0	0	111.7	D478 G493 R494	D478-T481 WeakPolarHBondContact OD2-CB 3.1Å; D478-T481 PolarHBondContact OD2-N 2.59Å; D478-T481 PolarHBondContact OD2-OG1 3.36Å; T481-G493 CarbonylContact O-C 3.46Å; T481-G493 PolarHBondContact O-N 3.15Å; T481-R494 HydrophobicContact CG2-CB 3.92Å
482	C	76.8	Confident	87.3	Confident	60 Å²	60	61.8 Å²	61.8	41%	0.405	33%	0.327	S	S	.	.			trans	-94.8	123.1	148.1	180	0	0	0	0	107.5	G484	C482-G484 PolarHBondContact O-N 2.81Å
483	A	78.7	Confident	86.9	Confident	26 Å²	26	60.1 Å²	60.1	22%	0.215	32%	0.319	C	S	.	.			trans	-73.4	-13	-175.1	0	0	0	0	0	113.7	I431 V485 W486 R494	I431-A483 HydrophobicContact CD1-CB 3.97Å; A483-V485 HydrophobicContact CB-CG2 4.05Å; A483-V485 PolarHBondContact O-N 2.98Å; A483-W486 HydrophobicContact CB-CZ2 4.46Å; A483-R494 HydrophobicContact CB-CG 4.42Å
484	G	81.3	Confident	86.7	Confident	41 Å²	41	64 Å²	64	42%	0.423	33%	0.334	S	S	.	.	S	Bend	trans	68.7	-13.5	178.7	0	0	0	0	0	116.3	C482	C482-G484 PolarHBondContact O-N 2.81Å
485	V	83.7	Confident	86.7	Confident	32 Å²	32	59.8 Å²	59.8	19%	0.194	32%	0.316	C	S	.	.			trans	-89.2	-14.7	-177.3	-62.4	0	0	0	0	114.8	R425 Y429 I431 A483	R425-V485 WeakPolarHBondContact CD-O 3.36Å; R425-V485 PolarHBondContact NH1-O 3.34Å; Y429-V485 HydrophobicContact CD2-CG1 4.31Å; Y429-V485 HydrophobicContact CD2-CG2 4.46Å; Y429-V485 HydrophobicContact CE2-CB 4.45Å; Y429-V485 HydrophobicContact CE2-CG1 4.07Å; I431-V485 HydrophobicContact CD1-CG2 4.05Å; A483-V485 HydrophobicContact CB-CG2 4.05Å; A483-V485 PolarHBondContact O-N 2.98Å
486	W	86.7	Confident	86.7	Confident	13 Å²	13	61 Å²	61	5%	0.049	32%	0.32	C	S	.	.	S	Bend	trans	-70.3	154.2	-173.9	-54.2	123.6	0	0	0	113.3	D422 I431 W432 C433 A483 Q488 W491	D422-W486 HydrophobicContact CB-CE3 4.34Å; D422-W486 WeakPolarHBondContact OD1-CA 3.31Å; I431-W486 HydrophobicContact CD1-CH2 4.15Å; I431-W486 HydrophobicContact CD1-CZ2 3.98Å; I431-W486 HydrophobicContact CG1-CH2 3.94Å; I431-W486 HydrophobicContact CG1-CZ2 4.18Å; W432-W486 HydrophobicContact CE3-CH2 4.31Å; W432-W486 HydrophobicContact CE3-CZ3 4.28Å; W432-W486 HydrophobicContact CZ3-CZ3 4.4Å; C433-W486 HydrophobicContact CB-CZ2 3.85Å; A483-W486 HydrophobicContact CB-CZ2 4.46Å; W486-Q488 PolarHBondContact O-N 3.41Å; W486-Q488 VanDerWaalsContact O-N 3.09Å; W486-W491 HydrophobicContact CG-CB 4.19Å
487	S	80.8	Confident	86.7	Confident	44 Å²	44	59.5 Å²	59.5	31%	0.308	31%	0.308	S	S	.	.	S	Bend	trans	-58.5	-20.6	176.8	67.8	0	0	0	0	113.9	D422	D422-S487 WeakPolarHBondContact OD1-CB 3.18Å; D422-S487 PolarHBondContact OD1-N 3.45Å; D422-S487 PolarHBondContact OD1-OG 3.35Å; D422-S487 WeakPolarHBondContact OD2-CB 3.41Å; D422-S487 PolarHBondContact OD2-OG 2.92Å
488	Q	78.1	Confident	86.8	Confident	78 Å²	78	64.7 Å²	64.7	36%	0.364	33%	0.326	S	S	.	.	S	Bend	trans	-133.3	125.5	174.2	-56.2	-178.5	32.1	0	0	109.7	W486 K490	W486-Q488 PolarHBondContact O-N 3.41Å; W486-Q488 VanDerWaalsContact O-N 3.09Å; Q488-K490 PolarHBondContact O-N 3.09Å
489	D	76.2	Confident	86.9	Confident	105 Å²	105	61.9 Å²	61.9	56%	0.561	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	7	177.8	-71.2	-61.5	0	0	0	114.2	K571	D489-K571 VanDerWaalsContact CG-NZ 3.27Å; D489-K571 IonicContact OD1-NZ 2.72Å; D489-K571 PolarHBondContact OD1-NZ 2.89Å; D489-K571 IonicContact OD2-NZ 3.69Å; D489-K571 PolarHBondContact OD2-NZ 3.05Å
490	K	78.7	Confident	87.1	Confident	171 Å²	171	59 Å²	59	74%	0.743	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-22.9	179.3	-65.8	179.5	-179.6	173.1	0	114	Q488 K492	Q488-K490 PolarHBondContact O-N 3.09Å; K490-K492 PolarHBondContact O-N 2.94Å
491	W	74.9	Confident	87.6	Confident	49 Å²	49	51.8 Å²	51.8	19%	0.186	26%	0.262	C	S	.	.			trans	-78.7	102.2	-171	-58.7	113.9	0	0	0	112	Y418 C433 T435 W486	Y418-W491 HydrophobicContact CD2-CH2 4.41Å; Y418-W491 HydrophobicContact CD2-CZ2 4.18Å; Y418-W491 HydrophobicContact CE2-CH2 4.33Å; C433-W491 HydrophobicContact CB-CB 4.39Å; T435-W491 HydrophobicContact CG2-CH2 4.3Å; T435-W491 HydrophobicContact CG2-CZ3 3.83Å; W486-W491 HydrophobicContact CG-CB 4.19Å
492	K	85.3	Confident	88.2	Confident	157 Å²	157	49.9 Å²	49.9	68%	0.683	25%	0.251	S	S	*	.			trans	-95.4	134.6	171.9	-68.7	-171.9	178.3	-175.4	0	111.2	C433 N439 K490	C433-K492 PolarHBondContact SG-O 2.88Å; C433-K492 VanDerWaalsContact SG-O 3.38Å; N439-K492 PolarHBondContact ND2-O 2.99Å; N439-K492 VanDerWaalsContact ND2-O 3.15Å; K490-K492 PolarHBondContact O-N 2.94Å
493	G	89.2	Confident	89.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.234	C	C	.	.			trans	119.3	144.4	-170.2	0	0	0	0	0	111	C433 D478 T481	C433-G493 WeakPolarHBondContact CB-O 3.33Å; C433-G493 PolarHBondContact SG-O 3.21Å; D478-G493 CarbonylContact O-C 3.54Å; D478-G493 VanDerWaalsContact O-CA 3.24Å; D478-G493 WeakPolarHBondContact O-CA 3.3Å; T481-G493 CarbonylContact O-C 3.46Å; T481-G493 PolarHBondContact O-N 3.15Å
494	R	94.9	Very high	90.2	Very high	84 Å²	84	47.3 Å²	47.3	32%	0.317	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-142.8	141.2	162	-158.2	-167.7	94	-139.3	5.8	109.5	I431 D478 T481 A483 D496	I431-R494 HydrophobicContact CB-CG 3.97Å; I431-R494 HydrophobicContact CD1-CG 4.18Å; I431-R494 HydrophobicContact CG2-CG 3.98Å; D478-R494 PolarHBondContact N-O 3.23Å; D478-R494 PolarHBondContact O-N 2.79Å; T481-R494 HydrophobicContact CG2-CB 3.92Å; A483-R494 HydrophobicContact CB-CG 4.42Å; R494-D496 IonicContact CZ-OD1 2.72Å; R494-D496 IonicContact NE-OD1 2.66Å; R494-D496 PolarHBondContact NE-OD1 3.07Å; R494-D496 IonicContact NH2-OD1 2.71Å; R494-D496 PolarHBondContact NH2-OD1 2.64Å; R494-D496 IonicContact NH2-OD2 3.01Å
495	F	97.7	Very high	91	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155.6	159.8	59.5	-89.7	0	0	0	109.2	I431 W432 L442 L457 M473 V477 V497	I431-F495 CarbonylContact C-O 3.55Å; I431-F495 VanDerWaalsContact CA-O 3.31Å; I431-F495 WeakPolarHBondContact CA-O 3.39Å; W432-F495 HydrophobicContact CB-CD2 4.44Å; W432-F495 HydrophobicContact CB-CE1 4.24Å; W432-F495 HydrophobicContact CB-CE2 3.81Å; W432-F495 HydrophobicContact CB-CZ 3.73Å; W432-F495 AromaticContact CD1-CZ 3.6Å; W432-F495 HydrophobicContact CG-CZ 4.05Å; W432-F495 PolarHBondContact N-O 2.8Å; W432-F495 PolarHBondContact O-N 2.6Å; W432-F495 VanDerWaalsContact O-N 3.13Å; L442-F495 HydrophobicContact CD1-CE1 3.99Å; L442-F495 HydrophobicContact CD1-CZ 3.64Å; L457-F495 HydrophobicContact CD1-CE2 3.67Å; L457-F495 HydrophobicContact CD1-CZ 4.09Å; M473-F495 HydrophobicContact CE-CB 4.08Å; M473-F495 HydrophobicContact CE-CD1 4.38Å; M473-F495 HydrophobicContact CE-CD2 3.9Å; M473-F495 HydrophobicContact CE-CE2 4.34Å; M473-F495 HydrophobicContact CE-CG 3.88Å; M473-F495 HydrophobicContact CG-CD2 3.72Å; M473-F495 HydrophobicContact CG-CE2 3.99Å; M473-F495 HydrophobicContact SD-CD2 4.06Å; M473-F495 HydrophobicContact SD-CE2 4.05Å; V477-F495 HydrophobicContact CG2-CB 4.11Å; V477-F495 HydrophobicContact CG2-CD1 3.72Å; V477-F495 HydrophobicContact CG2-CE1 4.47Å; V477-F495 HydrophobicContact CG2-CG 4.2Å; F495-V497 HydrophobicContact CD2-CG1 3.69Å; F495-V497 HydrophobicContact CE2-CG1 3.47Å; F495-V497 VanDerWaalsContact CE2-CG1 3.47Å
496	D	98	Very high	91.7	Very high	51 Å²	51	45.9 Å²	45.9	27%	0.273	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	142.2	-175.8	-46.1	-54.6	0	0	0	109.6	N430 I431 K474 S475 R494	N430-D496 CarbonylContact O-C 3.48Å; N430-D496 WeakPolarHBondContact O-CA 3.39Å; I431-D496 WeakPolarHBondContact CG2-OD1 2.92Å; K474-D496 PolarHBondContact N-O 2.87Å; S475-D496 WeakPolarHBondContact CB-OD2 3.49Å; S475-D496 WeakPolarHBondContact OG-CB 3.34Å; S475-D496 PolarHBondContact OG-N 3.06Å; S475-D496 PolarHBondContact OG-OD2 3.24Å; R494-D496 IonicContact CZ-OD1 2.72Å; R494-D496 IonicContact NE-OD1 2.66Å; R494-D496 PolarHBondContact NE-OD1 3.07Å; R494-D496 IonicContact NH2-OD1 2.71Å; R494-D496 PolarHBondContact NH2-OD1 2.64Å; R494-D496 IonicContact NH2-OD2 3.01Å
497	V	98.5	Very high	92.3	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.018	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.8	-179.5	-60.1	0	0	0	0	110.7	N430 W432 L457 A471 E472 F495	N430-V497 CarbonylContact C-O 3.42Å; N430-V497 WeakPolarHBondContact CA-O 3.44Å; N430-V497 WeakPolarHBondContact CB-O 3.33Å; N430-V497 PolarHBondContact O-N 3.44Å; N430-V497 PolarHBondContact OD1-O 3.2Å; W432-V497 HydrophobicContact CB-CG1 3.95Å; L457-V497 HydrophobicContact CD1-CG1 4.01Å; A471-V497 HydrophobicContact CB-CB 4.02Å; A471-V497 HydrophobicContact CB-CG2 4.32Å; E472-V497 CarbonylContact O-C 3.57Å; E472-V497 VanDerWaalsContact O-CA 3.28Å; E472-V497 WeakPolarHBondContact O-CA 3.31Å; F495-V497 HydrophobicContact CD2-CG1 3.69Å; F495-V497 HydrophobicContact CE2-CG1 3.47Å; F495-V497 VanDerWaalsContact CE2-CG1 3.47Å
498	R	98.2	Very high	93.1	Very high	115 Å²	115	48 Å²	48	43%	0.434	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	110.2	169.1	178.7	179	174.1	176.1	-2.4	109	A471 E472 K474	A471-R498 CarbonylContact C-O 3.17Å; A471-R498 VanDerWaalsContact CA-O 3.23Å; A471-R498 WeakPolarHBondContact CA-O 3.48Å; A471-R498 WeakPolarHBondContact CB-O 3.47Å; E472-R498 PolarHBondContact N-O 3.43Å; E472-R498 PolarHBondContact O-N 2.98Å; K474-R498 HydrophobicContact CG-CB 3.91Å
499	W	98.6	Very high	94.1	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	134.8	171.9	-75.2	85.7	0	0	0	111.1	Y398 I423 S426 I427 F459 A471 V502	Y398-W499 HydrophobicContact CD1-CB 4.41Å; Y398-W499 HydrophobicContact CE1-CB 3.82Å; I423-W499 HydrophobicContact CD1-CH2 4.39Å; I423-W499 HydrophobicContact CG2-CH2 3.82Å; I423-W499 HydrophobicContact CG2-CZ2 4.24Å; S426-W499 PolarHBondContact O-NE1 2.86Å; S426-W499 PolarHBondContact OG-NE1 2.89Å; I427-W499 HydrophobicContact CD1-CD2 4.4Å; I427-W499 HydrophobicContact CD1-CE3 4.39Å; I427-W499 HydrophobicContact CD1-CZ3 4.45Å; I427-W499 HydrophobicContact CG1-CD2 3.55Å; I427-W499 VanDerWaalsContact CG1-CE2 3.5Å; I427-W499 HydrophobicContact CG1-CE3 4.02Å; I427-W499 HydrophobicContact CG1-CG 3.84Å; I427-W499 HydrophobicContact CG1-CH2 4.35Å; I427-W499 HydrophobicContact CG1-CZ2 3.94Å; I427-W499 HydrophobicContact CG1-CZ3 4.39Å; F459-W499 HydrophobicContact CB-CH2 3.81Å; F459-W499 HydrophobicContact CB-CZ3 4.25Å; F459-W499 AromaticContact CD1-CH2 3.71Å; F459-W499 HydrophobicContact CD1-CH2 3.71Å; F459-W499 AromaticContact CD1-CZ2 3.98Å; F459-W499 HydrophobicContact CD1-CZ2 3.98Å; F459-W499 AromaticContact CD2-CH2 3.49Å; F459-W499 HydrophobicContact CD2-CH2 3.49Å; F459-W499 VanDerWaalsContact CD2-CH2 3.49Å; F459-W499 AromaticContact CD2-CZ2 4Å; F459-W499 HydrophobicContact CD2-CZ2 4Å; F459-W499 AromaticContact CD2-CZ3 3.86Å; F459-W499 HydrophobicContact CD2-CZ3 3.86Å; F459-W499 HydrophobicContact CE1-CH2 4.08Å; F459-W499 AromaticContact CE1-CZ2 3.88Å; F459-W499 HydrophobicContact CE1-CZ2 3.88Å; F459-W499 AromaticContact CE2-CH2 3.91Å; F459-W499 HydrophobicContact CE2-CH2 3.91Å; F459-W499 AromaticContact CE2-CZ2 3.92Å; F459-W499 HydrophobicContact CE2-CZ2 3.92Å; F459-W499 HydrophobicContact CE2-CZ3 4.42Å; F459-W499 AromaticContact CG-CH2 3.38Å; F459-W499 HydrophobicContact CG-CH2 3.38Å; F459-W499 HydrophobicContact CG-CZ2 4.03Å; F459-W499 HydrophobicContact CG-CZ3 4.06Å; F459-W499 HydrophobicContact CZ-CH2 4.18Å; F459-W499 AromaticContact CZ-CZ2 3.86Å; F459-W499 HydrophobicContact CZ-CZ2 3.86Å; A471-W499 HydrophobicContact CB-CB 4.5Å; A471-W499 HydrophobicContact CB-CD2 3.95Å; A471-W499 HydrophobicContact CB-CE3 4.39Å; A471-W499 HydrophobicContact CB-CG 4Å; W499-V502 HydrophobicContact CB-CG2 4.25Å; W499-V502 HydrophobicContact CD2-CG2 4.47Å; W499-V502 HydrophobicContact CE3-CG2 3.89Å
500	I	98.4	Very high	95.2	Very high	15 Å²	15	43.2 Å²	43.2	8%	0.077	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-50.4	-176.3	-65.1	170.2	0	0	0	109.8	Y398 N399 P400 F403 Y456 V470 E472	Y398-I500 CarbonylContact C-O 3.53Å; Y398-I500 WeakPolarHBondContact CA-O 3.48Å; N399-I500 PolarHBondContact N-O 3.22Å; P400-I500 WeakPolarHBondContact CD-O 3.14Å; P400-I500 HydrophobicContact CG-CG2 3.88Å; F403-I500 HydrophobicContact CD2-CG2 3.96Å; F403-I500 HydrophobicContact CE2-CD1 4.39Å; F403-I500 HydrophobicContact CE2-CG2 3.93Å; Y456-I500 HydrophobicContact CD1-CD1 4.24Å; Y456-I500 HydrophobicContact CE1-CD1 3.59Å; V470-I500 PolarHBondContact O-N 3.02Å; E472-I500 HydrophobicContact CB-CD1 3.97Å
501	F	98.6	Very high	96.1	Very high	1 Å²	1	43 Å²	43	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.3	172.3	-69.8	-74.1	0	0	0	109.5	N399 P400 F403 G469 V470 K503 I544 A545	N399-F501 HydrophobicContact CB-CD1 4.36Å; N399-F501 VanDerWaalsContact OD1-CA 3.29Å; N399-F501 WeakPolarHBondContact OD1-CA 3.39Å; N399-F501 WeakPolarHBondContact OD1-CD1 3.39Å; P400-F501 HydrophobicContact CG-CZ 4.34Å; F403-F501 HydrophobicContact CB-CE2 4.14Å; F403-F501 HydrophobicContact CB-CZ 3.7Å; F403-F501 AromaticContact CD1-CE2 3.73Å; F403-F501 HydrophobicContact CD1-CE2 3.73Å; F403-F501 HydrophobicContact CD1-CZ 4.05Å; F403-F501 AromaticContact CD2-CE2 3.81Å; F403-F501 HydrophobicContact CD2-CE2 3.81Å; F403-F501 HydrophobicContact CD2-CZ 4.19Å; F403-F501 HydrophobicContact CE1-CE2 4.06Å; F403-F501 HydrophobicContact CE2-CE2 4.14Å; F403-F501 AromaticContact CG-CE2 3.6Å; F403-F501 HydrophobicContact CG-CE2 3.6Å; F403-F501 AromaticContact CG-CZ 3.7Å; F403-F501 HydrophobicContact CG-CZ 3.7Å; F403-F501 HydrophobicContact CZ-CE2 4.26Å; G469-F501 CarbonylContact C-O 3.51Å; G469-F501 WeakPolarHBondContact CA-O 3.29Å; V470-F501 HydrophobicContact CB-CB 4.09Å; V470-F501 HydrophobicContact CB-CD2 4.1Å; V470-F501 HydrophobicContact CG2-CB 4.21Å; V470-F501 HydrophobicContact CG2-CD2 4.2Å; V470-F501 PolarHBondContact N-O 3.13Å; V470-F501 PolarHBondContact O-N 2.6Å; F501-K503 HydrophobicContact CB-CD 4.17Å; F501-K503 HydrophobicContact CB-CG 4.19Å; F501-K503 HydrophobicContact CD1-CD 3.68Å; F501-K503 HydrophobicContact CG-CD 4.28Å; F501-I544 HydrophobicContact CB-CG2 4.19Å; F501-I544 HydrophobicContact CD2-CG2 4.3Å; F501-I544 HydrophobicContact CG-CG2 4.14Å; F501-A545 HydrophobicContact CE1-CB 4.2Å; F501-A545 HydrophobicContact CE2-CB 4.29Å; F501-A545 HydrophobicContact CZ-CB 3.65Å
502	V	98.5	Very high	97.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	95.6	172.4	-179.3	0	0	0	0	105.6	Y398 N399 I427 W499 I553 F554	Y398-V502 HydrophobicContact CD1-CG2 4.09Å; Y398-V502 HydrophobicContact CE1-CG2 4.3Å; N399-V502 PolarHBondContact ND2-O 3.42Å; N399-V502 PolarHBondContact OD1-N 3.05Å; N399-V502 PolarHBondContact OD1-O 3.41Å; I427-V502 HydrophobicContact CD1-CG1 3.9Å; I427-V502 HydrophobicContact CD1-CG2 4.12Å; I427-V502 HydrophobicContact CG1-CG2 4.42Å; W499-V502 HydrophobicContact CB-CG2 4.25Å; W499-V502 HydrophobicContact CD2-CG2 4.47Å; W499-V502 HydrophobicContact CE3-CG2 3.89Å; V502-I553 HydrophobicContact CG1-CG2 3.66Å; V502-F554 HydrophobicContact CB-CD2 4.23Å; V502-F554 HydrophobicContact CB-CE1 4.44Å; V502-F554 HydrophobicContact CB-CE2 3.56Å; V502-F554 HydrophobicContact CB-CZ 3.69Å; V502-F554 HydrophobicContact CG1-CD1 4.13Å; V502-F554 HydrophobicContact CG1-CD2 3.85Å; V502-F554 HydrophobicContact CG1-CE1 3.9Å; V502-F554 HydrophobicContact CG1-CE2 3.59Å; V502-F554 HydrophobicContact CG1-CG 4.12Å; V502-F554 HydrophobicContact CG1-CZ 3.62Å; V502-F554 HydrophobicContact CG2-CE2 4.19Å; V502-F554 HydrophobicContact CG2-CZ 3.83Å
503	K	98.4	Very high	97.8	Very high	10 Å²	10	39.4 Å²	39.4	4%	0.043	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	141.9	-166.5	57.1	-173.6	-60.3	-170.2	0	110.9	N399 C468 F501 V505 I544 A545 Y547 H549	N399-K503 WeakPolarHBondContact OD1-CD 3.43Å; C468-K503 CarbonylContact C-O 3.47Å; C468-K503 WeakPolarHBondContact CA-O 3.08Å; C468-K503 CarbonylContact O-C 3.57Å; C468-K503 PolarHBondContact O-N 3.17Å; C468-K503 VanDerWaalsContact O-O 3.09Å; F501-K503 HydrophobicContact CB-CD 4.17Å; F501-K503 HydrophobicContact CB-CG 4.19Å; F501-K503 HydrophobicContact CD1-CD 3.68Å; F501-K503 HydrophobicContact CG-CD 4.28Å; K503-V505 HydrophobicContact CG-CG2 4.4Å; K503-I544 HydrophobicContact CD-CG2 4.44Å; K503-I544 VanDerWaalsContact CE-O 3.27Å; K503-I544 WeakPolarHBondContact CE-O 3.39Å; K503-I544 PolarHBondContact NZ-O 2.83Å; K503-A545 PolarHBondContact NZ-O 2.86Å; K503-Y547 WeakPolarHBondContact CE-O 3.4Å; K503-Y547 PolarHBondContact NZ-O 2.88Å; K503-H549 HydrophobicContact CB-CB 3.94Å; K503-H549 WeakPolarHBondContact CB-CD2 3.4Å
504	D	98.6	Very high	98.3	Very high	22 Å²	22	45 Å²	45	12%	0.118	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	130.3	179.4	-55.2	-23.1	0	0	0	111.6	H466 F467 Y547 T551 S552	H466-D504 IonicContact CD2-OD1 2.91Å; H466-D504 IonicContact NE2-OD1 2.79Å; F467-D504 CarbonylContact O-C 3.59Å; F467-D504 WeakPolarHBondContact O-CA 3.34Å; D504-Y547 WeakPolarHBondContact O-CD1 3.45Å; D504-Y547 WeakPolarHBondContact O-CE1 3.34Å; D504-T551 PolarHBondContact N-O 2.91Å; D504-T551 VanDerWaalsContact N-O 3.1Å; D504-T551 VanDerWaalsContact OD2-C 3.22Å; D504-T551 WeakPolarHBondContact OD2-CB 3.34Å; D504-T551 PolarHBondContact OD2-OG1 3.09Å; D504-S552 PolarHBondContact OD2-N 2.9Å
505	V	98.7	Very high	98.5	Very high	1 Å²	1	41 Å²	41	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	102.8	178.5	-175.5	0	0	0	0	108.2	H466 F467 K503 Q509 L510 I543 I544 Y547	H466-V505 WeakPolarHBondContact CA-O 3.25Å; H466-V505 WeakPolarHBondContact CB-O 3.28Å; F467-V505 PolarHBondContact N-O 3.43Å; F467-V505 PolarHBondContact O-N 3.33Å; K503-V505 HydrophobicContact CG-CG2 4.4Å; V505-Q509 HydrophobicContact CG1-CB 4.33Å; V505-L510 HydrophobicContact CG1-CD1 4.14Å; V505-L510 HydrophobicContact CG1-CG 4.37Å; V505-I543 HydrophobicContact CG1-CG2 4.34Å; V505-I544 HydrophobicContact CB-CG1 4.49Å; V505-I544 HydrophobicContact CG1-CG1 4.37Å; V505-I544 HydrophobicContact CG2-CB 4.42Å; V505-I544 HydrophobicContact CG2-CG1 4.19Å; V505-I544 HydrophobicContact CG2-CG2 4.24Å; V505-Y547 HydrophobicContact CB-CD1 4.35Å; V505-Y547 HydrophobicContact CG1-CD1 4.35Å; V505-Y547 HydrophobicContact CG1-CG 4.28Å; V505-Y547 HydrophobicContact CG2-CD1 3.95Å; V505-Y547 HydrophobicContact CG2-CG 4.38Å
506	P	98.7	Very high	98.5	Very high	42 Å²	42	46 Å²	46	27%	0.273	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	141.4	-175.6	-27.4	36	0	0	0	113.4	S508 Q509 Y547	P506-S508 PolarHBondContact O-N 2.84Å; P506-Q509 WeakPolarHBondContact O-CB 3.39Å; P506-Q509 PolarHBondContact O-N 2.87Å; P506-Y547 WeakPolarHBondContact CD-OH 3.24Å
507	N	98.7	Very high	98.5	Very high	34 Å²	34	47.1 Å²	47.1	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-58.8	-21.6	-179.4	-76.3	-5.7	0	0	0	113.3	G465 H466 F467 Q509 L510 R511 T524	G465-N507 VanDerWaalsContact C-CG 3.45Å; G465-N507 WeakPolarHBondContact O-CB 3.37Å; G465-N507 PolarHBondContact O-N 3.13Å; H466-N507 WeakPolarHBondContact CA-OD1 3.46Å; F467-N507 WeakPolarHBondContact CD2-OD1 3.45Å; N507-Q509 PolarHBondContact O-N 2.85Å; N507-L510 PolarHBondContact O-N 2.84Å; N507-L510 VanDerWaalsContact O-N 3.1Å; N507-R511 VanDerWaalsContact O-CB 3.3Å; N507-R511 WeakPolarHBondContact O-CB 3.31Å; N507-R511 WeakPolarHBondContact O-CG 3.4Å; N507-R511 PolarHBondContact O-N 3.09Å; N507-T524 HydrophobicContact CB-CG2 3.61Å
508	S	98.3	Very high	98.5	Very high	68 Å²	68	48.1 Å²	48.1	48%	0.476	22%	0.224	S	C	.	.	H	α-helix	trans	-58.2	-29.8	171.6	54.4	0	0	0	0	113.6	P506	P506-S508 PolarHBondContact O-N 2.84Å
509	Q	98.6	Very high	98.5	Very high	82 Å²	82	49.8 Å²	49.8	38%	0.383	24%	0.237	S	C	.	.	H	α-helix	trans	-76	-26.5	176.5	-57.4	-59.9	-45.6	0	0	112.7	V505 P506 N507 H512 I543 Y547	V505-Q509 HydrophobicContact CG1-CB 4.33Å; P506-Q509 WeakPolarHBondContact O-CB 3.39Å; P506-Q509 PolarHBondContact O-N 2.87Å; N507-Q509 PolarHBondContact O-N 2.85Å; Q509-H512 PolarHBondContact O-CE1 2.72Å; Q509-H512 PolarHBondContact O-ND1 3.21Å; Q509-I543 HydrophobicContact CB-CG2 4.07Å; Q509-Y547 HydrophobicContact CG-CD2 4.08Å; Q509-Y547 HydrophobicContact CG-CE2 3.83Å
510	L	98.6	Very high	98.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-110.2	-21.7	-170.3	-65.9	173.5	0	0	0	114	F467 V505 N507 H512 I513 V523 T524 V540 I543 I544	F467-L510 HydrophobicContact CB-CD1 4.43Å; F467-L510 HydrophobicContact CD2-CD1 3.5Å; F467-L510 HydrophobicContact CE2-CD1 3.95Å; F467-L510 HydrophobicContact CG-CD1 4.05Å; V505-L510 HydrophobicContact CG1-CD1 4.14Å; V505-L510 HydrophobicContact CG1-CG 4.37Å; N507-L510 PolarHBondContact O-N 2.84Å; N507-L510 VanDerWaalsContact O-N 3.1Å; L510-H512 PolarHBondContact O-N 3.41Å; L510-I513 HydrophobicContact CD2-CD1 4.33Å; L510-I513 PolarHBondContact O-N 2.66Å; L510-V523 HydrophobicContact CB-CG1 4.14Å; L510-V523 WeakPolarHBondContact O-CG1 3.47Å; L510-T524 HydrophobicContact CB-CG2 3.8Å; L510-V540 HydrophobicContact CD1-CG1 4.39Å; L510-V540 HydrophobicContact CD2-CB 4.39Å; L510-V540 HydrophobicContact CD2-CG1 3.98Å; L510-V540 HydrophobicContact CD2-CG2 4.39Å; L510-I543 HydrophobicContact CD2-CB 3.89Å; L510-I543 HydrophobicContact CD2-CD1 3.98Å; L510-I543 HydrophobicContact CD2-CG2 3.7Å; L510-I543 HydrophobicContact CG-CG2 4.43Å; L510-I544 HydrophobicContact CD1-CG1 4.49Å
511	R	98	Very high	98.4	Very high	167 Å²	167	56.7 Å²	56.7	63%	0.63	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-12.8	-174.7	65.9	177.7	-178.9	164.6	5	116.3	N507 P522 T524	N507-R511 VanDerWaalsContact O-CB 3.3Å; N507-R511 WeakPolarHBondContact O-CB 3.31Å; N507-R511 WeakPolarHBondContact O-CG 3.4Å; N507-R511 PolarHBondContact O-N 3.09Å; R511-P522 WeakPolarHBondContact O-CB 3.46Å; R511-T524 HydrophobicContact CB-CG2 4.22Å
512	H	98.5	Very high	98.4	Very high	126 Å²	126	57.7 Å²	57.7	58%	0.583	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-22.8	176.2	67.8	-94.4	0	0	0	112.4	Q509 L510 R514	Q509-H512 PolarHBondContact O-CE1 2.72Å; Q509-H512 PolarHBondContact O-ND1 3.21Å; L510-H512 PolarHBondContact O-N 3.41Å; H512-R514 PolarHBondContact O-N 2.9Å
513	I	98.6	Very high	98.4	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.015	28%	0.277	C	S	.	.			trans	-78.1	118.1	175.5	-59	171.1	0	0	0	108	L510 P522 V523 K536 Q539 V540 I543	L510-I513 HydrophobicContact CD2-CD1 4.33Å; L510-I513 PolarHBondContact O-N 2.66Å; I513-P522 CarbonylContact O-C 3.55Å; I513-P522 WeakPolarHBondContact O-CA 3.21Å; I513-V523 HydrophobicContact CB-CG1 4.02Å; I513-V523 HydrophobicContact CG2-CG1 4.36Å; I513-V523 PolarHBondContact O-N 2.95Å; I513-K536 HydrophobicContact CG2-CB 4.02Å; I513-K536 HydrophobicContact CG2-CD 4.14Å; I513-Q539 HydrophobicContact CD1-CB 3.61Å; I513-Q539 HydrophobicContact CG1-CB 4.3Å; I513-V540 HydrophobicContact CD1-CB 4.44Å; I513-V540 HydrophobicContact CD1-CG2 3.62Å; I513-V540 HydrophobicContact CG2-CG2 4.14Å; I513-I543 HydrophobicContact CD1-CD1 3.82Å
514	R	98.7	Very high	98.5	Very high	119 Å²	119	58 Å²	58	45%	0.449	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	146.6	-179.6	-66.4	176	172.9	-91.2	4.6	111.9	H512 N520 K521 K536	H512-R514 PolarHBondContact O-N 2.9Å; R514-N520 WeakPolarHBondContact CB-O 3.43Å; R514-N520 WeakPolarHBondContact CB-OD1 3.24Å; R514-N520 WeakPolarHBondContact CD-O 3.28Å; R514-N520 WeakPolarHBondContact CG-O 3.23Å; R514-N520 PolarHBondContact NH1-O 3.25Å; R514-K521 WeakPolarHBondContact CA-O 3.38Å; R514-K536 PolarHBondContact O-NZ 2.91Å
515	L	98.7	Very high	98.4	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	110	-175.6	-58.6	-171.6	0	0	0	111.2	N517 N518 N520 K521 V523 Q530 V532 K536	L515-N517 PolarHBondContact O-N 3.22Å; L515-N518 HydrophobicContact CB-CB 3.96Å; L515-N518 CarbonylContact O-C 3.55Å; L515-N518 PolarHBondContact O-N 3.46Å; L515-N520 WeakPolarHBondContact O-CA 3.49Å; L515-N520 PolarHBondContact O-N 3.12Å; L515-K521 PolarHBondContact N-O 3.23Å; L515-V523 HydrophobicContact CD1-CB 4.36Å; L515-V523 HydrophobicContact CD1-CG2 4.22Å; L515-V523 HydrophobicContact CD2-CB 4.12Å; L515-V523 HydrophobicContact CD2-CG2 4.21Å; L515-V523 HydrophobicContact CG-CB 4.15Å; L515-V523 HydrophobicContact CG-CG2 4.43Å; L515-Q530 HydrophobicContact CD1-CG 3.76Å; L515-V532 HydrophobicContact CD2-CG1 3.91Å; L515-K536 HydrophobicContact CD2-CB 4.16Å; L515-K536 HydrophobicContact CD2-CG 4.5Å
516	E	98.1	Very high	98.4	Very high	104 Å²	104	62.1 Å²	62.1	49%	0.486	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-32.5	178	57.9	-88.6	-134.4	0	0	112.6	N518 P533 K536	E516-N518 VanDerWaalsContact C-N 3.29Å; E516-N518 PolarHBondContact O-N 3.32Å; E516-P533 HydrophobicContact CG-CG 4.14Å; E516-P533 WeakPolarHBondContact OE1-CB 3.31Å; E516-K536 IonicContact OE1-NZ 2.64Å; E516-K536 WeakPolarHBondContact OE2-CG 3.28Å; E516-K536 IonicContact OE2-NZ 3.34Å; E516-K536 PolarHBondContact OE2-NZ 3.36Å
517	N	98.2	Very high	98.4	Very high	76 Å²	76	70.3 Å²	70.3	41%	0.406	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	14.9	176.5	69.2	-26.5	0	0	0	114.1	L515 Q530 E531 P533	L515-N517 PolarHBondContact O-N 3.22Å; N517-Q530 PolarHBondContact ND2-NE2 2.84Å; N517-E531 PolarHBondContact ND2-O 3.49Å; N517-E531 PolarHBondContact OD1-O 3.09Å; N517-P533 HydrophobicContact CB-CG 4.4Å; N517-P533 WeakPolarHBondContact OD1-CD 3.42Å; N517-P533 WeakPolarHBondContact OD1-CG 2.8Å
518	N	98.1	Very high	98.4	Very high	23 Å²	23	70.6 Å²	70.6	12%	0.123	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-148.8	59.6	177.9	-179.9	22.2	0	0	0	109.6	L515 E516 N520 K521	L515-N518 HydrophobicContact CB-CB 3.96Å; L515-N518 CarbonylContact O-C 3.55Å; L515-N518 PolarHBondContact O-N 3.46Å; E516-N518 VanDerWaalsContact C-N 3.29Å; E516-N518 PolarHBondContact O-N 3.32Å; N518-N520 PolarHBondContact O-N 3.32Å; N518-K521 VanDerWaalsContact O-CB 3.23Å; N518-K521 WeakPolarHBondContact O-CB 3.43Å; N518-K521 WeakPolarHBondContact O-CG 3.22Å; N518-K521 PolarHBondContact O-N 2.85Å
519	E	98.1	Very high	98.4	Very high	151 Å²	151	67.4 Å²	67.4	71%	0.706	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	29.5	176.1	-61.7	160.3	-107.2	0	0	114.3	K521	E519-K521 HydrophobicContact CB-CD 4.13Å; E519-K521 HydrophobicContact CB-CG 4.18Å; E519-K521 PolarHBondContact O-N 3.08Å; E519-K521 VanDerWaalsContact O-N 3.1Å; E519-K521 IonicContact OE1-NZ 2.66Å; E519-K521 PolarHBondContact OE1-NZ 3.1Å; E519-K521 WeakPolarHBondContact OE2-CE 3.28Å; E519-K521 IonicContact OE2-NZ 2.66Å; E519-K521 PolarHBondContact OE2-NZ 3.36Å
520	N	97.8	Very high	98.4	Very high	88 Å²	88	64.8 Å²	64.8	47%	0.471	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	24.8	-173.2	-155.8	21.7	0	0	0	113.8	R514 L515 N518	R514-N520 WeakPolarHBondContact CB-O 3.43Å; R514-N520 WeakPolarHBondContact CB-OD1 3.24Å; R514-N520 WeakPolarHBondContact CD-O 3.28Å; R514-N520 WeakPolarHBondContact CG-O 3.23Å; R514-N520 PolarHBondContact NH1-O 3.25Å; L515-N520 WeakPolarHBondContact O-CA 3.49Å; L515-N520 PolarHBondContact O-N 3.12Å; N518-N520 PolarHBondContact O-N 3.32Å
521	K	98.5	Very high	98.4	Very high	74 Å²	74	67.2 Å²	67.2	32%	0.322	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	151.4	176.8	-68.9	166.6	179.9	165.2	0	110.5	R514 L515 N518 E519	R514-K521 WeakPolarHBondContact CA-O 3.38Å; L515-K521 PolarHBondContact N-O 3.23Å; N518-K521 VanDerWaalsContact O-CB 3.23Å; N518-K521 WeakPolarHBondContact O-CB 3.43Å; N518-K521 WeakPolarHBondContact O-CG 3.22Å; N518-K521 PolarHBondContact O-N 2.85Å; E519-K521 HydrophobicContact CB-CD 4.13Å; E519-K521 HydrophobicContact CB-CG 4.18Å; E519-K521 PolarHBondContact O-N 3.08Å; E519-K521 VanDerWaalsContact O-N 3.1Å; E519-K521 IonicContact OE1-NZ 2.66Å; E519-K521 PolarHBondContact OE1-NZ 3.1Å; E519-K521 WeakPolarHBondContact OE2-CE 3.28Å; E519-K521 IonicContact OE2-NZ 2.66Å; E519-K521 PolarHBondContact OE2-NZ 3.36Å
522	P	98.6	Very high	98.4	Very high	21 Å²	21	59.4 Å²	59.4	14%	0.136	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	142.7	171	-27	36.6	0	0	0	112.3	R511 I513 T524 N525	R511-P522 WeakPolarHBondContact O-CB 3.46Å; I513-P522 CarbonylContact O-C 3.55Å; I513-P522 WeakPolarHBondContact O-CA 3.21Å; P522-T524 WeakPolarHBondContact CB-OG1 3.44Å; P522-T524 PolarHBondContact O-N 2.98Å; P522-T524 VanDerWaalsContact O-N 3.11Å; P522-N525 WeakPolarHBondContact O-CB 3.39Å; P522-N525 PolarHBondContact O-N 3.42Å
523	V	98.7	Very high	98.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-55.9	-29.8	175.9	65.2	0	0	0	0	112.5	I414 L510 I513 L515 N525 S526 V532 V540	I414-V523 HydrophobicContact CD1-CG2 3.78Å; I414-V523 HydrophobicContact CG1-CG2 4.42Å; L510-V523 HydrophobicContact CB-CG1 4.14Å; L510-V523 WeakPolarHBondContact O-CG1 3.47Å; I513-V523 HydrophobicContact CB-CG1 4.02Å; I513-V523 HydrophobicContact CG2-CG1 4.36Å; I513-V523 PolarHBondContact O-N 2.95Å; L515-V523 HydrophobicContact CD1-CB 4.36Å; L515-V523 HydrophobicContact CD1-CG2 4.22Å; L515-V523 HydrophobicContact CD2-CB 4.12Å; L515-V523 HydrophobicContact CD2-CG2 4.21Å; L515-V523 HydrophobicContact CG-CB 4.15Å; L515-V523 HydrophobicContact CG-CG2 4.43Å; V523-N525 PolarHBondContact O-N 3.02Å; V523-S526 VanDerWaalsContact O-CB 3.31Å; V523-S526 WeakPolarHBondContact O-CB 3.19Å; V523-S526 PolarHBondContact O-N 2.76Å; V523-S526 PolarHBondContact O-OG 3.19Å; V523-V532 HydrophobicContact CG2-CG2 4.38Å; V523-V540 HydrophobicContact CG1-CG2 4.15Å; V523-V540 HydrophobicContact CG2-CG2 4.22Å
524	T	98.6	Very high	98.4	Very high	17 Å²	17	57 Å²	57	10%	0.104	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-65.7	-17.4	175.3	53.6	0	0	0	0	114.5	F467 N507 L510 R511 P522	F467-T524 HydrophobicContact CE2-CG2 4.37Å; N507-T524 HydrophobicContact CB-CG2 3.61Å; L510-T524 HydrophobicContact CB-CG2 3.8Å; R511-T524 HydrophobicContact CB-CG2 4.22Å; P522-T524 WeakPolarHBondContact CB-OG1 3.44Å; P522-T524 PolarHBondContact O-N 2.98Å; P522-T524 VanDerWaalsContact O-N 3.11Å
525	N	98.4	Very high	98.3	Very high	105 Å²	105	56.4 Å²	56.4	56%	0.561	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-101.8	12.5	-176.6	-62.8	34.8	0	0	0	111.8	P522 V523	P522-N525 WeakPolarHBondContact O-CB 3.39Å; P522-N525 PolarHBondContact O-N 3.42Å; V523-N525 PolarHBondContact O-N 3.02Å
526	S	98.5	Very high	98.3	Very high	5 Å²	5	58.4 Å²	58.4	4%	0.035	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-70.9	146.2	-178.4	-59.3	0	0	0	0	113.2	V523	V523-S526 VanDerWaalsContact O-CB 3.31Å; V523-S526 WeakPolarHBondContact O-CB 3.19Å; V523-S526 PolarHBondContact O-N 2.76Å; V523-S526 PolarHBondContact O-OG 3.19Å
527	R	98.1	Very high	98.4	Very high	213 Å²	213	53.5 Å²	53.5	80%	0.804	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-81.9	171	167.2	-69.9	-177.8	172.6	175.5	-2	110.9	Q530	R527-Q530 WeakPolarHBondContact O-CB 3.19Å; R527-Q530 PolarHBondContact O-N 2.91Å
528	D	98.2	Very high	98.4	Very high	40 Å²	40	51.1 Å²	51.1	21%	0.214	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	137.5	177.5	-165.5	43	0	0	0	111.9	I415 K416 S434 Q530	I415-D528 WeakPolarHBondContact CA-OD1 3.27Å; K416-D528 HydrophobicContact CB-CB 4.05Å; K416-D528 HydrophobicContact CG-CB 4.46Å; K416-D528 PolarHBondContact N-OD1 3Å; S434-D528 PolarHBondContact OG-OD2 3.19Å; D528-Q530 PolarHBondContact O-N 3.1Å
529	T	98.3	Very high	98.4	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.012	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	28.4	-174.5	71.6	0	0	0	0	115.4	I414 I415 G438 R441 L442 E531	I414-T529 VanDerWaalsContact O-CA 3.31Å; I414-T529 WeakPolarHBondContact O-CA 3.39Å; I414-T529 PolarHBondContact O-N 3.01Å; I415-T529 HydrophobicContact CD1-CG2 4.16Å; G438-T529 VanDerWaalsContact CA-CG2 3.45Å; R441-T529 WeakPolarHBondContact CD-O 3.24Å; R441-T529 PolarHBondContact NH1-O 2.97Å; L442-T529 HydrophobicContact CD1-CG2 3.93Å; L442-T529 HydrophobicContact CD2-CG2 4.38Å; L442-T529 HydrophobicContact CG-CG2 3.99Å; T529-E531 PolarHBondContact O-N 2.93Å
530	Q	98.7	Very high	98.4	Very high	26 Å²	26	47 Å²	47	12%	0.121	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	125.3	162.5	176	60.1	52	0	0	109.5	F413 I414 L515 N517 R527 D528	F413-Q530 CarbonylContact C-O 3.43Å; F413-Q530 VanDerWaalsContact CA-O 3.29Å; F413-Q530 WeakPolarHBondContact CA-O 3.37Å; I414-Q530 HydrophobicContact CB-CB 4.3Å; I414-Q530 HydrophobicContact CG1-CB 4.24Å; I414-Q530 PolarHBondContact N-O 3.49Å; L515-Q530 HydrophobicContact CD1-CG 3.76Å; N517-Q530 PolarHBondContact ND2-NE2 2.84Å; R527-Q530 WeakPolarHBondContact O-CB 3.19Å; R527-Q530 PolarHBondContact O-N 2.91Å; D528-Q530 PolarHBondContact O-N 3.1Å
531	E	98.7	Very high	98.5	Very high	51 Å²	51	42.9 Å²	42.9	24%	0.238	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	137.2	173	-170.3	153.8	-158.7	0	0	110.8	R411 F413 N517 T529	R411-E531 IonicContact CZ-OE1 2.63Å; R411-E531 VanDerWaalsContact CZ-OE1 3.28Å; R411-E531 IonicContact CZ-OE2 3.48Å; R411-E531 IonicContact NE-OE1 2.86Å; R411-E531 PolarHBondContact NE-OE1 2.87Å; R411-E531 IonicContact NE-OE2 3.21Å; R411-E531 VanDerWaalsContact NH2-CD 3.27Å; R411-E531 IonicContact NH2-OE1 3.1Å; R411-E531 PolarHBondContact NH2-OE1 3.47Å; R411-E531 IonicContact NH2-OE2 2.93Å; R411-E531 PolarHBondContact NH2-OE2 3.48Å; F413-E531 HydrophobicContact CD1-CB 3.85Å; F413-E531 HydrophobicContact CD1-CG 4.23Å; F413-E531 HydrophobicContact CE1-CB 3.59Å; F413-E531 HydrophobicContact CE1-CG 3.75Å; F413-E531 HydrophobicContact CZ-CB 4.38Å; F413-E531 HydrophobicContact CZ-CG 4.04Å; N517-E531 PolarHBondContact ND2-O 3.49Å; N517-E531 PolarHBondContact OD1-O 3.09Å; T529-E531 PolarHBondContact O-N 2.93Å
532	V	98.8	Very high	98.5	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	116.3	178.5	-175.6	0	0	0	0	108.3	V412 I414 L515 V523 K536 A537	V412-V532 HydrophobicContact CB-CB 4.36Å; V412-V532 HydrophobicContact CG1-CB 4.41Å; V412-V532 PolarHBondContact O-N 3.21Å; I414-V532 HydrophobicContact CD1-CG2 3.51Å; I414-V532 HydrophobicContact CG1-CG2 3.81Å; L515-V532 HydrophobicContact CD2-CG1 3.91Å; V523-V532 HydrophobicContact CG2-CG2 4.38Å; V532-K536 HydrophobicContact CG1-CB 4.02Å; V532-A537 HydrophobicContact CB-CB 4.28Å; V532-A537 HydrophobicContact CG1-CB 3.81Å
533	P	98.3	Very high	98.5	Very high	30 Å²	30	44.9 Å²	44.9	20%	0.195	21%	0.209	C	C	.	.			trans	-55.8	141.4	176.8	-28.2	38.2	0	0	0	111.9	E516 N517 E535 K536 A537	E516-P533 HydrophobicContact CG-CG 4.14Å; E516-P533 WeakPolarHBondContact OE1-CB 3.31Å; N517-P533 HydrophobicContact CB-CG 4.4Å; N517-P533 WeakPolarHBondContact OD1-CD 3.42Å; N517-P533 WeakPolarHBondContact OD1-CG 2.8Å; P533-E535 VanDerWaalsContact C-N 3.31Å; P533-E535 PolarHBondContact O-N 2.63Å; P533-E535 VanDerWaalsContact O-N 3.13Å; P533-K536 CarbonylContact O-C 3.59Å; P533-K536 WeakPolarHBondContact O-CA 3.45Å; P533-K536 WeakPolarHBondContact O-CB 3.45Å; P533-K536 PolarHBondContact O-N 3.03Å; P533-A537 PolarHBondContact O-N 3.19Å
534	L	97.7	Very high	98.4	Very high	48 Å²	48	44.9 Å²	44.9	25%	0.251	21%	0.209	S	C	.	.	H	α-helix	trans	-55.3	-40.7	-163.2	-170	63.9	0	0	0	113.6	L407 K536 A537 K538	L407-L534 HydrophobicContact CB-CD1 4.03Å; L407-L534 HydrophobicContact CD1-CD1 4.41Å; L534-K536 PolarHBondContact O-N 3.06Å; L534-A537 WeakPolarHBondContact O-CB 3.49Å; L534-A537 PolarHBondContact O-N 3.37Å; L534-K538 WeakPolarHBondContact O-CG 3.42Å; L534-K538 PolarHBondContact O-N 2.95Å
535	E	98.1	Very high	98.4	Very high	108 Å²	108	45.2 Å²	45.2	51%	0.505	21%	0.214	S	C	.	.	H	α-helix	trans	-67.7	-32.9	178.2	-57.4	-45.7	122.7	0	0	113.3	P533 K538 Q539	P533-E535 VanDerWaalsContact C-N 3.31Å; P533-E535 PolarHBondContact O-N 2.63Å; P533-E535 VanDerWaalsContact O-N 3.13Å; E535-K538 IonicContact OE1-NZ 3.62Å; E535-K538 PolarHBondContact OE1-NZ 2.9Å; E535-K538 WeakPolarHBondContact OE2-CD 3.18Å; E535-K538 IonicContact OE2-NZ 2.76Å; E535-K538 PolarHBondContact OE2-NZ 2.78Å; E535-Q539 WeakPolarHBondContact O-CG 3.27Å
536	K	98.6	Very high	98.4	Very high	42 Å²	42	44.5 Å²	44.5	18%	0.183	22%	0.217	C	C	.	.	H	α-helix	trans	-74.5	-35.7	171.9	-55.2	-60.6	173.2	58.3	0	110.8	I513 R514 L515 E516 V532 P533 L534 Q539 V540	I513-K536 HydrophobicContact CG2-CB 4.02Å; I513-K536 HydrophobicContact CG2-CD 4.14Å; R514-K536 PolarHBondContact O-NZ 2.91Å; L515-K536 HydrophobicContact CD2-CB 4.16Å; L515-K536 HydrophobicContact CD2-CG 4.5Å; E516-K536 IonicContact OE1-NZ 2.64Å; E516-K536 WeakPolarHBondContact OE2-CG 3.28Å; E516-K536 IonicContact OE2-NZ 3.34Å; E516-K536 PolarHBondContact OE2-NZ 3.36Å; V532-K536 HydrophobicContact CG1-CB 4.02Å; P533-K536 CarbonylContact O-C 3.59Å; P533-K536 WeakPolarHBondContact O-CA 3.45Å; P533-K536 WeakPolarHBondContact O-CB 3.45Å; P533-K536 PolarHBondContact O-N 3.03Å; L534-K536 PolarHBondContact O-N 3.06Å; K536-Q539 WeakPolarHBondContact O-CB 3.48Å; K536-Q539 PolarHBondContact O-N 3.37Å; K536-V540 WeakPolarHBondContact O-CG2 3.35Å; K536-V540 PolarHBondContact O-N 3.47Å; K536-V540 VanDerWaalsContact O-N 3.07Å
537	A	98.7	Very high	98.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.3	-41.7	176.7	0	0	0	0	0	112.1	V412 V532 P533 L534 Q539 V540 L541	V412-A537 HydrophobicContact CB-CB 3.73Å; V412-A537 HydrophobicContact CG1-CB 4.06Å; V412-A537 HydrophobicContact CG2-CB 3.66Å; V532-A537 HydrophobicContact CB-CB 4.28Å; V532-A537 HydrophobicContact CG1-CB 3.81Å; P533-A537 PolarHBondContact O-N 3.19Å; L534-A537 WeakPolarHBondContact O-CB 3.49Å; L534-A537 PolarHBondContact O-N 3.37Å; A537-Q539 VanDerWaalsContact C-N 3.3Å; A537-Q539 PolarHBondContact O-N 2.86Å; A537-V540 PolarHBondContact O-N 3.28Å; A537-L541 WeakPolarHBondContact O-CB 3.4Å; A537-L541 WeakPolarHBondContact O-CG 3.33Å; A537-L541 PolarHBondContact O-N 3.07Å
538	K	98.5	Very high	98.3	Very high	27 Å²	27	45.9 Å²	45.9	12%	0.117	23%	0.227	C	C	.	.	H	α-helix	trans	-55.1	-43.6	172.3	-68.8	170.7	-174.5	165.5	0	112.2	W405 L407 L534 E535 K542	W405-K538 WeakPolarHBondContact O-CA 3.41Å; W405-K538 WeakPolarHBondContact O-CG 3.32Å; L407-K538 WeakPolarHBondContact O-CE 3.45Å; L534-K538 WeakPolarHBondContact O-CG 3.42Å; L534-K538 PolarHBondContact O-N 2.95Å; E535-K538 IonicContact OE1-NZ 3.62Å; E535-K538 PolarHBondContact OE1-NZ 2.9Å; E535-K538 WeakPolarHBondContact OE2-CD 3.18Å; E535-K538 IonicContact OE2-NZ 2.76Å; E535-K538 PolarHBondContact OE2-NZ 2.78Å; K538-K542 VanDerWaalsContact O-CB 3.26Å; K538-K542 WeakPolarHBondContact O-CB 2.9Å; K538-K542 PolarHBondContact O-N 3.43Å
539	Q	98.5	Very high	98.3	Very high	88 Å²	88	47.4 Å²	47.4	41%	0.411	23%	0.233	S	C	.	.	H	α-helix	trans	-64.1	-46.7	178.7	-63.5	168.2	16.9	0	0	111.3	I513 E535 K536 A537 K542 I543	I513-Q539 HydrophobicContact CD1-CB 3.61Å; I513-Q539 HydrophobicContact CG1-CB 4.3Å; E535-Q539 WeakPolarHBondContact O-CG 3.27Å; K536-Q539 WeakPolarHBondContact O-CB 3.48Å; K536-Q539 PolarHBondContact O-N 3.37Å; A537-Q539 VanDerWaalsContact C-N 3.3Å; A537-Q539 PolarHBondContact O-N 2.86Å; Q539-K542 PolarHBondContact O-N 3.35Å; Q539-I543 WeakPolarHBondContact O-CG1 3.42Å; Q539-I543 PolarHBondContact O-N 2.87Å; Q539-I543 VanDerWaalsContact O-N 3.13Å
540	V	98.7	Very high	98.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.1	-47.7	177.7	177.6	0	0	0	0	111.3	L458 L510 I513 V523 K536 A537 K542 I543 I544	L458-V540 HydrophobicContact CD1-CB 4.38Å; L458-V540 HydrophobicContact CD1-CG1 3.69Å; L510-V540 HydrophobicContact CD1-CG1 4.39Å; L510-V540 HydrophobicContact CD2-CB 4.39Å; L510-V540 HydrophobicContact CD2-CG1 3.98Å; L510-V540 HydrophobicContact CD2-CG2 4.39Å; I513-V540 HydrophobicContact CD1-CB 4.44Å; I513-V540 HydrophobicContact CD1-CG2 3.62Å; I513-V540 HydrophobicContact CG2-CG2 4.14Å; V523-V540 HydrophobicContact CG1-CG2 4.15Å; V523-V540 HydrophobicContact CG2-CG2 4.22Å; K536-V540 WeakPolarHBondContact O-CG2 3.35Å; K536-V540 PolarHBondContact O-N 3.47Å; K536-V540 VanDerWaalsContact O-N 3.07Å; A537-V540 PolarHBondContact O-N 3.28Å; V540-K542 PolarHBondContact O-N 2.79Å; V540-I543 PolarHBondContact O-N 2.92Å; V540-I544 HydrophobicContact CG1-CD1 3.67Å; V540-I544 HydrophobicContact CG1-CG1 4.29Å; V540-I544 WeakPolarHBondContact O-CG1 3.23Å; V540-I544 PolarHBondContact O-N 2.88Å
541	L	98.6	Very high	98.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-40.7	178.7	-73.1	170.4	0	0	0	112.2	F403 W405 L407 Y456 L458 V470 A537 I543 I544 A545	F403-L541 HydrophobicContact CE1-CB 4.31Å; F403-L541 HydrophobicContact CE1-CD1 4.47Å; F403-L541 HydrophobicContact CE1-CD2 4.16Å; F403-L541 HydrophobicContact CZ-CD2 4.37Å; W405-L541 HydrophobicContact CB-CB 3.84Å; L407-L541 HydrophobicContact CD1-CD1 3.6Å; L407-L541 HydrophobicContact CG-CD1 4.2Å; Y456-L541 HydrophobicContact CD2-CD1 4.26Å; L458-L541 HydrophobicContact CD2-CD2 3.89Å; V470-L541 HydrophobicContact CG1-CD2 4.26Å; V470-L541 HydrophobicContact CG2-CD2 4.44Å; A537-L541 WeakPolarHBondContact O-CB 3.4Å; A537-L541 WeakPolarHBondContact O-CG 3.33Å; A537-L541 PolarHBondContact O-N 3.07Å; L541-I543 VanDerWaalsContact C-N 3.34Å; L541-I543 PolarHBondContact O-N 3.42Å; L541-I544 PolarHBondContact O-N 3.43Å; L541-A545 VanDerWaalsContact O-CB 3.31Å; L541-A545 WeakPolarHBondContact O-CB 3.37Å; L541-A545 PolarHBondContact O-N 2.95Å
542	K	98.4	Very high	98.1	Very high	103 Å²	103	53.2 Å²	53.2	45%	0.448	27%	0.274	S	S	.	.	H	α-helix	trans	-60.1	-43.1	175	-174.8	179.9	-177.7	179	0	111.8	W405 K538 Q539 V540 S546	W405-K542 HydrophobicContact CB-CB 4.27Å; W405-K542 HydrophobicContact CD2-CB 3.67Å; W405-K542 HydrophobicContact CD2-CD 4.11Å; W405-K542 HydrophobicContact CD2-CG 3.8Å; W405-K542 HydrophobicContact CE3-CB 3.83Å; W405-K542 HydrophobicContact CE3-CD 4.01Å; W405-K542 HydrophobicContact CE3-CG 4.12Å; W405-K542 HydrophobicContact CG-CB 3.85Å; W405-K542 HydrophobicContact CG-CG 4.22Å; W405-K542 HydrophobicContact CH2-CD 3.86Å; W405-K542 HydrophobicContact CZ2-CD 3.91Å; W405-K542 HydrophobicContact CZ2-CG 4.24Å; W405-K542 HydrophobicContact CZ3-CD 3.89Å; W405-K542 HydrophobicContact CZ3-CG 4.49Å; K538-K542 VanDerWaalsContact O-CB 3.26Å; K538-K542 WeakPolarHBondContact O-CB 2.9Å; K538-K542 PolarHBondContact O-N 3.43Å; Q539-K542 PolarHBondContact O-N 3.35Å; V540-K542 PolarHBondContact O-N 2.79Å; K542-S546 WeakPolarHBondContact O-CB 3.23Å; K542-S546 PolarHBondContact O-N 3.15Å; K542-S546 VanDerWaalsContact O-N 3.08Å; K542-S546 PolarHBondContact O-OG 3.38Å
543	I	98.5	Very high	98	Very high	34 Å²	34	53.7 Å²	53.7	17%	0.174	28%	0.276	C	S	.	.	H	α-helix	trans	-67.6	-47.8	177.6	-67.5	169.1	0	0	0	110.3	V505 Q509 L510 I513 Q539 V540 L541 A545 S546 Y547	V505-I543 HydrophobicContact CG1-CG2 4.34Å; Q509-I543 HydrophobicContact CB-CG2 4.07Å; L510-I543 HydrophobicContact CD2-CB 3.89Å; L510-I543 HydrophobicContact CD2-CD1 3.98Å; L510-I543 HydrophobicContact CD2-CG2 3.7Å; L510-I543 HydrophobicContact CG-CG2 4.43Å; I513-I543 HydrophobicContact CD1-CD1 3.82Å; Q539-I543 WeakPolarHBondContact O-CG1 3.42Å; Q539-I543 PolarHBondContact O-N 2.87Å; Q539-I543 VanDerWaalsContact O-N 3.13Å; V540-I543 PolarHBondContact O-N 2.92Å; L541-I543 VanDerWaalsContact C-N 3.34Å; L541-I543 PolarHBondContact O-N 3.42Å; I543-A545 PolarHBondContact O-N 3.13Å; I543-S546 PolarHBondContact O-N 2.88Å; I543-S546 PolarHBondContact O-OG 3.39Å; I543-Y547 VanDerWaalsContact O-CB 3.24Å; I543-Y547 WeakPolarHBondContact O-CB 3.44Å; I543-Y547 PolarHBondContact O-N 3.33Å
544	I	98.5	Very high	97.9	Very high	1 Å²	1	53 Å²	53	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-60.7	-43.8	179.2	-67.3	172.9	0	0	0	111.3	L458 V470 F501 K503 V505 L510 V540 L541	L458-I544 HydrophobicContact CD2-CD1 4.3Å; V470-I544 HydrophobicContact CG2-CD1 3.96Å; V470-I544 HydrophobicContact CG2-CG2 3.93Å; F501-I544 HydrophobicContact CB-CG2 4.19Å; F501-I544 HydrophobicContact CD2-CG2 4.3Å; F501-I544 HydrophobicContact CG-CG2 4.14Å; K503-I544 HydrophobicContact CD-CG2 4.44Å; K503-I544 VanDerWaalsContact CE-O 3.27Å; K503-I544 WeakPolarHBondContact CE-O 3.39Å; K503-I544 PolarHBondContact NZ-O 2.83Å; V505-I544 HydrophobicContact CB-CG1 4.49Å; V505-I544 HydrophobicContact CG1-CG1 4.37Å; V505-I544 HydrophobicContact CG2-CB 4.42Å; V505-I544 HydrophobicContact CG2-CG1 4.19Å; V505-I544 HydrophobicContact CG2-CG2 4.24Å; L510-I544 HydrophobicContact CD1-CG1 4.49Å; V540-I544 HydrophobicContact CG1-CD1 3.67Å; V540-I544 HydrophobicContact CG1-CG1 4.29Å; V540-I544 WeakPolarHBondContact O-CG1 3.23Å; V540-I544 PolarHBondContact O-N 2.88Å; L541-I544 PolarHBondContact O-N 3.43Å
545	A	98.1	Very high	97.8	Very high	24 Å²	24	55.1 Å²	55.1	20%	0.198	28%	0.282	C	S	.	.	H	α-helix	trans	-61.5	-53.1	177.3	0	0	0	0	0	111.6	F403 F501 K503 L541 I543	F403-A545 HydrophobicContact CD1-CB 4.44Å; F501-A545 HydrophobicContact CE1-CB 4.2Å; F501-A545 HydrophobicContact CE2-CB 4.29Å; F501-A545 HydrophobicContact CZ-CB 3.65Å; K503-A545 PolarHBondContact NZ-O 2.86Å; L541-A545 VanDerWaalsContact O-CB 3.31Å; L541-A545 WeakPolarHBondContact O-CB 3.37Å; L541-A545 PolarHBondContact O-N 2.95Å; I543-A545 PolarHBondContact O-N 3.13Å
546	S	97.7	Very high	97.6	Very high	89 Å²	89	54.4 Å²	54.4	62%	0.622	28%	0.282	S	S	*	.	H	α-helix	trans	-76.1	-21	-173.8	61	0	0	0	0	115.6	K542 I543 K548	K542-S546 WeakPolarHBondContact O-CB 3.23Å; K542-S546 PolarHBondContact O-N 3.15Å; K542-S546 VanDerWaalsContact O-N 3.08Å; K542-S546 PolarHBondContact O-OG 3.38Å; I543-S546 PolarHBondContact O-N 2.88Å; I543-S546 PolarHBondContact O-OG 3.39Å; S546-K548 PolarHBondContact O-N 3.29Å
547	Y	98.2	Very high	97.3	Very high	56 Å²	56	52.5 Å²	52.5	22%	0.22	27%	0.273	C	S	.	.			trans	-61.3	128.5	-176.9	-175	-107	0	0	0	112.5	K503 D504 V505 P506 Q509 I543 H549	K503-Y547 WeakPolarHBondContact CE-O 3.4Å; K503-Y547 PolarHBondContact NZ-O 2.88Å; D504-Y547 WeakPolarHBondContact O-CD1 3.45Å; D504-Y547 WeakPolarHBondContact O-CE1 3.34Å; V505-Y547 HydrophobicContact CB-CD1 4.35Å; V505-Y547 HydrophobicContact CG1-CD1 4.35Å; V505-Y547 HydrophobicContact CG1-CG 4.28Å; V505-Y547 HydrophobicContact CG2-CD1 3.95Å; V505-Y547 HydrophobicContact CG2-CG 4.38Å; P506-Y547 WeakPolarHBondContact CD-OH 3.24Å; Q509-Y547 HydrophobicContact CG-CD2 4.08Å; Q509-Y547 HydrophobicContact CG-CE2 3.83Å; I543-Y547 VanDerWaalsContact O-CB 3.24Å; I543-Y547 WeakPolarHBondContact O-CB 3.44Å; I543-Y547 PolarHBondContact O-N 3.33Å; Y547-H549 HydrophobicContact CD1-CB 4.18Å; Y547-H549 HydrophobicContact CE1-CB 4.3Å; Y547-H549 PolarHBondContact O-N 2.94Å
548	K	97.6	Very high	97.1	Very high	192 Å²	192	55 Å²	55	84%	0.835	29%	0.29	S	S	*	.			trans	-81.5	81.5	174.2	-64.8	-175.8	-178.1	-179.4	0	109.7	S546	S546-K548 PolarHBondContact O-N 3.29Å
549	H	97.3	Very high	96.9	Very high	72 Å²	72	58.2 Å²	58.2	33%	0.333	31%	0.306	S	S	.	.			trans	-57.7	151.2	174.4	70.9	-28.5	0	0	0	112.1	K503 Y547 T551	K503-H549 HydrophobicContact CB-CB 3.94Å; K503-H549 WeakPolarHBondContact CB-CD2 3.4Å; Y547-H549 HydrophobicContact CD1-CB 4.18Å; Y547-H549 HydrophobicContact CE1-CB 4.3Å; Y547-H549 PolarHBondContact O-N 2.94Å; H549-T551 PolarHBondContact CD2-O 3.45Å
550	T	96.6	Very high	96.7	Very high	125 Å²	125	54.7 Å²	54.7	77%	0.767	29%	0.289	S	S	*	.	S	Bend	trans	-119.9	-7.7	174.9	51.1	0	0	0	0	112.6
551	T	97.4	Very high	96.5	Very high	67 Å²	67	54.8 Å²	54.8	41%	0.411	29%	0.289	S	S	.	.			trans	-144.3	157.8	178.5	55.4	0	0	0	0	110.7	D504 H549 D555	D504-T551 PolarHBondContact N-O 2.91Å; D504-T551 VanDerWaalsContact N-O 3.1Å; D504-T551 VanDerWaalsContact OD2-C 3.22Å; D504-T551 WeakPolarHBondContact OD2-CB 3.34Å; D504-T551 PolarHBondContact OD2-OG1 3.09Å; H549-T551 PolarHBondContact CD2-O 3.45Å; T551-D555 WeakPolarHBondContact CA-OD2 3.31Å
552	S	97.5	Very high	96.3	Very high	9 Å²	9	60.5 Å²	60.5	6%	0.063	31%	0.314	C	S	.	.			trans	-159	162.7	169.8	71.7	0	0	0	0	111.3	D504 F554 D555	D504-S552 PolarHBondContact OD2-N 2.9Å; S552-F554 PolarHBondContact O-N 2.6Å; S552-F554 WeakPolarHBondContact OG-CB 3.21Å; S552-F554 PolarHBondContact OG-N 3.42Å; S552-D555 PolarHBondContact N-OD2 2.81Å; S552-D555 WeakPolarHBondContact O-CB 3.37Å; S552-D555 PolarHBondContact O-N 2.86Å; S552-D555 PolarHBondContact OG-OD1 2.89Å
553	I	96.5	Very high	96	Very high	13 Å²	13	59.7 Å²	59.7	7%	0.067	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-10.9	170.8	-161.4	171.8	0	0	0	114.2	E420 I423 H424 I427 V502 D555 F557 Y560	E420-I553 WeakPolarHBondContact O-CD1 3.25Å; I423-I553 HydrophobicContact CB-CD1 3.84Å; I423-I553 HydrophobicContact CG2-CD1 3.74Å; H424-I553 HydrophobicContact CB-CD1 4Å; I427-I553 HydrophobicContact CD1-CG2 3.56Å; V502-I553 HydrophobicContact CG1-CG2 3.66Å; I553-D555 VanDerWaalsContact C-N 3.26Å; I553-F557 PolarHBondContact O-N 3.1Å; I553-Y560 HydrophobicContact CD1-CE2 4.25Å; I553-Y560 HydrophobicContact CG1-CD2 4.07Å; I553-Y560 HydrophobicContact CG1-CE2 3.76Å
554	F	96.6	Very high	95.6	Very high	15 Å²	15	58.3 Å²	58.3	7%	0.066	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-18.8	170.6	-65.4	-39.3	0	0	0	113.7	L389 Y398 I427 V502 S552 F557	L389-F554 HydrophobicContact CD1-CB 4.27Å; L389-F554 HydrophobicContact CD1-CD1 3.24Å; L389-F554 HydrophobicContact CD1-CE1 3.5Å; L389-F554 VanDerWaalsContact CD1-CE1 3.5Å; L389-F554 HydrophobicContact CD1-CG 3.81Å; L389-F554 HydrophobicContact CD1-CZ 4.26Å; L389-F554 HydrophobicContact CD2-CB 4.22Å; Y398-F554 AromaticContact CD2-CE2 3.97Å; Y398-F554 HydrophobicContact CD2-CE2 3.97Å; Y398-F554 AromaticContact CD2-CZ 3.56Å; Y398-F554 HydrophobicContact CD2-CZ 3.56Å; Y398-F554 HydrophobicContact CE2-CE1 4.32Å; Y398-F554 HydrophobicContact CE2-CE2 4.42Å; Y398-F554 AromaticContact CE2-CZ 3.58Å; Y398-F554 HydrophobicContact CE2-CZ 3.58Å; Y398-F554 HydrophobicContact CG-CE2 4.29Å; Y398-F554 HydrophobicContact CG-CZ 4.04Å; I427-F554 HydrophobicContact CG2-CE1 3.97Å; V502-F554 HydrophobicContact CB-CD2 4.23Å; V502-F554 HydrophobicContact CB-CE1 4.44Å; V502-F554 HydrophobicContact CB-CE2 3.56Å; V502-F554 HydrophobicContact CB-CZ 3.69Å; V502-F554 HydrophobicContact CG1-CD1 4.13Å; V502-F554 HydrophobicContact CG1-CD2 3.85Å; V502-F554 HydrophobicContact CG1-CE1 3.9Å; V502-F554 HydrophobicContact CG1-CE2 3.59Å; V502-F554 HydrophobicContact CG1-CG 4.12Å; V502-F554 HydrophobicContact CG1-CZ 3.62Å; V502-F554 HydrophobicContact CG2-CE2 4.19Å; V502-F554 HydrophobicContact CG2-CZ 3.83Å; S552-F554 PolarHBondContact O-N 2.6Å; S552-F554 WeakPolarHBondContact OG-CB 3.21Å; S552-F554 PolarHBondContact OG-N 3.42Å; F554-F557 HydrophobicContact CD1-CD2 4.05Å; F554-F557 WeakPolarHBondContact O-CB 3.37Å
555	D	95.4	Very high	95.3	Very high	92 Å²	92	63.7 Å²	63.7	49%	0.492	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-34.4	-177.2	-48.7	-18.5	0	0	0	110.1	T551 S552 I553	T551-D555 WeakPolarHBondContact CA-OD2 3.31Å; S552-D555 PolarHBondContact N-OD2 2.81Å; S552-D555 WeakPolarHBondContact O-CB 3.37Å; S552-D555 PolarHBondContact O-N 2.86Å; S552-D555 PolarHBondContact OG-OD1 2.89Å; I553-D555 VanDerWaalsContact C-N 3.26Å
556	D	93.7	Very high	95	Very high	94 Å²	94	67.5 Å²	67.5	50%	0.503	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	11.5	176.2	-64.6	-56	0	0	0	113.3	S558 H559 Y560	D556-S558 PolarHBondContact O-N 2.81Å; D556-H559 WeakPolarHBondContact O-CB 3.35Å; D556-H559 PolarHBondContact O-N 3.14Å; D556-Y560 HydrophobicContact CB-CD2 4.02Å; D556-Y560 HydrophobicContact CB-CE2 3.67Å; D556-Y560 WeakPolarHBondContact O-CD2 3.46Å; D556-Y560 PolarHBondContact O-N 3.05Å
557	F	93.3	Very high	94.5	Very high	2 Å²	2	66.9 Å²	66.9	1%	0.009	33%	0.327	C	S	.	.	H	α-helix	trans	-56.5	-45.7	-168.2	-165.2	-85.1	0	0	0	113.3	H386 V388 L389 L392 H424 I553 F554 H559 Y560 E561	H386-F557 HydrophobicContact CB-CD1 3.84Å; H386-F557 HydrophobicContact CB-CE1 4.28Å; V388-F557 HydrophobicContact CB-CE1 4.15Å; V388-F557 HydrophobicContact CG1-CE1 4.16Å; V388-F557 HydrophobicContact CG1-CZ 4.15Å; L389-F557 HydrophobicContact CB-CD1 3.75Å; L389-F557 HydrophobicContact CB-CD2 4.44Å; L389-F557 HydrophobicContact CB-CE1 3.89Å; L389-F557 HydrophobicContact CB-CG 4.04Å; L389-F557 HydrophobicContact CB-CZ 4.32Å; L389-F557 HydrophobicContact CD1-CD2 4.06Å; L389-F557 HydrophobicContact CD1-CE2 4.27Å; L389-F557 HydrophobicContact CD1-CG 4.35Å; L389-F557 HydrophobicContact CD2-CB 3.95Å; L389-F557 HydrophobicContact CD2-CG 4.11Å; L389-F557 HydrophobicContact CG-CG 4.4Å; L392-F557 HydrophobicContact CD1-CE2 3.9Å; L392-F557 HydrophobicContact CD1-CZ 3.55Å; H424-F557 AromaticContact CD2-CD2 3.71Å; H424-F557 AromaticContact CD2-CE2 3.5Å; H424-F557 AromaticContact CD2-CZ 3.91Å; H424-F557 AromaticContact NE2-CD2 3.96Å; H424-F557 AromaticContact NE2-CE1 3.77Å; H424-F557 AromaticContact NE2-CE2 3.56Å; H424-F557 AromaticContact NE2-CZ 3.45Å; H424-F557 WeakPolarHBondContact NE2-CZ 3.38Å; I553-F557 PolarHBondContact O-N 3.1Å; F554-F557 HydrophobicContact CD1-CD2 4.05Å; F554-F557 WeakPolarHBondContact O-CB 3.37Å; F557-H559 PolarHBondContact O-N 2.86Å; F557-Y560 PolarHBondContact O-N 2.91Å; F557-Y560 VanDerWaalsContact O-N 3.16Å; F557-E561 HydrophobicContact CD1-CG 3.56Å; F557-E561 HydrophobicContact CE1-CG 3.39Å; F557-E561 WeakPolarHBondContact CE1-OE2 3.4Å; F557-E561 HydrophobicContact CZ-CG 4.33Å; F557-E561 WeakPolarHBondContact O-CG 3.46Å; F557-E561 PolarHBondContact O-N 3.34Å
558	S	93.7	Very high	94	Very high	51 Å²	51	67.6 Å²	67.6	36%	0.357	33%	0.332	S	S	.	.	H	α-helix	trans	-63.1	-25.2	179.3	-50.9	0	0	0	0	113.3	D556 K562	D556-S558 PolarHBondContact O-N 2.81Å; S558-K562 WeakPolarHBondContact O-CB 3.35Å; S558-K562 PolarHBondContact O-N 2.97Å
559	H	94.3	Very high	93.6	Very high	95 Å²	95	61.8 Å²	61.8	44%	0.44	32%	0.316	S	S	.	.	H	α-helix	trans	-76	-41.5	174.9	161.5	86.9	0	0	0	111.4	D556 F557 R563	D556-H559 WeakPolarHBondContact O-CB 3.35Å; D556-H559 PolarHBondContact O-N 3.14Å; F557-H559 PolarHBondContact O-N 2.86Å; H559-R563 PolarHBondContact NE2-NH2 2.87Å; H559-R563 VanDerWaalsContact NE2-NH2 3.17Å; H559-R563 WeakPolarHBondContact O-CB 3.38Å; H559-R563 PolarHBondContact O-N 3.49Å
560	Y	94.7	Very high	93.2	Very high	14 Å²	14	62 Å²	62	6%	0.055	32%	0.322	C	S	.	.	H	α-helix	trans	-67.8	-35.7	174.3	-70.8	-68.9	0	0	0	113.3	E420 D421 H424 I553 D556 F557 Q564	E420-Y560 HydrophobicContact CB-CE1 4Å; E420-Y560 VanDerWaalsContact CB-OH 3.26Å; E420-Y560 WeakPolarHBondContact CB-OH 3.39Å; E420-Y560 PolarHBondContact OE2-OH 3.46Å; D421-Y560 VanDerWaalsContact OD1-CD1 3.3Å; D421-Y560 WeakPolarHBondContact OD1-CD1 3.18Å; D421-Y560 WeakPolarHBondContact OD1-CE1 3.37Å; H424-Y560 HydrophobicContact CB-CD1 4.35Å; H424-Y560 HydrophobicContact CB-CD2 4.43Å; H424-Y560 HydrophobicContact CB-CG 3.98Å; I553-Y560 HydrophobicContact CD1-CE2 4.25Å; I553-Y560 HydrophobicContact CG1-CD2 4.07Å; I553-Y560 HydrophobicContact CG1-CE2 3.76Å; D556-Y560 HydrophobicContact CB-CD2 4.02Å; D556-Y560 HydrophobicContact CB-CE2 3.67Å; D556-Y560 WeakPolarHBondContact O-CD2 3.46Å; D556-Y560 PolarHBondContact O-N 3.05Å; F557-Y560 PolarHBondContact O-N 2.91Å; F557-Y560 VanDerWaalsContact O-N 3.16Å; Y560-Q564 PolarHBondContact O-N 3.27Å
561	E	94.3	Very high	92.6	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.009	30%	0.302	C	S	.	.	H	α-helix	trans	-61	-54.1	172.9	-70.8	-80.4	67.1	0	0	111.3	H386 V388 H424 K428 F557 R563 Q564 E565	H386-E561 IonicContact CE1-OE2 3.83Å; H386-E561 PolarHBondContact CE1-OE2 2.9Å; H386-E561 VanDerWaalsContact CE1-OE2 3.27Å; H386-E561 WeakPolarHBondContact ND1-CG 3.48Å; H386-E561 IonicContact ND1-OE2 2.72Å; H386-E561 PolarHBondContact ND1-OE2 3.41Å; V388-E561 WeakPolarHBondContact CB-OE2 3.45Å; V388-E561 WeakPolarHBondContact CG1-OE2 3.33Å; V388-E561 VanDerWaalsContact CG2-OE2 3.25Å; V388-E561 WeakPolarHBondContact CG2-OE2 3.25Å; H424-E561 IonicContact CE1-OE1 2.74Å; H424-E561 PolarHBondContact CE1-OE1 3.01Å; H424-E561 IonicContact NE2-OE1 2.98Å; H424-E561 PolarHBondContact NE2-OE1 3.49Å; K428-E561 WeakPolarHBondContact CD-OE1 3.39Å; K428-E561 WeakPolarHBondContact CE-OE1 3.29Å; K428-E561 IonicContact NZ-OE1 3.98Å; K428-E561 PolarHBondContact NZ-OE1 3.21Å; K428-E561 IonicContact NZ-OE2 2.6Å; F557-E561 HydrophobicContact CD1-CG 3.56Å; F557-E561 HydrophobicContact CE1-CG 3.39Å; F557-E561 WeakPolarHBondContact CE1-OE2 3.4Å; F557-E561 HydrophobicContact CZ-CG 4.33Å; F557-E561 WeakPolarHBondContact O-CG 3.46Å; F557-E561 PolarHBondContact O-N 3.34Å; E561-R563 VanDerWaalsContact C-N 3.33Å; E561-R563 PolarHBondContact O-N 3.4Å; E561-Q564 WeakPolarHBondContact O-CB 3.2Å; E561-Q564 PolarHBondContact O-N 2.98Å; E561-Q564 VanDerWaalsContact O-N 3.1Å; E561-E565 PolarHBondContact O-N 3.44Å
562	K	93.8	Very high	92	Very high	121 Å²	121	62.3 Å²	62.3	53%	0.526	31%	0.307	S	S	.	.	H	α-helix	trans	-56.2	-45.7	177	177.3	178.7	168	-180	0	111.9	S558 Q564 E565 E566	S558-K562 WeakPolarHBondContact O-CB 3.35Å; S558-K562 PolarHBondContact O-N 2.97Å; K562-Q564 VanDerWaalsContact C-N 3.32Å; K562-Q564 PolarHBondContact O-N 3.42Å; K562-E565 PolarHBondContact O-N 2.9Å; K562-E566 WeakPolarHBondContact CE-OE1 3.44Å; K562-E566 IonicContact NZ-OE1 3.28Å; K562-E566 WeakPolarHBondContact O-CG 3.12Å; K562-E566 PolarHBondContact O-N 3.44Å
563	R	92.7	Very high	91.4	Very high	86 Å²	86	67 Å²	67	33%	0.325	33%	0.328	S	S	.	.	H	α-helix	trans	-60.1	-41.1	177.1	-179.1	-173.9	-73.6	170.6	-6.5	111.8	D421 H559 E561 E566 E567	D421-R563 WeakPolarHBondContact OD1-CD 3.4Å; D421-R563 IonicContact OD1-CZ 2.68Å; D421-R563 IonicContact OD1-NE 3.78Å; D421-R563 IonicContact OD1-NH1 2.75Å; D421-R563 PolarHBondContact OD1-NH1 2.68Å; D421-R563 IonicContact OD2-NH1 3.82Å; H559-R563 PolarHBondContact NE2-NH2 2.87Å; H559-R563 VanDerWaalsContact NE2-NH2 3.17Å; H559-R563 WeakPolarHBondContact O-CB 3.38Å; H559-R563 PolarHBondContact O-N 3.49Å; E561-R563 VanDerWaalsContact C-N 3.33Å; E561-R563 PolarHBondContact O-N 3.4Å; R563-E566 PolarHBondContact O-N 2.88Å; R563-E567 WeakPolarHBondContact O-CB 3.22Å; R563-E567 WeakPolarHBondContact O-CG 3.41Å; R563-E567 PolarHBondContact O-N 2.92Å
564	Q	90.7	Very high	90.7	Very high	5 Å²	5	75.6 Å²	75.6	2%	0.023	36%	0.36	C	S	.	.	H	α-helix	trans	-63.6	-42.4	175.9	-170.9	-169.8	-31.9	0	0	111.3	Y429 Y560 E561 K562 E566 E567 E568	Y429-Q564 PolarHBondContact OH-NE2 2.74Å; Y560-Q564 PolarHBondContact O-N 3.27Å; E561-Q564 WeakPolarHBondContact O-CB 3.2Å; E561-Q564 PolarHBondContact O-N 2.98Å; E561-Q564 VanDerWaalsContact O-N 3.1Å; K562-Q564 VanDerWaalsContact C-N 3.32Å; K562-Q564 PolarHBondContact O-N 3.42Å; Q564-E566 VanDerWaalsContact C-N 3.34Å; Q564-E566 PolarHBondContact O-N 3.05Å; Q564-E567 PolarHBondContact O-N 3.31Å; Q564-E568 HydrophobicContact CG-CG 4.49Å; Q564-E568 PolarHBondContact NE2-OE1 2.71Å; Q564-E568 WeakPolarHBondContact O-CB 3.32Å; Q564-E568 WeakPolarHBondContact O-CG 3.46Å; Q564-E568 PolarHBondContact O-N 3.42Å
565	E	91.2	Very high	89.7	Confident	113 Å²	113	81 Å²	81	53%	0.528	39%	0.385	S	S	.	.	H	α-helix	trans	-64	-38.5	177.9	-68.9	179.5	172.1	0	0	112.2	E561 K562 S569	E561-E565 PolarHBondContact O-N 3.44Å; K562-E565 PolarHBondContact O-N 2.9Å; E565-S569 VanDerWaalsContact O-CB 3.29Å; E565-S569 WeakPolarHBondContact O-CB 3.45Å; E565-S569 PolarHBondContact O-N 3.01Å; E565-S569 PolarHBondContact O-OG 2.77Å
566	E	91.2	Very high	88.7	Confident	104 Å²	104	78.8 Å²	78.8	49%	0.486	38%	0.384	S	S	.	.	H	α-helix	trans	-66.1	-49.1	173.4	-71.3	174.1	164.1	0	0	111.8	K562 R563 Q564 E568 S569 V570	K562-E566 WeakPolarHBondContact CE-OE1 3.44Å; K562-E566 IonicContact NZ-OE1 3.28Å; K562-E566 WeakPolarHBondContact O-CG 3.12Å; K562-E566 PolarHBondContact O-N 3.44Å; R563-E566 PolarHBondContact O-N 2.88Å; Q564-E566 VanDerWaalsContact C-N 3.34Å; Q564-E566 PolarHBondContact O-N 3.05Å; E566-E568 PolarHBondContact O-N 3.31Å; E566-S569 PolarHBondContact O-N 3.27Å; E566-V570 WeakPolarHBondContact O-CG2 3.31Å; E566-V570 PolarHBondContact O-N 3.25Å
567	E	88.4	Confident	87.6	Confident	77 Å²	77	83.9 Å²	83.9	36%	0.36	40%	0.396	S	S	.	.	H	α-helix	trans	-56.7	-47.2	174.9	-81	178.1	-143.9	0	0	112	R425 R563 Q564 S569 V570 K571	R425-E567 IonicContact CZ-OE2 3.44Å; R425-E567 IonicContact NH1-OE2 2.81Å; R425-E567 PolarHBondContact NH1-OE2 3.15Å; R425-E567 IonicContact NH2-OE1 3.27Å; R425-E567 PolarHBondContact NH2-OE1 3.1Å; R425-E567 IonicContact NH2-OE2 3.14Å; R425-E567 PolarHBondContact NH2-OE2 2.92Å; R563-E567 WeakPolarHBondContact O-CB 3.22Å; R563-E567 WeakPolarHBondContact O-CG 3.41Å; R563-E567 PolarHBondContact O-N 2.92Å; Q564-E567 PolarHBondContact O-N 3.31Å; E567-S569 VanDerWaalsContact C-N 3.34Å; E567-S569 PolarHBondContact O-N 3.22Å; E567-V570 PolarHBondContact O-N 3.3Å; E567-K571 WeakPolarHBondContact O-CB 3.42Å; E567-K571 PolarHBondContact O-N 3.49Å
568	E	87.3	Confident	86	Confident	70 Å²	70	87 Å²	87	33%	0.327	43%	0.43	S	S	.	.	H	α-helix	trans	-64.2	-38.3	177.9	-83.4	-168.2	-143.7	0	0	112.3	Q564 E566 K571 K572	Q564-E568 HydrophobicContact CG-CG 4.49Å; Q564-E568 PolarHBondContact NE2-OE1 2.71Å; Q564-E568 WeakPolarHBondContact O-CB 3.32Å; Q564-E568 WeakPolarHBondContact O-CG 3.46Å; Q564-E568 PolarHBondContact O-N 3.42Å; E566-E568 PolarHBondContact O-N 3.31Å; E568-K571 PolarHBondContact O-N 3.03Å; E568-K572 WeakPolarHBondContact O-CB 3.15Å; E568-K572 VanDerWaalsContact O-CD 3.27Å; E568-K572 WeakPolarHBondContact O-CD 3.28Å; E568-K572 WeakPolarHBondContact O-CG 3.27Å; E568-K572 PolarHBondContact O-N 3.44Å; E568-K572 IonicContact OE2-NZ 3.02Å; E568-K572 PolarHBondContact OE2-NZ 3.28Å
569	S	89.5	Confident	83.8	Confident	70 Å²	70	96.1 Å²	96.1	49%	0.49	46%	0.463	S	S	.	.	H	α-helix	trans	-65.6	-43.6	178.5	-62.5	0	0	0	0	111.2	E565 E566 E567 K572 E573	E565-S569 VanDerWaalsContact O-CB 3.29Å; E565-S569 WeakPolarHBondContact O-CB 3.45Å; E565-S569 PolarHBondContact O-N 3.01Å; E565-S569 PolarHBondContact O-OG 2.77Å; E566-S569 PolarHBondContact O-N 3.27Å; E567-S569 VanDerWaalsContact C-N 3.34Å; E567-S569 PolarHBondContact O-N 3.22Å; S569-K572 PolarHBondContact O-N 2.89Å; S569-E573 PolarHBondContact O-N 2.88Å
570	V	88.3	Confident	83.2	Confident	76 Å²	76	96.2 Å²	96.2	46%	0.461	46%	0.464	S	S	.	.	H	α-helix	trans	-64.9	-39.4	173.3	174.5	0	0	0	0	111.5	E566 E567 K572 E573 R574	E566-V570 WeakPolarHBondContact O-CG2 3.31Å; E566-V570 PolarHBondContact O-N 3.25Å; E567-V570 PolarHBondContact O-N 3.3Å; V570-K572 VanDerWaalsContact C-N 3.32Å; V570-K572 PolarHBondContact O-N 3.46Å; V570-E573 PolarHBondContact O-N 2.71Å; V570-R574 HydrophobicContact CG1-CG 4.38Å; V570-R574 WeakPolarHBondContact O-CB 3.39Å; V570-R574 VanDerWaalsContact O-CG 3.28Å; V570-R574 WeakPolarHBondContact O-CG 3.3Å; V570-R574 PolarHBondContact O-N 3.31Å
571	K	84.2	Confident	82.6	Confident	81 Å²	81	100.5 Å²	100.5	35%	0.352	49%	0.486	S	S	.	.	H	α-helix	trans	-64.3	-36.6	175.8	-161.5	163	-174.7	166.1	0	111.3	D489 E567 E568 Q575	D489-K571 VanDerWaalsContact CG-NZ 3.27Å; D489-K571 IonicContact OD1-NZ 2.72Å; D489-K571 PolarHBondContact OD1-NZ 2.89Å; D489-K571 IonicContact OD2-NZ 3.69Å; D489-K571 PolarHBondContact OD2-NZ 3.05Å; E567-K571 WeakPolarHBondContact O-CB 3.42Å; E567-K571 PolarHBondContact O-N 3.49Å; E568-K571 PolarHBondContact O-N 3.03Å; K571-Q575 VanDerWaalsContact O-CG 3.31Å; K571-Q575 WeakPolarHBondContact O-CG 3.4Å; K571-Q575 PolarHBondContact O-N 3.15Å
572	K	84.5	Confident	82	Confident	118 Å²	118	106 Å²	106	51%	0.513	51%	0.512	S	S	.	.	H	α-helix	trans	-69.9	-45.4	174.6	-70.1	157.7	-164.6	165	0	112.2	E568 S569 V570 R574 Q575 G576	E568-K572 WeakPolarHBondContact O-CB 3.15Å; E568-K572 VanDerWaalsContact O-CD 3.27Å; E568-K572 WeakPolarHBondContact O-CD 3.28Å; E568-K572 WeakPolarHBondContact O-CG 3.27Å; E568-K572 PolarHBondContact O-N 3.44Å; E568-K572 IonicContact OE2-NZ 3.02Å; E568-K572 PolarHBondContact OE2-NZ 3.28Å; S569-K572 PolarHBondContact O-N 2.89Å; V570-K572 VanDerWaalsContact C-N 3.32Å; V570-K572 PolarHBondContact O-N 3.46Å; K572-R574 PolarHBondContact O-N 2.91Å; K572-Q575 PolarHBondContact O-N 3.15Å; K572-G576 PolarHBondContact O-N 3.36Å
573	E	85.3	Confident	81.3	Confident	109 Å²	109	105.1 Å²	105.1	51%	0.509	51%	0.511	S	S	.	.	H	α-helix	trans	-60.3	-47.8	176.7	-166.4	-156.3	141	0	0	111.1	S569 V570 Q575 G576 R577	S569-E573 PolarHBondContact O-N 2.88Å; V570-E573 PolarHBondContact O-N 2.71Å; E573-Q575 VanDerWaalsContact C-N 3.25Å; E573-Q575 PolarHBondContact O-N 3.18Å; E573-G576 PolarHBondContact O-N 2.56Å; E573-R577 WeakPolarHBondContact O-CB 3.47Å; E573-R577 PolarHBondContact O-N 3.48Å; E573-R577 IonicContact OE1-NH1 3.58Å; E573-R577 PolarHBondContact OE1-NH1 3.2Å
574	R	81.4	Confident	80.6	Confident	193 Å²	193	106.3 Å²	106.3	73%	0.728	52%	0.523	S	S	*	.	H	α-helix	trans	-64.9	-27.3	-179.2	-66.7	177.1	80.4	170.5	7.4	113.1	V570 K572	V570-R574 HydrophobicContact CG1-CG 4.38Å; V570-R574 WeakPolarHBondContact O-CB 3.39Å; V570-R574 VanDerWaalsContact O-CG 3.28Å; V570-R574 WeakPolarHBondContact O-CG 3.3Å; V570-R574 PolarHBondContact O-N 3.31Å; K572-R574 PolarHBondContact O-N 2.91Å
575	Q	75.9	Confident	79.9	Confident	128 Å²	128	113.1 Å²	113.1	60%	0.598	56%	0.556	S	S	*	*	H	α-helix	trans	-80.7	-31	171.1	-73.1	179.1	10.4	0	0	113.3	K571 K572 E573	K571-Q575 VanDerWaalsContact O-CG 3.31Å; K571-Q575 WeakPolarHBondContact O-CG 3.4Å; K571-Q575 PolarHBondContact O-N 3.15Å; K572-Q575 PolarHBondContact O-N 3.15Å; E573-Q575 VanDerWaalsContact C-N 3.25Å; E573-Q575 PolarHBondContact O-N 3.18Å
576	G	73.7	Confident	79.1	Confident	46 Å²	46	113.1 Å²	113.1	47%	0.474	56%	0.558	S	S	.	*	H	α-helix	trans	-70.3	-36.5	174.1	0	0	0	0	0	112.8	K572 E573 G578 K579	K572-G576 PolarHBondContact O-N 3.36Å; E573-G576 PolarHBondContact O-N 2.56Å; G576-G578 PolarHBondContact O-N 3.47Å; G576-K579 PolarHBondContact O-N 3.45Å
577	R	70.9	Confident	78.2	Confident	200 Å²	200	113.8 Å²	113.8	76%	0.755	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	4.1	-178.8	-156.4	168.8	-177.3	163.3	-2.3	114.4	E573	E573-R577 WeakPolarHBondContact O-CB 3.47Å; E573-R577 PolarHBondContact O-N 3.48Å; E573-R577 IonicContact OE1-NH1 3.58Å; E573-R577 PolarHBondContact OE1-NH1 3.2Å
578	G	59.4	Low	77.3	Confident	69 Å²	69	116.8 Å²	116.8	71%	0.711	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	24.4	173.5	0	0	0	0	0	113	G576	G576-G578 PolarHBondContact O-N 3.47Å
579	K	47.5	Very low	76.4	Confident	242 Å²	242	121.1 Å²	121.1	100%	1.052	60%	0.604	S	S	*	*			trans	-131.7	0	174.9	-69.9	-176.5	177.6	-179	0	109.6	G576	G576-K579 PolarHBondContact O-N 3.45Å

Retrieved 579 of 579 residues in 107.9 ms (Link to these results)

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