A0A096NMA1_PAPAN Loading...

Serine beta-lactamase-like protein LACTB, mitochondrial

AlphaFold DB , UniProt , Accession A0A096NMA1, Species PAPAN (Papio anubis, Olive baboon), Gene LACTB, Length 547 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.4	Very low	30.1	Very low	236 Å²	236	165.5 Å²	165.5	100%	1.163	84%	0.843	S	S	*	*				0	92.1	0	-175.8	-175.4	-146.6	0	0	108
2	Y	29.7	Very low	29.8	Very low	243 Å²	243	159.8 Å²	159.8	95%	0.953	84%	0.84	S	S	*	*			trans	-153.5	146.3	161.4	-105.7	-78.7	0	0	0	106.8
3	R	35.1	Very low	29.6	Very low	223 Å²	223	155.5 Å²	155.5	84%	0.842	84%	0.841	S	S	*	*			trans	-143	157.9	-166.5	-154.9	-173.9	-174.7	-166.4	4.2	108.3
4	L	32.8	Very low	29.8	Very low	131 Å²	131	151.4 Å²	151.4	69%	0.686	84%	0.839	S	S	*	*			trans	85.9	143.4	147.4	-97.1	160.7	0	0	0	120.8
5	L	30.1	Very low	30.4	Very low	149 Å²	149	149.8 Å²	149.8	78%	0.78	84%	0.838	S	S	*	*			trans	81.2	136	160.7	-61	165.2	0	0	0	118.1
6	S	29.2	Very low	30.2	Very low	107 Å²	107	145.9 Å²	145.9	75%	0.748	84%	0.842	S	S	*	*			cis	-160.5	168.5	-20.3	-146.2	0	0	0	0	111.2
7	A	27.5	Very low	29.9	Very low	88 Å²	88	141.9 Å²	141.9	73%	0.727	84%	0.84	S	S	*	*			trans	-79.1	152.4	178.3	0	0	0	0	0	113.4
8	V	27.1	Very low	29.8	Very low	133 Å²	133	143.9 Å²	143.9	81%	0.806	85%	0.845	S	S	*	*			trans	-133.7	115.1	157.8	177.7	0	0	0	0	109.1	V10	V8-V10 HydrophobicContact CG1-CG2 4.2Å
9	T	27.6	Very low	29.7	Very low	138 Å²	138	141.2 Å²	141.2	85%	0.847	84%	0.841	S	S	*	*			trans	-97.9	132.4	164.7	25.9	0	0	0	0	109.5
10	V	27.2	Very low	29.6	Very low	139 Å²	139	139.8 Å²	139.8	84%	0.842	84%	0.839	S	S	*	*			trans	-130.3	142	160.6	179.7	0	0	0	0	108.5	V8	V8-V10 HydrophobicContact CG1-CG2 4.2Å
11	R	27.4	Very low	29.5	Very low	233 Å²	233	138.8 Å²	138.8	88%	0.879	84%	0.838	S	S	*	*			trans	-122.4	134.1	-166.4	-178.2	-176.5	-177	-175.9	1.8	110
12	A	27	Very low	28.9	Very low	97 Å²	97	133.9 Å²	133.9	80%	0.802	83%	0.825	S	S	*	*			trans	53.5	127.1	157.2	0	0	0	0	0	120.3
13	A	26.6	Very low	28.8	Very low	104 Å²	104	126 Å²	126	86%	0.86	82%	0.818	S	S	*	*				-157.7	130.2	128.1	0	0	0	0	0	110.7
14	A	31.9	Very low	28.5	Very low	98 Å²	98	125 Å²	125	81%	0.81	81%	0.814	S	S	*	*			trans	-130.9	143.5	156.7	0	0	0	0	0	106.8
15	P	39.6	Very low	28.3	Very low	128 Å²	128	129.2 Å²	129.2	83%	0.831	82%	0.821	S	S	*	*			trans	-144.8	140.7	139.4	34.4	-18.7	0	0	0	115.1
16	G	26.8	Very low	28.2	Very low	87 Å²	87	125.5 Å²	125.5	90%	0.897	82%	0.818	S	S	*	*				75.4	125	129.7	0	0	0	0	0	120.7
17	G	25.5	Very low	28.3	Very low	79 Å²	79	126.1 Å²	126.1	81%	0.814	82%	0.818	S	S	*	*			trans	172.6	100.2	161.7	0	0	0	0	0	113.5
18	L	28	Very low	28.3	Very low	177 Å²	177	129.6 Å²	129.6	93%	0.927	82%	0.818	S	S	*	*			trans	-94.2	142.2	175.3	-75.9	90.9	0	0	0	112.5
19	A	27.5	Very low	28.4	Very low	92 Å²	92	130.1 Å²	130.1	76%	0.76	81%	0.812	S	S	*	*			trans	-177.9	127.7	137.1	0	0	0	0	0	108
20	S	28.3	Very low	28.5	Very low	114 Å²	114	134.1 Å²	134.1	80%	0.797	81%	0.811	S	S	*	*			cis	93	80.6	30	82.2	0	0	0	0	116.6
21	S	26.8	Very low	28.7	Very low	118 Å²	118	132.5 Å²	132.5	83%	0.825	81%	0.813	S	S	*	*			trans	-170.7	130.6	145.2	50.8	0	0	0	0	107.4
22	C	25.3	Very low	28.6	Very low	133 Å²	133	125.2 Å²	125.2	90%	0.899	81%	0.811	S	S	*	*			cis	92.8	111.6	27.7	-157	0	0	0	0	114.1
23	G	27.1	Very low	28.7	Very low	77 Å²	77	128.6 Å²	128.6	79%	0.794	81%	0.814	S	S	*	*			trans	150.6	64	-175.6	0	0	0	0	0	113.8
24	R	28.6	Very low	30.2	Very low	203 Å²	203	128.9 Å²	128.9	77%	0.766	81%	0.807	S	S	*	*				75.4	117.9	79.3	-118.1	-168.1	-173	-171.4	5.2	117
25	R	29.8	Very low	31	Very low	220 Å²	220	129.3 Å²	129.3	83%	0.83	80%	0.802	S	S	*	*			trans	67.6	150.7	159.5	-54.6	172.8	178	-178.6	-4	115.7
26	G	27.4	Very low	30.6	Very low	70 Å²	70	131.6 Å²	131.6	72%	0.722	81%	0.806	S	S	*	*			cis	169.6	-179.1	-2.1	0	0	0	0	0	108.9
27	V	30.3	Very low	30.7	Very low	121 Å²	121	130.3 Å²	130.3	73%	0.733	79%	0.793	S	S	*	*			cis	-173.7	146.4	-13.5	131.9	0	0	0	0	108.2
28	H	29	Very low	31	Very low	161 Å²	161	136.6 Å²	136.6	75%	0.745	80%	0.801	S	S	*	*			trans	66.9	160	169.1	-68.2	-23.7	0	0	0	118.5
29	Q	29.6	Very low	30.9	Very low	144 Å²	144	131.4 Å²	131.4	67%	0.673	79%	0.79	S	S	*	*			cis	-160.9	154.8	-16.4	-115.5	175.4	13.6	0	0	112.6
30	R	28.4	Very low	30.8	Very low	221 Å²	221	139.2 Å²	139.2	83%	0.834	80%	0.8	S	S	*	*			trans	37.8	123.2	144.7	-79.2	-178.9	168.1	178.3	-4.1	124.3
31	A	32	Very low	30.9	Very low	105 Å²	105	140.2 Å²	140.2	87%	0.868	80%	0.801	S	S	*	*				56.6	133	117.3	0	0	0	0	0	123.4
32	G	26.1	Very low	30.9	Very low	81 Å²	81	138.6 Å²	138.6	84%	0.835	80%	0.803	S	S	*	*			trans	175.9	121.6	161.7	0	0	0	0	0	115.8
33	L	27.7	Very low	30.9	Very low	168 Å²	168	136.2 Å²	136.2	88%	0.88	80%	0.801	S	S	*	*			trans	-139.6	169.9	164.1	-88	171.1	0	0	0	106.1
34	P	59.1	Low	31.1	Very low	110 Å²	110	141.4 Å²	141.4	71%	0.714	81%	0.809	S	S	*	*			cis	-118.2	-151.8	-44.7	38.2	-19.4	0	0	0	108.7
35	P	47.2	Very low	31	Very low	107 Å²	107	135.4 Å²	135.4	70%	0.695	81%	0.811	S	S	*	*				-152.2	167.3	63.4	39	-16.1	0	0	0	118.9
36	L	32.3	Very low	31	Very low	175 Å²	175	133.3 Å²	133.3	92%	0.916	82%	0.815	S	S	*	*			trans	23.4	150.1	139.8	-54	167.1	0	0	0	122
37	G	28.7	Very low	31	Very low	61 Å²	61	133.5 Å²	133.5	63%	0.629	82%	0.818	S	S	*	*			cis	169.8	-163.5	4.1	0	0	0	0	0	114.5
38	H	31.8	Very low	31	Very low	211 Å²	211	135.6 Å²	135.6	98%	0.977	82%	0.824	S	S	*	*			trans	74.7	141.7	-177.4	-54.5	-46.1	0	0	0	117.7
39	G	26.1	Very low	30.9	Very low	68 Å²	68	131.9 Å²	131.9	70%	0.701	83%	0.829	S	S	*	*			cis	148.6	124.4	-12.2	0	0	0	0	0	114.3
40	W	25.6	Very low	30.9	Very low	255 Å²	255	132.7 Å²	132.7	97%	0.966	84%	0.837	S	S	*	*			trans	167.6	128.9	160.3	-99.7	34.6	0	0	0	106.4
41	V	29.4	Very low	30.9	Very low	136 Å²	136	125.7 Å²	125.7	82%	0.824	83%	0.826	S	S	*	*			cis	93.6	108.1	33.6	-179.7	0	0	0	0	114.7
42	G	26.9	Very low	30.8	Very low	84 Å²	84	128.5 Å²	128.5	87%	0.866	83%	0.826	S	S	*	*			trans	107	134	139	0	0	0	0	0	118.9
43	G	26.3	Very low	30.8	Very low	83 Å²	83	128 Å²	128	86%	0.856	82%	0.821	S	S	*	*			trans	146	78.4	158.9	0	0	0	0	0	117.6
44	L	30.1	Very low	30.9	Very low	185 Å²	185	126.3 Å²	126.3	97%	0.969	82%	0.817	S	S	*	*			trans	-79.6	145.7	161.1	-86.5	143.5	0	0	0	110.3
45	G	26.7	Very low	29.6	Very low	77 Å²	77	130.7 Å²	130.7	79%	0.794	83%	0.825	S	S	*	*			trans	-158.2	94	176	0	0	0	0	0	113.4
46	L	30.7	Very low	28.9	Very low	176 Å²	176	133.6 Å²	133.6	92%	0.921	83%	0.833	S	S	*	*			trans	-78.7	146.3	167.7	-81.8	154.3	0	0	0	110.4
47	G	27.1	Very low	28.9	Very low	75 Å²	75	129.9 Å²	129.9	77%	0.773	83%	0.828	S	S	*	*			trans	-163.9	94.7	173.7	0	0	0	0	0	113.1
48	L	30.7	Very low	28.8	Very low	165 Å²	165	131 Å²	131	86%	0.864	84%	0.839	S	S	*	*			trans	-72.4	142.9	163.4	-81.5	86.3	0	0	0	109.8
49	G	27.2	Very low	28.7	Very low	83 Å²	83	124.3 Å²	124.3	86%	0.856	83%	0.827	S	S	*	*			trans	-147.1	113.8	168.8	0	0	0	0	0	109.7
50	L	28.7	Very low	28.8	Very low	161 Å²	161	129.6 Å²	129.6	84%	0.843	84%	0.839	S	S	*	*			trans	-116.7	148.3	-168.1	-139.9	148.7	0	0	0	110.4
51	A	28.9	Very low	29	Very low	73 Å²	73	129 Å²	129	60%	0.603	84%	0.836	S	S	*	*			trans	96.8	145.3	144.1	0	0	0	0	0	121.9
52	L	28.7	Very low	29	Very low	165 Å²	165	126 Å²	126	86%	0.864	83%	0.833	S	S	*	*			trans	73.3	106.5	145.4	-73.6	152.8	0	0	0	119.7
53	G	26.9	Very low	29.1	Very low	70 Å²	70	127.1 Å²	127.1	72%	0.722	83%	0.834	S	S	*	*			trans	-99.1	167.7	152.8	0	0	0	0	0	111.6
54	V	30.5	Very low	29.4	Very low	132 Å²	132	127.6 Å²	127.6	80%	0.8	83%	0.83	S	S	*	*			trans	-136.5	130.3	170.8	171.8	0	0	0	0	109.3
55	K	31.4	Very low	29.9	Very low	203 Å²	203	124.9 Å²	124.9	88%	0.883	82%	0.824	S	S	*	*			trans	-78.9	141.3	161.9	-80.1	176.3	170.4	177.5	0	108.9
56	L	31.3	Very low	30.1	Very low	167 Å²	167	126.2 Å²	126.2	87%	0.874	83%	0.827	S	S	*	*			trans	-141.7	137.6	148.4	-106.1	164.4	0	0	0	109.8
57	A	32.7	Very low	30.1	Very low	98 Å²	98	126.8 Å²	126.8	81%	0.81	83%	0.825	S	S	*	*			trans	-118	150.8	176.3	0	0	0	0	0	108.6
58	G	27.1	Very low	30.2	Very low	83 Å²	83	128.8 Å²	128.8	86%	0.856	83%	0.827	S	S	*	*			trans	161	110.9	176.5	0	0	0	0	0	110.2
59	G	29	Very low	30.9	Very low	71 Å²	71	127.2 Å²	127.2	73%	0.732	83%	0.827	S	S	*	*			trans	-116.1	162.8	168.9	0	0	0	0	0	110.1
60	L	29.3	Very low	31.2	Very low	179 Å²	179	128.2 Å²	128.2	94%	0.937	83%	0.827	S	S	*	*			trans	-169.4	167.7	140.8	-104.6	163.7	0	0	0	110.8
61	R	30.5	Very low	31.4	Very low	242 Å²	242	125.1 Å²	125.1	91%	0.913	82%	0.824	S	S	*	*			trans	-82.4	159	-168.4	-60.9	167.8	165.6	-172.9	-6	113.1
62	G	28.5	Very low	31.9	Very low	74 Å²	74	127.7 Å²	127.7	76%	0.763	84%	0.835	S	S	*	*				143.7	143.5	128.8	0	0	0	0	0	118.5
63	A	29.2	Very low	32.2	Very low	108 Å²	108	127.3 Å²	127.3	89%	0.893	83%	0.834	S	S	*	*			trans	74.7	113.4	159.9	0	0	0	0	0	120.4
64	A	32.3	Very low	32.9	Very low	93 Å²	93	129.8 Å²	129.8	77%	0.769	84%	0.837	S	S	*	*			trans	-97.2	165.7	139.7	0	0	0	0	0	107.7
65	P	40.8	Very low	33	Very low	128 Å²	128	132.8 Å²	132.8	83%	0.831	84%	0.842	S	S	*	*				-154.1	169.9	76.6	40.5	-21.5	0	0	0	116.9
66	A	30.8	Very low	33.1	Very low	104 Å²	104	127 Å²	127	86%	0.86	83%	0.833	S	S	*	*			trans	-160.6	141.7	148.6	0	0	0	0	0	110.7
67	Q	30.3	Very low	33.1	Very low	189 Å²	189	124.5 Å²	124.5	88%	0.883	83%	0.829	S	S	*	*			trans	-131.9	154.1	177.7	-76.3	-177.5	-23.7	0	0	110.8
68	S	30.2	Very low	33.5	Very low	117 Å²	117	125.9 Å²	125.9	82%	0.818	83%	0.83	S	S	*	*			trans	-175.1	160.3	156.8	-84.5	0	0	0	0	109.1
69	P	43.8	Very low	33.8	Very low	132 Å²	132	130.5 Å²	130.5	86%	0.857	83%	0.834	S	S	*	*				-121.2	-179.8	-88.6	21.7	2	0	0	0	113.9
70	A	33.3	Very low	34.1	Very low	103 Å²	103	131.8 Å²	131.8	85%	0.851	84%	0.837	S	S	*	*			trans	-95.2	167.2	-170.8	0	0	0	0	0	115.6
71	A	32.8	Very low	34.5	Very low	96 Å²	96	132 Å²	132	79%	0.793	83%	0.834	S	S	*	*			trans	-137.1	158.8	164.9	0	0	0	0	0	109.1
72	P	40.3	Very low	34.8	Very low	127 Å²	127	126.3 Å²	126.3	83%	0.825	83%	0.828	S	S	*	*			trans	-98.9	160.5	-146.2	36.9	-37.4	0	0	0	117.5
73	D	36.2	Very low	35.1	Very low	158 Å²	158	128.8 Å²	128.8	85%	0.845	83%	0.831	S	S	*	*			trans	-76.4	165.8	171.1	-63.2	-54.2	0	0	0	114
74	P	40.3	Very low	35.3	Very low	122 Å²	122	132.5 Å²	132.5	79%	0.792	83%	0.829	S	S	*	*			trans	-111.6	143.1	146.9	34.6	-24.9	0	0	0	113.8
75	E	33.4	Very low	35.5	Very low	194 Å²	194	133.1 Å²	133.1	91%	0.907	84%	0.835	S	S	*	*			trans	-53.9	165.7	174	-67.1	174.6	133.4	0	0	116
76	A	32.8	Very low	35.2	Very low	82 Å²	82	135.6 Å²	135.6	68%	0.678	84%	0.835	S	S	*	*			cis	-176.4	175.5	-20.3	0	0	0	0	0	110.5
77	S	32.2	Very low	35.5	Very low	115 Å²	115	136.1 Å²	136.1	80%	0.804	83%	0.833	S	S	*	*			trans	94.1	145.4	157.3	-48.8	0	0	0	0	119.5
78	P	40.3	Very low	35.5	Very low	126 Å²	126	135.3 Å²	135.3	82%	0.818	83%	0.834	S	S	*	*			cis	-127.6	169.6	-35.8	37	-22.1	0	0	0	113.4
79	L	34	Very low	36	Very low	181 Å²	181	134.8 Å²	134.8	95%	0.948	83%	0.83	S	S	*	*			trans	-70.1	145.1	-176.7	-73.5	147.2	0	0	0	113.7
80	A	34.6	Very low	35.6	Very low	97 Å²	97	134.4 Å²	134.4	80%	0.802	83%	0.827	S	S	*	*			trans	-126.1	147.5	162.8	0	0	0	0	0	109.8
81	E	38.5	Very low	35.3	Very low	185 Å²	185	140.8 Å²	140.8	86%	0.864	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-67.2	149.5	-174.2	-63.1	-178.9	133.1	0	0	113.4
82	P	36	Very low	35.4	Very low	121 Å²	121	140.4 Å²	140.4	79%	0.786	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-74.6	129.8	173.4	30.7	-33	0	0	0	110.8
83	P	34.4	Very low	35.2	Very low	127 Å²	127	139.6 Å²	139.6	83%	0.825	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-69.6	147.7	178.4	28	-33.8	0	0	0	112.1
84	Q	34.3	Very low	35.1	Very low	185 Å²	185	140.4 Å²	140.4	86%	0.864	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-60.8	139.8	-176.6	-65.6	174.8	-16.5	0	0	112.8	Q86	Q84-Q86 PolarHBondContact O-N 2.97Å; Q84-Q86 VanDerWaalsContact O-N 3.12Å
85	A	36.3	Very low	35	Very low	106 Å²	106	140.9 Å²	140.9	88%	0.876	82%	0.815	S	S	*	*			trans	-68.7	106.9	178.9	0	0	0	0	0	111.8
86	Q	33.3	Very low	35.1	Very low	180 Å²	180	137.2 Å²	137.2	84%	0.841	81%	0.809	S	S	*	*			trans	-77.1	138.6	167.3	-67.4	-176.7	-6.6	0	0	110.1	Q84 L88	Q84-Q86 PolarHBondContact O-N 2.97Å; Q84-Q86 VanDerWaalsContact O-N 3.12Å; Q86-L88 PolarHBondContact O-N 3.32Å; Q86-L88 VanDerWaalsContact O-N 3.11Å
87	S	37.1	Very low	35.4	Very low	116 Å²	116	136.9 Å²	136.9	81%	0.811	81%	0.806	S	S	*	*			trans	-69.6	106.4	-178.9	56.9	0	0	0	0	111.3	S89	S87-S89 PolarHBondContact O-N 3.28Å
88	L	32.2	Very low	35.9	Very low	172 Å²	172	136 Å²	136	90%	0.901	80%	0.797	S	S	*	*			trans	-71	113.2	173.8	-68.6	171.5	0	0	0	110.4	Q86	Q86-L88 PolarHBondContact O-N 3.32Å; Q86-L88 VanDerWaalsContact O-N 3.11Å
89	S	40.2	Very low	35.9	Very low	106 Å²	106	135.5 Å²	135.5	74%	0.741	79%	0.794	S	S	*	*			trans	-60.6	140.8	166.6	-49.3	0	0	0	0	110.1	S87 W91	S87-S89 PolarHBondContact O-N 3.28Å; S89-W91 PolarHBondContact O-N 3.25Å
90	P	35.9	Very low	36.5	Very low	123 Å²	123	133.5 Å²	133.5	80%	0.799	78%	0.78	S	S	*	*			trans	-66.1	112	-176.8	25.4	-33.3	0	0	0	111.2	S92	P90-S92 PolarHBondContact O-N 2.9Å
91	W	26.3	Very low	37.3	Very low	237 Å²	237	131.1 Å²	131.1	90%	0.898	76%	0.757	S	S	*	*			trans	-65.5	101.1	172.3	179.8	-79.3	0	0	0	109.8	S89	S89-W91 PolarHBondContact O-N 3.25Å
92	S	34	Very low	38.3	Very low	89 Å²	89	133.6 Å²	133.6	62%	0.622	76%	0.758	S	S	*	*			trans	-79.1	126.1	164.7	-66.6	0	0	0	0	108.8	P90 Q94	P90-S92 PolarHBondContact O-N 2.9Å; S92-Q94 VanDerWaalsContact C-N 3.28Å; S92-Q94 PolarHBondContact O-N 2.81Å
93	P	36.4	Very low	40.6	Very low	109 Å²	109	130.3 Å²	130.3	71%	0.708	75%	0.746	S	S	*	*			trans	-68.3	91.4	167.9	28.9	-32.4	0	0	0	108.6	T95	P93-T95 PolarHBondContact O-N 3.21Å; P93-T95 VanDerWaalsContact O-N 3.09Å
94	Q	35.2	Very low	43.5	Very low	175 Å²	175	125.7 Å²	125.7	82%	0.818	71%	0.713	S	S	*	*			trans	-67.1	105	165.5	-70.6	-172.5	-3.7	0	0	107.6	S92 P96	S92-Q94 VanDerWaalsContact C-N 3.28Å; S92-Q94 PolarHBondContact O-N 2.81Å; Q94-P96 WeakPolarHBondContact O-CD 3.3Å
95	T	38.2	Very low	46.3	Very low	132 Å²	132	119.7 Å²	119.7	81%	0.81	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-54.9	124.1	161.2	-20.2	0	0	0	0	107	P93 A97	P93-T95 PolarHBondContact O-N 3.21Å; P93-T95 VanDerWaalsContact O-N 3.09Å; T95-A97 PolarHBondContact O-N 2.98Å
96	P	34.3	Very low	49.1	Very low	118 Å²	118	121 Å²	121	77%	0.766	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-58	125.7	176.1	-23.4	33.6	0	0	0	109	Q94	Q94-P96 WeakPolarHBondContact O-CD 3.3Å
97	A	40.1	Very low	52.1	Low	75 Å²	75	112.5 Å²	112.5	62%	0.62	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-58.8	135.8	171.6	0	0	0	0	0	108.7	T95	T95-A97 PolarHBondContact O-N 2.98Å
98	P	43	Very low	55	Low	97 Å²	97	107.7 Å²	107.7	63%	0.63	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-57.3	137.3	-178.8	21.8	-32.2	0	0	0	110.2	H100	P98-H100 PolarHBondContact O-N 3.44Å
99	P	39.4	Very low	58.1	Low	115 Å²	115	106 Å²	106	75%	0.747	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	17.5	-159.7	27.3	-36.2	0	0	0	116.3
100	H	46.9	Very low	60.8	Low	139 Å²	139	103 Å²	103	64%	0.644	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.7	-1.7	-172.3	-60.5	-53.9	0	0	0	115.2	P98 R102	P98-H100 PolarHBondContact O-N 3.44Å; H100-R102 PolarHBondContact O-N 2.67Å; H100-R102 VanDerWaalsContact O-N 3.14Å
101	S	51.8	Low	63.8	Low	46 Å²	46	97.1 Å²	97.1	32%	0.322	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-66.9	-13.6	-177.7	59.6	0	0	0	0	115.4	G103 F104	S101-G103 PolarHBondContact O-N 3.07Å; S101-F104 PolarHBondContact O-N 2.86Å
102	R	59.3	Low	67.2	Low	238 Å²	238	89.6 Å²	89.6	90%	0.898	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-64.2	-23.4	-179.7	-71.8	-172.2	179.1	-176.5	0.5	114.2	H100	H100-R102 PolarHBondContact O-N 2.67Å; H100-R102 VanDerWaalsContact O-N 3.14Å
103	G	84.1	Confident	70.3	Confident	51 Å²	51	89.1 Å²	89.1	53%	0.526	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-78.1	-19.7	-177.3	0	0	0	0	0	115.3	S101	S101-G103 PolarHBondContact O-N 3.07Å
104	F	94.6	Very high	73.2	Confident	30 Å²	30	85.4 Å²	85.4	13%	0.132	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-126.9	25.3	-170.2	-65.1	-72.9	0	0	0	113.4	S101 R106 A107 I108 V133 V138 F541 D544 R545	S101-F104 PolarHBondContact O-N 2.86Å; F104-R106 VanDerWaalsContact C-N 3.3Å; F104-R106 PolarHBondContact O-N 2.87Å; F104-A107 PolarHBondContact O-N 3Å; F104-I108 HydrophobicContact CB-CD1 4.15Å; F104-I108 HydrophobicContact CB-CG1 4.36Å; F104-I108 WeakPolarHBondContact O-CB 3.41Å; F104-I108 WeakPolarHBondContact O-CD1 3.48Å; F104-I108 WeakPolarHBondContact O-CG1 3.45Å; F104-I108 PolarHBondContact O-N 2.65Å; F104-V133 HydrophobicContact CE1-CG1 4.34Å; F104-V133 HydrophobicContact CE1-CG2 4.31Å; F104-V133 HydrophobicContact CE2-CB 4.42Å; F104-V133 HydrophobicContact CE2-CG1 4.44Å; F104-V133 HydrophobicContact CE2-CG2 4.45Å; F104-V133 HydrophobicContact CZ-CB 4.15Å; F104-V133 HydrophobicContact CZ-CG1 3.76Å; F104-V133 HydrophobicContact CZ-CG2 4.14Å; F104-V138 HydrophobicContact CD2-CB 3.86Å; F104-V138 HydrophobicContact CD2-CG1 3.83Å; F104-V138 HydrophobicContact CD2-CG2 4.14Å; F104-V138 HydrophobicContact CE2-CB 4.26Å; F104-V138 HydrophobicContact CE2-CG1 3.72Å; F104-F541 HydrophobicContact CB-CD1 4.1Å; F104-F541 HydrophobicContact CB-CE1 3.75Å; F104-F541 AromaticContact CD1-CD1 3.9Å; F104-F541 HydrophobicContact CD1-CD1 3.9Å; F104-F541 HydrophobicContact CD1-CE1 4.41Å; F104-F541 HydrophobicContact CG-CD1 4.03Å; F104-F541 HydrophobicContact CG-CE1 4.1Å; F104-D544 VanDerWaalsContact C-OD2 3.29Å; F104-D544 VanDerWaalsContact CA-OD2 3.31Å; F104-D544 WeakPolarHBondContact CA-OD2 3.37Å; F104-D544 HydrophobicContact CD1-CB 4.15Å; F104-R545 HydrophobicContact CE1-CB 3.97Å; F104-R545 HydrophobicContact CZ-CB 4.49Å
105	A	93.9	Very high	76.2	Confident	59 Å²	59	77 Å²	77	49%	0.488	43%	0.428	S	S	.	.	H	α-helix	trans	-59.1	-38.4	-171.1	0	0	0	0	0	113.1	E109	A105-E109 WeakPolarHBondContact O-CB 3.32Å; A105-E109 PolarHBondContact O-N 2.92Å
106	R	94.4	Very high	79	Confident	133 Å²	133	74.2 Å²	74.2	50%	0.502	41%	0.406	S	S	.	.	H	α-helix	trans	-69	-47.7	178.4	-61.4	-176.3	-60.2	166.5	1	111.1	F104 I108 E109 S110 D544 D547	F104-R106 VanDerWaalsContact C-N 3.3Å; F104-R106 PolarHBondContact O-N 2.87Å; R106-I108 VanDerWaalsContact C-N 3.31Å; R106-I108 PolarHBondContact O-N 3.22Å; R106-E109 PolarHBondContact O-N 2.85Å; R106-S110 WeakPolarHBondContact O-CB 3.11Å; R106-S110 PolarHBondContact O-N 3.28Å; R106-D544 IonicContact CZ-OD1 2.7Å; R106-D544 IonicContact NE-OD1 3.31Å; R106-D544 PolarHBondContact NE-OD1 2.85Å; R106-D544 IonicContact NH2-OD1 3.09Å; R106-D544 PolarHBondContact NH2-OD1 2.73Å; R106-D547 IonicContact CZ-OD2 2.67Å; R106-D547 IonicContact NH1-OD2 3.4Å; R106-D547 PolarHBondContact NH1-OD2 2.7Å; R106-D547 IonicContact NH2-OD2 3.56Å; R106-D547 PolarHBondContact NH2-OD2 3.37Å
107	A	97.4	Very high	82.1	Confident	2 Å²	2	75.1 Å²	75.1	2%	0.017	39%	0.394	C	S	.	.	H	α-helix	trans	-61.6	-40	177.1	0	0	0	0	0	112	F104 S111 E540 F541 D544	F104-A107 PolarHBondContact O-N 3Å; A107-S111 WeakPolarHBondContact O-CB 3.43Å; A107-S111 PolarHBondContact O-N 3.36Å; A107-S111 PolarHBondContact O-OG 3.05Å; A107-E540 HydrophobicContact CB-CB 4.32Å; A107-F541 HydrophobicContact CB-CB 4.42Å; A107-F541 HydrophobicContact CB-CD1 3.97Å; A107-F541 HydrophobicContact CB-CD2 3.83Å; A107-F541 HydrophobicContact CB-CE1 4.17Å; A107-F541 HydrophobicContact CB-CE2 4.04Å; A107-F541 HydrophobicContact CB-CG 3.81Å; A107-F541 HydrophobicContact CB-CZ 4.22Å; A107-D544 HydrophobicContact CB-CB 3.72Å; A107-D544 VanDerWaalsContact CB-OD2 3.31Å; A107-D544 WeakPolarHBondContact CB-OD2 3.45Å; A107-D544 PolarHBondContact N-OD2 3.45Å
108	I	97.9	Very high	84.8	Confident	16 Å²	16	72.4 Å²	72.4	8%	0.082	37%	0.369	C	S	.	.	H	α-helix	trans	-62.5	-46.8	176.3	-71.6	166.6	0	0	0	111.2	F104 R106 S111 R112 W139 F541	F104-I108 HydrophobicContact CB-CD1 4.15Å; F104-I108 HydrophobicContact CB-CG1 4.36Å; F104-I108 WeakPolarHBondContact O-CB 3.41Å; F104-I108 WeakPolarHBondContact O-CD1 3.48Å; F104-I108 WeakPolarHBondContact O-CG1 3.45Å; F104-I108 PolarHBondContact O-N 2.65Å; R106-I108 VanDerWaalsContact C-N 3.31Å; R106-I108 PolarHBondContact O-N 3.22Å; I108-S111 PolarHBondContact O-N 3.21Å; I108-R112 VanDerWaalsContact CG2-NH2 3.31Å; I108-R112 VanDerWaalsContact O-CB 3.29Å; I108-R112 WeakPolarHBondContact O-CB 3.25Å; I108-R112 PolarHBondContact O-N 3.45Å; I108-W139 HydrophobicContact CD1-CB 4.15Å; I108-W139 HydrophobicContact CD1-CG 4.35Å; I108-W139 HydrophobicContact CG1-CB 3.92Å; I108-W139 HydrophobicContact CG1-CD2 4.26Å; I108-W139 HydrophobicContact CG1-CG 3.86Å; I108-W139 HydrophobicContact CG2-CD2 4.45Å; I108-W139 HydrophobicContact CG2-CG 4.35Å; I108-F541 HydrophobicContact CG1-CE1 4.02Å; I108-F541 HydrophobicContact CG1-CZ 3.6Å
109	E	96.9	Very high	87.4	Confident	136 Å²	136	69.3 Å²	69.3	64%	0.636	35%	0.345	S	S	*	.	H	α-helix	trans	-62.3	-53	178.9	-175.3	172.5	-149.8	0	0	111.6	A105 R106 S111 R112 D113	A105-E109 WeakPolarHBondContact O-CB 3.32Å; A105-E109 PolarHBondContact O-N 2.92Å; R106-E109 PolarHBondContact O-N 2.85Å; E109-S111 VanDerWaalsContact C-N 3.29Å; E109-S111 PolarHBondContact O-N 3.43Å; E109-R112 PolarHBondContact O-N 3.08Å; E109-D113 PolarHBondContact O-N 2.6Å; E109-D113 VanDerWaalsContact O-N 3.17Å
110	S	97.3	Very high	90.1	Very high	43 Å²	43	68.5 Å²	68.5	30%	0.301	34%	0.335	S	S	.	.	H	α-helix	trans	-56.3	-41.9	176.1	-174.9	0	0	0	0	112.3	R106 D113 L114 E540	R106-S110 WeakPolarHBondContact O-CB 3.11Å; R106-S110 PolarHBondContact O-N 3.28Å; S110-D113 WeakPolarHBondContact O-CB 3.48Å; S110-D113 PolarHBondContact O-N 2.78Å; S110-L114 WeakPolarHBondContact O-CG 3.37Å; S110-L114 PolarHBondContact O-N 3.2Å; S110-E540 VanDerWaalsContact CB-OE2 3.26Å; S110-E540 WeakPolarHBondContact CB-OE2 3.25Å; S110-E540 VanDerWaalsContact OG-CD 3.28Å; S110-E540 PolarHBondContact OG-OE2 3.27Å
111	S	98.4	Very high	92.4	Very high	0 Å²	0	69 Å²	69	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-74.4	-34	-179.3	-62.7	0	0	0	0	113.7	A107 I108 E109 D113 L114 L115	A107-S111 WeakPolarHBondContact O-CB 3.43Å; A107-S111 PolarHBondContact O-N 3.36Å; A107-S111 PolarHBondContact O-OG 3.05Å; I108-S111 PolarHBondContact O-N 3.21Å; E109-S111 VanDerWaalsContact C-N 3.29Å; E109-S111 PolarHBondContact O-N 3.43Å; S111-D113 VanDerWaalsContact C-N 3.3Å; S111-L114 PolarHBondContact O-N 3.25Å; S111-L115 PolarHBondContact O-N 2.9Å
112	R	98.1	Very high	94.5	Very high	79 Å²	79	69 Å²	69	30%	0.298	34%	0.335	S	S	.	.	H	α-helix	trans	-61.7	-42.3	172.8	-178.9	-179	-64.3	106.1	7.5	110.4	I108 E109 L114 L115 H116 W139 E141	I108-R112 VanDerWaalsContact CG2-NH2 3.31Å; I108-R112 VanDerWaalsContact O-CB 3.29Å; I108-R112 WeakPolarHBondContact O-CB 3.25Å; I108-R112 PolarHBondContact O-N 3.45Å; E109-R112 PolarHBondContact O-N 3.08Å; R112-L114 PolarHBondContact O-N 2.92Å; R112-L115 WeakPolarHBondContact O-CB 3.28Å; R112-L115 PolarHBondContact O-N 3.06Å; R112-L115 VanDerWaalsContact O-N 3.11Å; R112-H116 PolarHBondContact O-CD2 3.13Å; R112-H116 VanDerWaalsContact O-CD2 3.29Å; R112-H116 PolarHBondContact O-N 3.09Å; R112-W139 HydrophobicContact CB-CZ2 4.14Å; R112-E141 WeakPolarHBondContact CD-OE1 3.31Å; R112-E141 IonicContact CZ-OE1 3.17Å; R112-E141 IonicContact CZ-OE2 2.73Å; R112-E141 VanDerWaalsContact CZ-OE2 3.31Å; R112-E141 VanDerWaalsContact NE-CD 3.34Å; R112-E141 IonicContact NE-OE1 3.68Å; R112-E141 PolarHBondContact NE-OE1 3.27Å; R112-E141 IonicContact NE-OE2 2.79Å; R112-E141 PolarHBondContact NE-OE2 2.98Å; R112-E141 VanDerWaalsContact NE-OE2 3.09Å; R112-E141 IonicContact NH2-OE1 3.84Å; R112-E141 IonicContact NH2-OE2 3.74Å; R112-E141 PolarHBondContact NH2-OE2 3.44Å
113	D	97.9	Very high	96.2	Very high	78 Å²	78	58.8 Å²	58.8	42%	0.417	30%	0.304	S	S	.	.	H	α-helix	trans	-58.7	-45.5	174.6	-116.9	40.7	0	0	0	112.4	E109 S110 S111 L115 H116 R117	E109-D113 PolarHBondContact O-N 2.6Å; E109-D113 VanDerWaalsContact O-N 3.17Å; S110-D113 WeakPolarHBondContact O-CB 3.48Å; S110-D113 PolarHBondContact O-N 2.78Å; S111-D113 VanDerWaalsContact C-N 3.3Å; D113-L115 VanDerWaalsContact C-N 3.29Å; D113-L115 PolarHBondContact O-N 2.96Å; D113-H116 PolarHBondContact O-N 3.41Å; D113-R117 VanDerWaalsContact O-CG 3.25Å; D113-R117 WeakPolarHBondContact O-CG 3.31Å; D113-R117 PolarHBondContact O-N 3.11Å; D113-R117 IonicContact OD2-CZ 3.83Å; D113-R117 IonicContact OD2-NE 2.7Å; D113-R117 IonicContact OD2-NH2 2.72Å; D113-R117 PolarHBondContact OD2-NH2 2.73Å
114	L	98.2	Very high	96.8	Very high	31 Å²	31	56.6 Å²	56.6	16%	0.162	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-37.1	173.8	-69.2	172.8	0	0	0	112.3	S110 S111 R112 I118 T533 K536 I537	S110-L114 WeakPolarHBondContact O-CG 3.37Å; S110-L114 PolarHBondContact O-N 3.2Å; S111-L114 PolarHBondContact O-N 3.25Å; R112-L114 PolarHBondContact O-N 2.92Å; L114-I118 WeakPolarHBondContact O-CG2 3.41Å; L114-I118 PolarHBondContact O-N 2.94Å; L114-I118 VanDerWaalsContact O-N 3.16Å; L114-T533 HydrophobicContact CB-CG2 4.18Å; L114-K536 HydrophobicContact CD1-CB 3.68Å; L114-K536 HydrophobicContact CD2-CD 4.13Å; L114-I537 HydrophobicContact CD1-CG1 4.1Å
115	L	97.9	Very high	96.9	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-72	-41	179.7	-162.9	70.5	0	0	0	112.4	S111 R112 D113 I118 K119 I127 V129 L143 I521	S111-L115 PolarHBondContact O-N 2.9Å; R112-L115 WeakPolarHBondContact O-CB 3.28Å; R112-L115 PolarHBondContact O-N 3.06Å; R112-L115 VanDerWaalsContact O-N 3.11Å; D113-L115 VanDerWaalsContact C-N 3.29Å; D113-L115 PolarHBondContact O-N 2.96Å; L115-I118 WeakPolarHBondContact O-CG2 3.46Å; L115-K119 VanDerWaalsContact O-CB 3.29Å; L115-K119 WeakPolarHBondContact O-CB 3.33Å; L115-K119 PolarHBondContact O-N 2.87Å; L115-I127 HydrophobicContact CD1-CD1 3.72Å; L115-I127 HydrophobicContact CD1-CG1 4.01Å; L115-I127 HydrophobicContact CD1-CG2 4.24Å; L115-I127 HydrophobicContact CD2-CG2 4.29Å; L115-I127 HydrophobicContact CG-CD1 4.49Å; L115-I127 HydrophobicContact CG-CG2 3.98Å; L115-V129 HydrophobicContact CD1-CB 4.21Å; L115-V129 HydrophobicContact CD2-CB 3.87Å; L115-V129 HydrophobicContact CD2-CG1 3.57Å; L115-L143 HydrophobicContact CB-CD1 4.08Å; L115-L143 HydrophobicContact CD2-CD1 3.68Å; L115-L143 HydrophobicContact CD2-CG 4Å; L115-L143 HydrophobicContact CG-CD1 3.84Å; L115-I521 HydrophobicContact CD1-CD1 4.47Å; L115-I521 HydrophobicContact CD1-CG2 4Å
116	H	98	Very high	97.1	Very high	72 Å²	72	53 Å²	53	33%	0.333	26%	0.256	S	S	.	.	H	α-helix	trans	-59.8	-49.9	171.5	-84.2	-77.4	0	0	0	111.5	R112 D113 I118 K119 D120	R112-H116 PolarHBondContact O-CD2 3.13Å; R112-H116 VanDerWaalsContact O-CD2 3.29Å; R112-H116 PolarHBondContact O-N 3.09Å; D113-H116 PolarHBondContact O-N 3.41Å; H116-I118 PolarHBondContact O-N 2.67Å; H116-K119 WeakPolarHBondContact O-CB 3.39Å; H116-K119 PolarHBondContact O-N 3.47Å; H116-D120 WeakPolarHBondContact O-CB 3.1Å; H116-D120 PolarHBondContact O-N 2.83Å
117	R	97.8	Very high	97.3	Very high	137 Å²	137	46.7 Å²	46.7	52%	0.517	23%	0.232	S	C	.	.	H	α-helix	trans	-56.1	-52.9	-179.7	-69.4	170.9	-153.8	-173.2	8.9	111.6	D113 K119 D120 E121	D113-R117 VanDerWaalsContact O-CG 3.25Å; D113-R117 WeakPolarHBondContact O-CG 3.31Å; D113-R117 PolarHBondContact O-N 3.11Å; D113-R117 IonicContact OD2-CZ 3.83Å; D113-R117 IonicContact OD2-NE 2.7Å; D113-R117 IonicContact OD2-NH2 2.72Å; D113-R117 PolarHBondContact OD2-NH2 2.73Å; R117-K119 VanDerWaalsContact C-N 3.31Å; R117-K119 PolarHBondContact O-N 3.4Å; R117-D120 PolarHBondContact O-N 3.46Å; R117-E121 VanDerWaalsContact O-CB 3.26Å; R117-E121 WeakPolarHBondContact O-CB 3.23Å; R117-E121 WeakPolarHBondContact O-CG 3.34Å; R117-E121 PolarHBondContact O-N 2.91Å
118	I	97.6	Very high	97.4	Very high	18 Å²	18	46.7 Å²	46.7	9%	0.092	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-36.1	-180	-170.1	59.7	0	0	0	112.2	L114 L115 H116 V122 I127 V528 L530 T533	L114-I118 WeakPolarHBondContact O-CG2 3.41Å; L114-I118 PolarHBondContact O-N 2.94Å; L114-I118 VanDerWaalsContact O-N 3.16Å; L115-I118 WeakPolarHBondContact O-CG2 3.46Å; H116-I118 PolarHBondContact O-N 2.67Å; I118-V122 HydrophobicContact CD1-CG1 3.97Å; I118-V122 WeakPolarHBondContact O-CG2 3.42Å; I118-V122 PolarHBondContact O-N 2.86Å; I118-I127 HydrophobicContact CG2-CD1 4.05Å; I118-V528 HydrophobicContact CG1-CG1 4.3Å; I118-L530 HydrophobicContact CG1-CD2 4.32Å; I118-T533 HydrophobicContact CG2-CG2 4.04Å
119	K	97.4	Very high	97.4	Very high	33 Å²	33	45.9 Å²	45.9	14%	0.143	23%	0.228	C	C	.	.	H	α-helix	trans	-61.1	-46.6	176.9	-174.2	-171.8	135.8	-75.9	0	110.8	L115 H116 R117 G123 A124 I127 L143	L115-K119 VanDerWaalsContact O-CB 3.29Å; L115-K119 WeakPolarHBondContact O-CB 3.33Å; L115-K119 PolarHBondContact O-N 2.87Å; H116-K119 WeakPolarHBondContact O-CB 3.39Å; H116-K119 PolarHBondContact O-N 3.47Å; R117-K119 VanDerWaalsContact C-N 3.31Å; R117-K119 PolarHBondContact O-N 3.4Å; K119-G123 CarbonylContact O-C 3.55Å; K119-G123 WeakPolarHBondContact O-CA 3.17Å; K119-G123 PolarHBondContact O-N 2.63Å; K119-A124 WeakPolarHBondContact CE-O 3.37Å; K119-A124 HydrophobicContact CG-CB 3.98Å; K119-A124 VanDerWaalsContact CG-O 3.29Å; K119-A124 WeakPolarHBondContact CG-O 3.34Å; K119-A124 PolarHBondContact O-N 3.08Å; K119-I127 HydrophobicContact CB-CG2 4.04Å; K119-I127 HydrophobicContact CD-CG2 3.92Å; K119-I127 HydrophobicContact CG-CG2 4.02Å; K119-L143 HydrophobicContact CD-CB 3.96Å
120	D	96.6	Very high	97.5	Very high	98 Å²	98	39.4 Å²	39.4	52%	0.524	20%	0.197	S	C	.	.	H	α-helix	trans	-81	-36	-173.3	-63.9	-20	0	0	0	112.2	H116 R117 V122 G123	H116-D120 WeakPolarHBondContact O-CB 3.1Å; H116-D120 PolarHBondContact O-N 2.83Å; R117-D120 PolarHBondContact O-N 3.46Å; D120-V122 VanDerWaalsContact C-N 3.3Å; D120-V122 PolarHBondContact O-N 3.08Å; D120-G123 PolarHBondContact O-N 2.91Å
121	E	95.6	Very high	97.6	Very high	149 Å²	149	37.4 Å²	37.4	70%	0.696	18%	0.183	S	C	*	.	H	α-helix	trans	-56.7	-40.9	172.8	-80.1	172.6	-166.2	0	0	112.7	R117	R117-E121 VanDerWaalsContact O-CB 3.26Å; R117-E121 WeakPolarHBondContact O-CB 3.23Å; R117-E121 WeakPolarHBondContact O-CG 3.34Å; R117-E121 PolarHBondContact O-N 2.91Å
122	V	94.6	Very high	97.6	Very high	46 Å²	46	37.4 Å²	37.4	28%	0.279	18%	0.183	S	C	.	.	H	α-helix	trans	-92.8	-16.7	-179.9	-53.4	0	0	0	0	113.2	I118 D120 A124 Y377 M525 V528	I118-V122 HydrophobicContact CD1-CG1 3.97Å; I118-V122 WeakPolarHBondContact O-CG2 3.42Å; I118-V122 PolarHBondContact O-N 2.86Å; D120-V122 VanDerWaalsContact C-N 3.3Å; D120-V122 PolarHBondContact O-N 3.08Å; V122-A124 HydrophobicContact CG2-CB 3.7Å; V122-Y377 WeakPolarHBondContact O-CE2 3.35Å; V122-M525 HydrophobicContact CB-CE 4Å; V122-M525 HydrophobicContact CG2-CE 3.65Å; V122-M525 WeakPolarHBondContact O-CE 3.29Å; V122-V528 HydrophobicContact CB-CG2 4.25Å; V122-V528 HydrophobicContact CG1-CG1 4.17Å; V122-V528 HydrophobicContact CG2-CG1 3.98Å; V122-V528 HydrophobicContact CG2-CG2 3.77Å
123	G	95.5	Very high	97.6	Very high	24 Å²	24	34 Å²	34	25%	0.247	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	31.5	-173.8	0	0	0	0	0	113.9	K119 D120 Y377	K119-G123 CarbonylContact O-C 3.55Å; K119-G123 WeakPolarHBondContact O-CA 3.17Å; K119-G123 PolarHBondContact O-N 2.63Å; D120-G123 PolarHBondContact O-N 2.91Å; G123-Y377 WeakPolarHBondContact CA-OH 3.39Å; G123-Y377 PolarHBondContact O-OH 3.35Å
124	A	96.4	Very high	97.5	Very high	4 Å²	4	32.1 Å²	32.1	3%	0.033	16%	0.161	C	C	.	.			trans	-66.5	127.3	-178.7	0	0	0	0	0	111.1	K119 V122 C523 M525	K119-A124 WeakPolarHBondContact CE-O 3.37Å; K119-A124 HydrophobicContact CG-CB 3.98Å; K119-A124 VanDerWaalsContact CG-O 3.29Å; K119-A124 WeakPolarHBondContact CG-O 3.34Å; K119-A124 PolarHBondContact O-N 3.08Å; V122-A124 HydrophobicContact CG2-CB 3.7Å; A124-C523 VanDerWaalsContact CB-SG 3.53Å; A124-M525 HydrophobicContact CB-CE 3.99Å
125	P	97.7	Very high	97.4	Very high	14 Å²	14	31.9 Å²	31.9	9%	0.091	17%	0.167	C	C	.	.	S	Bend	trans	-64.8	-43	177.8	-24	36.4	0	0	0	112.5	G144 Y145 V148 Y375 L383	P125-G144 CarbonylContact O-C 3.51Å; P125-G144 VanDerWaalsContact O-CA 3.29Å; P125-G144 WeakPolarHBondContact O-CA 3.46Å; P125-Y145 PolarHBondContact O-N 2.81Å; P125-V148 HydrophobicContact CB-CG2 3.53Å; P125-V148 HydrophobicContact CG-CG2 4.27Å; P125-Y375 HydrophobicContact CB-CD2 4.04Å; P125-Y375 HydrophobicContact CB-CE2 4.3Å; P125-Y375 HydrophobicContact CG-CD2 3.72Å; P125-Y375 HydrophobicContact CG-CE2 4.41Å; P125-Y375 HydrophobicContact CG-CG 3.92Å; P125-L383 HydrophobicContact CG-CD1 3.74Å; P125-L383 HydrophobicContact CG-CD2 3.67Å; P125-L383 HydrophobicContact CG-CG 4.31Å
126	G	98.2	Very high	97.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	136.2	-178.3	0	0	0	0	0	112.4	L143 Y145 C154 N524	G126-L143 WeakPolarHBondContact CA-O 3.49Å; G126-Y145 WeakPolarHBondContact CA-O 3.48Å; G126-Y145 PolarHBondContact N-O 3.48Å; G126-C154 WeakPolarHBondContact CA-SG 3.28Å; G126-N524 WeakPolarHBondContact CA-OD1 3.45Å; G126-N524 PolarHBondContact N-OD1 3.01Å; G126-N524 PolarHBondContact O-N 3.25Å; G126-N524 VanDerWaalsContact O-N 3.1Å; G126-N524 PolarHBondContact O-OD1 2.82Å
127	I	98.7	Very high	97.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	143.4	174.4	-164.1	166.7	0	0	0	109.3	L115 I118 K119 G142 L143 I521 I522 C523 L530	L115-I127 HydrophobicContact CD1-CD1 3.72Å; L115-I127 HydrophobicContact CD1-CG1 4.01Å; L115-I127 HydrophobicContact CD1-CG2 4.24Å; L115-I127 HydrophobicContact CD2-CG2 4.29Å; L115-I127 HydrophobicContact CG-CD1 4.49Å; L115-I127 HydrophobicContact CG-CG2 3.98Å; I118-I127 HydrophobicContact CG2-CD1 4.05Å; K119-I127 HydrophobicContact CB-CG2 4.04Å; K119-I127 HydrophobicContact CD-CG2 3.92Å; K119-I127 HydrophobicContact CG-CG2 4.02Å; I127-G142 WeakPolarHBondContact O-CA 3.39Å; I127-L143 HydrophobicContact CG2-CB 3.93Å; I127-L143 HydrophobicContact CG2-CD1 4.47Å; I127-L143 PolarHBondContact N-O 2.96Å; I127-L143 PolarHBondContact O-N 2.85Å; I127-I521 HydrophobicContact CD1-CG2 3.72Å; I127-I521 HydrophobicContact CG1-CG2 3.63Å; I127-I522 CarbonylContact C-O 3.59Å; I127-I522 WeakPolarHBondContact CA-O 3.47Å; I127-C523 HydrophobicContact CD1-CB 4.41Å; I127-C523 HydrophobicContact CG1-CB 4.13Å; I127-L530 HydrophobicContact CD1-CD2 3.93Å
128	V	98.8	Very high	97.3	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.8	179.1	-172.5	0	0	0	0	108.5	E141 C154 M160 V404 I521 I522	V128-E141 CarbonylContact C-O 2.99Å; V128-E141 WeakPolarHBondContact CA-O 3.5Å; V128-C154 HydrophobicContact CG2-CB 4.06Å; V128-M160 HydrophobicContact CG2-CE 3.83Å; V128-V404 HydrophobicContact CB-CG1 4.23Å; V128-V404 HydrophobicContact CG1-CB 4.47Å; V128-V404 HydrophobicContact CG1-CG1 3.9Å; V128-V404 HydrophobicContact CG1-CG2 3.7Å; V128-I521 CarbonylContact O-C 3.59Å; V128-I521 VanDerWaalsContact O-CA 3.3Å; V128-I521 WeakPolarHBondContact O-CA 3.36Å; V128-I521 WeakPolarHBondContact O-CG2 3.47Å; V128-I522 PolarHBondContact N-O 3.19Å; V128-I522 PolarHBondContact O-N 2.71Å
129	V	98.9	Very high	97.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	146.8	175.7	67.6	0	0	0	0	110.2	L115 V131 W139 S140 E141 V519 S520 I521 I537	L115-V129 HydrophobicContact CD1-CB 4.21Å; L115-V129 HydrophobicContact CD2-CB 3.87Å; L115-V129 HydrophobicContact CD2-CG1 3.57Å; V129-V131 HydrophobicContact CG2-CG2 4.27Å; V129-W139 HydrophobicContact CB-CZ3 4.49Å; V129-W139 HydrophobicContact CG1-CD2 4.27Å; V129-W139 HydrophobicContact CG1-CE3 4.13Å; V129-W139 HydrophobicContact CG1-CH2 3.56Å; V129-W139 HydrophobicContact CG1-CZ2 3.69Å; V129-W139 HydrophobicContact CG1-CZ3 3.77Å; V129-W139 HydrophobicContact CG2-CE3 4.42Å; V129-W139 HydrophobicContact CG2-CH2 4.36Å; V129-W139 HydrophobicContact CG2-CZ3 3.91Å; V129-S140 VanDerWaalsContact O-CA 3.22Å; V129-S140 WeakPolarHBondContact O-CA 3.47Å; V129-S140 WeakPolarHBondContact O-CB 3.35Å; V129-S140 PolarHBondContact O-OG 3.35Å; V129-E141 HydrophobicContact CG1-CB 4.06Å; V129-E141 PolarHBondContact N-O 2.67Å; V129-E141 PolarHBondContact O-N 2.88Å; V129-V519 HydrophobicContact CG2-CG1 4.38Å; V129-S520 CarbonylContact C-O 3.57Å; V129-S520 WeakPolarHBondContact CA-O 3.41Å; V129-I521 HydrophobicContact CG2-CG1 4.02Å; V129-I537 HydrophobicContact CG2-CD1 4.27Å
130	G	98.8	Very high	97.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	141.8	162.8	0	0	0	0	0	109.5	W139 V519 S520	G130-W139 CarbonylContact C-O 3.17Å; G130-W139 WeakPolarHBondContact CA-O 3.19Å; G130-V519 WeakPolarHBondContact O-CA 3.34Å; G130-S520 PolarHBondContact N-O 3.11Å; G130-S520 PolarHBondContact O-N 2.95Å
131	V	98.9	Very high	97.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.5	174.2	-176.4	0	0	0	0	110.3	V129 V133 V138 W139 I517 I518 V519 I537 F541	V129-V131 HydrophobicContact CG2-CG2 4.27Å; V131-V133 HydrophobicContact CG1-CG2 4.4Å; V131-V138 HydrophobicContact CB-CG2 4.5Å; V131-V138 HydrophobicContact CG1-CG2 4.25Å; V131-V138 PolarHBondContact O-N 2.84Å; V131-W139 HydrophobicContact CB-CB 4.48Å; V131-W139 HydrophobicContact CB-CE3 4.35Å; V131-W139 HydrophobicContact CG2-CE3 3.59Å; V131-W139 HydrophobicContact CG2-CZ3 4.1Å; V131-W139 PolarHBondContact N-O 3.46Å; V131-W139 PolarHBondContact O-N 3.26Å; V131-I517 HydrophobicContact CG1-CG2 3.87Å; V131-I518 CarbonylContact C-O 3.54Å; V131-I518 VanDerWaalsContact CA-O 3.28Å; V131-I518 WeakPolarHBondContact CA-O 3.39Å; V131-V519 HydrophobicContact CG1-CG2 4.35Å; V131-V519 HydrophobicContact CG2-CG1 4.28Å; V131-V519 HydrophobicContact CG2-CG2 4.13Å; V131-I537 HydrophobicContact CG2-CG2 3.66Å; V131-F541 HydrophobicContact CB-CE1 4.41Å; V131-F541 HydrophobicContact CB-CE2 4.27Å; V131-F541 HydrophobicContact CB-CZ 4.18Å; V131-F541 HydrophobicContact CG1-CB 4.35Å; V131-F541 HydrophobicContact CG1-CD1 3.85Å; V131-F541 HydrophobicContact CG1-CD2 3.91Å; V131-F541 HydrophobicContact CG1-CE1 4.04Å; V131-F541 HydrophobicContact CG1-CE2 4.09Å; V131-F541 HydrophobicContact CG1-CG 3.77Å; V131-F541 HydrophobicContact CG1-CZ 4.14Å; V131-F541 HydrophobicContact CG2-CD2 4.34Å; V131-F541 HydrophobicContact CG2-CE2 3.96Å; V131-F541 HydrophobicContact CG2-CZ 4.27Å
132	S	98.7	Very high	97.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	137.3	169	171.9	0	0	0	0	109.9	K136 N412 I517 I518	S132-K136 CarbonylContact C-O 3.52Å; S132-K136 WeakPolarHBondContact CA-O 3.45Å; S132-K136 PolarHBondContact OG-N 3.49Å; S132-K136 PolarHBondContact OG-O 3.33Å; S132-N412 VanDerWaalsContact OG-CG 3.29Å; S132-N412 PolarHBondContact OG-ND2 3.27Å; S132-N412 PolarHBondContact OG-OD1 3.03Å; S132-I517 CarbonylContact O-C 3.58Å; S132-I517 WeakPolarHBondContact O-CA 3.44Å; S132-I518 PolarHBondContact N-O 3.48Å; S132-I518 PolarHBondContact O-N 3.41Å
133	V	98.1	Very high	97.8	Very high	8 Å²	8	24.1 Å²	24.1	5%	0.048	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.8	173.2	176.6	0	0	0	0	107.9	F104 V131 G135 K136 V138 I517 F541 R545	F104-V133 HydrophobicContact CE1-CG1 4.34Å; F104-V133 HydrophobicContact CE1-CG2 4.31Å; F104-V133 HydrophobicContact CE2-CB 4.42Å; F104-V133 HydrophobicContact CE2-CG1 4.44Å; F104-V133 HydrophobicContact CE2-CG2 4.45Å; F104-V133 HydrophobicContact CZ-CB 4.15Å; F104-V133 HydrophobicContact CZ-CG1 3.76Å; F104-V133 HydrophobicContact CZ-CG2 4.14Å; V131-V133 HydrophobicContact CG1-CG2 4.4Å; V133-G135 PolarHBondContact O-N 3.22Å; V133-G135 VanDerWaalsContact O-N 3.14Å; V133-K136 PolarHBondContact N-O 3.43Å; V133-K136 PolarHBondContact O-N 3.22Å; V133-V138 HydrophobicContact CB-CG1 4.08Å; V133-V138 HydrophobicContact CB-CG2 4.18Å; V133-V138 HydrophobicContact CG2-CG1 4.34Å; V133-V138 HydrophobicContact CG2-CG2 3.56Å; V133-I517 HydrophobicContact CB-CD1 4.32Å; V133-I517 HydrophobicContact CG1-CD1 3.95Å; V133-I517 HydrophobicContact CG2-CD1 3.87Å; V133-I517 HydrophobicContact CG2-CG2 4.47Å; V133-F541 HydrophobicContact CG2-CB 4.33Å; V133-F541 HydrophobicContact CG2-CD1 3.91Å; V133-R545 HydrophobicContact CG1-CB 4.48Å; V133-R545 HydrophobicContact CG1-CG 3.94Å
134	D	95.9	Very high	97.9	Very high	38 Å²	38	24.4 Å²	24.4	20%	0.203	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	43.2	177.7	-57.4	-30.2	0	0	0	113.1	P514 R515 G516 R545	D134-P514 CarbonylContact C-O 3.59Å; D134-P514 VanDerWaalsContact C-O 3.28Å; D134-P514 WeakPolarHBondContact CA-O 3.26Å; D134-R515 VanDerWaalsContact CG-CZ 3.43Å; D134-R515 WeakPolarHBondContact OD1-CA 3.45Å; D134-R515 IonicContact OD1-CZ 3.13Å; D134-R515 IonicContact OD1-NE 2.76Å; D134-R515 IonicContact OD1-NH1 3.37Å; D134-R515 IonicContact OD1-NH2 3.16Å; D134-R515 IonicContact OD2-CZ 3.46Å; D134-R515 IonicContact OD2-NE 3.93Å; D134-R515 IonicContact OD2-NH1 2.75Å; D134-R515 PolarHBondContact OD2-NH1 2.69Å; D134-R515 IonicContact OD2-NH2 2.67Å; D134-R515 PolarHBondContact OD2-NH2 2.91Å; D134-G516 PolarHBondContact N-O 3.27Å; D134-G516 PolarHBondContact OD1-N 3.18Å; D134-R545 IonicContact OD1-CZ 2.62Å; D134-R545 IonicContact OD1-NH1 3.77Å; D134-R545 PolarHBondContact OD1-NH1 2.9Å; D134-R545 IonicContact OD2-NH1 3.52Å
135	G	96.1	Very high	98	Very high	27 Å²	27	29.2 Å²	29.2	28%	0.278	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	-4.3	177.7	0	0	0	0	0	116.1	V133 N412	V133-G135 PolarHBondContact O-N 3.22Å; V133-G135 VanDerWaalsContact O-N 3.14Å; G135-N412 PolarHBondContact O-ND2 2.88Å
136	K	96.4	Very high	98.1	Very high	155 Å²	155	28.8 Å²	28.8	67%	0.674	16%	0.156	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.2	-177.1	-62.6	179.6	-177.4	177.1	0	111.2	S132 V133 V138	S132-K136 CarbonylContact C-O 3.52Å; S132-K136 WeakPolarHBondContact CA-O 3.45Å; S132-K136 PolarHBondContact OG-N 3.49Å; S132-K136 PolarHBondContact OG-O 3.33Å; V133-K136 PolarHBondContact N-O 3.43Å; V133-K136 PolarHBondContact O-N 3.22Å; K136-V138 PolarHBondContact O-N 3.05Å
137	E	97.6	Very high	98.1	Very high	100 Å²	100	29.6 Å²	29.6	47%	0.467	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	123.5	168.3	-172.7	175.5	134.2	0	0	109.8	S140 L408	E137-S140 WeakPolarHBondContact OE1-CB 3.38Å; E137-L408 HydrophobicContact CB-CD1 4.16Å; E137-L408 HydrophobicContact CG-CD1 3.7Å
138	V	97.8	Very high	98	Very high	21 Å²	21	32.1 Å²	32.1	13%	0.127	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-20.3	-178.2	-65.7	0	0	0	0	113	F104 V131 V133 K136 F541	F104-V138 HydrophobicContact CD2-CB 3.86Å; F104-V138 HydrophobicContact CD2-CG1 3.83Å; F104-V138 HydrophobicContact CD2-CG2 4.14Å; F104-V138 HydrophobicContact CE2-CB 4.26Å; F104-V138 HydrophobicContact CE2-CG1 3.72Å; V131-V138 HydrophobicContact CB-CG2 4.5Å; V131-V138 HydrophobicContact CG1-CG2 4.25Å; V131-V138 PolarHBondContact O-N 2.84Å; V133-V138 HydrophobicContact CB-CG1 4.08Å; V133-V138 HydrophobicContact CB-CG2 4.18Å; V133-V138 HydrophobicContact CG2-CG1 4.34Å; V133-V138 HydrophobicContact CG2-CG2 3.56Å; K136-V138 PolarHBondContact O-N 3.05Å; V138-F541 HydrophobicContact CG2-CD1 3.92Å; V138-F541 HydrophobicContact CG2-CE1 3.59Å
139	W	98.3	Very high	97.9	Very high	14 Å²	14	36.8 Å²	36.8	5%	0.053	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	130.2	176.8	177.7	47.8	0	0	0	110.2	I108 R112 V129 G130 V131 E141 I537 F541	I108-W139 HydrophobicContact CD1-CB 4.15Å; I108-W139 HydrophobicContact CD1-CG 4.35Å; I108-W139 HydrophobicContact CG1-CB 3.92Å; I108-W139 HydrophobicContact CG1-CD2 4.26Å; I108-W139 HydrophobicContact CG1-CG 3.86Å; I108-W139 HydrophobicContact CG2-CD2 4.45Å; I108-W139 HydrophobicContact CG2-CG 4.35Å; R112-W139 HydrophobicContact CB-CZ2 4.14Å; V129-W139 HydrophobicContact CB-CZ3 4.49Å; V129-W139 HydrophobicContact CG1-CD2 4.27Å; V129-W139 HydrophobicContact CG1-CE3 4.13Å; V129-W139 HydrophobicContact CG1-CH2 3.56Å; V129-W139 HydrophobicContact CG1-CZ2 3.69Å; V129-W139 HydrophobicContact CG1-CZ3 3.77Å; V129-W139 HydrophobicContact CG2-CE3 4.42Å; V129-W139 HydrophobicContact CG2-CH2 4.36Å; V129-W139 HydrophobicContact CG2-CZ3 3.91Å; G130-W139 CarbonylContact C-O 3.17Å; G130-W139 WeakPolarHBondContact CA-O 3.19Å; V131-W139 HydrophobicContact CB-CB 4.48Å; V131-W139 HydrophobicContact CB-CE3 4.35Å; V131-W139 HydrophobicContact CG2-CE3 3.59Å; V131-W139 HydrophobicContact CG2-CZ3 4.1Å; V131-W139 PolarHBondContact N-O 3.46Å; V131-W139 PolarHBondContact O-N 3.26Å; W139-E141 HydrophobicContact CZ2-CB 4.15Å; W139-E141 PolarHBondContact NE1-OE2 3.41Å; W139-I537 HydrophobicContact CZ3-CD1 4.41Å; W139-I537 HydrophobicContact CZ3-CG2 4.17Å; W139-F541 HydrophobicContact CB-CE1 4.33Å; W139-F541 HydrophobicContact CB-CZ 3.89Å; W139-F541 HydrophobicContact CD2-CZ 4.15Å; W139-F541 AromaticContact CE3-CE2 3.65Å; W139-F541 HydrophobicContact CE3-CE2 3.65Å; W139-F541 AromaticContact CE3-CZ 3.63Å; W139-F541 HydrophobicContact CE3-CZ 3.63Å; W139-F541 HydrophobicContact CG-CZ 4.31Å; W139-F541 HydrophobicContact CZ3-CE2 4.1Å; W139-F541 HydrophobicContact CZ3-CZ 4.48Å
140	S	98.4	Very high	97.9	Very high	25 Å²	25	42 Å²	42	18%	0.175	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	141	160.2	-174.8	0	0	0	0	109.8	V129 E137 P156 V404	V129-S140 VanDerWaalsContact O-CA 3.22Å; V129-S140 WeakPolarHBondContact O-CA 3.47Å; V129-S140 WeakPolarHBondContact O-CB 3.35Å; V129-S140 PolarHBondContact O-OG 3.35Å; E137-S140 WeakPolarHBondContact OE1-CB 3.38Å; S140-P156 WeakPolarHBondContact OG-CB 3.32Å; S140-V404 VanDerWaalsContact OG-CG2 3.26Å; S140-V404 WeakPolarHBondContact OG-CG2 3.29Å
141	E	98.4	Very high	97.8	Very high	38 Å²	38	51.2 Å²	51.2	18%	0.178	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	140.2	-172.8	-168.4	165.6	150	0	0	111.3	R112 V128 V129 W139 L143	R112-E141 WeakPolarHBondContact CD-OE1 3.31Å; R112-E141 IonicContact CZ-OE1 3.17Å; R112-E141 IonicContact CZ-OE2 2.73Å; R112-E141 VanDerWaalsContact CZ-OE2 3.31Å; R112-E141 VanDerWaalsContact NE-CD 3.34Å; R112-E141 IonicContact NE-OE1 3.68Å; R112-E141 PolarHBondContact NE-OE1 3.27Å; R112-E141 IonicContact NE-OE2 2.79Å; R112-E141 PolarHBondContact NE-OE2 2.98Å; R112-E141 VanDerWaalsContact NE-OE2 3.09Å; R112-E141 IonicContact NH2-OE1 3.84Å; R112-E141 IonicContact NH2-OE2 3.74Å; R112-E141 PolarHBondContact NH2-OE2 3.44Å; V128-E141 CarbonylContact C-O 2.99Å; V128-E141 WeakPolarHBondContact CA-O 3.5Å; V129-E141 HydrophobicContact CG1-CB 4.06Å; V129-E141 PolarHBondContact N-O 2.67Å; V129-E141 PolarHBondContact O-N 2.88Å; W139-E141 HydrophobicContact CZ2-CB 4.15Å; W139-E141 PolarHBondContact NE1-OE2 3.41Å; E141-L143 HydrophobicContact CG-CD2 4.28Å
142	G	98.3	Very high	97.8	Very high	20 Å²	20	54.6 Å²	54.6	21%	0.206	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	131.5	172.5	0	0	0	0	0	110.6	I127	I127-G142 WeakPolarHBondContact O-CA 3.39Å
143	L	98.4	Very high	97.8	Very high	17 Å²	17	57.8 Å²	57.8	9%	0.089	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.4	175	-56.9	-179.5	0	0	0	110.3	L115 K119 G126 I127 E141	L115-L143 HydrophobicContact CB-CD1 4.08Å; L115-L143 HydrophobicContact CD2-CD1 3.68Å; L115-L143 HydrophobicContact CD2-CG 4Å; L115-L143 HydrophobicContact CG-CD1 3.84Å; K119-L143 HydrophobicContact CD-CB 3.96Å; G126-L143 WeakPolarHBondContact CA-O 3.49Å; I127-L143 HydrophobicContact CG2-CB 3.93Å; I127-L143 HydrophobicContact CG2-CD1 4.47Å; I127-L143 PolarHBondContact N-O 2.96Å; I127-L143 PolarHBondContact O-N 2.85Å; E141-L143 HydrophobicContact CG-CD2 4.28Å
144	G	98.1	Very high	97.7	Very high	29 Å²	29	57.8 Å²	57.8	30%	0.299	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	79.3	-143.1	178.5	0	0	0	0	0	113.4	P125 P153 C154	P125-G144 CarbonylContact O-C 3.51Å; P125-G144 VanDerWaalsContact O-CA 3.29Å; P125-G144 WeakPolarHBondContact O-CA 3.46Å; G144-P153 WeakPolarHBondContact O-CA 3.46Å; G144-C154 PolarHBondContact O-N 3.49Å
145	Y	98.5	Very high	97.8	Very high	105 Å²	105	61.4 Å²	61.4	41%	0.412	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.8	-167.6	-61.2	-78.5	0	0	0	113.4	P125 G126 R151 V152 N524	P125-Y145 PolarHBondContact O-N 2.81Å; G126-Y145 WeakPolarHBondContact CA-O 3.48Å; G126-Y145 PolarHBondContact N-O 3.48Å; Y145-R151 HydrophobicContact CD1-CB 4.33Å; Y145-R151 HydrophobicContact CE1-CB 3.93Å; Y145-V152 CarbonylContact C-O 3.57Å; Y145-V152 VanDerWaalsContact CA-O 3.25Å; Y145-V152 WeakPolarHBondContact CA-O 3.32Å; Y145-N524 PolarHBondContact O-ND2 3.23Å
146	A	98.4	Very high	97.9	Very high	6 Å²	6	61.9 Å²	61.9	5%	0.05	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-34.4	167.8	0	0	0	0	0	111.2	V152 C154 T158 A372 R373 N524	A146-V152 HydrophobicContact CB-CG1 4.38Å; A146-V152 PolarHBondContact N-O 3.04Å; A146-C154 PolarHBondContact N-SG 3.1Å; A146-C154 VanDerWaalsContact N-SG 3.39Å; A146-T158 HydrophobicContact CB-CG2 3.64Å; A146-A372 HydrophobicContact CB-CB 4.18Å; A146-A372 WeakPolarHBondContact O-CA 3.41Å; A146-R373 PolarHBondContact O-N 2.81Å; A146-N524 PolarHBondContact O-ND2 3.25Å
147	D	98.1	Very high	98	Very high	17 Å²	17	59.1 Å²	59.1	9%	0.091	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	112.6	172.4	-176	-47.3	0	0	0	108	E149 N150 R151 V152 R373	D147-E149 PolarHBondContact OD1-N 3.37Å; D147-N150 HydrophobicContact CB-CB 4.46Å; D147-N150 WeakPolarHBondContact OD1-CB 3.44Å; D147-N150 PolarHBondContact OD1-N 3.44Å; D147-N150 PolarHBondContact OD1-ND2 3.18Å; D147-N150 PolarHBondContact OD2-ND2 3.27Å; D147-R151 CarbonylContact O-C 3.49Å; D147-R151 WeakPolarHBondContact O-CA 3.38Å; D147-R151 PolarHBondContact O-N 3.35Å; D147-V152 HydrophobicContact CB-CB 3.98Å; D147-V152 HydrophobicContact CB-CG2 4.01Å; D147-V152 PolarHBondContact N-O 2.99Å; D147-V152 PolarHBondContact O-N 3.02Å; D147-R373 HydrophobicContact CB-CB 4.47Å; D147-R373 HydrophobicContact CB-CG 3.82Å; D147-R373 VanDerWaalsContact CG-CG 3.42Å; D147-R373 WeakPolarHBondContact OD2-CG 3.34Å; D147-R373 IonicContact OD2-NE 3.74Å; D147-R373 PolarHBondContact OD2-NE 2.68Å
148	V	97.7	Very high	98	Very high	53 Å²	53	54.7 Å²	54.7	32%	0.321	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-42.9	-176.2	176.8	0	0	0	0	111.1	P125 N150 R151 Y375 L383	P125-V148 HydrophobicContact CB-CG2 3.53Å; P125-V148 HydrophobicContact CG-CG2 4.27Å; V148-N150 VanDerWaalsContact C-N 3.31Å; V148-N150 PolarHBondContact O-N 3.43Å; V148-R151 PolarHBondContact O-N 2.8Å; V148-Y375 HydrophobicContact CB-CE1 4.26Å; V148-Y375 HydrophobicContact CG2-CE1 4.13Å; V148-Y375 HydrophobicContact CG2-CE2 3.81Å; V148-Y375 PolarHBondContact N-OH 2.76Å; V148-L383 HydrophobicContact CG2-CD2 4.48Å
149	E	96.9	Very high	98.1	Very high	100 Å²	100	53.7 Å²	53.7	47%	0.467	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-42.2	-179	-70.9	82.9	168.8	0	0	111.4	D147 Y375 N385	D147-E149 PolarHBondContact OD1-N 3.37Å; E149-Y375 WeakPolarHBondContact OE2-CE1 3.5Å; E149-Y375 PolarHBondContact OE2-OH 2.98Å; E149-N385 PolarHBondContact OE1-ND2 2.97Å
150	N	97.7	Very high	98.1	Very high	110 Å²	110	53 Å²	53	59%	0.588	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	2.8	-179	-60.7	-69	0	0	0	113.4	D147 V148 V152	D147-N150 HydrophobicContact CB-CB 4.46Å; D147-N150 WeakPolarHBondContact OD1-CB 3.44Å; D147-N150 PolarHBondContact OD1-N 3.44Å; D147-N150 PolarHBondContact OD1-ND2 3.18Å; D147-N150 PolarHBondContact OD2-ND2 3.27Å; V148-N150 VanDerWaalsContact C-N 3.31Å; V148-N150 PolarHBondContact O-N 3.43Å; N150-V152 HydrophobicContact CB-CG2 4.02Å; N150-V152 PolarHBondContact O-N 3.04Å
151	R	97.1	Very high	98.1	Very high	193 Å²	193	52.4 Å²	52.4	73%	0.728	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	33.5	-177.8	-54.3	-177.2	-178.2	-169.5	0.4	114.2	Y145 D147 V148 P153	Y145-R151 HydrophobicContact CD1-CB 4.33Å; Y145-R151 HydrophobicContact CE1-CB 3.93Å; D147-R151 CarbonylContact O-C 3.49Å; D147-R151 WeakPolarHBondContact O-CA 3.38Å; D147-R151 PolarHBondContact O-N 3.35Å; V148-R151 PolarHBondContact O-N 2.8Å; R151-P153 WeakPolarHBondContact O-CD 3.39Å
152	V	98.4	Very high	98	Very high	70 Å²	70	50.6 Å²	50.6	42%	0.424	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	118.8	176.7	-177.2	0	0	0	0	108.5	Y145 A146 D147 N150	Y145-V152 CarbonylContact C-O 3.57Å; Y145-V152 VanDerWaalsContact CA-O 3.25Å; Y145-V152 WeakPolarHBondContact CA-O 3.32Å; A146-V152 HydrophobicContact CB-CG1 4.38Å; A146-V152 PolarHBondContact N-O 3.04Å; D147-V152 HydrophobicContact CB-CB 3.98Å; D147-V152 HydrophobicContact CB-CG2 4.01Å; D147-V152 PolarHBondContact N-O 2.99Å; D147-V152 PolarHBondContact O-N 3.02Å; N150-V152 HydrophobicContact CB-CG2 4.02Å; N150-V152 PolarHBondContact O-N 3.04Å
153	P	98.3	Very high	98	Very high	67 Å²	67	49.7 Å²	49.7	44%	0.435	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	147.8	-178.1	28.8	-35.3	0	0	0	111.6	G144 R151	G144-P153 WeakPolarHBondContact O-CA 3.46Å; R151-P153 WeakPolarHBondContact O-CD 3.39Å
154	C	97.4	Very high	97.9	Very high	8 Å²	8	49.2 Å²	49.2	5%	0.054	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-66.3	141.3	164.3	-86.7	0	0	0	0	110.6	G126 V128 G144 A146 M160	G126-C154 WeakPolarHBondContact CA-SG 3.28Å; V128-C154 HydrophobicContact CG2-CB 4.06Å; G144-C154 PolarHBondContact O-N 3.49Å; A146-C154 PolarHBondContact N-SG 3.1Å; A146-C154 VanDerWaalsContact N-SG 3.39Å; C154-M160 WeakPolarHBondContact SG-CE 3.28Å
155	K	98	Very high	97.9	Very high	115 Å²	115	47.9 Å²	47.9	50%	0.5	23%	0.234	S	C	.	.			trans	-142.3	161.9	177.3	-56.5	-175.3	179.4	-177.8	0	110.4	E157 T158	K155-E157 WeakPolarHBondContact CB-OE2 3.28Å; K155-E157 PolarHBondContact O-N 3.28Å; K155-E157 VanDerWaalsContact O-N 3.11Å; K155-T158 PolarHBondContact N-OG1 2.87Å; K155-T158 WeakPolarHBondContact O-CB 3.43Å; K155-T158 PolarHBondContact O-N 3.18Å; K155-T158 PolarHBondContact O-OG1 3.21Å
156	P	97.9	Very high	97.9	Very high	36 Å²	36	42.9 Å²	42.9	23%	0.234	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.3	-37.8	172.9	-33	40.2	0	0	0	114.8	S140 T158	S140-P156 WeakPolarHBondContact OG-CB 3.32Å; P156-T158 PolarHBondContact O-N 3.42Å
157	E	98.1	Very high	98	Very high	97 Å²	97	42.6 Å²	42.6	45%	0.453	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	6.7	-177.1	-44.1	75.2	-163.9	0	0	113.4	K155 V159 N370	K155-E157 WeakPolarHBondContact CB-OE2 3.28Å; K155-E157 PolarHBondContact O-N 3.28Å; K155-E157 VanDerWaalsContact O-N 3.11Å; E157-V159 PolarHBondContact O-N 2.87Å; E157-N370 WeakPolarHBondContact O-CB 3.35Å; E157-N370 PolarHBondContact O-ND2 2.71Å
158	T	98.6	Very high	98	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.043	21%	0.207	C	C	.	.			trans	-72.8	121.7	-178.9	-54	0	0	0	0	110.3	A146 K155 P156 M160 A372	A146-T158 HydrophobicContact CB-CG2 3.64Å; K155-T158 PolarHBondContact N-OG1 2.87Å; K155-T158 WeakPolarHBondContact O-CB 3.43Å; K155-T158 PolarHBondContact O-N 3.18Å; K155-T158 PolarHBondContact O-OG1 3.21Å; P156-T158 PolarHBondContact O-N 3.42Å; T158-M160 HydrophobicContact CG2-CE 3.61Å; T158-M160 HydrophobicContact CG2-CG 4.05Å; T158-A372 HydrophobicContact CG2-CB 3.9Å
159	V	98.6	Very high	98	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-86.1	118.3	-177.8	176.5	0	0	0	0	109.4	E157 T358 I368 Y369 N370 R371 A372 L401 T403	E157-V159 PolarHBondContact O-N 2.87Å; V159-T358 HydrophobicContact CG2-CG2 3.51Å; V159-I368 HydrophobicContact CG1-CG2 3.92Å; V159-Y369 WeakPolarHBondContact CG2-O 3.39Å; V159-N370 HydrophobicContact CG2-CB 4.35Å; V159-N370 PolarHBondContact N-O 3.01Å; V159-R371 WeakPolarHBondContact O-CA 3.45Å; V159-A372 PolarHBondContact O-N 2.71Å; V159-L401 HydrophobicContact CG1-CB 3.58Å; V159-L401 HydrophobicContact CG1-CD1 4.06Å; V159-L401 HydrophobicContact CG1-CG 4.45Å; V159-T403 HydrophobicContact CG2-CG2 4.03Å
160	M	98.3	Very high	98.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	156.5	-175.3	-66.7	-164	-174.4	0	0	111.8	V128 C154 T158 I162 A372 F374 L401 S402 I522 N524	V128-M160 HydrophobicContact CG2-CE 3.83Å; C154-M160 WeakPolarHBondContact SG-CE 3.28Å; T158-M160 HydrophobicContact CG2-CE 3.61Å; T158-M160 HydrophobicContact CG2-CG 4.05Å; M160-I162 PolarHBondContact O-N 3.47Å; M160-I162 VanDerWaalsContact O-N 3.12Å; M160-A372 HydrophobicContact CE-CB 4.1Å; M160-A372 HydrophobicContact CG-CB 3.82Å; M160-F374 HydrophobicContact CB-CE1 4.36Å; M160-L401 CarbonylContact O-C 3.57Å; M160-L401 VanDerWaalsContact O-CA 3.25Å; M160-L401 WeakPolarHBondContact O-CA 3.28Å; M160-S402 PolarHBondContact N-O 2.86Å; M160-S402 PolarHBondContact O-N 3.47Å; M160-I522 HydrophobicContact CB-CB 4.31Å; M160-I522 HydrophobicContact CB-CG2 3.45Å; M160-I522 VanDerWaalsContact CB-CG2 3.45Å; M160-I522 HydrophobicContact CG-CG2 4.29Å; M160-I522 HydrophobicContact SD-CB 4.29Å; M160-I522 HydrophobicContact SD-CG2 3.99Å; M160-N524 HydrophobicContact CE-CB 4.06Å; M160-N524 HydrophobicContact SD-CB 3.95Å
161	R	98.1	Very high	98.2	Very high	13 Å²	13	29.3 Å²	29.3	5%	0.049	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	112.2	170.9	-79.2	166.4	177.4	156	10.5	110.2	A163 E362 F374 L401 V490 A492	R161-A163 PolarHBondContact O-N 3.38Å; R161-E362 WeakPolarHBondContact CG-OE2 3.5Å; R161-E362 IonicContact CZ-OE1 2.86Å; R161-E362 VanDerWaalsContact CZ-OE1 3.24Å; R161-E362 IonicContact CZ-OE2 3.41Å; R161-E362 IonicContact NE-OE1 2.73Å; R161-E362 PolarHBondContact NE-OE1 3.49Å; R161-E362 IonicContact NE-OE2 2.64Å; R161-E362 PolarHBondContact NE-OE2 2.91Å; R161-E362 IonicContact NH2-OE1 3.17Å; R161-E362 PolarHBondContact NH2-OE1 2.8Å; R161-E362 IonicContact NH2-OE2 3.22Å; R161-E362 PolarHBondContact NH2-OE2 3.1Å; R161-F374 HydrophobicContact CB-CE1 4.04Å; R161-F374 HydrophobicContact CB-CZ 4.08Å; R161-F374 HydrophobicContact CG-CD2 4.49Å; R161-F374 HydrophobicContact CG-CE1 3.95Å; R161-F374 HydrophobicContact CG-CE2 3.85Å; R161-F374 HydrophobicContact CG-CZ 3.57Å; R161-L401 HydrophobicContact CB-CD2 4.15Å; R161-L401 HydrophobicContact CG-CD2 3.57Å; R161-V490 WeakPolarHBondContact CD-O 3.48Å; R161-V490 PolarHBondContact NH1-O 3.43Å; R161-A492 HydrophobicContact CB-CB 3.48Å; R161-A492 VanDerWaalsContact CB-CB 3.48Å; R161-A492 HydrophobicContact CG-CB 4.35Å
162	I	98.3	Very high	98.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.			trans	-82.1	-4.7	172.8	59	165.5	0	0	0	113.2	M160 S164 I165 L169 F400 L407 S494 I522	M160-I162 PolarHBondContact O-N 3.47Å; M160-I162 VanDerWaalsContact O-N 3.12Å; I162-S164 PolarHBondContact O-N 3.22Å; I162-I165 HydrophobicContact CB-CB 4.28Å; I162-I165 HydrophobicContact CB-CD1 4.44Å; I162-I165 HydrophobicContact CD1-CB 4.26Å; I162-I165 HydrophobicContact CD1-CG2 4.26Å; I162-I165 PolarHBondContact O-N 3.12Å; I162-L169 HydrophobicContact CD1-CD1 3.57Å; I162-F400 HydrophobicContact CD1-CB 3.96Å; I162-F400 HydrophobicContact CG1-CB 3.98Å; I162-F400 WeakPolarHBondContact CG1-O 3.37Å; I162-F400 PolarHBondContact N-O 3.48Å; I162-F400 VanDerWaalsContact N-O 3.11Å; I162-L407 HydrophobicContact CB-CD1 4.43Å; I162-L407 HydrophobicContact CD1-CD2 4.11Å; I162-L407 HydrophobicContact CG2-CD1 3.71Å; I162-L407 HydrophobicContact CG2-CD2 4.43Å; I162-L407 HydrophobicContact CG2-CG 4.28Å; I162-S494 PolarHBondContact O-OG 2.87Å; I162-I522 HydrophobicContact CG2-CD1 3.92Å
163	A	96.5	Very high	98.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	49.6	-136.2	174.9	0	0	0	0	0	111	R161 I165 S166 G398 G488 A489	R161-A163 PolarHBondContact O-N 3.38Å; A163-I165 PolarHBondContact O-N 3Å; A163-S166 VanDerWaalsContact O-CB 3.26Å; A163-S166 WeakPolarHBondContact O-CB 3.27Å; A163-S166 PolarHBondContact O-N 3.35Å; A163-S166 PolarHBondContact O-OG 2.97Å; A163-G398 VanDerWaalsContact O-CA 3.29Å; A163-G398 WeakPolarHBondContact O-CA 3.36Å; A163-G488 VanDerWaalsContact CB-C 3.49Å; A163-A489 HydrophobicContact CB-CB 3.55Å
164	S	97.3	Very high	98.3	Very high	8 Å²	8	13.6 Å²	13.6	6%	0.056	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-64.5	-5.2	-170.2	-61.5	0	0	0	0	116.7	I162 S166 K167 Y323 H485	I162-S164 PolarHBondContact O-N 3.22Å; S164-S166 PolarHBondContact O-N 3.09Å; S164-K167 WeakPolarHBondContact O-CB 3.34Å; S164-K167 WeakPolarHBondContact O-CG 3.5Å; S164-K167 PolarHBondContact O-N 2.67Å; S164-K167 PolarHBondContact OG-NZ 3.29Å; S164-Y323 WeakPolarHBondContact CB-OH 3.46Å; S164-Y323 PolarHBondContact OG-OH 3.5Å; S164-H485 WeakPolarHBondContact CB-CE1 3.5Å; S164-H485 PolarHBondContact O-ND1 3.43Å
165	I	98.6	Very high	98.3	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-58.4	-25.4	165.4	-59.4	172.3	0	0	0	110.8	I162 A163 K167 S168 L169 L407 S494 L496	I162-I165 HydrophobicContact CB-CB 4.28Å; I162-I165 HydrophobicContact CB-CD1 4.44Å; I162-I165 HydrophobicContact CD1-CB 4.26Å; I162-I165 HydrophobicContact CD1-CG2 4.26Å; I162-I165 PolarHBondContact O-N 3.12Å; A163-I165 PolarHBondContact O-N 3Å; I165-K167 PolarHBondContact O-N 2.81Å; I165-S168 WeakPolarHBondContact O-CB 3.34Å; I165-S168 PolarHBondContact O-N 3.24Å; I165-L169 PolarHBondContact O-N 2.84Å; I165-L407 HydrophobicContact CD1-CD1 3.86Å; I165-L407 HydrophobicContact CG2-CD2 3.89Å; I165-S494 WeakPolarHBondContact CD1-OG 3.1Å; I165-L496 HydrophobicContact CD1-CB 3.98Å; I165-L496 HydrophobicContact CG1-CB 4.49Å; I165-L496 HydrophobicContact CG2-CB 4.43Å; I165-L496 HydrophobicContact CG2-CD2 4.41Å
166	S	98.7	Very high	98.4	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-47.5	-30.7	167.5	-55	0	0	0	0	113.9	A163 S164 L169 T170 W395 A396 G398 G399 F400	A163-S166 VanDerWaalsContact O-CB 3.26Å; A163-S166 WeakPolarHBondContact O-CB 3.27Å; A163-S166 PolarHBondContact O-N 3.35Å; A163-S166 PolarHBondContact O-OG 2.97Å; S164-S166 PolarHBondContact O-N 3.09Å; S166-L169 PolarHBondContact O-N 3.09Å; S166-T170 WeakPolarHBondContact O-CB 3.33Å; S166-T170 PolarHBondContact O-N 3.18Å; S166-T170 PolarHBondContact O-OG1 2.97Å; S166-W395 WeakPolarHBondContact CB-O 3.48Å; S166-A396 CarbonylContact C-O 3.5Å; S166-A396 VanDerWaalsContact C-O 3.27Å; S166-G398 WeakPolarHBondContact OG-CA 3.47Å; S166-G399 PolarHBondContact OG-N 2.94Å; S166-F400 WeakPolarHBondContact OG-CD2 3.5Å; S166-F400 PolarHBondContact OG-N 2.98Å
167	K	98.7	Very high	98.4	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-66.8	-43.6	177.1	-65.8	-166.9	166.9	72.9	0	111.6	S164 I165 L169 T170 M171 Y323 T325 Y328 A396 G397 A463	S164-K167 WeakPolarHBondContact O-CB 3.34Å; S164-K167 WeakPolarHBondContact O-CG 3.5Å; S164-K167 PolarHBondContact O-N 2.67Å; S164-K167 PolarHBondContact OG-NZ 3.29Å; I165-K167 PolarHBondContact O-N 2.81Å; K167-L169 VanDerWaalsContact C-N 3.34Å; K167-T170 PolarHBondContact O-N 3.19Å; K167-M171 PolarHBondContact O-N 3.35Å; K167-Y323 HydrophobicContact CD-CE2 4.26Å; K167-Y323 WeakPolarHBondContact CE-OH 3.48Å; K167-Y323 PolarHBondContact NZ-OH 3.14Å; K167-T325 PolarHBondContact NZ-OG1 3.15Å; K167-T325 VanDerWaalsContact NZ-OG1 3.15Å; K167-Y328 HydrophobicContact CB-CD1 3.78Å; K167-Y328 HydrophobicContact CB-CE1 3.36Å; K167-Y328 HydrophobicContact CD-CD1 4.02Å; K167-Y328 HydrophobicContact CD-CD2 3.81Å; K167-Y328 HydrophobicContact CD-CE1 3.96Å; K167-Y328 HydrophobicContact CD-CE2 3.78Å; K167-Y328 HydrophobicContact CD-CG 3.94Å; K167-Y328 HydrophobicContact CG-CD1 3.53Å; K167-Y328 HydrophobicContact CG-CD2 4.25Å; K167-Y328 HydrophobicContact CG-CE1 3.61Å; K167-Y328 HydrophobicContact CG-CE2 4.34Å; K167-Y328 HydrophobicContact CG-CG 3.86Å; K167-A396 WeakPolarHBondContact CA-O 3.18Å; K167-A396 PolarHBondContact N-O 3.44Å; K167-G397 PolarHBondContact NZ-O 3.21Å; K167-A463 HydrophobicContact CB-CB 4.39Å
168	S	98.6	Very high	98.4	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-66.7	-36.5	177.9	-46.3	0	0	0	0	111.5	I165 M171 V172 A463	I165-S168 WeakPolarHBondContact O-CB 3.34Å; I165-S168 PolarHBondContact O-N 3.24Å; S168-M171 WeakPolarHBondContact O-CB 3.46Å; S168-M171 PolarHBondContact O-N 3.46Å; S168-V172 PolarHBondContact O-N 3.06Å; S168-A463 PolarHBondContact OG-O 3.04Å
169	L	98.8	Very high	98.4	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.005	4%	0.04	C	C	.	.	H	α-helix	trans	-64.4	-45.9	171.8	-61.6	172.5	0	0	0	111.5	I162 I165 S166 K167 M171 V172 A173 M347 F351 M356 T359 F400 F410	I162-L169 HydrophobicContact CD1-CD1 3.57Å; I165-L169 PolarHBondContact O-N 2.84Å; S166-L169 PolarHBondContact O-N 3.09Å; K167-L169 VanDerWaalsContact C-N 3.34Å; L169-M171 VanDerWaalsContact C-N 3.26Å; L169-M171 PolarHBondContact O-N 2.88Å; L169-V172 PolarHBondContact O-N 3.15Å; L169-V172 VanDerWaalsContact O-N 3.15Å; L169-A173 PolarHBondContact O-N 2.8Å; L169-M347 HydrophobicContact CB-CE 3.91Å; L169-F351 HydrophobicContact CB-CE1 4.29Å; L169-F351 HydrophobicContact CD1-CE1 3.92Å; L169-F351 HydrophobicContact CD1-CZ 4.31Å; L169-F351 HydrophobicContact CD2-CE1 4.35Å; L169-F351 HydrophobicContact CG-CE1 4.42Å; L169-M356 HydrophobicContact CD1-CE 4.42Å; L169-M356 HydrophobicContact CD2-CE 3.79Å; L169-M356 HydrophobicContact CD2-SD 4.02Å; L169-T359 HydrophobicContact CD1-CG2 4.45Å; L169-F400 HydrophobicContact CD1-CD2 4.41Å; L169-F410 HydrophobicContact CD2-CB 4.47Å; L169-F410 HydrophobicContact CD2-CD1 3.8Å; L169-F410 HydrophobicContact CD2-CD2 3.6Å; L169-F410 HydrophobicContact CD2-CE1 3.89Å; L169-F410 HydrophobicContact CD2-CE2 3.66Å; L169-F410 HydrophobicContact CD2-CG 3.68Å; L169-F410 HydrophobicContact CD2-CZ 3.82Å
170	T	98.7	Very high	98.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.9	-33.3	175.7	-55.5	0	0	0	0	112.4	S166 K167 V172 A173 L174 Y343 A396	S166-T170 WeakPolarHBondContact O-CB 3.33Å; S166-T170 PolarHBondContact O-N 3.18Å; S166-T170 PolarHBondContact O-OG1 2.97Å; K167-T170 PolarHBondContact O-N 3.19Å; T170-V172 VanDerWaalsContact C-N 3.29Å; T170-V172 PolarHBondContact O-N 3.38Å; T170-A173 VanDerWaalsContact O-CB 3.32Å; T170-A173 WeakPolarHBondContact O-CB 3.48Å; T170-A173 PolarHBondContact O-N 3.24Å; T170-A173 VanDerWaalsContact O-N 3.14Å; T170-L174 HydrophobicContact CG2-CD1 4.27Å; T170-L174 WeakPolarHBondContact O-CG 3.21Å; T170-L174 PolarHBondContact O-N 2.98Å; T170-Y343 HydrophobicContact CG2-CE2 4.17Å; T170-Y343 PolarHBondContact OG1-OH 3.15Å; T170-A396 HydrophobicContact CG2-CB 3.95Å; T170-A396 VanDerWaalsContact OG1-CA 3.3Å; T170-A396 WeakPolarHBondContact OG1-CA 3.45Å; T170-A396 WeakPolarHBondContact OG1-CB 3.5Å; T170-A396 PolarHBondContact OG1-O 3.41Å
171	M	98.6	Very high	98.4	Very high	1 Å²	1	16 Å²	16	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-63.5	-35.8	175.7	-176.2	59.3	-138.2	0	0	112.2	K167 S168 L169 A173 L174 A175 I214 M443 M462 A463	K167-M171 PolarHBondContact O-N 3.35Å; S168-M171 WeakPolarHBondContact O-CB 3.46Å; S168-M171 PolarHBondContact O-N 3.46Å; L169-M171 VanDerWaalsContact C-N 3.26Å; L169-M171 PolarHBondContact O-N 2.88Å; M171-A173 VanDerWaalsContact C-N 3.34Å; M171-L174 HydrophobicContact CE-CB 4.49Å; M171-L174 PolarHBondContact O-N 3.39Å; M171-L174 HydrophobicContact SD-CD1 4.45Å; M171-A175 HydrophobicContact CE-CB 4.19Å; M171-A175 VanDerWaalsContact O-CB 3.28Å; M171-A175 WeakPolarHBondContact O-CB 3.48Å; M171-A175 PolarHBondContact O-N 3.37Å; M171-I214 HydrophobicContact CE-CD1 4.13Å; M171-I214 HydrophobicContact SD-CB 4.37Å; M171-I214 HydrophobicContact SD-CD1 3.7Å; M171-I214 HydrophobicContact SD-CG1 3.9Å; M171-I214 HydrophobicContact SD-CG2 3.5Å; M171-I214 VanDerWaalsContact SD-CG2 3.5Å; M171-M443 HydrophobicContact CE-CG 3.94Å; M171-M443 HydrophobicContact CE-SD 4.17Å; M171-M443 HydrophobicContact CG-CE 3.8Å; M171-M443 HydrophobicContact CG-CG 4.27Å; M171-M443 HydrophobicContact CG-SD 4.16Å; M171-M462 HydrophobicContact CE-CB 4.32Å; M171-M462 HydrophobicContact CE-SD 3.86Å; M171-M462 HydrophobicContact CG-CB 4.31Å; M171-M462 HydrophobicContact SD-CB 3.99Å; M171-A463 HydrophobicContact CB-CB 3.48Å; M171-A463 VanDerWaalsContact CB-CB 3.48Å; M171-A463 HydrophobicContact CG-CB 3.93Å
172	V	98.6	Very high	98.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.4	-40	172.4	174.3	0	0	0	0	111.2	S168 L169 T170 L174 A175 K176 I350 F410 M414 Y434 L435 M443	S168-V172 PolarHBondContact O-N 3.06Å; L169-V172 PolarHBondContact O-N 3.15Å; L169-V172 VanDerWaalsContact O-N 3.15Å; T170-V172 VanDerWaalsContact C-N 3.29Å; T170-V172 PolarHBondContact O-N 3.38Å; V172-L174 PolarHBondContact O-N 3.43Å; V172-A175 PolarHBondContact O-N 3.17Å; V172-K176 HydrophobicContact CG1-CG 4.29Å; V172-K176 WeakPolarHBondContact O-CG 3.45Å; V172-K176 PolarHBondContact O-N 2.74Å; V172-I350 HydrophobicContact CG1-CG2 4.29Å; V172-F410 HydrophobicContact CG2-CE2 3.72Å; V172-F410 HydrophobicContact CG2-CZ 4.18Å; V172-M414 HydrophobicContact CG2-CE 3.8Å; V172-M414 HydrophobicContact CG2-SD 3.57Å; V172-M414 VanDerWaalsContact CG2-SD 3.57Å; V172-Y434 HydrophobicContact CG1-CD1 3.91Å; V172-Y434 HydrophobicContact CG1-CE1 3.57Å; V172-L435 HydrophobicContact CB-CD1 4.44Å; V172-L435 HydrophobicContact CG1-CD1 4.2Å; V172-L435 HydrophobicContact CG1-CG 4.48Å; V172-L435 HydrophobicContact CG2-CD1 3.97Å; V172-M443 HydrophobicContact CG2-CE 4.3Å
173	A	98.6	Very high	98.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.2	-46.3	174	0	0	0	0	0	112.6	L169 T170 M171 K176 L177 V335 Y346 M347 I350	L169-A173 PolarHBondContact O-N 2.8Å; T170-A173 VanDerWaalsContact O-CB 3.32Å; T170-A173 WeakPolarHBondContact O-CB 3.48Å; T170-A173 PolarHBondContact O-N 3.24Å; T170-A173 VanDerWaalsContact O-N 3.14Å; M171-A173 VanDerWaalsContact C-N 3.34Å; A173-K176 PolarHBondContact O-N 2.9Å; A173-L177 WeakPolarHBondContact O-CG 3.31Å; A173-L177 PolarHBondContact O-N 3.37Å; A173-V335 HydrophobicContact CB-CG1 4.4Å; A173-V335 HydrophobicContact CB-CG2 4.27Å; A173-Y346 HydrophobicContact CB-CD1 4.02Å; A173-Y346 HydrophobicContact CB-CE1 3.85Å; A173-M347 HydrophobicContact CB-SD 3.67Å; A173-I350 VanDerWaalsContact CA-CD1 3.43Å; A173-I350 HydrophobicContact CB-CD1 3.37Å
174	L	98.8	Very high	98.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.6	-42.7	175.6	-67.1	160.7	0	0	0	111.5	T170 M171 V172 L177 W178 L183 T210 I214 L331 I334 V335	T170-L174 HydrophobicContact CG2-CD1 4.27Å; T170-L174 WeakPolarHBondContact O-CG 3.21Å; T170-L174 PolarHBondContact O-N 2.98Å; M171-L174 HydrophobicContact CE-CB 4.49Å; M171-L174 PolarHBondContact O-N 3.39Å; M171-L174 HydrophobicContact SD-CD1 4.45Å; V172-L174 PolarHBondContact O-N 3.43Å; L174-L177 PolarHBondContact O-N 3.43Å; L174-W178 WeakPolarHBondContact O-CB 3.36Å; L174-W178 PolarHBondContact O-N 3.49Å; L174-L183 HydrophobicContact CB-CD2 3.99Å; L174-L183 HydrophobicContact CD2-CD2 3.71Å; L174-L183 HydrophobicContact CG-CD2 4.49Å; L174-L183 WeakPolarHBondContact O-CD2 3.36Å; L174-T210 HydrophobicContact CD2-CG2 4.06Å; L174-I214 HydrophobicContact CD1-CD1 4.02Å; L174-I214 HydrophobicContact CD1-CG1 3.86Å; L174-L331 HydrophobicContact CD1-CB 4.17Å; L174-L331 HydrophobicContact CD1-CD1 3.93Å; L174-L331 HydrophobicContact CD1-CD2 3.81Å; L174-L331 HydrophobicContact CD1-CG 4.18Å; L174-L331 HydrophobicContact CD2-CD2 4.19Å; L174-I334 HydrophobicContact CD2-CG2 4.36Å; L174-V335 HydrophobicContact CD2-CG2 3.56Å; L174-V335 HydrophobicContact CG-CG2 3.85Å
175	A	98.7	Very high	98.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.1	-42.9	178.3	0	0	0	0	0	112.3	M171 V172 L177 W178 E179 L435 T439 M443	M171-A175 HydrophobicContact CE-CB 4.19Å; M171-A175 VanDerWaalsContact O-CB 3.28Å; M171-A175 WeakPolarHBondContact O-CB 3.48Å; M171-A175 PolarHBondContact O-N 3.37Å; V172-A175 PolarHBondContact O-N 3.17Å; A175-L177 VanDerWaalsContact C-N 3.32Å; A175-L177 PolarHBondContact O-N 3.39Å; A175-W178 PolarHBondContact O-N 3.22Å; A175-E179 WeakPolarHBondContact O-CB 3.16Å; A175-E179 WeakPolarHBondContact O-CG 3.39Å; A175-E179 PolarHBondContact O-N 2.89Å; A175-L435 HydrophobicContact CB-CD1 3.88Å; A175-L435 HydrophobicContact CB-CD2 3.66Å; A175-L435 HydrophobicContact CB-CG 4.45Å; A175-T439 HydrophobicContact CB-CG2 3.88Å; A175-M443 HydrophobicContact CB-SD 3.87Å
176	K	98.6	Very high	98.5	Very high	58 Å²	58	28.2 Å²	28.2	25%	0.252	16%	0.162	S	C	.	.	H	α-helix	trans	-62.3	-37.9	174.9	-65.2	-61.9	-76.5	179.6	0	112.3	V172 A173 A180 Y434 L435	V172-K176 HydrophobicContact CG1-CG 4.29Å; V172-K176 WeakPolarHBondContact O-CG 3.45Å; V172-K176 PolarHBondContact O-N 2.74Å; A173-K176 PolarHBondContact O-N 2.9Å; K176-A180 VanDerWaalsContact O-CB 3.3Å; K176-A180 WeakPolarHBondContact O-CB 3.42Å; K176-A180 PolarHBondContact O-N 2.79Å; K176-Y434 HydrophobicContact CD-CD1 4.27Å; K176-Y434 HydrophobicContact CD-CE1 3.87Å; K176-Y434 WeakPolarHBondContact CD-O 3.36Å; K176-Y434 HydrophobicContact CG-CE1 4.1Å; K176-Y434 PolarHBondContact NZ-O 3.18Å; K176-L435 HydrophobicContact CD-CD2 3.45Å; K176-L435 VanDerWaalsContact CD-CD2 3.45Å; K176-L435 HydrophobicContact CD-CG 4.42Å; K176-L435 HydrophobicContact CG-CD2 4Å
177	L	98.7	Very high	98.4	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-70.5	-37.5	175.8	-66.6	169.2	0	0	0	112.2	A173 L174 A175 A180 G181 K182 L183 V335 A338 Y346	A173-L177 WeakPolarHBondContact O-CG 3.31Å; A173-L177 PolarHBondContact O-N 3.37Å; L174-L177 PolarHBondContact O-N 3.43Å; A175-L177 VanDerWaalsContact C-N 3.32Å; A175-L177 PolarHBondContact O-N 3.39Å; L177-A180 PolarHBondContact O-N 3.09Å; L177-G181 PolarHBondContact O-N 3.11Å; L177-K182 HydrophobicContact CB-CB 4.46Å; L177-K182 HydrophobicContact CD2-CB 4.23Å; L177-K182 HydrophobicContact CD2-CD 4.07Å; L177-K182 PolarHBondContact O-N 3.15Å; L177-L183 HydrophobicContact CB-CB 3.78Å; L177-L183 HydrophobicContact CB-CD2 4.39Å; L177-L183 PolarHBondContact O-N 3.1Å; L177-V335 HydrophobicContact CD1-CB 4.39Å; L177-V335 HydrophobicContact CD1-CG1 4.22Å; L177-V335 HydrophobicContact CD1-CG2 4.28Å; L177-A338 HydrophobicContact CD1-CB 4.14Å; L177-Y346 HydrophobicContact CD1-CE1 4.03Å; L177-Y346 HydrophobicContact CD2-CE1 4.32Å; L177-Y346 HydrophobicContact CD2-CE2 4.49Å; L177-Y346 WeakPolarHBondContact CD2-OH 3.44Å; L177-Y346 HydrophobicContact CG-CE1 4.02Å
178	W	98.5	Very high	98.4	Very high	72 Å²	72	33 Å²	33	27%	0.273	19%	0.191	S	C	.	.	H	α-helix	trans	-67.1	-46.8	175.5	177.5	48.1	0	0	0	112	L174 A175 A180 G181 L183 L185 T439 M442	L174-W178 WeakPolarHBondContact O-CB 3.36Å; L174-W178 PolarHBondContact O-N 3.49Å; A175-W178 PolarHBondContact O-N 3.22Å; W178-A180 PolarHBondContact O-N 2.83Å; W178-G181 PolarHBondContact O-N 2.74Å; W178-L183 WeakPolarHBondContact CA-O 3.35Å; W178-L183 HydrophobicContact CB-CB 4.48Å; W178-L183 HydrophobicContact CB-CD2 4.41Å; W178-L183 VanDerWaalsContact CD1-O 3.29Å; W178-L185 HydrophobicContact CD2-CD1 3.83Å; W178-L185 HydrophobicContact CD2-CG 4.27Å; W178-L185 HydrophobicContact CE3-CD1 4.11Å; W178-L185 HydrophobicContact CG-CD1 4.15Å; W178-L185 HydrophobicContact CG-CG 4.07Å; W178-T439 HydrophobicContact CE3-CG2 4.22Å; W178-T439 HydrophobicContact CZ3-CG2 4Å; W178-M442 HydrophobicContact CH2-CE 3.47Å; W178-M442 VanDerWaalsContact CH2-CE 3.47Å; W178-M442 HydrophobicContact CH2-SD 3.57Å; W178-M442 VanDerWaalsContact CH2-SD 3.57Å; W178-M442 HydrophobicContact CZ2-CE 4.09Å; W178-M442 HydrophobicContact CZ2-SD 4.28Å; W178-M442 HydrophobicContact CZ3-CE 4.35Å; W178-M442 HydrophobicContact CZ3-SD 3.95Å
179	E	98.3	Very high	98.4	Very high	40 Å²	40	33 Å²	33	19%	0.187	19%	0.191	C	C	.	.	H	α-helix	trans	-61.2	-27.6	175.7	-75.3	-175.4	168.9	0	0	113.9	A175 K436 T439	A175-E179 WeakPolarHBondContact O-CB 3.16Å; A175-E179 WeakPolarHBondContact O-CG 3.39Å; A175-E179 PolarHBondContact O-N 2.89Å; E179-K436 HydrophobicContact CG-CD 4.17Å; E179-K436 WeakPolarHBondContact OE1-CB 3.43Å; E179-K436 WeakPolarHBondContact OE1-CG 3.25Å; E179-K436 PolarHBondContact OE1-N 2.73Å; E179-T439 HydrophobicContact CG-CG2 4.44Å; E179-T439 WeakPolarHBondContact OE1-CB 3.43Å; E179-T439 WeakPolarHBondContact OE1-CG2 3.36Å; E179-T439 PolarHBondContact OE1-OG1 2.87Å
180	A	98.1	Very high	98.3	Very high	68 Å²	68	34.9 Å²	34.9	56%	0.562	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	2.2	175.8	0	0	0	0	0	113.8	K176 L177 W178 K182	K176-A180 VanDerWaalsContact O-CB 3.3Å; K176-A180 WeakPolarHBondContact O-CB 3.42Å; K176-A180 PolarHBondContact O-N 2.79Å; L177-A180 PolarHBondContact O-N 3.09Å; W178-A180 PolarHBondContact O-N 2.83Å; A180-K182 HydrophobicContact CB-CG 4.37Å; A180-K182 PolarHBondContact O-N 3.25Å
181	G	98	Very high	98.3	Very high	71 Å²	71	41.2 Å²	41.2	73%	0.732	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.7	14	-178.8	0	0	0	0	0	115	L177 W178	L177-G181 PolarHBondContact O-N 3.11Å; W178-G181 PolarHBondContact O-N 2.74Å
182	K	98.3	Very high	98.3	Very high	117 Å²	117	42.3 Å²	42.3	51%	0.509	23%	0.233	S	C	.	.	S	Bend	trans	-88.8	-16.7	178.7	-66.5	-171.5	171	-166.9	0	113.6	L177 A180	L177-K182 HydrophobicContact CB-CB 4.46Å; L177-K182 HydrophobicContact CD2-CB 4.23Å; L177-K182 HydrophobicContact CD2-CD 4.07Å; L177-K182 PolarHBondContact O-N 3.15Å; A180-K182 HydrophobicContact CB-CG 4.37Å; A180-K182 PolarHBondContact O-N 3.25Å
183	L	98.3	Very high	98.2	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.031	23%	0.233	C	C	.	.			trans	-131.5	134.1	-179.5	-177.9	78.3	0	0	0	108.3	L174 L177 W178 L185 Y192 T210 I334 A338	L174-L183 HydrophobicContact CB-CD2 3.99Å; L174-L183 HydrophobicContact CD2-CD2 3.71Å; L174-L183 HydrophobicContact CG-CD2 4.49Å; L174-L183 WeakPolarHBondContact O-CD2 3.36Å; L177-L183 HydrophobicContact CB-CB 3.78Å; L177-L183 HydrophobicContact CB-CD2 4.39Å; L177-L183 PolarHBondContact O-N 3.1Å; W178-L183 WeakPolarHBondContact CA-O 3.35Å; W178-L183 HydrophobicContact CB-CB 4.48Å; W178-L183 HydrophobicContact CB-CD2 4.41Å; W178-L183 VanDerWaalsContact CD1-O 3.29Å; L183-L185 HydrophobicContact CD2-CD2 3.74Å; L183-L185 HydrophobicContact CG-CD2 4.34Å; L183-Y192 HydrophobicContact CD1-CD2 4.3Å; L183-Y192 HydrophobicContact CD1-CE1 4.15Å; L183-Y192 HydrophobicContact CD1-CE2 3.85Å; L183-T210 HydrophobicContact CD1-CG2 4.44Å; L183-T210 HydrophobicContact CD2-CG2 4.33Å; L183-I334 HydrophobicContact CD1-CG2 3.43Å; L183-I334 VanDerWaalsContact CD1-CG2 3.43Å; L183-A338 HydrophobicContact CD1-CB 4.19Å
184	D	98.1	Very high	98.1	Very high	70 Å²	70	46.7 Å²	46.7	37%	0.374	26%	0.261	S	S	.	.			trans	-107.4	135.5	163.2	-172.8	-31.8	0	0	0	107.1	D186 I187 Y192	D184-D186 PolarHBondContact OD1-N 3.43Å; D184-I187 HydrophobicContact CB-CD1 4.08Å; D184-I187 HydrophobicContact CB-CG1 4.06Å; D184-I187 HydrophobicContact CB-CG2 4.16Å; D184-Y192 PolarHBondContact N-OH 2.89Å
185	L	98	Very high	98	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	28%	0.275	C	S	.	.	S	Bend	trans	-81.8	-19.3	-176	-62.4	179.6	0	0	0	112.9	W178 L183 T209 T210 R211 I214 M462	W178-L185 HydrophobicContact CD2-CD1 3.83Å; W178-L185 HydrophobicContact CD2-CG 4.27Å; W178-L185 HydrophobicContact CE3-CD1 4.11Å; W178-L185 HydrophobicContact CG-CD1 4.15Å; W178-L185 HydrophobicContact CG-CG 4.07Å; L183-L185 HydrophobicContact CD2-CD2 3.74Å; L183-L185 HydrophobicContact CG-CD2 4.34Å; L185-T209 WeakPolarHBondContact O-CB 3.47Å; L185-T209 PolarHBondContact O-OG1 3.4Å; L185-T210 HydrophobicContact CD2-CG2 3.99Å; L185-T210 PolarHBondContact O-N 3.14Å; L185-R211 HydrophobicContact CB-CB 4.22Å; L185-R211 WeakPolarHBondContact O-CB 3.32Å; L185-R211 PolarHBondContact O-N 3.13Å; L185-I214 HydrophobicContact CD2-CD1 3.97Å; L185-M462 HydrophobicContact CD1-CE 4.39Å
186	D	97.9	Very high	97.9	Very high	85 Å²	85	49.6 Å²	49.6	46%	0.455	28%	0.275	S	S	.	.	S	Bend	trans	-113.5	-3.9	-165.5	-67.5	-58.4	0	0	0	114.7	D184 T209 R211	D184-D186 PolarHBondContact OD1-N 3.43Å; D186-T209 VanDerWaalsContact O-CG2 3.25Å; D186-T209 WeakPolarHBondContact O-CG2 3.36Å; D186-R211 VanDerWaalsContact CG-NE 3.31Å; D186-R211 WeakPolarHBondContact OD1-CD 3.15Å; D186-R211 IonicContact OD1-CZ 3.29Å; D186-R211 IonicContact OD1-NE 3.11Å; D186-R211 PolarHBondContact OD1-NE 2.97Å; D186-R211 IonicContact OD1-NH2 2.67Å; D186-R211 IonicContact OD2-CZ 3.86Å; D186-R211 VanDerWaalsContact OD2-CZ 3.29Å; D186-R211 IonicContact OD2-NE 3.84Å; D186-R211 PolarHBondContact OD2-NE 3.35Å; D186-R211 VanDerWaalsContact OD2-NE 3.11Å; D186-R211 IonicContact OD2-NH2 3.71Å; D186-R211 PolarHBondContact OD2-NH2 3.1Å
187	I	97.9	Very high	97.8	Very high	43 Å²	43	49 Å²	49	22%	0.221	28%	0.277	C	S	.	.	S	Bend	trans	-80.8	160.1	170	69.3	176.8	0	0	0	112	D184 H191 Y192 T209	D184-I187 HydrophobicContact CB-CD1 4.08Å; D184-I187 HydrophobicContact CB-CG1 4.06Å; D184-I187 HydrophobicContact CB-CG2 4.16Å; I187-H191 HydrophobicContact CD1-CB 3.7Å; I187-H191 VanDerWaalsContact CD1-CD2 3.41Å; I187-H191 WeakPolarHBondContact CD1-CD2 3.27Å; I187-H191 VanDerWaalsContact CD1-CG 3.43Å; I187-H191 HydrophobicContact CG1-CB 4.27Å; I187-Y192 HydrophobicContact CD1-CE2 3.77Å; I187-Y192 WeakPolarHBondContact CD1-OH 3.18Å; I187-Y192 HydrophobicContact CG1-CE2 3.84Å; I187-T209 WeakPolarHBondContact O-CA 3.49Å; I187-T209 WeakPolarHBondContact O-CB 3.33Å
188	P	98.3	Very high	97.7	Very high	58 Å²	58	55.1 Å²	55.1	38%	0.377	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-59.2	138.3	176.4	-21.7	32.6	0	0	0	112.4	Q190 H191 S207 V208	P188-Q190 PolarHBondContact O-N 2.98Å; P188-H191 VanDerWaalsContact O-CB 3.32Å; P188-H191 WeakPolarHBondContact O-CB 3.25Å; P188-H191 PolarHBondContact O-N 3.14Å; P188-S207 WeakPolarHBondContact CB-OG 3.44Å; P188-S207 WeakPolarHBondContact CG-OG 3.02Å; P188-V208 WeakPolarHBondContact CA-O 3.35Å
189	V	98.2	Very high	97.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-57.2	-25.6	179.6	-66.8	0	0	0	0	113.5	H191 Y192 V193 F196 V208 L213 L330 I334	V189-H191 PolarHBondContact O-N 3.35Å; V189-Y192 PolarHBondContact O-N 3.35Å; V189-Y192 VanDerWaalsContact O-N 3.08Å; V189-V193 PolarHBondContact O-N 3.43Å; V189-F196 HydrophobicContact CG2-CD1 3.93Å; V189-F196 HydrophobicContact CG2-CE1 4.4Å; V189-V208 HydrophobicContact CG1-CG1 4.24Å; V189-V208 WeakPolarHBondContact CG1-O 3.45Å; V189-V208 HydrophobicContact CG2-CB 4.29Å; V189-V208 PolarHBondContact N-O 3.33Å; V189-L213 HydrophobicContact CG1-CD1 3.67Å; V189-L213 HydrophobicContact CG1-CG 4.38Å; V189-L330 HydrophobicContact CB-CD2 4.38Å; V189-L330 HydrophobicContact CG1-CD2 4.48Å; V189-L330 HydrophobicContact CG2-CD2 4.15Å; V189-I334 HydrophobicContact CB-CD1 4.13Å; V189-I334 HydrophobicContact CG1-CD1 3.79Å
190	Q	97.9	Very high	97.4	Very high	40 Å²	40	56.3 Å²	56.3	19%	0.187	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-59.4	-23.2	174.8	-70	76.2	11.9	0	0	113.5	P188 Y192 F196 P197	P188-Q190 PolarHBondContact O-N 2.98Å; Q190-Y192 VanDerWaalsContact C-N 3.27Å; Q190-Y192 PolarHBondContact O-N 3.15Å; Q190-F196 WeakPolarHBondContact CG-O 3.42Å; Q190-P197 PolarHBondContact NE2-O 3.37Å
191	H	97.9	Very high	97.3	Very high	133 Å²	133	54.6 Å²	54.6	62%	0.616	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-62.6	-35.7	174.1	-176.6	88.7	0	0	0	112.1	I187 P188 V189	I187-H191 HydrophobicContact CD1-CB 3.7Å; I187-H191 VanDerWaalsContact CD1-CD2 3.41Å; I187-H191 WeakPolarHBondContact CD1-CD2 3.27Å; I187-H191 VanDerWaalsContact CD1-CG 3.43Å; I187-H191 HydrophobicContact CG1-CB 4.27Å; P188-H191 VanDerWaalsContact O-CB 3.32Å; P188-H191 WeakPolarHBondContact O-CB 3.25Å; P188-H191 PolarHBondContact O-N 3.14Å; V189-H191 PolarHBondContact O-N 3.35Å
192	Y	97.7	Very high	97.1	Very high	23 Å²	23	58.9 Å²	58.9	9%	0.09	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-41.8	177.7	-58.6	-70.7	0	0	0	111.9	L183 D184 I187 V189 Q190 P194 I334 R337 A338	L183-Y192 HydrophobicContact CD1-CD2 4.3Å; L183-Y192 HydrophobicContact CD1-CE1 4.15Å; L183-Y192 HydrophobicContact CD1-CE2 3.85Å; D184-Y192 PolarHBondContact N-OH 2.89Å; I187-Y192 HydrophobicContact CD1-CE2 3.77Å; I187-Y192 WeakPolarHBondContact CD1-OH 3.18Å; I187-Y192 HydrophobicContact CG1-CE2 3.84Å; V189-Y192 PolarHBondContact O-N 3.35Å; V189-Y192 VanDerWaalsContact O-N 3.08Å; Q190-Y192 VanDerWaalsContact C-N 3.27Å; Q190-Y192 PolarHBondContact O-N 3.15Å; Y192-P194 WeakPolarHBondContact O-CD 3.28Å; Y192-I334 HydrophobicContact CD2-CG2 4Å; Y192-I334 HydrophobicContact CG-CG2 4.02Å; Y192-R337 VanDerWaalsContact O-CB 3.31Å; Y192-R337 WeakPolarHBondContact O-CB 3.34Å; Y192-R337 WeakPolarHBondContact O-CD 3.49Å; Y192-R337 WeakPolarHBondContact O-CG 3.46Å; Y192-A338 HydrophobicContact CD1-CB 4.03Å; Y192-A338 HydrophobicContact CE1-CB 4.12Å
193	V	97.7	Very high	96.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.303	C	S	.	.			trans	-125.4	77.3	-171.6	-172.6	0	0	0	0	109.5	V189 E195 F196 L305 L330 A333 I334 R337	V189-V193 PolarHBondContact O-N 3.43Å; V193-E195 PolarHBondContact O-N 2.85Å; V193-E195 VanDerWaalsContact O-N 3.13Å; V193-F196 HydrophobicContact CG1-CB 4.16Å; V193-F196 PolarHBondContact O-N 3.26Å; V193-F196 VanDerWaalsContact O-N 3.09Å; V193-L305 HydrophobicContact CG1-CD1 3.54Å; V193-L330 HydrophobicContact CB-CD1 4.08Å; V193-L330 HydrophobicContact CG1-CD1 3.97Å; V193-L330 HydrophobicContact CG2-CD1 4.13Å; V193-A333 HydrophobicContact CG1-CB 4.38Å; V193-A333 HydrophobicContact CG2-CB 3.87Å; V193-I334 HydrophobicContact CG2-CG1 3.71Å; V193-R337 HydrophobicContact CG2-CG 4.33Å
194	P	96.9	Very high	96.6	Very high	93 Å²	93	61.5 Å²	61.5	60%	0.604	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-15	-179.9	27	-36.1	0	0	0	113.4	Y192 F196	Y192-P194 WeakPolarHBondContact O-CD 3.28Å; P194-F196 PolarHBondContact O-N 2.96Å
195	E	95.1	Very high	96.5	Very high	60 Å²	60	65 Å²	65	28%	0.28	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-13.5	175	-53.8	91.5	152.7	0	0	113.8	V193 I302 K309 R337	V193-E195 PolarHBondContact O-N 2.85Å; V193-E195 VanDerWaalsContact O-N 3.13Å; E195-I302 HydrophobicContact CB-CG2 4.47Å; E195-I302 HydrophobicContact CG-CG2 4.21Å; E195-K309 WeakPolarHBondContact O-CD 3.49Å; E195-K309 PolarHBondContact O-NZ 3.5Å; E195-R337 IonicContact OE1-CZ 3.98Å; E195-R337 IonicContact OE1-NE 2.65Å; E195-R337 IonicContact OE1-NH2 2.67Å; E195-R337 PolarHBondContact OE1-NH2 2.87Å
196	F	97.4	Very high	96.5	Very high	1 Å²	1	65.9 Å²	65.9	0%	0.004	34%	0.343	C	S	.	.	S	Bend	trans	-88.3	115.9	172.1	-167.9	-94.9	0	0	0	108.9	V189 Q190 V193 P194 K199 I220 F308 K309 L330	V189-F196 HydrophobicContact CG2-CD1 3.93Å; V189-F196 HydrophobicContact CG2-CE1 4.4Å; Q190-F196 WeakPolarHBondContact CG-O 3.42Å; V193-F196 HydrophobicContact CG1-CB 4.16Å; V193-F196 PolarHBondContact O-N 3.26Å; V193-F196 VanDerWaalsContact O-N 3.09Å; P194-F196 PolarHBondContact O-N 2.96Å; F196-K199 HydrophobicContact CE1-CG 4.18Å; F196-I220 HydrophobicContact CE2-CD1 4.42Å; F196-I220 HydrophobicContact CZ-CD1 3.79Å; F196-F308 HydrophobicContact CE2-CD2 4.16Å; F196-F308 AromaticContact CE2-CE2 3.68Å; F196-F308 HydrophobicContact CE2-CE2 3.68Å; F196-F308 HydrophobicContact CZ-CE2 4.47Å; F196-K309 HydrophobicContact CD2-CB 3.77Å; F196-K309 HydrophobicContact CE2-CB 4Å; F196-L330 HydrophobicContact CB-CD1 4.16Å; F196-L330 HydrophobicContact CD1-CD2 3.99Å; F196-L330 HydrophobicContact CD2-CD1 4.07Å; F196-L330 HydrophobicContact CD2-CD2 3.79Å; F196-L330 HydrophobicContact CE1-CD2 4.01Å; F196-L330 HydrophobicContact CE2-CD2 3.82Å; F196-L330 HydrophobicContact CG-CD1 4.15Å; F196-L330 HydrophobicContact CG-CD2 3.88Å; F196-L330 HydrophobicContact CZ-CD2 3.93Å
197	P	96.8	Very high	96.4	Very high	44 Å²	44	64.5 Å²	64.5	29%	0.286	34%	0.34	S	S	.	.			trans	-65.7	156.8	-170.4	28.2	-35.1	0	0	0	112	Q190 K309	Q190-P197 PolarHBondContact NE2-O 3.37Å; P197-K309 WeakPolarHBondContact CD-O 3.38Å; P197-K309 WeakPolarHBondContact CG-O 3.47Å
198	E	96	Very high	96.4	Very high	132 Å²	132	62.5 Å²	62.5	62%	0.617	33%	0.33	S	S	*	.			trans	-53.7	149.3	162.3	-66.9	-169.7	155.3	0	0	110	K205	E198-K205 IonicContact OE2-NZ 3.22Å; E198-K205 PolarHBondContact OE2-NZ 3.31Å
199	K	96.4	Very high	96.4	Very high	15 Å²	15	60.5 Å²	60.5	7%	0.065	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	145.1	-177.3	-67.5	-61.4	-176.7	179.4	0	111.1	F196 V206 K309 D311 L313	F196-K199 HydrophobicContact CE1-CG 4.18Å; K199-V206 HydrophobicContact CB-CG2 4Å; K199-V206 PolarHBondContact O-N 3.28Å; K199-K309 PolarHBondContact NZ-O 3.44Å; K199-D311 PolarHBondContact NZ-O 2.98Å; K199-L313 HydrophobicContact CB-CD1 3.74Å; K199-L313 HydrophobicContact CB-CG 4.18Å; K199-L313 HydrophobicContact CD-CD2 4.3Å; K199-L313 HydrophobicContact CD-CG 4.22Å; K199-L313 HydrophobicContact CG-CD1 4.06Å; K199-L313 HydrophobicContact CG-CD2 4.24Å; K199-L313 HydrophobicContact CG-CG 4.14Å
200	E	95.4	Very high	96.4	Very high	122 Å²	122	60.5 Å²	60.5	57%	0.57	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	145.5	170.5	-67.4	178.6	179.1	0	0	109	E204 K205	E200-E204 CarbonylContact C-O 3.54Å; E200-E204 WeakPolarHBondContact CA-O 3.37Å; E200-K205 HydrophobicContact CG-CG 4.14Å
201	Y	94.9	Very high	96.4	Very high	32 Å²	32	61.7 Å²	61.7	13%	0.125	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	122.8	173.1	-175.9	-89.7	0	0	0	108	G203 E204 L313 K316	Y201-G203 PolarHBondContact O-N 3.27Å; Y201-G203 VanDerWaalsContact O-N 3.15Å; Y201-E204 PolarHBondContact N-O 3.4Å; Y201-E204 PolarHBondContact O-N 3.09Å; Y201-E204 VanDerWaalsContact O-N 3.08Å; Y201-L313 HydrophobicContact CD2-CB 4.32Å; Y201-K316 HydrophobicContact CD1-CB 3.72Å; Y201-K316 HydrophobicContact CD1-CD 4.45Å; Y201-K316 HydrophobicContact CD1-CG 4.34Å; Y201-K316 HydrophobicContact CE1-CB 4Å; Y201-K316 HydrophobicContact CG-CB 4.19Å
202	E	93.4	Very high	96.5	Very high	162 Å²	162	57 Å²	57	76%	0.757	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	29.9	-176.8	-69.3	167.7	-167.8	0	0	114.1
203	G	92.4	Very high	96.5	Very high	67 Å²	67	56 Å²	56	69%	0.691	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	-4	179.4	0	0	0	0	0	115	Y201	Y201-G203 PolarHBondContact O-N 3.27Å; Y201-G203 VanDerWaalsContact O-N 3.15Å
204	E	94.9	Very high	96.5	Very high	111 Å²	111	56 Å²	56	52%	0.519	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	137.6	173.3	-62.2	-174.7	154.2	0	0	111.1	E200 Y201 V206 K316	E200-E204 CarbonylContact C-O 3.54Å; E200-E204 WeakPolarHBondContact CA-O 3.37Å; Y201-E204 PolarHBondContact N-O 3.4Å; Y201-E204 PolarHBondContact O-N 3.09Å; Y201-E204 VanDerWaalsContact O-N 3.08Å; E204-V206 PolarHBondContact O-N 3.06Å; E204-K316 IonicContact OE2-NZ 2.73Å; E204-K316 PolarHBondContact OE2-NZ 2.89Å
205	K	96	Very high	96.5	Very high	142 Å²	142	51.6 Å²	51.6	62%	0.617	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.9	131.3	166.5	-71.8	-163.9	174.9	-160.7	0	110.5	E198 E200	E198-K205 IonicContact OE2-NZ 3.22Å; E198-K205 PolarHBondContact OE2-NZ 3.31Å; E200-K205 HydrophobicContact CG-CG 4.14Å
206	V	97.2	Very high	96.7	Very high	20 Å²	20	48.8 Å²	48.8	12%	0.121	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	140.4	-179.8	-65.6	0	0	0	0	111.1	K199 E204 L313 K316 P317	K199-V206 HydrophobicContact CB-CG2 4Å; K199-V206 PolarHBondContact O-N 3.28Å; E204-V206 PolarHBondContact O-N 3.06Å; V206-L313 HydrophobicContact CG2-CD1 3.81Å; V206-K316 HydrophobicContact CG1-CG 4.28Å; V206-P317 HydrophobicContact CB-CG 4.14Å; V206-P317 HydrophobicContact CG2-CG 4.03Å
207	S	96.1	Very high	96.7	Very high	57 Å²	57	49.2 Å²	49.2	40%	0.399	26%	0.256	S	S	.	.			trans	-92.9	142.5	176.1	-174.9	0	0	0	0	111.3	P188 P317	P188-S207 WeakPolarHBondContact CB-OG 3.44Å; P188-S207 WeakPolarHBondContact CG-OG 3.02Å; S207-P317 WeakPolarHBondContact O-CB 3.49Å; S207-P317 WeakPolarHBondContact O-CG 3.45Å
208	V	97.9	Very high	96.7	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	24%	0.242	C	C	.	.			trans	-109.4	134.2	164.5	176.1	0	0	0	0	106.9	P188 V189 L213 L313 P317	P188-V208 WeakPolarHBondContact CA-O 3.35Å; V189-V208 HydrophobicContact CG1-CG1 4.24Å; V189-V208 WeakPolarHBondContact CG1-O 3.45Å; V189-V208 HydrophobicContact CG2-CB 4.29Å; V189-V208 PolarHBondContact N-O 3.33Å; V208-L213 HydrophobicContact CG1-CD2 3.82Å; V208-L213 HydrophobicContact CG1-CG 3.94Å; V208-L313 HydrophobicContact CG2-CD1 4.22Å; V208-P317 HydrophobicContact CG2-CB 4.45Å; V208-P317 HydrophobicContact CG2-CG 3.9Å
209	T	98.6	Very high	96.7	Very high	16 Å²	16	40.9 Å²	40.9	10%	0.098	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-115.1	162.8	178.4	73	0	0	0	0	110.7	L185 D186 I187 R211 L212 L213	L185-T209 WeakPolarHBondContact O-CB 3.47Å; L185-T209 PolarHBondContact O-OG1 3.4Å; D186-T209 VanDerWaalsContact O-CG2 3.25Å; D186-T209 WeakPolarHBondContact O-CG2 3.36Å; I187-T209 WeakPolarHBondContact O-CA 3.49Å; I187-T209 WeakPolarHBondContact O-CB 3.33Å; T209-R211 VanDerWaalsContact C-N 3.27Å; T209-R211 PolarHBondContact O-N 3.04Å; T209-L212 HydrophobicContact CG2-CD1 4.45Å; T209-L212 PolarHBondContact O-N 3.49Å; T209-L212 VanDerWaalsContact O-N 3.12Å; T209-L212 WeakPolarHBondContact OG1-CG 3.3Å; T209-L212 PolarHBondContact OG1-N 3.04Å; T209-L213 PolarHBondContact O-N 3.02Å; T209-L213 VanDerWaalsContact O-N 3.09Å
210	T	98.4	Very high	96.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-56.8	-41.3	176.6	-45.2	0	0	0	0	111.4	L174 L183 L185 L212 L213 I214 L331 I334	L174-T210 HydrophobicContact CD2-CG2 4.06Å; L183-T210 HydrophobicContact CD1-CG2 4.44Å; L183-T210 HydrophobicContact CD2-CG2 4.33Å; L185-T210 HydrophobicContact CD2-CG2 3.99Å; L185-T210 PolarHBondContact O-N 3.14Å; T210-L212 VanDerWaalsContact C-N 3.32Å; T210-L212 PolarHBondContact O-N 2.8Å; T210-L213 WeakPolarHBondContact O-CB 3.49Å; T210-L213 PolarHBondContact O-N 3.41Å; T210-I214 HydrophobicContact CG2-CD1 3.98Å; T210-I214 WeakPolarHBondContact O-CD1 3.39Å; T210-I214 VanDerWaalsContact O-CG1 3.28Å; T210-I214 WeakPolarHBondContact O-CG1 3.31Å; T210-I214 PolarHBondContact O-N 3.07Å; T210-L331 HydrophobicContact CG2-CD2 3.49Å; T210-L331 VanDerWaalsContact CG2-CD2 3.49Å; T210-I334 HydrophobicContact CG2-CG2 4.43Å
211	R	98.3	Very high	96.7	Very high	65 Å²	65	34.9 Å²	34.9	25%	0.245	19%	0.185	C	C	.	.	H	α-helix	trans	-57.8	-41.4	175.8	-167.4	-179.8	-62.3	-86.4	-3.6	112.6	L185 D186 T209 S215 M442 M462	L185-R211 HydrophobicContact CB-CB 4.22Å; L185-R211 WeakPolarHBondContact O-CB 3.32Å; L185-R211 PolarHBondContact O-N 3.13Å; D186-R211 VanDerWaalsContact CG-NE 3.31Å; D186-R211 WeakPolarHBondContact OD1-CD 3.15Å; D186-R211 IonicContact OD1-CZ 3.29Å; D186-R211 IonicContact OD1-NE 3.11Å; D186-R211 PolarHBondContact OD1-NE 2.97Å; D186-R211 IonicContact OD1-NH2 2.67Å; D186-R211 IonicContact OD2-CZ 3.86Å; D186-R211 VanDerWaalsContact OD2-CZ 3.29Å; D186-R211 IonicContact OD2-NE 3.84Å; D186-R211 PolarHBondContact OD2-NE 3.35Å; D186-R211 VanDerWaalsContact OD2-NE 3.11Å; D186-R211 IonicContact OD2-NH2 3.71Å; D186-R211 PolarHBondContact OD2-NH2 3.1Å; T209-R211 VanDerWaalsContact C-N 3.27Å; T209-R211 PolarHBondContact O-N 3.04Å; R211-S215 PolarHBondContact O-N 3.37Å; R211-S215 PolarHBondContact O-OG 3.4Å; R211-M442 PolarHBondContact NH1-SD 3.21Å; R211-M442 VanDerWaalsContact NH1-SD 3.41Å; R211-M462 HydrophobicContact CG-CE 4.13Å
212	L	98.3	Very high	96.6	Very high	35 Å²	35	35.1 Å²	35.1	18%	0.183	19%	0.187	C	C	.	.	H	α-helix	trans	-71.7	-32.7	178.6	-66.5	174.2	0	0	0	112.5	T209 T210 H216 L217 S218 P317	T209-L212 HydrophobicContact CG2-CD1 4.45Å; T209-L212 PolarHBondContact O-N 3.49Å; T209-L212 VanDerWaalsContact O-N 3.12Å; T209-L212 WeakPolarHBondContact OG1-CG 3.3Å; T209-L212 PolarHBondContact OG1-N 3.04Å; T210-L212 VanDerWaalsContact C-N 3.32Å; T210-L212 PolarHBondContact O-N 2.8Å; L212-H216 PolarHBondContact O-N 2.95Å; L212-L217 HydrophobicContact CB-CB 4.49Å; L212-L217 HydrophobicContact CD2-CB 3.7Å; L212-L217 HydrophobicContact CD2-CD1 4.34Å; L212-L217 PolarHBondContact O-N 2.86Å; L212-S218 PolarHBondContact O-N 3Å; L212-P317 HydrophobicContact CD1-CB 3.85Å
213	L	98.4	Very high	96.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.8	-50.6	172.3	-67.1	174.5	0	0	0	111.7	V189 V208 T209 T210 S215 H216 I220 L330 L331 I334	V189-L213 HydrophobicContact CG1-CD1 3.67Å; V189-L213 HydrophobicContact CG1-CG 4.38Å; V208-L213 HydrophobicContact CG1-CD2 3.82Å; V208-L213 HydrophobicContact CG1-CG 3.94Å; T209-L213 PolarHBondContact O-N 3.02Å; T209-L213 VanDerWaalsContact O-N 3.09Å; T210-L213 WeakPolarHBondContact O-CB 3.49Å; T210-L213 PolarHBondContact O-N 3.41Å; L213-S215 PolarHBondContact O-N 2.7Å; L213-H216 PolarHBondContact O-N 3.12Å; L213-I220 HydrophobicContact CD2-CD1 3.6Å; L213-L330 HydrophobicContact CD1-CB 4.14Å; L213-L330 HydrophobicContact CD1-CD2 3.82Å; L213-L330 HydrophobicContact CD1-CG 3.82Å; L213-L330 HydrophobicContact CD2-CD2 4.13Å; L213-L331 HydrophobicContact CB-CD1 4.07Å; L213-L331 HydrophobicContact CB-CD2 3.76Å; L213-L331 HydrophobicContact CB-CG 3.84Å; L213-L331 HydrophobicContact CD1-CD2 3.77Å; L213-L331 HydrophobicContact CD1-CG 4.06Å; L213-L331 HydrophobicContact CG-CD2 4.44Å; L213-I334 HydrophobicContact CD1-CD1 3.7Å
214	I	98.1	Very high	96.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-53.4	-44	-179.2	-72.3	160.8	0	0	0	111	M171 L174 L185 T210 Y328 L331 M462	M171-I214 HydrophobicContact CE-CD1 4.13Å; M171-I214 HydrophobicContact SD-CB 4.37Å; M171-I214 HydrophobicContact SD-CD1 3.7Å; M171-I214 HydrophobicContact SD-CG1 3.9Å; M171-I214 HydrophobicContact SD-CG2 3.5Å; M171-I214 VanDerWaalsContact SD-CG2 3.5Å; L174-I214 HydrophobicContact CD1-CD1 4.02Å; L174-I214 HydrophobicContact CD1-CG1 3.86Å; L185-I214 HydrophobicContact CD2-CD1 3.97Å; T210-I214 HydrophobicContact CG2-CD1 3.98Å; T210-I214 WeakPolarHBondContact O-CD1 3.39Å; T210-I214 VanDerWaalsContact O-CG1 3.28Å; T210-I214 WeakPolarHBondContact O-CG1 3.31Å; T210-I214 PolarHBondContact O-N 3.07Å; I214-Y328 PolarHBondContact O-OH 3.34Å; I214-L331 HydrophobicContact CG1-CD1 3.79Å; I214-L331 HydrophobicContact CG1-CD2 4.07Å; I214-M462 HydrophobicContact CG2-CB 3.55Å; I214-M462 HydrophobicContact CG2-CG 3.91Å
215	S	97.2	Very high	95.7	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.007	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	8.4	-173.2	-43.3	0	0	0	0	114	R211 L213 L217	R211-S215 PolarHBondContact O-N 3.37Å; R211-S215 PolarHBondContact O-OG 3.4Å; L213-S215 PolarHBondContact O-N 2.7Å; S215-L217 VanDerWaalsContact C-N 3.3Å; S215-L217 PolarHBondContact O-N 3.3Å
216	H	97.8	Very high	95.3	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	35.2	-177.1	-55	-72.1	0	0	0	114.9	L212 L213 F321 L322 Y323 S324 Y328 Y460	L212-H216 PolarHBondContact O-N 2.95Å; L213-H216 PolarHBondContact O-N 3.12Å; H216-F321 HydrophobicContact CB-CD2 3.84Å; H216-F321 HydrophobicContact CB-CE2 3.63Å; H216-F321 HydrophobicContact CB-CZ 4.27Å; H216-F321 AromaticContact CD2-CE2 3.94Å; H216-F321 WeakPolarHBondContact O-CA 3.45Å; H216-L322 PolarHBondContact O-N 2.95Å; H216-Y323 AromaticContact CD2-CD2 3.68Å; H216-Y323 AromaticContact CE1-CD2 3.63Å; H216-Y323 AromaticContact CE1-CE2 3.71Å; H216-Y323 AromaticContact CG-CD2 3.98Å; H216-Y323 AromaticContact ND1-CD2 3.94Å; H216-Y323 AromaticContact NE2-CD2 3.46Å; H216-Y323 WeakPolarHBondContact NE2-CD2 3.1Å; H216-Y323 AromaticContact NE2-CE2 3.46Å; H216-Y323 WeakPolarHBondContact NE2-CE2 3.33Å; H216-S324 PolarHBondContact ND1-N 3Å; H216-Y328 AromaticContact CE1-CD2 3.76Å; H216-Y328 AromaticContact CE1-CE2 3.32Å; H216-Y328 WeakPolarHBondContact CE1-CE2 3.1Å; H216-Y328 AromaticContact NE2-CE2 3.73Å; H216-Y460 AromaticContact CD2-CD1 3.66Å; H216-Y460 AromaticContact CD2-CE1 3.2Å; H216-Y460 WeakPolarHBondContact CD2-CE1 3.31Å; H216-Y460 AromaticContact CD2-CZ 3.63Å; H216-Y460 AromaticContact NE2-CE1 3.4Å; H216-Y460 WeakPolarHBondContact NE2-CE1 3.49Å; H216-Y460 AromaticContact NE2-CZ 3.46Å; H216-Y460 PolarHBondContact NE2-OH 3.21Å
217	L	97.6	Very high	94.9	Very high	11 Å²	11	25.3 Å²	25.3	6%	0.058	13%	0.126	C	C	.	.			trans	-107.3	5.9	178.6	-67.6	175.3	0	0	0	113.1	L212 S215 G219 P317 G318 F321 V447 T450	L212-L217 HydrophobicContact CB-CB 4.49Å; L212-L217 HydrophobicContact CD2-CB 3.7Å; L212-L217 HydrophobicContact CD2-CD1 4.34Å; L212-L217 PolarHBondContact O-N 2.86Å; S215-L217 VanDerWaalsContact C-N 3.3Å; S215-L217 PolarHBondContact O-N 3.3Å; L217-G219 VanDerWaalsContact C-N 3.3Å; L217-G219 PolarHBondContact O-N 3.26Å; L217-P317 CarbonylContact O-C 3.57Å; L217-P317 WeakPolarHBondContact O-CA 3.45Å; L217-G318 PolarHBondContact O-N 3.13Å; L217-F321 HydrophobicContact CD2-CB 4.26Å; L217-V447 HydrophobicContact CD1-CG1 3.64Å; L217-T450 HydrophobicContact CD1-CG2 4.48Å; L217-T450 HydrophobicContact CD2-CG2 4.35Å; L217-T450 HydrophobicContact CG-CG2 4.46Å
218	S	97.2	Very high	94.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-72.7	-16.2	-175.8	62.3	0	0	0	0	115.2	L212 I220	L212-S218 PolarHBondContact O-N 3Å; S218-I220 PolarHBondContact O-N 3.28Å; S218-I220 PolarHBondContact OG-N 3.42Å
219	G	96.4	Very high	94.1	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.01	15%	0.149	C	C	.	.			trans	74.2	-0.1	-171.1	0	0	0	0	0	114.6	L217 F314	L217-G219 VanDerWaalsContact C-N 3.3Å; L217-G219 PolarHBondContact O-N 3.26Å; G219-F314 PolarHBondContact O-N 3.08Å
220	I	97.1	Very high	93.4	Very high	7 Å²	7	32.3 Å²	32.3	4%	0.036	15%	0.149	C	C	.	.			trans	-68	133.2	173	-61.1	176.9	0	0	0	108.8	F196 L213 S218 F308 L313 S324 F326 L330	F196-I220 HydrophobicContact CE2-CD1 4.42Å; F196-I220 HydrophobicContact CZ-CD1 3.79Å; L213-I220 HydrophobicContact CD2-CD1 3.6Å; S218-I220 PolarHBondContact O-N 3.28Å; S218-I220 PolarHBondContact OG-N 3.42Å; I220-F308 HydrophobicContact CD1-CE2 4.3Å; I220-F308 HydrophobicContact CG2-CD2 3.72Å; I220-F308 HydrophobicContact CG2-CE2 3.99Å; I220-L313 HydrophobicContact CG1-CD2 3.81Å; I220-S324 WeakPolarHBondContact O-CB 3.39Å; I220-F326 HydrophobicContact CG2-CB 4.13Å; I220-L330 HydrophobicContact CD1-CD2 4.28Å
221	R	94.8	Very high	92.9	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.015	17%	0.165	C	C	.	.			trans	-63.1	166	-177.2	65.4	168.4	-177	92.4	0.3	114.1	E224 E291 L307 D311 F314 S324	R221-E224 WeakPolarHBondContact CD-O 3.28Å; R221-E291 IonicContact CZ-OE1 3Å; R221-E291 IonicContact CZ-OE2 2.68Å; R221-E291 IonicContact NH1-OE1 3.24Å; R221-E291 IonicContact NH1-OE2 3.9Å; R221-E291 PolarHBondContact NH1-OE2 3.18Å; R221-E291 IonicContact NH2-OE1 2.71Å; R221-E291 PolarHBondContact NH2-OE1 3.22Å; R221-E291 IonicContact NH2-OE2 3.74Å; R221-E291 PolarHBondContact NH2-OE2 3.15Å; R221-L307 PolarHBondContact NH2-O 2.88Å; R221-L307 VanDerWaalsContact NH2-O 3.07Å; R221-D311 IonicContact CZ-OD2 3.58Å; R221-D311 IonicContact NE-OD2 2.9Å; R221-D311 PolarHBondContact NE-OD2 3.16Å; R221-D311 IonicContact NH2-OD2 2.78Å; R221-D311 PolarHBondContact NH2-OD2 3.11Å; R221-F314 HydrophobicContact CB-CD1 3.87Å; R221-F314 HydrophobicContact CB-CE1 3.46Å; R221-F314 VanDerWaalsContact CB-CE1 3.46Å; R221-F314 HydrophobicContact CB-CE2 4.18Å; R221-F314 HydrophobicContact CB-CG 4.42Å; R221-F314 HydrophobicContact CB-CZ 3.63Å; R221-F314 HydrophobicContact CG-CE1 4.24Å; R221-S324 WeakPolarHBondContact O-CB 3.19Å; R221-S324 PolarHBondContact O-OG 3.11Å
222	H	92.1	Very high	92.4	Very high	36 Å²	36	39.3 Å²	39.3	17%	0.167	18%	0.183	C	C	.	.			trans	-91.6	-149.1	160.5	-155.5	6	0	0	0	110.2	E224 Y323 T325	H222-E224 VanDerWaalsContact C-N 3.27Å; H222-E224 PolarHBondContact O-N 3.18Å; H222-Y323 WeakPolarHBondContact CB-O 3.46Å; H222-Y323 AromaticContact NE2-CD1 3.92Å; H222-T325 PolarHBondContact CE1-OG1 3.32Å; H222-T325 VanDerWaalsContact CE1-OG1 3.3Å
223	Y	89.1	Confident	91.8	Very high	21 Å²	21	41.5 Å²	41.5	8%	0.082	19%	0.192	C	C	.	.	S	Bend	trans	-72.8	-15.1	177.9	-47.9	-62.2	0	0	0	113.9	E291 L292 F326 Y393	Y223-E291 HydrophobicContact CD1-CB 4.09Å; Y223-L292 HydrophobicContact CD2-CB 4.12Å; Y223-L292 HydrophobicContact CD2-CD1 4.33Å; Y223-L292 HydrophobicContact CE2-CB 4.14Å; Y223-L292 HydrophobicContact CE2-CD1 3.55Å; Y223-L292 HydrophobicContact CE2-CG 4.34Å; Y223-L292 HydrophobicContact CG-CB 4.34Å; Y223-F326 AromaticContact CD1-CE2 3.89Å; Y223-F326 HydrophobicContact CD1-CE2 3.89Å; Y223-F326 HydrophobicContact CD1-CZ 4.04Å; Y223-F326 HydrophobicContact CE1-CE2 4.44Å; Y223-F326 HydrophobicContact CE1-CZ 4.36Å; Y223-Y393 HydrophobicContact CE1-CE2 4.23Å; Y223-Y393 WeakPolarHBondContact CE1-OH 3.32Å
224	E	87.1	Confident	91.1	Very high	35 Å²	35	43.4 Å²	43.4	16%	0.164	20%	0.2	C	C	.	.			trans	-75.7	129.9	170.6	-169.1	48.2	-97.3	0	0	110.6	R221 H222 D226 K229 V230 Q289	R221-E224 WeakPolarHBondContact CD-O 3.28Å; H222-E224 VanDerWaalsContact C-N 3.27Å; H222-E224 PolarHBondContact O-N 3.18Å; E224-D226 PolarHBondContact OE1-N 3.25Å; E224-K229 HydrophobicContact CG-CD 4.27Å; E224-K229 IonicContact OE2-NZ 2.68Å; E224-K229 PolarHBondContact OE2-NZ 3.34Å; E224-V230 HydrophobicContact CB-CG2 3.77Å; E224-V230 HydrophobicContact CG-CG2 3.56Å; E224-Q289 PolarHBondContact OE2-NE2 3.07Å
225	K	86.4	Confident	90.4	Very high	112 Å²	112	46.3 Å²	46.3	49%	0.487	22%	0.224	S	C	.	.			trans	-98.9	-22.2	179.1	-58.7	-156	-176.8	-150.1	0	113	I227 E291	K225-I227 PolarHBondContact O-N 3.37Å; K225-E291 VanDerWaalsContact CE-CD 3.47Å; K225-E291 WeakPolarHBondContact CE-OE1 3.46Å; K225-E291 IonicContact NZ-OE1 2.73Å; K225-E291 PolarHBondContact NZ-OE1 2.76Å
226	D	87.3	Confident	89.8	Confident	76 Å²	76	53.5 Å²	53.5	41%	0.406	25%	0.252	S	S	.	.			trans	-78.2	106	178.8	-172.2	-11.6	0	0	0	111.7	E224 K228 K229 V230	E224-D226 PolarHBondContact OE1-N 3.25Å; D226-K228 VanDerWaalsContact C-N 3.28Å; D226-K228 PolarHBondContact O-N 3.3Å; D226-K228 WeakPolarHBondContact OD1-CA 3.41Å; D226-K228 WeakPolarHBondContact OD1-CB 3.4Å; D226-K228 PolarHBondContact OD1-N 3.31Å; D226-K229 HydrophobicContact CB-CB 3.82Å; D226-K229 PolarHBondContact O-N 3.17Å; D226-K229 PolarHBondContact OD1-N 2.87Å; D226-V230 PolarHBondContact O-N 3.41Å; D226-V230 VanDerWaalsContact O-N 3.11Å
227	I	89.3	Confident	89.1	Confident	53 Å²	53	58.4 Å²	58.4	27%	0.272	27%	0.274	S	S	.	.	H	α-helix	trans	-57.5	-40.6	175.4	-56.4	171	0	0	0	111.4	K225 V230 K231 P312 F314	K225-I227 PolarHBondContact O-N 3.37Å; I227-V230 PolarHBondContact O-N 2.81Å; I227-K231 HydrophobicContact CG2-CD 3.98Å; I227-K231 HydrophobicContact CG2-CG 4.33Å; I227-K231 WeakPolarHBondContact O-CB 3.48Å; I227-K231 WeakPolarHBondContact O-CG 3.28Å; I227-K231 PolarHBondContact O-N 2.82Å; I227-P312 HydrophobicContact CD1-CG 3.84Å; I227-F314 HydrophobicContact CB-CD2 4.45Å; I227-F314 HydrophobicContact CB-CE2 4.33Å; I227-F314 HydrophobicContact CB-CZ 4.37Å; I227-F314 HydrophobicContact CD1-CD1 4.46Å; I227-F314 HydrophobicContact CD1-CE1 4.36Å; I227-F314 HydrophobicContact CG1-CD1 3.76Å; I227-F314 HydrophobicContact CG1-CD2 4.31Å; I227-F314 HydrophobicContact CG1-CE1 3.48Å; I227-F314 VanDerWaalsContact CG1-CE1 3.48Å; I227-F314 HydrophobicContact CG1-CE2 4.09Å; I227-F314 HydrophobicContact CG1-CG 4.17Å; I227-F314 HydrophobicContact CG1-CZ 3.67Å; I227-F314 HydrophobicContact CG2-CD2 4.42Å; I227-F314 HydrophobicContact CG2-CG 4.4Å
228	K	88.9	Confident	88.3	Confident	153 Å²	153	60 Å²	60	67%	0.665	29%	0.289	S	S	*	.	H	α-helix	trans	-65.5	-49.7	-177.4	-63.8	-179.5	178.5	179.1	0	109.5	D226 V230 K231 E232	D226-K228 VanDerWaalsContact C-N 3.28Å; D226-K228 PolarHBondContact O-N 3.3Å; D226-K228 WeakPolarHBondContact OD1-CA 3.41Å; D226-K228 WeakPolarHBondContact OD1-CB 3.4Å; D226-K228 PolarHBondContact OD1-N 3.31Å; K228-V230 VanDerWaalsContact C-N 3.34Å; K228-V230 PolarHBondContact O-N 3.38Å; K228-K231 CarbonylContact O-C 3.6Å; K228-K231 PolarHBondContact O-N 3.13Å; K228-K231 VanDerWaalsContact O-N 3.1Å; K228-E232 WeakPolarHBondContact O-CB 3.46Å; K228-E232 WeakPolarHBondContact O-CG 3.4Å; K228-E232 PolarHBondContact O-N 3.35Å
229	K	87.1	Confident	87.7	Confident	55 Å²	55	64.3 Å²	64.3	24%	0.239	31%	0.311	C	S	.	.	H	α-helix	trans	-55.5	-45.7	176.6	-173.6	-175.2	164.3	-160.3	0	112.3	E224 D226 E232 E233	E224-K229 HydrophobicContact CG-CD 4.27Å; E224-K229 IonicContact OE2-NZ 2.68Å; E224-K229 PolarHBondContact OE2-NZ 3.34Å; D226-K229 HydrophobicContact CB-CB 3.82Å; D226-K229 PolarHBondContact O-N 3.17Å; D226-K229 PolarHBondContact OD1-N 2.87Å; K229-E232 PolarHBondContact O-N 3.42Å; K229-E233 WeakPolarHBondContact CE-OE1 3.18Å; K229-E233 IonicContact NZ-OE1 2.69Å; K229-E233 WeakPolarHBondContact O-CB 3.45Å; K229-E233 WeakPolarHBondContact O-CG 3.36Å; K229-E233 PolarHBondContact O-N 3.48Å
230	V	85.6	Confident	87	Confident	13 Å²	13	69.2 Å²	69.2	8%	0.079	33%	0.332	C	S	.	.	H	α-helix	trans	-67.3	-37.1	177.5	173.3	0	0	0	0	112.3	E224 D226 I227 K228 K234 F314 F315 L322	E224-V230 HydrophobicContact CB-CG2 3.77Å; E224-V230 HydrophobicContact CG-CG2 3.56Å; D226-V230 PolarHBondContact O-N 3.41Å; D226-V230 VanDerWaalsContact O-N 3.11Å; I227-V230 PolarHBondContact O-N 2.81Å; K228-V230 VanDerWaalsContact C-N 3.34Å; K228-V230 PolarHBondContact O-N 3.38Å; V230-K234 WeakPolarHBondContact O-CB 3.24Å; V230-K234 PolarHBondContact O-N 2.85Å; V230-K234 VanDerWaalsContact O-N 3.1Å; V230-F314 HydrophobicContact CB-CD2 3.87Å; V230-F314 HydrophobicContact CB-CE2 3.8Å; V230-F314 HydrophobicContact CG1-CD2 3.89Å; V230-F314 HydrophobicContact CG1-CE2 4.24Å; V230-F314 HydrophobicContact CG2-CD2 4.22Å; V230-F314 HydrophobicContact CG2-CE2 3.7Å; V230-F315 HydrophobicContact CG1-CE2 4.42Å; V230-L322 HydrophobicContact CG1-CD1 3.83Å
231	K	87.3	Confident	85.9	Confident	80 Å²	80	73.4 Å²	73.4	35%	0.348	35%	0.353	S	S	.	.	H	α-helix	trans	-65.9	-41.2	173.9	-74	-175	178.2	-171.3	0	111.6	I227 K228 K234 A235 F314 F315	I227-K231 HydrophobicContact CG2-CD 3.98Å; I227-K231 HydrophobicContact CG2-CG 4.33Å; I227-K231 WeakPolarHBondContact O-CB 3.48Å; I227-K231 WeakPolarHBondContact O-CG 3.28Å; I227-K231 PolarHBondContact O-N 2.82Å; K228-K231 CarbonylContact O-C 3.6Å; K228-K231 PolarHBondContact O-N 3.13Å; K228-K231 VanDerWaalsContact O-N 3.1Å; K231-K234 PolarHBondContact O-N 2.61Å; K231-A235 WeakPolarHBondContact O-CB 3.17Å; K231-A235 PolarHBondContact O-N 3.23Å; K231-F314 WeakPolarHBondContact CE-O 3.5Å; K231-F314 PolarHBondContact NZ-O 3.33Å; K231-F315 HydrophobicContact CD-CE1 4.33Å; K231-F315 HydrophobicContact CG-CE1 3.81Å; K231-F315 HydrophobicContact CG-CZ 3.91Å
232	E	88.1	Confident	84.9	Confident	132 Å²	132	79.2 Å²	79.2	62%	0.617	38%	0.382	S	S	*	.	H	α-helix	trans	-65.2	-46.4	175.6	-74	170.4	-159.9	0	0	112.5	K228 K229 K234 A235 Y236	K228-E232 WeakPolarHBondContact O-CB 3.46Å; K228-E232 WeakPolarHBondContact O-CG 3.4Å; K228-E232 PolarHBondContact O-N 3.35Å; K229-E232 PolarHBondContact O-N 3.42Å; E232-K234 VanDerWaalsContact C-N 3.31Å; E232-K234 PolarHBondContact O-N 3.04Å; E232-A235 PolarHBondContact O-N 2.94Å; E232-Y236 WeakPolarHBondContact O-CB 3.49Å; E232-Y236 PolarHBondContact O-N 3.36Å
233	E	84.8	Confident	84	Confident	80 Å²	80	84.2 Å²	84.2	37%	0.374	40%	0.403	S	S	.	.	H	α-helix	trans	-61.4	-39.2	176.9	-76.4	179.2	-175.8	0	0	111.9	K229 K237	K229-E233 WeakPolarHBondContact CE-OE1 3.18Å; K229-E233 IonicContact NZ-OE1 2.69Å; K229-E233 WeakPolarHBondContact O-CB 3.45Å; K229-E233 WeakPolarHBondContact O-CG 3.36Å; K229-E233 PolarHBondContact O-N 3.48Å; E233-K237 WeakPolarHBondContact O-CG 3.4Å; E233-K237 PolarHBondContact O-N 3.37Å
234	K	83.8	Confident	83.1	Confident	41 Å²	41	87 Å²	87	18%	0.178	42%	0.417	C	S	.	.	H	α-helix	trans	-65.7	-47.5	172.3	-86.1	179.3	148.9	-165.9	0	112.6	V230 K231 E232 Y236 K237 A238 F315 F321	V230-K234 WeakPolarHBondContact O-CB 3.24Å; V230-K234 PolarHBondContact O-N 2.85Å; V230-K234 VanDerWaalsContact O-N 3.1Å; K231-K234 PolarHBondContact O-N 2.61Å; E232-K234 VanDerWaalsContact C-N 3.31Å; E232-K234 PolarHBondContact O-N 3.04Å; K234-Y236 VanDerWaalsContact C-N 3.28Å; K234-Y236 PolarHBondContact O-N 3.19Å; K234-K237 PolarHBondContact O-N 3.16Å; K234-A238 PolarHBondContact O-N 3.48Å; K234-F315 HydrophobicContact CD-CE1 4.39Å; K234-F315 HydrophobicContact CD-CE2 3.92Å; K234-F315 HydrophobicContact CD-CZ 3.55Å; K234-F321 WeakPolarHBondContact CE-O 3.18Å; K234-F321 PolarHBondContact NZ-O 3.22Å
235	A	84.6	Confident	81.8	Confident	61 Å²	61	88.9 Å²	88.9	50%	0.504	43%	0.431	S	S	.	.	H	α-helix	trans	-59.4	-41.4	177.3	0	0	0	0	0	111.4	K231 E232 A238 L239	K231-A235 WeakPolarHBondContact O-CB 3.17Å; K231-A235 PolarHBondContact O-N 3.23Å; E232-A235 PolarHBondContact O-N 2.94Å; A235-A238 PolarHBondContact O-N 2.83Å; A235-L239 WeakPolarHBondContact O-CB 3.39Å; A235-L239 PolarHBondContact O-N 2.68Å
236	Y	84.5	Confident	80.7	Confident	152 Å²	152	87 Å²	87	60%	0.596	43%	0.428	S	S	*	.	H	α-helix	trans	-64.3	-43.5	174.9	-179.9	-96.1	0	0	0	112.7	E232 K234 L239 K240	E232-Y236 WeakPolarHBondContact O-CB 3.49Å; E232-Y236 PolarHBondContact O-N 3.36Å; K234-Y236 VanDerWaalsContact C-N 3.28Å; K234-Y236 PolarHBondContact O-N 3.19Å; Y236-L239 PolarHBondContact O-N 2.79Å; Y236-K240 VanDerWaalsContact O-CB 3.3Å; Y236-K240 WeakPolarHBondContact O-CB 3.21Å; Y236-K240 PolarHBondContact O-N 3.18Å
237	K	81.9	Confident	79	Confident	103 Å²	103	85.6 Å²	85.6	45%	0.448	43%	0.427	S	S	.	.	H	α-helix	trans	-59	-48.9	173.9	-78.6	173.3	177.1	-179.5	0	111.5	E233 K234 K240 M241	E233-K237 WeakPolarHBondContact O-CG 3.4Å; E233-K237 PolarHBondContact O-N 3.37Å; K234-K237 PolarHBondContact O-N 3.16Å; K237-K240 PolarHBondContact O-N 3.12Å; K237-M241 WeakPolarHBondContact O-CG 3.47Å; K237-M241 PolarHBondContact O-N 3.41Å
238	A	82.3	Confident	76.8	Confident	46 Å²	46	88.9 Å²	88.9	38%	0.38	44%	0.44	S	S	.	.	H	α-helix	trans	-61	-47.6	178.9	0	0	0	0	0	111.8	K234 A235 K240 M241 M242	K234-A238 PolarHBondContact O-N 3.48Å; A235-A238 PolarHBondContact O-N 2.83Å; A238-K240 VanDerWaalsContact C-N 3.29Å; A238-K240 PolarHBondContact O-N 2.74Å; A238-M241 PolarHBondContact O-N 3.07Å; A238-M242 WeakPolarHBondContact O-CG 3.37Å; A238-M242 PolarHBondContact O-N 2.57Å
239	L	83.1	Confident	74.6	Confident	90 Å²	90	87 Å²	87	47%	0.471	43%	0.434	S	S	.	.	H	α-helix	trans	-60.4	-38.7	176.3	-165.1	88.6	0	0	0	111.9	A235 Y236 K243	A235-L239 WeakPolarHBondContact O-CB 3.39Å; A235-L239 PolarHBondContact O-N 2.68Å; Y236-L239 PolarHBondContact O-N 2.79Å; L239-K243 WeakPolarHBondContact O-CG 3.25Å; L239-K243 PolarHBondContact O-N 2.73Å; L239-K243 VanDerWaalsContact O-N 3.1Å
240	K	81.7	Confident	72.6	Confident	103 Å²	103	90.7 Å²	90.7	45%	0.448	45%	0.452	S	S	.	.	H	α-helix	trans	-66.1	-44.2	176.3	178	172.1	170.3	171.9	0	111.5	Y236 K237 A238 K243 E244	Y236-K240 VanDerWaalsContact O-CB 3.3Å; Y236-K240 WeakPolarHBondContact O-CB 3.21Å; Y236-K240 PolarHBondContact O-N 3.18Å; K237-K240 PolarHBondContact O-N 3.12Å; A238-K240 VanDerWaalsContact C-N 3.29Å; A238-K240 PolarHBondContact O-N 2.74Å; K240-K243 PolarHBondContact O-N 2.75Å; K240-E244 WeakPolarHBondContact CE-OE1 3.38Å; K240-E244 IonicContact NZ-OE1 2.69Å; K240-E244 PolarHBondContact NZ-OE1 2.99Å; K240-E244 PolarHBondContact O-N 3.15Å
241	M	73.7	Confident	70.5	Confident	96 Å²	96	97.8 Å²	97.8	47%	0.473	48%	0.484	S	S	.	.	H	α-helix	trans	-60.8	-45.8	176.4	-71.1	173.5	178.6	0	0	111.4	K237 A238 K243 E244 T245	K237-M241 WeakPolarHBondContact O-CG 3.47Å; K237-M241 PolarHBondContact O-N 3.41Å; A238-M241 PolarHBondContact O-N 3.07Å; M241-K243 VanDerWaalsContact C-N 3.32Å; M241-K243 PolarHBondContact O-N 3.1Å; M241-E244 PolarHBondContact O-N 2.94Å; M241-T245 PolarHBondContact O-N 3.29Å; M241-T245 PolarHBondContact O-OG1 2.66Å; M241-T245 VanDerWaalsContact O-OG1 3.06Å
242	M	74.1	Confident	68.3	Low	126 Å²	126	101.2 Å²	101.2	62%	0.621	50%	0.499	S	S	*	.	H	α-helix	trans	-57.3	-43.4	175.3	-69.8	172.8	177.1	0	0	112.2	A238 T245 V246	A238-M242 WeakPolarHBondContact O-CG 3.37Å; A238-M242 PolarHBondContact O-N 2.57Å; M242-T245 PolarHBondContact O-N 3.23Å; M242-V246 WeakPolarHBondContact O-CG2 3.41Å; M242-V246 PolarHBondContact O-N 3.27Å
243	K	73.1	Confident	65.9	Low	141 Å²	141	102.9 Å²	102.9	61%	0.613	51%	0.507	S	S	*	.	H	α-helix	trans	-67.1	-38.6	177.3	-72.4	-178.5	180	-169.9	0	113.3	L239 K240 M241 T245 A247	L239-K243 WeakPolarHBondContact O-CG 3.25Å; L239-K243 PolarHBondContact O-N 2.73Å; L239-K243 VanDerWaalsContact O-N 3.1Å; K240-K243 PolarHBondContact O-N 2.75Å; M241-K243 VanDerWaalsContact C-N 3.32Å; M241-K243 PolarHBondContact O-N 3.1Å; K243-T245 VanDerWaalsContact C-N 3.32Å; K243-A247 WeakPolarHBondContact O-CB 3.46Å; K243-A247 PolarHBondContact O-N 2.98Å
244	E	70.3	Confident	63.8	Low	78 Å²	78	102 Å²	102	36%	0.364	52%	0.519	S	S	.	.	H	α-helix	trans	-64.2	-37.1	173.5	-73.6	-179.4	-178.7	0	0	111.4	K240 M241 F248 K456	K240-E244 WeakPolarHBondContact CE-OE1 3.38Å; K240-E244 IonicContact NZ-OE1 2.69Å; K240-E244 PolarHBondContact NZ-OE1 2.99Å; K240-E244 PolarHBondContact O-N 3.15Å; M241-E244 PolarHBondContact O-N 2.94Å; E244-F248 WeakPolarHBondContact O-CB 3.47Å; E244-F248 PolarHBondContact O-N 3.29Å; E244-K456 IonicContact OE2-NZ 3.55Å; E244-K456 PolarHBondContact OE2-NZ 2.86Å
245	T	61	Low	61.6	Low	76 Å²	76	109.8 Å²	109.8	47%	0.466	55%	0.553	S	S	.	*	H	α-helix	trans	-67.3	-50.2	175.2	-55	0	0	0	0	112.2	M241 M242 K243 A247 F248 E249	M241-T245 PolarHBondContact O-N 3.29Å; M241-T245 PolarHBondContact O-OG1 2.66Å; M241-T245 VanDerWaalsContact O-OG1 3.06Å; M242-T245 PolarHBondContact O-N 3.23Å; K243-T245 VanDerWaalsContact C-N 3.32Å; T245-A247 VanDerWaalsContact C-N 3.33Å; T245-A247 PolarHBondContact O-N 3.07Å; T245-F248 PolarHBondContact O-N 3.09Å; T245-F248 VanDerWaalsContact O-N 3.11Å; T245-E249 PolarHBondContact O-N 2.87Å
246	V	63.6	Low	59	Low	71 Å²	71	112.2 Å²	112.2	43%	0.43	57%	0.566	S	S	.	*	H	α-helix	trans	-62.8	-38.2	-179.6	172.1	0	0	0	0	111.9	M242 F248 E249 Q250	M242-V246 WeakPolarHBondContact O-CG2 3.41Å; M242-V246 PolarHBondContact O-N 3.27Å; V246-F248 VanDerWaalsContact C-N 3.34Å; V246-F248 PolarHBondContact O-N 3.26Å; V246-E249 PolarHBondContact O-N 2.83Å; V246-Q250 HydrophobicContact CG1-CG 4.45Å; V246-Q250 WeakPolarHBondContact O-CB 3.44Å; V246-Q250 WeakPolarHBondContact O-CG 3.27Å; V246-Q250 PolarHBondContact O-N 3.37Å
247	A	50.6	Low	56.4	Low	47 Å²	47	113 Å²	113	39%	0.388	58%	0.581	S	S	.	*	H	α-helix	trans	-63.1	-40.3	174.5	0	0	0	0	0	112.1	K243 T245 E249 Q250 E251	K243-A247 WeakPolarHBondContact O-CB 3.46Å; K243-A247 PolarHBondContact O-N 2.98Å; T245-A247 VanDerWaalsContact C-N 3.33Å; T245-A247 PolarHBondContact O-N 3.07Å; A247-E249 VanDerWaalsContact C-N 3.32Å; A247-E249 PolarHBondContact O-N 3.4Å; A247-Q250 PolarHBondContact O-N 3.47Å; A247-E251 PolarHBondContact O-N 3.31Å
248	F	43.3	Very low	53.8	Low	123 Å²	123	117.3 Å²	117.3	54%	0.539	60%	0.603	S	S	.	*	H	α-helix	trans	-72.4	-23.1	178.1	-167.8	-106.8	0	0	0	113.5	E244 T245 V246 K252	E244-F248 WeakPolarHBondContact O-CB 3.47Å; E244-F248 PolarHBondContact O-N 3.29Å; T245-F248 PolarHBondContact O-N 3.09Å; T245-F248 VanDerWaalsContact O-N 3.11Å; V246-F248 VanDerWaalsContact C-N 3.34Å; V246-F248 PolarHBondContact O-N 3.26Å; F248-K252 WeakPolarHBondContact O-CG 3.4Å
249	E	43.4	Very low	51.4	Low	113 Å²	113	124.3 Å²	124.3	53%	0.528	62%	0.624	S	S	.	*	H	α-helix	trans	-78.7	-42.9	170.9	-72.1	172.3	166.1	0	0	111	T245 V246 A247 E251 K252 E253	T245-E249 PolarHBondContact O-N 2.87Å; V246-E249 PolarHBondContact O-N 2.83Å; A247-E249 VanDerWaalsContact C-N 3.32Å; A247-E249 PolarHBondContact O-N 3.4Å; E249-E251 PolarHBondContact O-N 2.96Å; E249-K252 WeakPolarHBondContact O-CB 3.45Å; E249-K252 PolarHBondContact O-N 3.29Å; E249-E253 PolarHBondContact O-N 3.48Å
250	Q	43.3	Very low	48.8	Very low	133 Å²	133	128 Å²	128	62%	0.621	64%	0.644	S	S	*	*	H	α-helix	trans	-63.9	-36.1	175.2	-72.8	178.4	-13.8	0	0	113	V246 A247 K252 E253 G254	V246-Q250 HydrophobicContact CG1-CG 4.45Å; V246-Q250 WeakPolarHBondContact O-CB 3.44Å; V246-Q250 WeakPolarHBondContact O-CG 3.27Å; V246-Q250 PolarHBondContact O-N 3.37Å; A247-Q250 PolarHBondContact O-N 3.47Å; Q250-K252 PolarHBondContact O-N 3.11Å; Q250-E253 PolarHBondContact O-N 3.5Å; Q250-G254 PolarHBondContact O-N 3.49Å
251	E	42.7	Very low	46.3	Very low	161 Å²	161	129.4 Å²	129.4	75%	0.752	66%	0.657	S	S	*	*	H	α-helix	trans	-66.4	-19	171.7	-77.6	-174	163.3	0	0	113.5	A247 E249	A247-E251 PolarHBondContact O-N 3.31Å; E249-E251 PolarHBondContact O-N 2.96Å
252	K	40.8	Very low	44	Very low	153 Å²	153	134.3 Å²	134.3	67%	0.665	68%	0.676	S	S	*	*	H	α-helix	trans	-88.8	-28.1	176.3	-77.5	-179.6	175.3	-174.5	0	114	F248 E249 Q250	F248-K252 WeakPolarHBondContact O-CG 3.4Å; E249-K252 WeakPolarHBondContact O-CB 3.45Å; E249-K252 PolarHBondContact O-N 3.29Å; Q250-K252 PolarHBondContact O-N 3.11Å
253	E	37.3	Very low	41.8	Very low	166 Å²	166	133.4 Å²	133.4	78%	0.776	68%	0.678	S	S	*	*	H	α-helix	trans	-84.7	-15.8	175.7	-65.7	-171.8	148.5	0	0	112.7	E249 Q250 K255	E249-E253 PolarHBondContact O-N 3.48Å; Q250-E253 PolarHBondContact O-N 3.5Å; E253-K255 VanDerWaalsContact C-N 3.25Å; E253-K255 PolarHBondContact O-N 3.25Å
254	G	40.8	Very low	39.7	Very low	61 Å²	61	135.6 Å²	135.6	63%	0.629	69%	0.687	S	S	*	*			trans	-72.8	44.8	-178.2	0	0	0	0	0	117.5	Q250	Q250-G254 PolarHBondContact O-N 3.49Å
255	K	38	Very low	37.5	Very low	205 Å²	205	142 Å²	142	89%	0.891	71%	0.714	S	S	*	*			trans	-143.1	69.3	168.3	-91.6	-165.3	178.7	177.7	0	114.2	E253	E253-K255 VanDerWaalsContact C-N 3.25Å; E253-K255 PolarHBondContact O-N 3.25Å
256	S	29.5	Very low	35.8	Very low	113 Å²	113	145.7 Å²	145.7	79%	0.79	72%	0.724	S	S	*	*			trans	-133.2	123.7	150.2	53.4	0	0	0	0	109.7
257	N	29.9	Very low	33.9	Very low	168 Å²	168	148.7 Å²	148.7	90%	0.898	74%	0.743	S	S	*	*			trans	-69.9	136.5	173.1	-81.1	-29.7	0	0	0	109.7
258	E	28.5	Very low	32.7	Very low	194 Å²	194	152.8 Å²	152.8	91%	0.907	75%	0.754	S	S	*	*			trans	-148.7	139.8	130.7	-122.4	169.2	-157.5	0	0	110.6
259	K	31.2	Very low	31.8	Very low	193 Å²	193	156.2 Å²	156.2	84%	0.839	77%	0.771	S	S	*	*			trans	-86.6	144.3	174.3	-71.5	175	173.5	178.2	0	108.4
260	N	27.2	Very low	30.8	Very low	167 Å²	167	159.4 Å²	159.4	89%	0.893	79%	0.786	S	S	*	*				-161.1	151.4	125	-97.8	-26.6	0	0	0	112.3
261	D	29.6	Very low	29.9	Very low	133 Å²	133	160.4 Å²	160.4	71%	0.711	80%	0.796	S	S	*	*			trans	-61.2	150.2	176.5	-96.9	-57.6	0	0	0	112.8
262	F	26.4	Very low	29.1	Very low	198 Å²	198	161.4 Å²	161.4	87%	0.868	80%	0.8	S	S	*	*				-167.3	161.8	101.9	-116.9	-89.2	0	0	0	113.5
263	T	27.3	Very low	28.4	Very low	108 Å²	108	158.8 Å²	158.8	66%	0.663	81%	0.807	S	S	*	*			trans	-91	132	-160.8	29.3	0	0	0	0	115.8
264	K	29	Very low	27.9	Very low	187 Å²	187	160.6 Å²	160.6	81%	0.813	81%	0.813	S	S	*	*				35.2	109.9	128	-168.5	-171	-168.8	-178.4	0	118.1
265	F	23.3	Very low	27.3	Very low	211 Å²	211	163.3 Å²	163.3	93%	0.925	82%	0.822	S	S	*	*			trans	-141.1	153.2	139.7	-109.8	-81.6	0	0	0	111.8
266	K	26.3	Very low	26.7	Very low	155 Å²	155	165.1 Å²	165.1	67%	0.674	82%	0.823	S	S	*	*			trans	-136.4	123.2	-169.4	178.8	-151.6	179.4	-140.2	0	108.8	E268	K266-E268 WeakPolarHBondContact CE-OE1 3.16Å; K266-E268 IonicContact NZ-OE1 2.89Å; K266-E268 PolarHBondContact NZ-OE1 3.03Å
267	T	24.3	Very low	26.5	Very low	134 Å²	134	166.7 Å²	166.7	82%	0.822	82%	0.823	S	S	*	*			trans	-145.2	137.5	159.9	-42.8	0	0	0	0	109.9
268	E	23.9	Very low	26.3	Very low	133 Å²	133	164 Å²	164	62%	0.621	82%	0.817	S	S	*	*			trans	-75.7	152.6	174	-61.5	101.6	-170.2	0	0	112.1	K266	K266-E268 WeakPolarHBondContact CE-OE1 3.16Å; K266-E268 IonicContact NZ-OE1 2.89Å; K266-E268 PolarHBondContact NZ-OE1 3.03Å
269	Q	24.9	Very low	26.2	Very low	194 Å²	194	163.1 Å²	163.1	91%	0.907	81%	0.81	S	S	*	*				-158.5	134.5	122.1	-113.3	174.5	14.3	0	0	111.6
270	E	22.9	Very low	26.3	Very low	181 Å²	181	159.7 Å²	159.7	85%	0.846	81%	0.808	S	S	*	*			trans	-73.5	145	174.5	-59.9	171.4	121.8	0	0	109.9
271	N	24.3	Very low	26.5	Very low	153 Å²	153	155.3 Å²	155.3	82%	0.818	80%	0.802	S	S	*	*			trans	-150.6	120	144.6	-107.3	-32.6	0	0	0	112.4
272	E	24.9	Very low	26.6	Very low	182 Å²	182	158.5 Å²	158.5	85%	0.85	81%	0.809	S	S	*	*			trans	48.1	105.2	154.3	-57.8	-158.3	118.5	0	0	120.5
273	A	26.6	Very low	27.2	Very low	98 Å²	98	158.5 Å²	158.5	81%	0.81	81%	0.809	S	S	*	*			trans	-63.1	132	160.4	0	0	0	0	0	112.7
274	K	26.8	Very low	27.6	Very low	205 Å²	205	159.7 Å²	159.7	89%	0.891	81%	0.805	S	S	*	*			trans	-157.8	140.1	138.1	-108.6	154.4	-168.3	168.7	0	112
275	S	27.7	Very low	28.3	Very low	117 Å²	117	155.5 Å²	155.5	82%	0.818	79%	0.792	S	S	*	*	S	Bend	trans	61.5	87.1	170.9	-160.2	0	0	0	0	117.8
276	R	26.7	Very low	29.3	Very low	243 Å²	243	149.4 Å²	149.4	92%	0.917	77%	0.769	S	S	*	*			trans	-167.4	92.8	144.5	-105.1	160	-158.4	-167.1	6.9	110.6
277	N	24.9	Very low	30.3	Very low	146 Å²	146	144.9 Å²	144.9	78%	0.781	75%	0.749	S	S	*	*			trans	-147.2	47.7	166.1	-136.7	-12.3	0	0	0	112.5	K279	N277-K279 PolarHBondContact O-N 2.94Å
278	S	25.8	Very low	31.5	Very low	113 Å²	113	143.7 Å²	143.7	79%	0.79	73%	0.734	S	S	*	*			trans	-88.4	88	163	42.3	0	0	0	0	109.3
279	K	26.3	Very low	33.3	Very low	175 Å²	175	138.6 Å²	138.6	76%	0.761	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-59.6	139.1	169.3	-73.3	-177.9	177	178	0	109.6	N277	N277-K279 PolarHBondContact O-N 2.94Å
280	P	32.6	Very low	35.6	Very low	120 Å²	120	132.2 Å²	132.2	78%	0.779	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-63.1	141.6	-177.6	25.9	-34	0	0	0	111.2
281	G	31	Very low	38.5	Very low	75 Å²	75	124.6 Å²	124.6	77%	0.773	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-59.1	139.5	-170.4	0	0	0	0	0	113.8	K283	G281-K283 PolarHBondContact O-N 3.36Å
282	K	33.2	Very low	41.3	Very low	200 Å²	200	117.7 Å²	117.7	87%	0.87	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-52.3	133.1	163	-80.7	174.5	171.4	171.9	0	109	K284	K282-K284 PolarHBondContact O-N 2.95Å
283	K	38.5	Very low	44.2	Very low	198 Å²	198	111.9 Å²	111.9	86%	0.861	60%	0.595	S	S	*	*			trans	-53.2	111.1	155.7	-77.9	-174.6	173.5	-174.8	0	107.8	G281	G281-K283 PolarHBondContact O-N 3.36Å
284	K	35.8	Very low	47.2	Very low	133 Å²	133	108.8 Å²	108.8	58%	0.578	57%	0.565	S	S	*	*			trans	-78.9	127.2	156	-76.2	-172.7	167	-140.1	0	106.1	K282 E288	K282-K284 PolarHBondContact O-N 2.95Å; K284-E288 WeakPolarHBondContact CD-OE2 3.31Å; K284-E288 VanDerWaalsContact CE-OE2 3.27Å; K284-E288 WeakPolarHBondContact CE-OE2 3.31Å; K284-E288 IonicContact NZ-OE2 2.77Å; K284-E288 PolarHBondContact NZ-OE2 2.88Å
285	N	44.1	Very low	50.3	Low	99 Å²	99	107 Å²	107	53%	0.529	55%	0.552	S	S	.	*			trans	-70.4	155.5	171.8	-58.5	-16.7	0	0	0	108.7	F287 E288	N285-F287 HydrophobicContact CB-CB 4.27Å; N285-F287 HydrophobicContact CB-CD2 3.48Å; N285-F287 VanDerWaalsContact CB-CD2 3.48Å; N285-F287 HydrophobicContact CB-CE2 4.11Å; N285-F287 HydrophobicContact CB-CG 4.13Å; N285-F287 PolarHBondContact O-N 3.01Å; N285-E288 PolarHBondContact O-N 3.45Å
286	D	43.3	Very low	53.3	Low	83 Å²	83	105 Å²	105	44%	0.444	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	-53.4	-18.7	173.7	-49.7	-34.1	0	0	0	112.6	E288 Q289	D286-E288 PolarHBondContact O-N 2.84Å; D286-E288 VanDerWaalsContact O-N 3.08Å; D286-Q289 WeakPolarHBondContact O-CB 3.41Å; D286-Q289 PolarHBondContact O-N 3.41Å; D286-Q289 PolarHBondContact O-OE1 3.41Å; D286-Q289 VanDerWaalsContact O-OE1 3.13Å
287	F	48.2	Very low	56.5	Low	60 Å²	60	98.2 Å²	98.2	26%	0.263	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-73.9	16.3	-178.3	-44.5	-46.6	0	0	0	116	N285 L292 Y293 Q526 S527	N285-F287 HydrophobicContact CB-CB 4.27Å; N285-F287 HydrophobicContact CB-CD2 3.48Å; N285-F287 VanDerWaalsContact CB-CD2 3.48Å; N285-F287 HydrophobicContact CB-CE2 4.11Å; N285-F287 HydrophobicContact CB-CG 4.13Å; N285-F287 PolarHBondContact O-N 3.01Å; F287-L292 HydrophobicContact CD1-CD2 3.59Å; F287-L292 HydrophobicContact CE1-CD2 4.33Å; F287-Y293 WeakPolarHBondContact O-CE2 3.37Å; F287-Y293 PolarHBondContact O-OH 2.67Å; F287-Q526 HydrophobicContact CE1-CG 4.41Å; F287-Q526 HydrophobicContact CE2-CG 4.49Å; F287-Q526 HydrophobicContact CZ-CG 4.33Å; F287-S527 WeakPolarHBondContact CE2-OG 3.25Å
288	E	49.3	Very low	59.7	Low	110 Å²	110	91.4 Å²	91.4	51%	0.514	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-107.5	0.6	164.3	-67.5	-163.4	150.8	0	0	113	K284 N285 D286	K284-E288 WeakPolarHBondContact CD-OE2 3.31Å; K284-E288 VanDerWaalsContact CE-OE2 3.27Å; K284-E288 WeakPolarHBondContact CE-OE2 3.31Å; K284-E288 IonicContact NZ-OE2 2.77Å; K284-E288 PolarHBondContact NZ-OE2 2.88Å; N285-E288 PolarHBondContact O-N 3.45Å; D286-E288 PolarHBondContact O-N 2.84Å; D286-E288 VanDerWaalsContact O-N 3.08Å
289	Q	61.5	Low	62.7	Low	25 Å²	25	93.7 Å²	93.7	12%	0.117	47%	0.469	C	S	.	.			trans	-86.9	124.9	-175.1	-71.6	152	-7.6	0	0	112.3	E224 D286 E291 L292	E224-Q289 PolarHBondContact OE2-NE2 3.07Å; D286-Q289 WeakPolarHBondContact O-CB 3.41Å; D286-Q289 PolarHBondContact O-N 3.41Å; D286-Q289 PolarHBondContact O-OE1 3.41Å; D286-Q289 VanDerWaalsContact O-OE1 3.13Å; Q289-E291 VanDerWaalsContact C-N 3.34Å; Q289-E291 PolarHBondContact O-N 2.89Å; Q289-L292 WeakPolarHBondContact O-CB 3.5Å; Q289-L292 PolarHBondContact O-N 3.28Å; Q289-L292 VanDerWaalsContact O-N 3.13Å
290	G	73.1	Confident	65.6	Low	60 Å²	60	88.2 Å²	88.2	62%	0.619	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-59.3	-36.5	-169.9	0	0	0	0	0	115.1	L292 Y293 L294	G290-L292 VanDerWaalsContact C-N 3.29Å; G290-L292 PolarHBondContact O-N 2.68Å; G290-Y293 CarbonylContact O-C 3.48Å; G290-Y293 PolarHBondContact O-N 2.87Å; G290-L294 PolarHBondContact O-N 3.34Å
291	E	84.6	Confident	68.3	Low	21 Å²	21	82.7 Å²	82.7	10%	0.098	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-67.5	-25.9	180	-68.5	175.3	159.6	0	0	113.1	R221 Y223 K225 Q289 Y293 L294 F326 Y393	R221-E291 IonicContact CZ-OE1 3Å; R221-E291 IonicContact CZ-OE2 2.68Å; R221-E291 IonicContact NH1-OE1 3.24Å; R221-E291 IonicContact NH1-OE2 3.9Å; R221-E291 PolarHBondContact NH1-OE2 3.18Å; R221-E291 IonicContact NH2-OE1 2.71Å; R221-E291 PolarHBondContact NH2-OE1 3.22Å; R221-E291 IonicContact NH2-OE2 3.74Å; R221-E291 PolarHBondContact NH2-OE2 3.15Å; Y223-E291 HydrophobicContact CD1-CB 4.09Å; K225-E291 VanDerWaalsContact CE-CD 3.47Å; K225-E291 WeakPolarHBondContact CE-OE1 3.46Å; K225-E291 IonicContact NZ-OE1 2.73Å; K225-E291 PolarHBondContact NZ-OE1 2.76Å; Q289-E291 VanDerWaalsContact C-N 3.34Å; Q289-E291 PolarHBondContact O-N 2.89Å; E291-Y293 PolarHBondContact O-N 3.49Å; E291-L294 WeakPolarHBondContact O-CB 3.39Å; E291-L294 PolarHBondContact O-N 2.77Å; E291-F326 HydrophobicContact CB-CZ 4.26Å; E291-F326 WeakPolarHBondContact OE2-CE2 3.43Å; E291-F326 VanDerWaalsContact OE2-CZ 3.32Å; E291-F326 WeakPolarHBondContact OE2-CZ 3.28Å; E291-Y393 PolarHBondContact O-OH 3.05Å
292	L	81.8	Confident	71.2	Confident	9 Å²	9	80.9 Å²	80.9	5%	0.047	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-62.8	-32.4	172.5	177.1	66.6	0	0	0	111.3	Y223 F287 Q289 G290 K394 V490	Y223-L292 HydrophobicContact CD2-CB 4.12Å; Y223-L292 HydrophobicContact CD2-CD1 4.33Å; Y223-L292 HydrophobicContact CE2-CB 4.14Å; Y223-L292 HydrophobicContact CE2-CD1 3.55Å; Y223-L292 HydrophobicContact CE2-CG 4.34Å; Y223-L292 HydrophobicContact CG-CB 4.34Å; F287-L292 HydrophobicContact CD1-CD2 3.59Å; F287-L292 HydrophobicContact CE1-CD2 4.33Å; Q289-L292 WeakPolarHBondContact O-CB 3.5Å; Q289-L292 PolarHBondContact O-N 3.28Å; Q289-L292 VanDerWaalsContact O-N 3.13Å; G290-L292 VanDerWaalsContact C-N 3.29Å; G290-L292 PolarHBondContact O-N 2.68Å; L292-K394 PolarHBondContact O-NZ 2.98Å; L292-V490 HydrophobicContact CD1-CG2 4.18Å; L292-V490 HydrophobicContact CD2-CG2 4.15Å; L292-V490 HydrophobicContact CG-CG2 3.85Å
293	Y	86	Confident	74.1	Confident	59 Å²	59	74.1 Å²	74.1	23%	0.231	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-104.3	23.7	-178.5	-61.5	-85	0	0	0	113.2	F287 G290 E291 P387 V389 V490 Q526	F287-Y293 WeakPolarHBondContact O-CE2 3.37Å; F287-Y293 PolarHBondContact O-OH 2.67Å; G290-Y293 CarbonylContact O-C 3.48Å; G290-Y293 PolarHBondContact O-N 2.87Å; E291-Y293 PolarHBondContact O-N 3.49Å; Y293-P387 HydrophobicContact CD1-CG 3.66Å; Y293-P387 HydrophobicContact CE1-CG 3.79Å; Y293-V389 HydrophobicContact CD1-CG1 3.83Å; Y293-V389 HydrophobicContact CG-CG1 4.44Å; Y293-V490 HydrophobicContact CD1-CG1 4.32Å; Y293-V490 HydrophobicContact CD1-CG2 3.89Å; Y293-V490 HydrophobicContact CE1-CB 4.37Å; Y293-V490 HydrophobicContact CE1-CG1 3.84Å; Y293-V490 HydrophobicContact CE1-CG2 3.57Å; Y293-Q526 PolarHBondContact OH-NE2 2.98Å
294	L	90.1	Very high	76.8	Confident	34 Å²	34	64.7 Å²	64.7	18%	0.178	32%	0.315	C	S	.	.			trans	-57.1	144.6	176.6	-165.7	62.4	0	0	0	110.3	G290 E291 E296 F298 L307 V389 D390 Y393	G290-L294 PolarHBondContact O-N 3.34Å; E291-L294 WeakPolarHBondContact O-CB 3.39Å; E291-L294 PolarHBondContact O-N 2.77Å; L294-E296 HydrophobicContact CD1-CB 4.16Å; L294-E296 HydrophobicContact CD2-CB 4.41Å; L294-E296 HydrophobicContact CG-CB 4.03Å; L294-F298 HydrophobicContact CD2-CE2 3.6Å; L294-F298 HydrophobicContact CD2-CZ 3.87Å; L294-L307 HydrophobicContact CD2-CD1 3.81Å; L294-L307 HydrophobicContact CD2-CD2 4.03Å; L294-V389 CarbonylContact O-C 3.58Å; L294-V389 WeakPolarHBondContact O-CA 3.28Å; L294-D390 PolarHBondContact O-N 3.42Å; L294-Y393 HydrophobicContact CB-CE1 3.96Å; L294-Y393 HydrophobicContact CD2-CD1 3.87Å; L294-Y393 HydrophobicContact CD2-CE1 3.98Å; L294-Y393 HydrophobicContact CD2-CG 4.46Å
295	R	91.4	Very high	79.7	Confident	167 Å²	167	58.4 Å²	58.4	63%	0.63	29%	0.287	S	S	*	.			trans	-122.2	4.5	-179.5	-60.1	-177.9	-179.1	168.1	3.9	113	Y388	R295-Y388 HydrophobicContact CB-CD1 4.07Å; R295-Y388 HydrophobicContact CB-CE1 4.08Å; R295-Y388 HydrophobicContact CG-CD1 3.9Å; R295-Y388 HydrophobicContact CG-CE1 4.38Å
296	E	92.1	Very high	82.1	Confident	75 Å²	75	59.2 Å²	59.2	35%	0.35	28%	0.283	S	S	.	.			trans	-80.8	125.6	178.6	-175.9	172.2	-153.6	0	0	108.4	L294 F298 R306 D390	L294-E296 HydrophobicContact CD1-CB 4.16Å; L294-E296 HydrophobicContact CD2-CB 4.41Å; L294-E296 HydrophobicContact CG-CB 4.03Å; E296-F298 HydrophobicContact CB-CE2 3.93Å; E296-F298 HydrophobicContact CB-CZ 4.22Å; E296-F298 HydrophobicContact CG-CE2 3.9Å; E296-F298 HydrophobicContact CG-CZ 3.86Å; E296-F298 VanDerWaalsContact O-CD2 3.31Å; E296-F298 WeakPolarHBondContact O-CD2 3.33Å; E296-F298 VanDerWaalsContact O-CE2 3.23Å; E296-F298 WeakPolarHBondContact O-CE2 3.06Å; E296-F298 WeakPolarHBondContact OE2-CZ 3.35Å; E296-R306 VanDerWaalsContact CD-NH1 3.34Å; E296-R306 VanDerWaalsContact CD-NH2 3.32Å; E296-R306 IonicContact OE1-CZ 2.63Å; E296-R306 IonicContact OE1-NH1 2.79Å; E296-R306 PolarHBondContact OE1-NH1 2.97Å; E296-R306 IonicContact OE1-NH2 3.19Å; E296-R306 PolarHBondContact OE1-NH2 3.25Å; E296-R306 IonicContact OE2-NH1 2.79Å; E296-R306 PolarHBondContact OE2-NH1 2.7Å; E296-R306 IonicContact OE2-NH2 2.73Å; E296-D390 WeakPolarHBondContact O-CB 3.45Å
297	K	92.9	Very high	84.5	Confident	100 Å²	100	56.4 Å²	56.4	44%	0.435	27%	0.268	S	S	.	.			trans	-83.1	138	172.1	-168.9	173.3	-173.9	173.2	0	108.6	E363 E365 D390	K297-E363 IonicContact NZ-OE1 2.79Å; K297-E363 PolarHBondContact NZ-OE1 3.39Å; K297-E365 IonicContact NZ-OE2 3.87Å; K297-D390 WeakPolarHBondContact CB-OD2 3.41Å
298	F	93.1	Very high	86.8	Confident	3 Å²	3	53.7 Å²	53.7	1%	0.013	26%	0.256	C	S	.	.			trans	-112.9	140	176.6	-64.5	-96.7	0	0	0	109.3	L294 E296 N300 E303 R306 L307 S392 Y393	L294-F298 HydrophobicContact CD2-CE2 3.6Å; L294-F298 HydrophobicContact CD2-CZ 3.87Å; E296-F298 HydrophobicContact CB-CE2 3.93Å; E296-F298 HydrophobicContact CB-CZ 4.22Å; E296-F298 HydrophobicContact CG-CE2 3.9Å; E296-F298 HydrophobicContact CG-CZ 3.86Å; E296-F298 VanDerWaalsContact O-CD2 3.31Å; E296-F298 WeakPolarHBondContact O-CD2 3.33Å; E296-F298 VanDerWaalsContact O-CE2 3.23Å; E296-F298 WeakPolarHBondContact O-CE2 3.06Å; E296-F298 WeakPolarHBondContact OE2-CZ 3.35Å; F298-N300 VanDerWaalsContact C-N 3.33Å; F298-N300 PolarHBondContact O-N 2.81Å; F298-E303 WeakPolarHBondContact CA-OE2 3.32Å; F298-E303 WeakPolarHBondContact CD1-OE1 3.44Å; F298-R306 HydrophobicContact CE1-CG 4.38Å; F298-R306 VanDerWaalsContact CE1-CZ 3.42Å; F298-R306 VanDerWaalsContact CE1-NH2 3.34Å; F298-L307 HydrophobicContact CE1-CD1 4.23Å; F298-L307 HydrophobicContact CE1-CD2 4.49Å; F298-L307 HydrophobicContact CE1-CG 4.15Å; F298-L307 HydrophobicContact CE2-CD1 4.18Å; F298-L307 HydrophobicContact CZ-CD1 3.71Å; F298-L307 HydrophobicContact CZ-CD2 3.95Å; F298-L307 HydrophobicContact CZ-CG 3.89Å; F298-S392 PolarHBondContact N-OG 2.65Å; F298-Y393 HydrophobicContact CE2-CD1 4.41Å
299	E	88.6	Confident	89	Confident	161 Å²	161	51.2 Å²	51.2	75%	0.752	24%	0.244	S	C	*	.	S	Bend	trans	-72	-28.8	-177	-71.7	-62.5	144.4	0	0	112.7	E303	E299-E303 PolarHBondContact N-OE2 2.65Å
300	N	87.3	Confident	90.7	Very high	61 Å²	61	56 Å²	56	33%	0.326	27%	0.27	S	S	.	.	S	Bend	trans	-164.5	172.1	-179.5	55.5	75.8	0	0	0	112	F298 I302 E303 S304	F298-N300 VanDerWaalsContact C-N 3.33Å; F298-N300 PolarHBondContact O-N 2.81Å; N300-I302 VanDerWaalsContact C-N 3.33Å; N300-I302 PolarHBondContact O-N 2.77Å; N300-I302 WeakPolarHBondContact OD1-CB 3.47Å; N300-I302 PolarHBondContact OD1-N 3.32Å; N300-E303 PolarHBondContact O-N 2.76Å; N300-E303 PolarHBondContact OD1-N 3.18Å; N300-S304 PolarHBondContact O-N 2.14Å
301	S	89.4	Confident	91.7	Very high	4 Å²	4	55.3 Å²	55.3	3%	0.028	25%	0.252	C	S	.	.	H	α-helix	trans	-60.8	-40.4	-178.3	-46	0	0	0	0	112.4	S304 A332 E336	S301-S304 PolarHBondContact O-N 2.99Å; S301-S304 PolarHBondContact O-OG 3.34Å; S301-A332 WeakPolarHBondContact OG-CB 3.43Å; S301-E336 WeakPolarHBondContact CB-OE1 3.41Å; S301-E336 VanDerWaalsContact CB-OE2 3.31Å; S301-E336 WeakPolarHBondContact CB-OE2 3.47Å; S301-E336 VanDerWaalsContact OG-CD 3.28Å; S301-E336 PolarHBondContact OG-OE1 3.14Å
302	I	91.7	Very high	92.3	Very high	36 Å²	36	58 Å²	58	19%	0.185	27%	0.271	C	S	.	.	H	α-helix	trans	-65.5	-43.4	-177.9	-59.8	163.9	0	0	0	111.5	E195 N300 S304 L305 A333 R337	E195-I302 HydrophobicContact CB-CG2 4.47Å; E195-I302 HydrophobicContact CG-CG2 4.21Å; N300-I302 VanDerWaalsContact C-N 3.33Å; N300-I302 PolarHBondContact O-N 2.77Å; N300-I302 WeakPolarHBondContact OD1-CB 3.47Å; N300-I302 PolarHBondContact OD1-N 3.32Å; I302-S304 VanDerWaalsContact C-N 3.31Å; I302-S304 PolarHBondContact O-N 3.01Å; I302-L305 HydrophobicContact CG2-CD1 4.43Å; I302-L305 VanDerWaalsContact O-CB 3.27Å; I302-L305 WeakPolarHBondContact O-CB 3.44Å; I302-L305 VanDerWaalsContact O-CG 3.25Å; I302-L305 WeakPolarHBondContact O-CG 3.49Å; I302-L305 PolarHBondContact O-N 2.85Å; I302-A333 HydrophobicContact CG1-CB 3.78Å; I302-R337 HydrophobicContact CD1-CG 4.41Å
303	E	93.8	Very high	93	Very high	59 Å²	59	58 Å²	58	28%	0.276	27%	0.271	S	S	.	.	H	α-helix	trans	-60.4	-43.7	178.2	-166.1	-122.3	130.6	0	0	111	F298 E299 N300 L305 R306	F298-E303 WeakPolarHBondContact CA-OE2 3.32Å; F298-E303 WeakPolarHBondContact CD1-OE1 3.44Å; E299-E303 PolarHBondContact N-OE2 2.65Å; N300-E303 PolarHBondContact O-N 2.76Å; N300-E303 PolarHBondContact OD1-N 3.18Å; E303-L305 PolarHBondContact O-N 2.95Å; E303-L305 VanDerWaalsContact O-N 3.11Å; E303-R306 VanDerWaalsContact O-CG 3.28Å; E303-R306 WeakPolarHBondContact O-CG 3.47Å; E303-R306 PolarHBondContact O-N 2.73Å; E303-R306 VanDerWaalsContact O-N 3.13Å; E303-R306 IonicContact OE1-CZ 2.84Å; E303-R306 IonicContact OE1-NE 3.56Å; E303-R306 PolarHBondContact OE1-NE 3.01Å; E303-R306 IonicContact OE1-NH2 3.81Å; E303-R306 PolarHBondContact OE1-NH2 2.67Å
304	S	94.6	Very high	93.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-15.6	-179.1	80.3	0	0	0	0	115.1	N300 S301 I302 R306 L307 T329	N300-S304 PolarHBondContact O-N 2.14Å; S301-S304 PolarHBondContact O-N 2.99Å; S301-S304 PolarHBondContact O-OG 3.34Å; I302-S304 VanDerWaalsContact C-N 3.31Å; I302-S304 PolarHBondContact O-N 3.01Å; S304-R306 PolarHBondContact O-N 2.86Å; S304-R306 VanDerWaalsContact O-N 3.1Å; S304-L307 WeakPolarHBondContact O-CB 3.16Å; S304-L307 WeakPolarHBondContact O-CG 3.37Å; S304-L307 PolarHBondContact O-N 2.92Å; S304-L307 VanDerWaalsContact O-N 3.15Å; S304-T329 WeakPolarHBondContact OG-CG2 3.21Å
305	L	96.1	Very high	93.6	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-58.4	-23.4	172.2	-57.2	177.4	0	0	0	112.2	V193 I302 E303 L307 F308 K309 T329 L330 A333	V193-L305 HydrophobicContact CG1-CD1 3.54Å; I302-L305 HydrophobicContact CG2-CD1 4.43Å; I302-L305 VanDerWaalsContact O-CB 3.27Å; I302-L305 WeakPolarHBondContact O-CB 3.44Å; I302-L305 VanDerWaalsContact O-CG 3.25Å; I302-L305 WeakPolarHBondContact O-CG 3.49Å; I302-L305 PolarHBondContact O-N 2.85Å; E303-L305 PolarHBondContact O-N 2.95Å; E303-L305 VanDerWaalsContact O-N 3.11Å; L305-L307 PolarHBondContact O-N 2.92Å; L305-F308 HydrophobicContact CD2-CE1 3.83Å; L305-F308 HydrophobicContact CD2-CZ 3.57Å; L305-F308 PolarHBondContact O-N 2.73Å; L305-K309 HydrophobicContact CB-CB 4.21Å; L305-K309 HydrophobicContact CB-CD 4.14Å; L305-K309 WeakPolarHBondContact O-CB 3.32Å; L305-K309 WeakPolarHBondContact O-CG 3.33Å; L305-K309 PolarHBondContact O-N 2.91Å; L305-T329 HydrophobicContact CD2-CG2 4.15Å; L305-L330 HydrophobicContact CD1-CD1 4.1Å; L305-L330 HydrophobicContact CD2-CB 4.15Å; L305-L330 HydrophobicContact CD2-CD1 3.96Å; L305-A333 HydrophobicContact CD1-CB 4.22Å
306	R	95.5	Very high	93.9	Very high	116 Å²	116	50.2 Å²	50.2	44%	0.438	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-55.8	-22.9	175.8	72.6	-176.7	160.4	93.2	-11	114.2	E296 F298 E303 S304 F308	E296-R306 VanDerWaalsContact CD-NH1 3.34Å; E296-R306 VanDerWaalsContact CD-NH2 3.32Å; E296-R306 IonicContact OE1-CZ 2.63Å; E296-R306 IonicContact OE1-NH1 2.79Å; E296-R306 PolarHBondContact OE1-NH1 2.97Å; E296-R306 IonicContact OE1-NH2 3.19Å; E296-R306 PolarHBondContact OE1-NH2 3.25Å; E296-R306 IonicContact OE2-NH1 2.79Å; E296-R306 PolarHBondContact OE2-NH1 2.7Å; E296-R306 IonicContact OE2-NH2 2.73Å; F298-R306 HydrophobicContact CE1-CG 4.38Å; F298-R306 VanDerWaalsContact CE1-CZ 3.42Å; F298-R306 VanDerWaalsContact CE1-NH2 3.34Å; E303-R306 VanDerWaalsContact O-CG 3.28Å; E303-R306 WeakPolarHBondContact O-CG 3.47Å; E303-R306 PolarHBondContact O-N 2.73Å; E303-R306 VanDerWaalsContact O-N 3.13Å; E303-R306 IonicContact OE1-CZ 2.84Å; E303-R306 IonicContact OE1-NE 3.56Å; E303-R306 PolarHBondContact OE1-NE 3.01Å; E303-R306 IonicContact OE1-NH2 3.81Å; E303-R306 PolarHBondContact OE1-NH2 2.67Å; S304-R306 PolarHBondContact O-N 2.86Å; S304-R306 VanDerWaalsContact O-N 3.1Å; R306-F308 VanDerWaalsContact C-N 3.29Å; R306-F308 PolarHBondContact O-N 3.39Å
307	L	94.6	Very high	94.1	Very high	24 Å²	24	47.7 Å²	47.7	13%	0.126	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-65.5	-27.3	177.1	-68.3	175.1	0	0	0	114	R221 L294 F298 S304 L305 F326 Y393	R221-L307 PolarHBondContact NH2-O 2.88Å; R221-L307 VanDerWaalsContact NH2-O 3.07Å; L294-L307 HydrophobicContact CD2-CD1 3.81Å; L294-L307 HydrophobicContact CD2-CD2 4.03Å; F298-L307 HydrophobicContact CE1-CD1 4.23Å; F298-L307 HydrophobicContact CE1-CD2 4.49Å; F298-L307 HydrophobicContact CE1-CG 4.15Å; F298-L307 HydrophobicContact CE2-CD1 4.18Å; F298-L307 HydrophobicContact CZ-CD1 3.71Å; F298-L307 HydrophobicContact CZ-CD2 3.95Å; F298-L307 HydrophobicContact CZ-CG 3.89Å; S304-L307 WeakPolarHBondContact O-CB 3.16Å; S304-L307 WeakPolarHBondContact O-CG 3.37Å; S304-L307 PolarHBondContact O-N 2.92Å; S304-L307 VanDerWaalsContact O-N 3.15Å; L305-L307 PolarHBondContact O-N 2.92Å; L307-F326 HydrophobicContact CB-CE1 4.13Å; L307-F326 HydrophobicContact CD1-CE1 4.06Å; L307-Y393 HydrophobicContact CD1-CD1 4.49Å; L307-Y393 HydrophobicContact CD1-CD2 3.85Å; L307-Y393 HydrophobicContact CD1-CG 3.8Å
308	F	95.8	Very high	94.3	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.018	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-147.8	-9	-171.8	71.7	-83.1	0	0	0	116.2	F196 I220 L305 R306 N310 D311 F326 T329 L330	F196-F308 HydrophobicContact CE2-CD2 4.16Å; F196-F308 AromaticContact CE2-CE2 3.68Å; F196-F308 HydrophobicContact CE2-CE2 3.68Å; F196-F308 HydrophobicContact CZ-CE2 4.47Å; I220-F308 HydrophobicContact CD1-CE2 4.3Å; I220-F308 HydrophobicContact CG2-CD2 3.72Å; I220-F308 HydrophobicContact CG2-CE2 3.99Å; L305-F308 HydrophobicContact CD2-CE1 3.83Å; L305-F308 HydrophobicContact CD2-CZ 3.57Å; L305-F308 PolarHBondContact O-N 2.73Å; R306-F308 VanDerWaalsContact C-N 3.29Å; R306-F308 PolarHBondContact O-N 3.39Å; F308-N310 PolarHBondContact O-N 2.83Å; F308-N310 VanDerWaalsContact O-N 3.12Å; F308-D311 VanDerWaalsContact CA-OD2 3.28Å; F308-D311 WeakPolarHBondContact CA-OD2 3.27Å; F308-D311 WeakPolarHBondContact O-CB 3.48Å; F308-D311 PolarHBondContact O-N 2.79Å; F308-F326 HydrophobicContact CB-CB 4.41Å; F308-F326 HydrophobicContact CB-CD1 4.42Å; F308-F326 HydrophobicContact CB-CD2 4.45Å; F308-F326 HydrophobicContact CB-CG 4.19Å; F308-F326 HydrophobicContact CD1-CB 3.72Å; F308-F326 AromaticContact CD1-CD1 3.39Å; F308-F326 HydrophobicContact CD1-CD1 3.39Å; F308-F326 HydrophobicContact CD1-CE1 4.18Å; F308-F326 AromaticContact CD1-CG 3.71Å; F308-F326 HydrophobicContact CD1-CG 3.71Å; F308-F326 HydrophobicContact CD2-CB 3.87Å; F308-F326 HydrophobicContact CE1-CB 3.85Å; F308-F326 AromaticContact CE1-CD1 3.82Å; F308-F326 HydrophobicContact CE1-CD1 3.82Å; F308-F326 HydrophobicContact CE1-CG 4.21Å; F308-F326 HydrophobicContact CE2-CB 3.99Å; F308-F326 HydrophobicContact CG-CB 3.72Å; F308-F326 HydrophobicContact CG-CD1 4.04Å; F308-F326 AromaticContact CG-CG 3.89Å; F308-F326 HydrophobicContact CG-CG 3.89Å; F308-F326 HydrophobicContact CZ-CB 3.98Å; F308-F326 WeakPolarHBondContact CZ-O 3.21Å; F308-T329 HydrophobicContact CE1-CG2 3.94Å; F308-T329 HydrophobicContact CZ-CG2 4.48Å; F308-L330 HydrophobicContact CZ-CB 4.16Å
309	K	96.1	Very high	94.4	Very high	57 Å²	57	46.8 Å²	46.8	25%	0.248	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.8	-172.4	71.4	-178.6	-161.7	161.8	0	114	E195 F196 P197 K199 L305	E195-K309 WeakPolarHBondContact O-CD 3.49Å; E195-K309 PolarHBondContact O-NZ 3.5Å; F196-K309 HydrophobicContact CD2-CB 3.77Å; F196-K309 HydrophobicContact CE2-CB 4Å; P197-K309 WeakPolarHBondContact CD-O 3.38Å; P197-K309 WeakPolarHBondContact CG-O 3.47Å; K199-K309 PolarHBondContact NZ-O 3.44Å; L305-K309 HydrophobicContact CB-CB 4.21Å; L305-K309 HydrophobicContact CB-CD 4.14Å; L305-K309 WeakPolarHBondContact O-CB 3.32Å; L305-K309 WeakPolarHBondContact O-CG 3.33Å; L305-K309 PolarHBondContact O-N 2.91Å
310	N	95.9	Very high	94.6	Very high	127 Å²	127	42.9 Å²	42.9	68%	0.679	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	-4.7	177.4	-65	-15.4	0	0	0	113.4	F308	F308-N310 PolarHBondContact O-N 2.83Å; F308-N310 VanDerWaalsContact O-N 3.12Å
311	D	95.4	Very high	95	Very high	45 Å²	45	40.9 Å²	40.9	24%	0.241	21%	0.213	C	C	.	.	S	Bend	trans	-72.3	145.5	-178.1	-65.6	-28.8	0	0	0	111.3	K199 R221 F308	K199-D311 PolarHBondContact NZ-O 2.98Å; R221-D311 IonicContact CZ-OD2 3.58Å; R221-D311 IonicContact NE-OD2 2.9Å; R221-D311 PolarHBondContact NE-OD2 3.16Å; R221-D311 IonicContact NH2-OD2 2.78Å; R221-D311 PolarHBondContact NH2-OD2 3.11Å; F308-D311 VanDerWaalsContact CA-OD2 3.28Å; F308-D311 WeakPolarHBondContact CA-OD2 3.27Å; F308-D311 WeakPolarHBondContact O-CB 3.48Å; F308-D311 PolarHBondContact O-N 2.79Å
312	P	95.5	Very high	95.3	Very high	76 Å²	76	41.8 Å²	41.8	49%	0.494	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-66.1	152.4	175	29.5	-36.8	0	0	0	111.3	I227	I227-P312 HydrophobicContact CD1-CG 3.84Å
313	L	96.6	Very high	95.4	Very high	9 Å²	9	42.7 Å²	42.7	5%	0.047	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-73.9	135.7	170.7	-59.3	-177.4	0	0	0	109.9	K199 Y201 V206 V208 I220 F315 P317	K199-L313 HydrophobicContact CB-CD1 3.74Å; K199-L313 HydrophobicContact CB-CG 4.18Å; K199-L313 HydrophobicContact CD-CD2 4.3Å; K199-L313 HydrophobicContact CD-CG 4.22Å; K199-L313 HydrophobicContact CG-CD1 4.06Å; K199-L313 HydrophobicContact CG-CD2 4.24Å; K199-L313 HydrophobicContact CG-CG 4.14Å; Y201-L313 HydrophobicContact CD2-CB 4.32Å; V206-L313 HydrophobicContact CG2-CD1 3.81Å; V208-L313 HydrophobicContact CG2-CD1 4.22Å; I220-L313 HydrophobicContact CG1-CD2 3.81Å; L313-F315 VanDerWaalsContact C-N 3.3Å; L313-P317 HydrophobicContact CD1-CG 3.68Å
314	F	95.6	Very high	95.6	Very high	3 Å²	3	39.9 Å²	39.9	1%	0.013	21%	0.206	C	C	.	.	S	Bend	trans	-75	-26.4	-178.4	-81	37.8	0	0	0	111.7	G219 R221 I227 V230 K231 L322	G219-F314 PolarHBondContact O-N 3.08Å; R221-F314 HydrophobicContact CB-CD1 3.87Å; R221-F314 HydrophobicContact CB-CE1 3.46Å; R221-F314 VanDerWaalsContact CB-CE1 3.46Å; R221-F314 HydrophobicContact CB-CE2 4.18Å; R221-F314 HydrophobicContact CB-CG 4.42Å; R221-F314 HydrophobicContact CB-CZ 3.63Å; R221-F314 HydrophobicContact CG-CE1 4.24Å; I227-F314 HydrophobicContact CB-CD2 4.45Å; I227-F314 HydrophobicContact CB-CE2 4.33Å; I227-F314 HydrophobicContact CB-CZ 4.37Å; I227-F314 HydrophobicContact CD1-CD1 4.46Å; I227-F314 HydrophobicContact CD1-CE1 4.36Å; I227-F314 HydrophobicContact CG1-CD1 3.76Å; I227-F314 HydrophobicContact CG1-CD2 4.31Å; I227-F314 HydrophobicContact CG1-CE1 3.48Å; I227-F314 VanDerWaalsContact CG1-CE1 3.48Å; I227-F314 HydrophobicContact CG1-CE2 4.09Å; I227-F314 HydrophobicContact CG1-CG 4.17Å; I227-F314 HydrophobicContact CG1-CZ 3.67Å; I227-F314 HydrophobicContact CG2-CD2 4.42Å; I227-F314 HydrophobicContact CG2-CG 4.4Å; V230-F314 HydrophobicContact CB-CD2 3.87Å; V230-F314 HydrophobicContact CB-CE2 3.8Å; V230-F314 HydrophobicContact CG1-CD2 3.89Å; V230-F314 HydrophobicContact CG1-CE2 4.24Å; V230-F314 HydrophobicContact CG2-CD2 4.22Å; V230-F314 HydrophobicContact CG2-CE2 3.7Å; K231-F314 WeakPolarHBondContact CE-O 3.5Å; K231-F314 PolarHBondContact NZ-O 3.33Å; F314-L322 HydrophobicContact CB-CD2 3.96Å; F314-L322 HydrophobicContact CD2-CD2 4.14Å; F314-L322 HydrophobicContact CG-CD2 4.18Å
315	F	94.6	Very high	95.6	Very high	8 Å²	8	40 Å²	40	4%	0.035	21%	0.207	C	C	.	.	S	Bend	trans	-146.5	155	-178	-53.4	-72.2	0	0	0	109.5	V230 K231 K234 L313 Q320 L322	V230-F315 HydrophobicContact CG1-CE2 4.42Å; K231-F315 HydrophobicContact CD-CE1 4.33Å; K231-F315 HydrophobicContact CG-CE1 3.81Å; K231-F315 HydrophobicContact CG-CZ 3.91Å; K234-F315 HydrophobicContact CD-CE1 4.39Å; K234-F315 HydrophobicContact CD-CE2 3.92Å; K234-F315 HydrophobicContact CD-CZ 3.55Å; L313-F315 VanDerWaalsContact C-N 3.3Å; F315-Q320 HydrophobicContact CB-CB 4.29Å; F315-Q320 HydrophobicContact CB-CG 4.45Å; F315-Q320 HydrophobicContact CD1-CB 4.42Å; F315-Q320 HydrophobicContact CD1-CG 4.14Å; F315-Q320 HydrophobicContact CD2-CB 4.35Å; F315-Q320 HydrophobicContact CG-CB 4.08Å; F315-Q320 HydrophobicContact CG-CG 4.24Å; F315-L322 HydrophobicContact CD2-CB 4.37Å; F315-L322 HydrophobicContact CD2-CD2 4.2Å; F315-L322 HydrophobicContact CE2-CB 4.41Å; F315-L322 HydrophobicContact CE2-CD2 4.04Å
316	K	96.5	Very high	95.6	Very high	87 Å²	87	40 Å²	40	38%	0.378	21%	0.207	S	C	.	.			trans	-58.6	133.4	171.7	-170.7	159.3	-177	163.4	0	109.7	Y201 E204 V206 G318 S319	Y201-K316 HydrophobicContact CD1-CB 3.72Å; Y201-K316 HydrophobicContact CD1-CD 4.45Å; Y201-K316 HydrophobicContact CD1-CG 4.34Å; Y201-K316 HydrophobicContact CE1-CB 4Å; Y201-K316 HydrophobicContact CG-CB 4.19Å; E204-K316 IonicContact OE2-NZ 2.73Å; E204-K316 PolarHBondContact OE2-NZ 2.89Å; V206-K316 HydrophobicContact CG1-CG 4.28Å; K316-G318 PolarHBondContact O-N 3Å; K316-S319 PolarHBondContact N-OG 3.35Å; K316-S319 VanDerWaalsContact O-CB 3.27Å; K316-S319 WeakPolarHBondContact O-CB 3.46Å; K316-S319 PolarHBondContact O-N 2.79Å; K316-S319 PolarHBondContact O-OG 2.95Å
317	P	97.3	Very high	95.8	Very high	22 Å²	22	34.5 Å²	34.5	14%	0.143	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	138.1	178.2	-27.3	34.7	0	0	0	112.2	V206 S207 V208 L212 L217 L313 S319	V206-P317 HydrophobicContact CB-CG 4.14Å; V206-P317 HydrophobicContact CG2-CG 4.03Å; S207-P317 WeakPolarHBondContact O-CB 3.49Å; S207-P317 WeakPolarHBondContact O-CG 3.45Å; V208-P317 HydrophobicContact CG2-CB 4.45Å; V208-P317 HydrophobicContact CG2-CG 3.9Å; L212-P317 HydrophobicContact CD1-CB 3.85Å; L217-P317 CarbonylContact O-C 3.57Å; L217-P317 WeakPolarHBondContact O-CA 3.45Å; L313-P317 HydrophobicContact CD1-CG 3.68Å; P317-S319 PolarHBondContact O-N 3.38Å
318	G	96.1	Very high	95.9	Very high	28 Å²	28	33.4 Å²	33.4	29%	0.289	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	-16.8	-175.2	0	0	0	0	0	115.7	L217 K316	L217-G318 PolarHBondContact O-N 3.13Å; K316-G318 PolarHBondContact O-N 3Å
319	S	94.9	Very high	96	Very high	56 Å²	56	33.3 Å²	33.3	39%	0.392	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-33	-172.1	69.9	0	0	0	0	115	K316 P317	K316-S319 PolarHBondContact N-OG 3.35Å; K316-S319 VanDerWaalsContact O-CB 3.27Å; K316-S319 WeakPolarHBondContact O-CB 3.46Å; K316-S319 PolarHBondContact O-N 2.79Å; K316-S319 PolarHBondContact O-OG 2.95Å; P317-S319 PolarHBondContact O-N 3.38Å
320	Q	94.3	Very high	96.2	Very high	78 Å²	78	30.6 Å²	30.6	36%	0.364	17%	0.168	S	C	.	.	S	Bend	trans	-149.8	142.8	-176.9	-58	-170	21.5	0	0	112.4	F315	F315-Q320 HydrophobicContact CB-CB 4.29Å; F315-Q320 HydrophobicContact CB-CG 4.45Å; F315-Q320 HydrophobicContact CD1-CB 4.42Å; F315-Q320 HydrophobicContact CD1-CG 4.14Å; F315-Q320 HydrophobicContact CD2-CB 4.35Å; F315-Q320 HydrophobicContact CG-CB 4.08Å; F315-Q320 HydrophobicContact CG-CG 4.24Å
321	F	95.1	Very high	96.3	Very high	20 Å²	20	24.5 Å²	24.5	9%	0.088	14%	0.136	C	C	.	.			trans	-68.4	129.7	168.7	-177.3	-97.6	0	0	0	112.2	H216 L217 K234 Y323 N449 T450 E451 Y460	H216-F321 HydrophobicContact CB-CD2 3.84Å; H216-F321 HydrophobicContact CB-CE2 3.63Å; H216-F321 HydrophobicContact CB-CZ 4.27Å; H216-F321 AromaticContact CD2-CE2 3.94Å; H216-F321 WeakPolarHBondContact O-CA 3.45Å; L217-F321 HydrophobicContact CD2-CB 4.26Å; K234-F321 WeakPolarHBondContact CE-O 3.18Å; K234-F321 PolarHBondContact NZ-O 3.22Å; F321-Y323 HydrophobicContact CZ-CD2 4.47Å; F321-N449 WeakPolarHBondContact CB-O 3.41Å; F321-T450 HydrophobicContact CD2-CG2 3.77Å; F321-T450 HydrophobicContact CE2-CG2 4.33Å; F321-E451 HydrophobicContact CD1-CG 3.37Å; F321-E451 HydrophobicContact CE1-CG 3.67Å; F321-E451 WeakPolarHBondContact CE1-O 3.4Å; F321-E451 HydrophobicContact CG-CG 4.19Å; F321-E451 VanDerWaalsContact CZ-O 3.32Å; F321-E451 WeakPolarHBondContact CZ-O 3.2Å; F321-Y460 HydrophobicContact CE2-CD1 4.07Å; F321-Y460 HydrophobicContact CE2-CD2 4.47Å; F321-Y460 AromaticContact CE2-CG 3.81Å; F321-Y460 HydrophobicContact CE2-CG 3.81Å; F321-Y460 HydrophobicContact CZ-CD2 4.4Å; F321-Y460 HydrophobicContact CZ-CG 4.18Å
322	L	95.3	Very high	96.4	Very high	22 Å²	22	22.6 Å²	22.6	12%	0.115	13%	0.126	C	C	.	.			trans	-145.6	101.3	170.7	178.7	65.4	0	0	0	108.4	H216 V230 F314 F315 S324	H216-L322 PolarHBondContact O-N 2.95Å; V230-L322 HydrophobicContact CG1-CD1 3.83Å; F314-L322 HydrophobicContact CB-CD2 3.96Å; F314-L322 HydrophobicContact CD2-CD2 4.14Å; F314-L322 HydrophobicContact CG-CD2 4.18Å; F315-L322 HydrophobicContact CD2-CB 4.37Å; F315-L322 HydrophobicContact CD2-CD2 4.2Å; F315-L322 HydrophobicContact CE2-CB 4.41Å; F315-L322 HydrophobicContact CE2-CD2 4.04Å; L322-S324 PolarHBondContact O-N 3.12Å
323	Y	94.9	Very high	96.5	Very high	55 Å²	55	19 Å²	19	22%	0.216	10%	0.102	C	C	.	.			trans	-53.3	120.9	179.8	-171.5	-95.4	0	0	0	111.7	S164 K167 H216 H222 F321 H485	S164-Y323 WeakPolarHBondContact CB-OH 3.46Å; S164-Y323 PolarHBondContact OG-OH 3.5Å; K167-Y323 HydrophobicContact CD-CE2 4.26Å; K167-Y323 WeakPolarHBondContact CE-OH 3.48Å; K167-Y323 PolarHBondContact NZ-OH 3.14Å; H216-Y323 AromaticContact CD2-CD2 3.68Å; H216-Y323 AromaticContact CE1-CD2 3.63Å; H216-Y323 AromaticContact CE1-CE2 3.71Å; H216-Y323 AromaticContact CG-CD2 3.98Å; H216-Y323 AromaticContact ND1-CD2 3.94Å; H216-Y323 AromaticContact NE2-CD2 3.46Å; H216-Y323 WeakPolarHBondContact NE2-CD2 3.1Å; H216-Y323 AromaticContact NE2-CE2 3.46Å; H216-Y323 WeakPolarHBondContact NE2-CE2 3.33Å; H222-Y323 WeakPolarHBondContact CB-O 3.46Å; H222-Y323 AromaticContact NE2-CD1 3.92Å; F321-Y323 HydrophobicContact CZ-CD2 4.47Å; Y323-H485 AromaticContact CE2-NE2 3.79Å; Y323-H485 AromaticContact CZ-CE1 3.97Å; Y323-H485 PolarHBondContact OH-CE1 3.2Å
324	S	96.2	Very high	96.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.1	C	C	.	.			trans	-133.4	119.1	-175.8	-177.1	0	0	0	0	112.2	H216 I220 R221 L322 F326 G327	H216-S324 PolarHBondContact ND1-N 3Å; I220-S324 WeakPolarHBondContact O-CB 3.39Å; R221-S324 WeakPolarHBondContact O-CB 3.19Å; R221-S324 PolarHBondContact O-OG 3.11Å; L322-S324 PolarHBondContact O-N 3.12Å; S324-F326 PolarHBondContact OG-N 3.33Å; S324-G327 PolarHBondContact OG-N 3Å
325	T	95.6	Very high	96.8	Very high	4 Å²	4	18.4 Å²	18.4	3%	0.025	10%	0.099	C	C	.	.	H	α-helix	trans	-71.8	-32.2	166	-70.9	0	0	0	0	111.7	K167 H222 G327 Y328 T329 K394	K167-T325 PolarHBondContact NZ-OG1 3.15Å; K167-T325 VanDerWaalsContact NZ-OG1 3.15Å; H222-T325 PolarHBondContact CE1-OG1 3.32Å; H222-T325 VanDerWaalsContact CE1-OG1 3.3Å; T325-G327 VanDerWaalsContact C-N 3.31Å; T325-G327 PolarHBondContact O-N 3.3Å; T325-Y328 WeakPolarHBondContact O-CA 3.37Å; T325-Y328 WeakPolarHBondContact O-CB 3.32Å; T325-Y328 PolarHBondContact O-N 3.41Å; T325-T329 PolarHBondContact O-N 2.78Å; T325-T329 PolarHBondContact O-OG1 3.28Å; T325-K394 HydrophobicContact CG2-CB 3.62Å; T325-K394 HydrophobicContact CG2-CD 4.07Å; T325-K394 HydrophobicContact CG2-CG 4.46Å
326	F	96.9	Very high	96.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.2	-31.4	175.4	-69.2	-57.6	0	0	0	112.7	I220 Y223 E291 L307 F308 S324 Y328 T329 L330 Y393	I220-F326 HydrophobicContact CG2-CB 4.13Å; Y223-F326 AromaticContact CD1-CE2 3.89Å; Y223-F326 HydrophobicContact CD1-CE2 3.89Å; Y223-F326 HydrophobicContact CD1-CZ 4.04Å; Y223-F326 HydrophobicContact CE1-CE2 4.44Å; Y223-F326 HydrophobicContact CE1-CZ 4.36Å; E291-F326 HydrophobicContact CB-CZ 4.26Å; E291-F326 WeakPolarHBondContact OE2-CE2 3.43Å; E291-F326 VanDerWaalsContact OE2-CZ 3.32Å; E291-F326 WeakPolarHBondContact OE2-CZ 3.28Å; L307-F326 HydrophobicContact CB-CE1 4.13Å; L307-F326 HydrophobicContact CD1-CE1 4.06Å; F308-F326 HydrophobicContact CB-CB 4.41Å; F308-F326 HydrophobicContact CB-CD1 4.42Å; F308-F326 HydrophobicContact CB-CD2 4.45Å; F308-F326 HydrophobicContact CB-CG 4.19Å; F308-F326 HydrophobicContact CD1-CB 3.72Å; F308-F326 AromaticContact CD1-CD1 3.39Å; F308-F326 HydrophobicContact CD1-CD1 3.39Å; F308-F326 HydrophobicContact CD1-CE1 4.18Å; F308-F326 AromaticContact CD1-CG 3.71Å; F308-F326 HydrophobicContact CD1-CG 3.71Å; F308-F326 HydrophobicContact CD2-CB 3.87Å; F308-F326 HydrophobicContact CE1-CB 3.85Å; F308-F326 AromaticContact CE1-CD1 3.82Å; F308-F326 HydrophobicContact CE1-CD1 3.82Å; F308-F326 HydrophobicContact CE1-CG 4.21Å; F308-F326 HydrophobicContact CE2-CB 3.99Å; F308-F326 HydrophobicContact CG-CB 3.72Å; F308-F326 HydrophobicContact CG-CD1 4.04Å; F308-F326 AromaticContact CG-CG 3.89Å; F308-F326 HydrophobicContact CG-CG 3.89Å; F308-F326 HydrophobicContact CZ-CB 3.98Å; F308-F326 WeakPolarHBondContact CZ-O 3.21Å; S324-F326 PolarHBondContact OG-N 3.33Å; F326-Y328 PolarHBondContact O-N 3.25Å; F326-T329 VanDerWaalsContact O-CB 3.31Å; F326-T329 WeakPolarHBondContact O-CB 3.4Å; F326-T329 PolarHBondContact O-N 2.96Å; F326-T329 VanDerWaalsContact O-N 3.14Å; F326-L330 PolarHBondContact O-N 2.9Å; F326-Y393 HydrophobicContact CD1-CD2 4.38Å; F326-Y393 HydrophobicContact CD1-CE2 4.45Å; F326-Y393 AromaticContact CE1-CD2 3.78Å; F326-Y393 HydrophobicContact CE1-CD2 3.78Å; F326-Y393 AromaticContact CE1-CE2 3.68Å; F326-Y393 HydrophobicContact CE1-CE2 3.68Å; F326-Y393 HydrophobicContact CZ-CE2 4.2Å
327	G	97.9	Very high	96.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-56.4	-36.6	167.8	0	0	0	0	0	112.5	S324 T325 L330 L331	S324-G327 PolarHBondContact OG-N 3Å; T325-G327 VanDerWaalsContact C-N 3.31Å; T325-G327 PolarHBondContact O-N 3.3Å; G327-L330 PolarHBondContact O-N 2.67Å; G327-L331 WeakPolarHBondContact O-CG 3.42Å; G327-L331 PolarHBondContact O-N 3.18Å; G327-L331 VanDerWaalsContact O-N 3.09Å
328	Y	98.3	Very high	96.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-79.1	-26.6	176.1	-82.9	-106.6	0	0	0	113.6	K167 I214 H216 T325 F326 L330 L331 A332 A396 A463	K167-Y328 HydrophobicContact CB-CD1 3.78Å; K167-Y328 HydrophobicContact CB-CE1 3.36Å; K167-Y328 HydrophobicContact CD-CD1 4.02Å; K167-Y328 HydrophobicContact CD-CD2 3.81Å; K167-Y328 HydrophobicContact CD-CE1 3.96Å; K167-Y328 HydrophobicContact CD-CE2 3.78Å; K167-Y328 HydrophobicContact CD-CG 3.94Å; K167-Y328 HydrophobicContact CG-CD1 3.53Å; K167-Y328 HydrophobicContact CG-CD2 4.25Å; K167-Y328 HydrophobicContact CG-CE1 3.61Å; K167-Y328 HydrophobicContact CG-CE2 4.34Å; K167-Y328 HydrophobicContact CG-CG 3.86Å; I214-Y328 PolarHBondContact O-OH 3.34Å; H216-Y328 AromaticContact CE1-CD2 3.76Å; H216-Y328 AromaticContact CE1-CE2 3.32Å; H216-Y328 WeakPolarHBondContact CE1-CE2 3.1Å; H216-Y328 AromaticContact NE2-CE2 3.73Å; T325-Y328 WeakPolarHBondContact O-CA 3.37Å; T325-Y328 WeakPolarHBondContact O-CB 3.32Å; T325-Y328 PolarHBondContact O-N 3.41Å; F326-Y328 PolarHBondContact O-N 3.25Å; Y328-L330 VanDerWaalsContact C-N 3.31Å; Y328-L331 HydrophobicContact CD1-CD1 3.84Å; Y328-L331 HydrophobicContact CD2-CD1 4.03Å; Y328-L331 HydrophobicContact CE1-CD1 3.83Å; Y328-L331 HydrophobicContact CE2-CD1 3.99Å; Y328-L331 HydrophobicContact CG-CD1 3.96Å; Y328-L331 PolarHBondContact O-N 2.95Å; Y328-A332 PolarHBondContact O-N 2.72Å; Y328-A396 WeakPolarHBondContact O-CB 3.43Å; Y328-A463 HydrophobicContact CE1-CB 4.36Å; Y328-A463 WeakPolarHBondContact OH-CA 3.36Å; Y328-A463 WeakPolarHBondContact OH-CB 3.05Å
329	T	97.9	Very high	96.9	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.012	10%	0.096	C	C	.	.	H	α-helix	trans	-59.3	-42.7	165.5	-53.4	0	0	0	0	111.2	S304 L305 F308 T325 F326 A332 A333 Y393	S304-T329 WeakPolarHBondContact OG-CG2 3.21Å; L305-T329 HydrophobicContact CD2-CG2 4.15Å; F308-T329 HydrophobicContact CE1-CG2 3.94Å; F308-T329 HydrophobicContact CZ-CG2 4.48Å; T325-T329 PolarHBondContact O-N 2.78Å; T325-T329 PolarHBondContact O-OG1 3.28Å; F326-T329 VanDerWaalsContact O-CB 3.31Å; F326-T329 WeakPolarHBondContact O-CB 3.4Å; F326-T329 PolarHBondContact O-N 2.96Å; F326-T329 VanDerWaalsContact O-N 3.14Å; T329-A332 WeakPolarHBondContact O-CB 3.34Å; T329-A332 PolarHBondContact O-N 3.4Å; T329-A333 PolarHBondContact O-N 3.32Å; T329-Y393 WeakPolarHBondContact CB-O 3.25Å; T329-Y393 WeakPolarHBondContact CG2-O 3.42Å; T329-Y393 PolarHBondContact OG1-O 2.95Å
330	L	98.6	Very high	96.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-67.6	-36.8	174.2	-176.2	55.1	0	0	0	112.3	V189 V193 F196 L213 I220 L305 F308 F326 G327 Y328 A332 A333 I334	V189-L330 HydrophobicContact CB-CD2 4.38Å; V189-L330 HydrophobicContact CG1-CD2 4.48Å; V189-L330 HydrophobicContact CG2-CD2 4.15Å; V193-L330 HydrophobicContact CB-CD1 4.08Å; V193-L330 HydrophobicContact CG1-CD1 3.97Å; V193-L330 HydrophobicContact CG2-CD1 4.13Å; F196-L330 HydrophobicContact CB-CD1 4.16Å; F196-L330 HydrophobicContact CD1-CD2 3.99Å; F196-L330 HydrophobicContact CD2-CD1 4.07Å; F196-L330 HydrophobicContact CD2-CD2 3.79Å; F196-L330 HydrophobicContact CE1-CD2 4.01Å; F196-L330 HydrophobicContact CE2-CD2 3.82Å; F196-L330 HydrophobicContact CG-CD1 4.15Å; F196-L330 HydrophobicContact CG-CD2 3.88Å; F196-L330 HydrophobicContact CZ-CD2 3.93Å; L213-L330 HydrophobicContact CD1-CB 4.14Å; L213-L330 HydrophobicContact CD1-CD2 3.82Å; L213-L330 HydrophobicContact CD1-CG 3.82Å; L213-L330 HydrophobicContact CD2-CD2 4.13Å; I220-L330 HydrophobicContact CD1-CD2 4.28Å; L305-L330 HydrophobicContact CD1-CD1 4.1Å; L305-L330 HydrophobicContact CD2-CB 4.15Å; L305-L330 HydrophobicContact CD2-CD1 3.96Å; F308-L330 HydrophobicContact CZ-CB 4.16Å; F326-L330 PolarHBondContact O-N 2.9Å; G327-L330 PolarHBondContact O-N 2.67Å; Y328-L330 VanDerWaalsContact C-N 3.31Å; L330-A332 VanDerWaalsContact C-N 3.29Å; L330-A332 PolarHBondContact O-N 2.97Å; L330-A333 PolarHBondContact O-N 2.99Å; L330-I334 HydrophobicContact CG-CD1 4.14Å; L330-I334 WeakPolarHBondContact O-CG1 3.38Å; L330-I334 PolarHBondContact O-N 2.68Å
331	L	98.7	Very high	97	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.2	-35.3	172.1	-69.5	173.6	0	0	0	112.9	L174 T210 L213 I214 G327 Y328 I334 V335	L174-L331 HydrophobicContact CD1-CB 4.17Å; L174-L331 HydrophobicContact CD1-CD1 3.93Å; L174-L331 HydrophobicContact CD1-CD2 3.81Å; L174-L331 HydrophobicContact CD1-CG 4.18Å; L174-L331 HydrophobicContact CD2-CD2 4.19Å; T210-L331 HydrophobicContact CG2-CD2 3.49Å; T210-L331 VanDerWaalsContact CG2-CD2 3.49Å; L213-L331 HydrophobicContact CB-CD1 4.07Å; L213-L331 HydrophobicContact CB-CD2 3.76Å; L213-L331 HydrophobicContact CB-CG 3.84Å; L213-L331 HydrophobicContact CD1-CD2 3.77Å; L213-L331 HydrophobicContact CD1-CG 4.06Å; L213-L331 HydrophobicContact CG-CD2 4.44Å; I214-L331 HydrophobicContact CG1-CD1 3.79Å; I214-L331 HydrophobicContact CG1-CD2 4.07Å; G327-L331 WeakPolarHBondContact O-CG 3.42Å; G327-L331 PolarHBondContact O-N 3.18Å; G327-L331 VanDerWaalsContact O-N 3.09Å; Y328-L331 HydrophobicContact CD1-CD1 3.84Å; Y328-L331 HydrophobicContact CD2-CD1 4.03Å; Y328-L331 HydrophobicContact CE1-CD1 3.83Å; Y328-L331 HydrophobicContact CE2-CD1 3.99Å; Y328-L331 HydrophobicContact CG-CD1 3.96Å; Y328-L331 PolarHBondContact O-N 2.95Å; L331-I334 HydrophobicContact CD2-CD1 4.22Å; L331-I334 PolarHBondContact O-N 3.35Å; L331-V335 WeakPolarHBondContact O-CG2 3.48Å; L331-V335 PolarHBondContact O-N 3.22Å
332	A	98.2	Very high	97	Very high	4 Å²	4	29 Å²	29	3%	0.033	15%	0.145	C	C	.	.	H	α-helix	trans	-63.1	-43.7	175	0	0	0	0	0	112.1	S301 Y328 T329 L330 I334 V335 E336 Y343 A396	S301-A332 WeakPolarHBondContact OG-CB 3.43Å; Y328-A332 PolarHBondContact O-N 2.72Å; T329-A332 WeakPolarHBondContact O-CB 3.34Å; T329-A332 PolarHBondContact O-N 3.4Å; L330-A332 VanDerWaalsContact C-N 3.29Å; L330-A332 PolarHBondContact O-N 2.97Å; A332-I334 VanDerWaalsContact C-N 3.34Å; A332-I334 PolarHBondContact O-N 3.2Å; A332-V335 PolarHBondContact O-N 2.59Å; A332-E336 PolarHBondContact O-N 2.77Å; A332-Y343 HydrophobicContact CB-CD1 4.22Å; A332-Y343 HydrophobicContact CB-CD2 3.71Å; A332-Y343 HydrophobicContact CB-CE2 4.02Å; A332-Y343 HydrophobicContact CB-CG 3.84Å; A332-A396 HydrophobicContact CB-CB 3.79Å
333	A	98.1	Very high	97.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.8	-34.9	173.8	0	0	0	0	0	112.7	V193 I302 L305 T329 L330 E336 R337	V193-A333 HydrophobicContact CG1-CB 4.38Å; V193-A333 HydrophobicContact CG2-CB 3.87Å; I302-A333 HydrophobicContact CG1-CB 3.78Å; L305-A333 HydrophobicContact CD1-CB 4.22Å; T329-A333 PolarHBondContact O-N 3.32Å; L330-A333 PolarHBondContact O-N 2.99Å; A333-E336 PolarHBondContact O-N 2.83Å; A333-R337 WeakPolarHBondContact O-CB 3.4Å; A333-R337 VanDerWaalsContact O-CG 3.23Å; A333-R337 WeakPolarHBondContact O-CG 3.32Å; A333-R337 PolarHBondContact O-N 2.85Å
334	I	98.6	Very high	97.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66.2	-42.8	173	-68.9	163.5	0	0	0	110.8	L174 L183 V189 Y192 V193 T210 L213 L330 L331 A332 R337 A338	L174-I334 HydrophobicContact CD2-CG2 4.36Å; L183-I334 HydrophobicContact CD1-CG2 3.43Å; L183-I334 VanDerWaalsContact CD1-CG2 3.43Å; V189-I334 HydrophobicContact CB-CD1 4.13Å; V189-I334 HydrophobicContact CG1-CD1 3.79Å; Y192-I334 HydrophobicContact CD2-CG2 4Å; Y192-I334 HydrophobicContact CG-CG2 4.02Å; V193-I334 HydrophobicContact CG2-CG1 3.71Å; T210-I334 HydrophobicContact CG2-CG2 4.43Å; L213-I334 HydrophobicContact CD1-CD1 3.7Å; L330-I334 HydrophobicContact CG-CD1 4.14Å; L330-I334 WeakPolarHBondContact O-CG1 3.38Å; L330-I334 PolarHBondContact O-N 2.68Å; L331-I334 HydrophobicContact CD2-CD1 4.22Å; L331-I334 PolarHBondContact O-N 3.35Å; A332-I334 VanDerWaalsContact C-N 3.34Å; A332-I334 PolarHBondContact O-N 3.2Å; I334-R337 PolarHBondContact O-N 2.69Å; I334-A338 VanDerWaalsContact O-CB 3.28Å; I334-A338 WeakPolarHBondContact O-CB 3.3Å; I334-A338 PolarHBondContact O-N 2.86Å
335	V	98.3	Very high	97.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.8	-43.9	174.2	167.7	0	0	0	0	111.1	A173 L174 L177 L331 A332 S339 Y343 Y346	A173-V335 HydrophobicContact CB-CG1 4.4Å; A173-V335 HydrophobicContact CB-CG2 4.27Å; L174-V335 HydrophobicContact CD2-CG2 3.56Å; L174-V335 HydrophobicContact CG-CG2 3.85Å; L177-V335 HydrophobicContact CD1-CB 4.39Å; L177-V335 HydrophobicContact CD1-CG1 4.22Å; L177-V335 HydrophobicContact CD1-CG2 4.28Å; L331-V335 WeakPolarHBondContact O-CG2 3.48Å; L331-V335 PolarHBondContact O-N 3.22Å; A332-V335 PolarHBondContact O-N 2.59Å; V335-S339 WeakPolarHBondContact O-CB 3.47Å; V335-S339 PolarHBondContact O-N 2.86Å; V335-S339 PolarHBondContact O-OG 3Å; V335-Y343 HydrophobicContact CB-CD2 4.14Å; V335-Y343 HydrophobicContact CG1-CD2 3.98Å; V335-Y343 HydrophobicContact CG1-CE2 4.44Å; V335-Y346 HydrophobicContact CG1-CD1 3.51Å; V335-Y346 HydrophobicContact CG1-CE1 4.15Å; V335-Y346 HydrophobicContact CG1-CG 4.3Å
336	E	96.1	Very high	97.4	Very high	23 Å²	23	32.1 Å²	32.1	11%	0.107	16%	0.163	C	C	.	.	H	α-helix	trans	-55.5	-53.6	174.5	-79.2	167.3	179	0	0	111.4	S301 A332 A333 S339 G340 Y341 Y343	S301-E336 WeakPolarHBondContact CB-OE1 3.41Å; S301-E336 VanDerWaalsContact CB-OE2 3.31Å; S301-E336 WeakPolarHBondContact CB-OE2 3.47Å; S301-E336 VanDerWaalsContact OG-CD 3.28Å; S301-E336 PolarHBondContact OG-OE1 3.14Å; A332-E336 PolarHBondContact O-N 2.77Å; A333-E336 PolarHBondContact O-N 2.83Å; E336-S339 PolarHBondContact O-OG 2.91Å; E336-G340 PolarHBondContact O-N 2.94Å; E336-Y341 VanDerWaalsContact CA-O 3.29Å; E336-Y341 WeakPolarHBondContact CA-O 3.36Å; E336-Y343 WeakPolarHBondContact OE1-CB 3.23Å; E336-Y343 PolarHBondContact OE1-N 3.45Å
337	R	96.2	Very high	97.4	Very high	127 Å²	127	32.1 Å²	32.1	48%	0.479	16%	0.163	S	C	.	.	H	α-helix	trans	-67.1	-40.7	-175.5	-70.3	-79.1	-171.2	-153.1	5.1	113.3	Y192 V193 E195 I302 A333 I334	Y192-R337 VanDerWaalsContact O-CB 3.31Å; Y192-R337 WeakPolarHBondContact O-CB 3.34Å; Y192-R337 WeakPolarHBondContact O-CD 3.49Å; Y192-R337 WeakPolarHBondContact O-CG 3.46Å; V193-R337 HydrophobicContact CG2-CG 4.33Å; E195-R337 IonicContact OE1-CZ 3.98Å; E195-R337 IonicContact OE1-NE 2.65Å; E195-R337 IonicContact OE1-NH2 2.67Å; E195-R337 PolarHBondContact OE1-NH2 2.87Å; I302-R337 HydrophobicContact CD1-CG 4.41Å; A333-R337 WeakPolarHBondContact O-CB 3.4Å; A333-R337 VanDerWaalsContact O-CG 3.23Å; A333-R337 WeakPolarHBondContact O-CG 3.32Å; A333-R337 PolarHBondContact O-N 2.85Å; I334-R337 PolarHBondContact O-N 2.69Å
338	A	97.5	Very high	97.4	Very high	14 Å²	14	34.7 Å²	34.7	12%	0.116	18%	0.175	C	C	.	.	H	α-helix	trans	-80.7	-27.2	-179.8	0	0	0	0	0	113.7	L177 L183 Y192 I334	L177-A338 HydrophobicContact CD1-CB 4.14Å; L183-A338 HydrophobicContact CD1-CB 4.19Å; Y192-A338 HydrophobicContact CD1-CB 4.03Å; Y192-A338 HydrophobicContact CE1-CB 4.12Å; I334-A338 VanDerWaalsContact O-CB 3.28Å; I334-A338 WeakPolarHBondContact O-CB 3.3Å; I334-A338 PolarHBondContact O-N 2.86Å
339	S	96.8	Very high	97.4	Very high	9 Å²	9	39.6 Å²	39.6	6%	0.063	20%	0.197	C	C	.	.	H	α-helix	trans	-84.2	-36.2	177.6	68.9	0	0	0	0	113.3	V335 E336 Y341	V335-S339 WeakPolarHBondContact O-CB 3.47Å; V335-S339 PolarHBondContact O-N 2.86Å; V335-S339 PolarHBondContact O-OG 3Å; E336-S339 PolarHBondContact O-OG 2.91Å; S339-Y341 PolarHBondContact OG-N 3.44Å; S339-Y341 VanDerWaalsContact OG-N 3.07Å
340	G	95.3	Very high	97.5	Very high	71 Å²	71	39.6 Å²	39.6	73%	0.732	20%	0.196	S	C	*	.	S	Bend	trans	84.8	4.8	-167.6	0	0	0	0	0	114.5	E336	E336-G340 PolarHBondContact O-N 2.94Å
341	Y	95.9	Very high	97.5	Very high	132 Å²	132	39.7 Å²	39.7	52%	0.518	20%	0.197	S	C	.	.	S	Bend	trans	-108.8	164.7	178.5	-69.5	-98.4	0	0	0	110.5	E336 S339 Y346	E336-Y341 VanDerWaalsContact CA-O 3.29Å; E336-Y341 WeakPolarHBondContact CA-O 3.36Å; S339-Y341 PolarHBondContact OG-N 3.44Å; S339-Y341 VanDerWaalsContact OG-N 3.07Å; Y341-Y346 HydrophobicContact CD2-CD2 4.18Å; Y341-Y346 HydrophobicContact CG-CD2 4.42Å
342	K	95.9	Very high	97.5	Very high	147 Å²	147	45.2 Å²	45.2	64%	0.639	22%	0.223	S	C	*	.			trans	-66	153.4	162.1	-57.6	-178	178.5	-178.3	0	109.4	L344 D345 Y346	K342-L344 VanDerWaalsContact C-N 3.34Å; K342-L344 PolarHBondContact O-N 3.42Å; K342-D345 HydrophobicContact CB-CB 4.36Å; K342-D345 WeakPolarHBondContact CB-OD2 2.93Å; K342-D345 WeakPolarHBondContact CG-OD2 3.39Å; K342-D345 PolarHBondContact O-N 2.9Å; K342-Y346 PolarHBondContact O-N 2.85Å; K342-Y346 VanDerWaalsContact O-N 3.08Å
343	Y	97.3	Very high	97.4	Very high	1 Å²	1	49 Å²	49	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-57.1	-48.3	-176.7	172.6	-106.5	0	0	0	111.6	T170 A332 V335 E336 Y346 M347 W395 A396 F400	T170-Y343 HydrophobicContact CG2-CE2 4.17Å; T170-Y343 PolarHBondContact OG1-OH 3.15Å; A332-Y343 HydrophobicContact CB-CD1 4.22Å; A332-Y343 HydrophobicContact CB-CD2 3.71Å; A332-Y343 HydrophobicContact CB-CE2 4.02Å; A332-Y343 HydrophobicContact CB-CG 3.84Å; V335-Y343 HydrophobicContact CB-CD2 4.14Å; V335-Y343 HydrophobicContact CG1-CD2 3.98Å; V335-Y343 HydrophobicContact CG1-CE2 4.44Å; E336-Y343 WeakPolarHBondContact OE1-CB 3.23Å; E336-Y343 PolarHBondContact OE1-N 3.45Å; Y343-Y346 PolarHBondContact O-N 3.3Å; Y343-M347 HydrophobicContact CD1-CG 4.4Å; Y343-M347 HydrophobicContact CD2-CG 4.11Å; Y343-M347 HydrophobicContact CE1-CG 3.85Å; Y343-M347 HydrophobicContact CE2-CG 3.53Å; Y343-M347 HydrophobicContact CE2-SD 3.84Å; Y343-M347 HydrophobicContact CG-CG 4.49Å; Y343-M347 VanDerWaalsContact O-CG 3.31Å; Y343-M347 WeakPolarHBondContact O-CG 3.23Å; Y343-M347 PolarHBondContact O-N 2.67Å; Y343-M347 WeakPolarHBondContact OH-CG 3.41Å; Y343-W395 HydrophobicContact CD1-CB 4.42Å; Y343-W395 HydrophobicContact CE1-CB 3.91Å; Y343-A396 HydrophobicContact CE1-CB 4.08Å; Y343-A396 HydrophobicContact CE2-CB 4.07Å; Y343-A396 WeakPolarHBondContact OH-CA 3.41Å; Y343-A396 WeakPolarHBondContact OH-CB 3.26Å; Y343-F400 HydrophobicContact CE1-CE2 4.31Å; Y343-F400 AromaticContact CE1-CZ 3.76Å; Y343-F400 HydrophobicContact CE1-CZ 3.76Å; Y343-F400 WeakPolarHBondContact OH-CE2 3.29Å; Y343-F400 WeakPolarHBondContact OH-CZ 3.38Å
344	L	96.6	Very high	97.4	Very high	30 Å²	30	49.8 Å²	49.8	16%	0.157	25%	0.247	C	C	.	.	H	α-helix	trans	-64.7	-41.5	-179.9	-66.6	-175.1	0	0	0	112.8	K342 Y346 M347 Q348 Q361 W395 F400	K342-L344 VanDerWaalsContact C-N 3.34Å; K342-L344 PolarHBondContact O-N 3.42Å; L344-Y346 VanDerWaalsContact C-N 3.3Å; L344-Y346 PolarHBondContact O-N 3.42Å; L344-M347 PolarHBondContact O-N 2.72Å; L344-Q348 WeakPolarHBondContact O-CB 2.68Å; L344-Q348 PolarHBondContact O-N 2.89Å; L344-Q361 HydrophobicContact CD1-CB 4.17Å; L344-Q361 HydrophobicContact CD1-CG 3.76Å; L344-Q361 HydrophobicContact CD2-CB 3.75Å; L344-Q361 HydrophobicContact CD2-CG 4.27Å; L344-W395 HydrophobicContact CD1-CD2 4.15Å; L344-W395 HydrophobicContact CD1-CE3 3.81Å; L344-W395 HydrophobicContact CD1-CH2 3.7Å; L344-W395 HydrophobicContact CD1-CZ2 4.03Å; L344-W395 HydrophobicContact CD1-CZ3 3.58Å; L344-W395 HydrophobicContact CD2-CB 4.19Å; L344-W395 HydrophobicContact CD2-CD2 3.88Å; L344-W395 HydrophobicContact CD2-CE3 3.84Å; L344-W395 HydrophobicContact CD2-CG 4.09Å; L344-W395 HydrophobicContact CD2-CZ3 4.47Å; L344-W395 HydrophobicContact CG-CD2 4.34Å; L344-W395 HydrophobicContact CG-CE3 3.88Å; L344-W395 HydrophobicContact CG-CZ3 4.04Å; L344-F400 HydrophobicContact CD2-CE1 4.09Å; L344-F400 HydrophobicContact CD2-CZ 4.39Å
345	D	97.4	Very high	97.4	Very high	85 Å²	85	53.5 Å²	53.5	46%	0.455	27%	0.266	S	S	.	.	H	α-helix	trans	-60.8	-41.8	178.1	-55	-16.1	0	0	0	111	K342 K349	K342-D345 HydrophobicContact CB-CB 4.36Å; K342-D345 WeakPolarHBondContact CB-OD2 2.93Å; K342-D345 WeakPolarHBondContact CG-OD2 3.39Å; K342-D345 PolarHBondContact O-N 2.9Å; D345-K349 PolarHBondContact O-N 2.84Å; D345-K349 VanDerWaalsContact O-N 3.17Å
346	Y	98.1	Very high	97.4	Very high	30 Å²	30	53.5 Å²	53.5	12%	0.118	27%	0.266	C	S	.	.	H	α-helix	trans	-68.9	-39.9	177.2	-165.6	-113.4	0	0	0	112.4	A173 L177 V335 Y341 K342 Y343 L344 K349 I350	A173-Y346 HydrophobicContact CB-CD1 4.02Å; A173-Y346 HydrophobicContact CB-CE1 3.85Å; L177-Y346 HydrophobicContact CD1-CE1 4.03Å; L177-Y346 HydrophobicContact CD2-CE1 4.32Å; L177-Y346 HydrophobicContact CD2-CE2 4.49Å; L177-Y346 WeakPolarHBondContact CD2-OH 3.44Å; L177-Y346 HydrophobicContact CG-CE1 4.02Å; V335-Y346 HydrophobicContact CG1-CD1 3.51Å; V335-Y346 HydrophobicContact CG1-CE1 4.15Å; V335-Y346 HydrophobicContact CG1-CG 4.3Å; Y341-Y346 HydrophobicContact CD2-CD2 4.18Å; Y341-Y346 HydrophobicContact CG-CD2 4.42Å; K342-Y346 PolarHBondContact O-N 2.85Å; K342-Y346 VanDerWaalsContact O-N 3.08Å; Y343-Y346 PolarHBondContact O-N 3.3Å; L344-Y346 VanDerWaalsContact C-N 3.3Å; L344-Y346 PolarHBondContact O-N 3.42Å; Y346-K349 PolarHBondContact O-N 2.69Å; Y346-I350 HydrophobicContact CD1-CD1 3.9Å; Y346-I350 HydrophobicContact CE1-CD1 3.74Å; Y346-I350 WeakPolarHBondContact O-CG1 3.46Å; Y346-I350 PolarHBondContact O-N 2.79Å; Y346-I350 VanDerWaalsContact O-N 3.15Å
347	M	98.4	Very high	97.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-67	-40.1	175.3	-70.2	-57.6	-49.9	0	0	112.2	L169 A173 Y343 L344 K349 I350 F351 F400	L169-M347 HydrophobicContact CB-CE 3.91Å; A173-M347 HydrophobicContact CB-SD 3.67Å; Y343-M347 HydrophobicContact CD1-CG 4.4Å; Y343-M347 HydrophobicContact CD2-CG 4.11Å; Y343-M347 HydrophobicContact CE1-CG 3.85Å; Y343-M347 HydrophobicContact CE2-CG 3.53Å; Y343-M347 HydrophobicContact CE2-SD 3.84Å; Y343-M347 HydrophobicContact CG-CG 4.49Å; Y343-M347 VanDerWaalsContact O-CG 3.31Å; Y343-M347 WeakPolarHBondContact O-CG 3.23Å; Y343-M347 PolarHBondContact O-N 2.67Å; Y343-M347 WeakPolarHBondContact OH-CG 3.41Å; L344-M347 PolarHBondContact O-N 2.72Å; M347-K349 VanDerWaalsContact C-N 3.28Å; M347-K349 PolarHBondContact O-N 2.87Å; M347-I350 WeakPolarHBondContact O-CB 3.32Å; M347-I350 PolarHBondContact O-N 2.94Å; M347-I350 HydrophobicContact SD-CD1 4.25Å; M347-F351 HydrophobicContact CB-CE2 4.09Å; M347-F351 HydrophobicContact CB-CZ 4.05Å; M347-F351 HydrophobicContact CE-CE1 3.54Å; M347-F351 HydrophobicContact CE-CZ 3.61Å; M347-F351 WeakPolarHBondContact O-CD2 3.17Å; M347-F351 WeakPolarHBondContact O-CG 3.44Å; M347-F351 PolarHBondContact O-N 2.78Å; M347-F400 HydrophobicContact CB-CE1 4.5Å; M347-F400 HydrophobicContact CB-CZ 4.06Å; M347-F400 HydrophobicContact CE-CE2 4.27Å; M347-F400 HydrophobicContact CE-CZ 4.35Å; M347-F400 HydrophobicContact CG-CZ 3.95Å
348	Q	98.2	Very high	97.5	Very high	54 Å²	54	54.3 Å²	54.3	25%	0.252	28%	0.282	S	S	.	.	H	α-helix	trans	-61.9	-38	176.8	-170.1	61.4	51.9	0	0	111.5	L344 F351 Q352	L344-Q348 WeakPolarHBondContact O-CB 2.68Å; L344-Q348 PolarHBondContact O-N 2.89Å; Q348-F351 PolarHBondContact O-N 3.32Å; Q348-Q352 WeakPolarHBondContact O-CG 3.41Å; Q348-Q352 PolarHBondContact O-N 3.17Å
349	K	98.3	Very high	97.6	Very high	102 Å²	102	53.6 Å²	53.6	44%	0.443	28%	0.277	S	S	.	.	H	α-helix	trans	-61.1	-45.4	171	-175.3	-177.2	175.8	179.8	0	111.8	D345 Y346 M347 F351 Q352 D353	D345-K349 PolarHBondContact O-N 2.84Å; D345-K349 VanDerWaalsContact O-N 3.17Å; Y346-K349 PolarHBondContact O-N 2.69Å; M347-K349 VanDerWaalsContact C-N 3.28Å; M347-K349 PolarHBondContact O-N 2.87Å; K349-F351 VanDerWaalsContact C-N 3.29Å; K349-F351 PolarHBondContact O-N 3.04Å; K349-Q352 WeakPolarHBondContact O-CB 3.35Å; K349-Q352 PolarHBondContact O-N 3.21Å; K349-D353 WeakPolarHBondContact O-CB 3.42Å; K349-D353 VanDerWaalsContact O-CG 3.32Å; K349-D353 PolarHBondContact O-N 3.17Å
350	I	98.4	Very high	97.6	Very high	2 Å²	2	55 Å²	55	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-62.7	-37.8	177.8	-68.7	166.1	0	0	0	111.2	V172 A173 Y346 M347 D353 L354 Y434	V172-I350 HydrophobicContact CG1-CG2 4.29Å; A173-I350 VanDerWaalsContact CA-CD1 3.43Å; A173-I350 HydrophobicContact CB-CD1 3.37Å; Y346-I350 HydrophobicContact CD1-CD1 3.9Å; Y346-I350 HydrophobicContact CE1-CD1 3.74Å; Y346-I350 WeakPolarHBondContact O-CG1 3.46Å; Y346-I350 PolarHBondContact O-N 2.79Å; Y346-I350 VanDerWaalsContact O-N 3.15Å; M347-I350 WeakPolarHBondContact O-CB 3.32Å; M347-I350 PolarHBondContact O-N 2.94Å; M347-I350 HydrophobicContact SD-CD1 4.25Å; I350-D353 PolarHBondContact O-N 3.23Å; I350-L354 HydrophobicContact CG2-CD1 3.8Å; I350-L354 WeakPolarHBondContact O-CB 3.08Å; I350-L354 WeakPolarHBondContact O-CG 3.44Å; I350-L354 PolarHBondContact O-N 3.11Å; I350-L354 VanDerWaalsContact O-N 3.09Å; I350-Y434 HydrophobicContact CG2-CE1 4.43Å
351	F	98.7	Very high	97.7	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.009	26%	0.259	C	S	.	.	H	α-helix	trans	-65.7	-39.7	174.9	-57.1	-27.8	0	0	0	111.7	L169 M347 Q348 K349 L354 D355 M356 T359 F400	L169-F351 HydrophobicContact CB-CE1 4.29Å; L169-F351 HydrophobicContact CD1-CE1 3.92Å; L169-F351 HydrophobicContact CD1-CZ 4.31Å; L169-F351 HydrophobicContact CD2-CE1 4.35Å; L169-F351 HydrophobicContact CG-CE1 4.42Å; M347-F351 HydrophobicContact CB-CE2 4.09Å; M347-F351 HydrophobicContact CB-CZ 4.05Å; M347-F351 HydrophobicContact CE-CE1 3.54Å; M347-F351 HydrophobicContact CE-CZ 3.61Å; M347-F351 WeakPolarHBondContact O-CD2 3.17Å; M347-F351 WeakPolarHBondContact O-CG 3.44Å; M347-F351 PolarHBondContact O-N 2.78Å; Q348-F351 PolarHBondContact O-N 3.32Å; K349-F351 VanDerWaalsContact C-N 3.29Å; K349-F351 PolarHBondContact O-N 3.04Å; F351-L354 CarbonylContact O-C 3.58Å; F351-L354 PolarHBondContact O-N 2.8Å; F351-D355 PolarHBondContact O-N 3.35Å; F351-D355 VanDerWaalsContact O-N 3.15Å; F351-M356 HydrophobicContact CB-CB 4.07Å; F351-M356 HydrophobicContact CD1-SD 4.2Å; F351-M356 PolarHBondContact O-N 3.29Å; F351-T359 HydrophobicContact CD1-CG2 3.99Å; F351-T359 HydrophobicContact CD2-CG2 3.9Å; F351-T359 VanDerWaalsContact CD2-O 3.31Å; F351-T359 WeakPolarHBondContact CD2-O 3.19Å; F351-T359 HydrophobicContact CE1-CG2 3.84Å; F351-T359 HydrophobicContact CE2-CG2 3.75Å; F351-T359 HydrophobicContact CG-CG2 4.04Å; F351-T359 HydrophobicContact CZ-CG2 3.73Å; F351-F400 AromaticContact CE2-CD1 3.9Å; F351-F400 HydrophobicContact CE2-CD1 3.9Å; F351-F400 AromaticContact CE2-CE1 3.75Å; F351-F400 HydrophobicContact CE2-CE1 3.75Å; F351-F400 HydrophobicContact CE2-CZ 4.3Å; F351-F400 AromaticContact CZ-CD1 3.89Å; F351-F400 HydrophobicContact CZ-CD1 3.89Å; F351-F400 HydrophobicContact CZ-CD2 4.25Å; F351-F400 AromaticContact CZ-CE1 3.78Å; F351-F400 HydrophobicContact CZ-CE1 3.78Å; F351-F400 HydrophobicContact CZ-CE2 4.14Å; F351-F400 HydrophobicContact CZ-CG 4.16Å; F351-F400 AromaticContact CZ-CZ 3.92Å; F351-F400 HydrophobicContact CZ-CZ 3.92Å
352	Q	98.4	Very high	97.6	Very high	116 Å²	116	47.8 Å²	47.8	54%	0.542	24%	0.237	S	C	.	.	H	α-helix	trans	-64.5	-47.4	173	-71.1	167.3	-4.4	0	0	112.1	Q348 K349 L354 D355	Q348-Q352 WeakPolarHBondContact O-CG 3.41Å; Q348-Q352 PolarHBondContact O-N 3.17Å; K349-Q352 WeakPolarHBondContact O-CB 3.35Å; K349-Q352 PolarHBondContact O-N 3.21Å; Q352-L354 PolarHBondContact O-N 2.79Å; Q352-D355 PolarHBondContact O-N 2.95Å; Q352-D355 VanDerWaalsContact O-N 3.09Å
353	D	97.7	Very high	97.5	Very high	84 Å²	84	42.7 Å²	42.7	45%	0.449	22%	0.215	S	C	.	.	H	α-helix	trans	-60.1	-25.7	178.2	-71.9	-10.6	0	0	0	112.8	K349 I350 Y434	K349-D353 WeakPolarHBondContact O-CB 3.42Å; K349-D353 VanDerWaalsContact O-CG 3.32Å; K349-D353 PolarHBondContact O-N 3.17Å; I350-D353 PolarHBondContact O-N 3.23Å; D353-Y434 HydrophobicContact CB-CE2 3.6Å; D353-Y434 WeakPolarHBondContact CB-OH 3.48Å; D353-Y434 PolarHBondContact OD2-OH 3.45Å
354	L	98.1	Very high	97.1	Very high	16 Å²	16	47.9 Å²	47.9	8%	0.084	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	7.6	179.3	-68.8	172.4	0	0	0	113.9	I350 F351 Q352 M356 F410 A413 Y434	I350-L354 HydrophobicContact CG2-CD1 3.8Å; I350-L354 WeakPolarHBondContact O-CB 3.08Å; I350-L354 WeakPolarHBondContact O-CG 3.44Å; I350-L354 PolarHBondContact O-N 3.11Å; I350-L354 VanDerWaalsContact O-N 3.09Å; F351-L354 CarbonylContact O-C 3.58Å; F351-L354 PolarHBondContact O-N 2.8Å; Q352-L354 PolarHBondContact O-N 2.79Å; L354-M356 HydrophobicContact CB-CG 3.9Å; L354-M356 HydrophobicContact CB-SD 4.1Å; L354-M356 HydrophobicContact CD1-SD 4.17Å; L354-M356 PolarHBondContact O-N 2.82Å; L354-F410 HydrophobicContact CD1-CD2 4.09Å; L354-A413 HydrophobicContact CD2-CB 3.72Å; L354-Y434 HydrophobicContact CD1-CD1 4.4Å; L354-Y434 HydrophobicContact CD1-CE1 4.19Å; L354-Y434 HydrophobicContact CD2-CD1 3.69Å; L354-Y434 HydrophobicContact CD2-CD2 4.22Å; L354-Y434 HydrophobicContact CD2-CE1 4.09Å; L354-Y434 HydrophobicContact CD2-CG 3.75Å; L354-Y434 HydrophobicContact CG-CD1 4.21Å; L354-Y434 HydrophobicContact CG-CE1 4.09Å
355	D	97.9	Very high	96.8	Very high	78 Å²	78	54 Å²	54	42%	0.417	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	27.4	-176.9	-170.8	41.7	0	0	0	114	F351 Q352 L357 K409	F351-D355 PolarHBondContact O-N 3.35Å; F351-D355 VanDerWaalsContact O-N 3.15Å; Q352-D355 PolarHBondContact O-N 2.95Å; Q352-D355 VanDerWaalsContact O-N 3.09Å; D355-L357 PolarHBondContact O-N 2.95Å; D355-L357 VanDerWaalsContact O-N 3.12Å; D355-L357 WeakPolarHBondContact OD1-CD1 3.33Å; D355-L357 WeakPolarHBondContact OD1-CG 3.33Å; D355-K409 HydrophobicContact CB-CD 4.16Å; D355-K409 VanDerWaalsContact CG-NZ 3.28Å; D355-K409 WeakPolarHBondContact O-CD 3.3Å; D355-K409 PolarHBondContact O-NZ 3.41Å; D355-K409 IonicContact OD1-NZ 3.12Å; D355-K409 WeakPolarHBondContact OD2-CE 3.37Å; D355-K409 IonicContact OD2-NZ 2.69Å; D355-K409 PolarHBondContact OD2-NZ 3.4Å
356	M	98.6	Very high	96.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.267	C	S	.	.			trans	-86.1	55.2	175.5	-59.5	179.5	68.8	0	0	111.1	L169 F351 L354 T358 T359 D406 L407 F410	L169-M356 HydrophobicContact CD1-CE 4.42Å; L169-M356 HydrophobicContact CD2-CE 3.79Å; L169-M356 HydrophobicContact CD2-SD 4.02Å; F351-M356 HydrophobicContact CB-CB 4.07Å; F351-M356 HydrophobicContact CD1-SD 4.2Å; F351-M356 PolarHBondContact O-N 3.29Å; L354-M356 HydrophobicContact CB-CG 3.9Å; L354-M356 HydrophobicContact CB-SD 4.1Å; L354-M356 HydrophobicContact CD1-SD 4.17Å; L354-M356 PolarHBondContact O-N 2.82Å; M356-T358 PolarHBondContact O-N 2.78Å; M356-T358 VanDerWaalsContact O-N 3.1Å; M356-T359 HydrophobicContact CE-CG2 4.08Å; M356-T359 WeakPolarHBondContact CE-OG1 3.42Å; M356-T359 WeakPolarHBondContact O-CB 3.35Å; M356-T359 PolarHBondContact O-N 2.9Å; M356-D406 WeakPolarHBondContact CA-OD2 3.28Å; M356-D406 HydrophobicContact CB-CB 4.1Å; M356-D406 HydrophobicContact CE-CB 4.2Å; M356-D406 HydrophobicContact CG-CB 4.3Å; M356-L407 HydrophobicContact CE-CD2 4.33Å; M356-F410 HydrophobicContact CE-CB 3.95Å; M356-F410 HydrophobicContact SD-CB 3.74Å; M356-F410 HydrophobicContact SD-CD2 4.36Å; M356-F410 HydrophobicContact SD-CG 4.31Å
357	L	97.2	Very high	96.5	Very high	112 Å²	112	57.1 Å²	57.1	59%	0.586	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.3	-165.9	-53.8	-177	0	0	0	114.9	D355	D355-L357 PolarHBondContact O-N 2.95Å; D355-L357 VanDerWaalsContact O-N 3.12Å; D355-L357 WeakPolarHBondContact OD1-CD1 3.33Å; D355-L357 WeakPolarHBondContact OD1-CG 3.33Å
358	T	97.8	Very high	96.4	Very high	55 Å²	55	58.6 Å²	58.6	34%	0.337	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-8.6	176.8	-25.7	0	0	0	0	112.3	V159 M356 V360 T403 D406	V159-T358 HydrophobicContact CG2-CG2 3.51Å; M356-T358 PolarHBondContact O-N 2.78Å; M356-T358 VanDerWaalsContact O-N 3.1Å; T358-V360 PolarHBondContact O-N 3.17Å; T358-T403 HydrophobicContact CG2-CG2 3.8Å; T358-D406 VanDerWaalsContact CA-OD2 3.3Å; T358-D406 WeakPolarHBondContact CA-OD2 3.33Å; T358-D406 WeakPolarHBondContact CB-OD2 3.37Å; T358-D406 PolarHBondContact N-OD2 3.35Å; T358-D406 PolarHBondContact OG1-OD1 2.87Å
359	T	98.6	Very high	96.3	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.328	C	S	.	.			trans	-81.1	120.6	-176.4	-59.6	0	0	0	0	109.9	L169 F351 M356 L401 S402 D406	L169-T359 HydrophobicContact CD1-CG2 4.45Å; F351-T359 HydrophobicContact CD1-CG2 3.99Å; F351-T359 HydrophobicContact CD2-CG2 3.9Å; F351-T359 VanDerWaalsContact CD2-O 3.31Å; F351-T359 WeakPolarHBondContact CD2-O 3.19Å; F351-T359 HydrophobicContact CE1-CG2 3.84Å; F351-T359 HydrophobicContact CE2-CG2 3.75Å; F351-T359 HydrophobicContact CG-CG2 4.04Å; F351-T359 HydrophobicContact CZ-CG2 3.73Å; M356-T359 HydrophobicContact CE-CG2 4.08Å; M356-T359 WeakPolarHBondContact CE-OG1 3.42Å; M356-T359 WeakPolarHBondContact O-CB 3.35Å; M356-T359 PolarHBondContact O-N 2.9Å; T359-L401 WeakPolarHBondContact CA-O 3.47Å; T359-S402 PolarHBondContact OG1-OG 2.67Å; T359-S402 VanDerWaalsContact OG1-OG 3.12Å; T359-D406 PolarHBondContact N-OD2 2.98Å; T359-D406 WeakPolarHBondContact OG1-CB 3.04Å; T359-D406 PolarHBondContact OG1-OD2 2.84Å
360	V	97.6	Very high	96.2	Very high	37 Å²	37	65.1 Å²	65.1	22%	0.224	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	158.7	-173.2	-65.7	0	0	0	0	110.8	T358 I368 F400 L401	T358-V360 PolarHBondContact O-N 3.17Å; V360-I368 HydrophobicContact CG2-CD1 4.17Å; V360-I368 HydrophobicContact CG2-CG2 4.18Å; V360-F400 WeakPolarHBondContact O-CA 3.45Å; V360-L401 HydrophobicContact CG2-CB 4.31Å; V360-L401 PolarHBondContact N-O 3.33Å; V360-L401 VanDerWaalsContact N-O 3.16Å; V360-L401 PolarHBondContact O-N 2.86Å
361	Q	96.4	Very high	96.2	Very high	43 Å²	43	68.3 Å²	68.3	20%	0.201	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	146.6	169.7	73.1	-80.1	6.2	0	0	111.2	L344 E363 W395 F400	L344-Q361 HydrophobicContact CD1-CB 4.17Å; L344-Q361 HydrophobicContact CD1-CG 3.76Å; L344-Q361 HydrophobicContact CD2-CB 3.75Å; L344-Q361 HydrophobicContact CD2-CG 4.27Å; Q361-E363 HydrophobicContact CG-CG 3.94Å; Q361-E363 WeakPolarHBondContact CG-OE2 3.43Å; Q361-E363 PolarHBondContact NE2-OE2 3.1Å; Q361-E363 PolarHBondContact O-N 3.25Å; Q361-W395 HydrophobicContact CB-CD2 4.41Å; Q361-W395 HydrophobicContact CB-CG 4.26Å; Q361-W395 HydrophobicContact CG-CZ2 4.37Å; Q361-F400 HydrophobicContact CB-CD1 4.29Å; Q361-F400 HydrophobicContact CB-CE1 4.2Å
362	E	94.6	Very high	96.2	Very high	9 Å²	9	68.4 Å²	68.4	4%	0.042	35%	0.346	C	S	.	.			trans	-78.2	114.7	167.7	-171	173	-162.6	0	0	110.4	R161 R371 N391 W395 G399 L401	R161-E362 WeakPolarHBondContact CG-OE2 3.5Å; R161-E362 IonicContact CZ-OE1 2.86Å; R161-E362 VanDerWaalsContact CZ-OE1 3.24Å; R161-E362 IonicContact CZ-OE2 3.41Å; R161-E362 IonicContact NE-OE1 2.73Å; R161-E362 PolarHBondContact NE-OE1 3.49Å; R161-E362 IonicContact NE-OE2 2.64Å; R161-E362 PolarHBondContact NE-OE2 2.91Å; R161-E362 IonicContact NH2-OE1 3.17Å; R161-E362 PolarHBondContact NH2-OE1 2.8Å; R161-E362 IonicContact NH2-OE2 3.22Å; R161-E362 PolarHBondContact NH2-OE2 3.1Å; E362-R371 VanDerWaalsContact CG-NH2 3.31Å; E362-R371 IonicContact OE1-CZ 3.8Å; E362-R371 IonicContact OE1-NH2 2.99Å; E362-R371 PolarHBondContact OE1-NH2 3Å; E362-N391 PolarHBondContact OE2-ND2 3.08Å; E362-W395 PolarHBondContact O-NE1 3.2Å; E362-W395 VanDerWaalsContact O-NE1 3.11Å; E362-G399 WeakPolarHBondContact CB-O 3.09Å; E362-G399 PolarHBondContact N-O 3.41Å; E362-L401 HydrophobicContact CB-CD1 4.38Å; E362-L401 HydrophobicContact CB-CD2 3.83Å; E362-L401 HydrophobicContact CB-CG 3.89Å; E362-L401 HydrophobicContact CG-CD1 4.28Å; E362-L401 HydrophobicContact CG-CD2 3.94Å; E362-L401 HydrophobicContact CG-CG 4.22Å
363	E	92.8	Very high	96.1	Very high	41 Å²	41	69.5 Å²	69.5	19%	0.192	35%	0.345	C	S	.	.			trans	-126.6	164	163.7	-70.9	-177.4	89.7	0	0	109.5	K297 Q361 P366 R371 W395	K297-E363 IonicContact NZ-OE1 2.79Å; K297-E363 PolarHBondContact NZ-OE1 3.39Å; Q361-E363 HydrophobicContact CG-CG 3.94Å; Q361-E363 WeakPolarHBondContact CG-OE2 3.43Å; Q361-E363 PolarHBondContact NE2-OE2 3.1Å; Q361-E363 PolarHBondContact O-N 3.25Å; E363-P366 HydrophobicContact CB-CG 3.77Å; E363-R371 VanDerWaalsContact O-CZ 3.31Å; E363-R371 PolarHBondContact O-NH1 2.79Å; E363-R371 PolarHBondContact O-NH2 3.2Å; E363-R371 VanDerWaalsContact O-NH2 3.07Å; E363-W395 HydrophobicContact CG-CZ2 4Å
364	N	89.3	Confident	96.1	Very high	109 Å²	109	66 Å²	66	58%	0.583	33%	0.326	S	S	*	.	S	Bend	trans	-102.9	-20.7	-179.3	179.6	87.3	0	0	0	113.7	Y388	N364-Y388 HydrophobicContact CB-CD2 4.29Å; N364-Y388 HydrophobicContact CB-CE2 3.57Å
365	E	90.9	Very high	96	Very high	160 Å²	160	65.4 Å²	65.4	75%	0.748	32%	0.322	S	S	*	.	S	Bend	trans	-78.5	-48.9	-178.5	-178	173.3	-165.6	0	0	114.1	K297	K297-E365 IonicContact NZ-OE2 3.87Å
366	P	93.4	Very high	95.9	Very high	56 Å²	56	63.4 Å²	63.4	36%	0.364	31%	0.313	S	S	.	.	S	Bend	trans	-73.3	147.5	179.9	29.5	-34.9	0	0	0	112.5	E363 I368	E363-P366 HydrophobicContact CB-CG 3.77Å; P366-I368 PolarHBondContact O-N 2.92Å
367	V	95.3	Very high	95.6	Very high	123 Å²	123	67.9 Å²	67.9	75%	0.745	33%	0.331	S	S	*	.			trans	-71.9	121.7	170.2	178.4	0	0	0	0	109.1
368	I	96.4	Very high	95.3	Very high	31 Å²	31	64.6 Å²	64.6	16%	0.159	31%	0.314	C	S	.	.			trans	-114.6	112.8	176.2	-56.6	178.5	0	0	0	107.1	V159 V360 P366 R371 L401	V159-I368 HydrophobicContact CG1-CG2 3.92Å; V360-I368 HydrophobicContact CG2-CD1 4.17Å; V360-I368 HydrophobicContact CG2-CG2 4.18Å; P366-I368 PolarHBondContact O-N 2.92Å; I368-R371 HydrophobicContact CB-CB 4.12Å; I368-R371 HydrophobicContact CG2-CB 4.16Å; I368-R371 VanDerWaalsContact O-CB 3.28Å; I368-R371 WeakPolarHBondContact O-CB 3.41Å; I368-R371 PolarHBondContact O-N 3.07Å; I368-L401 HydrophobicContact CD1-CD1 3.61Å; I368-L401 HydrophobicContact CG2-CD1 4.28Å
369	Y	95.9	Very high	94.9	Very high	191 Å²	191	71.2 Å²	71.2	75%	0.749	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	145.7	-179.6	-68.4	-82.4	0	0	0	111.2	V159 R371	V159-Y369 WeakPolarHBondContact CG2-O 3.39Å; Y369-R371 PolarHBondContact O-N 3.18Å
370	N	97.1	Very high	94.7	Very high	103 Å²	103	78.9 Å²	78.9	55%	0.551	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	16.2	-177.5	-55.2	-23.8	0	0	0	115.9	E157 V159 A372	E157-N370 WeakPolarHBondContact O-CB 3.35Å; E157-N370 PolarHBondContact O-ND2 2.71Å; V159-N370 HydrophobicContact CG2-CB 4.35Å; V159-N370 PolarHBondContact N-O 3.01Å; N370-A372 PolarHBondContact O-N 3.41Å
371	R	97.7	Very high	94.4	Very high	68 Å²	68	85.4 Å²	85.4	26%	0.257	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-64.4	125.6	178.1	-176.9	-177.3	-174.9	167.1	7.7	111.7	V159 E362 E363 I368 Y369 L401	V159-R371 WeakPolarHBondContact O-CA 3.45Å; E362-R371 VanDerWaalsContact CG-NH2 3.31Å; E362-R371 IonicContact OE1-CZ 3.8Å; E362-R371 IonicContact OE1-NH2 2.99Å; E362-R371 PolarHBondContact OE1-NH2 3Å; E363-R371 VanDerWaalsContact O-CZ 3.31Å; E363-R371 PolarHBondContact O-NH1 2.79Å; E363-R371 PolarHBondContact O-NH2 3.2Å; E363-R371 VanDerWaalsContact O-NH2 3.07Å; I368-R371 HydrophobicContact CB-CB 4.12Å; I368-R371 HydrophobicContact CG2-CB 4.16Å; I368-R371 VanDerWaalsContact O-CB 3.28Å; I368-R371 WeakPolarHBondContact O-CB 3.41Å; I368-R371 PolarHBondContact O-N 3.07Å; Y369-R371 PolarHBondContact O-N 3.18Å; R371-L401 HydrophobicContact CG-CD1 4.4Å
372	A	97.8	Very high	94.3	Very high	4 Å²	4	90.6 Å²	90.6	3%	0.033	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-71.8	154.4	173	0	0	0	0	0	113.1	A146 T158 V159 M160 N370 F374 N524	A146-A372 HydrophobicContact CB-CB 4.18Å; A146-A372 WeakPolarHBondContact O-CA 3.41Å; T158-A372 HydrophobicContact CG2-CB 3.9Å; V159-A372 PolarHBondContact O-N 2.71Å; M160-A372 HydrophobicContact CE-CB 4.1Å; M160-A372 HydrophobicContact CG-CB 3.82Å; N370-A372 PolarHBondContact O-N 3.41Å; A372-F374 HydrophobicContact CB-CE1 4.39Å; A372-N524 HydrophobicContact CB-CB 4.32Å
373	R	97.3	Very high	94.3	Very high	139 Å²	139	93 Å²	93	53%	0.525	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-76.2	157.5	156.6	-64.4	-62.4	-179.7	-174.6	-2.5	110	A146 D147 Y375 N524	A146-R373 PolarHBondContact O-N 2.81Å; D147-R373 HydrophobicContact CB-CB 4.47Å; D147-R373 HydrophobicContact CB-CG 3.82Å; D147-R373 VanDerWaalsContact CG-CG 3.42Å; D147-R373 WeakPolarHBondContact OD2-CG 3.34Å; D147-R373 IonicContact OD2-NE 3.74Å; D147-R373 PolarHBondContact OD2-NE 2.68Å; R373-Y375 HydrophobicContact CB-CE1 4.47Å; R373-Y375 HydrophobicContact CB-CE2 3.73Å; R373-Y375 WeakPolarHBondContact CB-OH 3.43Å; R373-N524 VanDerWaalsContact O-CB 3.3Å; R373-N524 WeakPolarHBondContact O-CB 3.3Å; R373-N524 PolarHBondContact O-ND2 3.3Å
374	F	97	Very high	94.4	Very high	11 Å²	11	93.7 Å²	93.7	5%	0.048	43%	0.434	C	S	.	.			trans	-126.1	135	-172.2	-61.2	-60.8	0	0	0	111.1	M160 R161 A372 T386 L401 G491 A492 N524	M160-F374 HydrophobicContact CB-CE1 4.36Å; R161-F374 HydrophobicContact CB-CE1 4.04Å; R161-F374 HydrophobicContact CB-CZ 4.08Å; R161-F374 HydrophobicContact CG-CD2 4.49Å; R161-F374 HydrophobicContact CG-CE1 3.95Å; R161-F374 HydrophobicContact CG-CE2 3.85Å; R161-F374 HydrophobicContact CG-CZ 3.57Å; A372-F374 HydrophobicContact CB-CE1 4.39Å; F374-T386 HydrophobicContact CB-CG2 4.43Å; F374-T386 PolarHBondContact O-N 3.45Å; F374-T386 PolarHBondContact O-OG1 2.84Å; F374-L401 HydrophobicContact CZ-CD2 4.32Å; F374-G491 WeakPolarHBondContact CB-O 3.21Å; F374-A492 HydrophobicContact CD1-CB 4.1Å; F374-A492 HydrophobicContact CE1-CB 4.3Å; F374-N524 HydrophobicContact CD1-CB 4.16Å
375	Y	96.8	Very high	94.7	Very high	3 Å²	3	92.3 Å²	92.3	1%	0.012	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	154.6	-166.7	-57.4	-82.8	0	0	0	114.1	P125 V148 E149 R373 L383 V384 N385 G491 N524 M525 Q526	P125-Y375 HydrophobicContact CB-CD2 4.04Å; P125-Y375 HydrophobicContact CB-CE2 4.3Å; P125-Y375 HydrophobicContact CG-CD2 3.72Å; P125-Y375 HydrophobicContact CG-CE2 4.41Å; P125-Y375 HydrophobicContact CG-CG 3.92Å; V148-Y375 HydrophobicContact CB-CE1 4.26Å; V148-Y375 HydrophobicContact CG2-CE1 4.13Å; V148-Y375 HydrophobicContact CG2-CE2 3.81Å; V148-Y375 PolarHBondContact N-OH 2.76Å; E149-Y375 WeakPolarHBondContact OE2-CE1 3.5Å; E149-Y375 PolarHBondContact OE2-OH 2.98Å; R373-Y375 HydrophobicContact CB-CE1 4.47Å; R373-Y375 HydrophobicContact CB-CE2 3.73Å; R373-Y375 WeakPolarHBondContact CB-OH 3.43Å; Y375-L383 HydrophobicContact CD1-CD2 4.27Å; Y375-L383 HydrophobicContact CD1-CG 4.22Å; Y375-L383 HydrophobicContact CG-CD1 4.36Å; Y375-L383 HydrophobicContact CG-CD2 4.5Å; Y375-L383 HydrophobicContact CG-CG 4.42Å; Y375-V384 WeakPolarHBondContact CA-O 3.22Å; Y375-N385 WeakPolarHBondContact CE1-OD1 3.44Å; Y375-G491 WeakPolarHBondContact O-CA 3.41Å; Y375-N524 PolarHBondContact N-O 2.88Å; Y375-M525 WeakPolarHBondContact O-CA 3.25Å; Y375-Q526 PolarHBondContact O-N 3.19Å
376	V	95.2	Very high	94.9	Very high	36 Å²	36	85.8 Å²	85.8	22%	0.218	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	149.7	174.2	68.3	0	0	0	0	110.5	V384 T386 Q526	V376-V384 HydrophobicContact CG1-CG2 3.95Å; V376-V384 PolarHBondContact N-O 2.94Å; V376-V384 VanDerWaalsContact O-CG2 3.3Å; V376-V384 WeakPolarHBondContact O-CG2 3.45Å; V376-V384 PolarHBondContact O-N 3.32Å; V376-T386 HydrophobicContact CB-CG2 3.95Å; V376-T386 HydrophobicContact CG1-CG2 3.95Å; V376-Q526 HydrophobicContact CG2-CB 4.3Å
377	Y	92.8	Very high	94.8	Very high	94 Å²	94	85.7 Å²	85.7	37%	0.369	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	121.3	168.4	-77.5	-71.1	0	0	0	111	V122 G123 K381 L383 M525	V122-Y377 WeakPolarHBondContact O-CE2 3.35Å; G123-Y377 WeakPolarHBondContact CA-OH 3.39Å; G123-Y377 PolarHBondContact O-OH 3.35Å; Y377-K381 WeakPolarHBondContact CD1-O 3.25Å; Y377-L383 HydrophobicContact CD1-CB 4.5Å; Y377-L383 HydrophobicContact CE1-CB 4.08Å; Y377-L383 HydrophobicContact CE1-CD1 4.33Å; Y377-L383 HydrophobicContact CE2-CD1 4.44Å; Y377-M525 HydrophobicContact CD2-CE 4.47Å; Y377-M525 HydrophobicContact CD2-SD 3.75Å; Y377-M525 HydrophobicContact CE2-CE 4.03Å; Y377-M525 HydrophobicContact CE2-SD 3.5Å; Y377-M525 VanDerWaalsContact CE2-SD 3.5Å
378	N	90.6	Very high	94.5	Very high	44 Å²	44	84.2 Å²	84.2	24%	0.235	38%	0.379	C	S	.	.			trans	-73.5	175.9	174.1	65.8	39.9	0	0	0	112.4	K380 K381 R382 V384	N378-K380 PolarHBondContact O-N 2.97Å; N378-K380 WeakPolarHBondContact OD1-CA 2.78Å; N378-K380 WeakPolarHBondContact OD1-CB 3.38Å; N378-K380 PolarHBondContact OD1-N 2.73Å; N378-K381 PolarHBondContact O-N 3.12Å; N378-K381 PolarHBondContact OD1-N 3.46Å; N378-R382 VanDerWaalsContact CG-O 3.31Å; N378-R382 PolarHBondContact N-O 3.33Å; N378-R382 PolarHBondContact ND2-O 3.26Å; N378-R382 PolarHBondContact OD1-N 2.75Å; N378-V384 HydrophobicContact CB-CG2 4.05Å; N378-V384 WeakPolarHBondContact ND2-CG1 3.2Å
379	K	89.9	Confident	94.4	Very high	193 Å²	193	83 Å²	83	84%	0.839	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-20.5	179.9	-62.6	-174.4	-177.8	-175.3	0	114.3
380	K	93.2	Very high	94.3	Very high	161 Å²	161	74.5 Å²	74.5	70%	0.7	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	14.9	175.1	-58	-169.3	178.9	-171.8	0	113.2	N378 R382	N378-K380 PolarHBondContact O-N 2.97Å; N378-K380 WeakPolarHBondContact OD1-CA 2.78Å; N378-K380 WeakPolarHBondContact OD1-CB 3.38Å; N378-K380 PolarHBondContact OD1-N 2.73Å; K380-R382 HydrophobicContact CB-CG 4.47Å; K380-R382 PolarHBondContact O-N 3.4Å; K380-R382 VanDerWaalsContact O-N 3.16Å
381	K	91.8	Very high	94.2	Very high	174 Å²	174	70 Å²	70	76%	0.757	32%	0.316	S	S	*	.	S	Bend	trans	56.5	26	-178	-61.6	-66.5	-169.3	167.7	0	114.6	Y377 N378	Y377-K381 WeakPolarHBondContact CD1-O 3.25Å; N378-K381 PolarHBondContact O-N 3.12Å; N378-K381 PolarHBondContact OD1-N 3.46Å
382	R	94	Very high	94	Very high	152 Å²	152	66.9 Å²	66.9	57%	0.574	31%	0.305	S	S	*	.			trans	-97.1	135.4	172	-56.8	-178.9	-62.1	175.2	9.6	109.6	N378 K380	N378-R382 VanDerWaalsContact CG-O 3.31Å; N378-R382 PolarHBondContact N-O 3.33Å; N378-R382 PolarHBondContact ND2-O 3.26Å; N378-R382 PolarHBondContact OD1-N 2.75Å; K380-R382 HydrophobicContact CB-CG 4.47Å; K380-R382 PolarHBondContact O-N 3.4Å; K380-R382 VanDerWaalsContact O-N 3.16Å
383	L	94.6	Very high	93.9	Very high	61 Å²	61	66.8 Å²	66.8	32%	0.319	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	133	171	-168.8	76.1	0	0	0	109	P125 V148 Y375 Y377 M525	P125-L383 HydrophobicContact CG-CD1 3.74Å; P125-L383 HydrophobicContact CG-CD2 3.67Å; P125-L383 HydrophobicContact CG-CG 4.31Å; V148-L383 HydrophobicContact CG2-CD2 4.48Å; Y375-L383 HydrophobicContact CD1-CD2 4.27Å; Y375-L383 HydrophobicContact CD1-CG 4.22Å; Y375-L383 HydrophobicContact CG-CD1 4.36Å; Y375-L383 HydrophobicContact CG-CD2 4.5Å; Y375-L383 HydrophobicContact CG-CG 4.42Å; Y377-L383 HydrophobicContact CD1-CB 4.5Å; Y377-L383 HydrophobicContact CE1-CB 4.08Å; Y377-L383 HydrophobicContact CE1-CD1 4.33Å; Y377-L383 HydrophobicContact CE2-CD1 4.44Å; L383-M525 HydrophobicContact CD1-SD 4.25Å
384	V	95.8	Very high	93.7	Very high	55 Å²	55	60.7 Å²	60.7	33%	0.333	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	155.4	174.9	-68.2	0	0	0	0	110.4	Y375 V376 N378	Y375-V384 WeakPolarHBondContact CA-O 3.22Å; V376-V384 HydrophobicContact CG1-CG2 3.95Å; V376-V384 PolarHBondContact N-O 2.94Å; V376-V384 VanDerWaalsContact O-CG2 3.3Å; V376-V384 WeakPolarHBondContact O-CG2 3.45Å; V376-V384 PolarHBondContact O-N 3.32Å; N378-V384 HydrophobicContact CB-CG2 4.05Å; N378-V384 WeakPolarHBondContact ND2-CG1 3.2Å
385	N	95.8	Very high	93.7	Very high	79 Å²	79	61.2 Å²	61.2	42%	0.422	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	143.7	166.1	-77.3	-57.8	0	0	0	111.2	E149 Y375	E149-N385 PolarHBondContact OE1-ND2 2.97Å; Y375-N385 WeakPolarHBondContact CE1-OD1 3.44Å
386	T	94	Very high	93.7	Very high	24 Å²	24	61.1 Å²	61.1	15%	0.147	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-71.9	148.2	170.7	58.5	0	0	0	0	112.3	F374 V376 V490	F374-T386 HydrophobicContact CB-CG2 4.43Å; F374-T386 PolarHBondContact O-N 3.45Å; F374-T386 PolarHBondContact O-OG1 2.84Å; V376-T386 HydrophobicContact CB-CG2 3.95Å; V376-T386 HydrophobicContact CG1-CG2 3.95Å; T386-V490 HydrophobicContact CG2-CG1 3.95Å
387	P	90.9	Very high	93.7	Very high	54 Å²	54	59.4 Å²	59.4	35%	0.351	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-60.8	154.5	171.2	29	-37.2	0	0	0	111.3	Y293 V389	Y293-P387 HydrophobicContact CD1-CG 3.66Å; Y293-P387 HydrophobicContact CE1-CG 3.79Å; P387-V389 PolarHBondContact O-N 2.87Å
388	Y	90.6	Very high	93.8	Very high	91 Å²	91	55.3 Å²	55.3	36%	0.357	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-56.8	135.6	166.5	177	-111.7	0	0	0	110.6	R295 N364 D390	R295-Y388 HydrophobicContact CB-CD1 4.07Å; R295-Y388 HydrophobicContact CB-CE1 4.08Å; R295-Y388 HydrophobicContact CG-CD1 3.9Å; R295-Y388 HydrophobicContact CG-CE1 4.38Å; N364-Y388 HydrophobicContact CB-CD2 4.29Å; N364-Y388 HydrophobicContact CB-CE2 3.57Å; Y388-D390 HydrophobicContact CE1-CB 4.34Å; Y388-D390 PolarHBondContact OH-OD2 2.76Å
389	V	92.8	Very high	94.1	Very high	6 Å²	6	53.2 Å²	53.2	4%	0.036	25%	0.247	C	C	.	.			trans	-137.3	141.2	171.3	-58.4	0	0	0	0	108.6	Y293 L294 P387 V490	Y293-V389 HydrophobicContact CD1-CG1 3.83Å; Y293-V389 HydrophobicContact CG-CG1 4.44Å; L294-V389 CarbonylContact O-C 3.58Å; L294-V389 WeakPolarHBondContact O-CA 3.28Å; P387-V389 PolarHBondContact O-N 2.87Å; V389-V490 HydrophobicContact CG1-CB 4.31Å; V389-V490 HydrophobicContact CG1-CG1 4.15Å; V389-V490 HydrophobicContact CG1-CG2 4.09Å; V389-V490 HydrophobicContact CG2-CB 4.26Å
390	D	94.2	Very high	94.5	Very high	13 Å²	13	44 Å²	44	7%	0.07	21%	0.208	C	C	.	.			trans	-95.6	132.9	171.2	-158.8	-61.9	0	0	0	109.3	L294 E296 K297 Y388 S392 Y393	L294-D390 PolarHBondContact O-N 3.42Å; E296-D390 WeakPolarHBondContact O-CB 3.45Å; K297-D390 WeakPolarHBondContact CB-OD2 3.41Å; Y388-D390 HydrophobicContact CE1-CB 4.34Å; Y388-D390 PolarHBondContact OH-OD2 2.76Å; D390-S392 VanDerWaalsContact OD1-CB 3.25Å; D390-S392 WeakPolarHBondContact OD1-CB 3.33Å; D390-S392 PolarHBondContact OD1-N 3.3Å; D390-S392 PolarHBondContact OD1-OG 3.32Å; D390-Y393 WeakPolarHBondContact O-CE1 3.42Å
391	N	94.8	Very high	94.7	Very high	7 Å²	7	36.4 Å²	36.4	4%	0.037	17%	0.174	C	C	.	.			trans	-110.8	3.3	-174.8	-72.2	-25.9	0	0	0	113.2	E362 Y393 K394 W395	E362-N391 PolarHBondContact OE2-ND2 3.08Å; N391-Y393 VanDerWaalsContact C-N 3.31Å; N391-Y393 PolarHBondContact O-N 3.48Å; N391-K394 HydrophobicContact CB-CG 4.4Å; N391-K394 CarbonylContact O-C 3.36Å; N391-K394 WeakPolarHBondContact O-CG 3.38Å; N391-K394 PolarHBondContact O-N 3.35Å; N391-K394 WeakPolarHBondContact OD1-CE 3.22Å; N391-K394 PolarHBondContact OD1-NZ 2.91Å; N391-W395 PolarHBondContact O-N 2.85Å
392	S	94.9	Very high	95	Very high	4 Å²	4	28.1 Å²	28.1	3%	0.028	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-53.7	-42	-178.9	50.8	0	0	0	0	113.8	F298 D390 K394 W395	F298-S392 PolarHBondContact N-OG 2.65Å; D390-S392 VanDerWaalsContact OD1-CB 3.25Å; D390-S392 WeakPolarHBondContact OD1-CB 3.33Å; D390-S392 PolarHBondContact OD1-N 3.3Å; D390-S392 PolarHBondContact OD1-OG 3.32Å; S392-K394 PolarHBondContact O-N 3.13Å; S392-K394 VanDerWaalsContact O-N 3.09Å; S392-W395 VanDerWaalsContact CA-CE2 3.5Å; S392-W395 VanDerWaalsContact O-CE3 3.32Å
393	Y	94.4	Very high	95.3	Very high	1 Å²	1	21.3 Å²	21.3	0%	0.004	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-65.5	-10.5	175.1	79.7	-89.4	0	0	0	115.1	Y223 E291 L294 F298 L307 F326 T329 D390 N391	Y223-Y393 HydrophobicContact CE1-CE2 4.23Å; Y223-Y393 WeakPolarHBondContact CE1-OH 3.32Å; E291-Y393 PolarHBondContact O-OH 3.05Å; L294-Y393 HydrophobicContact CB-CE1 3.96Å; L294-Y393 HydrophobicContact CD2-CD1 3.87Å; L294-Y393 HydrophobicContact CD2-CE1 3.98Å; L294-Y393 HydrophobicContact CD2-CG 4.46Å; F298-Y393 HydrophobicContact CE2-CD1 4.41Å; L307-Y393 HydrophobicContact CD1-CD1 4.49Å; L307-Y393 HydrophobicContact CD1-CD2 3.85Å; L307-Y393 HydrophobicContact CD1-CG 3.8Å; F326-Y393 HydrophobicContact CD1-CD2 4.38Å; F326-Y393 HydrophobicContact CD1-CE2 4.45Å; F326-Y393 AromaticContact CE1-CD2 3.78Å; F326-Y393 HydrophobicContact CE1-CD2 3.78Å; F326-Y393 AromaticContact CE1-CE2 3.68Å; F326-Y393 HydrophobicContact CE1-CE2 3.68Å; F326-Y393 HydrophobicContact CZ-CE2 4.2Å; T329-Y393 WeakPolarHBondContact CB-O 3.25Å; T329-Y393 WeakPolarHBondContact CG2-O 3.42Å; T329-Y393 PolarHBondContact OG1-O 2.95Å; D390-Y393 WeakPolarHBondContact O-CE1 3.42Å; N391-Y393 VanDerWaalsContact C-N 3.31Å; N391-Y393 PolarHBondContact O-N 3.48Å
394	K	94	Very high	95.5	Very high	12 Å²	12	18.4 Å²	18.4	5%	0.052	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-144.4	24.2	-170.1	64.6	171.4	172.2	-148.7	0	115.1	L292 T325 N391 S392 A396 G397 G398 G399	L292-K394 PolarHBondContact O-NZ 2.98Å; T325-K394 HydrophobicContact CG2-CB 3.62Å; T325-K394 HydrophobicContact CG2-CD 4.07Å; T325-K394 HydrophobicContact CG2-CG 4.46Å; N391-K394 HydrophobicContact CB-CG 4.4Å; N391-K394 CarbonylContact O-C 3.36Å; N391-K394 WeakPolarHBondContact O-CG 3.38Å; N391-K394 PolarHBondContact O-N 3.35Å; N391-K394 WeakPolarHBondContact OD1-CE 3.22Å; N391-K394 PolarHBondContact OD1-NZ 2.91Å; S392-K394 PolarHBondContact O-N 3.13Å; S392-K394 VanDerWaalsContact O-N 3.09Å; K394-A396 VanDerWaalsContact C-N 3.31Å; K394-A396 PolarHBondContact O-N 2.93Å; K394-G397 CarbonylContact O-C 3.59Å; K394-G397 WeakPolarHBondContact O-CA 3.37Å; K394-G397 PolarHBondContact O-N 3.37Å; K394-G398 PolarHBondContact O-N 3.25Å; K394-G399 PolarHBondContact O-N 3.48Å
395	W	96.3	Very high	95.6	Very high	21 Å²	21	16.5 Å²	16.5	8%	0.08	9%	0.09	C	C	.	.	H	α-helix	trans	-49.7	-51.5	176.5	-70.9	-51	0	0	0	111.8	S166 Y343 L344 Q361 E362 E363 N391 S392 G397 G398 G399 F400	S166-W395 WeakPolarHBondContact CB-O 3.48Å; Y343-W395 HydrophobicContact CD1-CB 4.42Å; Y343-W395 HydrophobicContact CE1-CB 3.91Å; L344-W395 HydrophobicContact CD1-CD2 4.15Å; L344-W395 HydrophobicContact CD1-CE3 3.81Å; L344-W395 HydrophobicContact CD1-CH2 3.7Å; L344-W395 HydrophobicContact CD1-CZ2 4.03Å; L344-W395 HydrophobicContact CD1-CZ3 3.58Å; L344-W395 HydrophobicContact CD2-CB 4.19Å; L344-W395 HydrophobicContact CD2-CD2 3.88Å; L344-W395 HydrophobicContact CD2-CE3 3.84Å; L344-W395 HydrophobicContact CD2-CG 4.09Å; L344-W395 HydrophobicContact CD2-CZ3 4.47Å; L344-W395 HydrophobicContact CG-CD2 4.34Å; L344-W395 HydrophobicContact CG-CE3 3.88Å; L344-W395 HydrophobicContact CG-CZ3 4.04Å; Q361-W395 HydrophobicContact CB-CD2 4.41Å; Q361-W395 HydrophobicContact CB-CG 4.26Å; Q361-W395 HydrophobicContact CG-CZ2 4.37Å; E362-W395 PolarHBondContact O-NE1 3.2Å; E362-W395 VanDerWaalsContact O-NE1 3.11Å; E363-W395 HydrophobicContact CG-CZ2 4Å; N391-W395 PolarHBondContact O-N 2.85Å; S392-W395 VanDerWaalsContact CA-CE2 3.5Å; S392-W395 VanDerWaalsContact O-CE3 3.32Å; W395-G397 VanDerWaalsContact C-N 3.27Å; W395-G397 PolarHBondContact O-N 2.88Å; W395-G398 PolarHBondContact O-N 3.13Å; W395-G399 PolarHBondContact O-N 3.08Å; W395-F400 HydrophobicContact CB-CZ 4.36Å
396	A	97.6	Very high	95.8	Very high	1 Å²	1	13 Å²	13	1%	0.008	7%	0.072	C	C	.	.	H	α-helix	trans	-57	-32.9	172.8	0	0	0	0	0	115.8	S166 K167 T170 Y328 A332 Y343 K394	S166-A396 CarbonylContact C-O 3.5Å; S166-A396 VanDerWaalsContact C-O 3.27Å; K167-A396 WeakPolarHBondContact CA-O 3.18Å; K167-A396 PolarHBondContact N-O 3.44Å; T170-A396 HydrophobicContact CG2-CB 3.95Å; T170-A396 VanDerWaalsContact OG1-CA 3.3Å; T170-A396 WeakPolarHBondContact OG1-CA 3.45Å; T170-A396 WeakPolarHBondContact OG1-CB 3.5Å; T170-A396 PolarHBondContact OG1-O 3.41Å; Y328-A396 WeakPolarHBondContact O-CB 3.43Å; A332-A396 HydrophobicContact CB-CB 3.79Å; Y343-A396 HydrophobicContact CE1-CB 4.08Å; Y343-A396 HydrophobicContact CE2-CB 4.07Å; Y343-A396 WeakPolarHBondContact OH-CA 3.41Å; Y343-A396 WeakPolarHBondContact OH-CB 3.26Å; K394-A396 VanDerWaalsContact C-N 3.31Å; K394-A396 PolarHBondContact O-N 2.93Å
397	G	95.6	Very high	96	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-87	-24.5	-177.3	0	0	0	0	0	113.9	K167 K394 W395	K167-G397 PolarHBondContact NZ-O 3.21Å; K394-G397 CarbonylContact O-C 3.59Å; K394-G397 WeakPolarHBondContact O-CA 3.37Å; K394-G397 PolarHBondContact O-N 3.37Å; W395-G397 VanDerWaalsContact C-N 3.27Å; W395-G397 PolarHBondContact O-N 2.88Å
398	G	94.9	Very high	96.4	Very high	8 Å²	8	9.4 Å²	9.4	8%	0.082	5%	0.048	C	C	.	.	H	α-helix	trans	170.5	25.7	-177.9	0	0	0	0	0	116.9	A163 S166 K394 W395	A163-G398 VanDerWaalsContact O-CA 3.29Å; A163-G398 WeakPolarHBondContact O-CA 3.36Å; S166-G398 WeakPolarHBondContact OG-CA 3.47Å; K394-G398 PolarHBondContact O-N 3.25Å; W395-G398 PolarHBondContact O-N 3.13Å
399	G	95.3	Very high	96.8	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.047	C	C	.	.			trans	-110.2	10.9	-171.6	0	0	0	0	0	115.8	S166 E362 K394 W395	S166-G399 PolarHBondContact OG-N 2.94Å; E362-G399 WeakPolarHBondContact CB-O 3.09Å; E362-G399 PolarHBondContact N-O 3.41Å; K394-G399 PolarHBondContact O-N 3.48Å; W395-G399 PolarHBondContact O-N 3.08Å
400	F	98.3	Very high	97.1	Very high	1 Å²	1	8.4 Å²	8.4	0%	0.004	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	153.1	173.1	-66.3	-65.9	0	0	0	113	I162 S166 L169 Y343 L344 M347 F351 V360 Q361 W395	I162-F400 HydrophobicContact CD1-CB 3.96Å; I162-F400 HydrophobicContact CG1-CB 3.98Å; I162-F400 WeakPolarHBondContact CG1-O 3.37Å; I162-F400 PolarHBondContact N-O 3.48Å; I162-F400 VanDerWaalsContact N-O 3.11Å; S166-F400 WeakPolarHBondContact OG-CD2 3.5Å; S166-F400 PolarHBondContact OG-N 2.98Å; L169-F400 HydrophobicContact CD1-CD2 4.41Å; Y343-F400 HydrophobicContact CE1-CE2 4.31Å; Y343-F400 AromaticContact CE1-CZ 3.76Å; Y343-F400 HydrophobicContact CE1-CZ 3.76Å; Y343-F400 WeakPolarHBondContact OH-CE2 3.29Å; Y343-F400 WeakPolarHBondContact OH-CZ 3.38Å; L344-F400 HydrophobicContact CD2-CE1 4.09Å; L344-F400 HydrophobicContact CD2-CZ 4.39Å; M347-F400 HydrophobicContact CB-CE1 4.5Å; M347-F400 HydrophobicContact CB-CZ 4.06Å; M347-F400 HydrophobicContact CE-CE2 4.27Å; M347-F400 HydrophobicContact CE-CZ 4.35Å; M347-F400 HydrophobicContact CG-CZ 3.95Å; F351-F400 AromaticContact CE2-CD1 3.9Å; F351-F400 HydrophobicContact CE2-CD1 3.9Å; F351-F400 AromaticContact CE2-CE1 3.75Å; F351-F400 HydrophobicContact CE2-CE1 3.75Å; F351-F400 HydrophobicContact CE2-CZ 4.3Å; F351-F400 AromaticContact CZ-CD1 3.89Å; F351-F400 HydrophobicContact CZ-CD1 3.89Å; F351-F400 HydrophobicContact CZ-CD2 4.25Å; F351-F400 AromaticContact CZ-CE1 3.78Å; F351-F400 HydrophobicContact CZ-CE1 3.78Å; F351-F400 HydrophobicContact CZ-CE2 4.14Å; F351-F400 HydrophobicContact CZ-CG 4.16Å; F351-F400 AromaticContact CZ-CZ 3.92Å; F351-F400 HydrophobicContact CZ-CZ 3.92Å; V360-F400 WeakPolarHBondContact O-CA 3.45Å; Q361-F400 HydrophobicContact CB-CD1 4.29Å; Q361-F400 HydrophobicContact CB-CE1 4.2Å; W395-F400 HydrophobicContact CB-CZ 4.36Å
401	L	98.6	Very high	97.3	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	151.8	164.4	-49.8	-178.4	0	0	0	109.4	V159 M160 R161 T359 V360 E362 I368 R371 F374	V159-L401 HydrophobicContact CG1-CB 3.58Å; V159-L401 HydrophobicContact CG1-CD1 4.06Å; V159-L401 HydrophobicContact CG1-CG 4.45Å; M160-L401 CarbonylContact O-C 3.57Å; M160-L401 VanDerWaalsContact O-CA 3.25Å; M160-L401 WeakPolarHBondContact O-CA 3.28Å; R161-L401 HydrophobicContact CB-CD2 4.15Å; R161-L401 HydrophobicContact CG-CD2 3.57Å; T359-L401 WeakPolarHBondContact CA-O 3.47Å; V360-L401 HydrophobicContact CG2-CB 4.31Å; V360-L401 PolarHBondContact N-O 3.33Å; V360-L401 VanDerWaalsContact N-O 3.16Å; V360-L401 PolarHBondContact O-N 2.86Å; E362-L401 HydrophobicContact CB-CD1 4.38Å; E362-L401 HydrophobicContact CB-CD2 3.83Å; E362-L401 HydrophobicContact CB-CG 3.89Å; E362-L401 HydrophobicContact CG-CD1 4.28Å; E362-L401 HydrophobicContact CG-CD2 3.94Å; E362-L401 HydrophobicContact CG-CG 4.22Å; I368-L401 HydrophobicContact CD1-CD1 3.61Å; I368-L401 HydrophobicContact CG2-CD1 4.28Å; R371-L401 HydrophobicContact CG-CD1 4.4Å; F374-L401 HydrophobicContact CZ-CD2 4.32Å
402	S	98.7	Very high	97.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	170.3	176.4	-169.6	0	0	0	0	111	M160 T359 D406	M160-S402 PolarHBondContact N-O 2.86Å; M160-S402 PolarHBondContact O-N 3.47Å; T359-S402 PolarHBondContact OG1-OG 2.67Å; T359-S402 VanDerWaalsContact OG1-OG 3.12Å; S402-D406 WeakPolarHBondContact OG-CB 3.44Å
403	T	98.8	Very high	97.6	Very high	9 Å²	9	9.4 Å²	9.4	6%	0.055	5%	0.054	C	C	.	.			trans	-91.7	171.2	157.7	62.7	0	0	0	0	110.7	V159 T358 D406	V159-T403 HydrophobicContact CG2-CG2 4.03Å; T358-T403 HydrophobicContact CG2-CG2 3.8Å; T403-D406 PolarHBondContact OG1-N 3.04Å
404	V	98.7	Very high	97.8	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.006	5%	0.054	C	C	.	.	H	α-helix	trans	-68.8	-36.5	169.6	-70.9	0	0	0	0	112.2	V128 S140 D406 L407 L408 I522	V128-V404 HydrophobicContact CB-CG1 4.23Å; V128-V404 HydrophobicContact CG1-CB 4.47Å; V128-V404 HydrophobicContact CG1-CG1 3.9Å; V128-V404 HydrophobicContact CG1-CG2 3.7Å; S140-V404 VanDerWaalsContact OG-CG2 3.26Å; S140-V404 WeakPolarHBondContact OG-CG2 3.29Å; V404-D406 PolarHBondContact O-N 2.62Å; V404-L407 CarbonylContact O-C 3.53Å; V404-L407 PolarHBondContact O-N 3.25Å; V404-L407 VanDerWaalsContact O-N 3.13Å; V404-L408 WeakPolarHBondContact O-CG 3.4Å; V404-L408 PolarHBondContact O-N 3.16Å; V404-I522 HydrophobicContact CG1-CD1 3.88Å; V404-I522 HydrophobicContact CG1-CG1 3.91Å
405	G	98.7	Very high	98	Very high	15 Å²	15	8.9 Å²	8.9	16%	0.155	5%	0.051	C	C	.	.	H	α-helix	trans	-61.4	-44.9	180	0	0	0	0	0	112.7	L407 L408 K409	G405-L407 VanDerWaalsContact C-N 3.3Å; G405-L407 PolarHBondContact O-N 3.2Å; G405-L408 WeakPolarHBondContact O-CB 3.36Å; G405-L408 PolarHBondContact O-N 3.18Å; G405-L408 VanDerWaalsContact O-N 3.14Å; G405-K409 WeakPolarHBondContact O-CG 3.34Å; G405-K409 PolarHBondContact O-N 2.76Å
406	D	98.9	Very high	98	Very high	6 Å²	6	9.7 Å²	9.7	3%	0.032	6%	0.055	C	C	.	.	H	α-helix	trans	-59.7	-40	173.4	-78.5	17.2	0	0	0	111.7	M356 T358 T359 S402 T403 V404 K409 F410	M356-D406 WeakPolarHBondContact CA-OD2 3.28Å; M356-D406 HydrophobicContact CB-CB 4.1Å; M356-D406 HydrophobicContact CE-CB 4.2Å; M356-D406 HydrophobicContact CG-CB 4.3Å; T358-D406 VanDerWaalsContact CA-OD2 3.3Å; T358-D406 WeakPolarHBondContact CA-OD2 3.33Å; T358-D406 WeakPolarHBondContact CB-OD2 3.37Å; T358-D406 PolarHBondContact N-OD2 3.35Å; T358-D406 PolarHBondContact OG1-OD1 2.87Å; T359-D406 PolarHBondContact N-OD2 2.98Å; T359-D406 WeakPolarHBondContact OG1-CB 3.04Å; T359-D406 PolarHBondContact OG1-OD2 2.84Å; S402-D406 WeakPolarHBondContact OG-CB 3.44Å; T403-D406 PolarHBondContact OG1-N 3.04Å; V404-D406 PolarHBondContact O-N 2.62Å; D406-K409 PolarHBondContact O-N 3.2Å; D406-F410 PolarHBondContact O-N 2.67Å
407	L	98.9	Very high	97.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-69.8	-29.7	176.1	-70.5	-171.7	0	0	0	113.3	I162 I165 M356 V404 G405 G411 L496 S520 I522	I162-L407 HydrophobicContact CB-CD1 4.43Å; I162-L407 HydrophobicContact CD1-CD2 4.11Å; I162-L407 HydrophobicContact CG2-CD1 3.71Å; I162-L407 HydrophobicContact CG2-CD2 4.43Å; I162-L407 HydrophobicContact CG2-CG 4.28Å; I165-L407 HydrophobicContact CD1-CD1 3.86Å; I165-L407 HydrophobicContact CG2-CD2 3.89Å; M356-L407 HydrophobicContact CE-CD2 4.33Å; V404-L407 CarbonylContact O-C 3.53Å; V404-L407 PolarHBondContact O-N 3.25Å; V404-L407 VanDerWaalsContact O-N 3.13Å; G405-L407 VanDerWaalsContact C-N 3.3Å; G405-L407 PolarHBondContact O-N 3.2Å; L407-G411 PolarHBondContact O-N 3.21Å; L407-L496 HydrophobicContact CB-CD1 4.46Å; L407-S520 VanDerWaalsContact CD1-OG 3.22Å; L407-S520 WeakPolarHBondContact CD1-OG 3.25Å; L407-I522 HydrophobicContact CD1-CD1 4.12Å; L407-I522 HydrophobicContact CD1-CG1 4.35Å
408	L	98.9	Very high	97.9	Very high	2 Å²	2	12.5 Å²	12.5	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-67.8	-43.7	170.9	-68.2	-178	0	0	0	111.3	E137 V404 G405 F410 G411 N412 I518	E137-L408 HydrophobicContact CB-CD1 4.16Å; E137-L408 HydrophobicContact CG-CD1 3.7Å; V404-L408 WeakPolarHBondContact O-CG 3.4Å; V404-L408 PolarHBondContact O-N 3.16Å; G405-L408 WeakPolarHBondContact O-CB 3.36Å; G405-L408 PolarHBondContact O-N 3.18Å; G405-L408 VanDerWaalsContact O-N 3.14Å; L408-F410 PolarHBondContact O-N 2.67Å; L408-G411 PolarHBondContact O-N 3.24Å; L408-N412 WeakPolarHBondContact O-CB 3.14Å; L408-N412 VanDerWaalsContact O-CG 3.23Å; L408-N412 PolarHBondContact O-N 2.91Å; L408-N412 PolarHBondContact O-ND2 2.83Å; L408-I518 HydrophobicContact CD2-CB 4.17Å; L408-I518 HydrophobicContact CD2-CG2 3.86Å; L408-I518 WeakPolarHBondContact CD2-O 3.3Å
409	K	98.8	Very high	97.8	Very high	75 Å²	75	12.3 Å²	12.3	33%	0.326	6%	0.062	S	C	.	.	H	α-helix	trans	-57.2	-48.5	173.7	-65.5	176.7	-168.7	-175.3	0	111.2	D355 G405 D406 G411 N412 A413	D355-K409 HydrophobicContact CB-CD 4.16Å; D355-K409 VanDerWaalsContact CG-NZ 3.28Å; D355-K409 WeakPolarHBondContact O-CD 3.3Å; D355-K409 PolarHBondContact O-NZ 3.41Å; D355-K409 IonicContact OD1-NZ 3.12Å; D355-K409 WeakPolarHBondContact OD2-CE 3.37Å; D355-K409 IonicContact OD2-NZ 2.69Å; D355-K409 PolarHBondContact OD2-NZ 3.4Å; G405-K409 WeakPolarHBondContact O-CG 3.34Å; G405-K409 PolarHBondContact O-N 2.76Å; D406-K409 PolarHBondContact O-N 3.2Å; K409-G411 PolarHBondContact O-N 2.76Å; K409-N412 PolarHBondContact O-N 3.45Å; K409-A413 PolarHBondContact O-N 3.06Å
410	F	98.9	Very high	97.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-55.5	-52.5	174.6	176.1	-121.6	0	0	0	112.2	L169 V172 L354 M356 D406 L408 N412 A413 M414 W464 L496	L169-F410 HydrophobicContact CD2-CB 4.47Å; L169-F410 HydrophobicContact CD2-CD1 3.8Å; L169-F410 HydrophobicContact CD2-CD2 3.6Å; L169-F410 HydrophobicContact CD2-CE1 3.89Å; L169-F410 HydrophobicContact CD2-CE2 3.66Å; L169-F410 HydrophobicContact CD2-CG 3.68Å; L169-F410 HydrophobicContact CD2-CZ 3.82Å; V172-F410 HydrophobicContact CG2-CE2 3.72Å; V172-F410 HydrophobicContact CG2-CZ 4.18Å; L354-F410 HydrophobicContact CD1-CD2 4.09Å; M356-F410 HydrophobicContact CE-CB 3.95Å; M356-F410 HydrophobicContact SD-CB 3.74Å; M356-F410 HydrophobicContact SD-CD2 4.36Å; M356-F410 HydrophobicContact SD-CG 4.31Å; D406-F410 PolarHBondContact O-N 2.67Å; L408-F410 PolarHBondContact O-N 2.67Å; F410-N412 VanDerWaalsContact C-N 3.33Å; F410-N412 PolarHBondContact O-N 3.5Å; F410-A413 PolarHBondContact O-N 2.95Å; F410-M414 HydrophobicContact CD2-CG 4.29Å; F410-M414 HydrophobicContact CE2-CE 4.18Å; F410-M414 HydrophobicContact CE2-CG 3.88Å; F410-M414 HydrophobicContact CE2-SD 3.96Å; F410-M414 HydrophobicContact CZ-CG 3.99Å; F410-M414 HydrophobicContact CZ-SD 4.26Å; F410-M414 WeakPolarHBondContact O-CG 3.38Å; F410-M414 PolarHBondContact O-N 2.93Å; F410-M414 VanDerWaalsContact O-N 3.11Å; F410-W464 AromaticContact CE1-CH2 3.86Å; F410-W464 HydrophobicContact CE1-CH2 3.86Å; F410-W464 AromaticContact CE1-CZ2 3.7Å; F410-W464 HydrophobicContact CE1-CZ2 3.7Å; F410-W464 HydrophobicContact CZ-CH2 4.46Å; F410-W464 AromaticContact CZ-CZ2 3.85Å; F410-W464 HydrophobicContact CZ-CZ2 3.85Å; F410-L496 HydrophobicContact CD1-CD2 3.46Å; F410-L496 VanDerWaalsContact CD1-CD2 3.46Å; F410-L496 HydrophobicContact CE1-CD2 3.84Å
411	G	98.7	Very high	96.9	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-58.5	-43.7	177.9	0	0	0	0	0	112.5	L407 L408 K409 A413 M414 L415 I518	L407-G411 PolarHBondContact O-N 3.21Å; L408-G411 PolarHBondContact O-N 3.24Å; K409-G411 PolarHBondContact O-N 2.76Å; G411-A413 VanDerWaalsContact C-N 3.34Å; G411-A413 PolarHBondContact O-N 3.31Å; G411-M414 PolarHBondContact O-N 3.36Å; G411-L415 WeakPolarHBondContact O-CB 3.22Å; G411-L415 PolarHBondContact O-N 3.37Å; G411-I518 VanDerWaalsContact O-CD1 3.27Å; G411-I518 WeakPolarHBondContact O-CD1 3.38Å
412	N	98.7	Very high	96.2	Very high	22 Å²	22	18.3 Å²	18.3	12%	0.118	10%	0.1	C	C	.	.	H	α-helix	trans	-62.7	-42.1	-179	-77.8	-29.7	0	0	0	110.6	S132 G135 L408 K409 F410 M414 L415 Y416 I518	S132-N412 VanDerWaalsContact OG-CG 3.29Å; S132-N412 PolarHBondContact OG-ND2 3.27Å; S132-N412 PolarHBondContact OG-OD1 3.03Å; G135-N412 PolarHBondContact O-ND2 2.88Å; L408-N412 WeakPolarHBondContact O-CB 3.14Å; L408-N412 VanDerWaalsContact O-CG 3.23Å; L408-N412 PolarHBondContact O-N 2.91Å; L408-N412 PolarHBondContact O-ND2 2.83Å; K409-N412 PolarHBondContact O-N 3.45Å; F410-N412 VanDerWaalsContact C-N 3.33Å; F410-N412 PolarHBondContact O-N 3.5Å; N412-M414 PolarHBondContact O-N 2.93Å; N412-L415 PolarHBondContact O-N 3.29Å; N412-Y416 VanDerWaalsContact O-CB 3.28Å; N412-Y416 WeakPolarHBondContact O-CB 3.33Å; N412-Y416 PolarHBondContact O-N 2.97Å; N412-I518 HydrophobicContact CB-CD1 4.33Å; N412-I518 VanDerWaalsContact OD1-CD1 3.23Å; N412-I518 WeakPolarHBondContact OD1-CD1 3.28Å
413	A	98.4	Very high	95.2	Very high	24 Å²	24	18.3 Å²	18.3	20%	0.198	10%	0.1	C	C	.	.	H	α-helix	trans	-63.4	-39.1	175.9	0	0	0	0	0	112.6	L354 K409 F410 G411 G417	L354-A413 HydrophobicContact CD2-CB 3.72Å; K409-A413 PolarHBondContact O-N 3.06Å; F410-A413 PolarHBondContact O-N 2.95Å; G411-A413 VanDerWaalsContact C-N 3.34Å; G411-A413 PolarHBondContact O-N 3.31Å; A413-G417 PolarHBondContact O-N 3.21Å
414	M	98.4	Very high	93.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.8	-45.4	175.5	-62.9	-61.2	95	0	0	111.7	V172 F410 G411 N412 Y416 G417 Y418 L435 M440 M443 W444 W464	V172-M414 HydrophobicContact CG2-CE 3.8Å; V172-M414 HydrophobicContact CG2-SD 3.57Å; V172-M414 VanDerWaalsContact CG2-SD 3.57Å; F410-M414 HydrophobicContact CD2-CG 4.29Å; F410-M414 HydrophobicContact CE2-CE 4.18Å; F410-M414 HydrophobicContact CE2-CG 3.88Å; F410-M414 HydrophobicContact CE2-SD 3.96Å; F410-M414 HydrophobicContact CZ-CG 3.99Å; F410-M414 HydrophobicContact CZ-SD 4.26Å; F410-M414 WeakPolarHBondContact O-CG 3.38Å; F410-M414 PolarHBondContact O-N 2.93Å; F410-M414 VanDerWaalsContact O-N 3.11Å; G411-M414 PolarHBondContact O-N 3.36Å; N412-M414 PolarHBondContact O-N 2.93Å; M414-Y416 VanDerWaalsContact C-N 3.35Å; M414-Y416 PolarHBondContact O-N 2.96Å; M414-G417 PolarHBondContact O-N 3.39Å; M414-Y418 WeakPolarHBondContact O-CB 3.17Å; M414-Y418 PolarHBondContact O-N 3.11Å; M414-L435 HydrophobicContact CE-CD1 4.24Å; M414-L435 HydrophobicContact SD-CD1 4.32Å; M414-M440 HydrophobicContact CB-CE 3.79Å; M414-M440 HydrophobicContact CE-SD 4.41Å; M414-M440 HydrophobicContact CG-CE 4.33Å; M414-M440 HydrophobicContact SD-CE 3.89Å; M414-M440 HydrophobicContact SD-SD 3.68Å; M414-M440 VanDerWaalsContact SD-SD 3.68Å; M414-M443 HydrophobicContact SD-CE 4.34Å; M414-W444 HydrophobicContact CB-CH2 4.37Å; M414-W444 HydrophobicContact CB-CZ2 3.84Å; M414-W464 HydrophobicContact CG-CZ2 4.11Å
415	L	97.9	Very high	91.9	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-61.7	-42.9	176.4	-178.6	57.4	0	0	0	111.6	G411 N412 Y418 Q419 V498 P500 P514 I518	G411-L415 WeakPolarHBondContact O-CB 3.22Å; G411-L415 PolarHBondContact O-N 3.37Å; N412-L415 PolarHBondContact O-N 3.29Å; L415-Y418 PolarHBondContact O-N 3.26Å; L415-Q419 HydrophobicContact CD1-CG 4.21Å; L415-Q419 WeakPolarHBondContact O-CB 3.45Å; L415-Q419 WeakPolarHBondContact O-CG 3.41Å; L415-Q419 PolarHBondContact O-N 3.1Å; L415-V498 HydrophobicContact CB-CG1 4Å; L415-V498 HydrophobicContact CD1-CG1 3.99Å; L415-V498 HydrophobicContact CD2-CG1 4.15Å; L415-V498 HydrophobicContact CG-CG1 4.27Å; L415-P500 HydrophobicContact CD1-CB 3.9Å; L415-P500 HydrophobicContact CD1-CG 3.88Å; L415-P514 HydrophobicContact CB-CB 4.27Å; L415-P514 HydrophobicContact CD2-CB 4.06Å; L415-P514 HydrophobicContact CG-CB 3.91Å; L415-I518 HydrophobicContact CB-CD1 4.19Å; L415-I518 HydrophobicContact CD2-CD1 4.11Å; L415-I518 HydrophobicContact CD2-CG1 4.27Å
416	Y	96.6	Very high	90	Very high	39 Å²	39	31.1 Å²	31.1	15%	0.153	16%	0.159	C	C	.	.	H	α-helix	trans	-61	-49.6	175	-175.2	-95.1	0	0	0	111.7	N412 M414 Y418 Q419 V420 L431 P513 P514	N412-Y416 VanDerWaalsContact O-CB 3.28Å; N412-Y416 WeakPolarHBondContact O-CB 3.33Å; N412-Y416 PolarHBondContact O-N 2.97Å; M414-Y416 VanDerWaalsContact C-N 3.35Å; M414-Y416 PolarHBondContact O-N 2.96Å; Y416-Y418 VanDerWaalsContact C-N 3.31Å; Y416-Y418 PolarHBondContact O-N 3.39Å; Y416-Q419 PolarHBondContact O-N 2.96Å; Y416-Q419 VanDerWaalsContact O-N 3.1Å; Y416-V420 HydrophobicContact CD1-CB 4.34Å; Y416-V420 HydrophobicContact CE1-CB 4Å; Y416-V420 HydrophobicContact CE1-CG1 4.36Å; Y416-V420 HydrophobicContact CE1-CG2 3.99Å; Y416-V420 WeakPolarHBondContact O-CB 3.22Å; Y416-V420 PolarHBondContact O-N 3.31Å; Y416-L431 WeakPolarHBondContact CE1-O 3.3Å; Y416-L431 PolarHBondContact OH-N 2.73Å; Y416-L431 PolarHBondContact OH-O 2.71Å; Y416-P513 HydrophobicContact CD2-CB 3.92Å; Y416-P513 HydrophobicContact CD2-CG 4.14Å; Y416-P513 WeakPolarHBondContact CD2-O 3.48Å; Y416-P513 HydrophobicContact CE2-CB 4.08Å; Y416-P513 HydrophobicContact CE2-CG 3.77Å; Y416-P513 WeakPolarHBondContact CE2-O 3.26Å; Y416-P514 HydrophobicContact CD2-CB 4.48Å
417	G	95.7	Very high	88	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.3	-41.8	177.4	0	0	0	0	0	112.7	A413 M414 Q419 P437	A413-G417 PolarHBondContact O-N 3.21Å; M414-G417 PolarHBondContact O-N 3.39Å; G417-Q419 VanDerWaalsContact C-N 3.34Å; G417-Q419 PolarHBondContact O-N 2.98Å; G417-P437 VanDerWaalsContact O-CA 3.28Å; G417-P437 WeakPolarHBondContact O-CA 3.46Å
418	Y	94.8	Very high	86.4	Confident	60 Å²	60	44.3 Å²	44.3	24%	0.235	23%	0.226	C	C	.	.	H	α-helix	trans	-62.9	-38	175	179.5	-106.6	0	0	0	112.7	M414 L415 Y416 M440 V441 W444	M414-Y418 WeakPolarHBondContact O-CB 3.17Å; M414-Y418 PolarHBondContact O-N 3.11Å; L415-Y418 PolarHBondContact O-N 3.26Å; Y416-Y418 VanDerWaalsContact C-N 3.31Å; Y416-Y418 PolarHBondContact O-N 3.39Å; Y418-M440 HydrophobicContact CD2-CB 4.45Å; Y418-V441 HydrophobicContact CD2-CG2 4.02Å; Y418-V441 HydrophobicContact CE2-CG2 3.88Å; Y418-W444 HydrophobicContact CD1-CE3 4.02Å; Y418-W444 AromaticContact CD1-CZ3 3.71Å; Y418-W444 HydrophobicContact CD1-CZ3 3.71Å; Y418-W444 AromaticContact CD2-CE3 3.65Å; Y418-W444 HydrophobicContact CD2-CE3 3.65Å; Y418-W444 HydrophobicContact CD2-CZ3 4.09Å; Y418-W444 HydrophobicContact CE1-CE3 4.4Å; Y418-W444 HydrophobicContact CE1-CZ3 4.38Å; Y418-W444 HydrophobicContact CE2-CE3 4.06Å; Y418-W444 AromaticContact CG-CE3 3.63Å; Y418-W444 HydrophobicContact CG-CE3 3.63Å; Y418-W444 AromaticContact CG-CZ3 3.55Å; Y418-W444 HydrophobicContact CG-CZ3 3.55Å
419	Q	93.3	Very high	85.5	Confident	3 Å²	3	52.6 Å²	52.6	1%	0.014	27%	0.27	C	S	.	.	H	α-helix	trans	-91.6	-32.2	-173.3	-74.7	178.5	-26.9	0	0	115.1	L415 Y416 G417 G421 L422 F423 P513 R515	L415-Q419 HydrophobicContact CD1-CG 4.21Å; L415-Q419 WeakPolarHBondContact O-CB 3.45Å; L415-Q419 WeakPolarHBondContact O-CG 3.41Å; L415-Q419 PolarHBondContact O-N 3.1Å; Y416-Q419 PolarHBondContact O-N 2.96Å; Y416-Q419 VanDerWaalsContact O-N 3.1Å; G417-Q419 VanDerWaalsContact C-N 3.34Å; G417-Q419 PolarHBondContact O-N 2.98Å; Q419-G421 PolarHBondContact O-N 2.96Å; Q419-L422 WeakPolarHBondContact O-CA 3.48Å; Q419-L422 VanDerWaalsContact O-CB 3.27Å; Q419-L422 WeakPolarHBondContact O-CB 3.45Å; Q419-L422 PolarHBondContact O-N 3.38Å; Q419-F423 HydrophobicContact CB-CD2 4.3Å; Q419-F423 HydrophobicContact CB-CE2 4.09Å; Q419-F423 WeakPolarHBondContact O-CD2 3.45Å; Q419-P513 HydrophobicContact CB-CB 4Å; Q419-R515 PolarHBondContact NE2-O 3.45Å
420	V	90	Very high	84.9	Confident	16 Å²	16	51.2 Å²	51.2	10%	0.097	27%	0.266	C	S	.	.	H	α-helix	trans	-58.6	-26.1	-172.1	69.7	0	0	0	0	112.9	Y416 L422 F423 L430 P437	Y416-V420 HydrophobicContact CD1-CB 4.34Å; Y416-V420 HydrophobicContact CE1-CB 4Å; Y416-V420 HydrophobicContact CE1-CG1 4.36Å; Y416-V420 HydrophobicContact CE1-CG2 3.99Å; Y416-V420 WeakPolarHBondContact O-CB 3.22Å; Y416-V420 PolarHBondContact O-N 3.31Å; V420-L422 VanDerWaalsContact C-N 3.26Å; V420-L422 PolarHBondContact O-N 3.11Å; V420-F423 PolarHBondContact O-N 2.87Å; V420-L430 HydrophobicContact CG2-CB 4.08Å; V420-L430 HydrophobicContact CG2-CD1 4.07Å; V420-P437 HydrophobicContact CG1-CG 3.82Å
421	G	84.6	Confident	84.4	Confident	20 Å²	20	57.3 Å²	57.3	21%	0.206	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.2	171.9	0	0	0	0	0	115.2	Q419 K424	Q419-G421 PolarHBondContact O-N 2.96Å; G421-K424 WeakPolarHBondContact O-CD 3.34Å
422	L	83.7	Confident	84.1	Confident	92 Å²	92	63 Å²	63	48%	0.482	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-29.8	-180	-51.9	176.3	0	0	0	112.2	Q419 V420 K424 I508	Q419-L422 WeakPolarHBondContact O-CA 3.48Å; Q419-L422 VanDerWaalsContact O-CB 3.27Å; Q419-L422 WeakPolarHBondContact O-CB 3.45Å; Q419-L422 PolarHBondContact O-N 3.38Å; V420-L422 VanDerWaalsContact C-N 3.26Å; V420-L422 PolarHBondContact O-N 3.11Å; L422-K424 VanDerWaalsContact C-N 3.33Å; L422-K424 PolarHBondContact O-N 3.36Å; L422-I508 HydrophobicContact CB-CD1 4.37Å
423	F	78.9	Confident	83.9	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.339	C	S	.	.			trans	-89	13.7	-177.2	-70.6	-91.1	0	0	0	114	Q419 V420 N425 S426 L430 L503 I508 K511 P513 R515	Q419-F423 HydrophobicContact CB-CD2 4.3Å; Q419-F423 HydrophobicContact CB-CE2 4.09Å; Q419-F423 WeakPolarHBondContact O-CD2 3.45Å; V420-F423 PolarHBondContact O-N 2.87Å; F423-N425 PolarHBondContact O-N 2.9Å; F423-S426 PolarHBondContact O-N 2.72Å; F423-S426 PolarHBondContact O-OG 2.95Å; F423-L430 HydrophobicContact CB-CD1 3.55Å; F423-L503 HydrophobicContact CE2-CD1 3.55Å; F423-L503 HydrophobicContact CZ-CD1 3.55Å; F423-L503 HydrophobicContact CZ-CD2 4.15Å; F423-I508 HydrophobicContact CD1-CB 4.5Å; F423-I508 HydrophobicContact CD1-CG2 3.84Å; F423-I508 HydrophobicContact CE1-CB 4.4Å; F423-I508 HydrophobicContact CE1-CG1 4.39Å; F423-I508 HydrophobicContact CE1-CG2 4.23Å; F423-I508 HydrophobicContact CG-CG2 4.31Å; F423-K511 VanDerWaalsContact CD1-O 3.24Å; F423-K511 WeakPolarHBondContact CD1-O 3.29Å; F423-K511 HydrophobicContact CE1-CB 4.05Å; F423-K511 WeakPolarHBondContact CE1-O 3.05Å; F423-P513 HydrophobicContact CB-CG 4.18Å; F423-P513 HydrophobicContact CD2-CB 3.8Å; F423-P513 HydrophobicContact CD2-CG 3.64Å; F423-P513 HydrophobicContact CE2-CB 3.85Å; F423-P513 HydrophobicContact CE2-CG 4.17Å; F423-P513 HydrophobicContact CG-CG 3.93Å; F423-R515 HydrophobicContact CZ-CG 4.06Å
424	K	66.3	Low	83.8	Confident	141 Å²	141	63.8 Å²	63.8	61%	0.613	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-11.1	-177.6	-73.1	176.3	177.1	164.1	0	115.6	G421 L422 E438	G421-K424 WeakPolarHBondContact O-CD 3.34Å; L422-K424 VanDerWaalsContact C-N 3.33Å; L422-K424 PolarHBondContact O-N 3.36Å; K424-E438 IonicContact NZ-OE1 3.69Å
425	N	60.2	Low	83.8	Confident	134 Å²	134	63.9 Å²	63.9	72%	0.717	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	1.1	177.9	-64.3	-11.1	0	0	0	114.1	F423	F423-N425 PolarHBondContact O-N 2.9Å
426	S	60.1	Low	83.8	Confident	19 Å²	19	68.9 Å²	68.9	13%	0.133	36%	0.36	C	S	.	.	S	Bend	trans	-70.6	144.2	174.9	60.2	0	0	0	0	110.8	F423 E428	F423-S426 PolarHBondContact O-N 2.72Å; F423-S426 PolarHBondContact O-OG 2.95Å; S426-E428 PolarHBondContact O-N 2.77Å
427	N	56.9	Low	83.7	Confident	174 Å²	174	68 Å²	68	93%	0.93	36%	0.359	S	S	*	.	S	Bend	trans	-67.7	15.8	-179.6	-69.1	-35.6	0	0	0	115
428	E	65.6	Low	83.7	Confident	109 Å²	109	73.4 Å²	73.4	51%	0.509	38%	0.384	S	S	.	.	S	Bend	trans	-115.7	141.6	-176	-66.4	-170.2	-177.7	0	0	111.7	S426 L430 V512	S426-E428 PolarHBondContact O-N 2.77Å; E428-L430 VanDerWaalsContact C-N 3.29Å; E428-L430 HydrophobicContact CB-CD2 4.41Å; E428-L430 PolarHBondContact O-N 3.02Å; E428-V512 WeakPolarHBondContact OE2-CG2 3.46Å
429	N	78.8	Confident	83.9	Confident	176 Å²	176	70.9 Å²	70.9	94%	0.941	38%	0.375	S	S	*	.			trans	-74.1	80.4	173.8	-74.3	-29.8	0	0	0	110.6
430	L	86.5	Confident	84.1	Confident	45 Å²	45	70.8 Å²	70.8	24%	0.236	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-63.5	138.9	176.3	-59.9	-179.1	0	0	0	111.5	V420 F423 E428 V512 P513	V420-L430 HydrophobicContact CG2-CB 4.08Å; V420-L430 HydrophobicContact CG2-CD1 4.07Å; F423-L430 HydrophobicContact CB-CD1 3.55Å; E428-L430 VanDerWaalsContact C-N 3.29Å; E428-L430 HydrophobicContact CB-CD2 4.41Å; E428-L430 PolarHBondContact O-N 3.02Å; L430-V512 HydrophobicContact CD2-CG1 3.91Å; L430-P513 HydrophobicContact CD1-CG 4.09Å; L430-P513 HydrophobicContact CD2-CG 4.39Å
431	L	89.4	Confident	84.3	Confident	129 Å²	129	73.3 Å²	73.3	68%	0.675	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-69.2	152.1	172.7	-65.2	177.1	0	0	0	110.7	Y416	Y416-L431 WeakPolarHBondContact CE1-O 3.3Å; Y416-L431 PolarHBondContact OH-N 2.73Å; Y416-L431 PolarHBondContact OH-O 2.71Å
432	P	91.8	Very high	84.9	Confident	120 Å²	120	75.2 Å²	75.2	78%	0.779	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-63.1	140.6	169.2	27.8	-34.3	0	0	0	110.3
433	G	94.1	Very high	85.5	Confident	19 Å²	19	70.9 Å²	70.9	20%	0.196	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-63.5	152.8	170.8	0	0	0	0	0	111.9	L435	G433-L435 CarbonylContact C-O 3.59Å; G433-L435 PolarHBondContact O-N 3.17Å
434	Y	97.4	Very high	86.4	Confident	43 Å²	43	71.3 Å²	71.3	17%	0.169	37%	0.373	C	S	.	.	S	Bend	trans	-60.9	-29.6	177.8	-172.1	-109.1	0	0	0	112.5	V172 K176 I350 D353 L354	V172-Y434 HydrophobicContact CG1-CD1 3.91Å; V172-Y434 HydrophobicContact CG1-CE1 3.57Å; K176-Y434 HydrophobicContact CD-CD1 4.27Å; K176-Y434 HydrophobicContact CD-CE1 3.87Å; K176-Y434 WeakPolarHBondContact CD-O 3.36Å; K176-Y434 HydrophobicContact CG-CE1 4.1Å; K176-Y434 PolarHBondContact NZ-O 3.18Å; I350-Y434 HydrophobicContact CG2-CE1 4.43Å; D353-Y434 HydrophobicContact CB-CE2 3.6Å; D353-Y434 WeakPolarHBondContact CB-OH 3.48Å; D353-Y434 PolarHBondContact OD2-OH 3.45Å; L354-Y434 HydrophobicContact CD1-CD1 4.4Å; L354-Y434 HydrophobicContact CD1-CE1 4.19Å; L354-Y434 HydrophobicContact CD2-CD1 3.69Å; L354-Y434 HydrophobicContact CD2-CD2 4.22Å; L354-Y434 HydrophobicContact CD2-CE1 4.09Å; L354-Y434 HydrophobicContact CD2-CG 3.75Å; L354-Y434 HydrophobicContact CG-CD1 4.21Å; L354-Y434 HydrophobicContact CG-CE1 4.09Å
435	L	97.8	Very high	87.8	Confident	2 Å²	2	68 Å²	68	1%	0.01	36%	0.364	C	S	.	.	S	Bend	trans	-120.3	154.7	163.3	-67.8	173.6	0	0	0	108.7	V172 A175 K176 M414 G433 T439 M440 M443	V172-L435 HydrophobicContact CB-CD1 4.44Å; V172-L435 HydrophobicContact CG1-CD1 4.2Å; V172-L435 HydrophobicContact CG1-CG 4.48Å; V172-L435 HydrophobicContact CG2-CD1 3.97Å; A175-L435 HydrophobicContact CB-CD1 3.88Å; A175-L435 HydrophobicContact CB-CD2 3.66Å; A175-L435 HydrophobicContact CB-CG 4.45Å; K176-L435 HydrophobicContact CD-CD2 3.45Å; K176-L435 VanDerWaalsContact CD-CD2 3.45Å; K176-L435 HydrophobicContact CD-CG 4.42Å; K176-L435 HydrophobicContact CG-CD2 4Å; M414-L435 HydrophobicContact CE-CD1 4.24Å; M414-L435 HydrophobicContact SD-CD1 4.32Å; G433-L435 CarbonylContact C-O 3.59Å; G433-L435 PolarHBondContact O-N 3.17Å; L435-T439 HydrophobicContact CB-CG2 4.38Å; L435-T439 HydrophobicContact CD1-CG2 4.43Å; L435-T439 HydrophobicContact CD2-CG2 4.38Å; L435-M440 HydrophobicContact CB-CG 4.07Å; L435-M440 HydrophobicContact CB-SD 4.1Å; L435-M440 HydrophobicContact CD1-SD 3.72Å; L435-M443 HydrophobicContact CD1-CE 4.13Å; L435-M443 HydrophobicContact CD1-SD 3.69Å
436	K	96.8	Very high	89.5	Confident	106 Å²	106	62.5 Å²	62.5	46%	0.461	34%	0.336	S	S	.	.			trans	-64.9	148.4	176.4	-60.8	170.4	-167.4	172	0	110.4	E179 E438 T439 M440	E179-K436 HydrophobicContact CG-CD 4.17Å; E179-K436 WeakPolarHBondContact OE1-CB 3.43Å; E179-K436 WeakPolarHBondContact OE1-CG 3.25Å; E179-K436 PolarHBondContact OE1-N 2.73Å; K436-E438 VanDerWaalsContact C-N 3.26Å; K436-E438 PolarHBondContact O-N 3.31Å; K436-T439 WeakPolarHBondContact O-CB 3.29Å; K436-T439 PolarHBondContact O-N 3.26Å; K436-T439 VanDerWaalsContact O-N 3.1Å; K436-M440 PolarHBondContact O-N 3.14Å
437	P	95.3	Very high	91.2	Very high	21 Å²	21	63 Å²	63	14%	0.136	34%	0.339	C	S	.	.	H	α-helix	trans	-55.2	-40.8	177.8	-26.5	35.3	0	0	0	113.5	G417 V420 T439 M440 V441	G417-P437 VanDerWaalsContact O-CA 3.28Å; G417-P437 WeakPolarHBondContact O-CA 3.46Å; V420-P437 HydrophobicContact CG1-CG 3.82Å; P437-T439 VanDerWaalsContact C-N 3.31Å; P437-T439 PolarHBondContact O-N 3.47Å; P437-M440 PolarHBondContact O-N 2.89Å; P437-V441 WeakPolarHBondContact O-CG2 3.31Å; P437-V441 PolarHBondContact O-N 2.84Å
438	E	95.9	Very high	93	Very high	113 Å²	113	58.9 Å²	58.9	53%	0.528	32%	0.321	S	S	.	.	H	α-helix	trans	-66.4	-35.2	-178.7	-57.2	74.1	-160.1	0	0	111.4	K424 K436 M442	K424-E438 IonicContact NZ-OE1 3.69Å; K436-E438 VanDerWaalsContact C-N 3.26Å; K436-E438 PolarHBondContact O-N 3.31Å; E438-M442 PolarHBondContact O-N 3.03Å
439	T	97.8	Very high	94	Very high	7 Å²	7	59.2 Å²	59.2	4%	0.043	33%	0.326	C	S	.	.	H	α-helix	trans	-65.2	-45.4	171.6	-56.1	0	0	0	0	111.2	A175 W178 E179 L435 K436 P437 M442 M443	A175-T439 HydrophobicContact CB-CG2 3.88Å; W178-T439 HydrophobicContact CE3-CG2 4.22Å; W178-T439 HydrophobicContact CZ3-CG2 4Å; E179-T439 HydrophobicContact CG-CG2 4.44Å; E179-T439 WeakPolarHBondContact OE1-CB 3.43Å; E179-T439 WeakPolarHBondContact OE1-CG2 3.36Å; E179-T439 PolarHBondContact OE1-OG1 2.87Å; L435-T439 HydrophobicContact CB-CG2 4.38Å; L435-T439 HydrophobicContact CD1-CG2 4.43Å; L435-T439 HydrophobicContact CD2-CG2 4.38Å; K436-T439 WeakPolarHBondContact O-CB 3.29Å; K436-T439 PolarHBondContact O-N 3.26Å; K436-T439 VanDerWaalsContact O-N 3.1Å; P437-T439 VanDerWaalsContact C-N 3.31Å; P437-T439 PolarHBondContact O-N 3.47Å; T439-M442 PolarHBondContact O-N 2.83Å; T439-M443 HydrophobicContact CG2-SD 4.09Å; T439-M443 WeakPolarHBondContact O-CB 3.38Å; T439-M443 WeakPolarHBondContact O-CG 3.4Å; T439-M443 PolarHBondContact O-N 3.14Å
440	M	97.4	Very high	94.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65.5	-41.2	178.3	-75.8	-54.8	-48	0	0	112.5	M414 Y418 L435 K436 P437 M442 M443 W444	M414-M440 HydrophobicContact CB-CE 3.79Å; M414-M440 HydrophobicContact CE-SD 4.41Å; M414-M440 HydrophobicContact CG-CE 4.33Å; M414-M440 HydrophobicContact SD-CE 3.89Å; M414-M440 HydrophobicContact SD-SD 3.68Å; M414-M440 VanDerWaalsContact SD-SD 3.68Å; Y418-M440 HydrophobicContact CD2-CB 4.45Å; L435-M440 HydrophobicContact CB-CG 4.07Å; L435-M440 HydrophobicContact CB-SD 4.1Å; L435-M440 HydrophobicContact CD1-SD 3.72Å; K436-M440 PolarHBondContact O-N 3.14Å; P437-M440 PolarHBondContact O-N 2.89Å; M440-M442 VanDerWaalsContact C-N 3.34Å; M440-M442 PolarHBondContact O-N 3.1Å; M440-M443 HydrophobicContact CE-CE 4.41Å; M440-M443 PolarHBondContact O-N 3.5Å; M440-M443 HydrophobicContact SD-CE 4.13Å; M440-M443 HydrophobicContact SD-SD 4.22Å; M440-W444 HydrophobicContact CE-CD2 4.17Å; M440-W444 HydrophobicContact CE-CH2 4.47Å; M440-W444 HydrophobicContact CE-CZ2 3.92Å; M440-W444 PolarHBondContact O-N 2.9Å
441	V	95.7	Very high	95	Very high	69 Å²	69	52.7 Å²	52.7	42%	0.418	29%	0.29	S	S	.	.	H	α-helix	trans	-60	-44.8	173	173	0	0	0	0	110.4	Y418 P437 M443 W444 T445	Y418-V441 HydrophobicContact CD2-CG2 4.02Å; Y418-V441 HydrophobicContact CE2-CG2 3.88Å; P437-V441 WeakPolarHBondContact O-CG2 3.31Å; P437-V441 PolarHBondContact O-N 2.84Å; V441-M443 VanDerWaalsContact C-N 3.35Å; V441-M443 PolarHBondContact O-N 3.42Å; V441-W444 CarbonylContact O-C 3.44Å; V441-W444 PolarHBondContact O-N 2.91Å; V441-T445 WeakPolarHBondContact O-CB 3.46Å; V441-T445 PolarHBondContact O-N 2.86Å; V441-T445 PolarHBondContact O-OG1 2.99Å
442	M	96.4	Very high	95	Very high	61 Å²	61	47.3 Å²	47.3	30%	0.3	26%	0.262	S	S	.	.	H	α-helix	trans	-61.2	-43.3	174.6	-175.1	179.5	-61.7	0	0	111.8	W178 R211 E438 T439 M440 W444 T445 M462	W178-M442 HydrophobicContact CH2-CE 3.47Å; W178-M442 VanDerWaalsContact CH2-CE 3.47Å; W178-M442 HydrophobicContact CH2-SD 3.57Å; W178-M442 VanDerWaalsContact CH2-SD 3.57Å; W178-M442 HydrophobicContact CZ2-CE 4.09Å; W178-M442 HydrophobicContact CZ2-SD 4.28Å; W178-M442 HydrophobicContact CZ3-CE 4.35Å; W178-M442 HydrophobicContact CZ3-SD 3.95Å; R211-M442 PolarHBondContact NH1-SD 3.21Å; R211-M442 VanDerWaalsContact NH1-SD 3.41Å; E438-M442 PolarHBondContact O-N 3.03Å; T439-M442 PolarHBondContact O-N 2.83Å; M440-M442 VanDerWaalsContact C-N 3.34Å; M440-M442 PolarHBondContact O-N 3.1Å; M442-W444 VanDerWaalsContact C-N 3.3Å; M442-W444 PolarHBondContact O-N 2.67Å; M442-T445 PolarHBondContact O-N 3.32Å; M442-M462 HydrophobicContact CG-CE 3.82Å; M442-M462 HydrophobicContact CG-SD 4.19Å; M442-M462 HydrophobicContact SD-CE 3.76Å; M442-M462 HydrophobicContact SD-SD 4.44Å
443	M	97.2	Very high	94.8	Very high	1 Å²	1	47 Å²	47	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-34.1	-178.3	-80.1	174.2	49.1	0	0	113.4	M171 V172 A175 M414 L435 T439 M440 V441 A461 M462	M171-M443 HydrophobicContact CE-CG 3.94Å; M171-M443 HydrophobicContact CE-SD 4.17Å; M171-M443 HydrophobicContact CG-CE 3.8Å; M171-M443 HydrophobicContact CG-CG 4.27Å; M171-M443 HydrophobicContact CG-SD 4.16Å; V172-M443 HydrophobicContact CG2-CE 4.3Å; A175-M443 HydrophobicContact CB-SD 3.87Å; M414-M443 HydrophobicContact SD-CE 4.34Å; L435-M443 HydrophobicContact CD1-CE 4.13Å; L435-M443 HydrophobicContact CD1-SD 3.69Å; T439-M443 HydrophobicContact CG2-SD 4.09Å; T439-M443 WeakPolarHBondContact O-CB 3.38Å; T439-M443 WeakPolarHBondContact O-CG 3.4Å; T439-M443 PolarHBondContact O-N 3.14Å; M440-M443 HydrophobicContact CE-CE 4.41Å; M440-M443 PolarHBondContact O-N 3.5Å; M440-M443 HydrophobicContact SD-CE 4.13Å; M440-M443 HydrophobicContact SD-SD 4.22Å; V441-M443 VanDerWaalsContact C-N 3.35Å; V441-M443 PolarHBondContact O-N 3.42Å; M443-A461 WeakPolarHBondContact O-CB 3.4Å; M443-M462 HydrophobicContact CB-CB 4.43Å; M443-M462 HydrophobicContact CG-CB 4.3Å; M443-M462 HydrophobicContact CG-SD 4.38Å; M443-M462 PolarHBondContact O-N 3.28Å; M443-M462 VanDerWaalsContact O-N 3.08Å
444	W	97	Very high	94.5	Very high	8 Å²	8	48.7 Å²	48.7	3%	0.03	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	7.9	177.1	-69.5	-5.3	0	0	0	113.9	M414 Y418 M440 V441 M442 P446 W464 V466 A483 V498 P500	M414-W444 HydrophobicContact CB-CH2 4.37Å; M414-W444 HydrophobicContact CB-CZ2 3.84Å; Y418-W444 HydrophobicContact CD1-CE3 4.02Å; Y418-W444 AromaticContact CD1-CZ3 3.71Å; Y418-W444 HydrophobicContact CD1-CZ3 3.71Å; Y418-W444 AromaticContact CD2-CE3 3.65Å; Y418-W444 HydrophobicContact CD2-CE3 3.65Å; Y418-W444 HydrophobicContact CD2-CZ3 4.09Å; Y418-W444 HydrophobicContact CE1-CE3 4.4Å; Y418-W444 HydrophobicContact CE1-CZ3 4.38Å; Y418-W444 HydrophobicContact CE2-CE3 4.06Å; Y418-W444 AromaticContact CG-CE3 3.63Å; Y418-W444 HydrophobicContact CG-CE3 3.63Å; Y418-W444 AromaticContact CG-CZ3 3.55Å; Y418-W444 HydrophobicContact CG-CZ3 3.55Å; M440-W444 HydrophobicContact CE-CD2 4.17Å; M440-W444 HydrophobicContact CE-CH2 4.47Å; M440-W444 HydrophobicContact CE-CZ2 3.92Å; M440-W444 PolarHBondContact O-N 2.9Å; V441-W444 CarbonylContact O-C 3.44Å; V441-W444 PolarHBondContact O-N 2.91Å; M442-W444 VanDerWaalsContact C-N 3.3Å; M442-W444 PolarHBondContact O-N 2.67Å; W444-P446 WeakPolarHBondContact O-CD 3.35Å; W444-W464 AromaticContact CD1-CD1 3.6Å; W444-W464 AromaticContact CD1-CG 3.7Å; W444-W464 AromaticContact NE1-CD1 3.54Å; W444-W464 AromaticContact NE1-CD2 3.53Å; W444-W464 AromaticContact NE1-CE2 3.52Å; W444-W464 AromaticContact NE1-CG 3.6Å; W444-W464 AromaticContact NE1-NE1 3.52Å; W444-V466 HydrophobicContact CB-CG2 4.22Å; W444-V466 WeakPolarHBondContact O-CG1 3.35Å; W444-A483 HydrophobicContact CD2-CB 3.91Å; W444-A483 HydrophobicContact CE3-CB 4.39Å; W444-A483 HydrophobicContact CG-CB 4.21Å; W444-A483 HydrophobicContact CZ2-CB 4.15Å; W444-V498 HydrophobicContact CH2-CB 4.34Å; W444-V498 HydrophobicContact CH2-CG1 3.85Å; W444-V498 HydrophobicContact CZ2-CG1 4.48Å; W444-V498 HydrophobicContact CZ2-CG2 4.5Å; W444-P500 HydrophobicContact CZ3-CG 4.42Å
445	T	96.2	Very high	94.1	Very high	71 Å²	71	48.2 Å²	48.2	44%	0.436	26%	0.263	S	S	.	.	S	Bend	trans	-80.4	122	170.6	-65.4	0	0	0	0	109.6	V441 M442 V447 A461	V441-T445 WeakPolarHBondContact O-CB 3.46Å; V441-T445 PolarHBondContact O-N 2.86Å; V441-T445 PolarHBondContact O-OG1 2.99Å; M442-T445 PolarHBondContact O-N 3.32Å; T445-V447 PolarHBondContact O-N 3.1Å; T445-A461 VanDerWaalsContact O-CB 3.25Å; T445-A461 WeakPolarHBondContact O-CB 3.48Å
446	P	96.3	Very high	93.5	Very high	19 Å²	19	56.2 Å²	56.2	12%	0.123	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-53.6	129.5	174	-33.2	40.9	0	0	0	113.9	W444 K459 V466 E468	W444-P446 WeakPolarHBondContact O-CD 3.35Å; P446-K459 HydrophobicContact CB-CB 3.81Å; P446-K459 HydrophobicContact CB-CD 4Å; P446-V466 HydrophobicContact CG-CB 4.22Å; P446-V466 HydrophobicContact CG-CG1 4.13Å; P446-E468 HydrophobicContact CG-CG 3.68Å
447	V	96	Very high	93.1	Very high	30 Å²	30	55 Å²	55	18%	0.182	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-84.2	132.8	175.2	-179.9	0	0	0	0	109	L217 T445 T450 Y460	L217-V447 HydrophobicContact CD1-CG1 3.64Å; T445-V447 PolarHBondContact O-N 3.1Å; V447-T450 HydrophobicContact CB-CG2 3.84Å; V447-T450 HydrophobicContact CG1-CG2 4.05Å; V447-T450 WeakPolarHBondContact O-CG2 3.39Å; V447-T450 PolarHBondContact O-OG1 2.91Å; V447-Y460 WeakPolarHBondContact CB-O 3.31Å; V447-Y460 PolarHBondContact N-O 3.4Å
448	P	92.8	Very high	92.9	Very high	87 Å²	87	54.3 Å²	54.3	57%	0.565	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	154.8	174.6	-26.9	35.6	0	0	0	113.1	T450	P448-T450 PolarHBondContact O-N 2.88Å; P448-T450 VanDerWaalsContact O-N 3.16Å
449	N	87.5	Confident	92.8	Very high	116 Å²	116	53.2 Å²	53.2	62%	0.62	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	17.6	179	-50.9	-27.3	0	0	0	115.4	F321	F321-N449 WeakPolarHBondContact CB-O 3.41Å
450	T	94.1	Very high	92.8	Very high	15 Å²	15	53 Å²	53	9%	0.092	28%	0.282	C	S	.	.			trans	-100.5	159.7	172.4	69.4	0	0	0	0	112.8	L217 F321 V447 P448 Y460	L217-T450 HydrophobicContact CD1-CG2 4.48Å; L217-T450 HydrophobicContact CD2-CG2 4.35Å; L217-T450 HydrophobicContact CG-CG2 4.46Å; F321-T450 HydrophobicContact CD2-CG2 3.77Å; F321-T450 HydrophobicContact CE2-CG2 4.33Å; V447-T450 HydrophobicContact CB-CG2 3.84Å; V447-T450 HydrophobicContact CG1-CG2 4.05Å; V447-T450 WeakPolarHBondContact O-CG2 3.39Å; V447-T450 PolarHBondContact O-OG1 2.91Å; P448-T450 PolarHBondContact O-N 2.88Å; P448-T450 VanDerWaalsContact O-N 3.16Å; T450-Y460 PolarHBondContact OG1-N 3.07Å; T450-Y460 PolarHBondContact OG1-O 3.39Å
451	E	91.4	Very high	92.8	Very high	70 Å²	70	53 Å²	53	33%	0.327	28%	0.282	S	S	.	.			trans	-132.8	154.2	176.5	56	171.6	-151	0	0	110.9	F321	F321-E451 HydrophobicContact CD1-CG 3.37Å; F321-E451 HydrophobicContact CE1-CG 3.67Å; F321-E451 WeakPolarHBondContact CE1-O 3.4Å; F321-E451 HydrophobicContact CG-CG 4.19Å; F321-E451 VanDerWaalsContact CZ-O 3.32Å; F321-E451 WeakPolarHBondContact CZ-O 3.2Å
452	M	90	Very high	92.8	Very high	16 Å²	16	50 Å²	50	8%	0.079	26%	0.264	C	S	.	.			trans	-108.6	135.8	168	-79.4	170.1	61.4	0	0	109.8	W454 D455 G458 K459 G465 V466 V467	M452-W454 HydrophobicContact CE-CD2 4.39Å; M452-W454 HydrophobicContact CE-CG 4.48Å; M452-W454 HydrophobicContact CE-CZ2 4.06Å; M452-D455 WeakPolarHBondContact CB-O 3.46Å; M452-D455 HydrophobicContact CE-CB 3.89Å; M452-G458 VanDerWaalsContact SD-CA 3.56Å; M452-K459 PolarHBondContact SD-N 2.64Å; M452-G465 VanDerWaalsContact SD-C 3.51Å; M452-G465 WeakPolarHBondContact SD-CA 3.37Å; M452-V466 PolarHBondContact SD-N 3.49Å; M452-V467 HydrophobicContact CE-CG2 4.35Å
453	S	86.8	Confident	92.9	Very high	112 Å²	112	47 Å²	47	78%	0.783	25%	0.25	S	C	*	.	S	Bend	trans	-82.9	-14	179.5	56.9	0	0	0	0	113.8
454	W	88.9	Confident	92.9	Very high	56 Å²	56	47 Å²	47	21%	0.212	25%	0.249	C	C	.	.	S	Bend	trans	-113	-7.1	-176.4	61.9	86.2	0	0	0	115.1	M452 Y460 S484 T486 N531	M452-W454 HydrophobicContact CE-CD2 4.39Å; M452-W454 HydrophobicContact CE-CG 4.48Å; M452-W454 HydrophobicContact CE-CZ2 4.06Å; W454-Y460 HydrophobicContact CH2-CE2 4.26Å; W454-S484 PolarHBondContact NE1-OG 2.97Å; W454-T486 HydrophobicContact CB-CG2 4.34Å; W454-T486 HydrophobicContact CD2-CG2 3.68Å; W454-T486 HydrophobicContact CE3-CG2 4.16Å; W454-T486 HydrophobicContact CG-CG2 3.78Å; W454-T486 HydrophobicContact CZ2-CG2 4.44Å; W454-T486 VanDerWaalsContact CZ3-OG1 3.3Å; W454-T486 WeakPolarHBondContact CZ3-OG1 3.06Å; W454-N531 HydrophobicContact CB-CB 4.31Å; W454-N531 HydrophobicContact CG-CB 4.22Å
455	D	88.2	Confident	93	Very high	32 Å²	32	46.6 Å²	46.6	17%	0.171	25%	0.248	C	C	.	.			trans	-145	128.1	170	-162.5	-44	0	0	0	108.8	M452 E457 V467 Y482	M452-D455 WeakPolarHBondContact CB-O 3.46Å; M452-D455 HydrophobicContact CE-CB 3.89Å; D455-E457 VanDerWaalsContact C-N 3.32Å; D455-E457 PolarHBondContact OD1-N 3.04Å; D455-V467 HydrophobicContact CB-CG2 4.28Å; D455-Y482 PolarHBondContact OD2-OH 3.32Å
456	K	86.8	Confident	93	Very high	170 Å²	170	43.3 Å²	43.3	74%	0.739	23%	0.228	S	C	*	.	S	Bend	trans	-77.3	-19.2	-179.9	-70.6	-170.3	178	-174.1	0	112.9	E244	E244-K456 IonicContact OE2-NZ 3.55Å; E244-K456 PolarHBondContact OE2-NZ 2.86Å
457	E	86.7	Confident	92.9	Very high	80 Å²	80	42.6 Å²	42.6	37%	0.374	22%	0.223	S	C	.	.	S	Bend	trans	-98.6	-8.8	-175.9	-58.7	170.8	-171.7	0	0	111.8	D455 R477 Q479	D455-E457 VanDerWaalsContact C-N 3.32Å; D455-E457 PolarHBondContact OD1-N 3.04Å; E457-R477 VanDerWaalsContact CD-NH2 3.32Å; E457-R477 IonicContact OE1-CZ 3.52Å; E457-R477 IonicContact OE1-NH1 3.78Å; E457-R477 PolarHBondContact OE1-NH1 3.46Å; E457-R477 IonicContact OE1-NH2 3.22Å; E457-R477 PolarHBondContact OE1-NH2 3.16Å; E457-R477 IonicContact OE2-CZ 3.73Å; E457-R477 IonicContact OE2-NH1 3.96Å; E457-R477 IonicContact OE2-NH2 3.07Å; E457-R477 PolarHBondContact OE2-NH2 3.32Å; E457-R477 VanDerWaalsContact OE2-NH2 3.16Å; E457-Q479 VanDerWaalsContact CB-NE2 3.26Å
458	G	91.1	Very high	92.7	Very high	7 Å²	7	46.1 Å²	46.1	7%	0.072	24%	0.237	C	C	.	.			trans	-94.6	167.3	174.6	0	0	0	0	0	114.5	M452 V466	M452-G458 VanDerWaalsContact SD-CA 3.56Å; G458-V466 VanDerWaalsContact CA-O 3.28Å; G458-V466 WeakPolarHBondContact CA-O 3.39Å
459	K	95.2	Very high	92.3	Very high	91 Å²	91	47.7 Å²	47.7	40%	0.396	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	157.7	178.7	-78	177.4	-174.7	167.3	0	110.6	P446 M452 V466	P446-K459 HydrophobicContact CB-CB 3.81Å; P446-K459 HydrophobicContact CB-CD 4Å; M452-K459 PolarHBondContact SD-N 2.64Å; K459-V466 PolarHBondContact N-O 3.38Å; K459-V466 PolarHBondContact O-N 2.94Å
460	Y	96.4	Very high	91.8	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	127.6	175.8	-149.5	-100.2	0	0	0	110.3	H216 F321 V447 T450 W454 A463 H485	H216-Y460 AromaticContact CD2-CD1 3.66Å; H216-Y460 AromaticContact CD2-CE1 3.2Å; H216-Y460 WeakPolarHBondContact CD2-CE1 3.31Å; H216-Y460 AromaticContact CD2-CZ 3.63Å; H216-Y460 AromaticContact NE2-CE1 3.4Å; H216-Y460 WeakPolarHBondContact NE2-CE1 3.49Å; H216-Y460 AromaticContact NE2-CZ 3.46Å; H216-Y460 PolarHBondContact NE2-OH 3.21Å; F321-Y460 HydrophobicContact CE2-CD1 4.07Å; F321-Y460 HydrophobicContact CE2-CD2 4.47Å; F321-Y460 AromaticContact CE2-CG 3.81Å; F321-Y460 HydrophobicContact CE2-CG 3.81Å; F321-Y460 HydrophobicContact CZ-CD2 4.4Å; F321-Y460 HydrophobicContact CZ-CG 4.18Å; V447-Y460 WeakPolarHBondContact CB-O 3.31Å; V447-Y460 PolarHBondContact N-O 3.4Å; T450-Y460 PolarHBondContact OG1-N 3.07Å; T450-Y460 PolarHBondContact OG1-O 3.39Å; W454-Y460 HydrophobicContact CH2-CE2 4.26Å; Y460-A463 WeakPolarHBondContact OH-CA 3.4Å; Y460-H485 AromaticContact CE2-NE2 3.18Å; Y460-H485 WeakPolarHBondContact CE2-NE2 3.33Å; Y460-H485 AromaticContact CZ-NE2 3.04Å; Y460-H485 PolarHBondContact OH-CD2 2.94Å; Y460-H485 PolarHBondContact OH-NE2 2.97Å
461	A	97.2	Very high	90.4	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.258	C	S	.	.			trans	-96.9	-147	171.7	0	0	0	0	0	109.2	M443 T445 A463 W464 V466	M443-A461 WeakPolarHBondContact O-CB 3.4Å; T445-A461 VanDerWaalsContact O-CB 3.25Å; T445-A461 WeakPolarHBondContact O-CB 3.48Å; A461-A463 PolarHBondContact O-N 3.1Å; A461-W464 HydrophobicContact CB-CB 4.5Å; A461-W464 PolarHBondContact N-O 3.37Å; A461-V466 HydrophobicContact CB-CB 4.37Å; A461-V466 HydrophobicContact CB-CG2 3.72Å
462	M	97.3	Very high	88.8	Confident	6 Å²	6	54 Å²	54	3%	0.03	26%	0.263	C	S	.	.	S	Bend	trans	-84.8	98.3	174.6	-65.3	-168.5	171.3	0	0	111.3	M171 L185 R211 I214 M442 M443 W464	M171-M462 HydrophobicContact CE-CB 4.32Å; M171-M462 HydrophobicContact CE-SD 3.86Å; M171-M462 HydrophobicContact CG-CB 4.31Å; M171-M462 HydrophobicContact SD-CB 3.99Å; L185-M462 HydrophobicContact CD1-CE 4.39Å; R211-M462 HydrophobicContact CG-CE 4.13Å; I214-M462 HydrophobicContact CG2-CB 3.55Å; I214-M462 HydrophobicContact CG2-CG 3.91Å; M442-M462 HydrophobicContact CG-CE 3.82Å; M442-M462 HydrophobicContact CG-SD 4.19Å; M442-M462 HydrophobicContact SD-CE 3.76Å; M442-M462 HydrophobicContact SD-SD 4.44Å; M443-M462 HydrophobicContact CB-CB 4.43Å; M443-M462 HydrophobicContact CG-CB 4.3Å; M443-M462 HydrophobicContact CG-SD 4.38Å; M443-M462 PolarHBondContact O-N 3.28Å; M443-M462 VanDerWaalsContact O-N 3.08Å; M462-W464 PolarHBondContact O-N 3.28Å; M462-W464 VanDerWaalsContact O-N 3.15Å
463	A	97.6	Very high	87.1	Confident	0 Å²	0	64 Å²	64	0%	0	30%	0.301	C	S	.	.	S	Bend	trans	59.3	19.2	-177.2	0	0	0	0	0	115.6	K167 S168 M171 Y328 Y460 A461 H485	K167-A463 HydrophobicContact CB-CB 4.39Å; S168-A463 PolarHBondContact OG-O 3.04Å; M171-A463 HydrophobicContact CB-CB 3.48Å; M171-A463 VanDerWaalsContact CB-CB 3.48Å; M171-A463 HydrophobicContact CG-CB 3.93Å; Y328-A463 HydrophobicContact CE1-CB 4.36Å; Y328-A463 WeakPolarHBondContact OH-CA 3.36Å; Y328-A463 WeakPolarHBondContact OH-CB 3.05Å; Y460-A463 WeakPolarHBondContact OH-CA 3.4Å; A461-A463 PolarHBondContact O-N 3.1Å; A463-H485 PolarHBondContact O-CD2 3.39Å
464	W	98.1	Very high	85.8	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.307	C	S	.	.	S	Bend	trans	-134.3	145.3	176.1	-70.7	95.4	0	0	0	109.3	F410 M414 W444 A461 M462 V466 A483 L496 V498	F410-W464 AromaticContact CE1-CH2 3.86Å; F410-W464 HydrophobicContact CE1-CH2 3.86Å; F410-W464 AromaticContact CE1-CZ2 3.7Å; F410-W464 HydrophobicContact CE1-CZ2 3.7Å; F410-W464 HydrophobicContact CZ-CH2 4.46Å; F410-W464 AromaticContact CZ-CZ2 3.85Å; F410-W464 HydrophobicContact CZ-CZ2 3.85Å; M414-W464 HydrophobicContact CG-CZ2 4.11Å; W444-W464 AromaticContact CD1-CD1 3.6Å; W444-W464 AromaticContact CD1-CG 3.7Å; W444-W464 AromaticContact NE1-CD1 3.54Å; W444-W464 AromaticContact NE1-CD2 3.53Å; W444-W464 AromaticContact NE1-CE2 3.52Å; W444-W464 AromaticContact NE1-CG 3.6Å; W444-W464 AromaticContact NE1-NE1 3.52Å; A461-W464 HydrophobicContact CB-CB 4.5Å; A461-W464 PolarHBondContact N-O 3.37Å; M462-W464 PolarHBondContact O-N 3.28Å; M462-W464 VanDerWaalsContact O-N 3.15Å; W464-V466 HydrophobicContact CB-CG2 4.19Å; W464-A483 HydrophobicContact CE3-CB 4.2Å; W464-L496 HydrophobicContact CH2-CD2 3.87Å; W464-L496 HydrophobicContact CH2-CG 4.47Å; W464-L496 HydrophobicContact CZ3-CD2 4.35Å; W464-V498 HydrophobicContact CZ3-CG2 4.46Å
465	G	97.7	Very high	84.1	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	127.9	159.3	0	0	0	0	0	108.9	M452 A483 S484	M452-G465 VanDerWaalsContact SD-C 3.51Å; M452-G465 WeakPolarHBondContact SD-CA 3.37Å; G465-A483 CarbonylContact O-C 3.57Å; G465-A483 WeakPolarHBondContact O-CA 3.45Å; G465-S484 WeakPolarHBondContact CA-O 3.36Å; G465-S484 PolarHBondContact N-O 2.9Å; G465-S484 PolarHBondContact O-N 3.49Å; G465-S484 VanDerWaalsContact O-O 3.14Å
466	V	97.3	Very high	82.5	Confident	2 Å²	2	69.2 Å²	69.2	1%	0.012	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	132.7	-177.6	177.8	0	0	0	0	110.5	W444 P446 M452 G458 K459 A461 W464 A483	W444-V466 HydrophobicContact CB-CG2 4.22Å; W444-V466 WeakPolarHBondContact O-CG1 3.35Å; P446-V466 HydrophobicContact CG-CB 4.22Å; P446-V466 HydrophobicContact CG-CG1 4.13Å; M452-V466 PolarHBondContact SD-N 3.49Å; G458-V466 VanDerWaalsContact CA-O 3.28Å; G458-V466 WeakPolarHBondContact CA-O 3.39Å; K459-V466 PolarHBondContact N-O 3.38Å; K459-V466 PolarHBondContact O-N 2.94Å; A461-V466 HydrophobicContact CB-CB 4.37Å; A461-V466 HydrophobicContact CB-CG2 3.72Å; W464-V466 HydrophobicContact CB-CG2 4.19Å; V466-A483 HydrophobicContact CG2-CB 4.16Å
467	V	94.3	Very high	81.1	Confident	3 Å²	3	68.9 Å²	68.9	2%	0.018	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.5	170	174.5	0	0	0	0	106.8	M452 D455 Q479 H481 Y482	M452-V467 HydrophobicContact CE-CG2 4.35Å; D455-V467 HydrophobicContact CB-CG2 4.28Å; V467-Q479 HydrophobicContact CG1-CG 3.93Å; V467-H481 VanDerWaalsContact O-CA 3.28Å; V467-H481 WeakPolarHBondContact O-CA 3.42Å; V467-H481 PolarHBondContact O-ND1 3.41Å; V467-Y482 HydrophobicContact CB-CD1 3.66Å; V467-Y482 HydrophobicContact CB-CE1 3.53Å; V467-Y482 HydrophobicContact CB-CG 4.28Å; V467-Y482 HydrophobicContact CG1-CD1 3.98Å; V467-Y482 HydrophobicContact CG1-CE1 3.79Å; V467-Y482 HydrophobicContact CG2-CD1 4Å; V467-Y482 HydrophobicContact CG2-CE1 3.36Å; V467-Y482 HydrophobicContact CG2-CE2 4.11Å; V467-Y482 VanDerWaalsContact CG2-CZ 3.42Å; V467-Y482 PolarHBondContact N-O 3.48Å; V467-Y482 PolarHBondContact O-N 3.23Å
468	E	90.6	Very high	80.2	Confident	105 Å²	105	70.8 Å²	70.8	49%	0.491	36%	0.362	S	S	.	.			trans	-84.6	153.7	177.8	-66.8	-179	102.6	0	0	111.3	P446 K470	P446-E468 HydrophobicContact CG-CG 3.68Å; E468-K470 PolarHBondContact O-N 2.91Å
469	K	84.6	Confident	79.7	Confident	119 Å²	119	71.6 Å²	71.6	52%	0.517	36%	0.364	S	S	.	.			trans	-66.1	124	171.5	178.1	169.6	173.4	170.4	0	109.3	Q479 H481 E502	K469-Q479 WeakPolarHBondContact CA-O 3.27Å; K469-H481 HydrophobicContact CB-CB 4.21Å; K469-E502 WeakPolarHBondContact CE-OE2 3.46Å; K469-E502 IonicContact NZ-OE2 3.94Å; K469-E502 PolarHBondContact NZ-OE2 3.37Å
470	K	78.5	Confident	79.4	Confident	119 Å²	119	69.5 Å²	69.5	52%	0.517	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-134.2	136.4	177.8	-165.4	178.6	177.9	179.4	0	110.6	E468 Q479	E468-K470 PolarHBondContact O-N 2.91Å; K470-Q479 HydrophobicContact CB-CB 3.96Å; K470-Q479 HydrophobicContact CB-CG 4.44Å; K470-Q479 PolarHBondContact N-O 2.97Å; K470-Q479 VanDerWaalsContact N-O 3.17Å; K470-Q479 WeakPolarHBondContact O-CB 2.74Å; K470-Q479 PolarHBondContact O-N 3.17Å; K470-Q479 VanDerWaalsContact O-N 3.08Å
471	Q	63.9	Low	79.2	Confident	146 Å²	146	71.2 Å²	71.2	68%	0.682	36%	0.362	S	S	*	.			trans	-131.5	101	171.8	-176	172.3	-8.5	0	0	108
472	T	58.8	Low	79.2	Confident	70 Å²	70	71.5 Å²	71.5	43%	0.429	36%	0.363	S	S	.	.			trans	-80.6	123.4	169.6	36.2	0	0	0	0	109.5
473	Y	54.3	Low	79.2	Confident	225 Å²	225	71.2 Å²	71.2	88%	0.882	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	143.7	-179	-63.7	-82.5	0	0	0	112.8	S475	Y473-S475 PolarHBondContact O-N 2.96Å
474	G	57.5	Low	79.2	Confident	88 Å²	88	71.2 Å²	71.2	91%	0.907	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	-11.2	174	0	0	0	0	0	116.7
475	S	54.2	Low	79.2	Confident	77 Å²	77	71.3 Å²	71.3	54%	0.538	36%	0.362	S	S	.	.	S	Bend	trans	-116.4	126.6	178.5	-63.9	0	0	0	0	111.3	Y473 R477	Y473-S475 PolarHBondContact O-N 2.96Å; S475-R477 PolarHBondContact O-N 3.2Å
476	C	53.7	Low	79.2	Confident	144 Å²	144	72.6 Å²	72.6	97%	0.973	37%	0.37	S	S	*	.			trans	-67	12.8	-173.8	-55.2	0	0	0	0	116.1	K478	C476-K478 PolarHBondContact O-N 2.73Å
477	R	57.3	Low	79.1	Confident	164 Å²	164	72.9 Å²	72.9	62%	0.619	37%	0.373	S	S	*	.			trans	-88.6	85.6	-177.8	-166	167.9	176.5	-128.7	-16.4	110.5	E457 S475 Q479	E457-R477 VanDerWaalsContact CD-NH2 3.32Å; E457-R477 IonicContact OE1-CZ 3.52Å; E457-R477 IonicContact OE1-NH1 3.78Å; E457-R477 PolarHBondContact OE1-NH1 3.46Å; E457-R477 IonicContact OE1-NH2 3.22Å; E457-R477 PolarHBondContact OE1-NH2 3.16Å; E457-R477 IonicContact OE2-CZ 3.73Å; E457-R477 IonicContact OE2-NH1 3.96Å; E457-R477 IonicContact OE2-NH2 3.07Å; E457-R477 PolarHBondContact OE2-NH2 3.32Å; E457-R477 VanDerWaalsContact OE2-NH2 3.16Å; S475-R477 PolarHBondContact O-N 3.2Å; R477-Q479 PolarHBondContact O-N 3.07Å
478	K	68.9	Low	79.1	Confident	120 Å²	120	74.8 Å²	74.8	52%	0.522	39%	0.394	S	S	.	.			trans	-69.9	107.2	171	-172.2	-177.2	-177.1	-167.8	0	109.4	C476 E502	C476-K478 PolarHBondContact O-N 2.73Å; K478-E502 WeakPolarHBondContact CE-OE1 3.39Å; K478-E502 WeakPolarHBondContact CE-OE2 3.48Å; K478-E502 IonicContact NZ-OE1 2.64Å; K478-E502 PolarHBondContact NZ-OE1 2.85Å; K478-E502 IonicContact NZ-OE2 3.15Å; K478-E502 PolarHBondContact NZ-OE2 3.02Å
479	Q	80.9	Confident	79.2	Confident	24 Å²	24	70.3 Å²	70.3	11%	0.112	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-84.3	119.5	173	-172.7	-179	-3.8	0	0	108.6	E457 V467 K469 K470 R477	E457-Q479 VanDerWaalsContact CB-NE2 3.26Å; V467-Q479 HydrophobicContact CG1-CG 3.93Å; K469-Q479 WeakPolarHBondContact CA-O 3.27Å; K470-Q479 HydrophobicContact CB-CB 3.96Å; K470-Q479 HydrophobicContact CB-CG 4.44Å; K470-Q479 PolarHBondContact N-O 2.97Å; K470-Q479 VanDerWaalsContact N-O 3.17Å; K470-Q479 WeakPolarHBondContact O-CB 2.74Å; K470-Q479 PolarHBondContact O-N 3.17Å; K470-Q479 VanDerWaalsContact O-N 3.08Å; R477-Q479 PolarHBondContact O-N 3.07Å
480	R	87.6	Confident	79.6	Confident	47 Å²	47	64.9 Å²	64.9	18%	0.177	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-88.4	147.5	179.1	-67	-172.8	64.1	-177.4	2.2	111.4	L499 E502 D542	R480-L499 HydrophobicContact CB-CD1 4.38Å; R480-E502 WeakPolarHBondContact CG-OE1 3.47Å; R480-E502 IonicContact NE-OE1 3.75Å; R480-D542 IonicContact CZ-OD2 3.87Å; R480-D542 IonicContact NH1-OD2 3.81Å; R480-D542 PolarHBondContact NH1-OD2 3.29Å; R480-D542 IonicContact NH2-OD2 3.25Å; R480-D542 PolarHBondContact NH2-OD2 2.64Å
481	H	93.2	Very high	80.3	Confident	37 Å²	37	59.2 Å²	59.2	17%	0.171	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-70.6	131.1	170.7	172.4	54.2	0	0	0	110.4	V467 K469	V467-H481 VanDerWaalsContact O-CA 3.28Å; V467-H481 WeakPolarHBondContact O-CA 3.42Å; V467-H481 PolarHBondContact O-ND1 3.41Å; K469-H481 HydrophobicContact CB-CB 4.21Å
482	Y	96.5	Very high	81.9	Confident	6 Å²	6	52.3 Å²	52.3	2%	0.024	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	154.4	168.6	76.6	-95.4	0	0	0	110.6	D455 V467 L497 V498 N531 L535	D455-Y482 PolarHBondContact OD2-OH 3.32Å; V467-Y482 HydrophobicContact CB-CD1 3.66Å; V467-Y482 HydrophobicContact CB-CE1 3.53Å; V467-Y482 HydrophobicContact CB-CG 4.28Å; V467-Y482 HydrophobicContact CG1-CD1 3.98Å; V467-Y482 HydrophobicContact CG1-CE1 3.79Å; V467-Y482 HydrophobicContact CG2-CD1 4Å; V467-Y482 HydrophobicContact CG2-CE1 3.36Å; V467-Y482 HydrophobicContact CG2-CE2 4.11Å; V467-Y482 VanDerWaalsContact CG2-CZ 3.42Å; V467-Y482 PolarHBondContact N-O 3.48Å; V467-Y482 PolarHBondContact O-N 3.23Å; Y482-L497 HydrophobicContact CD2-CD1 3.75Å; Y482-L497 HydrophobicContact CD2-CG 3.95Å; Y482-L497 HydrophobicContact CE2-CD1 3.76Å; Y482-L497 HydrophobicContact CE2-CG 4.41Å; Y482-V498 WeakPolarHBondContact CA-O 3.38Å; Y482-V498 WeakPolarHBondContact CB-O 3.35Å; Y482-N531 PolarHBondContact OH-ND2 2.82Å; Y482-L535 HydrophobicContact CD1-CD1 4.06Å; Y482-L535 HydrophobicContact CE1-CD1 4.18Å; Y482-L535 HydrophobicContact CE1-CD2 3.9Å; Y482-L535 HydrophobicContact CG-CD1 4.42Å
483	A	97.9	Very high	83.8	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	140.8	171.5	0	0	0	0	0	109.2	W444 W464 G465 V466 V498	W444-A483 HydrophobicContact CD2-CB 3.91Å; W444-A483 HydrophobicContact CE3-CB 4.39Å; W444-A483 HydrophobicContact CG-CB 4.21Å; W444-A483 HydrophobicContact CZ2-CB 4.15Å; W464-A483 HydrophobicContact CE3-CB 4.2Å; G465-A483 CarbonylContact O-C 3.57Å; G465-A483 WeakPolarHBondContact O-CA 3.45Å; V466-A483 HydrophobicContact CG2-CB 4.16Å; A483-V498 PolarHBondContact N-O 2.83Å; A483-V498 PolarHBondContact O-N 3.45Å
484	S	98.3	Very high	85.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	158.4	178.8	65.4	0	0	0	0	112.4	W454 G465 L496 N531	W454-S484 PolarHBondContact NE1-OG 2.97Å; G465-S484 WeakPolarHBondContact CA-O 3.36Å; G465-S484 PolarHBondContact N-O 2.9Å; G465-S484 PolarHBondContact O-N 3.49Å; G465-S484 VanDerWaalsContact O-O 3.14Å; S484-L496 CarbonylContact C-O 3.27Å; S484-L496 WeakPolarHBondContact CA-O 3.45Å; S484-L496 WeakPolarHBondContact CB-O 3.38Å; S484-N531 PolarHBondContact OG-OD1 3.41Å
485	H	98.3	Very high	87.8	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	128.8	162.3	-158.9	-65.8	0	0	0	110.2	S164 Y323 Y460 A463 V495 L496	S164-H485 WeakPolarHBondContact CB-CE1 3.5Å; S164-H485 PolarHBondContact O-ND1 3.43Å; Y323-H485 AromaticContact CE2-NE2 3.79Å; Y323-H485 AromaticContact CZ-CE1 3.97Å; Y323-H485 PolarHBondContact OH-CE1 3.2Å; Y460-H485 AromaticContact CE2-NE2 3.18Å; Y460-H485 WeakPolarHBondContact CE2-NE2 3.33Å; Y460-H485 AromaticContact CZ-NE2 3.04Å; Y460-H485 PolarHBondContact OH-CD2 2.94Å; Y460-H485 PolarHBondContact OH-NE2 2.97Å; A463-H485 PolarHBondContact O-CD2 3.39Å; H485-V495 WeakPolarHBondContact O-CA 3.37Å; H485-L496 PolarHBondContact N-O 3.39Å; H485-L496 PolarHBondContact O-N 3.05Å
486	T	97.1	Very high	90	Very high	28 Å²	28	30.6 Å²	30.6	17%	0.172	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	137.5	173.3	65.7	0	0	0	0	111	W454 S494 V495 N531	W454-T486 HydrophobicContact CB-CG2 4.34Å; W454-T486 HydrophobicContact CD2-CG2 3.68Å; W454-T486 HydrophobicContact CE3-CG2 4.16Å; W454-T486 HydrophobicContact CG-CG2 3.78Å; W454-T486 HydrophobicContact CZ2-CG2 4.44Å; W454-T486 VanDerWaalsContact CZ3-OG1 3.3Å; W454-T486 WeakPolarHBondContact CZ3-OG1 3.06Å; T486-S494 CarbonylContact C-O 3.28Å; T486-S494 WeakPolarHBondContact CA-O 3.19Å; T486-V495 HydrophobicContact CG2-CB 4.32Å; T486-V495 HydrophobicContact CG2-CG2 3.99Å; T486-N531 HydrophobicContact CG2-CB 3.81Å
487	G	94.4	Very high	92.1	Very high	7 Å²	7	23.7 Å²	23.7	7%	0.072	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	137.4	173.8	0	0	0	0	0	112.9	S493 S494	G487-S493 CarbonylContact O-C 3.46Å; G487-S493 VanDerWaalsContact O-CA 3.29Å; G487-S493 WeakPolarHBondContact O-CA 3.47Å; G487-S494 VanDerWaalsContact CA-OG 3.25Å; G487-S494 WeakPolarHBondContact CA-OG 3.48Å; G487-S494 PolarHBondContact N-O 3.18Å; G487-S494 PolarHBondContact N-OG 2.8Å; G487-S494 PolarHBondContact O-N 3.22Å
488	G	93.8	Very high	94.1	Very high	44 Å²	44	15.9 Å²	15.9	45%	0.454	9%	0.088	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.9	161.6	0	0	0	0	0	109.5	A163	A163-G488 VanDerWaalsContact CB-C 3.49Å
489	A	92.9	Very high	95.5	Very high	11 Å²	11	10.2 Å²	10.2	9%	0.091	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	173.2	171.9	0	0	0	0	0	109.4	A163 G491 A492 Q526	A163-A489 HydrophobicContact CB-CB 3.55Å; A489-G491 PolarHBondContact O-N 2.99Å; A489-G491 VanDerWaalsContact O-N 3.14Å; A489-A492 PolarHBondContact N-O 3.31Å; A489-A492 PolarHBondContact O-N 3.09Å; A489-A492 VanDerWaalsContact O-O 3.06Å; A489-Q526 WeakPolarHBondContact O-CG 3.43Å
490	V	92.9	Very high	96.2	Very high	5 Å²	5	9.5 Å²	9.5	3%	0.03	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	124.3	167.7	173.8	0	0	0	0	107.8	R161 L292 Y293 T386 V389 A492	R161-V490 WeakPolarHBondContact CD-O 3.48Å; R161-V490 PolarHBondContact NH1-O 3.43Å; L292-V490 HydrophobicContact CD1-CG2 4.18Å; L292-V490 HydrophobicContact CD2-CG2 4.15Å; L292-V490 HydrophobicContact CG-CG2 3.85Å; Y293-V490 HydrophobicContact CD1-CG1 4.32Å; Y293-V490 HydrophobicContact CD1-CG2 3.89Å; Y293-V490 HydrophobicContact CE1-CB 4.37Å; Y293-V490 HydrophobicContact CE1-CG1 3.84Å; Y293-V490 HydrophobicContact CE1-CG2 3.57Å; T386-V490 HydrophobicContact CG2-CG1 3.95Å; V389-V490 HydrophobicContact CG1-CB 4.31Å; V389-V490 HydrophobicContact CG1-CG1 4.15Å; V389-V490 HydrophobicContact CG1-CG2 4.09Å; V389-V490 HydrophobicContact CG2-CB 4.26Å; V490-A492 VanDerWaalsContact C-N 3.25Å; V490-A492 PolarHBondContact O-N 3.24Å; V490-A492 VanDerWaalsContact O-N 3.17Å
491	G	94.6	Very high	96.4	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	11.8	177	0	0	0	0	0	117.8	F374 Y375 A489 N524 M525	F374-G491 WeakPolarHBondContact CB-O 3.21Å; Y375-G491 WeakPolarHBondContact O-CA 3.41Å; A489-G491 PolarHBondContact O-N 2.99Å; A489-G491 VanDerWaalsContact O-N 3.14Å; G491-N524 CarbonylContact O-C 3.58Å; G491-M525 WeakPolarHBondContact O-CA 3.08Å; G491-M525 PolarHBondContact O-N 2.87Å
492	A	96.6	Very high	96	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	154.5	179.7	0	0	0	0	0	113.2	R161 F374 A489 V490 C523 M525	R161-A492 HydrophobicContact CB-CB 3.48Å; R161-A492 VanDerWaalsContact CB-CB 3.48Å; R161-A492 HydrophobicContact CG-CB 4.35Å; F374-A492 HydrophobicContact CD1-CB 4.1Å; F374-A492 HydrophobicContact CE1-CB 4.3Å; A489-A492 PolarHBondContact N-O 3.31Å; A489-A492 PolarHBondContact O-N 3.09Å; A489-A492 VanDerWaalsContact O-O 3.06Å; V490-A492 VanDerWaalsContact C-N 3.25Å; V490-A492 PolarHBondContact O-N 3.24Å; V490-A492 VanDerWaalsContact O-N 3.17Å; A492-C523 VanDerWaalsContact CA-O 3.31Å; A492-C523 WeakPolarHBondContact CA-O 3.29Å; A492-M525 CarbonylContact C-O 3.47Å; A492-M525 WeakPolarHBondContact CA-O 3.45Å
493	S	98.1	Very high	95.2	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.014	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	147.2	174.9	-46.6	0	0	0	0	109.8	G487 C523 M525 S527 V528	G487-S493 CarbonylContact O-C 3.46Å; G487-S493 VanDerWaalsContact O-CA 3.29Å; G487-S493 WeakPolarHBondContact O-CA 3.47Å; S493-C523 PolarHBondContact N-O 3.39Å; S493-C523 PolarHBondContact O-N 3.16Å; S493-M525 WeakPolarHBondContact CB-O 3.47Å; S493-M525 PolarHBondContact N-O 2.97Å; S493-M525 VanDerWaalsContact N-O 3.1Å; S493-M525 PolarHBondContact OG-O 3.44Å; S493-S527 PolarHBondContact OG-N 2.87Å; S493-S527 VanDerWaalsContact OG-N 3.1Å; S493-V528 WeakPolarHBondContact CB-O 3.36Å; S493-V528 PolarHBondContact OG-N 2.57Å
494	S	98.6	Very high	94	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.014	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	161.5	-176.2	62.9	0	0	0	0	111.9	I162 I165 T486 G487 I521	I162-S494 PolarHBondContact O-OG 2.87Å; I165-S494 WeakPolarHBondContact CD1-OG 3.1Å; T486-S494 CarbonylContact C-O 3.28Å; T486-S494 WeakPolarHBondContact CA-O 3.19Å; G487-S494 VanDerWaalsContact CA-OG 3.25Å; G487-S494 WeakPolarHBondContact CA-OG 3.48Å; G487-S494 PolarHBondContact N-O 3.18Å; G487-S494 PolarHBondContact N-OG 2.8Å; G487-S494 PolarHBondContact O-N 3.22Å; S494-I521 CarbonylContact C-O 3.57Å; S494-I521 VanDerWaalsContact CA-O 3.25Å; S494-I521 WeakPolarHBondContact CA-O 3.33Å
495	V	98.8	Very high	92.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	144.2	162	61.9	0	0	0	0	109.9	H485 T486 L497 S520 I521 L530 N531 A534	H485-V495 WeakPolarHBondContact O-CA 3.37Å; T486-V495 HydrophobicContact CG2-CB 4.32Å; T486-V495 HydrophobicContact CG2-CG2 3.99Å; V495-L497 HydrophobicContact CG2-CB 4.49Å; V495-S520 WeakPolarHBondContact O-CA 3.43Å; V495-S520 PolarHBondContact O-OG 2.69Å; V495-I521 HydrophobicContact CG1-CB 3.95Å; V495-I521 HydrophobicContact CG1-CD1 4.38Å; V495-I521 HydrophobicContact CG1-CG1 4.11Å; V495-I521 PolarHBondContact N-O 3.03Å; V495-I521 PolarHBondContact O-N 2.64Å; V495-L530 HydrophobicContact CB-CB 4.06Å; V495-L530 HydrophobicContact CG1-CB 3.51Å; V495-N531 HydrophobicContact CG2-CB 4.43Å; V495-A534 HydrophobicContact CG1-CB 3.62Å; V495-A534 HydrophobicContact CG2-CB 4.37Å
496	L	98.9	Very high	90.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.6	159.1	173.7	63	0	0	0	107.3	I165 L407 F410 W464 S484 H485 I518	I165-L496 HydrophobicContact CD1-CB 3.98Å; I165-L496 HydrophobicContact CG1-CB 4.49Å; I165-L496 HydrophobicContact CG2-CB 4.43Å; I165-L496 HydrophobicContact CG2-CD2 4.41Å; L407-L496 HydrophobicContact CB-CD1 4.46Å; F410-L496 HydrophobicContact CD1-CD2 3.46Å; F410-L496 VanDerWaalsContact CD1-CD2 3.46Å; F410-L496 HydrophobicContact CE1-CD2 3.84Å; W464-L496 HydrophobicContact CH2-CD2 3.87Å; W464-L496 HydrophobicContact CH2-CG 4.47Å; W464-L496 HydrophobicContact CZ3-CD2 4.35Å; S484-L496 CarbonylContact C-O 3.27Å; S484-L496 WeakPolarHBondContact CA-O 3.45Å; S484-L496 WeakPolarHBondContact CB-O 3.38Å; H485-L496 PolarHBondContact N-O 3.39Å; H485-L496 PolarHBondContact O-N 3.05Å; L496-I518 HydrophobicContact CD1-CG2 3.7Å
497	L	98.8	Very high	89.1	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	133.8	179	-177	148	0	0	0	109.4	Y482 V495 L499 I518 V519 A534 L535 A538	Y482-L497 HydrophobicContact CD2-CD1 3.75Å; Y482-L497 HydrophobicContact CD2-CG 3.95Å; Y482-L497 HydrophobicContact CE2-CD1 3.76Å; Y482-L497 HydrophobicContact CE2-CG 4.41Å; V495-L497 HydrophobicContact CG2-CB 4.49Å; L497-L499 HydrophobicContact CD2-CB 4.08Å; L497-I518 CarbonylContact O-C 3.36Å; L497-I518 WeakPolarHBondContact O-CA 3.27Å; L497-I518 WeakPolarHBondContact O-CG2 3.38Å; L497-V519 PolarHBondContact N-O 2.81Å; L497-V519 PolarHBondContact O-N 3.35Å; L497-A534 HydrophobicContact CB-CB 4.28Å; L497-A534 HydrophobicContact CD1-CB 4.46Å; L497-L535 HydrophobicContact CD1-CB 3.85Å; L497-L535 HydrophobicContact CD1-CD1 4.21Å; L497-A538 HydrophobicContact CD2-CB 3.79Å
498	V	98.8	Very high	87.8	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120.5	175.4	-175.3	0	0	0	0	107.7	L415 W444 W464 Y482 A483 P500 I518	L415-V498 HydrophobicContact CB-CG1 4Å; L415-V498 HydrophobicContact CD1-CG1 3.99Å; L415-V498 HydrophobicContact CD2-CG1 4.15Å; L415-V498 HydrophobicContact CG-CG1 4.27Å; W444-V498 HydrophobicContact CH2-CB 4.34Å; W444-V498 HydrophobicContact CH2-CG1 3.85Å; W444-V498 HydrophobicContact CZ2-CG1 4.48Å; W444-V498 HydrophobicContact CZ2-CG2 4.5Å; W464-V498 HydrophobicContact CZ3-CG2 4.46Å; Y482-V498 WeakPolarHBondContact CA-O 3.38Å; Y482-V498 WeakPolarHBondContact CB-O 3.35Å; A483-V498 PolarHBondContact N-O 2.83Å; A483-V498 PolarHBondContact O-N 3.45Å; V498-P500 WeakPolarHBondContact O-CD 3.3Å; V498-I518 HydrophobicContact CG1-CD1 4.14Å; V498-I518 HydrophobicContact CG1-CG1 4.17Å; V498-I518 HydrophobicContact CG2-CD1 4.2Å; V498-I518 HydrophobicContact CG2-CG1 4.43Å; V498-I518 HydrophobicContact CG2-CG2 4.22Å
499	L	97.9	Very high	86.2	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	92.9	177.3	178.8	66.5	0	0	0	108.3	R480 L497 G516 I517 A538 L539 D542	R480-L499 HydrophobicContact CB-CD1 4.38Å; L497-L499 HydrophobicContact CD2-CB 4.08Å; L499-G516 CarbonylContact O-C 3.56Å; L499-G516 WeakPolarHBondContact O-CA 3.47Å; L499-I517 HydrophobicContact CB-CB 4.41Å; L499-I517 HydrophobicContact CD2-CG1 4.48Å; L499-I517 PolarHBondContact N-O 3.01Å; L499-I517 PolarHBondContact O-N 3.32Å; L499-A538 HydrophobicContact CB-CB 4.22Å; L499-A538 HydrophobicContact CD2-CB 3.76Å; L499-L539 HydrophobicContact CD2-CD2 4.14Å; L499-D542 HydrophobicContact CD2-CB 4.33Å
500	P	95.8	Very high	85.1	Confident	9 Å²	9	39.4 Å²	39.4	6%	0.058	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	148.7	177	-22.6	33.8	0	0	0	112.3	L415 W444 V498	L415-P500 HydrophobicContact CD1-CB 3.9Å; L415-P500 HydrophobicContact CD1-CG 3.88Å; W444-P500 HydrophobicContact CZ3-CG 4.42Å; V498-P500 WeakPolarHBondContact O-CD 3.3Å
501	E	92.5	Very high	84.5	Confident	26 Å²	26	42 Å²	42	12%	0.121	22%	0.22	C	C	.	.			trans	-60.5	139.4	164.2	-178	167.4	176.3	0	0	109.8	L503 K511 R515 R545	E501-L503 VanDerWaalsContact C-N 3.31Å; E501-L503 HydrophobicContact CB-CD2 4.18Å; E501-L503 HydrophobicContact CB-CG 4.31Å; E501-L503 HydrophobicContact CG-CD2 3.85Å; E501-L503 HydrophobicContact CG-CG 4.31Å; E501-L503 PolarHBondContact O-N 3.24Å; E501-K511 IonicContact OE1-NZ 2.73Å; E501-K511 PolarHBondContact OE1-NZ 3.34Å; E501-R515 HydrophobicContact CB-CB 3.96Å; E501-R515 WeakPolarHBondContact CB-O 3.35Å; E501-R515 PolarHBondContact N-O 2.87Å; E501-R515 IonicContact OE1-NH2 2.67Å; E501-R515 WeakPolarHBondContact OE2-CB 3.41Å; E501-R515 IonicContact OE2-CZ 3.34Å; E501-R515 IonicContact OE2-NE 3.19Å; E501-R515 PolarHBondContact OE2-NE 3.44Å; E501-R515 IonicContact OE2-NH2 2.77Å; E501-R515 PolarHBondContact OE2-NH2 2.88Å; E501-R545 IonicContact OE2-CZ 3.18Å; E501-R545 IonicContact OE2-NH1 2.67Å; E501-R545 PolarHBondContact OE2-NH1 3.27Å; E501-R545 IonicContact OE2-NH2 2.67Å
502	E	83.9	Confident	84.1	Confident	60 Å²	60	44.9 Å²	44.9	28%	0.28	24%	0.238	S	C	.	.			trans	-75.7	88.9	167.2	-74	-174.7	-135	0	0	108.6	K469 K478 R480	K469-E502 WeakPolarHBondContact CE-OE2 3.46Å; K469-E502 IonicContact NZ-OE2 3.94Å; K469-E502 PolarHBondContact NZ-OE2 3.37Å; K478-E502 WeakPolarHBondContact CE-OE1 3.39Å; K478-E502 WeakPolarHBondContact CE-OE2 3.48Å; K478-E502 IonicContact NZ-OE1 2.64Å; K478-E502 PolarHBondContact NZ-OE1 2.85Å; K478-E502 IonicContact NZ-OE2 3.15Å; K478-E502 PolarHBondContact NZ-OE2 3.02Å; R480-E502 WeakPolarHBondContact CG-OE1 3.47Å; R480-E502 IonicContact NE-OE1 3.75Å
503	L	79.8	Confident	83.9	Confident	40 Å²	40	45.2 Å²	45.2	21%	0.209	24%	0.24	C	C	.	.			trans	-78.2	137.8	176.3	-59.9	169.1	0	0	0	110.5	F423 E501 I508 R515	F423-L503 HydrophobicContact CE2-CD1 3.55Å; F423-L503 HydrophobicContact CZ-CD1 3.55Å; F423-L503 HydrophobicContact CZ-CD2 4.15Å; E501-L503 VanDerWaalsContact C-N 3.31Å; E501-L503 HydrophobicContact CB-CD2 4.18Å; E501-L503 HydrophobicContact CB-CG 4.31Å; E501-L503 HydrophobicContact CG-CD2 3.85Å; E501-L503 HydrophobicContact CG-CG 4.31Å; E501-L503 PolarHBondContact O-N 3.24Å; L503-I508 HydrophobicContact CB-CG1 4.36Å; L503-R515 HydrophobicContact CD2-CB 4.31Å; L503-R515 HydrophobicContact CD2-CG 4.47Å
504	D	73.3	Confident	83.7	Confident	86 Å²	86	46.1 Å²	46.1	46%	0.46	25%	0.245	S	C	.	.			trans	-111.7	172.6	166.6	61.5	37.8	0	0	0	110.7	E506 T507 I508	D504-E506 PolarHBondContact O-N 2.9Å; D504-E506 PolarHBondContact OD1-N 2.94Å; D504-T507 VanDerWaalsContact CG-OG1 3.28Å; D504-T507 PolarHBondContact N-OG1 3.09Å; D504-T507 PolarHBondContact O-N 2.7Å; D504-T507 PolarHBondContact O-OG1 2.97Å; D504-T507 VanDerWaalsContact O-OG1 3.13Å; D504-T507 WeakPolarHBondContact OD1-CB 3.19Å; D504-T507 PolarHBondContact OD1-N 2.8Å; D504-T507 PolarHBondContact OD1-OG1 3.1Å; D504-I508 WeakPolarHBondContact O-CG1 3.37Å; D504-I508 PolarHBondContact O-N 3.39Å
505	T	64.3	Low	83.5	Confident	124 Å²	124	48 Å²	48	76%	0.761	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-20.5	-173.7	-37.1	0	0	0	0	113.3
506	E	62.8	Low	83.4	Confident	163 Å²	163	48 Å²	48	76%	0.762	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-39.5	178	-65.3	-174.7	171.2	0	0	111.4	D504 I508 N509	D504-E506 PolarHBondContact O-N 2.9Å; D504-E506 PolarHBondContact OD1-N 2.94Å; E506-I508 VanDerWaalsContact C-N 3.29Å; E506-I508 PolarHBondContact O-N 3.27Å; E506-N509 PolarHBondContact O-N 3.05Å
507	T	63.6	Low	83.4	Confident	38 Å²	38	48 Å²	48	23%	0.233	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-68	-22.4	179.3	37.3	0	0	0	0	114.6	D504 N509	D504-T507 VanDerWaalsContact CG-OG1 3.28Å; D504-T507 PolarHBondContact N-OG1 3.09Å; D504-T507 PolarHBondContact O-N 2.7Å; D504-T507 PolarHBondContact O-OG1 2.97Å; D504-T507 VanDerWaalsContact O-OG1 3.13Å; D504-T507 WeakPolarHBondContact OD1-CB 3.19Å; D504-T507 PolarHBondContact OD1-N 2.8Å; D504-T507 PolarHBondContact OD1-OG1 3.1Å; T507-N509 VanDerWaalsContact C-N 3.31Å; T507-N509 PolarHBondContact O-N 3.28Å
508	I	66.9	Low	83.4	Confident	26 Å²	26	48 Å²	48	13%	0.133	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-64.4	-32.8	179	-73	167.3	0	0	0	112.4	L422 F423 L503 D504 E506 N510	L422-I508 HydrophobicContact CB-CD1 4.37Å; F423-I508 HydrophobicContact CD1-CB 4.5Å; F423-I508 HydrophobicContact CD1-CG2 3.84Å; F423-I508 HydrophobicContact CE1-CB 4.4Å; F423-I508 HydrophobicContact CE1-CG1 4.39Å; F423-I508 HydrophobicContact CE1-CG2 4.23Å; F423-I508 HydrophobicContact CG-CG2 4.31Å; L503-I508 HydrophobicContact CB-CG1 4.36Å; D504-I508 WeakPolarHBondContact O-CG1 3.37Å; D504-I508 PolarHBondContact O-N 3.39Å; E506-I508 VanDerWaalsContact C-N 3.29Å; E506-I508 PolarHBondContact O-N 3.27Å; I508-N510 VanDerWaalsContact C-N 3.28Å; I508-N510 PolarHBondContact O-N 2.89Å
509	N	61.5	Low	83.4	Confident	93 Å²	93	48 Å²	48	50%	0.497	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-72.1	-18	-171.1	-67.2	-28.4	0	0	0	114.5	E506 T507	E506-N509 PolarHBondContact O-N 3.05Å; T507-N509 VanDerWaalsContact C-N 3.31Å; T507-N509 PolarHBondContact O-N 3.28Å
510	N	69.4	Low	83.4	Confident	154 Å²	154	48 Å²	48	82%	0.824	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-122.3	11.9	-173.6	-67	-26.5	0	0	0	113.6	I508	I508-N510 VanDerWaalsContact C-N 3.28Å; I508-N510 PolarHBondContact O-N 2.89Å
511	K	80.6	Confident	83.6	Confident	59 Å²	59	47.6 Å²	47.6	26%	0.257	25%	0.25	S	C	.	.			trans	-131.6	157.2	-175.5	-74.2	176	174.2	170.8	0	111	F423 E501	F423-K511 VanDerWaalsContact CD1-O 3.24Å; F423-K511 WeakPolarHBondContact CD1-O 3.29Å; F423-K511 HydrophobicContact CE1-CB 4.05Å; F423-K511 WeakPolarHBondContact CE1-O 3.05Å; E501-K511 IonicContact OE1-NZ 2.73Å; E501-K511 PolarHBondContact OE1-NZ 3.34Å
512	V	86.3	Confident	83.8	Confident	60 Å²	60	46.4 Å²	46.4	36%	0.364	24%	0.244	S	C	.	.			trans	-120.1	133.8	-178.4	-171.2	0	0	0	0	109	E428 L430 R515	E428-V512 WeakPolarHBondContact OE2-CG2 3.46Å; L430-V512 HydrophobicContact CD2-CG1 3.91Å; V512-R515 WeakPolarHBondContact O-CD 3.37Å; V512-R515 WeakPolarHBondContact O-CG 3.45Å
513	P	91.6	Very high	84.5	Confident	8 Å²	8	43.6 Å²	43.6	5%	0.052	23%	0.231	C	C	.	.	S	Bend	trans	-72.8	154.4	175.1	28.2	-31.1	0	0	0	112.1	Y416 Q419 F423 L430	Y416-P513 HydrophobicContact CD2-CB 3.92Å; Y416-P513 HydrophobicContact CD2-CG 4.14Å; Y416-P513 WeakPolarHBondContact CD2-O 3.48Å; Y416-P513 HydrophobicContact CE2-CB 4.08Å; Y416-P513 HydrophobicContact CE2-CG 3.77Å; Y416-P513 WeakPolarHBondContact CE2-O 3.26Å; Q419-P513 HydrophobicContact CB-CB 4Å; F423-P513 HydrophobicContact CB-CG 4.18Å; F423-P513 HydrophobicContact CD2-CB 3.8Å; F423-P513 HydrophobicContact CD2-CG 3.64Å; F423-P513 HydrophobicContact CE2-CB 3.85Å; F423-P513 HydrophobicContact CE2-CG 4.17Å; F423-P513 HydrophobicContact CG-CG 3.93Å; L430-P513 HydrophobicContact CD1-CG 4.09Å; L430-P513 HydrophobicContact CD2-CG 4.39Å
514	P	93.8	Very high	85.4	Confident	20 Å²	20	41.7 Å²	41.7	13%	0.13	22%	0.221	C	C	.	.			cis	-84.4	149.1	2.7	33.8	-31.4	0	0	0	112.2	D134 L415 Y416	D134-P514 CarbonylContact C-O 3.59Å; D134-P514 VanDerWaalsContact C-O 3.28Å; D134-P514 WeakPolarHBondContact CA-O 3.26Å; L415-P514 HydrophobicContact CB-CB 4.27Å; L415-P514 HydrophobicContact CD2-CB 4.06Å; L415-P514 HydrophobicContact CG-CB 3.91Å; Y416-P514 HydrophobicContact CD2-CB 4.48Å
515	R	94.3	Very high	86.4	Confident	43 Å²	43	37.8 Å²	37.8	16%	0.162	20%	0.2	C	C	.	.			trans	-127.5	115.4	-175.4	-68.4	-59.8	-60.1	168.4	9.5	110.5	D134 Q419 F423 E501 L503 V512	D134-R515 VanDerWaalsContact CG-CZ 3.43Å; D134-R515 WeakPolarHBondContact OD1-CA 3.45Å; D134-R515 IonicContact OD1-CZ 3.13Å; D134-R515 IonicContact OD1-NE 2.76Å; D134-R515 IonicContact OD1-NH1 3.37Å; D134-R515 IonicContact OD1-NH2 3.16Å; D134-R515 IonicContact OD2-CZ 3.46Å; D134-R515 IonicContact OD2-NE 3.93Å; D134-R515 IonicContact OD2-NH1 2.75Å; D134-R515 PolarHBondContact OD2-NH1 2.69Å; D134-R515 IonicContact OD2-NH2 2.67Å; D134-R515 PolarHBondContact OD2-NH2 2.91Å; Q419-R515 PolarHBondContact NE2-O 3.45Å; F423-R515 HydrophobicContact CZ-CG 4.06Å; E501-R515 HydrophobicContact CB-CB 3.96Å; E501-R515 WeakPolarHBondContact CB-O 3.35Å; E501-R515 PolarHBondContact N-O 2.87Å; E501-R515 IonicContact OE1-NH2 2.67Å; E501-R515 WeakPolarHBondContact OE2-CB 3.41Å; E501-R515 IonicContact OE2-CZ 3.34Å; E501-R515 IonicContact OE2-NE 3.19Å; E501-R515 PolarHBondContact OE2-NE 3.44Å; E501-R515 IonicContact OE2-NH2 2.77Å; E501-R515 PolarHBondContact OE2-NH2 2.88Å; L503-R515 HydrophobicContact CD2-CB 4.31Å; L503-R515 HydrophobicContact CD2-CG 4.47Å; V512-R515 WeakPolarHBondContact O-CD 3.37Å; V512-R515 WeakPolarHBondContact O-CG 3.45Å
516	G	96.4	Very high	87.6	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.8	-172.2	-176.4	0	0	0	0	0	113.5	D134 L499	D134-G516 PolarHBondContact N-O 3.27Å; D134-G516 PolarHBondContact OD1-N 3.18Å; L499-G516 CarbonylContact O-C 3.56Å; L499-G516 WeakPolarHBondContact O-CA 3.47Å
517	I	98.5	Very high	88.8	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	139.8	-176.8	-39.5	-52.4	0	0	0	110.6	V131 S132 V133 L499 V519 A538 F541 D542	V131-I517 HydrophobicContact CG1-CG2 3.87Å; S132-I517 CarbonylContact O-C 3.58Å; S132-I517 WeakPolarHBondContact O-CA 3.44Å; V133-I517 HydrophobicContact CB-CD1 4.32Å; V133-I517 HydrophobicContact CG1-CD1 3.95Å; V133-I517 HydrophobicContact CG2-CD1 3.87Å; V133-I517 HydrophobicContact CG2-CG2 4.47Å; L499-I517 HydrophobicContact CB-CB 4.41Å; L499-I517 HydrophobicContact CD2-CG1 4.48Å; L499-I517 PolarHBondContact N-O 3.01Å; L499-I517 PolarHBondContact O-N 3.32Å; I517-V519 HydrophobicContact CG2-CG2 4.19Å; I517-A538 HydrophobicContact CB-CB 4.4Å; I517-A538 HydrophobicContact CG2-CB 4.28Å; I517-F541 HydrophobicContact CD1-CB 4.44Å; I517-F541 HydrophobicContact CG2-CB 3.92Å; I517-D542 HydrophobicContact CD1-CB 4.2Å; I517-D542 HydrophobicContact CG1-CB 3.7Å
518	I	98.8	Very high	90.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.6	173.4	-50	-164.4	0	0	0	108.6	V131 S132 L408 G411 N412 L415 L496 L497 V498	V131-I518 CarbonylContact C-O 3.54Å; V131-I518 VanDerWaalsContact CA-O 3.28Å; V131-I518 WeakPolarHBondContact CA-O 3.39Å; S132-I518 PolarHBondContact N-O 3.48Å; S132-I518 PolarHBondContact O-N 3.41Å; L408-I518 HydrophobicContact CD2-CB 4.17Å; L408-I518 HydrophobicContact CD2-CG2 3.86Å; L408-I518 WeakPolarHBondContact CD2-O 3.3Å; G411-I518 VanDerWaalsContact O-CD1 3.27Å; G411-I518 WeakPolarHBondContact O-CD1 3.38Å; N412-I518 HydrophobicContact CB-CD1 4.33Å; N412-I518 VanDerWaalsContact OD1-CD1 3.23Å; N412-I518 WeakPolarHBondContact OD1-CD1 3.28Å; L415-I518 HydrophobicContact CB-CD1 4.19Å; L415-I518 HydrophobicContact CD2-CD1 4.11Å; L415-I518 HydrophobicContact CD2-CG1 4.27Å; L496-I518 HydrophobicContact CD1-CG2 3.7Å; L497-I518 CarbonylContact O-C 3.36Å; L497-I518 WeakPolarHBondContact O-CA 3.27Å; L497-I518 WeakPolarHBondContact O-CG2 3.38Å; V498-I518 HydrophobicContact CG1-CD1 4.14Å; V498-I518 HydrophobicContact CG1-CG1 4.17Å; V498-I518 HydrophobicContact CG2-CD1 4.2Å; V498-I518 HydrophobicContact CG2-CG1 4.43Å; V498-I518 HydrophobicContact CG2-CG2 4.22Å
519	V	98.9	Very high	91.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.5	-179.6	-176.3	0	0	0	0	108.8	V129 G130 V131 L497 I517 I521 A534 I537 A538	V129-V519 HydrophobicContact CG2-CG1 4.38Å; G130-V519 WeakPolarHBondContact O-CA 3.34Å; V131-V519 HydrophobicContact CG1-CG2 4.35Å; V131-V519 HydrophobicContact CG2-CG1 4.28Å; V131-V519 HydrophobicContact CG2-CG2 4.13Å; L497-V519 PolarHBondContact N-O 2.81Å; L497-V519 PolarHBondContact O-N 3.35Å; I517-V519 HydrophobicContact CG2-CG2 4.19Å; V519-I521 HydrophobicContact CG1-CD1 4.46Å; V519-I521 HydrophobicContact CG1-CG1 4.08Å; V519-A534 HydrophobicContact CB-CB 4.3Å; V519-A534 HydrophobicContact CG1-CB 3.9Å; V519-I537 HydrophobicContact CG1-CB 4.28Å; V519-I537 HydrophobicContact CG1-CG2 3.96Å; V519-I537 HydrophobicContact CG2-CB 4.43Å; V519-I537 HydrophobicContact CG2-CG2 3.92Å; V519-A538 HydrophobicContact CG2-CB 3.7Å
520	S	98.9	Very high	93.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.8	166.8	-171.4	0	0	0	0	110	V129 G130 L407 V495	V129-S520 CarbonylContact C-O 3.57Å; V129-S520 WeakPolarHBondContact CA-O 3.41Å; G130-S520 PolarHBondContact N-O 3.11Å; G130-S520 PolarHBondContact O-N 2.95Å; L407-S520 VanDerWaalsContact CD1-OG 3.22Å; L407-S520 WeakPolarHBondContact CD1-OG 3.25Å; V495-S520 WeakPolarHBondContact O-CA 3.43Å; V495-S520 PolarHBondContact O-OG 2.69Å
521	I	98.8	Very high	94.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	129.6	170.6	-45.1	178	0	0	0	108	L115 I127 V128 V129 S494 V495 V519 L530 T533 A534 I537	L115-I521 HydrophobicContact CD1-CD1 4.47Å; L115-I521 HydrophobicContact CD1-CG2 4Å; I127-I521 HydrophobicContact CD1-CG2 3.72Å; I127-I521 HydrophobicContact CG1-CG2 3.63Å; V128-I521 CarbonylContact O-C 3.59Å; V128-I521 VanDerWaalsContact O-CA 3.3Å; V128-I521 WeakPolarHBondContact O-CA 3.36Å; V128-I521 WeakPolarHBondContact O-CG2 3.47Å; V129-I521 HydrophobicContact CG2-CG1 4.02Å; S494-I521 CarbonylContact C-O 3.57Å; S494-I521 VanDerWaalsContact CA-O 3.25Å; S494-I521 WeakPolarHBondContact CA-O 3.33Å; V495-I521 HydrophobicContact CG1-CB 3.95Å; V495-I521 HydrophobicContact CG1-CD1 4.38Å; V495-I521 HydrophobicContact CG1-CG1 4.11Å; V495-I521 PolarHBondContact N-O 3.03Å; V495-I521 PolarHBondContact O-N 2.64Å; V519-I521 HydrophobicContact CG1-CD1 4.46Å; V519-I521 HydrophobicContact CG1-CG1 4.08Å; I521-L530 HydrophobicContact CB-CD1 4.23Å; I521-L530 HydrophobicContact CG2-CD1 4.14Å; I521-L530 HydrophobicContact CG2-CD2 4.06Å; I521-T533 HydrophobicContact CD1-CG2 4.16Å; I521-A534 HydrophobicContact CD1-CB 3.91Å; I521-A534 HydrophobicContact CG1-CB 4.34Å; I521-I537 HydrophobicContact CD1-CD1 4.13Å
522	I	98.6	Very high	95.4	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.3	174.5	-41	166.3	0	0	0	109.1	I127 V128 M160 I162 V404 L407	I127-I522 CarbonylContact C-O 3.59Å; I127-I522 WeakPolarHBondContact CA-O 3.47Å; V128-I522 PolarHBondContact N-O 3.19Å; V128-I522 PolarHBondContact O-N 2.71Å; M160-I522 HydrophobicContact CB-CB 4.31Å; M160-I522 HydrophobicContact CB-CG2 3.45Å; M160-I522 VanDerWaalsContact CB-CG2 3.45Å; M160-I522 HydrophobicContact CG-CG2 4.29Å; M160-I522 HydrophobicContact SD-CB 4.29Å; M160-I522 HydrophobicContact SD-CG2 3.99Å; I162-I522 HydrophobicContact CG2-CD1 3.92Å; V404-I522 HydrophobicContact CG1-CD1 3.88Å; V404-I522 HydrophobicContact CG1-CG1 3.91Å; L407-I522 HydrophobicContact CD1-CD1 4.12Å; L407-I522 HydrophobicContact CD1-CG1 4.35Å
523	C	97.9	Very high	95.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132.3	-174.9	175.9	0	0	0	0	109.7	A124 I127 A492 S493 M525 L530	A124-C523 VanDerWaalsContact CB-SG 3.53Å; I127-C523 HydrophobicContact CD1-CB 4.41Å; I127-C523 HydrophobicContact CG1-CB 4.13Å; A492-C523 VanDerWaalsContact CA-O 3.31Å; A492-C523 WeakPolarHBondContact CA-O 3.29Å; S493-C523 PolarHBondContact N-O 3.39Å; S493-C523 PolarHBondContact O-N 3.16Å; C523-M525 PolarHBondContact O-N 2.84Å; C523-L530 HydrophobicContact CB-CD1 4.18Å
524	N	97.7	Very high	96.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-82.3	32.3	179.1	72.6	-7.7	0	0	0	113.7	G126 Y145 A146 M160 A372 R373 F374 Y375 G491	G126-N524 WeakPolarHBondContact CA-OD1 3.45Å; G126-N524 PolarHBondContact N-OD1 3.01Å; G126-N524 PolarHBondContact O-N 3.25Å; G126-N524 VanDerWaalsContact O-N 3.1Å; G126-N524 PolarHBondContact O-OD1 2.82Å; Y145-N524 PolarHBondContact O-ND2 3.23Å; A146-N524 PolarHBondContact O-ND2 3.25Å; M160-N524 HydrophobicContact CE-CB 4.06Å; M160-N524 HydrophobicContact SD-CB 3.95Å; A372-N524 HydrophobicContact CB-CB 4.32Å; R373-N524 VanDerWaalsContact O-CB 3.3Å; R373-N524 WeakPolarHBondContact O-CB 3.3Å; R373-N524 PolarHBondContact O-ND2 3.3Å; F374-N524 HydrophobicContact CD1-CB 4.16Å; Y375-N524 PolarHBondContact N-O 2.88Å; G491-N524 CarbonylContact O-C 3.58Å
525	M	95.8	Very high	96.4	Very high	5 Å²	5	16.2 Å²	16.2	3%	0.025	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-137.5	145.2	173.5	-170.6	166.8	69.4	0	0	112.7	V122 A124 Y375 Y377 L383 G491 A492 S493 C523 V528	V122-M525 HydrophobicContact CB-CE 4Å; V122-M525 HydrophobicContact CG2-CE 3.65Å; V122-M525 WeakPolarHBondContact O-CE 3.29Å; A124-M525 HydrophobicContact CB-CE 3.99Å; Y375-M525 WeakPolarHBondContact O-CA 3.25Å; Y377-M525 HydrophobicContact CD2-CE 4.47Å; Y377-M525 HydrophobicContact CD2-SD 3.75Å; Y377-M525 HydrophobicContact CE2-CE 4.03Å; Y377-M525 HydrophobicContact CE2-SD 3.5Å; Y377-M525 VanDerWaalsContact CE2-SD 3.5Å; L383-M525 HydrophobicContact CD1-SD 4.25Å; G491-M525 WeakPolarHBondContact O-CA 3.08Å; G491-M525 PolarHBondContact O-N 2.87Å; A492-M525 CarbonylContact C-O 3.47Å; A492-M525 WeakPolarHBondContact CA-O 3.45Å; S493-M525 WeakPolarHBondContact CB-O 3.47Å; S493-M525 PolarHBondContact N-O 2.97Å; S493-M525 VanDerWaalsContact N-O 3.1Å; S493-M525 PolarHBondContact OG-O 3.44Å; C523-M525 PolarHBondContact O-N 2.84Å; M525-V528 HydrophobicContact CB-CG2 4.39Å; M525-V528 HydrophobicContact CE-CG2 3.92Å
526	Q	89.4	Confident	96.6	Very high	12 Å²	12	19 Å²	19	6%	0.056	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	144.7	-179.3	-167.6	164.3	-12.3	0	0	113.3	F287 Y293 Y375 V376 A489	F287-Q526 HydrophobicContact CE1-CG 4.41Å; F287-Q526 HydrophobicContact CE2-CG 4.49Å; F287-Q526 HydrophobicContact CZ-CG 4.33Å; Y293-Q526 PolarHBondContact OH-NE2 2.98Å; Y375-Q526 PolarHBondContact O-N 3.19Å; V376-Q526 HydrophobicContact CG2-CB 4.3Å; A489-Q526 WeakPolarHBondContact O-CG 3.43Å
527	S	88	Confident	96.7	Very high	74 Å²	74	19 Å²	19	52%	0.517	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	27.3	171.8	-30.2	0	0	0	0	116.6	F287 S493	F287-S527 WeakPolarHBondContact CE2-OG 3.25Å; S493-S527 PolarHBondContact OG-N 2.87Å; S493-S527 VanDerWaalsContact OG-N 3.1Å
528	V	94.3	Very high	96.7	Very high	13 Å²	13	19 Å²	19	8%	0.079	12%	0.122	C	C	.	.			trans	-91.4	122.6	177.5	-176.9	0	0	0	0	110.2	I118 V122 S493 M525 L530	I118-V528 HydrophobicContact CG1-CG1 4.3Å; V122-V528 HydrophobicContact CB-CG2 4.25Å; V122-V528 HydrophobicContact CG1-CG1 4.17Å; V122-V528 HydrophobicContact CG2-CG1 3.98Å; V122-V528 HydrophobicContact CG2-CG2 3.77Å; S493-V528 WeakPolarHBondContact CB-O 3.36Å; S493-V528 PolarHBondContact OG-N 2.57Å; M525-V528 HydrophobicContact CB-CG2 4.39Å; M525-V528 HydrophobicContact CE-CG2 3.92Å; V528-L530 HydrophobicContact CB-CG 4.47Å; V528-L530 HydrophobicContact CG1-CD2 3.57Å; V528-L530 HydrophobicContact CG1-CG 3.92Å; V528-L530 PolarHBondContact O-N 2.69Å
529	G	94.9	Very high	96.6	Very high	60 Å²	60	22.2 Å²	22.2	62%	0.619	14%	0.139	S	C	*	.			trans	-84.5	92.5	-179.5	0	0	0	0	0	112.6
530	L	97.1	Very high	96.5	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	15%	0.153	C	C	.	.			trans	-91.2	-17.9	-169.5	-64.1	170.4	0	0	0	115.7	I118 I127 V495 I521 C523 V528 S532 T533 A534	I118-L530 HydrophobicContact CG1-CD2 4.32Å; I127-L530 HydrophobicContact CD1-CD2 3.93Å; V495-L530 HydrophobicContact CB-CB 4.06Å; V495-L530 HydrophobicContact CG1-CB 3.51Å; I521-L530 HydrophobicContact CB-CD1 4.23Å; I521-L530 HydrophobicContact CG2-CD1 4.14Å; I521-L530 HydrophobicContact CG2-CD2 4.06Å; C523-L530 HydrophobicContact CB-CD1 4.18Å; V528-L530 HydrophobicContact CB-CG 4.47Å; V528-L530 HydrophobicContact CG1-CD2 3.57Å; V528-L530 HydrophobicContact CG1-CG 3.92Å; V528-L530 PolarHBondContact O-N 2.69Å; L530-S532 PolarHBondContact O-N 2.99Å; L530-T533 PolarHBondContact O-N 3.49Å; L530-T533 VanDerWaalsContact O-N 3.16Å; L530-A534 PolarHBondContact O-N 2.79Å
531	N	96.8	Very high	96.4	Very high	9 Å²	9	25.2 Å²	25.2	5%	0.048	15%	0.153	C	C	.	.	H	α-helix	trans	-60.3	-41	-171.4	-169.1	79.3	0	0	0	114.1	W454 Y482 S484 T486 V495 T533 A534 L535	W454-N531 HydrophobicContact CB-CB 4.31Å; W454-N531 HydrophobicContact CG-CB 4.22Å; Y482-N531 PolarHBondContact OH-ND2 2.82Å; S484-N531 PolarHBondContact OG-OD1 3.41Å; T486-N531 HydrophobicContact CG2-CB 3.81Å; V495-N531 HydrophobicContact CG2-CB 4.43Å; N531-T533 VanDerWaalsContact C-N 3.33Å; N531-T533 PolarHBondContact O-N 2.95Å; N531-A534 PolarHBondContact O-N 2.85Å; N531-L535 WeakPolarHBondContact O-CB 3.29Å; N531-L535 PolarHBondContact O-N 3.16Å
532	S	95.9	Very high	96.2	Very high	69 Å²	69	25.9 Å²	25.9	48%	0.483	16%	0.157	S	C	.	.	H	α-helix	trans	-65.1	-38.2	178.8	-174.1	0	0	0	0	111.8	L530 K536	L530-S532 PolarHBondContact O-N 2.99Å; S532-K536 VanDerWaalsContact O-CG 3.27Å; S532-K536 WeakPolarHBondContact O-CG 3.15Å; S532-K536 PolarHBondContact O-N 3.33Å; S532-K536 VanDerWaalsContact O-N 3.07Å
533	T	98.1	Very high	95.9	Very high	13 Å²	13	31.6 Å²	31.6	8%	0.08	18%	0.182	C	C	.	.	H	α-helix	trans	-66.6	-47.6	174.9	-51.3	0	0	0	0	110.8	L114 I118 I521 L530 N531 L535 K536 I537	L114-T533 HydrophobicContact CB-CG2 4.18Å; I118-T533 HydrophobicContact CG2-CG2 4.04Å; I521-T533 HydrophobicContact CD1-CG2 4.16Å; L530-T533 PolarHBondContact O-N 3.49Å; L530-T533 VanDerWaalsContact O-N 3.16Å; N531-T533 VanDerWaalsContact C-N 3.33Å; N531-T533 PolarHBondContact O-N 2.95Å; T533-L535 VanDerWaalsContact C-N 3.33Å; T533-L535 PolarHBondContact O-N 3.03Å; T533-K536 PolarHBondContact O-N 2.96Å; T533-I537 HydrophobicContact CG2-CD1 4.03Å; T533-I537 WeakPolarHBondContact O-CG1 3.5Å; T533-I537 PolarHBondContact O-N 3.17Å
534	A	98.6	Very high	95.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.6	-39.6	178	0	0	0	0	0	112.9	V495 L497 V519 I521 L530 N531 I537 A538	V495-A534 HydrophobicContact CG1-CB 3.62Å; V495-A534 HydrophobicContact CG2-CB 4.37Å; L497-A534 HydrophobicContact CB-CB 4.28Å; L497-A534 HydrophobicContact CD1-CB 4.46Å; V519-A534 HydrophobicContact CB-CB 4.3Å; V519-A534 HydrophobicContact CG1-CB 3.9Å; I521-A534 HydrophobicContact CD1-CB 3.91Å; I521-A534 HydrophobicContact CG1-CB 4.34Å; L530-A534 PolarHBondContact O-N 2.79Å; N531-A534 PolarHBondContact O-N 2.85Å; A534-I537 PolarHBondContact O-N 3.46Å; A534-A538 WeakPolarHBondContact O-CB 3.45Å; A534-A538 PolarHBondContact O-N 3.48Å
535	L	97.5	Very high	95.2	Very high	39 Å²	39	34.2 Å²	34.2	20%	0.204	19%	0.193	C	C	.	.	H	α-helix	trans	-67	-40.2	175.9	-179	60.6	0	0	0	112	Y482 L497 N531 T533 A538 L539	Y482-L535 HydrophobicContact CD1-CD1 4.06Å; Y482-L535 HydrophobicContact CE1-CD1 4.18Å; Y482-L535 HydrophobicContact CE1-CD2 3.9Å; Y482-L535 HydrophobicContact CG-CD1 4.42Å; L497-L535 HydrophobicContact CD1-CB 3.85Å; L497-L535 HydrophobicContact CD1-CD1 4.21Å; N531-L535 WeakPolarHBondContact O-CB 3.29Å; N531-L535 PolarHBondContact O-N 3.16Å; T533-L535 VanDerWaalsContact C-N 3.33Å; T533-L535 PolarHBondContact O-N 3.03Å; L535-A538 PolarHBondContact O-N 3.29Å; L535-L539 HydrophobicContact CD1-CD1 4.44Å; L535-L539 HydrophobicContact CD1-CG 4.47Å; L535-L539 HydrophobicContact CG-CD1 4.27Å; L535-L539 VanDerWaalsContact O-CG 3.28Å; L535-L539 WeakPolarHBondContact O-CG 3.43Å; L535-L539 PolarHBondContact O-N 3.33Å
536	K	97.7	Very high	94.3	Very high	102 Å²	102	38.1 Å²	38.1	44%	0.443	22%	0.221	S	C	.	.	H	α-helix	trans	-62	-48.7	174.4	-72.1	169.2	-174.5	177.3	0	111.2	L114 S532 T533 A538 L539 E540	L114-K536 HydrophobicContact CD1-CB 3.68Å; L114-K536 HydrophobicContact CD2-CD 4.13Å; S532-K536 VanDerWaalsContact O-CG 3.27Å; S532-K536 WeakPolarHBondContact O-CG 3.15Å; S532-K536 PolarHBondContact O-N 3.33Å; S532-K536 VanDerWaalsContact O-N 3.07Å; T533-K536 PolarHBondContact O-N 2.96Å; K536-A538 VanDerWaalsContact C-N 3.31Å; K536-A538 PolarHBondContact O-N 2.9Å; K536-L539 PolarHBondContact O-N 3.05Å; K536-L539 VanDerWaalsContact O-N 3.1Å; K536-E540 WeakPolarHBondContact O-CG 3.47Å; K536-E540 PolarHBondContact O-N 3.06Å
537	I	98.6	Very high	92.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-55.9	-46.8	175.2	-67.6	176.9	0	0	0	110.3	L114 V129 V131 W139 V519 I521 T533 A534 L539 E540 F541	L114-I537 HydrophobicContact CD1-CG1 4.1Å; V129-I537 HydrophobicContact CG2-CD1 4.27Å; V131-I537 HydrophobicContact CG2-CG2 3.66Å; W139-I537 HydrophobicContact CZ3-CD1 4.41Å; W139-I537 HydrophobicContact CZ3-CG2 4.17Å; V519-I537 HydrophobicContact CG1-CB 4.28Å; V519-I537 HydrophobicContact CG1-CG2 3.96Å; V519-I537 HydrophobicContact CG2-CB 4.43Å; V519-I537 HydrophobicContact CG2-CG2 3.92Å; I521-I537 HydrophobicContact CD1-CD1 4.13Å; T533-I537 HydrophobicContact CG2-CD1 4.03Å; T533-I537 WeakPolarHBondContact O-CG1 3.5Å; T533-I537 PolarHBondContact O-N 3.17Å; A534-I537 PolarHBondContact O-N 3.46Å; I537-L539 VanDerWaalsContact C-N 3.27Å; I537-L539 PolarHBondContact O-N 3.45Å; I537-E540 PolarHBondContact O-N 2.86Å; I537-F541 HydrophobicContact CG2-CD2 3.94Å; I537-F541 HydrophobicContact CG2-CE2 4.01Å; I537-F541 WeakPolarHBondContact O-CD2 3.2Å; I537-F541 PolarHBondContact O-N 3.19Å; I537-F541 VanDerWaalsContact O-N 3.07Å
538	A	98.3	Very high	93.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.7	-36.3	178.3	0	0	0	0	0	112.9	L497 L499 I517 V519 A534 L535 K536 D542	L497-A538 HydrophobicContact CD2-CB 3.79Å; L499-A538 HydrophobicContact CB-CB 4.22Å; L499-A538 HydrophobicContact CD2-CB 3.76Å; I517-A538 HydrophobicContact CB-CB 4.4Å; I517-A538 HydrophobicContact CG2-CB 4.28Å; V519-A538 HydrophobicContact CG2-CB 3.7Å; A534-A538 WeakPolarHBondContact O-CB 3.45Å; A534-A538 PolarHBondContact O-N 3.48Å; L535-A538 PolarHBondContact O-N 3.29Å; K536-A538 VanDerWaalsContact C-N 3.31Å; K536-A538 PolarHBondContact O-N 2.9Å; A538-D542 WeakPolarHBondContact O-CB 3.16Å; A538-D542 PolarHBondContact O-N 3.45Å
539	L	96.1	Very high	93	Very high	68 Å²	68	44.7 Å²	44.7	36%	0.356	25%	0.251	S	S	.	.	H	α-helix	trans	-74.2	-35.5	177.3	-68.6	168.8	0	0	0	113.1	L499 L535 K536 I537 D542 K543	L499-L539 HydrophobicContact CD2-CD2 4.14Å; L535-L539 HydrophobicContact CD1-CD1 4.44Å; L535-L539 HydrophobicContact CD1-CG 4.47Å; L535-L539 HydrophobicContact CG-CD1 4.27Å; L535-L539 VanDerWaalsContact O-CG 3.28Å; L535-L539 WeakPolarHBondContact O-CG 3.43Å; L535-L539 PolarHBondContact O-N 3.33Å; K536-L539 PolarHBondContact O-N 3.05Å; K536-L539 VanDerWaalsContact O-N 3.1Å; I537-L539 VanDerWaalsContact C-N 3.27Å; I537-L539 PolarHBondContact O-N 3.45Å; L539-D542 PolarHBondContact O-N 3Å; L539-K543 WeakPolarHBondContact O-CB 3.26Å; L539-K543 PolarHBondContact O-N 3.36Å
540	E	96.8	Very high	92.9	Very high	63 Å²	63	43.9 Å²	43.9	29%	0.294	23%	0.231	S	C	.	.	H	α-helix	trans	-62.8	-46.8	173.5	-66.6	-64.8	116	0	0	110.8	A107 S110 K536 I537 K543 D544	A107-E540 HydrophobicContact CB-CB 4.32Å; S110-E540 VanDerWaalsContact CB-OE2 3.26Å; S110-E540 WeakPolarHBondContact CB-OE2 3.25Å; S110-E540 VanDerWaalsContact OG-CD 3.28Å; S110-E540 PolarHBondContact OG-OE2 3.27Å; K536-E540 WeakPolarHBondContact O-CG 3.47Å; K536-E540 PolarHBondContact O-N 3.06Å; I537-E540 PolarHBondContact O-N 2.86Å; E540-K543 PolarHBondContact O-N 2.93Å; E540-D544 WeakPolarHBondContact O-CB 3.49Å; E540-D544 PolarHBondContact O-N 3Å
541	F	97.2	Very high	92.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-68.1	-36.1	176.8	-83.6	-94.2	0	0	0	113	F104 A107 I108 V131 V133 V138 W139 I517 I537 K543 D544 R545	F104-F541 HydrophobicContact CB-CD1 4.1Å; F104-F541 HydrophobicContact CB-CE1 3.75Å; F104-F541 AromaticContact CD1-CD1 3.9Å; F104-F541 HydrophobicContact CD1-CD1 3.9Å; F104-F541 HydrophobicContact CD1-CE1 4.41Å; F104-F541 HydrophobicContact CG-CD1 4.03Å; F104-F541 HydrophobicContact CG-CE1 4.1Å; A107-F541 HydrophobicContact CB-CB 4.42Å; A107-F541 HydrophobicContact CB-CD1 3.97Å; A107-F541 HydrophobicContact CB-CD2 3.83Å; A107-F541 HydrophobicContact CB-CE1 4.17Å; A107-F541 HydrophobicContact CB-CE2 4.04Å; A107-F541 HydrophobicContact CB-CG 3.81Å; A107-F541 HydrophobicContact CB-CZ 4.22Å; I108-F541 HydrophobicContact CG1-CE1 4.02Å; I108-F541 HydrophobicContact CG1-CZ 3.6Å; V131-F541 HydrophobicContact CB-CE1 4.41Å; V131-F541 HydrophobicContact CB-CE2 4.27Å; V131-F541 HydrophobicContact CB-CZ 4.18Å; V131-F541 HydrophobicContact CG1-CB 4.35Å; V131-F541 HydrophobicContact CG1-CD1 3.85Å; V131-F541 HydrophobicContact CG1-CD2 3.91Å; V131-F541 HydrophobicContact CG1-CE1 4.04Å; V131-F541 HydrophobicContact CG1-CE2 4.09Å; V131-F541 HydrophobicContact CG1-CG 3.77Å; V131-F541 HydrophobicContact CG1-CZ 4.14Å; V131-F541 HydrophobicContact CG2-CD2 4.34Å; V131-F541 HydrophobicContact CG2-CE2 3.96Å; V131-F541 HydrophobicContact CG2-CZ 4.27Å; V133-F541 HydrophobicContact CG2-CB 4.33Å; V133-F541 HydrophobicContact CG2-CD1 3.91Å; V138-F541 HydrophobicContact CG2-CD1 3.92Å; V138-F541 HydrophobicContact CG2-CE1 3.59Å; W139-F541 HydrophobicContact CB-CE1 4.33Å; W139-F541 HydrophobicContact CB-CZ 3.89Å; W139-F541 HydrophobicContact CD2-CZ 4.15Å; W139-F541 AromaticContact CE3-CE2 3.65Å; W139-F541 HydrophobicContact CE3-CE2 3.65Å; W139-F541 AromaticContact CE3-CZ 3.63Å; W139-F541 HydrophobicContact CE3-CZ 3.63Å; W139-F541 HydrophobicContact CG-CZ 4.31Å; W139-F541 HydrophobicContact CZ3-CE2 4.1Å; W139-F541 HydrophobicContact CZ3-CZ 4.48Å; I517-F541 HydrophobicContact CD1-CB 4.44Å; I517-F541 HydrophobicContact CG2-CB 3.92Å; I537-F541 HydrophobicContact CG2-CD2 3.94Å; I537-F541 HydrophobicContact CG2-CE2 4.01Å; I537-F541 WeakPolarHBondContact O-CD2 3.2Å; I537-F541 PolarHBondContact O-N 3.19Å; I537-F541 VanDerWaalsContact O-N 3.07Å; F541-K543 VanDerWaalsContact C-N 3.31Å; F541-K543 PolarHBondContact O-N 3.37Å; F541-D544 PolarHBondContact O-N 3.33Å; F541-R545 WeakPolarHBondContact O-CB 3.4Å; F541-R545 PolarHBondContact O-N 3.05Å
542	D	94.6	Very high	92.4	Very high	14 Å²	14	48.7 Å²	48.7	8%	0.075	26%	0.256	C	S	.	.	H	α-helix	trans	-69	-31.1	176.5	-165.3	53.9	0	0	0	112.8	R480 L499 I517 A538 L539 R545 S546	R480-D542 IonicContact CZ-OD2 3.87Å; R480-D542 IonicContact NH1-OD2 3.81Å; R480-D542 PolarHBondContact NH1-OD2 3.29Å; R480-D542 IonicContact NH2-OD2 3.25Å; R480-D542 PolarHBondContact NH2-OD2 2.64Å; L499-D542 HydrophobicContact CD2-CB 4.33Å; I517-D542 HydrophobicContact CD1-CB 4.2Å; I517-D542 HydrophobicContact CG1-CB 3.7Å; A538-D542 WeakPolarHBondContact O-CB 3.16Å; A538-D542 PolarHBondContact O-N 3.45Å; L539-D542 PolarHBondContact O-N 3Å; D542-R545 IonicContact OD1-CZ 2.87Å; D542-R545 IonicContact OD1-NE 3.44Å; D542-R545 PolarHBondContact OD1-NE 3.16Å; D542-R545 IonicContact OD1-NH2 2.7Å; D542-R545 PolarHBondContact OD1-NH2 2.95Å; D542-S546 PolarHBondContact O-N 3.49Å; D542-S546 PolarHBondContact O-OG 3.12Å
543	K	93	Very high	92.2	Very high	121 Å²	121	47.3 Å²	47.3	53%	0.526	24%	0.241	S	C	.	.	H	α-helix	trans	-67.5	-52.2	172	-177.5	-168.9	173.6	-166.7	0	110.9	L539 E540 F541 R545 S546 D547	L539-K543 WeakPolarHBondContact O-CB 3.26Å; L539-K543 PolarHBondContact O-N 3.36Å; E540-K543 PolarHBondContact O-N 2.93Å; F541-K543 VanDerWaalsContact C-N 3.31Å; F541-K543 PolarHBondContact O-N 3.37Å; K543-R545 PolarHBondContact O-N 3.03Å; K543-S546 WeakPolarHBondContact O-CB 3.36Å; K543-S546 PolarHBondContact O-N 3.26Å; K543-D547 PolarHBondContact O-N 3.11Å
544	D	92.6	Very high	91.8	Very high	15 Å²	15	49.8 Å²	49.8	8%	0.08	25%	0.252	C	S	.	.	H	α-helix	trans	-67.7	-15.2	-179.8	-147.5	28.5	0	0	0	112.3	F104 R106 A107 E540 F541	F104-D544 VanDerWaalsContact C-OD2 3.29Å; F104-D544 VanDerWaalsContact CA-OD2 3.31Å; F104-D544 WeakPolarHBondContact CA-OD2 3.37Å; F104-D544 HydrophobicContact CD1-CB 4.15Å; R106-D544 IonicContact CZ-OD1 2.7Å; R106-D544 IonicContact NE-OD1 3.31Å; R106-D544 PolarHBondContact NE-OD1 2.85Å; R106-D544 IonicContact NH2-OD1 3.09Å; R106-D544 PolarHBondContact NH2-OD1 2.73Å; A107-D544 HydrophobicContact CB-CB 3.72Å; A107-D544 VanDerWaalsContact CB-OD2 3.31Å; A107-D544 WeakPolarHBondContact CB-OD2 3.45Å; A107-D544 PolarHBondContact N-OD2 3.45Å; E540-D544 WeakPolarHBondContact O-CB 3.49Å; E540-D544 PolarHBondContact O-N 3Å; F541-D544 PolarHBondContact O-N 3.33Å
545	R	88.8	Confident	91.3	Very high	39 Å²	39	53.6 Å²	53.6	15%	0.147	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-19.2	169.2	-175.3	-178.9	77.8	105.8	12.8	114	F104 V133 D134 E501 F541 D542 K543	F104-R545 HydrophobicContact CE1-CB 3.97Å; F104-R545 HydrophobicContact CZ-CB 4.49Å; V133-R545 HydrophobicContact CG1-CB 4.48Å; V133-R545 HydrophobicContact CG1-CG 3.94Å; D134-R545 IonicContact OD1-CZ 2.62Å; D134-R545 IonicContact OD1-NH1 3.77Å; D134-R545 PolarHBondContact OD1-NH1 2.9Å; D134-R545 IonicContact OD2-NH1 3.52Å; E501-R545 IonicContact OE2-CZ 3.18Å; E501-R545 IonicContact OE2-NH1 2.67Å; E501-R545 PolarHBondContact OE2-NH1 3.27Å; E501-R545 IonicContact OE2-NH2 2.67Å; F541-R545 WeakPolarHBondContact O-CB 3.4Å; F541-R545 PolarHBondContact O-N 3.05Å; D542-R545 IonicContact OD1-CZ 2.87Å; D542-R545 IonicContact OD1-NE 3.44Å; D542-R545 PolarHBondContact OD1-NE 3.16Å; D542-R545 IonicContact OD1-NH2 2.7Å; D542-R545 PolarHBondContact OD1-NH2 2.95Å; K543-R545 PolarHBondContact O-N 3.03Å
546	S	76.4	Confident	90.8	Very high	88 Å²	88	54.8 Å²	54.8	62%	0.615	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-18.4	-176	-56.2	0	0	0	0	113.2	D542 K543	D542-S546 PolarHBondContact O-N 3.49Å; D542-S546 PolarHBondContact O-OG 3.12Å; K543-S546 WeakPolarHBondContact O-CB 3.36Å; K543-S546 PolarHBondContact O-N 3.26Å
547	D	59.2	Low	90.1	Very high	148 Å²	148	50.5 Å²	50.5	79%	0.791	26%	0.262	S	S	*	.			trans	-83	0	171	-72.4	-3.5	0	0	0	111.1	R106 K543	R106-D547 IonicContact CZ-OD2 2.67Å; R106-D547 IonicContact NH1-OD2 3.4Å; R106-D547 PolarHBondContact NH1-OD2 2.7Å; R106-D547 IonicContact NH2-OD2 3.56Å; R106-D547 PolarHBondContact NH2-OD2 3.37Å; K543-D547 PolarHBondContact O-N 3.11Å

Retrieved 547 of 547 residues in 535.2 ms (Link to these results)

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