A0A061I5L8_CRIGR Loading...

Long-chain-fatty-acid--CoA ligase ACSBG1

Catalyzes the conversion of fatty acids such as long-chain and very long-chain fatty acids to their active form acyl-CoAs for both synthesis of cellular lipids, and degradation via beta-oxidation. Can activate diverse saturated, monosaturated and polyunsaturated fatty acids.

AlphaFold DB , UniProt , Accession A0A061I5L8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 719 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	33.1	Very low	28.4	Very low	244 Å²	244	148.3 Å²	148.3	100%	1.202	84%	0.84	S	S	*	*				0	114.8	0	-77.1	-179.4	169.7	0	0	108.9
2	P	41.7	Very low	28.1	Very low	127 Å²	127	150.3 Å²	150.3	83%	0.825	85%	0.845	S	S	*	*			trans	-112.4	157.2	170	37.9	-28.2	0	0	0	112.5
3	R	28.8	Very low	27.8	Very low	234 Å²	234	146.1 Å²	146.1	88%	0.883	83%	0.832	S	S	*	*			trans	-148	121.3	155.9	-74.2	-170.1	174.4	174.5	-2.7	105.8
4	S	29.6	Very low	27.6	Very low	109 Å²	109	152.6 Å²	152.6	76%	0.762	84%	0.837	S	S	*	*				56.6	130.7	63.7	77.6	0	0	0	0	111.9
5	S	27.7	Very low	27.4	Very low	117 Å²	117	152.3 Å²	152.3	82%	0.818	83%	0.833	S	S	*	*			cis	-159	165.7	40.5	50.6	0	0	0	0	114.7
6	E	28.7	Very low	27.3	Very low	191 Å²	191	148.8 Å²	148.8	89%	0.893	82%	0.824	S	S	*	*			trans	-80.1	160.3	170.5	-56.9	160.1	111.7	0	0	113.6
7	A	27.1	Very low	27.1	Very low	102 Å²	102	149.4 Å²	149.4	84%	0.843	83%	0.825	S	S	*	*			trans	163.6	141.1	142.4	0	0	0	0	0	108.4
8	G	23.3	Very low	26.9	Very low	66 Å²	66	151.3 Å²	151.3	68%	0.68	83%	0.83	S	S	*	*			cis	108.9	96.8	5.1	0	0	0	0	0	112.4
9	Y	25.4	Very low	27.8	Very low	226 Å²	226	149.5 Å²	149.5	89%	0.886	83%	0.826	S	S	*	*			trans	163.1	132.5	131.4	-99.2	-78.2	0	0	0	115.9
10	C	23.7	Very low	27.8	Very low	100 Å²	100	149 Å²	149	68%	0.676	82%	0.822	S	S	*	*			trans	22.8	127.2	149.9	-72.7	0	0	0	0	125.2
11	C	23.6	Very low	27.7	Very low	115 Å²	115	145.6 Å²	145.6	78%	0.777	81%	0.809	S	S	*	*				41.6	130.2	115.8	-51.6	0	0	0	0	121.5
12	L	24.4	Very low	27.4	Very low	172 Å²	172	145.4 Å²	145.4	90%	0.901	80%	0.795	S	S	*	*				-162.8	149.4	113.7	-106.3	165	0	0	0	112.6
13	S	24.4	Very low	26.7	Very low	96 Å²	96	146.7 Å²	146.7	67%	0.671	80%	0.795	S	S	*	*			trans	-91.1	158.6	-179.8	49.5	0	0	0	0	112.8
14	R	24.8	Very low	26.6	Very low	238 Å²	238	141.7 Å²	141.7	90%	0.898	79%	0.79	S	S	*	*				-172.6	151.1	124.1	-106.8	170.2	-179.3	179.5	0.2	114.8
15	D	25.1	Very low	26.3	Very low	147 Å²	147	144 Å²	144	79%	0.786	79%	0.788	S	S	*	*			trans	-62.8	167	174	-42.2	-88.9	0	0	0	111.6
16	S	25.2	Very low	26.2	Very low	97 Å²	97	144.8 Å²	144.8	68%	0.678	78%	0.779	S	S	*	*				178.5	149.6	66.5	54.1	0	0	0	0	115.5
17	N	24.2	Very low	26.1	Very low	159 Å²	159	142.7 Å²	142.7	85%	0.85	77%	0.77	S	S	*	*			trans	71.6	118.9	143	-63.4	-8.4	0	0	0	123.9
18	M	24.4	Very low	26	Very low	183 Å²	183	145 Å²	145	90%	0.901	77%	0.767	S	S	*	*			trans	-35.6	174.5	139.7	-79.5	-172.7	-177.9	0	0	116.3
19	P	42.3	Very low	26	Very low	117 Å²	117	146 Å²	146	76%	0.76	77%	0.77	S	S	*	*			cis	-125.6	-155.7	14.7	33.6	-9	0	0	0	112.5
20	D	28.2	Very low	25.9	Very low	140 Å²	140	143 Å²	143	75%	0.749	77%	0.769	S	S	*	*			cis	-158.2	175	14.9	-163.5	35.4	0	0	0	116.3
21	S	27	Very low	26	Very low	78 Å²	78	145.1 Å²	145.1	55%	0.545	78%	0.778	S	S	.	*			trans	-34	155.7	172.3	70	0	0	0	0	122.7
22	R	26.7	Very low	26	Very low	240 Å²	240	142.9 Å²	142.9	91%	0.906	78%	0.775	S	S	*	*				-170.5	125	121.1	-101.5	170.7	-156.5	-161.7	5	113.4
23	D	26.6	Very low	26	Very low	154 Å²	154	141.3 Å²	141.3	82%	0.824	77%	0.773	S	S	*	*			trans	-75.6	165.7	165.4	-72.1	-65	0	0	0	112.7
24	V	26.4	Very low	26	Very low	129 Å²	129	143.3 Å²	143.3	78%	0.782	78%	0.781	S	S	*	*				178.4	113.4	122.5	153.6	0	0	0	0	110.2
25	Q	24.5	Very low	26.1	Very low	157 Å²	157	140.5 Å²	140.5	73%	0.734	78%	0.778	S	S	*	*				23.8	152.8	129.7	-59.3	-179.9	-14.4	0	0	120.1
26	Q	25.3	Very low	26	Very low	134 Å²	134	140.7 Å²	140.7	63%	0.626	78%	0.779	S	S	*	*			cis	-171.1	159.5	28.1	-141.9	163.7	-4	0	0	113.3
27	Q	25.2	Very low	26.2	Very low	147 Å²	147	143.2 Å²	143.2	69%	0.687	79%	0.785	S	S	*	*			trans	60.9	151.6	146.4	-85.3	153.3	4.3	0	0	121.4
28	D	24.7	Very low	26.4	Very low	149 Å²	149	139.7 Å²	139.7	80%	0.797	77%	0.773	S	S	*	*			cis	-173.3	154.9	-32.1	-117.5	-34.3	0	0	0	108.6
29	A	24.6	Very low	26.5	Very low	89 Å²	89	140.2 Å²	140.2	74%	0.736	77%	0.773	S	S	*	*			trans	140.2	98.8	149.7	0	0	0	0	0	115.9
30	N	22.9	Very low	26.1	Very low	161 Å²	161	139.1 Å²	139.1	86%	0.861	77%	0.765	S	S	*	*				18.5	136.4	117.1	-86.2	-11.7	0	0	0	118
31	V	25.1	Very low	26.4	Very low	145 Å²	145	136.3 Å²	136.3	88%	0.879	76%	0.756	S	S	*	*			cis	-157	154.1	32.6	178.4	0	0	0	0	109.4
32	G	23.8	Very low	27.2	Very low	69 Å²	69	134.1 Å²	134.1	71%	0.711	74%	0.741	S	S	*	*			trans	157.3	77.1	156.5	0	0	0	0	0	117.2
33	T	25	Very low	28.1	Very low	139 Å²	139	125.7 Å²	125.7	85%	0.853	71%	0.713	S	S	*	*			trans	-74.6	123.5	172	39.3	0	0	0	0	113
34	T	25.1	Very low	28.9	Very low	137 Å²	137	121.7 Å²	121.7	84%	0.84	69%	0.691	S	S	*	*			trans	-135.3	118	150.9	32.1	0	0	0	0	108.6	D36	T34-D36 PolarHBondContact O-N 3.13Å
35	Q	25.4	Very low	29.4	Very low	179 Å²	179	120.4 Å²	120.4	84%	0.836	68%	0.68	S	S	*	*			trans	-80.2	103.3	174.2	-74.5	177.5	-57.2	0	0	109.4	N37	Q35-N37 VanDerWaalsContact C-N 3.33Å; Q35-N37 PolarHBondContact O-N 3.11Å
36	D	24.2	Very low	30.1	Very low	152 Å²	152	116.3 Å²	116.3	81%	0.813	68%	0.679	S	S	*	*			trans	-77.6	85.9	167.7	-115.1	-26	0	0	0	109.7	T34 S38	T34-D36 PolarHBondContact O-N 3.13Å; D36-S38 VanDerWaalsContact C-N 3.29Å; D36-S38 PolarHBondContact O-N 3Å
37	N	28.5	Very low	30.2	Very low	150 Å²	150	116.9 Å²	116.9	80%	0.802	68%	0.682	S	S	*	*			trans	-81.7	76.8	174.3	-117.4	12.1	0	0	0	109.7	Q35	Q35-N37 VanDerWaalsContact C-N 3.33Å; Q35-N37 PolarHBondContact O-N 3.11Å
38	S	28.5	Very low	30.4	Very low	84 Å²	84	116.8 Å²	116.8	59%	0.587	69%	0.691	S	S	*	*			trans	-127.9	61.3	171.6	57.6	0	0	0	0	111.9	D36 T40	D36-S38 VanDerWaalsContact C-N 3.29Å; D36-S38 PolarHBondContact O-N 3Å; S38-T40 PolarHBondContact O-N 3.02Å
39	Q	27.1	Very low	30.6	Very low	195 Å²	195	115.4 Å²	115.4	91%	0.911	68%	0.683	S	S	*	*			trans	-69.3	83.6	165	-76.2	-172.9	-28	0	0	110.2
40	T	34	Very low	30.6	Very low	94 Å²	94	115.6 Å²	115.6	58%	0.577	68%	0.679	S	S	*	*			trans	-79.1	110.7	154.7	38	0	0	0	0	107.4	S38 R122	S38-T40 PolarHBondContact O-N 3.02Å; T40-R122 PolarHBondContact OG1-NH2 3.49Å
41	S	35	Very low	30.8	Very low	80 Å²	80	117.8 Å²	117.8	56%	0.559	68%	0.681	S	S	*	*			trans	-55.6	144.9	176	-174.5	0	0	0	0	110.5	D45	S41-D45 PolarHBondContact OG-OD2 3.22Å; S41-D45 VanDerWaalsContact OG-OD2 3.04Å
42	S	42.6	Very low	30.9	Very low	33 Å²	33	118.9 Å²	118.9	23%	0.231	68%	0.677	C	S	.	*			trans	-80.8	148.5	164.1	89.4	0	0	0	0	108.9	I44 D45	S42-I44 PolarHBondContact O-N 2.77Å; S42-I44 PolarHBondContact OG-N 3.34Å; S42-D45 WeakPolarHBondContact CB-OD1 3.08Å; S42-D45 PolarHBondContact N-OD2 2.81Å; S42-D45 PolarHBondContact O-N 3.03Å; S42-D45 PolarHBondContact OG-N 2.72Å; S42-D45 PolarHBondContact OG-OD1 3.18Å
43	L	46	Very low	30.9	Very low	62 Å²	62	119.4 Å²	119.4	33%	0.325	67%	0.67	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.8	-3.7	172.6	-72	170	0	0	0	112.8	F119 M248	L43-F119 HydrophobicContact CD1-CZ 4.44Å; L43-M248 HydrophobicContact CD2-CE 4.04Å
44	I	42.3	Very low	31.1	Very low	71 Å²	71	118 Å²	118	36%	0.364	66%	0.663	S	S	.	*	T	Hydrogen-bonded Turn	trans	-121.6	16.2	-170.3	-40.2	-172.4	0	0	0	110.9	S42 G46 E126	S42-I44 PolarHBondContact O-N 2.77Å; S42-I44 PolarHBondContact OG-N 3.34Å; I44-G46 PolarHBondContact O-N 3.33Å; I44-E126 HydrophobicContact CD1-CB 3.85Å; I44-E126 HydrophobicContact CD1-CG 4.04Å; I44-E126 VanDerWaalsContact CD1-OE2 3.32Å; I44-E126 WeakPolarHBondContact CD1-OE2 3.44Å
45	D	38	Very low	31.2	Very low	102 Å²	102	116.4 Å²	116.4	55%	0.545	66%	0.657	S	S	.	*			trans	-69.6	86	-179.3	-73.5	-18.8	0	0	0	112.8	S41 S42 Q47	S41-D45 PolarHBondContact OG-OD2 3.22Å; S41-D45 VanDerWaalsContact OG-OD2 3.04Å; S42-D45 WeakPolarHBondContact CB-OD1 3.08Å; S42-D45 PolarHBondContact N-OD2 2.81Å; S42-D45 PolarHBondContact O-N 3.03Å; S42-D45 PolarHBondContact OG-N 2.72Å; S42-D45 PolarHBondContact OG-OD1 3.18Å; D45-Q47 PolarHBondContact O-N 2.82Å
46	G	38	Very low	31.3	Very low	70 Å²	70	116.6 Å²	116.6	72%	0.722	66%	0.658	S	S	*	*			trans	78	22.8	134.4	0	0	0	0	0	119.6	I44 T48	I44-G46 PolarHBondContact O-N 3.33Å; G46-T48 PolarHBondContact O-N 3.21Å
47	Q	29	Very low	31.5	Very low	147 Å²	147	112.8 Å²	112.8	69%	0.687	65%	0.654	S	S	*	*			trans	-93	86.3	167.9	-80	-164.6	-15	0	0	113	D45 L49	D45-Q47 PolarHBondContact O-N 2.82Å; Q47-L49 HydrophobicContact CB-CG 4.35Å; Q47-L49 PolarHBondContact O-N 2.72Å
48	T	28.1	Very low	31.6	Very low	144 Å²	144	112.3 Å²	112.3	88%	0.883	65%	0.651	S	S	*	*			trans	-73.4	78	161.7	-38.1	0	0	0	0	109.2	G46	G46-T48 PolarHBondContact O-N 3.21Å
49	L	29.1	Very low	31.5	Very low	120 Å²	120	117.3 Å²	117.3	63%	0.628	67%	0.665	S	S	*	*			trans	-67.9	133.3	175.8	-76.1	161.9	0	0	0	110.1	Q47	Q47-L49 HydrophobicContact CB-CG 4.35Å; Q47-L49 PolarHBondContact O-N 2.72Å
50	S	25.3	Very low	31.8	Very low	93 Å²	93	114.7 Å²	114.7	65%	0.65	66%	0.657	S	S	*	*			trans	-57.8	145.8	175.2	40.5	0	0	0	0	111.1	E52	S50-E52 PolarHBondContact O-N 3.43Å
51	K	26.2	Very low	31.5	Very low	207 Å²	207	115.2 Å²	115.2	90%	0.9	66%	0.664	S	S	*	*			trans	-68.5	67.8	169	-73.4	-171.6	173	-171.9	0	111.3	S53	K51-S53 VanDerWaalsContact C-N 3.33Å; K51-S53 PolarHBondContact O-N 2.97Å
52	E	27.2	Very low	31.2	Very low	168 Å²	168	115.3 Å²	115.3	79%	0.785	67%	0.67	S	S	*	*			trans	-79.2	94.9	147.9	-69.8	-167.1	158.6	0	0	106.2	S50	S50-E52 PolarHBondContact O-N 3.43Å
53	S	24	Very low	30.7	Very low	81 Å²	81	119.6 Å²	119.6	57%	0.566	70%	0.697	S	S	*	*			trans	-50.6	135.4	167.6	-53.2	0	0	0	0	108.5	K51 S55	K51-S53 VanDerWaalsContact C-N 3.33Å; K51-S53 PolarHBondContact O-N 2.97Å; S53-S55 PolarHBondContact O-N 2.82Å; S53-S55 PolarHBondContact O-OG 2.78Å
54	P	30.6	Very low	30	Very low	109 Å²	109	125.3 Å²	125.3	71%	0.708	72%	0.722	S	S	*	*			trans	-71.9	66.6	167.9	30.5	-33.6	0	0	0	109.4	H56	P54-H56 VanDerWaalsContact C-N 3.29Å
55	S	25.5	Very low	29.4	Very low	103 Å²	103	131.7 Å²	131.7	72%	0.72	75%	0.747	S	S	*	*			trans	-92.5	12.7	175.5	56	0	0	0	0	112.4	S53 G57	S53-S55 PolarHBondContact O-N 2.82Å; S53-S55 PolarHBondContact O-OG 2.78Å; S55-G57 VanDerWaalsContact C-N 3.3Å; S55-G57 PolarHBondContact O-N 3.41Å; S55-G57 VanDerWaalsContact O-N 3.12Å
56	H	28.8	Very low	29	Very low	184 Å²	184	131.3 Å²	131.3	85%	0.852	76%	0.758	S	S	*	*	S	Bend	trans	-73.2	94	151.5	-79.2	-42	0	0	0	108.3	P54 L58	P54-H56 VanDerWaalsContact C-N 3.29Å; H56-L58 PolarHBondContact O-N 2.89Å
57	G	28.1	Very low	28.6	Very low	71 Å²	71	132.4 Å²	132.4	73%	0.732	76%	0.755	S	S	*	*			trans	-56.2	103.3	165.6	0	0	0	0	0	109.3	S55 E59	S55-G57 VanDerWaalsContact C-N 3.3Å; S55-G57 PolarHBondContact O-N 3.41Å; S55-G57 VanDerWaalsContact O-N 3.12Å; G57-E59 PolarHBondContact O-N 3.29Å
58	L	30.4	Very low	28.8	Very low	141 Å²	141	131.5 Å²	131.5	74%	0.738	76%	0.761	S	S	*	*			trans	-61.6	99.1	149.7	-86.9	154.4	0	0	0	105.6	H56 L60	H56-L58 PolarHBondContact O-N 2.89Å; L58-L60 PolarHBondContact O-N 3.07Å
59	E	26.8	Very low	29.2	Very low	189 Å²	189	129.2 Å²	129.2	88%	0.883	75%	0.752	S	S	*	*			trans	-59.1	91.4	154.2	-76.9	-170.7	142	0	0	106.3	G57 S61	G57-E59 PolarHBondContact O-N 3.29Å; E59-S61 VanDerWaalsContact C-N 3.26Å; E59-S61 PolarHBondContact O-N 3.31Å
60	L	33.2	Very low	29.5	Very low	140 Å²	140	131.3 Å²	131.3	73%	0.733	76%	0.763	S	S	*	*			trans	-57	98.9	163.6	-84.1	160.7	0	0	0	105.9	L58 A62	L58-L60 PolarHBondContact O-N 3.07Å; L60-A62 PolarHBondContact O-N 3.24Å; L60-A62 VanDerWaalsContact O-N 3.1Å
61	S	28.3	Very low	30.2	Very low	104 Å²	104	131.2 Å²	131.2	73%	0.727	77%	0.768	S	S	*	*			trans	-51.4	122.1	178.2	45.8	0	0	0	0	107.9	E59	E59-S61 VanDerWaalsContact C-N 3.26Å; E59-S61 PolarHBondContact O-N 3.31Å
62	A	28	Very low	31.1	Very low	83 Å²	83	126.4 Å²	126.4	69%	0.686	76%	0.76	S	S	*	*			trans	-50.8	134.5	171.5	0	0	0	0	0	107.4	L60 E64	L60-A62 PolarHBondContact O-N 3.24Å; L60-A62 VanDerWaalsContact O-N 3.1Å; A62-E64 PolarHBondContact O-N 3.34Å
63	P	31.6	Very low	32.9	Very low	123 Å²	123	126.2 Å²	126.2	80%	0.799	76%	0.759	S	S	*	*			trans	-54.5	115.2	-168.3	20.6	-32.9	0	0	0	109.2	K65	P63-K65 PolarHBondContact O-N 3.39Å
64	E	30.7	Very low	35.6	Very low	182 Å²	182	125.7 Å²	125.7	85%	0.85	75%	0.748	S	S	*	*			trans	-51.8	131.2	172.8	-87.4	-167.4	133.7	0	0	107.3	A62 A66	A62-E64 PolarHBondContact O-N 3.34Å; E64-A66 PolarHBondContact O-N 2.71Å
65	K	30.2	Very low	38.5	Very low	204 Å²	204	123.2 Å²	123.2	89%	0.887	74%	0.737	S	S	*	*			trans	-54	106.7	180	-77.6	179.8	175.6	177.1	0	108.1	P63 S67	P63-K65 PolarHBondContact O-N 3.39Å; K65-S67 PolarHBondContact O-N 2.65Å
66	A	31.1	Very low	41.8	Very low	95 Å²	95	119.6 Å²	119.6	79%	0.785	71%	0.709	S	S	*	*			trans	-50.6	118	177.3	0	0	0	0	0	108.1	E64	E64-A66 PolarHBondContact O-N 2.71Å
67	S	28.5	Very low	45.1	Very low	92 Å²	92	114 Å²	114	64%	0.643	68%	0.68	S	S	*	*			trans	-61.5	135.7	174.1	50.9	0	0	0	0	107.8	K65 S69	K65-S67 PolarHBondContact O-N 2.65Å; S67-S69 PolarHBondContact O-N 3.11Å
68	P	33.3	Very low	48.4	Very low	128 Å²	128	111.7 Å²	111.7	83%	0.831	65%	0.653	S	S	*	*			trans	-77.5	69.2	-174.8	31.4	-35.5	0	0	0	110.5	N70	P68-N70 PolarHBondContact O-N 3.1Å; P68-N70 VanDerWaalsContact O-N 3.13Å
69	S	37.3	Very low	51.6	Low	97 Å²	97	106 Å²	106	68%	0.678	62%	0.623	S	S	*	*			trans	-82.6	83.1	176.5	60	0	0	0	0	110.5	S67 A71	S67-S69 PolarHBondContact O-N 3.11Å; S69-A71 VanDerWaalsContact C-N 3.31Å; S69-A71 PolarHBondContact O-N 2.93Å
70	N	35.3	Very low	54.9	Low	164 Å²	164	103.8 Å²	103.8	88%	0.877	61%	0.607	S	S	*	*			trans	39.7	49.2	162.7	-67.6	-9.3	0	0	0	116	P68 S72	P68-N70 PolarHBondContact O-N 3.1Å; P68-N70 VanDerWaalsContact O-N 3.13Å; N70-S72 PolarHBondContact O-N 2.85Å; N70-S72 VanDerWaalsContact O-N 3.11Å
71	A	38.8	Very low	57.9	Low	90 Å²	90	97.7 Å²	97.7	74%	0.744	58%	0.577	S	S	*	*			trans	-66.4	110.2	166.4	0	0	0	0	0	108.5	S69 E73	S69-A71 VanDerWaalsContact C-N 3.31Å; S69-A71 PolarHBondContact O-N 2.93Å; A71-E73 PolarHBondContact O-N 3.17Å
72	S	45.7	Very low	61.2	Low	106 Å²	106	96.4 Å²	96.4	74%	0.741	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-53.8	129.7	154.8	55.3	0	0	0	0	107	N70 E74	N70-S72 PolarHBondContact O-N 2.85Å; N70-S72 VanDerWaalsContact O-N 3.11Å; S72-E74 PolarHBondContact O-N 3.19Å
73	E	64.6	Low	64.4	Low	164 Å²	164	93 Å²	93	77%	0.766	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-48.9	118.8	-177.1	-65.8	-166.2	150	0	0	110.2	A71 A75 R86	A71-E73 PolarHBondContact O-N 3.17Å; E73-A75 PolarHBondContact O-N 3.02Å; E73-R86 IonicContact OE2-NH1 2.76Å
74	E	80.4	Confident	67.4	Low	71 Å²	71	91.1 Å²	91.1	33%	0.332	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-57.5	134	-179.4	-69.5	-175.4	154	0	0	109	S72 R86 N269	S72-E74 PolarHBondContact O-N 3.19Å; E74-R86 HydrophobicContact CB-CB 3.97Å; E74-R86 WeakPolarHBondContact O-CB 3.3Å; E74-N269 PolarHBondContact OE1-ND2 2.93Å; E74-N269 PolarHBondContact OE2-ND2 3.23Å
75	A	92.7	Very high	70.5	Confident	56 Å²	56	82.7 Å²	82.7	46%	0.463	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-67.7	154.7	178.9	0	0	0	0	0	110.9	E73 W77 V85 R86	E73-A75 PolarHBondContact O-N 3.02Å; A75-W77 VanDerWaalsContact CB-O 3.3Å; A75-W77 WeakPolarHBondContact CB-O 3.14Å; A75-W77 PolarHBondContact O-N 3.42Å; A75-V85 CarbonylContact O-C 3.52Å; A75-V85 VanDerWaalsContact O-CA 3.25Å; A75-V85 WeakPolarHBondContact O-CA 3.49Å; A75-R86 PolarHBondContact O-N 3.42Å
76	L	94.4	Very high	73.6	Confident	28 Å²	28	78 Å²	78	15%	0.147	45%	0.449	C	S	.	.	S	Bend	trans	-71	-8.2	175.7	-70.3	175.1	0	0	0	113.5	R86 R88	L76-R86 HydrophobicContact CD2-CB 4.23Å; L76-R86 HydrophobicContact CD2-CG 4.26Å; L76-R88 HydrophobicContact CD2-CG 4.12Å; L76-R88 PolarHBondContact O-NH1 3.41Å; L76-R88 PolarHBondContact O-NH2 2.84Å
77	W	96.9	Very high	76.6	Confident	65 Å²	65	75.2 Å²	75.2	25%	0.246	42%	0.421	C	S	.	.			trans	-151.2	161.9	178.3	62	-101	0	0	0	111	A75 T79 M522 E528 T531 C532 I535	A75-W77 VanDerWaalsContact CB-O 3.3Å; A75-W77 WeakPolarHBondContact CB-O 3.14Å; A75-W77 PolarHBondContact O-N 3.42Å; W77-T79 HydrophobicContact CE3-CG2 4.42Å; W77-T79 HydrophobicContact CZ3-CG2 4.19Å; W77-M522 CarbonylContact C-O 3.4Å; W77-M522 WeakPolarHBondContact CA-O 3.41Å; W77-M522 WeakPolarHBondContact CB-O 3.43Å; W77-E528 HydrophobicContact CH2-CG 3.87Å; W77-E528 HydrophobicContact CZ3-CG 4.03Å; W77-T531 HydrophobicContact CB-CG2 4.06Å; W77-T531 HydrophobicContact CD2-CG2 3.75Å; W77-T531 HydrophobicContact CE3-CG2 3.58Å; W77-T531 HydrophobicContact CG-CG2 3.98Å; W77-T531 HydrophobicContact CZ3-CG2 4.31Å; W77-C532 VanDerWaalsContact CZ2-SG 3.58Å; W77-I535 HydrophobicContact CB-CD1 3.6Å; W77-I535 HydrophobicContact CG-CD1 4.08Å
78	T	97.3	Very high	79.6	Confident	24 Å²	24	71.4 Å²	71.4	15%	0.147	39%	0.392	C	S	.	.			trans	-152.6	158.8	172.1	-170.4	0	0	0	0	109.2	R80 V85 M288 M522 G523	T78-R80 PolarHBondContact OG1-N 3.47Å; T78-V85 HydrophobicContact CG2-CG1 3.88Å; T78-M288 HydrophobicContact CG2-CE 4.17Å; T78-M288 WeakPolarHBondContact O-CE 3.42Å; T78-M522 HydrophobicContact CG2-CB 4.39Å; T78-M522 HydrophobicContact CG2-CE 3.86Å; T78-M522 PolarHBondContact N-O 3.18Å; T78-M522 CarbonylContact O-C 3.45Å; T78-G523 WeakPolarHBondContact O-CA 3.43Å
79	T	97.6	Very high	82.2	Confident	20 Å²	20	69.7 Å²	69.7	12%	0.123	38%	0.376	C	S	.	.	S	Bend	trans	-108.8	4.5	174.2	56.5	0	0	0	0	113.1	W77 M288 Y524 N526 E528 T531	W77-T79 HydrophobicContact CE3-CG2 4.42Å; W77-T79 HydrophobicContact CZ3-CG2 4.19Å; T79-M288 VanDerWaalsContact C-CE 3.45Å; T79-Y524 WeakPolarHBondContact CB-O 3.23Å; T79-Y524 VanDerWaalsContact CG2-O 3.3Å; T79-Y524 WeakPolarHBondContact CG2-O 3.35Å; T79-N526 PolarHBondContact O-N 3.37Å; T79-E528 HydrophobicContact CG2-CB 4.12Å; T79-T531 HydrophobicContact CG2-CG2 4.48Å; T79-T531 WeakPolarHBondContact CG2-OG1 3.25Å
80	R	97.7	Very high	84.2	Confident	144 Å²	144	67.2 Å²	67.2	54%	0.543	35%	0.353	S	S	.	.			trans	-98.6	127.9	-178.5	-72.1	178.2	59.1	164	-0.3	112.1	T78 D82 G83	T78-R80 PolarHBondContact OG1-N 3.47Å; R80-D82 VanDerWaalsContact C-N 3.25Å; R80-D82 WeakPolarHBondContact CB-OD1 3.42Å; R80-D82 IonicContact CZ-OD1 3.46Å; R80-D82 IonicContact CZ-OD2 3.73Å; R80-D82 IonicContact NE-OD1 3.93Å; R80-D82 PolarHBondContact NE-OD1 3.1Å; R80-D82 IonicContact NE-OD2 3.57Å; R80-D82 VanDerWaalsContact NH2-CG 3.33Å; R80-D82 IonicContact NH2-OD1 3.18Å; R80-D82 PolarHBondContact NH2-OD1 2.82Å; R80-D82 IonicContact NH2-OD2 2.72Å; R80-D82 PolarHBondContact NH2-OD2 3.03Å; R80-D82 PolarHBondContact O-N 3.2Å; R80-G83 WeakPolarHBondContact O-CA 3.46Å; R80-G83 PolarHBondContact O-N 3.16Å
81	A	96.4	Very high	86.2	Confident	11 Å²	11	64.9 Å²	64.9	9%	0.091	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-33.3	173.9	0	0	0	0	0	114	G83 I178 L525	A81-G83 VanDerWaalsContact C-N 3.32Å; A81-I178 HydrophobicContact CB-CD1 3.76Å; A81-L525 HydrophobicContact CB-CD1 3.83Å
82	D	96.1	Very high	88	Confident	77 Å²	77	65.6 Å²	65.6	41%	0.412	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-0.4	176.6	70.5	-31.6	0	0	0	113.5	R80 A152	R80-D82 VanDerWaalsContact C-N 3.25Å; R80-D82 WeakPolarHBondContact CB-OD1 3.42Å; R80-D82 IonicContact CZ-OD1 3.46Å; R80-D82 IonicContact CZ-OD2 3.73Å; R80-D82 IonicContact NE-OD1 3.93Å; R80-D82 PolarHBondContact NE-OD1 3.1Å; R80-D82 IonicContact NE-OD2 3.57Å; R80-D82 VanDerWaalsContact NH2-CG 3.33Å; R80-D82 IonicContact NH2-OD1 3.18Å; R80-D82 PolarHBondContact NH2-OD1 2.82Å; R80-D82 IonicContact NH2-OD2 2.72Å; R80-D82 PolarHBondContact NH2-OD2 3.03Å; R80-D82 PolarHBondContact O-N 3.2Å; D82-A152 HydrophobicContact CB-CB 3.84Å
83	G	94.9	Very high	89.3	Confident	11 Å²	11	60.7 Å²	60.7	11%	0.113	30%	0.299	C	S	.	.			trans	-74	177.4	-177.9	0	0	0	0	0	114.4	R80 A81	R80-G83 WeakPolarHBondContact O-CA 3.46Å; R80-G83 PolarHBondContact O-N 3.16Å; A81-G83 VanDerWaalsContact C-N 3.32Å
84	R	95.6	Very high	89.7	Confident	84 Å²	84	58 Å²	58	32%	0.317	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-137.1	156.9	177.5	-71.2	178.9	179.3	-154.2	-10.4	109.5	Q267 Q270	R84-Q267 VanDerWaalsContact CZ-OE1 3.32Å; R84-Q267 VanDerWaalsContact NH1-CD 3.27Å; R84-Q270 HydrophobicContact CG-CG 3.97Å
85	V	96.1	Very high	90.1	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.03	30%	0.295	C	S	.	.			trans	-131.1	147.1	177.2	-63.2	0	0	0	0	111.7	A75 T78 L87 N269 M522	A75-V85 CarbonylContact O-C 3.52Å; A75-V85 VanDerWaalsContact O-CA 3.25Å; A75-V85 WeakPolarHBondContact O-CA 3.49Å; T78-V85 HydrophobicContact CG2-CG1 3.88Å; V85-L87 HydrophobicContact CG2-CD2 4.47Å; V85-L87 PolarHBondContact O-N 2.85Å; V85-N269 PolarHBondContact N-O 3.48Å; V85-N269 VanDerWaalsContact O-CB 3.23Å; V85-N269 WeakPolarHBondContact O-CB 3.28Å; V85-N269 PolarHBondContact O-ND2 3.43Å; V85-M522 HydrophobicContact CG1-CB 3.98Å; V85-M522 HydrophobicContact CG1-CE 4.03Å; V85-M522 HydrophobicContact CG1-CG 4.11Å; V85-M522 HydrophobicContact CG2-CE 4.33Å; V85-M522 HydrophobicContact CG2-CG 3.96Å
86	R	95.1	Very high	90.1	Very high	107 Å²	107	62.7 Å²	62.7	40%	0.404	31%	0.311	S	S	.	.			trans	-66.1	116.6	166.8	175.7	172.6	73	-171	2.4	108.9	E73 E74 A75 L76	E73-R86 IonicContact OE2-NH1 2.76Å; E74-R86 HydrophobicContact CB-CB 3.97Å; E74-R86 WeakPolarHBondContact O-CB 3.3Å; A75-R86 PolarHBondContact O-N 3.42Å; L76-R86 HydrophobicContact CD2-CB 4.23Å; L76-R86 HydrophobicContact CD2-CG 4.26Å
87	L	93.4	Very high	90.1	Very high	36 Å²	36	62.9 Å²	62.9	19%	0.188	31%	0.313	C	S	.	.			trans	-65.5	140.1	177.2	-63	176.9	0	0	0	110.8	V85 L89 P97 P268 N269 D292	V85-L87 HydrophobicContact CG2-CD2 4.47Å; V85-L87 PolarHBondContact O-N 2.85Å; L87-L89 HydrophobicContact CB-CD2 4.38Å; L87-L89 HydrophobicContact CB-CG 4.14Å; L87-L89 PolarHBondContact O-N 3.2Å; L87-P97 HydrophobicContact CD1-CB 3.64Å; L87-P97 HydrophobicContact CD1-CG 3.47Å; L87-P97 VanDerWaalsContact CD1-CG 3.47Å; L87-P268 HydrophobicContact CD1-CB 4.23Å; L87-N269 HydrophobicContact CD1-CB 4.22Å; L87-N269 HydrophobicContact CD2-CB 3.99Å; L87-N269 HydrophobicContact CG-CB 3.93Å; L87-D292 HydrophobicContact CD1-CB 3.99Å; L87-D292 HydrophobicContact CD2-CB 3.71Å
88	R	91.7	Very high	90	Very high	12 Å²	12	61 Å²	61	5%	0.045	31%	0.307	C	S	.	.			trans	-79	64.5	-177.8	-73.5	177.4	-177.1	82.7	-4.2	111	L76 W516 G517 R518 G539	L76-R88 HydrophobicContact CD2-CG 4.12Å; L76-R88 PolarHBondContact O-NH1 3.41Å; L76-R88 PolarHBondContact O-NH2 2.84Å; R88-W516 HydrophobicContact CB-CH2 3.54Å; R88-W516 HydrophobicContact CB-CZ2 3.82Å; R88-W516 HydrophobicContact CB-CZ3 3.96Å; R88-W516 HydrophobicContact CG-CH2 4.11Å; R88-W516 HydrophobicContact CG-CZ2 3.84Å; R88-G517 VanDerWaalsContact CD-O 3.25Å; R88-G517 WeakPolarHBondContact CD-O 3.38Å; R88-R518 WeakPolarHBondContact O-CG 3.38Å; R88-G539 PolarHBondContact NE-O 3.35Å; R88-G539 PolarHBondContact NH2-O 2.9Å
89	L	87.9	Confident	90.1	Very high	92 Å²	92	60.9 Å²	60.9	48%	0.482	31%	0.305	S	S	.	.			trans	-83.5	133.7	178	-56.8	-179.5	0	0	0	110.6	L87 P97 R518	L87-L89 HydrophobicContact CB-CD2 4.38Å; L87-L89 HydrophobicContact CB-CG 4.14Å; L87-L89 PolarHBondContact O-N 3.2Å; L89-P97 HydrophobicContact CD1-CG 4.33Å; L89-P97 HydrophobicContact CD2-CG 3.96Å; L89-R518 HydrophobicContact CD2-CG 4.5Å
90	E	79.4	Confident	90.1	Very high	45 Å²	45	59.9 Å²	59.9	21%	0.21	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-129.8	160.1	-177.3	-77.5	-92.2	-145.3	0	0	110.8	F92 C93 R499 W516	E90-F92 HydrophobicContact CB-CD1 3.85Å; E90-F92 HydrophobicContact CB-CE1 3.44Å; E90-F92 VanDerWaalsContact CB-CE1 3.44Å; E90-F92 HydrophobicContact CB-CE2 4.16Å; E90-F92 HydrophobicContact CB-CG 4.35Å; E90-F92 HydrophobicContact CB-CZ 3.59Å; E90-F92 HydrophobicContact CG-CE1 3.7Å; E90-F92 HydrophobicContact CG-CZ 3.67Å; E90-F92 PolarHBondContact O-N 3.42Å; E90-C93 HydrophobicContact CB-CB 4.22Å; E90-C93 CarbonylContact O-C 3.57Å; E90-C93 VanDerWaalsContact O-C 3.23Å; E90-C93 WeakPolarHBondContact O-CA 3.25Å; E90-C93 PolarHBondContact O-N 3.11Å; E90-R499 IonicContact OE1-CZ 2.59Å; E90-R499 IonicContact OE1-NH1 2.57Å; E90-R499 PolarHBondContact OE1-NH1 3.33Å; E90-W516 HydrophobicContact CG-CH2 3.39Å; E90-W516 HydrophobicContact CG-CZ3 3.45Å; E90-W516 VanDerWaalsContact CG-CZ3 3.45Å
91	P	78.4	Confident	90.2	Very high	115 Å²	115	54.1 Å²	54.1	75%	0.747	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.1	178	-25.5	35.8	0	0	0	115.3	T94	P91-T94 WeakPolarHBondContact O-CG2 3.23Å
92	F	75.9	Confident	90.2	Very high	105 Å²	105	59.8 Å²	59.8	46%	0.461	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	1.4	174	61.4	-94.2	0	0	0	113.4	E90 R499	E90-F92 HydrophobicContact CB-CD1 3.85Å; E90-F92 HydrophobicContact CB-CE1 3.44Å; E90-F92 VanDerWaalsContact CB-CE1 3.44Å; E90-F92 HydrophobicContact CB-CE2 4.16Å; E90-F92 HydrophobicContact CB-CG 4.35Å; E90-F92 HydrophobicContact CB-CZ 3.59Å; E90-F92 HydrophobicContact CG-CE1 3.7Å; E90-F92 HydrophobicContact CG-CZ 3.67Å; E90-F92 PolarHBondContact O-N 3.42Å; F92-R499 HydrophobicContact CZ-CG 3.87Å
93	C	73	Confident	90.3	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.014	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-136.4	59.5	-175.8	-175.2	0	0	0	0	109.3	E90 W296 R518	E90-C93 HydrophobicContact CB-CB 4.22Å; E90-C93 CarbonylContact O-C 3.57Å; E90-C93 VanDerWaalsContact O-C 3.23Å; E90-C93 WeakPolarHBondContact O-CA 3.25Å; E90-C93 PolarHBondContact O-N 3.11Å; C93-W296 WeakPolarHBondContact SG-CH2 3.43Å; C93-W296 WeakPolarHBondContact SG-CZ2 3.35Å; C93-R518 WeakPolarHBondContact SG-CD 3.41Å
94	T	73.8	Confident	90.5	Very high	107 Å²	107	55.6 Å²	55.6	66%	0.656	27%	0.273	S	S	*	.			trans	-87.7	-2.1	-169.5	53.8	0	0	0	0	114.7	P91 L96	P91-T94 WeakPolarHBondContact O-CG2 3.23Å; T94-L96 PolarHBondContact O-N 2.78Å
95	Q	87.8	Confident	90.6	Very high	78 Å²	78	55.9 Å²	55.9	36%	0.364	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-71.5	128.4	-173.7	-53.5	90.5	-21.1	0	0	110.6	W296 Y300 R518	Q95-W296 HydrophobicContact CB-CZ3 4.29Å; Q95-Y300 VanDerWaalsContact CG-OH 3.27Å; Q95-Y300 WeakPolarHBondContact CG-OH 3.04Å; Q95-R518 PolarHBondContact O-NH1 3.41Å; Q95-R518 PolarHBondContact O-NH2 2.95Å
96	L	91.8	Very high	90.6	Very high	149 Å²	149	58.8 Å²	58.8	78%	0.78	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-59.5	130.4	-172.6	-69.4	165.8	0	0	0	111.9	T94 Y98	T94-L96 PolarHBondContact O-N 2.78Å; L96-Y98 WeakPolarHBondContact O-CD1 3.49Å
97	P	94.9	Very high	90.7	Very high	32 Å²	32	53.8 Å²	53.8	21%	0.208	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-53.9	142	167.8	-29.4	37.3	0	0	0	113.5	L87 L89 P268 D292	L87-P97 HydrophobicContact CD1-CB 3.64Å; L87-P97 HydrophobicContact CD1-CG 3.47Å; L87-P97 VanDerWaalsContact CD1-CG 3.47Å; L89-P97 HydrophobicContact CD1-CG 4.33Å; L89-P97 HydrophobicContact CD2-CG 3.96Å; P97-P268 HydrophobicContact CB-CB 3.54Å; P97-P268 HydrophobicContact CB-CG 3.76Å; P97-D292 WeakPolarHBondContact CA-OD1 3.45Å; P97-D292 VanDerWaalsContact CB-OD1 3.25Å; P97-D292 WeakPolarHBondContact CB-OD1 3.18Å
98	Y	96.3	Very high	90.9	Very high	26 Å²	26	53.2 Å²	53.2	10%	0.102	27%	0.266	C	S	.	.			trans	-142.7	156.8	174.1	55.4	-91.6	0	0	0	112.5	L96 M103 T295 R299 Q338	L96-Y98 WeakPolarHBondContact O-CD1 3.49Å; Y98-M103 HydrophobicContact CD2-CB 4Å; Y98-M103 HydrophobicContact CE2-CB 3.7Å; Y98-M103 HydrophobicContact CE2-CG 3.97Å; Y98-T295 HydrophobicContact CD2-CG2 3.97Å; Y98-T295 HydrophobicContact CE2-CG2 4.01Å; Y98-T295 WeakPolarHBondContact O-CG2 3.5Å; Y98-T295 PolarHBondContact O-OG1 3.06Å; Y98-R299 WeakPolarHBondContact OH-CD 3.35Å; Y98-R299 PolarHBondContact OH-NH1 2.88Å; Y98-Q338 PolarHBondContact OH-OE1 3.5Å
99	T	98.4	Very high	91.1	Very high	20 Å²	20	59.1 Å²	59.1	12%	0.123	30%	0.299	C	S	.	.			trans	-76.3	159	-179	53.4	0	0	0	0	112	H101 R102 M103 Q266 P268 Q291	T99-H101 VanDerWaalsContact C-N 3.26Å; T99-H101 PolarHBondContact O-N 3.03Å; T99-R102 PolarHBondContact O-N 3.4Å; T99-R102 WeakPolarHBondContact OG1-CB 3.45Å; T99-R102 PolarHBondContact OG1-N 3.02Å; T99-M103 PolarHBondContact O-N 3.42Å; T99-Q266 HydrophobicContact CG2-CB 4.35Å; T99-P268 HydrophobicContact CG2-CG 4.36Å; T99-Q291 VanDerWaalsContact CA-OE1 3.27Å
100	V	98.3	Very high	91.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.7	-35.8	175	171.6	0	0	0	0	111.3	M103 F104 V173 Q291 I294 T295 W334	V100-M103 HydrophobicContact CG1-CE 4.46Å; V100-M103 WeakPolarHBondContact O-CB 3.08Å; V100-M103 PolarHBondContact O-N 3.38Å; V100-F104 PolarHBondContact O-N 2.95Å; V100-F104 VanDerWaalsContact O-N 3.12Å; V100-V173 HydrophobicContact CB-CG1 3.93Å; V100-V173 HydrophobicContact CG1-CG1 4.2Å; V100-V173 HydrophobicContact CG2-CG1 4.41Å; V100-Q291 HydrophobicContact CG2-CB 4.2Å; V100-Q291 HydrophobicContact CG2-CG 4.27Å; V100-I294 HydrophobicContact CG2-CB 4.26Å; V100-I294 HydrophobicContact CG2-CG2 4.03Å; V100-T295 HydrophobicContact CG2-CG2 4.02Å; V100-W334 HydrophobicContact CG1-CE3 4.05Å; V100-W334 HydrophobicContact CG1-CH2 3.99Å; V100-W334 HydrophobicContact CG1-CZ3 3.39Å
101	H	98.4	Very high	92.4	Very high	23 Å²	23	58.1 Å²	58.1	11%	0.106	29%	0.29	C	S	.	.	H	α-helix	trans	-61.6	-49.1	172.4	172.8	-87.6	0	0	0	111.6	T99 M103 F104 Y105 Y134 F174 I263	T99-H101 VanDerWaalsContact C-N 3.26Å; T99-H101 PolarHBondContact O-N 3.03Å; H101-M103 VanDerWaalsContact C-N 3.3Å; H101-M103 PolarHBondContact O-N 2.92Å; H101-F104 PolarHBondContact O-N 2.89Å; H101-F104 VanDerWaalsContact O-N 3.11Å; H101-Y105 WeakPolarHBondContact O-CB 3.4Å; H101-Y105 PolarHBondContact O-N 3.03Å; H101-Y134 AromaticContact CD2-CE2 3.98Å; H101-Y134 AromaticContact NE2-CE2 3.72Å; H101-Y134 AromaticContact NE2-CZ 3.77Å; H101-Y134 PolarHBondContact NE2-OH 2.92Å; H101-F174 HydrophobicContact CB-CD1 3.99Å; H101-F174 HydrophobicContact CB-CE1 3.84Å; H101-F174 AromaticContact CD2-CE1 3.73Å; H101-F174 AromaticContact CD2-CZ 3.77Å; H101-I263 HydrophobicContact CB-CG2 3.93Å; H101-I263 WeakPolarHBondContact ND1-CG2 3.37Å
102	R	98.1	Very high	93.3	Very high	129 Å²	129	53.1 Å²	53.1	49%	0.487	26%	0.259	S	S	.	.	H	α-helix	trans	-61.3	-38	177.6	179.5	168	170.6	168.1	6.1	112.4	T99 F104 Y105 E106	T99-R102 PolarHBondContact O-N 3.4Å; T99-R102 WeakPolarHBondContact OG1-CB 3.45Å; T99-R102 PolarHBondContact OG1-N 3.02Å; R102-F104 VanDerWaalsContact C-N 3.34Å; R102-F104 PolarHBondContact O-N 3.08Å; R102-Y105 PolarHBondContact O-N 3.29Å; R102-E106 HydrophobicContact CG-CG 4.3Å; R102-E106 IonicContact CZ-OE1 3.1Å; R102-E106 VanDerWaalsContact CZ-OE1 3.25Å; R102-E106 IonicContact NE-OE1 2.86Å; R102-E106 PolarHBondContact NE-OE1 3.08Å; R102-E106 IonicContact NH2-OE1 2.81Å; R102-E106 PolarHBondContact NH2-OE1 3.49Å; R102-E106 WeakPolarHBondContact O-CB 3.43Å; R102-E106 WeakPolarHBondContact O-CG 3.43Å; R102-E106 PolarHBondContact O-N 2.88Å
103	M	98.2	Very high	94.3	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-56.5	-46.4	172.9	-174.8	178.1	70.7	0	0	112	Y98 T99 V100 H101 A107 T295 A298 W334 I337 Q338	Y98-M103 HydrophobicContact CD2-CB 4Å; Y98-M103 HydrophobicContact CE2-CB 3.7Å; Y98-M103 HydrophobicContact CE2-CG 3.97Å; T99-M103 PolarHBondContact O-N 3.42Å; V100-M103 HydrophobicContact CG1-CE 4.46Å; V100-M103 WeakPolarHBondContact O-CB 3.08Å; V100-M103 PolarHBondContact O-N 3.38Å; H101-M103 VanDerWaalsContact C-N 3.3Å; H101-M103 PolarHBondContact O-N 2.92Å; M103-A107 WeakPolarHBondContact O-CB 3.44Å; M103-A107 PolarHBondContact O-N 2.94Å; M103-T295 HydrophobicContact CB-CG2 3.96Å; M103-T295 HydrophobicContact CE-CG2 4.48Å; M103-T295 HydrophobicContact CG-CG2 4.44Å; M103-T295 HydrophobicContact SD-CG2 3.83Å; M103-A298 HydrophobicContact SD-CB 4.17Å; M103-W334 HydrophobicContact CE-CB 4.48Å; M103-W334 HydrophobicContact CE-CE3 4.02Å; M103-I337 HydrophobicContact CE-CB 4.2Å; M103-I337 HydrophobicContact CE-CG2 4Å; M103-I337 HydrophobicContact CG-CG2 4.43Å; M103-Q338 HydrophobicContact CG-CB 4.4Å; M103-Q338 HydrophobicContact SD-CB 3.97Å; M103-Q338 HydrophobicContact SD-CG 4.49Å
104	F	98.6	Very high	95.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-70.9	-43.6	178.6	-154.4	151.7	0	0	0	110.6	V100 H101 R102 E106 A107 L108 Y130 Y133 Y134 V170 F174 I337	V100-F104 PolarHBondContact O-N 2.95Å; V100-F104 VanDerWaalsContact O-N 3.12Å; H101-F104 PolarHBondContact O-N 2.89Å; H101-F104 VanDerWaalsContact O-N 3.11Å; R102-F104 VanDerWaalsContact C-N 3.34Å; R102-F104 PolarHBondContact O-N 3.08Å; F104-E106 PolarHBondContact O-N 2.97Å; F104-A107 WeakPolarHBondContact O-CA 3.4Å; F104-A107 VanDerWaalsContact O-CB 3.29Å; F104-A107 WeakPolarHBondContact O-CB 3.41Å; F104-A107 PolarHBondContact O-N 3.11Å; F104-L108 HydrophobicContact CD2-CD2 4.29Å; F104-L108 HydrophobicContact CD2-CG 4.46Å; F104-L108 HydrophobicContact CE2-CD2 4.1Å; F104-L108 PolarHBondContact O-N 3.42Å; F104-L108 VanDerWaalsContact O-N 3.12Å; F104-Y130 AromaticContact CE2-CD1 3.95Å; F104-Y130 HydrophobicContact CE2-CD1 3.95Å; F104-Y133 HydrophobicContact CE1-CD1 4.01Å; F104-Y133 HydrophobicContact CE1-CD2 4.46Å; F104-Y133 AromaticContact CE1-CE1 3.85Å; F104-Y133 HydrophobicContact CE1-CE1 3.85Å; F104-Y133 HydrophobicContact CE1-CE2 4.3Å; F104-Y133 HydrophobicContact CE1-CG 4.3Å; F104-Y133 AromaticContact CE1-CZ 3.99Å; F104-Y133 HydrophobicContact CE2-CD1 4.43Å; F104-Y133 AromaticContact CZ-CD1 3.45Å; F104-Y133 HydrophobicContact CZ-CD1 3.45Å; F104-Y133 VanDerWaalsContact CZ-CD1 3.45Å; F104-Y133 HydrophobicContact CZ-CD2 4.28Å; F104-Y133 AromaticContact CZ-CE1 3.76Å; F104-Y133 HydrophobicContact CZ-CE1 3.76Å; F104-Y133 AromaticContact CZ-CG 3.73Å; F104-Y133 HydrophobicContact CZ-CG 3.73Å; F104-Y134 HydrophobicContact CD1-CD2 4.4Å; F104-Y134 HydrophobicContact CD2-CD2 4.06Å; F104-Y134 HydrophobicContact CE2-CD2 4.31Å; F104-Y134 HydrophobicContact CE2-CG 4.49Å; F104-Y134 HydrophobicContact CG-CD2 4.1Å; F104-V170 HydrophobicContact CD1-CG1 3.74Å; F104-V170 HydrophobicContact CD1-CG2 4.41Å; F104-V170 HydrophobicContact CE1-CG1 3.83Å; F104-V170 HydrophobicContact CE1-CG2 4.21Å; F104-F174 HydrophobicContact CB-CZ 4.32Å; F104-F174 AromaticContact CD1-CZ 3.92Å; F104-F174 HydrophobicContact CD1-CZ 3.92Å; F104-F174 HydrophobicContact CG-CZ 4.38Å; F104-I337 HydrophobicContact CB-CG2 3.77Å; F104-I337 HydrophobicContact CD1-CD1 3.77Å; F104-I337 HydrophobicContact CD1-CG1 4.23Å; F104-I337 HydrophobicContact CD1-CG2 4.1Å; F104-I337 HydrophobicContact CD2-CG2 4.02Å; F104-I337 HydrophobicContact CE1-CD1 3.88Å; F104-I337 HydrophobicContact CE1-CG1 4.22Å; F104-I337 HydrophobicContact CG-CD1 4.46Å; F104-I337 HydrophobicContact CG-CG2 3.68Å
105	Y	97.3	Very high	96.6	Very high	89 Å²	89	54.6 Å²	54.6	35%	0.349	27%	0.269	S	S	.	.	H	α-helix	trans	-59.5	-47.7	179.6	-168.1	-97	0	0	0	112.2	H101 R102 A107 L108	H101-Y105 WeakPolarHBondContact O-CB 3.4Å; H101-Y105 PolarHBondContact O-N 3.03Å; R102-Y105 PolarHBondContact O-N 3.29Å; Y105-A107 PolarHBondContact O-N 3.21Å; Y105-L108 HydrophobicContact CD2-CD1 4.37Å; Y105-L108 WeakPolarHBondContact O-CB 3.5Å; Y105-L108 PolarHBondContact O-N 2.87Å
106	E	96.8	Very high	97.1	Very high	66 Å²	66	51 Å²	51	31%	0.308	25%	0.252	S	S	.	.	H	α-helix	trans	-63.7	-23.4	174.2	-69.9	-178.2	-174.6	0	0	113	R102 F104	R102-E106 HydrophobicContact CG-CG 4.3Å; R102-E106 IonicContact CZ-OE1 3.1Å; R102-E106 VanDerWaalsContact CZ-OE1 3.25Å; R102-E106 IonicContact NE-OE1 2.86Å; R102-E106 PolarHBondContact NE-OE1 3.08Å; R102-E106 IonicContact NH2-OE1 2.81Å; R102-E106 PolarHBondContact NH2-OE1 3.49Å; R102-E106 WeakPolarHBondContact O-CB 3.43Å; R102-E106 WeakPolarHBondContact O-CG 3.43Å; R102-E106 PolarHBondContact O-N 2.88Å; F104-E106 PolarHBondContact O-N 2.97Å
107	A	97.1	Very high	97.4	Very high	3 Å²	3	44 Å²	44	3%	0.025	22%	0.216	C	C	.	.	H	α-helix	trans	-76.9	-24.5	174.1	0	0	0	0	0	113	M103 F104 Y105 K110 Y111 I337	M103-A107 WeakPolarHBondContact O-CB 3.44Å; M103-A107 PolarHBondContact O-N 2.94Å; F104-A107 WeakPolarHBondContact O-CA 3.4Å; F104-A107 VanDerWaalsContact O-CB 3.29Å; F104-A107 WeakPolarHBondContact O-CB 3.41Å; F104-A107 PolarHBondContact O-N 3.11Å; Y105-A107 PolarHBondContact O-N 3.21Å; A107-K110 PolarHBondContact O-N 3.35Å; A107-Y111 HydrophobicContact CB-CD2 3.95Å; A107-Y111 HydrophobicContact CB-CE2 4.32Å; A107-Y111 WeakPolarHBondContact O-CB 3.42Å; A107-Y111 WeakPolarHBondContact O-CD2 3.36Å; A107-Y111 PolarHBondContact O-N 3.47Å; A107-I337 HydrophobicContact CB-CG2 4.39Å; A107-I337 VanDerWaalsContact CB-O 3.23Å; A107-I337 WeakPolarHBondContact CB-O 3.35Å
108	L	97.9	Very high	97.5	Very high	23 Å²	23	42.5 Å²	42.5	12%	0.12	21%	0.206	C	C	.	.	H	α-helix	trans	-66.5	-41.3	177.6	-65.4	176.7	0	0	0	112.3	F104 Y105 K110 Y111 G112 Y134	F104-L108 HydrophobicContact CD2-CD2 4.29Å; F104-L108 HydrophobicContact CD2-CG 4.46Å; F104-L108 HydrophobicContact CE2-CD2 4.1Å; F104-L108 PolarHBondContact O-N 3.42Å; F104-L108 VanDerWaalsContact O-N 3.12Å; Y105-L108 HydrophobicContact CD2-CD1 4.37Å; Y105-L108 WeakPolarHBondContact O-CB 3.5Å; Y105-L108 PolarHBondContact O-N 2.87Å; L108-K110 PolarHBondContact O-N 2.92Å; L108-K110 VanDerWaalsContact O-N 3.14Å; L108-Y111 PolarHBondContact O-N 3.09Å; L108-G112 WeakPolarHBondContact O-CA 3.42Å; L108-G112 PolarHBondContact O-N 3.23Å; L108-Y134 HydrophobicContact CD1-CD1 3.62Å; L108-Y134 HydrophobicContact CD1-CD2 4.02Å; L108-Y134 HydrophobicContact CD1-CE1 3.92Å; L108-Y134 HydrophobicContact CD1-CE2 4.3Å; L108-Y134 HydrophobicContact CD1-CG 3.67Å; L108-Y134 HydrophobicContact CD2-CG 4.34Å; L108-Y134 HydrophobicContact CG-CG 4.47Å
109	D	95.4	Very high	97.5	Very high	136 Å²	136	41.9 Å²	41.9	73%	0.727	20%	0.204	S	C	*	.	H	α-helix	trans	-60	-25.2	178.7	-68.3	-20.5	0	0	0	112.9
110	K	95.4	Very high	97.1	Very high	113 Å²	113	43.5 Å²	43.5	49%	0.491	21%	0.21	S	C	.	.	H	α-helix	trans	-100.8	-40.3	-177.3	-67.1	159.4	159.1	-91.3	0	113.2	A107 L108 E311	A107-K110 PolarHBondContact O-N 3.35Å; L108-K110 PolarHBondContact O-N 2.92Å; L108-K110 VanDerWaalsContact O-N 3.14Å; K110-E311 IonicContact NZ-OE1 3.25Å; K110-E311 PolarHBondContact NZ-OE1 2.96Å
111	Y	97.8	Very high	96.5	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-126.4	2.3	-164.2	-44.7	-47.7	0	0	0	113.6	A107 L108 D113 L114 Y130 A310 E311 W339 G340	A107-Y111 HydrophobicContact CB-CD2 3.95Å; A107-Y111 HydrophobicContact CB-CE2 4.32Å; A107-Y111 WeakPolarHBondContact O-CB 3.42Å; A107-Y111 WeakPolarHBondContact O-CD2 3.36Å; A107-Y111 PolarHBondContact O-N 3.47Å; L108-Y111 PolarHBondContact O-N 3.09Å; Y111-D113 VanDerWaalsContact C-N 3.27Å; Y111-D113 PolarHBondContact O-N 3.45Å; Y111-D113 VanDerWaalsContact O-N 3.09Å; Y111-L114 HydrophobicContact CD1-CD1 3.92Å; Y111-L114 HydrophobicContact CG-CD1 4.39Å; Y111-L114 WeakPolarHBondContact O-CA 3.49Å; Y111-L114 VanDerWaalsContact O-CB 3.32Å; Y111-L114 WeakPolarHBondContact O-CB 3.41Å; Y111-L114 PolarHBondContact O-N 2.83Å; Y111-Y130 WeakPolarHBondContact O-CB 3.46Å; Y111-Y130 WeakPolarHBondContact O-CD2 3.3Å; Y111-A310 HydrophobicContact CD1-CB 3.83Å; Y111-A310 HydrophobicContact CE1-CB 3.73Å; Y111-E311 HydrophobicContact CE1-CG 4.06Å; Y111-E311 VanDerWaalsContact CE1-OE2 3.3Å; Y111-E311 WeakPolarHBondContact CE1-OE2 3.5Å; Y111-E311 PolarHBondContact OH-OE2 3.23Å; Y111-E311 VanDerWaalsContact OH-OE2 3.05Å; Y111-W339 VanDerWaalsContact CE2-C 3.47Å; Y111-G340 VanDerWaalsContact CD2-CA 3.42Å
112	G	97.2	Very high	95.7	Very high	10 Å²	10	53.9 Å²	53.9	10%	0.103	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-41.3	-170.7	0	0	0	0	0	115.4	L108 S129 Y130 Y131	L108-G112 WeakPolarHBondContact O-CA 3.42Å; L108-G112 PolarHBondContact O-N 3.23Å; G112-S129 WeakPolarHBondContact O-CB 3.49Å; G112-S129 PolarHBondContact O-OG 2.59Å; G112-Y130 PolarHBondContact O-N 3.43Å; G112-Y131 WeakPolarHBondContact O-CB 2.94Å; G112-Y131 PolarHBondContact O-N 2.97Å
113	D	97	Very high	95	Very high	161 Å²	161	55 Å²	55	86%	0.861	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-13.4	178.6	-70.5	-29.8	0	0	0	114	Y111	Y111-D113 VanDerWaalsContact C-N 3.27Å; Y111-D113 PolarHBondContact O-N 3.45Å; Y111-D113 VanDerWaalsContact O-N 3.09Å
114	L	97.9	Very high	94.6	Very high	61 Å²	61	62.4 Å²	62.4	32%	0.319	30%	0.298	S	S	.	.	S	Bend	trans	-73.9	150.4	177.7	-57.3	-177	0	0	0	111	Y111 A116 S129 Y130 A310	Y111-L114 HydrophobicContact CD1-CD1 3.92Å; Y111-L114 HydrophobicContact CG-CD1 4.39Å; Y111-L114 WeakPolarHBondContact O-CA 3.49Å; Y111-L114 VanDerWaalsContact O-CB 3.32Å; Y111-L114 WeakPolarHBondContact O-CB 3.41Å; Y111-L114 PolarHBondContact O-N 2.83Å; L114-A116 PolarHBondContact O-N 3.18Å; L114-S129 CarbonylContact O-C 3.56Å; L114-S129 WeakPolarHBondContact O-CA 3.43Å; L114-S129 WeakPolarHBondContact O-CB 3.43Å; L114-Y130 HydrophobicContact CB-CD2 4.35Å; L114-Y130 PolarHBondContact O-N 3.43Å; L114-Y130 VanDerWaalsContact O-N 3.07Å; L114-A310 HydrophobicContact CD1-CB 3.81Å
115	S	97.8	Very high	94.4	Very high	23 Å²	23	66.3 Å²	66.3	16%	0.161	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	117.2	173.3	-173.5	0	0	0	0	109.7	Q314 Q342	S115-Q314 PolarHBondContact O-NE2 3.1Å; S115-Q342 PolarHBondContact OG-NE2 3.41Å
116	A	98.4	Very high	94.3	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.008	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-50.9	175.1	0	0	0	0	0	111.2	L114 I128 Y130 Y133 Q342 V343	L114-A116 PolarHBondContact O-N 3.18Å; A116-I128 PolarHBondContact N-O 3.24Å; A116-Y130 HydrophobicContact CB-CD1 3.77Å; A116-Y130 HydrophobicContact CB-CD2 3.58Å; A116-Y130 HydrophobicContact CB-CE1 3.73Å; A116-Y130 HydrophobicContact CB-CE2 3.54Å; A116-Y130 HydrophobicContact CB-CG 3.68Å; A116-Y133 HydrophobicContact CB-CD1 4.06Å; A116-Q342 CarbonylContact O-C 3.57Å; A116-Q342 WeakPolarHBondContact O-CA 3.31Å; A116-V343 PolarHBondContact O-N 3.37Å
117	L	98.5	Very high	94.3	Very high	2 Å²	2	68.6 Å²	68.6	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.3	-173.3	-49.9	179.1	0	0	0	110.7	R127 I128 Y133 P163 F166 F167 V343 F345	L117-R127 VanDerWaalsContact O-CA 3.31Å; L117-R127 WeakPolarHBondContact O-CA 3.39Å; L117-I128 HydrophobicContact CB-CB 4.29Å; L117-I128 PolarHBondContact N-O 3.23Å; L117-I128 VanDerWaalsContact N-O 3.1Å; L117-I128 PolarHBondContact O-N 3.14Å; L117-Y133 HydrophobicContact CD1-CD1 4.22Å; L117-Y133 HydrophobicContact CD1-CD2 4.07Å; L117-Y133 HydrophobicContact CD1-CE1 4.45Å; L117-Y133 HydrophobicContact CD1-CE2 4.34Å; L117-Y133 HydrophobicContact CD1-CG 4.04Å; L117-Y133 HydrophobicContact CD2-CD1 4.43Å; L117-Y133 HydrophobicContact CD2-CE1 4.35Å; L117-Y133 HydrophobicContact CG-CD1 4.25Å; L117-Y133 HydrophobicContact CG-CG 4.44Å; L117-P163 HydrophobicContact CD1-CB 4.13Å; L117-F166 HydrophobicContact CD1-CB 4.42Å; L117-F166 HydrophobicContact CD1-CD2 4.43Å; L117-F166 HydrophobicContact CD2-CD2 3.59Å; L117-F166 HydrophobicContact CD2-CE2 3.86Å; L117-F167 HydrophobicContact CD1-CE1 3.73Å; L117-F167 HydrophobicContact CD1-CZ 4.33Å; L117-V343 CarbonylContact C-O 3.49Å; L117-V343 WeakPolarHBondContact CA-O 3.48Å; L117-V343 HydrophobicContact CD2-CB 4.04Å; L117-V343 HydrophobicContact CD2-CG2 4.47Å; L117-F345 HydrophobicContact CB-CE2 4.22Å; L117-F345 HydrophobicContact CD1-CE2 4.44Å; L117-F345 HydrophobicContact CD2-CE2 4.16Å; L117-F345 HydrophobicContact CD2-CZ 4.37Å
118	G	97.4	Very high	94.3	Very high	1 Å²	1	68.7 Å²	68.7	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	136.7	170.4	0	0	0	0	0	110.8	E126 V343 C344 F345	G118-E126 WeakPolarHBondContact CA-O 3.48Å; G118-V343 PolarHBondContact N-O 2.89Å; G118-C344 CarbonylContact O-C 3.51Å; G118-C344 VanDerWaalsContact O-CA 3.3Å; G118-C344 WeakPolarHBondContact O-CA 3.2Å; G118-F345 WeakPolarHBondContact O-CD2 3.32Å; G118-F345 PolarHBondContact O-N 3.16Å
119	F	95.1	Very high	94.4	Very high	14 Å²	14	68.7 Å²	68.7	6%	0.061	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	161.2	-179.5	64.8	-75.7	0	0	0	110.9	L43 H121 W125 E126 I128 P163 F345	L43-F119 HydrophobicContact CD1-CZ 4.44Å; F119-H121 HydrophobicContact CD2-CB 4.44Å; F119-H121 HydrophobicContact CE2-CB 4Å; F119-W125 WeakPolarHBondContact O-CA 3.46Å; F119-E126 HydrophobicContact CD1-CB 4.34Å; F119-E126 HydrophobicContact CE1-CB 3.77Å; F119-E126 HydrophobicContact CE2-CB 4.16Å; F119-E126 HydrophobicContact CZ-CB 3.67Å; F119-E126 WeakPolarHBondContact CZ-OE2 3.48Å; F119-E126 PolarHBondContact N-O 3.4Å; F119-E126 VanDerWaalsContact N-O 3.07Å; F119-E126 PolarHBondContact O-N 3.09Å; F119-I128 HydrophobicContact CD1-CD1 4.48Å; F119-I128 HydrophobicContact CE1-CD1 3.77Å; F119-I128 HydrophobicContact CE1-CG1 3.97Å; F119-P163 HydrophobicContact CB-CG 3.83Å; F119-P163 HydrophobicContact CD1-CG 3.66Å; F119-P163 HydrophobicContact CD2-CG 4.31Å; F119-P163 HydrophobicContact CE1-CG 4.32Å; F119-P163 HydrophobicContact CG-CG 3.67Å; F119-F345 HydrophobicContact CB-CB 4.49Å; F119-F345 HydrophobicContact CB-CD2 4.21Å
120	K	91.3	Very high	94.5	Very high	53 Å²	53	62.3 Å²	62.3	23%	0.23	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	120.8	174.4	-71.8	177.9	179.8	177	0	110.5	K124 W125 D347 E361	K120-K124 CarbonylContact C-O 3.53Å; K120-K124 WeakPolarHBondContact CA-O 3.27Å; K120-W125 HydrophobicContact CD-CZ2 4.36Å; K120-W125 HydrophobicContact CG-CD2 4.09Å; K120-W125 HydrophobicContact CG-CE3 4.41Å; K120-W125 HydrophobicContact CG-CH2 4.36Å; K120-W125 HydrophobicContact CG-CZ2 4.03Å; K120-D347 WeakPolarHBondContact CD-OD1 3.45Å; K120-D347 IonicContact NZ-OD1 3.86Å; K120-D347 IonicContact NZ-OD2 2.8Å; K120-D347 PolarHBondContact NZ-OD2 3.3Å; K120-E361 WeakPolarHBondContact CE-OE2 3.35Å; K120-E361 IonicContact NZ-OE1 3.26Å; K120-E361 PolarHBondContact NZ-OE1 3.46Å; K120-E361 IonicContact NZ-OE2 3.85Å; K120-E361 PolarHBondContact NZ-OE2 3.14Å
121	H	85.1	Confident	94.7	Very high	65 Å²	65	62.1 Å²	62.1	30%	0.301	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.8	164.9	-170.3	78.1	0	0	0	108.9	F119 N123 K124 E126	F119-H121 HydrophobicContact CD2-CB 4.44Å; F119-H121 HydrophobicContact CE2-CB 4Å; H121-N123 VanDerWaalsContact C-N 3.25Å; H121-N123 PolarHBondContact O-N 2.92Å; H121-N123 VanDerWaalsContact O-N 3.16Å; H121-K124 PolarHBondContact N-O 2.98Å; H121-K124 PolarHBondContact O-N 2.92Å; H121-E126 HydrophobicContact CB-CG 4.32Å; H121-E126 WeakPolarHBondContact CB-OE1 3.14Å; H121-E126 IonicContact CD2-OE1 3.64Å; H121-E126 IonicContact CG-OE1 3.42Å
122	R	81.4	Confident	94.7	Very high	177 Å²	177	65.9 Å²	65.9	67%	0.668	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	44.8	-177.5	-58.6	173.7	-170.9	-160.9	-2.1	113.2	T40 K124	T40-R122 PolarHBondContact OG1-NH2 3.49Å; R122-K124 VanDerWaalsContact C-N 3.25Å; R122-K124 PolarHBondContact O-N 3.14Å
123	N	82.6	Confident	94.8	Very high	152 Å²	152	65.5 Å²	65.5	81%	0.813	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	20.5	-175.7	-62	-22.8	0	0	0	116.1	H121	H121-N123 VanDerWaalsContact C-N 3.25Å; H121-N123 PolarHBondContact O-N 2.92Å; H121-N123 VanDerWaalsContact O-N 3.16Å
124	K	89.9	Confident	94.8	Very high	157 Å²	157	58.8 Å²	58.8	68%	0.683	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	142.8	171.4	-66	-179.2	179.7	177.7	0	110.3	K120 H121 R122 E126	K120-K124 CarbonylContact C-O 3.53Å; K120-K124 WeakPolarHBondContact CA-O 3.27Å; H121-K124 PolarHBondContact N-O 2.98Å; H121-K124 PolarHBondContact O-N 2.92Å; R122-K124 VanDerWaalsContact C-N 3.25Å; R122-K124 PolarHBondContact O-N 3.14Å; K124-E126 PolarHBondContact O-N 3.41Å
125	W	94.1	Very high	94.8	Very high	82 Å²	82	58.7 Å²	58.7	31%	0.311	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	116.7	174.1	-77.7	97.8	0	0	0	110.7	F119 K120 C344 T358 E361 V362	F119-W125 WeakPolarHBondContact O-CA 3.46Å; K120-W125 HydrophobicContact CD-CZ2 4.36Å; K120-W125 HydrophobicContact CG-CD2 4.09Å; K120-W125 HydrophobicContact CG-CE3 4.41Å; K120-W125 HydrophobicContact CG-CH2 4.36Å; K120-W125 HydrophobicContact CG-CZ2 4.03Å; W125-C344 HydrophobicContact CH2-CB 4.02Å; W125-C344 HydrophobicContact CZ3-CB 3.91Å; W125-T358 HydrophobicContact CH2-CG2 4.1Å; W125-T358 HydrophobicContact CZ2-CG2 4.19Å; W125-E361 PolarHBondContact NE1-OE2 3.01Å; W125-V362 HydrophobicContact CH2-CG2 3.66Å; W125-V362 HydrophobicContact CZ2-CG2 3.66Å; W125-V362 HydrophobicContact CZ3-CG2 4.47Å
126	E	95.6	Very high	94.9	Very high	43 Å²	43	58.6 Å²	58.6	20%	0.201	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	158.2	169.2	-74.7	-178.2	-161.1	0	0	109.9	I44 G118 F119 H121 K124	I44-E126 HydrophobicContact CD1-CB 3.85Å; I44-E126 HydrophobicContact CD1-CG 4.04Å; I44-E126 VanDerWaalsContact CD1-OE2 3.32Å; I44-E126 WeakPolarHBondContact CD1-OE2 3.44Å; G118-E126 WeakPolarHBondContact CA-O 3.48Å; F119-E126 HydrophobicContact CD1-CB 4.34Å; F119-E126 HydrophobicContact CE1-CB 3.77Å; F119-E126 HydrophobicContact CE2-CB 4.16Å; F119-E126 HydrophobicContact CZ-CB 3.67Å; F119-E126 WeakPolarHBondContact CZ-OE2 3.48Å; F119-E126 PolarHBondContact N-O 3.4Å; F119-E126 VanDerWaalsContact N-O 3.07Å; F119-E126 PolarHBondContact O-N 3.09Å; H121-E126 HydrophobicContact CB-CG 4.32Å; H121-E126 WeakPolarHBondContact CB-OE1 3.14Å; H121-E126 IonicContact CD2-OE1 3.64Å; H121-E126 IonicContact CG-OE1 3.42Å; K124-E126 PolarHBondContact O-N 3.41Å
127	R	96.8	Very high	94.9	Very high	160 Å²	160	58.6 Å²	58.6	60%	0.604	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.9	144.5	-173.4	-70.4	-178.5	-179	172.9	-0.6	111.3	L117	L117-R127 VanDerWaalsContact O-CA 3.31Å; L117-R127 WeakPolarHBondContact O-CA 3.39Å
128	I	98.2	Very high	94.8	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.026	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.7	179	-60	177.7	0	0	0	107.9	A116 L117 F119 Q132 I136 P163 F167	A116-I128 PolarHBondContact N-O 3.24Å; L117-I128 HydrophobicContact CB-CB 4.29Å; L117-I128 PolarHBondContact N-O 3.23Å; L117-I128 VanDerWaalsContact N-O 3.1Å; L117-I128 PolarHBondContact O-N 3.14Å; F119-I128 HydrophobicContact CD1-CD1 4.48Å; F119-I128 HydrophobicContact CE1-CD1 3.77Å; F119-I128 HydrophobicContact CE1-CG1 3.97Å; I128-Q132 HydrophobicContact CG2-CB 3.57Å; I128-I136 HydrophobicContact CD1-CD1 4.48Å; I128-I136 HydrophobicContact CG2-CD1 4.28Å; I128-P163 HydrophobicContact CD1-CB 4.48Å; I128-F167 HydrophobicContact CD1-CE1 4.37Å; I128-F167 HydrophobicContact CD1-CZ 3.64Å
129	S	98.6	Very high	94.9	Very high	22 Å²	22	62.6 Å²	62.6	15%	0.154	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	164	175.8	77.4	0	0	0	0	112.3	G112 L114 Y131 Q132 Y133	G112-S129 WeakPolarHBondContact O-CB 3.49Å; G112-S129 PolarHBondContact O-OG 2.59Å; L114-S129 CarbonylContact O-C 3.56Å; L114-S129 WeakPolarHBondContact O-CA 3.43Å; L114-S129 WeakPolarHBondContact O-CB 3.43Å; S129-Y131 PolarHBondContact O-N 3.24Å; S129-Y131 PolarHBondContact OG-N 3.27Å; S129-Q132 PolarHBondContact O-N 3.3Å; S129-Q132 PolarHBondContact OG-N 2.97Å; S129-Y133 WeakPolarHBondContact O-CB 3.33Å; S129-Y133 PolarHBondContact O-N 2.8Å
130	Y	98.6	Very high	95	Very high	3 Å²	3	62 Å²	62	1%	0.012	27%	0.271	C	S	.	.	H	α-helix	trans	-58.2	-38	174	-85.8	-78.3	0	0	0	112.8	F104 Y111 G112 L114 A116 Y133 Y134 G336 G340 A341	F104-Y130 AromaticContact CE2-CD1 3.95Å; F104-Y130 HydrophobicContact CE2-CD1 3.95Å; Y111-Y130 WeakPolarHBondContact O-CB 3.46Å; Y111-Y130 WeakPolarHBondContact O-CD2 3.3Å; G112-Y130 PolarHBondContact O-N 3.43Å; L114-Y130 HydrophobicContact CB-CD2 4.35Å; L114-Y130 PolarHBondContact O-N 3.43Å; L114-Y130 VanDerWaalsContact O-N 3.07Å; A116-Y130 HydrophobicContact CB-CD1 3.77Å; A116-Y130 HydrophobicContact CB-CD2 3.58Å; A116-Y130 HydrophobicContact CB-CE1 3.73Å; A116-Y130 HydrophobicContact CB-CE2 3.54Å; A116-Y130 HydrophobicContact CB-CG 3.68Å; Y130-Y133 PolarHBondContact O-N 3.47Å; Y130-Y134 WeakPolarHBondContact O-CB 3.46Å; Y130-Y134 PolarHBondContact O-N 3.31Å; Y130-G336 PolarHBondContact OH-O 2.97Å; Y130-G340 VanDerWaalsContact OH-CA 3.31Å; Y130-G340 WeakPolarHBondContact OH-CA 3.5Å; Y130-A341 PolarHBondContact OH-N 3.5Å; Y130-A341 PolarHBondContact OH-O 2.85Å
131	Y	98.6	Very high	95.4	Very high	109 Å²	109	59.4 Å²	59.4	43%	0.427	26%	0.26	S	S	.	.	H	α-helix	trans	-64	-46	176.2	-165.9	-104	0	0	0	112	G112 S129 Y134 L135	G112-Y131 WeakPolarHBondContact O-CB 2.94Å; G112-Y131 PolarHBondContact O-N 2.97Å; S129-Y131 PolarHBondContact O-N 3.24Å; S129-Y131 PolarHBondContact OG-N 3.27Å; Y131-Y134 PolarHBondContact O-N 3.38Å; Y131-L135 HydrophobicContact CD1-CD1 3.85Å; Y131-L135 HydrophobicContact CD1-CG 4.48Å; Y131-L135 HydrophobicContact CE1-CD1 3.51Å; Y131-L135 HydrophobicContact CE1-CG 4.3Å; Y131-L135 WeakPolarHBondContact O-CG 3.47Å; Y131-L135 PolarHBondContact O-N 2.94Å
132	Q	98.6	Very high	96	Very high	82 Å²	82	56.9 Å²	56.9	38%	0.383	25%	0.248	S	C	.	.	H	α-helix	trans	-62.6	-45.3	175.2	-70.2	172	-41	0	0	111.4	I128 S129 Y134 L135 I136	I128-Q132 HydrophobicContact CG2-CB 3.57Å; S129-Q132 PolarHBondContact O-N 3.3Å; S129-Q132 PolarHBondContact OG-N 2.97Å; Q132-Y134 PolarHBondContact O-N 2.95Å; Q132-L135 PolarHBondContact O-N 3.26Å; Q132-I136 WeakPolarHBondContact O-CB 3.2Å; Q132-I136 WeakPolarHBondContact O-CD1 3.32Å; Q132-I136 VanDerWaalsContact O-CG1 3.24Å; Q132-I136 WeakPolarHBondContact O-CG1 3.39Å; Q132-I136 PolarHBondContact O-N 2.91Å
133	Y	98.6	Very high	96.8	Very high	3 Å²	3	48.4 Å²	48.4	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-59.6	-44.3	178.8	177.3	-157.5	0	0	0	111.7	F104 A116 L117 S129 Y130 I136 S137 F166 F167 V170 L333 I337	F104-Y133 HydrophobicContact CE1-CD1 4.01Å; F104-Y133 HydrophobicContact CE1-CD2 4.46Å; F104-Y133 AromaticContact CE1-CE1 3.85Å; F104-Y133 HydrophobicContact CE1-CE1 3.85Å; F104-Y133 HydrophobicContact CE1-CE2 4.3Å; F104-Y133 HydrophobicContact CE1-CG 4.3Å; F104-Y133 AromaticContact CE1-CZ 3.99Å; F104-Y133 HydrophobicContact CE2-CD1 4.43Å; F104-Y133 AromaticContact CZ-CD1 3.45Å; F104-Y133 HydrophobicContact CZ-CD1 3.45Å; F104-Y133 VanDerWaalsContact CZ-CD1 3.45Å; F104-Y133 HydrophobicContact CZ-CD2 4.28Å; F104-Y133 AromaticContact CZ-CE1 3.76Å; F104-Y133 HydrophobicContact CZ-CE1 3.76Å; F104-Y133 AromaticContact CZ-CG 3.73Å; F104-Y133 HydrophobicContact CZ-CG 3.73Å; A116-Y133 HydrophobicContact CB-CD1 4.06Å; L117-Y133 HydrophobicContact CD1-CD1 4.22Å; L117-Y133 HydrophobicContact CD1-CD2 4.07Å; L117-Y133 HydrophobicContact CD1-CE1 4.45Å; L117-Y133 HydrophobicContact CD1-CE2 4.34Å; L117-Y133 HydrophobicContact CD1-CG 4.04Å; L117-Y133 HydrophobicContact CD2-CD1 4.43Å; L117-Y133 HydrophobicContact CD2-CE1 4.35Å; L117-Y133 HydrophobicContact CG-CD1 4.25Å; L117-Y133 HydrophobicContact CG-CG 4.44Å; S129-Y133 WeakPolarHBondContact O-CB 3.33Å; S129-Y133 PolarHBondContact O-N 2.8Å; Y130-Y133 PolarHBondContact O-N 3.47Å; Y133-I136 PolarHBondContact O-N 2.63Å; Y133-S137 WeakPolarHBondContact CD2-OG 3.4Å; Y133-S137 VanDerWaalsContact CE2-OG 3.28Å; Y133-S137 WeakPolarHBondContact CE2-OG 3.37Å; Y133-S137 WeakPolarHBondContact O-CB 3.25Å; Y133-S137 PolarHBondContact O-N 2.82Å; Y133-S137 PolarHBondContact O-OG 3.34Å; Y133-F166 HydrophobicContact CE1-CD2 4.27Å; Y133-F166 HydrophobicContact CE2-CB 4.04Å; Y133-F166 AromaticContact CZ-CD2 3.95Å; Y133-F166 WeakPolarHBondContact OH-CB 3.38Å; Y133-F166 WeakPolarHBondContact OH-CD2 3.33Å; Y133-F166 PolarHBondContact OH-O 2.85Å; Y133-F167 AromaticContact CD2-CD1 3.51Å; Y133-F167 HydrophobicContact CD2-CD1 3.51Å; Y133-F167 AromaticContact CD2-CE1 3.63Å; Y133-F167 HydrophobicContact CD2-CE1 3.63Å; Y133-F167 AromaticContact CE2-CD1 3.69Å; Y133-F167 HydrophobicContact CE2-CD1 3.69Å; Y133-F167 HydrophobicContact CE2-CE1 4.15Å; Y133-F167 HydrophobicContact CG-CE1 4.5Å; Y133-V170 HydrophobicContact CE2-CG2 4.28Å; Y133-V170 WeakPolarHBondContact OH-CG2 3.3Å; Y133-L333 WeakPolarHBondContact OH-CD1 3.41Å; Y133-I337 HydrophobicContact CE1-CD1 4.18Å; Y133-I337 HydrophobicContact CE1-CG1 4.08Å
134	Y	98.7	Very high	97.6	Very high	19 Å²	19	41.2 Å²	41.2	8%	0.075	18%	0.178	C	C	.	.	H	α-helix	trans	-61.9	-46.3	175.1	177.2	-102.2	0	0	0	112.4	H101 F104 L108 Y130 Y131 Q132 S137 R138 F174	H101-Y134 AromaticContact CD2-CE2 3.98Å; H101-Y134 AromaticContact NE2-CE2 3.72Å; H101-Y134 AromaticContact NE2-CZ 3.77Å; H101-Y134 PolarHBondContact NE2-OH 2.92Å; F104-Y134 HydrophobicContact CD1-CD2 4.4Å; F104-Y134 HydrophobicContact CD2-CD2 4.06Å; F104-Y134 HydrophobicContact CE2-CD2 4.31Å; F104-Y134 HydrophobicContact CE2-CG 4.49Å; F104-Y134 HydrophobicContact CG-CD2 4.1Å; L108-Y134 HydrophobicContact CD1-CD1 3.62Å; L108-Y134 HydrophobicContact CD1-CD2 4.02Å; L108-Y134 HydrophobicContact CD1-CE1 3.92Å; L108-Y134 HydrophobicContact CD1-CE2 4.3Å; L108-Y134 HydrophobicContact CD1-CG 3.67Å; L108-Y134 HydrophobicContact CD2-CG 4.34Å; L108-Y134 HydrophobicContact CG-CG 4.47Å; Y130-Y134 WeakPolarHBondContact O-CB 3.46Å; Y130-Y134 PolarHBondContact O-N 3.31Å; Y131-Y134 PolarHBondContact O-N 3.38Å; Q132-Y134 PolarHBondContact O-N 2.95Å; Y134-S137 PolarHBondContact O-N 3.07Å; Y134-R138 VanDerWaalsContact CE1-CD 3.48Å; Y134-R138 HydrophobicContact CE1-CG 4.28Å; Y134-R138 PolarHBondContact O-N 3.5Å; Y134-R138 PolarHBondContact OH-NH1 3.42Å; Y134-F174 AromaticContact CD2-CE2 3.7Å; Y134-F174 HydrophobicContact CD2-CE2 3.7Å; Y134-F174 AromaticContact CD2-CZ 3.79Å; Y134-F174 HydrophobicContact CD2-CZ 3.79Å; Y134-F174 AromaticContact CE2-CE2 3.58Å; Y134-F174 HydrophobicContact CE2-CE2 3.58Å; Y134-F174 AromaticContact CE2-CZ 3.69Å; Y134-F174 HydrophobicContact CE2-CZ 3.69Å
135	L	97.8	Very high	98	Very high	59 Å²	59	35.3 Å²	35.3	31%	0.309	15%	0.154	S	C	.	.	H	α-helix	trans	-64.4	-41.2	178.6	-70.7	-179.6	0	0	0	112.8	Y131 Q132 R138 K139	Y131-L135 HydrophobicContact CD1-CD1 3.85Å; Y131-L135 HydrophobicContact CD1-CG 4.48Å; Y131-L135 HydrophobicContact CE1-CD1 3.51Å; Y131-L135 HydrophobicContact CE1-CG 4.3Å; Y131-L135 WeakPolarHBondContact O-CG 3.47Å; Y131-L135 PolarHBondContact O-N 2.94Å; Q132-L135 PolarHBondContact O-N 3.26Å; L135-R138 PolarHBondContact O-N 2.91Å; L135-K139 WeakPolarHBondContact O-CG 3.31Å; L135-K139 PolarHBondContact O-N 2.92Å
136	I	98.1	Very high	98.2	Very high	22 Å²	22	36.2 Å²	36.2	11%	0.113	16%	0.16	C	C	.	.	H	α-helix	trans	-63.3	-45.4	174.9	-65.5	162.5	0	0	0	109.8	I128 Q132 Y133 R138 K139 V140 F167 M248	I128-I136 HydrophobicContact CD1-CD1 4.48Å; I128-I136 HydrophobicContact CG2-CD1 4.28Å; Q132-I136 WeakPolarHBondContact O-CB 3.2Å; Q132-I136 WeakPolarHBondContact O-CD1 3.32Å; Q132-I136 VanDerWaalsContact O-CG1 3.24Å; Q132-I136 WeakPolarHBondContact O-CG1 3.39Å; Q132-I136 PolarHBondContact O-N 2.91Å; Y133-I136 PolarHBondContact O-N 2.63Å; I136-R138 VanDerWaalsContact C-N 3.29Å; I136-R138 PolarHBondContact O-N 2.57Å; I136-K139 WeakPolarHBondContact O-CB 3.4Å; I136-K139 PolarHBondContact O-N 3.36Å; I136-K139 VanDerWaalsContact O-N 3.09Å; I136-V140 HydrophobicContact CG2-CG2 4.41Å; I136-V140 WeakPolarHBondContact O-CG2 3.42Å; I136-V140 PolarHBondContact O-N 3.28Å; I136-F167 HydrophobicContact CB-CD1 4.27Å; I136-F167 HydrophobicContact CB-CE1 4.41Å; I136-F167 HydrophobicContact CB-CG 4.45Å; I136-F167 HydrophobicContact CD1-CE1 4.3Å; I136-F167 HydrophobicContact CD1-CZ 4.07Å; I136-F167 HydrophobicContact CG2-CB 4.03Å; I136-F167 HydrophobicContact CG2-CD1 3.75Å; I136-F167 HydrophobicContact CG2-CD2 3.46Å; I136-F167 VanDerWaalsContact CG2-CD2 3.46Å; I136-F167 HydrophobicContact CG2-CE1 4.07Å; I136-F167 HydrophobicContact CG2-CE2 3.82Å; I136-F167 HydrophobicContact CG2-CG 3.46Å; I136-F167 VanDerWaalsContact CG2-CG 3.46Å; I136-F167 HydrophobicContact CG2-CZ 4.11Å; I136-M248 HydrophobicContact CG2-SD 4.02Å
137	S	98.4	Very high	98.3	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.2	-37.4	177.3	-56.1	0	0	0	0	112.3	Y133 Y134 A141 G171	Y133-S137 WeakPolarHBondContact CD2-OG 3.4Å; Y133-S137 VanDerWaalsContact CE2-OG 3.28Å; Y133-S137 WeakPolarHBondContact CE2-OG 3.37Å; Y133-S137 WeakPolarHBondContact O-CB 3.25Å; Y133-S137 PolarHBondContact O-N 2.82Å; Y133-S137 PolarHBondContact O-OG 3.34Å; Y134-S137 PolarHBondContact O-N 3.07Å; S137-A141 WeakPolarHBondContact O-CB 3.5Å; S137-A141 PolarHBondContact O-N 3.05Å; S137-G171 VanDerWaalsContact O-CA 3.23Å; S137-G171 WeakPolarHBondContact O-CA 3.49Å
138	R	98.2	Very high	98.3	Very high	15 Å²	15	28.7 Å²	28.7	6%	0.057	14%	0.139	C	C	.	.	H	α-helix	trans	-64.1	-48.5	170.6	-73.2	-174.7	67.7	99.3	-4	112	Y134 L135 I136 V140 A141 K142 F174 E256 L259 D260	Y134-R138 VanDerWaalsContact CE1-CD 3.48Å; Y134-R138 HydrophobicContact CE1-CG 4.28Å; Y134-R138 PolarHBondContact O-N 3.5Å; Y134-R138 PolarHBondContact OH-NH1 3.42Å; L135-R138 PolarHBondContact O-N 2.91Å; I136-R138 VanDerWaalsContact C-N 3.29Å; I136-R138 PolarHBondContact O-N 2.57Å; R138-V140 VanDerWaalsContact C-N 3.28Å; R138-V140 PolarHBondContact O-N 3.46Å; R138-A141 WeakPolarHBondContact O-CB 3.25Å; R138-A141 PolarHBondContact O-N 3.38Å; R138-A141 VanDerWaalsContact O-N 3.13Å; R138-K142 WeakPolarHBondContact O-CG 3.49Å; R138-K142 PolarHBondContact O-N 2.99Å; R138-F174 HydrophobicContact CG-CD2 3.89Å; R138-F174 HydrophobicContact CG-CE2 4.01Å; R138-E256 IonicContact CZ-OE2 2.62Å; R138-E256 VanDerWaalsContact CZ-OE2 3.28Å; R138-E256 IonicContact NE-OE2 3.78Å; R138-E256 PolarHBondContact NE-OE2 3.33Å; R138-E256 IonicContact NH2-OE2 3.6Å; R138-E256 PolarHBondContact NH2-OE2 2.81Å; R138-L259 HydrophobicContact CB-CD2 4Å; R138-L259 HydrophobicContact CG-CD2 4.06Å; R138-D260 IonicContact CZ-OD1 3.85Å; R138-D260 IonicContact NH1-OD1 2.68Å; R138-D260 PolarHBondContact NH1-OD1 3.47Å; R138-D260 VanDerWaalsContact NH2-CG 3.32Å; R138-D260 IonicContact NH2-OD1 3.79Å; R138-D260 PolarHBondContact NH2-OD1 3.28Å; R138-D260 IonicContact NH2-OD2 3.8Å; R138-D260 PolarHBondContact NH2-OD2 2.6Å
139	K	98.1	Very high	98.3	Very high	73 Å²	73	28.9 Å²	28.9	32%	0.317	14%	0.14	S	C	.	.	H	α-helix	trans	-54.6	-45.4	176.2	-70.7	176.9	-177.7	-178.1	0	111.5	L135 I136 K142 G143 M248	L135-K139 WeakPolarHBondContact O-CG 3.31Å; L135-K139 PolarHBondContact O-N 2.92Å; I136-K139 WeakPolarHBondContact O-CB 3.4Å; I136-K139 PolarHBondContact O-N 3.36Å; I136-K139 VanDerWaalsContact O-N 3.09Å; K139-K142 PolarHBondContact O-N 2.92Å; K139-G143 PolarHBondContact O-N 2.79Å; K139-M248 HydrophobicContact CB-CB 4.49Å; K139-M248 HydrophobicContact CB-CG 4.31Å
140	V	98.6	Very high	98.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.4	-42.3	176.7	168.6	0	0	0	0	112	I136 R138 K142 G143 F144 F167 M244 L247 M248	I136-V140 HydrophobicContact CG2-CG2 4.41Å; I136-V140 WeakPolarHBondContact O-CG2 3.42Å; I136-V140 PolarHBondContact O-N 3.28Å; R138-V140 VanDerWaalsContact C-N 3.28Å; R138-V140 PolarHBondContact O-N 3.46Å; V140-K142 PolarHBondContact O-N 3.06Å; V140-G143 PolarHBondContact O-N 3.02Å; V140-F144 HydrophobicContact CG1-CD2 3.96Å; V140-F144 HydrophobicContact CG1-CE1 4.41Å; V140-F144 HydrophobicContact CG1-CE2 3.31Å; V140-F144 HydrophobicContact CG1-CZ 3.57Å; V140-F144 WeakPolarHBondContact O-CD2 3.19Å; V140-F144 WeakPolarHBondContact O-CG 3.44Å; V140-F144 PolarHBondContact O-N 3.1Å; V140-F167 HydrophobicContact CG2-CB 4.07Å; V140-M244 HydrophobicContact CG2-SD 3.83Å; V140-L247 HydrophobicContact CG1-CD2 4.01Å; V140-L247 HydrophobicContact CG2-CD2 4.43Å; V140-M248 HydrophobicContact CG2-CG 3.94Å; V140-M248 HydrophobicContact CG2-SD 4.45Å
141	A	98.7	Very high	98.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-57.1	-47.1	173	0	0	0	0	0	112.5	S137 R138 G143 F144 L145 G171 F174 A175 L259	S137-A141 WeakPolarHBondContact O-CB 3.5Å; S137-A141 PolarHBondContact O-N 3.05Å; R138-A141 WeakPolarHBondContact O-CB 3.25Å; R138-A141 PolarHBondContact O-N 3.38Å; R138-A141 VanDerWaalsContact O-N 3.13Å; A141-G143 VanDerWaalsContact C-N 3.33Å; A141-G143 PolarHBondContact O-N 2.91Å; A141-F144 PolarHBondContact O-N 3.36Å; A141-L145 WeakPolarHBondContact O-CG 3.43Å; A141-L145 PolarHBondContact O-N 2.97Å; A141-L145 VanDerWaalsContact O-N 3.09Å; A141-G171 WeakPolarHBondContact CA-O 3.33Å; A141-G171 WeakPolarHBondContact CB-O 3.18Å; A141-F174 HydrophobicContact CB-CB 3.81Å; A141-A175 HydrophobicContact CB-CB 4.16Å; A141-L259 HydrophobicContact CB-CD1 3.78Å; A141-L259 HydrophobicContact CB-CD2 3.98Å
142	K	98.6	Very high	97.9	Very high	11 Å²	11	32.9 Å²	32.9	5%	0.048	16%	0.157	C	C	.	.	H	α-helix	trans	-63.3	-39.3	176.6	-60	-160.8	-61.1	165.4	0	111.7	R138 K139 V140 L145 K146 G251 M254 E256 L259	R138-K142 WeakPolarHBondContact O-CG 3.49Å; R138-K142 PolarHBondContact O-N 2.99Å; K139-K142 PolarHBondContact O-N 2.92Å; V140-K142 PolarHBondContact O-N 3.06Å; K142-L145 PolarHBondContact O-N 2.82Å; K142-K146 PolarHBondContact O-N 3.18Å; K142-G251 WeakPolarHBondContact CB-O 3.46Å; K142-G251 WeakPolarHBondContact CE-O 3.36Å; K142-G251 PolarHBondContact NZ-O 3.13Å; K142-G251 VanDerWaalsContact NZ-O 3.09Å; K142-M254 HydrophobicContact CB-CB 4.23Å; K142-M254 HydrophobicContact CB-CE 3.84Å; K142-M254 HydrophobicContact CD-CB 4.36Å; K142-M254 HydrophobicContact CD-CE 4Å; K142-M254 WeakPolarHBondContact CD-O 3.36Å; K142-M254 HydrophobicContact CG-CE 3.62Å; K142-M254 PolarHBondContact NZ-O 2.96Å; K142-E256 WeakPolarHBondContact CE-OE1 3.44Å; K142-E256 IonicContact NZ-OE1 2.64Å; K142-E256 PolarHBondContact NZ-OE1 3.29Å; K142-L259 HydrophobicContact CD-CD2 4.44Å; K142-L259 HydrophobicContact CG-CB 4.18Å; K142-L259 HydrophobicContact CG-CD2 3.79Å
143	G	98.4	Very high	97.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.5	-48	173.3	0	0	0	0	0	112.5	K139 V140 A141 L145 K146 L147 L247	K139-G143 PolarHBondContact O-N 2.79Å; V140-G143 PolarHBondContact O-N 3.02Å; A141-G143 VanDerWaalsContact C-N 3.33Å; A141-G143 PolarHBondContact O-N 2.91Å; G143-L145 VanDerWaalsContact C-N 3.34Å; G143-L145 PolarHBondContact O-N 2.88Å; G143-K146 WeakPolarHBondContact O-CB 3.37Å; G143-K146 PolarHBondContact O-N 2.85Å; G143-K146 VanDerWaalsContact O-N 3.14Å; G143-L147 WeakPolarHBondContact O-CG 3.22Å; G143-L147 PolarHBondContact O-N 2.74Å; G143-L247 VanDerWaalsContact C-CD1 3.4Å; G143-L247 WeakPolarHBondContact CA-O 3.5Å
144	F	98.6	Very high	97.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.3	-39.8	177.5	-66	-39.6	0	0	0	112.7	V140 A141 K146 L147 G148 L149 V155 S168 T172 V202 V204 L247	V140-F144 HydrophobicContact CG1-CD2 3.96Å; V140-F144 HydrophobicContact CG1-CE1 4.41Å; V140-F144 HydrophobicContact CG1-CE2 3.31Å; V140-F144 HydrophobicContact CG1-CZ 3.57Å; V140-F144 WeakPolarHBondContact O-CD2 3.19Å; V140-F144 WeakPolarHBondContact O-CG 3.44Å; V140-F144 PolarHBondContact O-N 3.1Å; A141-F144 PolarHBondContact O-N 3.36Å; F144-K146 VanDerWaalsContact C-N 3.32Å; F144-K146 PolarHBondContact O-N 3.11Å; F144-L147 CarbonylContact O-C 3.59Å; F144-L147 PolarHBondContact O-N 2.9Å; F144-G148 PolarHBondContact O-N 2.81Å; F144-G148 VanDerWaalsContact O-N 3.14Å; F144-L149 HydrophobicContact CB-CB 4.02Å; F144-L149 HydrophobicContact CB-CD2 3.75Å; F144-L149 HydrophobicContact CG-CD2 4.44Å; F144-L149 VanDerWaalsContact O-CB 3.27Å; F144-L149 WeakPolarHBondContact O-CB 3.3Å; F144-L149 PolarHBondContact O-N 2.82Å; F144-V155 HydrophobicContact CD1-CG2 4.45Å; F144-V155 HydrophobicContact CD2-CG2 4.14Å; F144-V155 HydrophobicContact CE1-CG1 4.09Å; F144-V155 HydrophobicContact CE2-CG1 4.24Å; F144-V155 HydrophobicContact CE2-CG2 4.32Å; F144-V155 HydrophobicContact CG-CG2 4.22Å; F144-V155 HydrophobicContact CZ-CG1 3.87Å; F144-S168 WeakPolarHBondContact CE2-O 3.23Å; F144-T172 WeakPolarHBondContact CE2-OG1 3.46Å; F144-V202 HydrophobicContact CD1-CB 4.39Å; F144-V202 HydrophobicContact CD1-CG1 4.03Å; F144-V202 HydrophobicContact CD1-CG2 4.31Å; F144-V202 HydrophobicContact CE1-CG1 4Å; F144-V204 HydrophobicContact CE1-CG2 3.92Å; F144-V204 HydrophobicContact CZ-CG2 3.92Å; F144-L247 HydrophobicContact CD1-CD1 3.92Å; F144-L247 HydrophobicContact CD1-CD2 3.96Å; F144-L247 HydrophobicContact CE1-CD1 4.26Å; F144-L247 HydrophobicContact CE1-CD2 3.54Å; F144-L247 HydrophobicContact CZ-CD2 4.04Å
145	L	98.3	Very high	97.8	Very high	34 Å²	34	28.8 Å²	28.8	18%	0.178	14%	0.139	C	C	.	.	H	α-helix	trans	-63	-39.3	174.3	-69.8	165.1	0	0	0	111.5	A141 K142 G143 G148 A175 M254 L259 I262	A141-L145 WeakPolarHBondContact O-CG 3.43Å; A141-L145 PolarHBondContact O-N 2.97Å; A141-L145 VanDerWaalsContact O-N 3.09Å; K142-L145 PolarHBondContact O-N 2.82Å; G143-L145 VanDerWaalsContact C-N 3.34Å; G143-L145 PolarHBondContact O-N 2.88Å; L145-G148 WeakPolarHBondContact O-CA 3.46Å; L145-G148 PolarHBondContact O-N 3.07Å; L145-A175 HydrophobicContact CD1-CB 4.06Å; L145-A175 HydrophobicContact CD2-CB 4.12Å; L145-A175 HydrophobicContact CG-CB 3.82Å; L145-M254 HydrophobicContact CB-CE 4.38Å; L145-M254 HydrophobicContact CB-SD 3.87Å; L145-M254 HydrophobicContact CD1-CE 3.72Å; L145-M254 HydrophobicContact CD1-SD 4.23Å; L145-L259 HydrophobicContact CD1-CD1 3.99Å; L145-I262 HydrophobicContact CD1-CD1 3.54Å; L145-I262 HydrophobicContact CD2-CD1 3.74Å; L145-I262 HydrophobicContact CG-CD1 4.31Å
146	K	97.9	Very high	97.9	Very high	101 Å²	101	26 Å²	26	44%	0.439	12%	0.124	S	C	.	.	H	α-helix	trans	-65.9	-34.6	173.9	-173	68.8	-178.7	-139.8	0	113	K142 G143 F144 G148 L250 E253	K142-K146 PolarHBondContact O-N 3.18Å; G143-K146 WeakPolarHBondContact O-CB 3.37Å; G143-K146 PolarHBondContact O-N 2.85Å; G143-K146 VanDerWaalsContact O-N 3.14Å; F144-K146 VanDerWaalsContact C-N 3.32Å; F144-K146 PolarHBondContact O-N 3.11Å; K146-G148 PolarHBondContact O-N 3.12Å; K146-L250 HydrophobicContact CB-CB 4.46Å; K146-L250 HydrophobicContact CG-CB 4.08Å; K146-L250 HydrophobicContact CG-CD2 4.24Å; K146-E253 WeakPolarHBondContact CE-OE2 3.48Å; K146-E253 IonicContact NZ-OE2 3.71Å; K146-E253 PolarHBondContact NZ-OE2 2.98Å
147	L	97.8	Very high	97.9	Very high	18 Å²	18	24.9 Å²	24.9	9%	0.094	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	0.4	170.1	-63.7	-175.2	0	0	0	113.6	G143 F144 V202 A226 V228 Y242 L247 L250	G143-L147 WeakPolarHBondContact O-CG 3.22Å; G143-L147 PolarHBondContact O-N 2.74Å; F144-L147 CarbonylContact O-C 3.59Å; F144-L147 PolarHBondContact O-N 2.9Å; L147-V202 HydrophobicContact CB-CG2 4.26Å; L147-A226 HydrophobicContact CB-CB 4.17Å; L147-A226 HydrophobicContact CD1-CB 3.74Å; L147-A226 HydrophobicContact CD2-CB 4.22Å; L147-A226 HydrophobicContact CG-CB 4.28Å; L147-V228 HydrophobicContact CD1-CG2 3.94Å; L147-Y242 HydrophobicContact CD1-CD2 4.11Å; L147-Y242 HydrophobicContact CD1-CE2 4.45Å; L147-Y242 HydrophobicContact CD2-CD2 3.8Å; L147-Y242 HydrophobicContact CD2-CE1 4.2Å; L147-Y242 HydrophobicContact CD2-CE2 3.39Å; L147-Y242 HydrophobicContact CD2-CG 4.36Å; L147-L247 HydrophobicContact CD1-CD1 3.36Å; L147-L247 HydrophobicContact CG-CD1 3.97Å; L147-L250 HydrophobicContact CD2-CD1 3.87Å
148	G	97.4	Very high	97.8	Very high	26 Å²	26	24.9 Å²	24.9	27%	0.268	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	27.1	173.9	0	0	0	0	0	114.8	F144 L145 K146 E150 K225	F144-G148 PolarHBondContact O-N 2.81Å; F144-G148 VanDerWaalsContact O-N 3.14Å; L145-G148 WeakPolarHBondContact O-CA 3.46Å; L145-G148 PolarHBondContact O-N 3.07Å; K146-G148 PolarHBondContact O-N 3.12Å; G148-E150 PolarHBondContact O-N 3.24Å; G148-K225 VanDerWaalsContact O-CD 3.28Å; G148-K225 WeakPolarHBondContact O-CD 3.44Å; G148-K225 WeakPolarHBondContact O-CE 3.18Å; G148-K225 PolarHBondContact O-NZ 3.38Å
149	L	98.4	Very high	97.5	Very high	9 Å²	9	24.4 Å²	24.4	5%	0.047	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-56.5	122.1	167.3	176.7	62.3	0	0	0	110.3	F144 H153 V155 A175 N201	F144-L149 HydrophobicContact CB-CB 4.02Å; F144-L149 HydrophobicContact CB-CD2 3.75Å; F144-L149 HydrophobicContact CG-CD2 4.44Å; F144-L149 VanDerWaalsContact O-CB 3.27Å; F144-L149 WeakPolarHBondContact O-CB 3.3Å; F144-L149 PolarHBondContact O-N 2.82Å; L149-H153 HydrophobicContact CD1-CB 4.43Å; L149-V155 HydrophobicContact CD1-CG2 3.84Å; L149-V155 HydrophobicContact CD2-CG2 3.68Å; L149-V155 HydrophobicContact CG-CG2 4.35Å; L149-A175 HydrophobicContact CD2-CB 3.71Å; L149-N201 HydrophobicContact CD1-CB 4.17Å
150	E	97.4	Very high	97.1	Very high	92 Å²	92	22.3 Å²	22.3	43%	0.43	11%	0.109	S	C	.	.	P	Polyproline II helix	trans	-92	155.2	174.9	-71.7	172.3	-140.7	0	0	111.5	G148 A152 H153 N201 K225	G148-E150 PolarHBondContact O-N 3.24Å; E150-A152 PolarHBondContact O-N 2.73Å; E150-H153 HydrophobicContact CB-CB 4.26Å; E150-H153 WeakPolarHBondContact CB-ND1 3.19Å; E150-H153 WeakPolarHBondContact O-CB 3.38Å; E150-H153 PolarHBondContact O-N 2.91Å; E150-H153 IonicContact OE2-CE1 3.98Å; E150-H153 PolarHBondContact OE2-CE1 2.89Å; E150-H153 IonicContact OE2-ND1 3.34Å; E150-H153 IonicContact OE2-NE2 2.89Å; E150-N201 PolarHBondContact N-OD1 3.32Å; E150-K225 IonicContact OE1-NZ 3.83Å; E150-K225 PolarHBondContact OE1-NZ 3.23Å
151	R	94.9	Very high	96.9	Very high	114 Å²	114	22.7 Å²	22.7	43%	0.43	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	138.8	174.5	-170.4	179.9	-171.5	133.4	3.4	110.3	H153 G176 T265	R151-H153 PolarHBondContact O-N 3.29Å; R151-H153 VanDerWaalsContact O-N 3.07Å; R151-H153 PolarHBondContact O-ND1 2.72Å; R151-G176 WeakPolarHBondContact CA-O 3.35Å; R151-T265 PolarHBondContact NH1-OG1 2.87Å; R151-T265 PolarHBondContact NH2-O 2.98Å
152	A	93.5	Very high	96.8	Very high	12 Å²	12	23.4 Å²	23.4	10%	0.099	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	22.2	-179.3	0	0	0	0	0	115	D82 E150 G176 I178 R199	D82-A152 HydrophobicContact CB-CB 3.84Å; E150-A152 PolarHBondContact O-N 2.73Å; A152-G176 PolarHBondContact N-O 2.91Å; A152-G176 VanDerWaalsContact N-O 3.09Å; A152-I178 HydrophobicContact CB-CD1 4.29Å; A152-R199 PolarHBondContact O-NH2 2.85Å
153	H	98.1	Very high	96.7	Very high	18 Å²	18	23.1 Å²	23.1	8%	0.083	12%	0.115	C	C	.	.			trans	-101.4	160.9	159.8	-73	75.7	0	0	0	109.6	L149 E150 R151 G177 I178 R199 N201 H223	L149-H153 HydrophobicContact CD1-CB 4.43Å; E150-H153 HydrophobicContact CB-CB 4.26Å; E150-H153 WeakPolarHBondContact CB-ND1 3.19Å; E150-H153 WeakPolarHBondContact O-CB 3.38Å; E150-H153 PolarHBondContact O-N 2.91Å; E150-H153 IonicContact OE2-CE1 3.98Å; E150-H153 PolarHBondContact OE2-CE1 2.89Å; E150-H153 IonicContact OE2-ND1 3.34Å; E150-H153 IonicContact OE2-NE2 2.89Å; R151-H153 PolarHBondContact O-N 3.29Å; R151-H153 VanDerWaalsContact O-N 3.07Å; R151-H153 PolarHBondContact O-ND1 2.72Å; H153-G177 CarbonylContact O-C 3.55Å; H153-G177 VanDerWaalsContact O-CA 3.3Å; H153-G177 WeakPolarHBondContact O-CA 3.24Å; H153-I178 PolarHBondContact O-N 2.92Å; H153-R199 PolarHBondContact CD2-O 2.84Å; H153-N201 WeakPolarHBondContact CB-OD1 3.46Å; H153-H223 AromaticContact NE2-ND1 3.93Å
154	S	98.6	Very high	96.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	146.7	-170.3	-59.2	0	0	0	0	113.2	I178 T180 C198 R199 A200 N201	S154-I178 VanDerWaalsContact CA-O 3.23Å; S154-I178 WeakPolarHBondContact CA-O 3.29Å; S154-T180 WeakPolarHBondContact CB-OG1 3.35Å; S154-T180 PolarHBondContact OG-OG1 2.89Å; S154-C198 VanDerWaalsContact CB-O 3.3Å; S154-C198 WeakPolarHBondContact CB-O 3.49Å; S154-C198 WeakPolarHBondContact CB-SG 3.44Å; S154-C198 WeakPolarHBondContact OG-CB 3.3Å; S154-C198 PolarHBondContact OG-O 2.96Å; S154-R199 PolarHBondContact N-O 2.8Å; S154-A200 CarbonylContact O-C 3.6Å; S154-A200 WeakPolarHBondContact O-CA 3.47Å; S154-N201 PolarHBondContact O-N 2.81Å
155	V	98.9	Very high	96.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	114	151.8	-179.7	0	0	0	0	106.2	F144 L149 I157 T172 I178 T180 V202 V204	F144-V155 HydrophobicContact CD1-CG2 4.45Å; F144-V155 HydrophobicContact CD2-CG2 4.14Å; F144-V155 HydrophobicContact CE1-CG1 4.09Å; F144-V155 HydrophobicContact CE2-CG1 4.24Å; F144-V155 HydrophobicContact CE2-CG2 4.32Å; F144-V155 HydrophobicContact CG-CG2 4.22Å; F144-V155 HydrophobicContact CZ-CG1 3.87Å; L149-V155 HydrophobicContact CD1-CG2 3.84Å; L149-V155 HydrophobicContact CD2-CG2 3.68Å; L149-V155 HydrophobicContact CG-CG2 4.35Å; V155-I157 HydrophobicContact CG1-CG1 4.5Å; V155-T172 HydrophobicContact CB-CG2 3.76Å; V155-T172 WeakPolarHBondContact CB-OG1 3.33Å; V155-T172 HydrophobicContact CG2-CG2 3.7Å; V155-T172 VanDerWaalsContact CG2-OG1 3.3Å; V155-T172 WeakPolarHBondContact CG2-OG1 3.09Å; V155-I178 PolarHBondContact N-O 3.43Å; V155-T180 PolarHBondContact O-N 3.04Å; V155-V202 WeakPolarHBondContact CA-O 3.34Å; V155-V202 HydrophobicContact CG1-CB 4.27Å; V155-V202 HydrophobicContact CG1-CG1 4.49Å; V155-V202 HydrophobicContact CG2-CB 4.28Å; V155-V204 HydrophobicContact CG1-CG2 3.74Å
156	A	98.6	Very high	96.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	137.1	176.5	0	0	0	0	0	110.2	T180 I182 A200 V202 I203 V204	A156-T180 CarbonylContact C-O 3.53Å; A156-T180 WeakPolarHBondContact CA-O 3.27Å; A156-I182 HydrophobicContact CB-CD1 3.88Å; A156-I182 HydrophobicContact CB-CG1 4.27Å; A156-A200 HydrophobicContact CB-CB 4.21Å; A156-V202 PolarHBondContact N-O 3.35Å; A156-I203 HydrophobicContact CB-CG1 4.15Å; A156-I203 HydrophobicContact CB-CG2 4.39Å; A156-I203 CarbonylContact O-C 3.51Å; A156-I203 VanDerWaalsContact O-CA 3.28Å; A156-I203 WeakPolarHBondContact O-CA 3.34Å; A156-V204 PolarHBondContact O-N 2.72Å
157	I	98.6	Very high	96.7	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	113.4	-177.1	-47.6	171.9	0	0	0	108.7	V155 W165 A169 V179 T180 I182 V204	V155-I157 HydrophobicContact CG1-CG1 4.5Å; I157-W165 HydrophobicContact CB-CZ2 4.2Å; I157-W165 HydrophobicContact CD1-CD2 4.15Å; I157-W165 HydrophobicContact CD1-CE3 4.33Å; I157-W165 HydrophobicContact CD1-CH2 4.18Å; I157-W165 HydrophobicContact CD1-CZ2 4.01Å; I157-W165 HydrophobicContact CD1-CZ3 4.37Å; I157-W165 HydrophobicContact CG2-CD2 4.13Å; I157-W165 HydrophobicContact CG2-CG 3.83Å; I157-W165 VanDerWaalsContact CG2-NE1 3.31Å; I157-A169 HydrophobicContact CD1-CB 4.08Å; I157-V179 HydrophobicContact CD1-CG1 4.06Å; I157-T180 PolarHBondContact N-O 3.19Å; I157-I182 PolarHBondContact O-N 3.26Å; I157-V204 HydrophobicContact CG1-CB 4.46Å; I157-V204 HydrophobicContact CG2-CB 4.28Å
158	L	95.8	Very high	96.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	79.3	-178.4	175.2	60.6	0	0	0	109	I182 Y183 V204 V205 D206 Q210 I214	L158-I182 HydrophobicContact CB-CB 4.21Å; L158-I182 HydrophobicContact CD1-CB 4Å; L158-I182 HydrophobicContact CD1-CG2 3.86Å; L158-Y183 VanDerWaalsContact CD1-O 3.25Å; L158-Y183 WeakPolarHBondContact CD1-O 3.41Å; L158-V204 PolarHBondContact N-O 3.26Å; L158-V205 HydrophobicContact CB-CG1 4.28Å; L158-V205 HydrophobicContact CD2-CG1 4.47Å; L158-V205 WeakPolarHBondContact O-CA 3.34Å; L158-D206 PolarHBondContact O-N 2.92Å; L158-Q210 HydrophobicContact CD2-CB 4.08Å; L158-Q210 HydrophobicContact CG-CB 4.1Å; L158-Q210 HydrophobicContact CG-CG 4.16Å; L158-I214 HydrophobicContact CD2-CD1 3.87Å; L158-I214 HydrophobicContact CD2-CG1 4.25Å
159	G	92.1	Very high	96.8	Very high	5 Å²	5	16 Å²	16	5%	0.052	8%	0.075	C	C	.	.	S	Bend	trans	-162	163.9	179.4	0	0	0	0	0	113.1	D206	G159-D206 WeakPolarHBondContact CA-OD2 3.44Å
160	F	90.8	Very high	96.8	Very high	29 Å²	29	15.5 Å²	15.5	13%	0.127	7%	0.073	C	C	.	.			trans	-68.9	165.7	171.3	-161.8	-101.1	0	0	0	111.5	S162 D206 Y230 P348	F160-S162 PolarHBondContact O-N 3.32Å; F160-D206 PolarHBondContact N-OD2 3.11Å; F160-Y230 PolarHBondContact O-OH 3.12Å; F160-Y230 VanDerWaalsContact O-OH 3.1Å; F160-P348 HydrophobicContact CD1-CB 4.2Å; F160-P348 HydrophobicContact CD1-CG 4.38Å; F160-P348 HydrophobicContact CG-CB 4.41Å
161	N	93.9	Very high	96.9	Very high	8 Å²	8	11.1 Å²	11.1	4%	0.043	5%	0.052	C	C	.	.	S	Bend	trans	-63.5	121.1	-176.1	-61	25.7	0	0	0	110.8	S319 Y320 L321 L323 F345	N161-S319 PolarHBondContact ND2-OG 2.8Å; N161-Y320 PolarHBondContact ND2-N 3.03Å; N161-L321 PolarHBondContact ND2-O 3.46Å; N161-L321 PolarHBondContact OD1-O 3.19Å; N161-L323 HydrophobicContact CB-CD1 3.89Å; N161-L323 HydrophobicContact CB-CG 4.43Å; N161-F345 VanDerWaalsContact C-CD1 3.5Å; N161-F345 HydrophobicContact CB-CD1 3.94Å; N161-F345 HydrophobicContact CB-CE1 4.31Å
162	S	95.8	Very high	97	Very high	15 Å²	15	5.7 Å²	5.7	11%	0.105	3%	0.032	C	C	.	.			trans	-154.5	167.5	179.6	83.4	0	0	0	0	111.7	F160 E164 W165 F166 Y230 F345	F160-S162 PolarHBondContact O-N 3.32Å; S162-E164 WeakPolarHBondContact CB-OE2 3.14Å; S162-E164 PolarHBondContact O-N 2.95Å; S162-E164 PolarHBondContact OG-N 3.32Å; S162-E164 PolarHBondContact OG-OE2 2.71Å; S162-W165 WeakPolarHBondContact O-CB 3.43Å; S162-W165 PolarHBondContact O-N 3Å; S162-W165 PolarHBondContact OG-N 3Å; S162-F166 PolarHBondContact O-N 3.43Å; S162-Y230 WeakPolarHBondContact OG-CE2 3.5Å; S162-F345 VanDerWaalsContact C-CE1 3.48Å; S162-F345 VanDerWaalsContact C-CZ 3.41Å; S162-F345 WeakPolarHBondContact O-CE1 2.98Å; S162-F345 WeakPolarHBondContact O-CZ 3.44Å
163	P	97.2	Very high	97.3	Very high	4 Å²	4	5.1 Å²	5.1	3%	0.026	3%	0.027	C	C	.	.	H	α-helix	trans	-56.6	-37	172.1	-22.2	32.9	0	0	0	112.7	L117 F119 I128 W165 F166 F167 F345	L117-P163 HydrophobicContact CD1-CB 4.13Å; F119-P163 HydrophobicContact CB-CG 3.83Å; F119-P163 HydrophobicContact CD1-CG 3.66Å; F119-P163 HydrophobicContact CD2-CG 4.31Å; F119-P163 HydrophobicContact CE1-CG 4.32Å; F119-P163 HydrophobicContact CG-CG 3.67Å; I128-P163 HydrophobicContact CD1-CB 4.48Å; P163-W165 VanDerWaalsContact C-N 3.34Å; P163-W165 PolarHBondContact O-N 2.89Å; P163-F166 CarbonylContact O-C 3.56Å; P163-F166 WeakPolarHBondContact O-CA 3.34Å; P163-F166 VanDerWaalsContact O-CB 3.29Å; P163-F166 WeakPolarHBondContact O-CB 3.39Å; P163-F166 PolarHBondContact O-N 3.07Å; P163-F167 HydrophobicContact CB-CE1 4.1Å; P163-F167 HydrophobicContact CB-CE2 3.73Å; P163-F167 HydrophobicContact CB-CZ 3.41Å; P163-F167 VanDerWaalsContact CB-CZ 3.41Å; P163-F167 VanDerWaalsContact O-CD1 3.23Å; P163-F167 WeakPolarHBondContact O-CD1 3.4Å; P163-F167 VanDerWaalsContact O-CD2 3.31Å; P163-F167 WeakPolarHBondContact O-CD2 3.35Å; P163-F167 WeakPolarHBondContact O-CG 3.17Å; P163-F167 PolarHBondContact O-N 2.92Å; P163-F345 HydrophobicContact CB-CE2 4.25Å; P163-F345 HydrophobicContact CG-CD2 3.81Å; P163-F345 HydrophobicContact CG-CE2 3.75Å
164	E	97.5	Very high	97.3	Very high	26 Å²	26	4.3 Å²	4.3	12%	0.121	2%	0.023	C	C	.	.	H	α-helix	trans	-69.8	-30.4	-179	-54.1	80.7	-168.5	0	0	112.5	S162 F166 F167 S168 Y230 M244	S162-E164 WeakPolarHBondContact CB-OE2 3.14Å; S162-E164 PolarHBondContact O-N 2.95Å; S162-E164 PolarHBondContact OG-N 3.32Å; S162-E164 PolarHBondContact OG-OE2 2.71Å; E164-F166 VanDerWaalsContact C-N 3.35Å; E164-F167 HydrophobicContact CB-CD2 4.4Å; E164-F167 HydrophobicContact CG-CD2 4.3Å; E164-F167 HydrophobicContact CG-CE2 4.36Å; E164-S168 VanDerWaalsContact O-CB 3.22Å; E164-S168 WeakPolarHBondContact O-CB 3.48Å; E164-S168 PolarHBondContact O-N 3.28Å; E164-S168 PolarHBondContact O-OG 2.93Å; E164-Y230 HydrophobicContact CB-CD1 4.19Å; E164-Y230 HydrophobicContact CB-CD2 3.6Å; E164-Y230 HydrophobicContact CB-CE2 4.06Å; E164-Y230 HydrophobicContact CB-CG 3.65Å; E164-Y230 HydrophobicContact CG-CD2 3.92Å; E164-Y230 HydrophobicContact CG-CG 4.13Å; E164-M244 HydrophobicContact CB-CE 4Å; E164-M244 HydrophobicContact CG-CG 4.33Å
165	W	97.8	Very high	97.3	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-59.4	-49.3	166.8	-160.8	113.9	0	0	0	110	I157 S162 P163 S168 A169 V179 L323 Q329 L333	I157-W165 HydrophobicContact CB-CZ2 4.2Å; I157-W165 HydrophobicContact CD1-CD2 4.15Å; I157-W165 HydrophobicContact CD1-CE3 4.33Å; I157-W165 HydrophobicContact CD1-CH2 4.18Å; I157-W165 HydrophobicContact CD1-CZ2 4.01Å; I157-W165 HydrophobicContact CD1-CZ3 4.37Å; I157-W165 HydrophobicContact CG2-CD2 4.13Å; I157-W165 HydrophobicContact CG2-CG 3.83Å; I157-W165 VanDerWaalsContact CG2-NE1 3.31Å; S162-W165 WeakPolarHBondContact O-CB 3.43Å; S162-W165 PolarHBondContact O-N 3Å; S162-W165 PolarHBondContact OG-N 3Å; P163-W165 VanDerWaalsContact C-N 3.34Å; P163-W165 PolarHBondContact O-N 2.89Å; W165-S168 WeakPolarHBondContact O-CB 3.3Å; W165-S168 PolarHBondContact O-N 3.31Å; W165-A169 HydrophobicContact CE3-CB 3.75Å; W165-A169 HydrophobicContact CH2-CB 4.05Å; W165-A169 HydrophobicContact CZ3-CB 3.29Å; W165-A169 PolarHBondContact O-N 3.4Å; W165-V179 HydrophobicContact CH2-CG1 3.88Å; W165-V179 HydrophobicContact CZ3-CG1 4.46Å; W165-L323 HydrophobicContact CB-CD1 4.08Å; W165-L323 HydrophobicContact CD2-CB 3.8Å; W165-L323 HydrophobicContact CD2-CD1 3.53Å; W165-L323 HydrophobicContact CD2-CG 4.28Å; W165-L323 VanDerWaalsContact CE2-CB 3.46Å; W165-L323 HydrophobicContact CE3-CB 4.11Å; W165-L323 HydrophobicContact CE3-CD1 3.76Å; W165-L323 HydrophobicContact CE3-CG 4.42Å; W165-L323 HydrophobicContact CG-CB 4.43Å; W165-L323 HydrophobicContact CG-CD1 3.61Å; W165-L323 HydrophobicContact CH2-CB 3.99Å; W165-L323 HydrophobicContact CZ2-CB 3.61Å; W165-L323 HydrophobicContact CZ3-CB 4.18Å; W165-Q329 HydrophobicContact CH2-CG 4.26Å; W165-L333 HydrophobicContact CZ3-CD2 3.93Å
166	F	98.6	Very high	97.2	Very high	2 Å²	2	5 Å²	5	1%	0.009	3%	0.03	C	C	.	.	H	α-helix	trans	-63.6	-42.3	-179.7	-89.4	45.7	0	0	0	112.7	L117 Y133 S162 P163 E164 V170 L323 D332 L333 V343 F345	L117-F166 HydrophobicContact CD1-CB 4.42Å; L117-F166 HydrophobicContact CD1-CD2 4.43Å; L117-F166 HydrophobicContact CD2-CD2 3.59Å; L117-F166 HydrophobicContact CD2-CE2 3.86Å; Y133-F166 HydrophobicContact CE1-CD2 4.27Å; Y133-F166 HydrophobicContact CE2-CB 4.04Å; Y133-F166 AromaticContact CZ-CD2 3.95Å; Y133-F166 WeakPolarHBondContact OH-CB 3.38Å; Y133-F166 WeakPolarHBondContact OH-CD2 3.33Å; Y133-F166 PolarHBondContact OH-O 2.85Å; S162-F166 PolarHBondContact O-N 3.43Å; P163-F166 CarbonylContact O-C 3.56Å; P163-F166 WeakPolarHBondContact O-CA 3.34Å; P163-F166 VanDerWaalsContact O-CB 3.29Å; P163-F166 WeakPolarHBondContact O-CB 3.39Å; P163-F166 PolarHBondContact O-N 3.07Å; E164-F166 VanDerWaalsContact C-N 3.35Å; F166-V170 WeakPolarHBondContact O-CG2 3.43Å; F166-V170 PolarHBondContact O-N 3.21Å; F166-V170 VanDerWaalsContact O-N 3.1Å; F166-L323 HydrophobicContact CD1-CD1 4.03Å; F166-L323 HydrophobicContact CE1-CD1 3.71Å; F166-L323 HydrophobicContact CE1-CD2 3.91Å; F166-L323 HydrophobicContact CE1-CG 4.49Å; F166-D332 HydrophobicContact CZ-CB 3.93Å; F166-L333 HydrophobicContact CD1-CD1 4.44Å; F166-L333 HydrophobicContact CD2-CB 4.41Å; F166-L333 HydrophobicContact CD2-CD1 3.54Å; F166-L333 HydrophobicContact CE1-CB 4.02Å; F166-L333 HydrophobicContact CE2-CB 3.86Å; F166-L333 HydrophobicContact CE2-CD1 3.78Å; F166-L333 HydrophobicContact CE2-CG 4.43Å; F166-L333 HydrophobicContact CG-CD1 3.91Å; F166-L333 HydrophobicContact CZ-CB 3.63Å; F166-L333 HydrophobicContact CZ-CD1 4.31Å; F166-V343 HydrophobicContact CE2-CB 4.43Å; F166-V343 HydrophobicContact CE2-CG1 4.14Å; F166-V343 HydrophobicContact CE2-CG2 4.28Å; F166-V343 HydrophobicContact CZ-CG1 3.99Å; F166-F345 AromaticContact CD1-CE1 3.93Å; F166-F345 HydrophobicContact CD1-CE1 3.93Å; F166-F345 AromaticContact CD1-CZ 3.71Å; F166-F345 HydrophobicContact CD1-CZ 3.71Å; F166-F345 HydrophobicContact CD2-CZ 4.13Å; F166-F345 AromaticContact CE1-CE1 3.72Å; F166-F345 HydrophobicContact CE1-CE1 3.72Å; F166-F345 AromaticContact CE1-CZ 3.78Å; F166-F345 HydrophobicContact CE1-CZ 3.78Å; F166-F345 HydrophobicContact CE2-CZ 4.17Å; F166-F345 AromaticContact CG-CZ 3.91Å; F166-F345 HydrophobicContact CG-CZ 3.91Å; F166-F345 HydrophobicContact CZ-CE1 4.17Å; F166-F345 HydrophobicContact CZ-CZ 4Å
167	F	98.4	Very high	97.2	Very high	1 Å²	1	5.1 Å²	5.1	0%	0.004	3%	0.031	C	C	.	.	H	α-helix	trans	-63.1	-43.2	174.3	-50.4	-30.3	0	0	0	111.2	L117 I128 Y133 I136 V140 P163 E164 G171	L117-F167 HydrophobicContact CD1-CE1 3.73Å; L117-F167 HydrophobicContact CD1-CZ 4.33Å; I128-F167 HydrophobicContact CD1-CE1 4.37Å; I128-F167 HydrophobicContact CD1-CZ 3.64Å; Y133-F167 AromaticContact CD2-CD1 3.51Å; Y133-F167 HydrophobicContact CD2-CD1 3.51Å; Y133-F167 AromaticContact CD2-CE1 3.63Å; Y133-F167 HydrophobicContact CD2-CE1 3.63Å; Y133-F167 AromaticContact CE2-CD1 3.69Å; Y133-F167 HydrophobicContact CE2-CD1 3.69Å; Y133-F167 HydrophobicContact CE2-CE1 4.15Å; Y133-F167 HydrophobicContact CG-CE1 4.5Å; I136-F167 HydrophobicContact CB-CD1 4.27Å; I136-F167 HydrophobicContact CB-CE1 4.41Å; I136-F167 HydrophobicContact CB-CG 4.45Å; I136-F167 HydrophobicContact CD1-CE1 4.3Å; I136-F167 HydrophobicContact CD1-CZ 4.07Å; I136-F167 HydrophobicContact CG2-CB 4.03Å; I136-F167 HydrophobicContact CG2-CD1 3.75Å; I136-F167 HydrophobicContact CG2-CD2 3.46Å; I136-F167 VanDerWaalsContact CG2-CD2 3.46Å; I136-F167 HydrophobicContact CG2-CE1 4.07Å; I136-F167 HydrophobicContact CG2-CE2 3.82Å; I136-F167 HydrophobicContact CG2-CG 3.46Å; I136-F167 VanDerWaalsContact CG2-CG 3.46Å; I136-F167 HydrophobicContact CG2-CZ 4.11Å; V140-F167 HydrophobicContact CG2-CB 4.07Å; P163-F167 HydrophobicContact CB-CE1 4.1Å; P163-F167 HydrophobicContact CB-CE2 3.73Å; P163-F167 HydrophobicContact CB-CZ 3.41Å; P163-F167 VanDerWaalsContact CB-CZ 3.41Å; P163-F167 VanDerWaalsContact O-CD1 3.23Å; P163-F167 WeakPolarHBondContact O-CD1 3.4Å; P163-F167 VanDerWaalsContact O-CD2 3.31Å; P163-F167 WeakPolarHBondContact O-CD2 3.35Å; P163-F167 WeakPolarHBondContact O-CG 3.17Å; P163-F167 PolarHBondContact O-N 2.92Å; E164-F167 HydrophobicContact CB-CD2 4.4Å; E164-F167 HydrophobicContact CG-CD2 4.3Å; E164-F167 HydrophobicContact CG-CE2 4.36Å; F167-G171 WeakPolarHBondContact O-CA 3.38Å; F167-G171 PolarHBondContact O-N 2.98Å
168	S	98.8	Very high	97.2	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-63.3	-45.1	178.9	-61.1	0	0	0	0	111.4	F144 E164 W165 T172 M244	F144-S168 WeakPolarHBondContact CE2-O 3.23Å; E164-S168 VanDerWaalsContact O-CB 3.22Å; E164-S168 WeakPolarHBondContact O-CB 3.48Å; E164-S168 PolarHBondContact O-N 3.28Å; E164-S168 PolarHBondContact O-OG 2.93Å; W165-S168 WeakPolarHBondContact O-CB 3.3Å; W165-S168 PolarHBondContact O-N 3.31Å; S168-T172 VanDerWaalsContact O-CB 3.27Å; S168-T172 WeakPolarHBondContact O-CB 3.46Å; S168-T172 PolarHBondContact O-N 3.45Å; S168-T172 PolarHBondContact O-OG1 2.67Å; S168-M244 WeakPolarHBondContact OG-CE 3.19Å
169	A	98.7	Very high	97.4	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-65.3	-52	179.5	0	0	0	0	0	112.5	I157 W165 G171 T172 V173 V179 L333	I157-A169 HydrophobicContact CD1-CB 4.08Å; W165-A169 HydrophobicContact CE3-CB 3.75Å; W165-A169 HydrophobicContact CH2-CB 4.05Å; W165-A169 HydrophobicContact CZ3-CB 3.29Å; W165-A169 PolarHBondContact O-N 3.4Å; A169-G171 PolarHBondContact O-N 2.9Å; A169-T172 WeakPolarHBondContact O-CB 3.27Å; A169-T172 PolarHBondContact O-N 3.19Å; A169-V173 PolarHBondContact O-N 2.87Å; A169-V179 HydrophobicContact CB-CG1 3.81Å; A169-V179 HydrophobicContact CB-CG2 4.08Å; A169-V179 WeakPolarHBondContact O-CG2 3.21Å; A169-L333 HydrophobicContact CB-CD2 4.03Å
170	V	98.8	Very high	97.7	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-64.4	-43.1	178.9	176.8	0	0	0	0	111	F104 Y133 F166 T172 V173 F174 L333 W334 I337	F104-V170 HydrophobicContact CD1-CG1 3.74Å; F104-V170 HydrophobicContact CD1-CG2 4.41Å; F104-V170 HydrophobicContact CE1-CG1 3.83Å; F104-V170 HydrophobicContact CE1-CG2 4.21Å; Y133-V170 HydrophobicContact CE2-CG2 4.28Å; Y133-V170 WeakPolarHBondContact OH-CG2 3.3Å; F166-V170 WeakPolarHBondContact O-CG2 3.43Å; F166-V170 PolarHBondContact O-N 3.21Å; F166-V170 VanDerWaalsContact O-N 3.1Å; V170-T172 VanDerWaalsContact C-N 3.31Å; V170-T172 PolarHBondContact O-N 3.31Å; V170-V173 PolarHBondContact O-N 3.09Å; V170-F174 HydrophobicContact CG1-CD1 3.92Å; V170-F174 HydrophobicContact CG1-CD2 4.16Å; V170-F174 HydrophobicContact CG1-CE1 3.4Å; V170-F174 VanDerWaalsContact CG1-CE1 3.4Å; V170-F174 HydrophobicContact CG1-CE2 3.7Å; V170-F174 HydrophobicContact CG1-CG 4.28Å; V170-F174 HydrophobicContact CG1-CZ 3.29Å; V170-F174 WeakPolarHBondContact O-CD1 3.24Å; V170-F174 WeakPolarHBondContact O-CG 3.46Å; V170-F174 PolarHBondContact O-N 2.87Å; V170-L333 HydrophobicContact CG2-CD1 4.13Å; V170-W334 HydrophobicContact CG2-CH2 4.46Å; V170-W334 HydrophobicContact CG2-CZ3 4.11Å; V170-I337 HydrophobicContact CG2-CD1 3.97Å
171	G	98.6	Very high	97.8	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-61.7	-36.6	177.9	0	0	0	0	0	113.3	S137 A141 F167 A169 F174 A175	S137-G171 VanDerWaalsContact O-CA 3.23Å; S137-G171 WeakPolarHBondContact O-CA 3.49Å; A141-G171 WeakPolarHBondContact CA-O 3.33Å; A141-G171 WeakPolarHBondContact CB-O 3.18Å; F167-G171 WeakPolarHBondContact O-CA 3.38Å; F167-G171 PolarHBondContact O-N 2.98Å; A169-G171 PolarHBondContact O-N 2.9Å; G171-F174 PolarHBondContact O-N 3.24Å; G171-A175 WeakPolarHBondContact O-CB 3.38Å; G171-A175 PolarHBondContact O-N 2.98Å
172	T	98.9	Very high	97.6	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-61.5	-46.8	173.3	-62.1	0	0	0	0	111.8	F144 V155 S168 A169 V170 A175 G176 G177 I178 V179	F144-T172 WeakPolarHBondContact CE2-OG1 3.46Å; V155-T172 HydrophobicContact CB-CG2 3.76Å; V155-T172 WeakPolarHBondContact CB-OG1 3.33Å; V155-T172 HydrophobicContact CG2-CG2 3.7Å; V155-T172 VanDerWaalsContact CG2-OG1 3.3Å; V155-T172 WeakPolarHBondContact CG2-OG1 3.09Å; S168-T172 VanDerWaalsContact O-CB 3.27Å; S168-T172 WeakPolarHBondContact O-CB 3.46Å; S168-T172 PolarHBondContact O-N 3.45Å; S168-T172 PolarHBondContact O-OG1 2.67Å; A169-T172 WeakPolarHBondContact O-CB 3.27Å; A169-T172 PolarHBondContact O-N 3.19Å; V170-T172 VanDerWaalsContact C-N 3.31Å; V170-T172 PolarHBondContact O-N 3.31Å; T172-A175 PolarHBondContact O-N 3.39Å; T172-G176 PolarHBondContact O-N 3.33Å; T172-G177 PolarHBondContact O-N 3.49Å; T172-I178 VanDerWaalsContact CG2-C 3.46Å; T172-V179 HydrophobicContact CG2-CG2 3.94Å
173	V	98.6	Very high	97.1	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-66	-42.2	177.8	-175.2	0	0	0	0	110.5	V100 A169 V170 A175 G176 V179 Q266 C272 W334	V100-V173 HydrophobicContact CB-CG1 3.93Å; V100-V173 HydrophobicContact CG1-CG1 4.2Å; V100-V173 HydrophobicContact CG2-CG1 4.41Å; A169-V173 PolarHBondContact O-N 2.87Å; V170-V173 PolarHBondContact O-N 3.09Å; V173-A175 VanDerWaalsContact C-N 3.26Å; V173-A175 PolarHBondContact O-N 2.85Å; V173-G176 PolarHBondContact O-N 3.31Å; V173-V179 HydrophobicContact CG2-CG2 3.64Å; V173-Q266 PolarHBondContact O-NE2 2.68Å; V173-Q266 PolarHBondContact O-OE1 3Å; V173-Q266 VanDerWaalsContact O-OE1 3.11Å; V173-C272 HydrophobicContact CG1-CB 3.99Å; V173-C272 HydrophobicContact CG2-CB 4.07Å; V173-W334 HydrophobicContact CG2-CH2 4.29Å
174	F	98.6	Very high	96.4	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-60.7	-36.6	176.5	-71.5	8.3	0	0	0	111.9	H101 F104 Y134 R138 A141 V170 G171 G176 L259 I263 Q266	H101-F174 HydrophobicContact CB-CD1 3.99Å; H101-F174 HydrophobicContact CB-CE1 3.84Å; H101-F174 AromaticContact CD2-CE1 3.73Å; H101-F174 AromaticContact CD2-CZ 3.77Å; F104-F174 HydrophobicContact CB-CZ 4.32Å; F104-F174 AromaticContact CD1-CZ 3.92Å; F104-F174 HydrophobicContact CD1-CZ 3.92Å; F104-F174 HydrophobicContact CG-CZ 4.38Å; Y134-F174 AromaticContact CD2-CE2 3.7Å; Y134-F174 HydrophobicContact CD2-CE2 3.7Å; Y134-F174 AromaticContact CD2-CZ 3.79Å; Y134-F174 HydrophobicContact CD2-CZ 3.79Å; Y134-F174 AromaticContact CE2-CE2 3.58Å; Y134-F174 HydrophobicContact CE2-CE2 3.58Å; Y134-F174 AromaticContact CE2-CZ 3.69Å; Y134-F174 HydrophobicContact CE2-CZ 3.69Å; R138-F174 HydrophobicContact CG-CD2 3.89Å; R138-F174 HydrophobicContact CG-CE2 4.01Å; A141-F174 HydrophobicContact CB-CB 3.81Å; V170-F174 HydrophobicContact CG1-CD1 3.92Å; V170-F174 HydrophobicContact CG1-CD2 4.16Å; V170-F174 HydrophobicContact CG1-CE1 3.4Å; V170-F174 VanDerWaalsContact CG1-CE1 3.4Å; V170-F174 HydrophobicContact CG1-CE2 3.7Å; V170-F174 HydrophobicContact CG1-CG 4.28Å; V170-F174 HydrophobicContact CG1-CZ 3.29Å; V170-F174 WeakPolarHBondContact O-CD1 3.24Å; V170-F174 WeakPolarHBondContact O-CG 3.46Å; V170-F174 PolarHBondContact O-N 2.87Å; G171-F174 PolarHBondContact O-N 3.24Å; F174-G176 PolarHBondContact O-N 2.71Å; F174-L259 HydrophobicContact CB-CD1 4.36Å; F174-L259 WeakPolarHBondContact O-CD1 3.34Å; F174-I263 HydrophobicContact CB-CD1 4.31Å; F174-I263 HydrophobicContact CB-CG1 4.43Å; F174-I263 HydrophobicContact CG-CD1 4.48Å; F174-I263 WeakPolarHBondContact O-CG1 3.34Å; F174-Q266 PolarHBondContact O-NE2 3.22Å; F174-Q266 VanDerWaalsContact O-NE2 3.12Å
175	A	98.4	Very high	95.4	Very high	3 Å²	3	8.6 Å²	8.6	3%	0.025	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-1.9	173.7	0	0	0	0	0	114.8	A141 L145 L149 G171 T172 V173 G177	A141-A175 HydrophobicContact CB-CB 4.16Å; L145-A175 HydrophobicContact CD1-CB 4.06Å; L145-A175 HydrophobicContact CD2-CB 4.12Å; L145-A175 HydrophobicContact CG-CB 3.82Å; L149-A175 HydrophobicContact CD2-CB 3.71Å; G171-A175 WeakPolarHBondContact O-CB 3.38Å; G171-A175 PolarHBondContact O-N 2.98Å; T172-A175 PolarHBondContact O-N 3.39Å; V173-A175 VanDerWaalsContact C-N 3.26Å; V173-A175 PolarHBondContact O-N 2.85Å; A175-G177 VanDerWaalsContact C-N 3.29Å; A175-G177 PolarHBondContact O-N 3.19Å
176	G	97.8	Very high	94.3	Very high	11 Å²	11	9.4 Å²	9.4	11%	0.113	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	16.7	-178.6	0	0	0	0	0	114.6	R151 A152 T172 V173 F174	R151-G176 WeakPolarHBondContact CA-O 3.35Å; A152-G176 PolarHBondContact N-O 2.91Å; A152-G176 VanDerWaalsContact N-O 3.09Å; T172-G176 PolarHBondContact O-N 3.33Å; V173-G176 PolarHBondContact O-N 3.31Å; F174-G176 PolarHBondContact O-N 2.71Å
177	G	98.4	Very high	93.3	Very high	3 Å²	3	11.8 Å²	11.8	3%	0.031	8%	0.075	C	C	.	.			trans	-90.2	-175.7	170.1	0	0	0	0	0	112.6	H153 T172 A175	H153-G177 CarbonylContact O-C 3.55Å; H153-G177 VanDerWaalsContact O-CA 3.3Å; H153-G177 WeakPolarHBondContact O-CA 3.24Å; T172-G177 PolarHBondContact O-N 3.49Å; A175-G177 VanDerWaalsContact C-N 3.29Å; A175-G177 PolarHBondContact O-N 3.19Å
178	I	98.8	Very high	92.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.4	-177.7	-59.2	171.7	0	0	0	110.4	A81 A152 H153 S154 V155 T172 T180 C271 L274	A81-I178 HydrophobicContact CB-CD1 3.76Å; A152-I178 HydrophobicContact CB-CD1 4.29Å; H153-I178 PolarHBondContact O-N 2.92Å; S154-I178 VanDerWaalsContact CA-O 3.23Å; S154-I178 WeakPolarHBondContact CA-O 3.29Å; V155-I178 PolarHBondContact N-O 3.43Å; T172-I178 VanDerWaalsContact CG2-C 3.46Å; I178-T180 PolarHBondContact O-N 3.29Å; I178-C271 HydrophobicContact CD1-CB 4.18Å; I178-L274 HydrophobicContact CG2-CB 4.05Å; I178-L274 HydrophobicContact CG2-CD1 3.69Å; I178-L274 HydrophobicContact CG2-CG 3.67Å
179	V	98.6	Very high	91.4	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	119.2	176.6	-176.7	0	0	0	0	109.3	I157 W165 A169 T172 V173 C272 V273 L274	I157-V179 HydrophobicContact CD1-CG1 4.06Å; W165-V179 HydrophobicContact CH2-CG1 3.88Å; W165-V179 HydrophobicContact CZ3-CG1 4.46Å; A169-V179 HydrophobicContact CB-CG1 3.81Å; A169-V179 HydrophobicContact CB-CG2 4.08Å; A169-V179 WeakPolarHBondContact O-CG2 3.21Å; T172-V179 HydrophobicContact CG2-CG2 3.94Å; V173-V179 HydrophobicContact CG2-CG2 3.64Å; V179-C272 PolarHBondContact N-O 2.88Å; V179-V273 HydrophobicContact CB-CG2 4.25Å; V179-V273 WeakPolarHBondContact O-CA 3.42Å; V179-L274 PolarHBondContact O-N 3Å
180	T	98.4	Very high	90.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	107.7	176.5	-59.3	0	0	0	0	110.8	S154 V155 A156 I157 I178 I194 C198 L274 Y276	S154-T180 WeakPolarHBondContact CB-OG1 3.35Å; S154-T180 PolarHBondContact OG-OG1 2.89Å; V155-T180 PolarHBondContact O-N 3.04Å; A156-T180 CarbonylContact C-O 3.53Å; A156-T180 WeakPolarHBondContact CA-O 3.27Å; I157-T180 PolarHBondContact N-O 3.19Å; I178-T180 PolarHBondContact O-N 3.29Å; T180-I194 HydrophobicContact CG2-CG2 3.87Å; T180-C198 HydrophobicContact CG2-CB 4.19Å; T180-L274 HydrophobicContact CG2-CB 4.31Å; T180-Y276 HydrophobicContact CG2-CD2 3.79Å; T180-Y276 HydrophobicContact CG2-CE2 3.64Å
181	G	94.4	Very high	89.9	Confident	3 Å²	3	20.4 Å²	20.4	3%	0.031	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	133.5	176.8	0	0	0	0	0	112.6
182	I	89.3	Confident	89.6	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.137	C	C	.	.			trans	-116.8	132	172.8	-49.8	-174.8	0	0	0	109.2	A156 I157 L158 T184 I194 S324	A156-I182 HydrophobicContact CB-CD1 3.88Å; A156-I182 HydrophobicContact CB-CG1 4.27Å; I157-I182 PolarHBondContact O-N 3.26Å; L158-I182 HydrophobicContact CB-CB 4.21Å; L158-I182 HydrophobicContact CD1-CB 4Å; L158-I182 HydrophobicContact CD1-CG2 3.86Å; I182-T184 PolarHBondContact O-N 2.98Å; I182-I194 HydrophobicContact CD1-CB 4.31Å; I182-I194 HydrophobicContact CD1-CG2 3.85Å; I182-I194 HydrophobicContact CG1-CG2 3.85Å; I182-I194 HydrophobicContact CG2-CD1 4.24Å; I182-S324 PolarHBondContact O-OG 2.93Å; I182-S324 VanDerWaalsContact O-OG 3.13Å
183	Y	84.3	Confident	89	Confident	30 Å²	30	26 Å²	26	12%	0.118	15%	0.148	C	C	.	.			trans	-63.6	134.8	177.9	-67.9	-88	0	0	0	111.2	L158 T185 S186 P322 S324 P693 T694	L158-Y183 VanDerWaalsContact CD1-O 3.25Å; L158-Y183 WeakPolarHBondContact CD1-O 3.41Å; Y183-T185 PolarHBondContact O-N 3.38Å; Y183-T185 VanDerWaalsContact O-N 3.11Å; Y183-S186 WeakPolarHBondContact O-CB 3.46Å; Y183-S186 PolarHBondContact O-N 3.19Å; Y183-S186 PolarHBondContact O-OG 3.49Å; Y183-P322 HydrophobicContact CD1-CB 3.94Å; Y183-P322 HydrophobicContact CD1-CG 4.44Å; Y183-P322 HydrophobicContact CE1-CB 3.84Å; Y183-P322 HydrophobicContact CE1-CG 4.37Å; Y183-S324 WeakPolarHBondContact CA-OG 3.1Å; Y183-S324 PolarHBondContact N-OG 2.94Å; Y183-P693 HydrophobicContact CD1-CB 3.71Å; Y183-P693 HydrophobicContact CD2-CB 4.41Å; Y183-P693 HydrophobicContact CD2-CG 4.46Å; Y183-P693 HydrophobicContact CE1-CB 3.99Å; Y183-P693 HydrophobicContact CG-CB 3.94Å; Y183-P693 HydrophobicContact CG-CG 4.32Å; Y183-T694 HydrophobicContact CE1-CG2 4.37Å
184	T	82.5	Confident	88.7	Confident	45 Å²	45	26.3 Å²	26.3	28%	0.276	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-22.9	176.8	53.4	0	0	0	0	113.7	I182 Q210 K213	I182-T184 PolarHBondContact O-N 2.98Å; T184-Q210 PolarHBondContact O-NE2 3.12Å; T184-K213 PolarHBondContact O-NZ 2.93Å
185	T	76.4	Confident	88.6	Confident	83 Å²	83	26.5 Å²	26.5	51%	0.509	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-8.4	175.1	51.5	0	0	0	0	114.4	Y183	Y183-T185 PolarHBondContact O-N 3.38Å; Y183-T185 VanDerWaalsContact O-N 3.11Å
186	S	75.2	Confident	88.5	Confident	16 Å²	16	31.1 Å²	31.1	11%	0.112	17%	0.172	C	C	.	.			trans	-59.5	142.4	177.1	-69.3	0	0	0	0	112.3	Y183 K213	Y183-S186 WeakPolarHBondContact O-CB 3.46Å; Y183-S186 PolarHBondContact O-N 3.19Å; Y183-S186 PolarHBondContact O-OG 3.49Å; S186-K213 PolarHBondContact O-NZ 2.95Å
187	S	76.7	Confident	88.5	Confident	52 Å²	52	31.6 Å²	31.6	36%	0.364	17%	0.172	S	C	.	.			trans	-72.5	162.3	170.3	82.9	0	0	0	0	111	E189 A190 C191	S187-E189 WeakPolarHBondContact CB-OE2 3.19Å; S187-E189 PolarHBondContact O-N 3.44Å; S187-E189 PolarHBondContact OG-N 3.1Å; S187-E189 PolarHBondContact OG-OE2 2.98Å; S187-A190 PolarHBondContact O-N 3.49Å; S187-A190 PolarHBondContact OG-N 2.95Å; S187-C191 PolarHBondContact O-N 3.45Å; S187-C191 PolarHBondContact O-SG 3.12Å; S187-C191 VanDerWaalsContact O-SG 3.33Å
188	P	81.1	Confident	88.4	Confident	34 Å²	34	31.6 Å²	31.6	22%	0.221	17%	0.172	C	C	.	.	H	α-helix	trans	-54.7	-38.7	175.5	-24.9	35.3	0	0	0	113	C191 Q192 K213 I217	P188-C191 WeakPolarHBondContact O-CB 3.34Å; P188-C191 PolarHBondContact O-N 2.91Å; P188-Q192 WeakPolarHBondContact O-CB 3.45Å; P188-Q192 PolarHBondContact O-N 2.93Å; P188-K213 HydrophobicContact CG-CG 4.42Å; P188-I217 HydrophobicContact CB-CG2 3.97Å
189	E	77.3	Confident	88.3	Confident	120 Å²	120	35.6 Å²	35.6	56%	0.561	19%	0.186	S	C	*	.	H	α-helix	trans	-68.7	-39.5	-179	-51.3	69.6	-146.9	0	0	111.1	S187 Q192 Y193	S187-E189 WeakPolarHBondContact CB-OE2 3.19Å; S187-E189 PolarHBondContact O-N 3.44Å; S187-E189 PolarHBondContact OG-N 3.1Å; S187-E189 PolarHBondContact OG-OE2 2.98Å; E189-Q192 PolarHBondContact O-N 2.91Å; E189-Y193 PolarHBondContact O-N 2.82Å
190	A	78.4	Confident	88.3	Confident	29 Å²	29	35.7 Å²	35.7	24%	0.24	19%	0.187	C	C	.	.	H	α-helix	trans	-66.9	-40	173.2	0	0	0	0	0	111.8	S187 I194	S187-A190 PolarHBondContact O-N 3.49Å; S187-A190 PolarHBondContact OG-N 2.95Å; A190-I194 VanDerWaalsContact O-CG1 3.31Å; A190-I194 WeakPolarHBondContact O-CG1 3.26Å; A190-I194 PolarHBondContact O-N 2.92Å; A190-I194 VanDerWaalsContact O-N 3.1Å
191	C	87.5	Confident	88.4	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-41.9	172.4	-66	0	0	0	0	111.8	S187 P188 I194 A195 I214 I217	S187-C191 PolarHBondContact O-N 3.45Å; S187-C191 PolarHBondContact O-SG 3.12Å; S187-C191 VanDerWaalsContact O-SG 3.33Å; P188-C191 WeakPolarHBondContact O-CB 3.34Å; P188-C191 PolarHBondContact O-N 2.91Å; C191-I194 PolarHBondContact O-N 2.88Å; C191-A195 VanDerWaalsContact O-CB 3.24Å; C191-A195 WeakPolarHBondContact O-CB 3.46Å; C191-A195 PolarHBondContact O-N 3.06Å; C191-I214 HydrophobicContact CB-CD1 4.22Å; C191-I217 HydrophobicContact CB-CD1 3.91Å
192	Q	91.8	Very high	88.6	Confident	61 Å²	61	35.6 Å²	35.6	29%	0.285	19%	0.186	S	C	.	.	H	α-helix	trans	-62.4	-50.5	178	-177.1	-172.6	-14.2	0	0	111.4	P188 E189 I194 A195 H196 I217 D220 L221	P188-Q192 WeakPolarHBondContact O-CB 3.45Å; P188-Q192 PolarHBondContact O-N 2.93Å; E189-Q192 PolarHBondContact O-N 2.91Å; Q192-I194 PolarHBondContact O-N 3.26Å; Q192-A195 PolarHBondContact O-N 3.36Å; Q192-H196 WeakPolarHBondContact O-CB 3.45Å; Q192-H196 PolarHBondContact O-N 3.32Å; Q192-I217 HydrophobicContact CB-CB 4.09Å; Q192-I217 HydrophobicContact CB-CD1 3.85Å; Q192-I217 HydrophobicContact CB-CG2 4.13Å; Q192-I217 HydrophobicContact CG-CB 4.28Å; Q192-D220 HydrophobicContact CG-CB 4.35Å; Q192-L221 HydrophobicContact CG-CD2 4.24Å
193	Y	87.2	Confident	89	Confident	55 Å²	55	35.6 Å²	35.6	22%	0.216	19%	0.186	C	C	.	.	H	α-helix	trans	-56.8	-49	177.6	170.8	-91.2	0	0	0	111.5	E189 H196 D197 Y276 N283 P284 M527	E189-Y193 PolarHBondContact O-N 2.82Å; Y193-H196 PolarHBondContact O-N 3.47Å; Y193-D197 WeakPolarHBondContact O-CB 3.41Å; Y193-D197 PolarHBondContact O-N 3.41Å; Y193-Y276 HydrophobicContact CE1-CE1 4.32Å; Y193-N283 HydrophobicContact CD1-CB 4.34Å; Y193-N283 HydrophobicContact CD2-CB 4.19Å; Y193-N283 HydrophobicContact CE1-CB 3.83Å; Y193-N283 HydrophobicContact CE2-CB 3.62Å; Y193-N283 WeakPolarHBondContact CE2-ND2 3.29Å; Y193-N283 VanDerWaalsContact CZ-CB 3.41Å; Y193-P284 HydrophobicContact CE1-CB 4.34Å; Y193-P284 WeakPolarHBondContact CE1-O 3.33Å; Y193-P284 PolarHBondContact OH-O 2.85Å; Y193-M527 WeakPolarHBondContact OH-CE 3.25Å
194	I	91.1	Very high	89.7	Confident	7 Å²	7	34.1 Å²	34.1	4%	0.036	18%	0.18	C	C	.	.	H	α-helix	trans	-63.4	-49.9	-179.1	-69.1	168.4	0	0	0	111.1	T180 I182 A190 C191 Q192 H196 D197 C198 Y276	T180-I194 HydrophobicContact CG2-CG2 3.87Å; I182-I194 HydrophobicContact CD1-CB 4.31Å; I182-I194 HydrophobicContact CD1-CG2 3.85Å; I182-I194 HydrophobicContact CG1-CG2 3.85Å; I182-I194 HydrophobicContact CG2-CD1 4.24Å; A190-I194 VanDerWaalsContact O-CG1 3.31Å; A190-I194 WeakPolarHBondContact O-CG1 3.26Å; A190-I194 PolarHBondContact O-N 2.92Å; A190-I194 VanDerWaalsContact O-N 3.1Å; C191-I194 PolarHBondContact O-N 2.88Å; Q192-I194 PolarHBondContact O-N 3.26Å; I194-H196 VanDerWaalsContact C-N 3.29Å; I194-H196 PolarHBondContact O-N 3.11Å; I194-D197 PolarHBondContact O-N 3.35Å; I194-C198 WeakPolarHBondContact O-CB 3.48Å; I194-C198 PolarHBondContact O-N 3.41Å; I194-C198 PolarHBondContact O-SG 2.83Å; I194-Y276 HydrophobicContact CD1-CG 4.24Å; I194-Y276 HydrophobicContact CG1-CD1 3.94Å; I194-Y276 HydrophobicContact CG1-CD2 4.33Å; I194-Y276 HydrophobicContact CG1-CE1 4.32Å; I194-Y276 HydrophobicContact CG1-CG 3.93Å; I194-Y276 HydrophobicContact CG2-CD2 3.61Å; I194-Y276 HydrophobicContact CG2-CE2 3.63Å; I194-Y276 HydrophobicContact CG2-CG 4.1Å
195	A	97.3	Very high	90.4	Very high	4 Å²	4	32 Å²	32	3%	0.033	17%	0.167	C	C	.	.	H	α-helix	trans	-66.6	-30.3	-177.7	0	0	0	0	0	113	C191 Q192 R199 A200 I203 L221	C191-A195 VanDerWaalsContact O-CB 3.24Å; C191-A195 WeakPolarHBondContact O-CB 3.46Å; C191-A195 PolarHBondContact O-N 3.06Å; Q192-A195 PolarHBondContact O-N 3.36Å; A195-R199 PolarHBondContact O-N 2.73Å; A195-A200 HydrophobicContact CB-CB 4.14Å; A195-A200 PolarHBondContact O-N 3.12Å; A195-I203 HydrophobicContact CB-CD1 3.86Å; A195-L221 HydrophobicContact CB-CD1 3.99Å; A195-L221 HydrophobicContact CB-CD2 3.74Å
196	H	96.9	Very high	91.2	Very high	101 Å²	101	28.5 Å²	28.5	47%	0.468	15%	0.146	S	C	.	.	H	α-helix	trans	-71	-52.9	172.6	-178.6	-73.5	0	0	0	111.3	Q192 Y193 I194 C198 R199 L221	Q192-H196 WeakPolarHBondContact O-CB 3.45Å; Q192-H196 PolarHBondContact O-N 3.32Å; Y193-H196 PolarHBondContact O-N 3.47Å; I194-H196 VanDerWaalsContact C-N 3.29Å; I194-H196 PolarHBondContact O-N 3.11Å; H196-C198 PolarHBondContact O-N 2.72Å; H196-R199 PolarHBondContact O-N 3.37Å; H196-L221 HydrophobicContact CB-CD2 4.08Å
197	D	96	Very high	92.1	Very high	20 Å²	20	29.1 Å²	29.1	11%	0.107	15%	0.148	C	C	.	.	H	α-helix	trans	-62.6	-42	-176.8	-177.8	55	0	0	0	112.5	Y193 I194 R199 Y276 L525 N526	Y193-D197 WeakPolarHBondContact O-CB 3.41Å; Y193-D197 PolarHBondContact O-N 3.41Å; I194-D197 PolarHBondContact O-N 3.35Å; D197-R199 PolarHBondContact O-N 3.07Å; D197-Y276 WeakPolarHBondContact OD2-CE1 3.44Å; D197-Y276 PolarHBondContact OD2-OH 2.85Å; D197-L525 WeakPolarHBondContact O-CD2 3.43Å; D197-N526 PolarHBondContact O-ND2 2.88Å; D197-N526 PolarHBondContact OD1-ND2 3.05Å
198	C	96.9	Very high	92.9	Very high	4 Å²	4	28.7 Å²	28.7	3%	0.027	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-1.6	175.8	81	0	0	0	0	114.3	S154 T180 I194 H196 A200 L274 Y276	S154-C198 VanDerWaalsContact CB-O 3.3Å; S154-C198 WeakPolarHBondContact CB-O 3.49Å; S154-C198 WeakPolarHBondContact CB-SG 3.44Å; S154-C198 WeakPolarHBondContact OG-CB 3.3Å; S154-C198 PolarHBondContact OG-O 2.96Å; T180-C198 HydrophobicContact CG2-CB 4.19Å; I194-C198 WeakPolarHBondContact O-CB 3.48Å; I194-C198 PolarHBondContact O-N 3.41Å; I194-C198 PolarHBondContact O-SG 2.83Å; H196-C198 PolarHBondContact O-N 2.72Å; C198-A200 PolarHBondContact O-N 2.8Å; C198-L274 HydrophobicContact CB-CD1 3.78Å; C198-Y276 HydrophobicContact CB-CE2 4.09Å; C198-Y276 WeakPolarHBondContact CB-OH 3.4Å; C198-Y276 PolarHBondContact N-OH 3.48Å
199	R	98.1	Very high	93.4	Very high	83 Å²	83	34.3 Å²	34.3	31%	0.313	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	57.5	-173.9	-52.8	179.2	-60	-172.1	5.1	111.7	A152 H153 S154 A195 H196 D197 N201 H223	A152-R199 PolarHBondContact O-NH2 2.85Å; H153-R199 PolarHBondContact CD2-O 2.84Å; S154-R199 PolarHBondContact N-O 2.8Å; A195-R199 PolarHBondContact O-N 2.73Å; H196-R199 PolarHBondContact O-N 3.37Å; D197-R199 PolarHBondContact O-N 3.07Å; R199-N201 PolarHBondContact O-N 3.42Å; R199-H223 HydrophobicContact CB-CB 4.31Å
200	A	98.6	Very high	94.2	Very high	2 Å²	2	29.1 Å²	29.1	2%	0.017	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	122.6	-178.6	0	0	0	0	0	111.3	S154 A156 A195 C198 I203 H223 L224	S154-A200 CarbonylContact O-C 3.6Å; S154-A200 WeakPolarHBondContact O-CA 3.47Å; A156-A200 HydrophobicContact CB-CB 4.21Å; A195-A200 HydrophobicContact CB-CB 4.14Å; A195-A200 PolarHBondContact O-N 3.12Å; C198-A200 PolarHBondContact O-N 2.8Å; A200-I203 HydrophobicContact CB-CG1 4.11Å; A200-H223 CarbonylContact O-C 3.5Å; A200-H223 VanDerWaalsContact O-C 3.25Å; A200-L224 WeakPolarHBondContact O-CA 3.35Å; A200-L224 PolarHBondContact O-N 3.38Å
201	N	98.8	Very high	95	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-32.8	168.9	-71.6	155.1	0	0	0	112.2	L149 E150 H153 S154 R199 H223 K225 A226	L149-N201 HydrophobicContact CD1-CB 4.17Å; E150-N201 PolarHBondContact N-OD1 3.32Å; H153-N201 WeakPolarHBondContact CB-OD1 3.46Å; S154-N201 PolarHBondContact O-N 2.81Å; R199-N201 PolarHBondContact O-N 3.42Å; N201-H223 WeakPolarHBondContact CA-O 3.25Å; N201-H223 PolarHBondContact ND2-O 2.93Å; N201-K225 HydrophobicContact CB-CD 4.34Å; N201-K225 WeakPolarHBondContact O-CB 3.4Å; N201-K225 PolarHBondContact O-N 2.69Å; N201-A226 PolarHBondContact O-N 2.73Å
202	V	98.9	Very high	95.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140.3	177.7	-174.4	0	0	0	0	108.6	F144 L147 V155 A156 V204 A226 V228	F144-V202 HydrophobicContact CD1-CB 4.39Å; F144-V202 HydrophobicContact CD1-CG1 4.03Å; F144-V202 HydrophobicContact CD1-CG2 4.31Å; F144-V202 HydrophobicContact CE1-CG1 4Å; L147-V202 HydrophobicContact CB-CG2 4.26Å; V155-V202 WeakPolarHBondContact CA-O 3.34Å; V155-V202 HydrophobicContact CG1-CB 4.27Å; V155-V202 HydrophobicContact CG1-CG1 4.49Å; V155-V202 HydrophobicContact CG2-CB 4.28Å; A156-V202 PolarHBondContact N-O 3.35Å; V202-V204 HydrophobicContact CG1-CG2 4.48Å; V202-A226 WeakPolarHBondContact CA-O 2.97Å; V202-V228 HydrophobicContact CG1-CG2 3.92Å
203	I	98.8	Very high	95.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.4	167.9	-54.2	176	0	0	0	108.7	A156 A195 A200 V205 I214 L221 L224 A226 V227 V228	A156-I203 HydrophobicContact CB-CG1 4.15Å; A156-I203 HydrophobicContact CB-CG2 4.39Å; A156-I203 CarbonylContact O-C 3.51Å; A156-I203 VanDerWaalsContact O-CA 3.28Å; A156-I203 WeakPolarHBondContact O-CA 3.34Å; A195-I203 HydrophobicContact CB-CD1 3.86Å; A200-I203 HydrophobicContact CB-CG1 4.11Å; I203-V205 HydrophobicContact CG2-CG1 4.14Å; I203-I214 HydrophobicContact CD1-CD1 4.08Å; I203-I214 HydrophobicContact CD1-CG2 3.9Å; I203-I214 HydrophobicContact CG2-CD1 4.19Å; I203-I214 HydrophobicContact CG2-CG1 4.16Å; I203-L221 HydrophobicContact CD1-CD1 4.11Å; I203-L224 HydrophobicContact CB-CD1 4.44Å; I203-L224 HydrophobicContact CD1-CD1 3.99Å; I203-L224 HydrophobicContact CD1-CD2 4.03Å; I203-L224 HydrophobicContact CG1-CD1 3.72Å; I203-A226 PolarHBondContact N-O 3.45Å; I203-A226 VanDerWaalsContact N-O 3.12Å; I203-V227 HydrophobicContact CB-CG2 4.25Å; I203-V227 CarbonylContact O-C 3.58Å; I203-V227 WeakPolarHBondContact O-CA 3.43Å; I203-V227 WeakPolarHBondContact O-CG1 3.44Å; I203-V228 PolarHBondContact O-N 2.82Å
204	V	98.6	Very high	95.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	132.8	175.9	-173.6	0	0	0	0	108.6	F144 V155 A156 I157 L158 V202 V228 Y230 M244	F144-V204 HydrophobicContact CE1-CG2 3.92Å; F144-V204 HydrophobicContact CZ-CG2 3.92Å; V155-V204 HydrophobicContact CG1-CG2 3.74Å; A156-V204 PolarHBondContact O-N 2.72Å; I157-V204 HydrophobicContact CG1-CB 4.46Å; I157-V204 HydrophobicContact CG2-CB 4.28Å; L158-V204 PolarHBondContact N-O 3.26Å; V202-V204 HydrophobicContact CG1-CG2 4.48Å; V204-V228 CarbonylContact C-O 3.58Å; V204-V228 VanDerWaalsContact CA-O 3.3Å; V204-V228 WeakPolarHBondContact CA-O 3.48Å; V204-V228 HydrophobicContact CG1-CB 4.46Å; V204-V228 HydrophobicContact CG2-CB 4.3Å; V204-Y230 HydrophobicContact CG1-CD1 3.6Å; V204-Y230 HydrophobicContact CG1-CE1 3.81Å; V204-M244 HydrophobicContact CG1-CE 4.28Å
205	V	97.8	Very high	95.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.8	-175.2	-66.3	0	0	0	0	111.7	L158 I203 Q210 L211 I214 V227 V228 I229 Y230	L158-V205 HydrophobicContact CB-CG1 4.28Å; L158-V205 HydrophobicContact CD2-CG1 4.47Å; L158-V205 WeakPolarHBondContact O-CA 3.34Å; I203-V205 HydrophobicContact CG2-CG1 4.14Å; V205-Q210 HydrophobicContact CB-CB 3.94Å; V205-Q210 HydrophobicContact CG1-CB 4.02Å; V205-L211 HydrophobicContact CG2-CB 4.02Å; V205-I214 HydrophobicContact CG1-CG1 4.09Å; V205-V227 HydrophobicContact CG1-CG1 4.39Å; V205-V227 HydrophobicContact CG2-CG1 3.82Å; V205-V228 WeakPolarHBondContact CG2-O 3.46Å; V205-V228 PolarHBondContact N-O 3.33Å; V205-I229 HydrophobicContact CG2-CB 3.98Å; V205-I229 HydrophobicContact CG2-CG1 4.14Å; V205-I229 WeakPolarHBondContact O-CA 3.34Å; V205-Y230 VanDerWaalsContact C-CE1 3.49Å; V205-Y230 WeakPolarHBondContact O-CD1 3.45Å; V205-Y230 WeakPolarHBondContact O-CE1 3.46Å; V205-Y230 PolarHBondContact O-N 2.83Å
206	D	92.9	Very high	95.8	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.053	17%	0.171	C	C	.	.	S	Bend	trans	-68.6	-57.6	175.5	54.8	18.3	0	0	0	111.4	L158 G159 F160 Q210 I229 Y230 Q231	L158-D206 PolarHBondContact O-N 2.92Å; G159-D206 WeakPolarHBondContact CA-OD2 3.44Å; F160-D206 PolarHBondContact N-OD2 3.11Å; D206-Q210 WeakPolarHBondContact OD1-CG 3.43Å; D206-I229 WeakPolarHBondContact O-CG1 3.45Å; D206-Y230 HydrophobicContact CB-CE1 4.2Å; D206-Y230 HydrophobicContact CB-CE2 3.9Å; D206-Q231 WeakPolarHBondContact O-CA 3.46Å; D206-Q231 WeakPolarHBondContact O-CB 3.49Å; D206-Q231 PolarHBondContact O-N 2.87Å
207	T	93.4	Very high	95.7	Very high	28 Å²	28	32.8 Å²	32.8	17%	0.172	15%	0.15	C	C	.	.	S	Bend	trans	-123.3	160.4	-161.1	54.7	0	0	0	0	112.7	K209 Q210 L211 D232	T207-K209 PolarHBondContact O-N 3.06Å; T207-Q210 PolarHBondContact O-N 2.74Å; T207-L211 PolarHBondContact O-N 2.99Å; T207-D232 WeakPolarHBondContact CA-OD2 3.4Å; T207-D232 WeakPolarHBondContact CB-OD2 3.22Å
208	Q	93.3	Very high	95.7	Very high	43 Å²	43	34.6 Å²	34.6	20%	0.201	16%	0.156	C	C	.	.	H	α-helix	trans	-54.5	-34.2	173.8	179.1	59.7	37.5	0	0	111.4	Q210 L211 E212 D232	Q208-Q210 PolarHBondContact O-N 2.76Å; Q208-L211 WeakPolarHBondContact O-CB 3.45Å; Q208-L211 PolarHBondContact O-N 2.89Å; Q208-E212 PolarHBondContact NE2-OE1 3.34Å; Q208-E212 WeakPolarHBondContact O-CB 3.47Å; Q208-E212 WeakPolarHBondContact O-CG 3.27Å; Q208-E212 PolarHBondContact O-N 3.37Å; Q208-D232 HydrophobicContact CB-CB 4.31Å; Q208-D232 PolarHBondContact N-OD2 3.07Å
209	K	91.4	Very high	95.7	Very high	152 Å²	152	42.7 Å²	42.7	66%	0.661	19%	0.19	S	C	*	.	H	α-helix	trans	-62.6	-40.3	174.9	-178.3	177.5	179.4	177.4	0	112.9	T207 K213	T207-K209 PolarHBondContact O-N 3.06Å; K209-K213 PolarHBondContact O-N 3.26Å
210	Q	94.3	Very high	95.6	Very high	11 Å²	11	41.7 Å²	41.7	5%	0.051	19%	0.191	C	C	.	.	H	α-helix	trans	-75.5	-39.4	176.1	-58.4	-60.3	-5.8	0	0	110.9	L158 T184 V205 D206 T207 Q208 E212 K213 I214	L158-Q210 HydrophobicContact CD2-CB 4.08Å; L158-Q210 HydrophobicContact CG-CB 4.1Å; L158-Q210 HydrophobicContact CG-CG 4.16Å; T184-Q210 PolarHBondContact O-NE2 3.12Å; V205-Q210 HydrophobicContact CB-CB 3.94Å; V205-Q210 HydrophobicContact CG1-CB 4.02Å; D206-Q210 WeakPolarHBondContact OD1-CG 3.43Å; T207-Q210 PolarHBondContact O-N 2.74Å; Q208-Q210 PolarHBondContact O-N 2.76Å; Q210-E212 VanDerWaalsContact C-N 3.31Å; Q210-E212 PolarHBondContact O-N 3.15Å; Q210-K213 WeakPolarHBondContact O-CB 3.42Å; Q210-K213 PolarHBondContact O-N 3.14Å; Q210-K213 VanDerWaalsContact O-N 3.08Å; Q210-I214 PolarHBondContact O-N 3.18Å
211	L	96.1	Very high	95.5	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-53.4	-47.1	172.5	177.2	57.2	0	0	0	111.5	V205 T207 Q208 K213 I214 L215 V227 I229 L234 M238 V241	V205-L211 HydrophobicContact CG2-CB 4.02Å; T207-L211 PolarHBondContact O-N 2.99Å; Q208-L211 WeakPolarHBondContact O-CB 3.45Å; Q208-L211 PolarHBondContact O-N 2.89Å; L211-K213 VanDerWaalsContact C-N 3.3Å; L211-K213 PolarHBondContact O-N 2.85Å; L211-I214 PolarHBondContact O-N 3.4Å; L211-I214 VanDerWaalsContact O-N 3.09Å; L211-L215 HydrophobicContact CD1-CD1 4.11Å; L211-L215 HydrophobicContact CD1-CD2 4.41Å; L211-L215 HydrophobicContact CD1-CG 4Å; L211-L215 HydrophobicContact CG-CD1 3.9Å; L211-L215 HydrophobicContact CG-CG 4.27Å; L211-L215 WeakPolarHBondContact O-CG 3.43Å; L211-L215 PolarHBondContact O-N 2.83Å; L211-V227 HydrophobicContact CD1-CB 4.28Å; L211-V227 HydrophobicContact CD1-CG1 3.54Å; L211-I229 HydrophobicContact CB-CD1 4.45Å; L211-I229 HydrophobicContact CD2-CD1 4.17Å; L211-L234 HydrophobicContact CD2-CD2 3.76Å; L211-M238 HydrophobicContact CD2-CE 3.89Å; L211-V241 HydrophobicContact CD1-CG1 4.03Å; L211-V241 HydrophobicContact CD1-CG2 4.47Å; L211-V241 HydrophobicContact CD2-CG1 4.09Å
212	E	94.1	Very high	95.4	Very high	87 Å²	87	46.7 Å²	46.7	41%	0.407	22%	0.223	S	C	.	.	H	α-helix	trans	-61.7	-31.6	176.9	-78.3	173.3	-157.7	0	0	114.3	Q208 Q210 K216	Q208-E212 PolarHBondContact NE2-OE1 3.34Å; Q208-E212 WeakPolarHBondContact O-CB 3.47Å; Q208-E212 WeakPolarHBondContact O-CG 3.27Å; Q208-E212 PolarHBondContact O-N 3.37Å; Q210-E212 VanDerWaalsContact C-N 3.31Å; Q210-E212 PolarHBondContact O-N 3.15Å; E212-K216 WeakPolarHBondContact O-CD 3.35Å; E212-K216 VanDerWaalsContact O-CG 3.28Å; E212-K216 WeakPolarHBondContact O-CG 3.39Å; E212-K216 PolarHBondContact O-N 3.11Å
213	K	90.4	Very high	95.4	Very high	29 Å²	29	50 Å²	50	13%	0.126	24%	0.239	C	C	.	.	H	α-helix	trans	-64.1	-46.6	171.8	-64.3	-177.1	-169.4	171.5	0	110.4	T184 S186 P188 K209 Q210 L211 K216	T184-K213 PolarHBondContact O-NZ 2.93Å; S186-K213 PolarHBondContact O-NZ 2.95Å; P188-K213 HydrophobicContact CG-CG 4.42Å; K209-K213 PolarHBondContact O-N 3.26Å; Q210-K213 WeakPolarHBondContact O-CB 3.42Å; Q210-K213 PolarHBondContact O-N 3.14Å; Q210-K213 VanDerWaalsContact O-N 3.08Å; L211-K213 VanDerWaalsContact C-N 3.3Å; L211-K213 PolarHBondContact O-N 2.85Å; K213-K216 PolarHBondContact O-N 3.12Å
214	I	96.6	Very high	95.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67.3	-41.8	-178.5	-56.7	-53.8	0	0	0	111.4	L158 C191 I203 V205 Q210 L211 K216 I217 W218 L224 V227	L158-I214 HydrophobicContact CD2-CD1 3.87Å; L158-I214 HydrophobicContact CD2-CG1 4.25Å; C191-I214 HydrophobicContact CB-CD1 4.22Å; I203-I214 HydrophobicContact CD1-CD1 4.08Å; I203-I214 HydrophobicContact CD1-CG2 3.9Å; I203-I214 HydrophobicContact CG2-CD1 4.19Å; I203-I214 HydrophobicContact CG2-CG1 4.16Å; V205-I214 HydrophobicContact CG1-CG1 4.09Å; Q210-I214 PolarHBondContact O-N 3.18Å; L211-I214 PolarHBondContact O-N 3.4Å; L211-I214 VanDerWaalsContact O-N 3.09Å; I214-K216 VanDerWaalsContact C-N 3.25Å; I214-K216 PolarHBondContact O-N 3.37Å; I214-I217 HydrophobicContact CD1-CD1 4.08Å; I214-I217 WeakPolarHBondContact O-CG1 3.38Å; I214-I217 PolarHBondContact O-N 3.42Å; I214-I217 VanDerWaalsContact O-N 3.11Å; I214-W218 PolarHBondContact O-N 2.79Å; I214-L224 HydrophobicContact CG2-CD2 4.03Å; I214-V227 HydrophobicContact CG2-CG2 3.74Å
215	L	95.6	Very high	95.4	Very high	67 Å²	67	54.1 Å²	54.1	35%	0.351	26%	0.257	S	S	.	.	H	α-helix	trans	-60.3	-32.5	177.9	-70.2	173.8	0	0	0	113	L211 I217 W218 M238 V241	L211-L215 HydrophobicContact CD1-CD1 4.11Å; L211-L215 HydrophobicContact CD1-CD2 4.41Å; L211-L215 HydrophobicContact CD1-CG 4Å; L211-L215 HydrophobicContact CG-CD1 3.9Å; L211-L215 HydrophobicContact CG-CG 4.27Å; L211-L215 WeakPolarHBondContact O-CG 3.43Å; L211-L215 PolarHBondContact O-N 2.83Å; L215-I217 VanDerWaalsContact C-N 3.32Å; L215-I217 PolarHBondContact O-N 2.93Å; L215-W218 HydrophobicContact CD2-CE3 4.07Å; L215-W218 HydrophobicContact CD2-CZ3 4.43Å; L215-M238 HydrophobicContact CD1-CE 4.23Å; L215-M238 HydrophobicContact CD1-SD 4.18Å; L215-V241 HydrophobicContact CD2-CG2 4.5Å
216	K	94.3	Very high	95.4	Very high	144 Å²	144	54.2 Å²	54.2	63%	0.626	26%	0.258	S	S	*	.	H	α-helix	trans	-67.7	-29.5	176.7	-73	165.8	-173	171.9	0	113.5	E212 K213 I214	E212-K216 WeakPolarHBondContact O-CD 3.35Å; E212-K216 VanDerWaalsContact O-CG 3.28Å; E212-K216 WeakPolarHBondContact O-CG 3.39Å; E212-K216 PolarHBondContact O-N 3.11Å; K213-K216 PolarHBondContact O-N 3.12Å; I214-K216 VanDerWaalsContact C-N 3.25Å; I214-K216 PolarHBondContact O-N 3.37Å
217	I	94.8	Very high	95.7	Very high	8 Å²	8	53.8 Å²	53.8	4%	0.041	26%	0.255	C	S	.	.	H	α-helix	trans	-106.8	-6.4	-175.2	62	175.1	0	0	0	113.4	P188 C191 Q192 I214 L215 K219 D220 L221	P188-I217 HydrophobicContact CB-CG2 3.97Å; C191-I217 HydrophobicContact CB-CD1 3.91Å; Q192-I217 HydrophobicContact CB-CB 4.09Å; Q192-I217 HydrophobicContact CB-CD1 3.85Å; Q192-I217 HydrophobicContact CB-CG2 4.13Å; Q192-I217 HydrophobicContact CG-CB 4.28Å; I214-I217 HydrophobicContact CD1-CD1 4.08Å; I214-I217 WeakPolarHBondContact O-CG1 3.38Å; I214-I217 PolarHBondContact O-N 3.42Å; I214-I217 VanDerWaalsContact O-N 3.11Å; L215-I217 VanDerWaalsContact C-N 3.32Å; L215-I217 PolarHBondContact O-N 2.93Å; I217-K219 VanDerWaalsContact C-N 3.26Å; I217-K219 PolarHBondContact O-N 3.49Å; I217-K219 VanDerWaalsContact O-N 3.13Å; I217-D220 PolarHBondContact O-N 3.01Å; I217-L221 HydrophobicContact CD1-CD1 4.08Å; I217-L221 HydrophobicContact CG1-CD1 4.06Å
218	W	96.6	Very high	95.9	Very high	57 Å²	57	52.4 Å²	52.4	22%	0.216	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-50.5	-44.1	-172.9	-170.5	-58.2	0	0	0	113.2	I214 L215 D220 L221 L224 V227 N240 V241	I214-W218 PolarHBondContact O-N 2.79Å; L215-W218 HydrophobicContact CD2-CE3 4.07Å; L215-W218 HydrophobicContact CD2-CZ3 4.43Å; W218-D220 PolarHBondContact O-N 3.33Å; W218-L221 PolarHBondContact O-N 3.5Å; W218-L224 HydrophobicContact CD2-CD2 3.62Å; W218-L224 HydrophobicContact CD2-CG 4.25Å; W218-L224 HydrophobicContact CE3-CD2 3.78Å; W218-L224 HydrophobicContact CG-CD2 4.06Å; W218-L224 HydrophobicContact CH2-CD2 4.36Å; W218-L224 HydrophobicContact CH2-CG 4.29Å; W218-L224 HydrophobicContact CZ2-CD2 4.18Å; W218-L224 HydrophobicContact CZ2-CG 3.92Å; W218-L224 HydrophobicContact CZ3-CD2 4.18Å; W218-V227 HydrophobicContact CE3-CG2 3.97Å; W218-V227 HydrophobicContact CH2-CB 4.4Å; W218-V227 HydrophobicContact CH2-CG2 3.91Å; W218-V227 HydrophobicContact CZ3-CB 3.9Å; W218-V227 HydrophobicContact CZ3-CG2 3.27Å; W218-N240 HydrophobicContact CH2-CB 3.84Å; W218-N240 HydrophobicContact CZ2-CB 3.99Å; W218-V241 HydrophobicContact CZ3-CG2 4.46Å
219	K	96.1	Very high	96	Very high	174 Å²	174	50.4 Å²	50.4	76%	0.757	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-56.5	-22.9	179.9	57.6	162	-164.8	172.1	0	114	I217	I217-K219 VanDerWaalsContact C-N 3.26Å; I217-K219 PolarHBondContact O-N 3.49Å; I217-K219 VanDerWaalsContact O-N 3.13Å
220	D	95.7	Very high	96.1	Very high	63 Å²	63	44.7 Å²	44.7	34%	0.337	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-102.2	9.7	-177.5	-49.7	-53.1	0	0	0	111.9	Q192 I217 W218 P222	Q192-D220 HydrophobicContact CG-CB 4.35Å; I217-D220 PolarHBondContact O-N 3.01Å; W218-D220 PolarHBondContact O-N 3.33Å; D220-P222 WeakPolarHBondContact O-CD 3.42Å
221	L	97.6	Very high	95.6	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.042	23%	0.234	C	C	.	.			trans	-115.6	80.5	179.7	-63.4	178.9	0	0	0	110.6	Q192 A195 H196 I203 I217 W218 H223 L224	Q192-L221 HydrophobicContact CG-CD2 4.24Å; A195-L221 HydrophobicContact CB-CD1 3.99Å; A195-L221 HydrophobicContact CB-CD2 3.74Å; H196-L221 HydrophobicContact CB-CD2 4.08Å; I203-L221 HydrophobicContact CD1-CD1 4.11Å; I217-L221 HydrophobicContact CD1-CD1 4.08Å; I217-L221 HydrophobicContact CG1-CD1 4.06Å; W218-L221 PolarHBondContact O-N 3.5Å; L221-H223 PolarHBondContact O-N 2.88Å; L221-H223 VanDerWaalsContact O-N 3.11Å; L221-L224 HydrophobicContact CB-CB 3.81Å; L221-L224 HydrophobicContact CB-CD2 4.25Å; L221-L224 HydrophobicContact CD1-CD2 3.79Å; L221-L224 WeakPolarHBondContact O-CB 3.35Å; L221-L224 PolarHBondContact O-N 2.64Å
222	P	97.1	Very high	94.9	Very high	99 Å²	99	52.2 Å²	52.2	64%	0.643	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-19.2	-168.8	26.6	-36.1	0	0	0	114.7	D220	D220-P222 WeakPolarHBondContact O-CD 3.42Å
223	H	97.9	Very high	94.2	Very high	71 Å²	71	53 Å²	53	33%	0.329	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-9.2	177.5	-66.6	-74	0	0	0	113.8	H153 R199 A200 N201 L221 K225	H153-H223 AromaticContact NE2-ND1 3.93Å; R199-H223 HydrophobicContact CB-CB 4.31Å; A200-H223 CarbonylContact O-C 3.5Å; A200-H223 VanDerWaalsContact O-C 3.25Å; N201-H223 WeakPolarHBondContact CA-O 3.25Å; N201-H223 PolarHBondContact ND2-O 2.93Å; L221-H223 PolarHBondContact O-N 2.88Å; L221-H223 VanDerWaalsContact O-N 3.11Å; H223-K225 PolarHBondContact O-N 3.34Å
224	L	98.6	Very high	93.5	Very high	16 Å²	16	53.1 Å²	53.1	8%	0.084	26%	0.264	C	S	.	.			trans	-76.6	116.9	-172.9	-177.7	59.2	0	0	0	111.5	A200 I203 I214 W218 L221 A226 V227	A200-L224 WeakPolarHBondContact O-CA 3.35Å; A200-L224 PolarHBondContact O-N 3.38Å; I203-L224 HydrophobicContact CB-CD1 4.44Å; I203-L224 HydrophobicContact CD1-CD1 3.99Å; I203-L224 HydrophobicContact CD1-CD2 4.03Å; I203-L224 HydrophobicContact CG1-CD1 3.72Å; I214-L224 HydrophobicContact CG2-CD2 4.03Å; W218-L224 HydrophobicContact CD2-CD2 3.62Å; W218-L224 HydrophobicContact CD2-CG 4.25Å; W218-L224 HydrophobicContact CE3-CD2 3.78Å; W218-L224 HydrophobicContact CG-CD2 4.06Å; W218-L224 HydrophobicContact CH2-CD2 4.36Å; W218-L224 HydrophobicContact CH2-CG 4.29Å; W218-L224 HydrophobicContact CZ2-CD2 4.18Å; W218-L224 HydrophobicContact CZ2-CG 3.92Å; W218-L224 HydrophobicContact CZ3-CD2 4.18Å; L221-L224 HydrophobicContact CB-CB 3.81Å; L221-L224 HydrophobicContact CB-CD2 4.25Å; L221-L224 HydrophobicContact CD1-CD2 3.79Å; L221-L224 WeakPolarHBondContact O-CB 3.35Å; L221-L224 PolarHBondContact O-N 2.64Å; L224-A226 VanDerWaalsContact CD1-O 3.29Å; L224-A226 WeakPolarHBondContact CD1-O 3.48Å; L224-V227 HydrophobicContact CD1-CG2 4.49Å; L224-V227 HydrophobicContact CD2-CG2 4.33Å
225	K	98.4	Very high	92.3	Very high	70 Å²	70	58.4 Å²	58.4	30%	0.304	30%	0.298	S	S	.	.			trans	-101.1	-36.5	-178	-58.9	179	-173.4	178.7	0	112.2	G148 E150 N201 H223 N240	G148-K225 VanDerWaalsContact O-CD 3.28Å; G148-K225 WeakPolarHBondContact O-CD 3.44Å; G148-K225 WeakPolarHBondContact O-CE 3.18Å; G148-K225 PolarHBondContact O-NZ 3.38Å; E150-K225 IonicContact OE1-NZ 3.83Å; E150-K225 PolarHBondContact OE1-NZ 3.23Å; N201-K225 HydrophobicContact CB-CD 4.34Å; N201-K225 WeakPolarHBondContact O-CB 3.4Å; N201-K225 PolarHBondContact O-N 2.69Å; H223-K225 PolarHBondContact O-N 3.34Å; K225-N240 WeakPolarHBondContact O-CB 3.32Å
226	A	98.4	Very high	91.7	Very high	2 Å²	2	63.2 Å²	63.2	2%	0.017	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	157.7	-177.1	0	0	0	0	0	113.9	L147 N201 V202 I203 L224 N240 Y242	L147-A226 HydrophobicContact CB-CB 4.17Å; L147-A226 HydrophobicContact CD1-CB 3.74Å; L147-A226 HydrophobicContact CD2-CB 4.22Å; L147-A226 HydrophobicContact CG-CB 4.28Å; N201-A226 PolarHBondContact O-N 2.73Å; V202-A226 WeakPolarHBondContact CA-O 2.97Å; I203-A226 PolarHBondContact N-O 3.45Å; I203-A226 VanDerWaalsContact N-O 3.12Å; L224-A226 VanDerWaalsContact CD1-O 3.29Å; L224-A226 WeakPolarHBondContact CD1-O 3.48Å; A226-N240 CarbonylContact C-O 3.58Å; A226-N240 VanDerWaalsContact CA-O 3.27Å; A226-N240 WeakPolarHBondContact CA-O 3.47Å; A226-Y242 HydrophobicContact CB-CD2 4.17Å; A226-Y242 HydrophobicContact CB-CE2 4.04Å
227	V	98.3	Very high	91.4	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.9	166	173.4	0	0	0	0	110	I203 V205 L211 I214 W218 L224 N240 V241 Y242	I203-V227 HydrophobicContact CB-CG2 4.25Å; I203-V227 CarbonylContact O-C 3.58Å; I203-V227 WeakPolarHBondContact O-CA 3.43Å; I203-V227 WeakPolarHBondContact O-CG1 3.44Å; V205-V227 HydrophobicContact CG1-CG1 4.39Å; V205-V227 HydrophobicContact CG2-CG1 3.82Å; L211-V227 HydrophobicContact CD1-CB 4.28Å; L211-V227 HydrophobicContact CD1-CG1 3.54Å; I214-V227 HydrophobicContact CG2-CG2 3.74Å; W218-V227 HydrophobicContact CE3-CG2 3.97Å; W218-V227 HydrophobicContact CH2-CB 4.4Å; W218-V227 HydrophobicContact CH2-CG2 3.91Å; W218-V227 HydrophobicContact CZ3-CB 3.9Å; W218-V227 HydrophobicContact CZ3-CG2 3.27Å; L224-V227 HydrophobicContact CD1-CG2 4.49Å; L224-V227 HydrophobicContact CD2-CG2 4.33Å; V227-N240 PolarHBondContact N-O 3.2Å; V227-V241 WeakPolarHBondContact O-CA 3.23Å; V227-Y242 PolarHBondContact O-N 2.61Å
228	V	98.1	Very high	91.2	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.8	178.5	-175.9	0	0	0	0	109.4	L147 V202 I203 V204 V205 Y242 M244 L247	L147-V228 HydrophobicContact CD1-CG2 3.94Å; V202-V228 HydrophobicContact CG1-CG2 3.92Å; I203-V228 PolarHBondContact O-N 2.82Å; V204-V228 CarbonylContact C-O 3.58Å; V204-V228 VanDerWaalsContact CA-O 3.3Å; V204-V228 WeakPolarHBondContact CA-O 3.48Å; V204-V228 HydrophobicContact CG1-CB 4.46Å; V204-V228 HydrophobicContact CG2-CB 4.3Å; V205-V228 WeakPolarHBondContact CG2-O 3.46Å; V205-V228 PolarHBondContact N-O 3.33Å; V228-Y242 CarbonylContact C-O 3.55Å; V228-Y242 VanDerWaalsContact CA-O 3.27Å; V228-Y242 WeakPolarHBondContact CA-O 3.47Å; V228-M244 HydrophobicContact CG1-CE 4.32Å; V228-L247 HydrophobicContact CG1-CB 4.25Å; V228-L247 HydrophobicContact CG1-CD2 4.19Å; V228-L247 HydrophobicContact CG2-CD1 4.19Å; V228-L247 HydrophobicContact CG2-CD2 4.27Å
229	I	96.6	Very high	91	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.005	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	145.1	173.8	-169.2	165.3	0	0	0	110.9	V205 D206 L211 D232 L234 Y242 T243 M244	V205-I229 HydrophobicContact CG2-CB 3.98Å; V205-I229 HydrophobicContact CG2-CG1 4.14Å; V205-I229 WeakPolarHBondContact O-CA 3.34Å; D206-I229 WeakPolarHBondContact O-CG1 3.45Å; L211-I229 HydrophobicContact CB-CD1 4.45Å; L211-I229 HydrophobicContact CD2-CD1 4.17Å; I229-D232 HydrophobicContact CD1-CB 4.06Å; I229-L234 HydrophobicContact CG2-CD1 4.2Å; I229-L234 HydrophobicContact CG2-CD2 3.71Å; I229-L234 HydrophobicContact CG2-CG 3.73Å; I229-Y242 PolarHBondContact N-O 3.13Å; I229-T243 HydrophobicContact CG2-CG2 4.41Å; I229-T243 CarbonylContact O-C 3.54Å; I229-T243 VanDerWaalsContact O-CA 3.26Å; I229-T243 WeakPolarHBondContact O-CA 3.25Å; I229-M244 PolarHBondContact O-N 3.33Å
230	Y	92.7	Very high	91	Very high	31 Å²	31	62 Å²	62	12%	0.122	33%	0.329	C	S	.	.			trans	-131.3	-14.5	-174.7	66	-102	0	0	0	117.5	F160 S162 E164 V204 V205 D206	F160-Y230 PolarHBondContact O-OH 3.12Å; F160-Y230 VanDerWaalsContact O-OH 3.1Å; S162-Y230 WeakPolarHBondContact OG-CE2 3.5Å; E164-Y230 HydrophobicContact CB-CD1 4.19Å; E164-Y230 HydrophobicContact CB-CD2 3.6Å; E164-Y230 HydrophobicContact CB-CE2 4.06Å; E164-Y230 HydrophobicContact CB-CG 3.65Å; E164-Y230 HydrophobicContact CG-CD2 3.92Å; E164-Y230 HydrophobicContact CG-CG 4.13Å; V204-Y230 HydrophobicContact CG1-CD1 3.6Å; V204-Y230 HydrophobicContact CG1-CE1 3.81Å; V205-Y230 VanDerWaalsContact C-CE1 3.49Å; V205-Y230 WeakPolarHBondContact O-CD1 3.45Å; V205-Y230 WeakPolarHBondContact O-CE1 3.46Å; V205-Y230 PolarHBondContact O-N 2.83Å; D206-Y230 HydrophobicContact CB-CE1 4.2Å; D206-Y230 HydrophobicContact CB-CE2 3.9Å
231	Q	84.2	Confident	91.1	Very high	110 Å²	110	59 Å²	59	51%	0.514	31%	0.314	S	S	.	.	S	Bend	trans	-106.1	-48.1	178.7	-163.7	175.5	7.7	0	0	113.1	D206	D206-Q231 WeakPolarHBondContact O-CA 3.46Å; D206-Q231 WeakPolarHBondContact O-CB 3.49Å; D206-Q231 PolarHBondContact O-N 2.87Å
232	D	81	Confident	91	Very high	59 Å²	59	61.2 Å²	61.2	32%	0.316	32%	0.322	S	S	.	.	S	Bend	trans	-92.5	139.6	-178.7	-64.7	-33.6	0	0	0	111.7	T207 Q208 I229	T207-D232 WeakPolarHBondContact CA-OD2 3.4Å; T207-D232 WeakPolarHBondContact CB-OD2 3.22Å; Q208-D232 HydrophobicContact CB-CB 4.31Å; Q208-D232 PolarHBondContact N-OD2 3.07Å; I229-D232 HydrophobicContact CD1-CB 4.06Å
233	P	78.5	Confident	91	Very high	105 Å²	105	58 Å²	58	68%	0.682	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-68.5	138.9	171.6	29.8	-34.4	0	0	0	110.6	P235	P233-P235 VanDerWaalsContact O-CD 3.23Å; P233-P235 WeakPolarHBondContact O-CD 3.39Å
234	L	76.8	Confident	90.9	Very high	30 Å²	30	55 Å²	55	16%	0.157	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-66.3	117.4	175.6	-72.1	171.9	0	0	0	110.5	L211 I229 K236 M238 V241 T243	L211-L234 HydrophobicContact CD2-CD2 3.76Å; I229-L234 HydrophobicContact CG2-CD1 4.2Å; I229-L234 HydrophobicContact CG2-CD2 3.71Å; I229-L234 HydrophobicContact CG2-CG 3.73Å; L234-K236 PolarHBondContact O-N 3.48Å; L234-K236 VanDerWaalsContact O-N 3.15Å; L234-M238 HydrophobicContact CD2-CE 4.12Å; L234-V241 HydrophobicContact CD1-CG1 4.1Å; L234-V241 HydrophobicContact CD2-CG1 3.81Å; L234-T243 HydrophobicContact CD1-CG2 4.02Å; L234-T243 HydrophobicContact CG-CG2 4.29Å
235	P	71.3	Confident	90.7	Very high	112 Å²	112	57.8 Å²	57.8	73%	0.727	30%	0.302	S	S	*	.	S	Bend	trans	-64.8	-22.6	-179.7	-21.9	34	0	0	0	113.2	P233	P233-P235 VanDerWaalsContact O-CD 3.23Å; P233-P235 WeakPolarHBondContact O-CD 3.39Å
236	K	82.8	Confident	90.5	Very high	167 Å²	167	57 Å²	57	73%	0.726	30%	0.299	S	S	*	.	S	Bend	trans	-152.9	136.2	174.8	-175.5	176.4	179.1	179.5	0	108.7	L234 M238	L234-K236 PolarHBondContact O-N 3.48Å; L234-K236 VanDerWaalsContact O-N 3.15Å; K236-M238 PolarHBondContact O-N 3.38Å
237	K	87.9	Confident	90.5	Very high	107 Å²	107	56.9 Å²	56.9	47%	0.465	30%	0.298	S	S	.	.			trans	-61.8	128.4	173.7	-171.6	61.6	174.7	169.9	0	110	V241 E246	K237-V241 PolarHBondContact NZ-O 3.1Å; K237-E246 VanDerWaalsContact CE-OE1 3.25Å; K237-E246 WeakPolarHBondContact CE-OE1 3.28Å; K237-E246 IonicContact NZ-OE1 3.74Å; K237-E246 PolarHBondContact NZ-OE1 2.98Å; K237-E246 IonicContact NZ-OE2 3.9Å; K237-E246 PolarHBondContact NZ-OE2 2.99Å
238	M	90.8	Very high	90.3	Very high	52 Å²	52	57.9 Å²	57.9	26%	0.256	30%	0.303	S	S	.	.			trans	-117.2	146.3	178.3	-69.5	179.7	-75.7	0	0	109.9	L211 L215 L234 K236 V241	L211-M238 HydrophobicContact CD2-CE 3.89Å; L215-M238 HydrophobicContact CD1-CE 4.23Å; L215-M238 HydrophobicContact CD1-SD 4.18Å; L234-M238 HydrophobicContact CD2-CE 4.12Å; K236-M238 PolarHBondContact O-N 3.38Å; M238-V241 HydrophobicContact CB-CB 4.04Å; M238-V241 HydrophobicContact CB-CG2 3.89Å; M238-V241 HydrophobicContact CE-CG1 4.39Å; M238-V241 HydrophobicContact CE-CG2 4.37Å; M238-V241 PolarHBondContact O-N 2.92Å
239	P	92.6	Very high	90.2	Very high	116 Å²	116	63.7 Å²	63.7	75%	0.753	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	139.7	172	-22.3	33.6	0	0	0	110.8	V241	P239-V241 PolarHBondContact O-N 2.83Å
240	N	95.9	Very high	90	Very high	82 Å²	82	65.4 Å²	65.4	44%	0.439	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	12.2	179	-52.9	-22.8	0	0	0	115.7	W218 K225 A226 V227	W218-N240 HydrophobicContact CH2-CB 3.84Å; W218-N240 HydrophobicContact CZ2-CB 3.99Å; K225-N240 WeakPolarHBondContact O-CB 3.32Å; A226-N240 CarbonylContact C-O 3.58Å; A226-N240 VanDerWaalsContact CA-O 3.27Å; A226-N240 WeakPolarHBondContact CA-O 3.47Å; V227-N240 PolarHBondContact N-O 3.2Å
241	V	97.3	Very high	89.9	Confident	1 Å²	1	64 Å²	64	1%	0.006	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.5	172.4	-171.5	0	0	0	0	109.4	L211 L215 W218 V227 L234 K237 M238 P239	L211-V241 HydrophobicContact CD1-CG1 4.03Å; L211-V241 HydrophobicContact CD1-CG2 4.47Å; L211-V241 HydrophobicContact CD2-CG1 4.09Å; L215-V241 HydrophobicContact CD2-CG2 4.5Å; W218-V241 HydrophobicContact CZ3-CG2 4.46Å; V227-V241 WeakPolarHBondContact O-CA 3.23Å; L234-V241 HydrophobicContact CD1-CG1 4.1Å; L234-V241 HydrophobicContact CD2-CG1 3.81Å; K237-V241 PolarHBondContact NZ-O 3.1Å; M238-V241 HydrophobicContact CB-CB 4.04Å; M238-V241 HydrophobicContact CB-CG2 3.89Å; M238-V241 HydrophobicContact CE-CG1 4.39Å; M238-V241 HydrophobicContact CE-CG2 4.37Å; M238-V241 PolarHBondContact O-N 2.92Å; P239-V241 PolarHBondContact O-N 2.83Å
242	Y	96.6	Very high	90.1	Very high	54 Å²	54	64.8 Å²	64.8	21%	0.212	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	153.1	-173.8	-58.2	-91	0	0	0	110.9	L147 A226 V227 V228 I229 E246 L250	L147-Y242 HydrophobicContact CD1-CD2 4.11Å; L147-Y242 HydrophobicContact CD1-CE2 4.45Å; L147-Y242 HydrophobicContact CD2-CD2 3.8Å; L147-Y242 HydrophobicContact CD2-CE1 4.2Å; L147-Y242 HydrophobicContact CD2-CE2 3.39Å; L147-Y242 HydrophobicContact CD2-CG 4.36Å; A226-Y242 HydrophobicContact CB-CD2 4.17Å; A226-Y242 HydrophobicContact CB-CE2 4.04Å; V227-Y242 PolarHBondContact O-N 2.61Å; V228-Y242 CarbonylContact C-O 3.55Å; V228-Y242 VanDerWaalsContact CA-O 3.27Å; V228-Y242 WeakPolarHBondContact CA-O 3.47Å; I229-Y242 PolarHBondContact N-O 3.13Å; Y242-E246 WeakPolarHBondContact CA-OE2 3.42Å; Y242-E246 HydrophobicContact CD1-CB 4.31Å; Y242-L250 HydrophobicContact CD1-CD1 3.75Å; Y242-L250 HydrophobicContact CE1-CD1 3.64Å
243	T	96.6	Very high	90.4	Very high	33 Å²	33	68.2 Å²	68.2	20%	0.202	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	165.8	161.4	68.8	0	0	0	0	110.6	I229 L234 D245 E246 L247	I229-T243 HydrophobicContact CG2-CG2 4.41Å; I229-T243 CarbonylContact O-C 3.54Å; I229-T243 VanDerWaalsContact O-CA 3.26Å; I229-T243 WeakPolarHBondContact O-CA 3.25Å; L234-T243 HydrophobicContact CD1-CG2 4.02Å; L234-T243 HydrophobicContact CG-CG2 4.29Å; T243-D245 PolarHBondContact O-N 3.32Å; T243-D245 PolarHBondContact OG1-N 3.35Å; T243-E246 PolarHBondContact N-OE2 2.92Å; T243-E246 PolarHBondContact O-N 2.91Å; T243-E246 WeakPolarHBondContact OG1-CG 3.18Å; T243-E246 PolarHBondContact OG1-N 3.09Å; T243-E246 VanDerWaalsContact OG1-N 3.14Å; T243-L247 PolarHBondContact O-N 3.48Å
244	M	95.7	Very high	90.9	Very high	8 Å²	8	64.7 Å²	64.7	4%	0.039	33%	0.327	C	S	.	.	H	α-helix	trans	-60.2	-35.2	171.9	-174.6	55.5	76.8	0	0	112.1	V140 E164 S168 V204 V228 I229 L247 M248	V140-M244 HydrophobicContact CG2-SD 3.83Å; E164-M244 HydrophobicContact CB-CE 4Å; E164-M244 HydrophobicContact CG-CG 4.33Å; S168-M244 WeakPolarHBondContact OG-CE 3.19Å; V204-M244 HydrophobicContact CG1-CE 4.28Å; V228-M244 HydrophobicContact CG1-CE 4.32Å; I229-M244 PolarHBondContact O-N 3.33Å; M244-L247 HydrophobicContact CE-CD2 4.46Å; M244-L247 WeakPolarHBondContact O-CB 3.3Å; M244-L247 PolarHBondContact O-N 2.99Å; M244-L247 HydrophobicContact SD-CD2 3.76Å; M244-M248 HydrophobicContact CG-CE 4.22Å; M244-M248 WeakPolarHBondContact O-CG 3.43Å; M244-M248 PolarHBondContact O-N 2.9Å
245	D	94.1	Very high	91.7	Very high	73 Å²	73	67.4 Å²	67.4	39%	0.39	35%	0.346	S	S	.	.	H	α-helix	trans	-66.3	-47.7	175.9	-60	-39.6	0	0	0	111.5	T243 L247 M248 E249	T243-D245 PolarHBondContact O-N 3.32Å; T243-D245 PolarHBondContact OG1-N 3.35Å; D245-L247 VanDerWaalsContact C-N 3.26Å; D245-L247 PolarHBondContact O-N 2.63Å; D245-M248 PolarHBondContact O-N 3.38Å; D245-M248 WeakPolarHBondContact OD1-CE 3.5Å; D245-E249 WeakPolarHBondContact O-CG 3.31Å; D245-E249 PolarHBondContact O-N 3.21Å
246	E	95.3	Very high	92.7	Very high	53 Å²	53	66.1 Å²	66.1	25%	0.248	33%	0.33	C	S	.	.	H	α-helix	trans	-60.3	-35.7	175.2	-69.8	174.5	135.5	0	0	111.9	K237 Y242 T243 L250	K237-E246 VanDerWaalsContact CE-OE1 3.25Å; K237-E246 WeakPolarHBondContact CE-OE1 3.28Å; K237-E246 IonicContact NZ-OE1 3.74Å; K237-E246 PolarHBondContact NZ-OE1 2.98Å; K237-E246 IonicContact NZ-OE2 3.9Å; K237-E246 PolarHBondContact NZ-OE2 2.99Å; Y242-E246 WeakPolarHBondContact CA-OE2 3.42Å; Y242-E246 HydrophobicContact CD1-CB 4.31Å; T243-E246 PolarHBondContact N-OE2 2.92Å; T243-E246 PolarHBondContact O-N 2.91Å; T243-E246 WeakPolarHBondContact OG1-CG 3.18Å; T243-E246 PolarHBondContact OG1-N 3.09Å; T243-E246 VanDerWaalsContact OG1-N 3.14Å; E246-L250 WeakPolarHBondContact O-CB 3.27Å; E246-L250 VanDerWaalsContact O-CG 3.24Å; E246-L250 WeakPolarHBondContact O-CG 3.44Å; E246-L250 PolarHBondContact O-N 2.88Å
247	L	96.9	Very high	93.3	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62.2	-45.8	172.3	178.7	74.9	0	0	0	111.4	V140 G143 F144 L147 V228 T243 M244 D245 L250 G251	V140-L247 HydrophobicContact CG1-CD2 4.01Å; V140-L247 HydrophobicContact CG2-CD2 4.43Å; G143-L247 VanDerWaalsContact C-CD1 3.4Å; G143-L247 WeakPolarHBondContact CA-O 3.5Å; F144-L247 HydrophobicContact CD1-CD1 3.92Å; F144-L247 HydrophobicContact CD1-CD2 3.96Å; F144-L247 HydrophobicContact CE1-CD1 4.26Å; F144-L247 HydrophobicContact CE1-CD2 3.54Å; F144-L247 HydrophobicContact CZ-CD2 4.04Å; L147-L247 HydrophobicContact CD1-CD1 3.36Å; L147-L247 HydrophobicContact CG-CD1 3.97Å; V228-L247 HydrophobicContact CG1-CB 4.25Å; V228-L247 HydrophobicContact CG1-CD2 4.19Å; V228-L247 HydrophobicContact CG2-CD1 4.19Å; V228-L247 HydrophobicContact CG2-CD2 4.27Å; T243-L247 PolarHBondContact O-N 3.48Å; M244-L247 HydrophobicContact CE-CD2 4.46Å; M244-L247 WeakPolarHBondContact O-CB 3.3Å; M244-L247 PolarHBondContact O-N 2.99Å; M244-L247 HydrophobicContact SD-CD2 3.76Å; D245-L247 VanDerWaalsContact C-N 3.26Å; D245-L247 PolarHBondContact O-N 2.63Å; L247-L250 PolarHBondContact O-N 2.8Å; L247-G251 PolarHBondContact O-N 2.78Å
248	M	94.9	Very high	93.6	Very high	22 Å²	22	62.8 Å²	62.8	11%	0.108	32%	0.323	C	S	.	.	H	α-helix	trans	-67.3	-38	179.5	-72.8	-172.1	-67.8	0	0	112	L43 I136 K139 V140 M244 D245 G251 Q252	L43-M248 HydrophobicContact CD2-CE 4.04Å; I136-M248 HydrophobicContact CG2-SD 4.02Å; K139-M248 HydrophobicContact CB-CB 4.49Å; K139-M248 HydrophobicContact CB-CG 4.31Å; V140-M248 HydrophobicContact CG2-CG 3.94Å; V140-M248 HydrophobicContact CG2-SD 4.45Å; M244-M248 HydrophobicContact CG-CE 4.22Å; M244-M248 WeakPolarHBondContact O-CG 3.43Å; M244-M248 PolarHBondContact O-N 2.9Å; D245-M248 PolarHBondContact O-N 3.38Å; D245-M248 WeakPolarHBondContact OD1-CE 3.5Å; M248-G251 PolarHBondContact O-N 2.86Å; M248-Q252 WeakPolarHBondContact O-CG 3.42Å; M248-Q252 PolarHBondContact O-N 3.31Å
249	E	95.3	Very high	93.9	Very high	121 Å²	121	60.3 Å²	60.3	57%	0.565	31%	0.311	S	S	*	.	H	α-helix	trans	-61.3	-50.7	172.5	-73.3	178.6	171.3	0	0	111.8	D245 G251 Q252	D245-E249 WeakPolarHBondContact O-CG 3.31Å; D245-E249 PolarHBondContact O-N 3.21Å; E249-G251 PolarHBondContact O-N 3.05Å; E249-Q252 WeakPolarHBondContact O-CB 3.26Å; E249-Q252 PolarHBondContact O-N 3.38Å
250	L	93.2	Very high	94.2	Very high	38 Å²	38	57.3 Å²	57.3	20%	0.199	29%	0.289	C	S	.	.	H	α-helix	trans	-55.8	-34.1	173.8	-76.6	170.7	0	0	0	112.4	K146 L147 Y242 E246 L247 Q252	K146-L250 HydrophobicContact CB-CB 4.46Å; K146-L250 HydrophobicContact CG-CB 4.08Å; K146-L250 HydrophobicContact CG-CD2 4.24Å; L147-L250 HydrophobicContact CD2-CD1 3.87Å; Y242-L250 HydrophobicContact CD1-CD1 3.75Å; Y242-L250 HydrophobicContact CE1-CD1 3.64Å; E246-L250 WeakPolarHBondContact O-CB 3.27Å; E246-L250 VanDerWaalsContact O-CG 3.24Å; E246-L250 WeakPolarHBondContact O-CG 3.44Å; E246-L250 PolarHBondContact O-N 2.88Å; L247-L250 PolarHBondContact O-N 2.8Å; L250-Q252 VanDerWaalsContact C-N 3.33Å
251	G	89.6	Confident	94.3	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-67.1	-26.9	173.8	0	0	0	0	0	114.3	K142 L247 M248 E249 E253 M254	K142-G251 WeakPolarHBondContact CB-O 3.46Å; K142-G251 WeakPolarHBondContact CE-O 3.36Å; K142-G251 PolarHBondContact NZ-O 3.13Å; K142-G251 VanDerWaalsContact NZ-O 3.09Å; L247-G251 PolarHBondContact O-N 2.78Å; M248-G251 PolarHBondContact O-N 2.86Å; E249-G251 PolarHBondContact O-N 3.05Å; G251-E253 VanDerWaalsContact C-N 3.3Å; G251-E253 PolarHBondContact O-N 3Å; G251-M254 PolarHBondContact O-N 3.14Å
252	Q	89.9	Confident	94.2	Very high	128 Å²	128	59.4 Å²	59.4	60%	0.598	30%	0.302	S	S	*	.	H	α-helix	trans	-66.8	-32	179.4	-60.1	-175.2	34.1	0	0	112.3	M248 E249 L250 M254	M248-Q252 WeakPolarHBondContact O-CG 3.42Å; M248-Q252 PolarHBondContact O-N 3.31Å; E249-Q252 WeakPolarHBondContact O-CB 3.26Å; E249-Q252 PolarHBondContact O-N 3.38Å; L250-Q252 VanDerWaalsContact C-N 3.33Å; Q252-M254 PolarHBondContact O-N 3.37Å
253	E	86.4	Confident	94.3	Very high	130 Å²	130	57.1 Å²	57.1	61%	0.607	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-20.1	178	-60.1	-174.9	177.6	0	0	113.6	K146 G251	K146-E253 WeakPolarHBondContact CE-OE2 3.48Å; K146-E253 IonicContact NZ-OE2 3.71Å; K146-E253 PolarHBondContact NZ-OE2 2.98Å; G251-E253 VanDerWaalsContact C-N 3.3Å; G251-E253 PolarHBondContact O-N 3Å
254	M	89.4	Confident	94.3	Very high	32 Å²	32	61.6 Å²	61.6	16%	0.158	32%	0.316	C	S	.	.	S	Bend	trans	-92	131.3	-176.1	-157	-173.8	78.9	0	0	111.6	K142 L145 G251 Q252 A258 L259	K142-M254 HydrophobicContact CB-CB 4.23Å; K142-M254 HydrophobicContact CB-CE 3.84Å; K142-M254 HydrophobicContact CD-CB 4.36Å; K142-M254 HydrophobicContact CD-CE 4Å; K142-M254 WeakPolarHBondContact CD-O 3.36Å; K142-M254 HydrophobicContact CG-CE 3.62Å; K142-M254 PolarHBondContact NZ-O 2.96Å; L145-M254 HydrophobicContact CB-CE 4.38Å; L145-M254 HydrophobicContact CB-SD 3.87Å; L145-M254 HydrophobicContact CD1-CE 3.72Å; L145-M254 HydrophobicContact CD1-SD 4.23Å; G251-M254 PolarHBondContact O-N 3.14Å; Q252-M254 PolarHBondContact O-N 3.37Å; M254-A258 HydrophobicContact CE-CB 4.17Å; M254-A258 HydrophobicContact CG-CB 4.47Å; M254-L259 HydrophobicContact CE-CB 4.03Å
255	P	92.6	Very high	94.4	Very high	87 Å²	87	64.2 Å²	64.2	57%	0.565	33%	0.333	S	S	*	.			trans	-62.2	139.2	177.9	-23.6	33.8	0	0	0	113.2	K257 A258	P255-K257 VanDerWaalsContact C-N 3.29Å; P255-K257 PolarHBondContact O-N 2.9Å; P255-A258 WeakPolarHBondContact O-CB 3.25Å; P255-A258 PolarHBondContact O-N 2.79Å; P255-A258 VanDerWaalsContact O-N 3.08Å
256	E	92.9	Very high	94.5	Very high	85 Å²	85	61.4 Å²	61.4	40%	0.397	32%	0.317	S	S	.	.	H	α-helix	trans	-53.1	-45.3	176.1	-66.2	-57.5	134.7	0	0	112.1	R138 K142 A258 L259 D260	R138-E256 IonicContact CZ-OE2 2.62Å; R138-E256 VanDerWaalsContact CZ-OE2 3.28Å; R138-E256 IonicContact NE-OE2 3.78Å; R138-E256 PolarHBondContact NE-OE2 3.33Å; R138-E256 IonicContact NH2-OE2 3.6Å; R138-E256 PolarHBondContact NH2-OE2 2.81Å; K142-E256 WeakPolarHBondContact CE-OE1 3.44Å; K142-E256 IonicContact NZ-OE1 2.64Å; K142-E256 PolarHBondContact NZ-OE1 3.29Å; E256-A258 PolarHBondContact O-N 2.84Å; E256-L259 WeakPolarHBondContact O-CA 3.37Å; E256-L259 WeakPolarHBondContact O-CB 3.2Å; E256-L259 PolarHBondContact O-N 2.68Å; E256-D260 VanDerWaalsContact C-OD2 3.3Å; E256-D260 PolarHBondContact O-N 2.75Å; E256-D260 VanDerWaalsContact O-OD2 3.1Å
257	K	95.3	Very high	94.6	Very high	163 Å²	163	62.7 Å²	62.7	71%	0.709	32%	0.323	S	S	*	.	H	α-helix	trans	-54.5	-28.9	179.6	-174.7	172.5	-178.3	175	0	114	P255 T261	P255-K257 VanDerWaalsContact C-N 3.29Å; P255-K257 PolarHBondContact O-N 2.9Å; K257-T261 WeakPolarHBondContact O-CB 3.38Å; K257-T261 PolarHBondContact O-N 3.09Å; K257-T261 PolarHBondContact O-OG1 3.33Å
258	A	94.8	Very high	94.6	Very high	41 Å²	41	64 Å²	64	34%	0.339	33%	0.331	S	S	.	.	H	α-helix	trans	-71.6	-38.3	177	0	0	0	0	0	111.5	M254 P255 E256 I262	M254-A258 HydrophobicContact CE-CB 4.17Å; M254-A258 HydrophobicContact CG-CB 4.47Å; P255-A258 WeakPolarHBondContact O-CB 3.25Å; P255-A258 PolarHBondContact O-N 2.79Å; P255-A258 VanDerWaalsContact O-N 3.08Å; E256-A258 PolarHBondContact O-N 2.84Å; A258-I262 WeakPolarHBondContact O-CG1 3.38Å; A258-I262 PolarHBondContact O-N 3.08Å
259	L	97.4	Very high	94.8	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-69.4	-44.2	172.5	177.8	62.4	0	0	0	111.2	R138 A141 K142 L145 F174 M254 E256 T261 I262 I263	R138-L259 HydrophobicContact CB-CD2 4Å; R138-L259 HydrophobicContact CG-CD2 4.06Å; A141-L259 HydrophobicContact CB-CD1 3.78Å; A141-L259 HydrophobicContact CB-CD2 3.98Å; K142-L259 HydrophobicContact CD-CD2 4.44Å; K142-L259 HydrophobicContact CG-CB 4.18Å; K142-L259 HydrophobicContact CG-CD2 3.79Å; L145-L259 HydrophobicContact CD1-CD1 3.99Å; F174-L259 HydrophobicContact CB-CD1 4.36Å; F174-L259 WeakPolarHBondContact O-CD1 3.34Å; M254-L259 HydrophobicContact CE-CB 4.03Å; E256-L259 WeakPolarHBondContact O-CA 3.37Å; E256-L259 WeakPolarHBondContact O-CB 3.2Å; E256-L259 PolarHBondContact O-N 2.68Å; L259-T261 VanDerWaalsContact C-N 3.34Å; L259-T261 PolarHBondContact O-N 3.21Å; L259-I262 WeakPolarHBondContact O-CB 3.49Å; L259-I262 PolarHBondContact O-N 3.37Å; L259-I263 HydrophobicContact CD1-CD1 4.19Å; L259-I263 HydrophobicContact CD1-CG1 4.36Å; L259-I263 HydrophobicContact CD2-CD1 4.37Å; L259-I263 HydrophobicContact CG-CD1 3.8Å; L259-I263 HydrophobicContact CG-CG1 4.42Å; L259-I263 WeakPolarHBondContact O-CG1 3.11Å; L259-I263 PolarHBondContact O-N 3.47Å
260	D	97.8	Very high	94.9	Very high	53 Å²	53	58.9 Å²	58.9	28%	0.283	31%	0.308	S	S	.	.	H	α-helix	trans	-59.3	-44.6	178.4	-61.5	-42.8	0	0	0	111.6	R138 E256 I262 I263 D264	R138-D260 IonicContact CZ-OD1 3.85Å; R138-D260 IonicContact NH1-OD1 2.68Å; R138-D260 PolarHBondContact NH1-OD1 3.47Å; R138-D260 VanDerWaalsContact NH2-CG 3.32Å; R138-D260 IonicContact NH2-OD1 3.79Å; R138-D260 PolarHBondContact NH2-OD1 3.28Å; R138-D260 IonicContact NH2-OD2 3.8Å; R138-D260 PolarHBondContact NH2-OD2 2.6Å; E256-D260 VanDerWaalsContact C-OD2 3.3Å; E256-D260 PolarHBondContact O-N 2.75Å; E256-D260 VanDerWaalsContact O-OD2 3.1Å; D260-I262 PolarHBondContact O-N 3.3Å; D260-I263 WeakPolarHBondContact O-CB 3.4Å; D260-I263 PolarHBondContact O-N 3.21Å; D260-I263 VanDerWaalsContact O-N 3.11Å; D260-D264 WeakPolarHBondContact O-CB 3.5Å; D260-D264 VanDerWaalsContact O-CG 3.25Å; D260-D264 PolarHBondContact O-N 2.91Å
261	T	97.4	Very high	95.1	Very high	77 Å²	77	57.6 Å²	57.6	47%	0.472	30%	0.302	S	S	.	.	H	α-helix	trans	-56.4	-36.5	174.2	-55.6	0	0	0	0	112.2	K257 L259 T265	K257-T261 WeakPolarHBondContact O-CB 3.38Å; K257-T261 PolarHBondContact O-N 3.09Å; K257-T261 PolarHBondContact O-OG1 3.33Å; L259-T261 VanDerWaalsContact C-N 3.34Å; L259-T261 PolarHBondContact O-N 3.21Å; T261-T265 WeakPolarHBondContact O-CG2 3.27Å; T261-T265 PolarHBondContact O-N 3.42Å
262	I	97.1	Very high	95.5	Very high	49 Å²	49	57.7 Å²	57.7	25%	0.251	30%	0.303	S	S	.	.	H	α-helix	trans	-70.3	-48.9	176.6	-69.5	164.9	0	0	0	110.1	L145 A258 L259 D260 D264 T265 Q266	L145-I262 HydrophobicContact CD1-CD1 3.54Å; L145-I262 HydrophobicContact CD2-CD1 3.74Å; L145-I262 HydrophobicContact CG-CD1 4.31Å; A258-I262 WeakPolarHBondContact O-CG1 3.38Å; A258-I262 PolarHBondContact O-N 3.08Å; L259-I262 WeakPolarHBondContact O-CB 3.49Å; L259-I262 PolarHBondContact O-N 3.37Å; D260-I262 PolarHBondContact O-N 3.3Å; I262-D264 PolarHBondContact O-N 3.15Å; I262-T265 PolarHBondContact O-N 3.42Å; I262-T265 VanDerWaalsContact O-N 3.16Å; I262-T265 PolarHBondContact O-OG1 3.06Å; I262-Q266 WeakPolarHBondContact O-CG 3.24Å
263	I	98	Very high	96	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.036	27%	0.274	C	S	.	.	H	α-helix	trans	-53.2	-49.7	177.1	-71.7	167.8	0	0	0	111.2	H101 F174 L259 D260 T265 Q266	H101-I263 HydrophobicContact CB-CG2 3.93Å; H101-I263 WeakPolarHBondContact ND1-CG2 3.37Å; F174-I263 HydrophobicContact CB-CD1 4.31Å; F174-I263 HydrophobicContact CB-CG1 4.43Å; F174-I263 HydrophobicContact CG-CD1 4.48Å; F174-I263 WeakPolarHBondContact O-CG1 3.34Å; L259-I263 HydrophobicContact CD1-CD1 4.19Å; L259-I263 HydrophobicContact CD1-CG1 4.36Å; L259-I263 HydrophobicContact CD2-CD1 4.37Å; L259-I263 HydrophobicContact CG-CD1 3.8Å; L259-I263 HydrophobicContact CG-CG1 4.42Å; L259-I263 WeakPolarHBondContact O-CG1 3.11Å; L259-I263 PolarHBondContact O-N 3.47Å; D260-I263 WeakPolarHBondContact O-CB 3.4Å; D260-I263 PolarHBondContact O-N 3.21Å; D260-I263 VanDerWaalsContact O-N 3.11Å; I263-T265 PolarHBondContact O-N 2.94Å; I263-Q266 WeakPolarHBondContact O-CB 3.36Å; I263-Q266 WeakPolarHBondContact O-CG 3.28Å; I263-Q266 PolarHBondContact O-N 2.99Å
264	D	97.2	Very high	96.5	Very high	127 Å²	127	45.4 Å²	45.4	68%	0.679	25%	0.245	S	C	*	.	H	α-helix	trans	-64	-23.7	-177.7	-66.9	-22.7	0	0	0	113.1	D260 I262	D260-D264 WeakPolarHBondContact O-CB 3.5Å; D260-D264 VanDerWaalsContact O-CG 3.25Å; D260-D264 PolarHBondContact O-N 2.91Å; I262-D264 PolarHBondContact O-N 3.15Å
265	T	96	Very high	96.9	Very high	62 Å²	62	44 Å²	44	38%	0.38	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-2.2	176.3	71.5	0	0	0	0	114.1	R151 T261 I262 I263	R151-T265 PolarHBondContact NH1-OG1 2.87Å; R151-T265 PolarHBondContact NH2-O 2.98Å; T261-T265 WeakPolarHBondContact O-CG2 3.27Å; T261-T265 PolarHBondContact O-N 3.42Å; I262-T265 PolarHBondContact O-N 3.42Å; I262-T265 VanDerWaalsContact O-N 3.16Å; I262-T265 PolarHBondContact O-OG1 3.06Å; I263-T265 PolarHBondContact O-N 2.94Å
266	Q	97.3	Very high	96.6	Very high	15 Å²	15	40.2 Å²	40.2	7%	0.07	21%	0.213	C	C	.	.			trans	-81.9	149.4	178.8	-55.1	-171.2	30.4	0	0	111.1	T99 V173 F174 I262 I263	T99-Q266 HydrophobicContact CG2-CB 4.35Å; V173-Q266 PolarHBondContact O-NE2 2.68Å; V173-Q266 PolarHBondContact O-OE1 3Å; V173-Q266 VanDerWaalsContact O-OE1 3.11Å; F174-Q266 PolarHBondContact O-NE2 3.22Å; F174-Q266 VanDerWaalsContact O-NE2 3.12Å; I262-Q266 WeakPolarHBondContact O-CG 3.24Å; I263-Q266 WeakPolarHBondContact O-CB 3.36Å; I263-Q266 WeakPolarHBondContact O-CG 3.28Å; I263-Q266 PolarHBondContact O-N 2.99Å
267	Q	97.1	Very high	95.8	Very high	80 Å²	80	37.3 Å²	37.3	37%	0.374	20%	0.201	S	C	.	.			trans	-131.4	149.8	-179.5	-62.3	-172.4	12.6	0	0	111.9	R84 N269 Q270	R84-Q267 VanDerWaalsContact CZ-OE1 3.32Å; R84-Q267 VanDerWaalsContact NH1-CD 3.27Å; Q267-N269 PolarHBondContact O-N 3.44Å; Q267-N269 VanDerWaalsContact O-N 3.12Å; Q267-Q270 HydrophobicContact CB-CG 4.23Å; Q267-Q270 VanDerWaalsContact N-OE1 3.15Å; Q267-Q270 WeakPolarHBondContact O-CB 3.41Å; Q267-Q270 PolarHBondContact O-N 3.06Å; Q267-Q270 VanDerWaalsContact O-N 3.1Å
268	P	97.8	Very high	94.3	Very high	26 Å²	26	33.2 Å²	33.2	17%	0.169	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.7	-176.4	-27.5	36.7	0	0	0	113.9	L87 P97 T99 Q270 Q291 D292	L87-P268 HydrophobicContact CD1-CB 4.23Å; P97-P268 HydrophobicContact CB-CB 3.54Å; P97-P268 HydrophobicContact CB-CG 3.76Å; T99-P268 HydrophobicContact CG2-CG 4.36Å; P268-Q270 VanDerWaalsContact C-N 3.3Å; P268-Q270 PolarHBondContact O-N 3.32Å; P268-Q291 PolarHBondContact O-N 3.26Å; P268-D292 HydrophobicContact CB-CB 4.02Å; P268-D292 WeakPolarHBondContact O-CB 3.36Å; P268-D292 PolarHBondContact O-N 3.24Å
269	N	97.3	Very high	92.1	Very high	13 Å²	13	33.1 Å²	33.1	7%	0.07	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	11.2	-178.9	69.4	-15.4	0	0	0	115.5	E74 V85 L87 Q267 M522	E74-N269 PolarHBondContact OE1-ND2 2.93Å; E74-N269 PolarHBondContact OE2-ND2 3.23Å; V85-N269 PolarHBondContact N-O 3.48Å; V85-N269 VanDerWaalsContact O-CB 3.23Å; V85-N269 WeakPolarHBondContact O-CB 3.28Å; V85-N269 PolarHBondContact O-ND2 3.43Å; L87-N269 HydrophobicContact CD1-CB 4.22Å; L87-N269 HydrophobicContact CD2-CB 3.99Å; L87-N269 HydrophobicContact CG-CB 3.93Å; Q267-N269 PolarHBondContact O-N 3.44Å; Q267-N269 VanDerWaalsContact O-N 3.12Å; N269-M522 WeakPolarHBondContact O-CE 3.2Å
270	Q	97.7	Very high	89.2	Confident	23 Å²	23	36.2 Å²	36.2	11%	0.107	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-99.8	146.3	177.1	-61.4	-167.9	-68.2	0	0	111.9	R84 Q267 P268 S290 Q291	R84-Q270 HydrophobicContact CG-CG 3.97Å; Q267-Q270 HydrophobicContact CB-CG 4.23Å; Q267-Q270 VanDerWaalsContact N-OE1 3.15Å; Q267-Q270 WeakPolarHBondContact O-CB 3.41Å; Q267-Q270 PolarHBondContact O-N 3.06Å; Q267-Q270 VanDerWaalsContact O-N 3.1Å; P268-Q270 VanDerWaalsContact C-N 3.3Å; P268-Q270 PolarHBondContact O-N 3.32Å; Q270-S290 CarbonylContact O-C 3.55Å; Q270-S290 WeakPolarHBondContact O-CA 3.42Å; Q270-Q291 PolarHBondContact O-N 2.95Å
271	C	98.5	Very high	86.5	Confident	12 Å²	12	38.5 Å²	38.5	8%	0.081	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	135.9	175.9	-170	0	0	0	0	111.2	I178 L289 M522	I178-C271 HydrophobicContact CD1-CB 4.18Å; C271-L289 WeakPolarHBondContact CA-O 3.29Å; C271-M522 VanDerWaalsContact CA-SD 3.54Å; C271-M522 HydrophobicContact CB-CE 4.28Å; C271-M522 HydrophobicContact CB-SD 3.64Å; C271-M522 PolarHBondContact N-SD 3.3Å; C271-M522 VanDerWaalsContact N-SD 3.41Å
272	C	98.4	Very high	84.5	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.007	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	-17.3	173.4	67	0	0	0	0	114	V173 V179 L289 Q291	V173-C272 HydrophobicContact CG1-CB 3.99Å; V173-C272 HydrophobicContact CG2-CB 4.07Å; V179-C272 PolarHBondContact N-O 2.88Å; C272-L289 PolarHBondContact N-O 2.9Å; C272-Q291 HydrophobicContact CB-CG 3.62Å
273	V	98.8	Very high	82.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	135.9	177	177.5	0	0	0	0	109.8	V179 V275 L289 I294 W334	V179-V273 HydrophobicContact CB-CG2 4.25Å; V179-V273 WeakPolarHBondContact O-CA 3.42Å; V273-V275 HydrophobicContact CG1-CG2 3.91Å; V273-L289 HydrophobicContact CB-CB 4.19Å; V273-L289 HydrophobicContact CB-CD1 4.46Å; V273-L289 HydrophobicContact CG1-CD1 4.21Å; V273-L289 PolarHBondContact N-O 3.5Å; V273-L289 PolarHBondContact O-N 2.76Å; V273-I294 HydrophobicContact CB-CD1 4.28Å; V273-I294 HydrophobicContact CG2-CD1 3.95Å; V273-I294 HydrophobicContact CG2-CG1 4.05Å; V273-W334 HydrophobicContact CG2-CZ2 4.04Å
274	L	98.5	Very high	82	Confident	1 Å²	1	42 Å²	42	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125.6	167.9	-86.2	165.2	0	0	0	109.7	I178 V179 T180 C198 Y276 V287 M288 L525	I178-L274 HydrophobicContact CG2-CB 4.05Å; I178-L274 HydrophobicContact CG2-CD1 3.69Å; I178-L274 HydrophobicContact CG2-CG 3.67Å; V179-L274 PolarHBondContact O-N 3Å; T180-L274 HydrophobicContact CG2-CB 4.31Å; C198-L274 HydrophobicContact CB-CD1 3.78Å; L274-Y276 HydrophobicContact CB-CE2 4.35Å; L274-V287 WeakPolarHBondContact CA-O 3.13Å; L274-M288 HydrophobicContact CD2-CB 4.48Å; L274-M288 HydrophobicContact CD2-CG 3.62Å; L274-L525 HydrophobicContact CD1-CD2 3.86Å; L274-L525 HydrophobicContact CD2-CB 4.05Å; L274-L525 HydrophobicContact CD2-CD2 4Å
275	V	96.4	Very high	81.5	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	115.3	175.2	178.5	0	0	0	0	109	V273 T277 V287 L289 I326	V273-V275 HydrophobicContact CG1-CG2 3.91Å; V275-T277 HydrophobicContact CG1-CG2 4.49Å; V275-T277 PolarHBondContact O-N 3.38Å; V275-V287 HydrophobicContact CB-CB 4.39Å; V275-V287 PolarHBondContact N-O 3.23Å; V275-V287 VanDerWaalsContact O-CB 3.32Å; V275-V287 WeakPolarHBondContact O-CB 3.49Å; V275-V287 PolarHBondContact O-N 2.91Å; V275-L289 HydrophobicContact CG2-CD1 3.88Å; V275-I326 HydrophobicContact CG2-CB 4.14Å; V275-I326 HydrophobicContact CG2-CD1 4.31Å
276	Y	87.8	Confident	81.5	Confident	8 Å²	8	34.9 Å²	34.9	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	114.9	179	-82.5	-89.8	0	0	0	111.5	T180 Y193 I194 D197 C198 L274 P284 K285	T180-Y276 HydrophobicContact CG2-CD2 3.79Å; T180-Y276 HydrophobicContact CG2-CE2 3.64Å; Y193-Y276 HydrophobicContact CE1-CE1 4.32Å; I194-Y276 HydrophobicContact CD1-CG 4.24Å; I194-Y276 HydrophobicContact CG1-CD1 3.94Å; I194-Y276 HydrophobicContact CG1-CD2 4.33Å; I194-Y276 HydrophobicContact CG1-CE1 4.32Å; I194-Y276 HydrophobicContact CG1-CG 3.93Å; I194-Y276 HydrophobicContact CG2-CD2 3.61Å; I194-Y276 HydrophobicContact CG2-CE2 3.63Å; I194-Y276 HydrophobicContact CG2-CG 4.1Å; D197-Y276 WeakPolarHBondContact OD2-CE1 3.44Å; D197-Y276 PolarHBondContact OD2-OH 2.85Å; C198-Y276 HydrophobicContact CB-CE2 4.09Å; C198-Y276 WeakPolarHBondContact CB-OH 3.4Å; C198-Y276 PolarHBondContact N-OH 3.48Å; L274-Y276 HydrophobicContact CB-CE2 4.35Å; Y276-P284 HydrophobicContact CD1-CB 3.89Å; Y276-K285 WeakPolarHBondContact CA-O 3.45Å
277	T	75.6	Confident	81.5	Confident	25 Å²	25	34.2 Å²	34.2	15%	0.153	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.7	177.7	60.3	0	0	0	0	111.2	V275 G279 P284 K285 V287 S472	V275-T277 HydrophobicContact CG1-CG2 4.49Å; V275-T277 PolarHBondContact O-N 3.38Å; T277-G279 PolarHBondContact O-N 2.89Å; T277-P284 CarbonylContact O-C 3.4Å; T277-P284 VanDerWaalsContact O-CA 3.25Å; T277-P284 WeakPolarHBondContact O-CA 3.29Å; T277-K285 PolarHBondContact N-O 3.25Å; T277-K285 PolarHBondContact O-N 3.42Å; T277-V287 HydrophobicContact CG2-CG2 3.89Å; T277-S472 VanDerWaalsContact CG2-OG 3.3Å; T277-S472 WeakPolarHBondContact CG2-OG 3.42Å
278	S	62.7	Low	81.6	Confident	77 Å²	77	30.4 Å²	30.4	54%	0.538	20%	0.202	S	C	.	.			trans	-74.1	103.7	164.7	57.8	0	0	0	0	108.7
279	G	49	Very low	81.6	Confident	39 Å²	39	29.1 Å²	29.1	40%	0.402	19%	0.194	S	C	.	.			trans	-66.6	177.4	169.6	0	0	0	0	0	112	T277 T281	T277-G279 PolarHBondContact O-N 2.89Å; G279-T281 PolarHBondContact O-N 3.21Å
280	T	37.6	Very low	81.7	Confident	64 Å²	64	28.6 Å²	28.6	39%	0.393	19%	0.191	S	C	.	.	S	Bend	trans	-67.2	-24.1	174.1	46.9	0	0	0	0	112.7
281	T	40.8	Very low	81.7	Confident	101 Å²	101	27.7 Å²	27.7	62%	0.62	19%	0.187	S	C	*	.	S	Bend	trans	-138.4	133	-177.8	56.4	0	0	0	0	111.7	G279 L700	G279-T281 PolarHBondContact O-N 3.21Å; T281-L700 HydrophobicContact CG2-CD1 3.54Å
282	G	54.4	Low	81.7	Confident	70 Å²	70	27.1 Å²	27.1	72%	0.722	18%	0.183	S	C	*	.	S	Bend	trans	85.2	-168.8	168.7	0	0	0	0	0	115.7
283	N	63.8	Low	81.7	Confident	106 Å²	106	27.3 Å²	27.3	57%	0.567	18%	0.184	S	C	*	.	S	Bend	trans	-65.3	154.8	-178.3	-65.2	-23	0	0	0	112	Y193	Y193-N283 HydrophobicContact CD1-CB 4.34Å; Y193-N283 HydrophobicContact CD2-CB 4.19Å; Y193-N283 HydrophobicContact CE1-CB 3.83Å; Y193-N283 HydrophobicContact CE2-CB 3.62Å; Y193-N283 WeakPolarHBondContact CE2-ND2 3.29Å; Y193-N283 VanDerWaalsContact CZ-CB 3.41Å
284	P	79.8	Confident	81.7	Confident	32 Å²	32	27.3 Å²	27.3	21%	0.208	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-55.6	143.4	175.6	-26.5	36.2	0	0	0	113	Y193 Y276 T277	Y193-P284 HydrophobicContact CE1-CB 4.34Å; Y193-P284 WeakPolarHBondContact CE1-O 3.33Å; Y193-P284 PolarHBondContact OH-O 2.85Å; Y276-P284 HydrophobicContact CD1-CB 3.89Å; T277-P284 CarbonylContact O-C 3.4Å; T277-P284 VanDerWaalsContact O-CA 3.25Å; T277-P284 WeakPolarHBondContact O-CA 3.29Å
285	K	86.8	Confident	81.7	Confident	39 Å²	39	27.3 Å²	27.3	17%	0.17	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	131.6	176.2	-55	-175.1	-178.2	179.1	0	110.6	Y276 T277 V287 Y524 M527	Y276-K285 WeakPolarHBondContact CA-O 3.45Å; T277-K285 PolarHBondContact N-O 3.25Å; T277-K285 PolarHBondContact O-N 3.42Å; K285-V287 PolarHBondContact O-N 3.49Å; K285-Y524 HydrophobicContact CB-CD1 3.59Å; K285-Y524 HydrophobicContact CB-CE1 3.88Å; K285-Y524 HydrophobicContact CB-CG 4.37Å; K285-Y524 HydrophobicContact CD-CD1 3.72Å; K285-Y524 HydrophobicContact CD-CD2 4.3Å; K285-Y524 HydrophobicContact CD-CE1 3.55Å; K285-Y524 HydrophobicContact CD-CE2 4.14Å; K285-Y524 HydrophobicContact CD-CG 4.09Å; K285-Y524 HydrophobicContact CG-CD1 4.34Å; K285-Y524 HydrophobicContact CG-CE1 4.42Å; K285-M527 HydrophobicContact CB-SD 4.27Å; K285-M527 HydrophobicContact CD-SD 4.35Å; K285-M527 HydrophobicContact CG-CE 4.48Å; K285-M527 HydrophobicContact CG-SD 3.88Å
286	G	94.9	Very high	81.7	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	103.9	173.3	0	0	0	0	0	111.4	M288 Y524 L525	G286-M288 PolarHBondContact O-N 3.12Å; G286-Y524 CarbonylContact O-C 3.42Å; G286-Y524 WeakPolarHBondContact O-CA 3.43Å; G286-L525 PolarHBondContact O-N 2.59Å
287	V	98.1	Very high	82.2	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	114.4	173.6	177.8	0	0	0	0	108.6	L274 V275 T277 K285 L289 S472 E473 F521 Y524	L274-V287 WeakPolarHBondContact CA-O 3.13Å; V275-V287 HydrophobicContact CB-CB 4.39Å; V275-V287 PolarHBondContact N-O 3.23Å; V275-V287 VanDerWaalsContact O-CB 3.32Å; V275-V287 WeakPolarHBondContact O-CB 3.49Å; V275-V287 PolarHBondContact O-N 2.91Å; T277-V287 HydrophobicContact CG2-CG2 3.89Å; K285-V287 PolarHBondContact O-N 3.49Å; V287-L289 HydrophobicContact CG1-CD2 3.71Å; V287-L289 HydrophobicContact CG1-CG 4.3Å; V287-S472 WeakPolarHBondContact CG1-O 3.49Å; V287-E473 HydrophobicContact CG1-CG 4.45Å; V287-E473 HydrophobicContact CG2-CG 4.21Å; V287-F521 HydrophobicContact CB-CD2 4.44Å; V287-F521 HydrophobicContact CG1-CB 3.91Å; V287-F521 HydrophobicContact CG1-CD2 3.62Å; V287-F521 HydrophobicContact CG1-CG 4.16Å; V287-Y524 HydrophobicContact CG2-CD1 4.08Å; V287-Y524 HydrophobicContact CG2-CE1 3.81Å
288	M	98.8	Very high	83.2	Confident	0 Å²	0	26 Å²	26	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	120.4	179.5	-69.6	-170.4	-54.5	0	0	111.8	T78 T79 L274 G286 F521 M522 G523 L525	T78-M288 HydrophobicContact CG2-CE 4.17Å; T78-M288 WeakPolarHBondContact O-CE 3.42Å; T79-M288 VanDerWaalsContact C-CE 3.45Å; L274-M288 HydrophobicContact CD2-CB 4.48Å; L274-M288 HydrophobicContact CD2-CG 3.62Å; G286-M288 PolarHBondContact O-N 3.12Å; M288-F521 WeakPolarHBondContact O-CB 3.24Å; M288-M522 HydrophobicContact CB-CB 3.99Å; M288-M522 HydrophobicContact CE-CB 4.35Å; M288-M522 WeakPolarHBondContact O-CB 3.24Å; M288-M522 PolarHBondContact O-N 2.58Å; M288-G523 WeakPolarHBondContact CB-O 3.37Å; M288-G523 PolarHBondContact N-O 2.82Å; M288-L525 HydrophobicContact CG-CB 3.99Å; M288-L525 HydrophobicContact SD-CB 4.14Å; M288-L525 HydrophobicContact SD-CD1 3.78Å
289	L	98.8	Very high	84.8	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.7	-179.7	-52.8	178.6	0	0	0	109.9	C271 C272 V273 V275 V287 N293 I294 I326 T475 F521	C271-L289 WeakPolarHBondContact CA-O 3.29Å; C272-L289 PolarHBondContact N-O 2.9Å; V273-L289 HydrophobicContact CB-CB 4.19Å; V273-L289 HydrophobicContact CB-CD1 4.46Å; V273-L289 HydrophobicContact CG1-CD1 4.21Å; V273-L289 PolarHBondContact N-O 3.5Å; V273-L289 PolarHBondContact O-N 2.76Å; V275-L289 HydrophobicContact CG2-CD1 3.88Å; V287-L289 HydrophobicContact CG1-CD2 3.71Å; V287-L289 HydrophobicContact CG1-CG 4.3Å; L289-N293 HydrophobicContact CB-CB 4.46Å; L289-I294 HydrophobicContact CB-CD1 4.34Å; L289-I294 HydrophobicContact CD1-CD1 4.27Å; L289-I326 HydrophobicContact CD1-CD1 3.42Å; L289-I326 VanDerWaalsContact CD1-CD1 3.42Å; L289-I326 HydrophobicContact CD1-CG1 3.87Å; L289-T475 HydrophobicContact CD1-CG2 4.04Å; L289-T475 HydrophobicContact CD2-CG2 4.36Å; L289-F521 HydrophobicContact CD2-CB 3.82Å
290	S	98.6	Very high	87	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.007	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	162.3	176.1	67	0	0	0	0	112.3	Q270 D292 N293 I294	Q270-S290 CarbonylContact O-C 3.55Å; Q270-S290 WeakPolarHBondContact O-CA 3.42Å; S290-D292 PolarHBondContact O-N 2.85Å; S290-N293 WeakPolarHBondContact CB-OD1 3.34Å; S290-N293 PolarHBondContact N-OD1 2.93Å; S290-N293 WeakPolarHBondContact O-CB 3.16Å; S290-N293 PolarHBondContact O-N 2.92Å; S290-N293 VanDerWaalsContact O-N 3.14Å; S290-N293 PolarHBondContact OG-N 2.94Å; S290-N293 VanDerWaalsContact OG-N 3.11Å; S290-N293 PolarHBondContact OG-OD1 2.62Å; S290-I294 PolarHBondContact O-N 2.93Å
291	Q	98.6	Very high	89.6	Confident	4 Å²	4	22.3 Å²	22.3	2%	0.019	13%	0.132	C	C	.	.	H	α-helix	trans	-58.5	-38.2	172.6	-62.3	-158.6	38.1	0	0	112.2	T99 V100 P268 Q270 C272 I294 T295	T99-Q291 VanDerWaalsContact CA-OE1 3.27Å; V100-Q291 HydrophobicContact CG2-CB 4.2Å; V100-Q291 HydrophobicContact CG2-CG 4.27Å; P268-Q291 PolarHBondContact O-N 3.26Å; Q270-Q291 PolarHBondContact O-N 2.95Å; C272-Q291 HydrophobicContact CB-CG 3.62Å; Q291-I294 PolarHBondContact O-N 2.86Å; Q291-T295 WeakPolarHBondContact O-CG2 3.42Å; Q291-T295 PolarHBondContact O-N 3.44Å; Q291-T295 PolarHBondContact O-OG1 3.25Å; Q291-T295 VanDerWaalsContact O-OG1 3.12Å
292	D	98	Very high	92.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.2	-38.7	175.8	-164.8	63.2	0	0	0	111.9	L87 P97 P268 S290 I294 W296 R518	L87-D292 HydrophobicContact CD1-CB 3.99Å; L87-D292 HydrophobicContact CD2-CB 3.71Å; P97-D292 WeakPolarHBondContact CA-OD1 3.45Å; P97-D292 VanDerWaalsContact CB-OD1 3.25Å; P97-D292 WeakPolarHBondContact CB-OD1 3.18Å; P268-D292 HydrophobicContact CB-CB 4.02Å; P268-D292 WeakPolarHBondContact O-CB 3.36Å; P268-D292 PolarHBondContact O-N 3.24Å; S290-D292 PolarHBondContact O-N 2.85Å; D292-I294 VanDerWaalsContact C-N 3.28Å; D292-I294 PolarHBondContact O-N 3.16Å; D292-W296 WeakPolarHBondContact O-CA 3.44Å; D292-W296 WeakPolarHBondContact O-CB 3.43Å; D292-W296 PolarHBondContact O-N 2.86Å; D292-R518 IonicContact OD1-CZ 3.29Å; D292-R518 IonicContact OD1-NE 2.72Å; D292-R518 IonicContact OD1-NH2 2.73Å; D292-R518 PolarHBondContact OD1-NH2 2.87Å; D292-R518 IonicContact OD2-CZ 3.87Å; D292-R518 IonicContact OD2-NE 3.17Å; D292-R518 PolarHBondContact OD2-NE 2.89Å; D292-R518 IonicContact OD2-NH2 3.25Å; D292-R518 PolarHBondContact OD2-NH2 3.41Å
293	N	98.1	Very high	94	Very high	5 Å²	5	19.7 Å²	19.7	3%	0.027	10%	0.095	C	C	.	.	H	α-helix	trans	-56.1	-46.6	173.7	-67.6	132.9	0	0	0	110.8	L289 S290 T297 T475 R518 I520	L289-N293 HydrophobicContact CB-CB 4.46Å; S290-N293 WeakPolarHBondContact CB-OD1 3.34Å; S290-N293 PolarHBondContact N-OD1 2.93Å; S290-N293 WeakPolarHBondContact O-CB 3.16Å; S290-N293 PolarHBondContact O-N 2.92Å; S290-N293 VanDerWaalsContact O-N 3.14Å; S290-N293 PolarHBondContact OG-N 2.94Å; S290-N293 VanDerWaalsContact OG-N 3.11Å; S290-N293 PolarHBondContact OG-OD1 2.62Å; N293-T297 WeakPolarHBondContact O-CB 3.34Å; N293-T297 PolarHBondContact O-N 3.38Å; N293-T297 VanDerWaalsContact O-N 3.15Å; N293-T297 PolarHBondContact O-OG1 3.3Å; N293-T475 HydrophobicContact CB-CG2 3.85Å; N293-T475 WeakPolarHBondContact CB-OG1 3.27Å; N293-R518 PolarHBondContact ND2-O 2.97Å; N293-I520 PolarHBondContact ND2-O 3.31Å
294	I	98.6	Very high	95.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-67	-54.9	-179.9	-61.3	-59.1	0	0	0	111.4	V100 V273 L289 S290 Q291 D292 W296 T297 A298 I326 I330 W334 T475	V100-I294 HydrophobicContact CG2-CB 4.26Å; V100-I294 HydrophobicContact CG2-CG2 4.03Å; V273-I294 HydrophobicContact CB-CD1 4.28Å; V273-I294 HydrophobicContact CG2-CD1 3.95Å; V273-I294 HydrophobicContact CG2-CG1 4.05Å; L289-I294 HydrophobicContact CB-CD1 4.34Å; L289-I294 HydrophobicContact CD1-CD1 4.27Å; S290-I294 PolarHBondContact O-N 2.93Å; Q291-I294 PolarHBondContact O-N 2.86Å; D292-I294 VanDerWaalsContact C-N 3.28Å; D292-I294 PolarHBondContact O-N 3.16Å; I294-W296 PolarHBondContact O-N 2.72Å; I294-T297 PolarHBondContact O-N 3.37Å; I294-A298 WeakPolarHBondContact O-CB 3.38Å; I294-A298 PolarHBondContact O-N 2.73Å; I294-I326 HydrophobicContact CD1-CD1 4.05Å; I294-I330 HydrophobicContact CD1-CD1 4.33Å; I294-W334 HydrophobicContact CG2-CB 3.99Å; I294-W334 HydrophobicContact CG2-CD2 3.49Å; I294-W334 VanDerWaalsContact CG2-CD2 3.49Å; I294-W334 HydrophobicContact CG2-CE3 4.08Å; I294-W334 HydrophobicContact CG2-CG 3.44Å; I294-W334 VanDerWaalsContact CG2-CG 3.44Å; I294-T475 HydrophobicContact CD1-CG2 3.96Å
295	T	98.3	Very high	96.2	Very high	1 Å²	1	14 Å²	14	1%	0.006	7%	0.066	C	C	.	.	H	α-helix	trans	-67.9	-36.9	-175.7	58.5	0	0	0	0	112.4	Y98 V100 M103 Q291 R299	Y98-T295 HydrophobicContact CD2-CG2 3.97Å; Y98-T295 HydrophobicContact CE2-CG2 4.01Å; Y98-T295 WeakPolarHBondContact O-CG2 3.5Å; Y98-T295 PolarHBondContact O-OG1 3.06Å; V100-T295 HydrophobicContact CG2-CG2 4.02Å; M103-T295 HydrophobicContact CB-CG2 3.96Å; M103-T295 HydrophobicContact CE-CG2 4.48Å; M103-T295 HydrophobicContact CG-CG2 4.44Å; M103-T295 HydrophobicContact SD-CG2 3.83Å; Q291-T295 WeakPolarHBondContact O-CG2 3.42Å; Q291-T295 PolarHBondContact O-N 3.44Å; Q291-T295 PolarHBondContact O-OG1 3.25Å; Q291-T295 VanDerWaalsContact O-OG1 3.12Å; T295-R299 WeakPolarHBondContact O-CB 3.43Å; T295-R299 PolarHBondContact O-N 3.45Å
296	W	96.9	Very high	96.5	Very high	6 Å²	6	13.1 Å²	13.1	2%	0.023	6%	0.063	C	C	.	.	H	α-helix	trans	-62.9	-51	174.1	-176.4	-98.3	0	0	0	111.6	C93 Q95 D292 I294 R299 Y300 R518	C93-W296 WeakPolarHBondContact SG-CH2 3.43Å; C93-W296 WeakPolarHBondContact SG-CZ2 3.35Å; Q95-W296 HydrophobicContact CB-CZ3 4.29Å; D292-W296 WeakPolarHBondContact O-CA 3.44Å; D292-W296 WeakPolarHBondContact O-CB 3.43Å; D292-W296 PolarHBondContact O-N 2.86Å; I294-W296 PolarHBondContact O-N 2.72Å; W296-R299 PolarHBondContact O-N 3.18Å; W296-Y300 AromaticContact CD2-CD2 3.47Å; W296-Y300 HydrophobicContact CD2-CD2 3.47Å; W296-Y300 VanDerWaalsContact CD2-CD2 3.47Å; W296-Y300 AromaticContact CD2-CE2 3.95Å; W296-Y300 HydrophobicContact CD2-CE2 3.95Å; W296-Y300 HydrophobicContact CD2-CG 4.27Å; W296-Y300 AromaticContact CE2-CD2 3.61Å; W296-Y300 AromaticContact CE2-CG 3.93Å; W296-Y300 AromaticContact CE3-CD2 3.35Å; W296-Y300 HydrophobicContact CE3-CD2 3.35Å; W296-Y300 AromaticContact CE3-CE2 3.3Å; W296-Y300 HydrophobicContact CE3-CE2 3.3Å; W296-Y300 HydrophobicContact CE3-CG 4.38Å; W296-Y300 HydrophobicContact CG-CD2 4.2Å; W296-Y300 HydrophobicContact CH2-CD1 4.08Å; W296-Y300 AromaticContact CH2-CD2 3.51Å; W296-Y300 HydrophobicContact CH2-CD2 3.51Å; W296-Y300 HydrophobicContact CH2-CE1 4.02Å; W296-Y300 AromaticContact CH2-CE2 3.46Å; W296-Y300 HydrophobicContact CH2-CE2 3.46Å; W296-Y300 VanDerWaalsContact CH2-CE2 3.46Å; W296-Y300 AromaticContact CH2-CG 3.84Å; W296-Y300 HydrophobicContact CH2-CG 3.84Å; W296-Y300 AromaticContact CH2-CZ 3.71Å; W296-Y300 HydrophobicContact CZ2-CD1 4.21Å; W296-Y300 AromaticContact CZ2-CD2 3.62Å; W296-Y300 HydrophobicContact CZ2-CD2 3.62Å; W296-Y300 HydrophobicContact CZ2-CE2 4.09Å; W296-Y300 AromaticContact CZ2-CG 3.7Å; W296-Y300 HydrophobicContact CZ2-CG 3.7Å; W296-Y300 AromaticContact CZ3-CD2 3.4Å; W296-Y300 HydrophobicContact CZ3-CD2 3.4Å; W296-Y300 VanDerWaalsContact CZ3-CD2 3.4Å; W296-Y300 HydrophobicContact CZ3-CE1 4.36Å; W296-Y300 AromaticContact CZ3-CE2 3.05Å; W296-Y300 HydrophobicContact CZ3-CE2 3.05Å; W296-Y300 HydrophobicContact CZ3-CG 4.21Å; W296-Y300 AromaticContact CZ3-CZ 3.59Å; W296-Y300 WeakPolarHBondContact O-CD2 3.15Å; W296-Y300 PolarHBondContact O-N 3.32Å; W296-R518 HydrophobicContact CB-CB 4.26Å; W296-R518 HydrophobicContact CD2-CB 4.09Å; W296-R518 VanDerWaalsContact CE3-NH1 3.28Å; W296-R518 HydrophobicContact CG-CB 3.75Å
297	T	97.4	Very high	96.4	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.006	7%	0.066	C	C	.	.	I	π-helix	trans	-68.9	-40.7	-176.8	-49.5	0	0	0	0	111.5	N293 I294 R299 G301 S302 I330 T475 P477	N293-T297 WeakPolarHBondContact O-CB 3.34Å; N293-T297 PolarHBondContact O-N 3.38Å; N293-T297 VanDerWaalsContact O-N 3.15Å; N293-T297 PolarHBondContact O-OG1 3.3Å; I294-T297 PolarHBondContact O-N 3.37Å; T297-R299 PolarHBondContact O-N 3.4Å; T297-G301 WeakPolarHBondContact O-CA 3.5Å; T297-G301 PolarHBondContact O-N 2.93Å; T297-S302 PolarHBondContact O-N 3.39Å; T297-I330 HydrophobicContact CG2-CD1 4.13Å; T297-I330 HydrophobicContact CG2-CG1 4.42Å; T297-I330 HydrophobicContact CG2-CG2 4.07Å; T297-T475 WeakPolarHBondContact CG2-O 3.43Å; T297-P477 HydrophobicContact CG2-CG 4.18Å
298	A	97.6	Very high	96	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.079	C	C	.	.	I	π-helix	trans	-60.5	-23	175.9	0	0	0	0	0	113.6	M103 I294 S302 W334 Q338 W339	M103-A298 HydrophobicContact SD-CB 4.17Å; I294-A298 WeakPolarHBondContact O-CB 3.38Å; I294-A298 PolarHBondContact O-N 2.73Å; A298-S302 PolarHBondContact O-OG 2.87Å; A298-W334 HydrophobicContact CB-CB 3.72Å; A298-Q338 HydrophobicContact CB-CB 4.27Å; A298-Q338 WeakPolarHBondContact O-CG 3.43Å; A298-W339 PolarHBondContact O-NE1 2.85Å
299	R	95.8	Very high	95.8	Very high	75 Å²	75	17.8 Å²	17.8	28%	0.283	9%	0.088	S	C	.	.	I	π-helix	trans	-95.6	-57.5	175.4	-176.5	166.1	-176.4	138	5.9	113.5	Y98 T295 W296 T297 S302 Q303 Q338 W339	Y98-R299 WeakPolarHBondContact OH-CD 3.35Å; Y98-R299 PolarHBondContact OH-NH1 2.88Å; T295-R299 WeakPolarHBondContact O-CB 3.43Å; T295-R299 PolarHBondContact O-N 3.45Å; W296-R299 PolarHBondContact O-N 3.18Å; T297-R299 PolarHBondContact O-N 3.4Å; R299-S302 PolarHBondContact O-OG 2.93Å; R299-Q303 WeakPolarHBondContact O-CB 3.11Å; R299-Q303 PolarHBondContact O-N 3.49Å; R299-Q303 VanDerWaalsContact O-N 3.09Å; R299-Q338 HydrophobicContact CB-CG 3.93Å; R299-Q338 HydrophobicContact CG-CG 4.43Å; R299-W339 HydrophobicContact CG-CZ2 4.01Å; R299-W339 WeakPolarHBondContact O-CZ2 3.23Å
300	Y	94.6	Very high	95.6	Very high	24 Å²	24	18.5 Å²	18.5	9%	0.094	9%	0.093	C	C	.	.	I	π-helix	trans	-89.4	-32	-168.6	-65.1	-83.8	0	0	0	113	Q95 W296 A304	Q95-Y300 VanDerWaalsContact CG-OH 3.27Å; Q95-Y300 WeakPolarHBondContact CG-OH 3.04Å; W296-Y300 AromaticContact CD2-CD2 3.47Å; W296-Y300 HydrophobicContact CD2-CD2 3.47Å; W296-Y300 VanDerWaalsContact CD2-CD2 3.47Å; W296-Y300 AromaticContact CD2-CE2 3.95Å; W296-Y300 HydrophobicContact CD2-CE2 3.95Å; W296-Y300 HydrophobicContact CD2-CG 4.27Å; W296-Y300 AromaticContact CE2-CD2 3.61Å; W296-Y300 AromaticContact CE2-CG 3.93Å; W296-Y300 AromaticContact CE3-CD2 3.35Å; W296-Y300 HydrophobicContact CE3-CD2 3.35Å; W296-Y300 AromaticContact CE3-CE2 3.3Å; W296-Y300 HydrophobicContact CE3-CE2 3.3Å; W296-Y300 HydrophobicContact CE3-CG 4.38Å; W296-Y300 HydrophobicContact CG-CD2 4.2Å; W296-Y300 HydrophobicContact CH2-CD1 4.08Å; W296-Y300 AromaticContact CH2-CD2 3.51Å; W296-Y300 HydrophobicContact CH2-CD2 3.51Å; W296-Y300 HydrophobicContact CH2-CE1 4.02Å; W296-Y300 AromaticContact CH2-CE2 3.46Å; W296-Y300 HydrophobicContact CH2-CE2 3.46Å; W296-Y300 VanDerWaalsContact CH2-CE2 3.46Å; W296-Y300 AromaticContact CH2-CG 3.84Å; W296-Y300 HydrophobicContact CH2-CG 3.84Å; W296-Y300 AromaticContact CH2-CZ 3.71Å; W296-Y300 HydrophobicContact CZ2-CD1 4.21Å; W296-Y300 AromaticContact CZ2-CD2 3.62Å; W296-Y300 HydrophobicContact CZ2-CD2 3.62Å; W296-Y300 HydrophobicContact CZ2-CE2 4.09Å; W296-Y300 AromaticContact CZ2-CG 3.7Å; W296-Y300 HydrophobicContact CZ2-CG 3.7Å; W296-Y300 AromaticContact CZ3-CD2 3.4Å; W296-Y300 HydrophobicContact CZ3-CD2 3.4Å; W296-Y300 VanDerWaalsContact CZ3-CD2 3.4Å; W296-Y300 HydrophobicContact CZ3-CE1 4.36Å; W296-Y300 AromaticContact CZ3-CE2 3.05Å; W296-Y300 HydrophobicContact CZ3-CE2 3.05Å; W296-Y300 HydrophobicContact CZ3-CG 4.21Å; W296-Y300 AromaticContact CZ3-CZ 3.59Å; W296-Y300 WeakPolarHBondContact O-CD2 3.15Å; W296-Y300 PolarHBondContact O-N 3.32Å; Y300-A304 VanDerWaalsContact O-CB 3.31Å; Y300-A304 WeakPolarHBondContact O-CB 3.3Å; Y300-A304 PolarHBondContact O-N 2.94Å
301	G	93.6	Very high	95.4	Very high	3 Å²	3	23.5 Å²	23.5	3%	0.031	12%	0.116	C	C	.	.	I	π-helix	trans	-67.3	-41.7	173.6	0	0	0	0	0	111.9	T297 A304 G305	T297-G301 WeakPolarHBondContact O-CA 3.5Å; T297-G301 PolarHBondContact O-N 2.93Å; G301-A304 PolarHBondContact O-N 3.25Å; G301-G305 PolarHBondContact O-N 2.91Å
302	S	94.1	Very high	95.2	Very high	8 Å²	8	28.4 Å²	28.4	6%	0.056	15%	0.146	C	C	.	.	H	α-helix	trans	-70.7	-40.5	174.6	56.5	0	0	0	0	112.7	T297 A298 R299 A304 G305 D306 I307 W339	T297-S302 PolarHBondContact O-N 3.39Å; A298-S302 PolarHBondContact O-OG 2.87Å; R299-S302 PolarHBondContact O-OG 2.93Å; S302-A304 VanDerWaalsContact C-N 3.3Å; S302-A304 PolarHBondContact O-N 3.18Å; S302-G305 CarbonylContact O-C 3.44Å; S302-G305 WeakPolarHBondContact O-CA 3.28Å; S302-G305 PolarHBondContact O-N 3.37Å; S302-D306 PolarHBondContact O-N 2.82Å; S302-I307 WeakPolarHBondContact O-CB 3.18Å; S302-I307 WeakPolarHBondContact O-CG1 3.44Å; S302-I307 PolarHBondContact O-N 3.26Å; S302-W339 PolarHBondContact OG-NE1 3.03Å
303	Q	93.9	Very high	94.8	Very high	108 Å²	108	31.7 Å²	31.7	51%	0.505	16%	0.162	S	C	.	.	H	α-helix	trans	-60.3	-39.2	171.4	-174.8	-179.8	24.7	0	0	111.8	R299 G305 D306 W339	R299-Q303 WeakPolarHBondContact O-CB 3.11Å; R299-Q303 PolarHBondContact O-N 3.49Å; R299-Q303 VanDerWaalsContact O-N 3.09Å; Q303-G305 PolarHBondContact O-N 3.2Å; Q303-D306 PolarHBondContact O-N 2.87Å; Q303-W339 HydrophobicContact CB-CZ2 4.24Å
304	A	94.3	Very high	94.7	Very high	17 Å²	17	34 Å²	34	14%	0.14	17%	0.172	C	C	.	.	H	α-helix	trans	-65.9	-21.8	174.4	0	0	0	0	0	113.3	Y300 G301 S302 M480 S482 V495	Y300-A304 VanDerWaalsContact O-CB 3.31Å; Y300-A304 WeakPolarHBondContact O-CB 3.3Å; Y300-A304 PolarHBondContact O-N 2.94Å; G301-A304 PolarHBondContact O-N 3.25Å; S302-A304 VanDerWaalsContact C-N 3.3Å; S302-A304 PolarHBondContact O-N 3.18Å; A304-M480 HydrophobicContact CB-CB 4.01Å; A304-M480 HydrophobicContact CB-CG 4.3Å; A304-S482 WeakPolarHBondContact O-CB 3.49Å; A304-V495 HydrophobicContact CB-CB 4.4Å; A304-V495 HydrophobicContact CB-CG1 4.14Å; A304-V495 HydrophobicContact CB-CG2 3.99Å
305	G	93.6	Very high	94.6	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.01	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	6.7	168.7	0	0	0	0	0	114.6	G301 S302 Q303 I307 F444	G301-G305 PolarHBondContact O-N 2.91Å; S302-G305 CarbonylContact O-C 3.44Å; S302-G305 WeakPolarHBondContact O-CA 3.28Å; S302-G305 PolarHBondContact O-N 3.37Å; Q303-G305 PolarHBondContact O-N 3.2Å; G305-I307 VanDerWaalsContact C-N 3.3Å; G305-I307 PolarHBondContact O-N 2.67Å; G305-F444 VanDerWaalsContact O-CZ 3.25Å; G305-F444 WeakPolarHBondContact O-CZ 3.4Å
306	D	94.1	Very high	94.6	Very high	22 Å²	22	35.1 Å²	35.1	12%	0.118	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	29.4	-174.4	-175.3	49.1	0	0	0	114.2	S302 Q303 Q308 K442 P483 Y484	S302-D306 PolarHBondContact O-N 2.82Å; Q303-D306 PolarHBondContact O-N 2.87Å; D306-Q308 PolarHBondContact O-N 3.27Å; D306-Q308 PolarHBondContact OD1-NE2 2.95Å; D306-K442 WeakPolarHBondContact O-CE 3.41Å; D306-K442 PolarHBondContact O-NZ 3.02Å; D306-P483 HydrophobicContact CB-CG 4.4Å; D306-Y484 HydrophobicContact CB-CD2 4.49Å; D306-Y484 HydrophobicContact CB-CE2 4.21Å
307	I	92.7	Very high	94.6	Very high	13 Å²	13	35.1 Å²	35.1	7%	0.067	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-66.3	128.2	165.6	-60	-58.8	0	0	0	108.8	S302 G305 E315 T335 W339 K442 F444	S302-I307 WeakPolarHBondContact O-CB 3.18Å; S302-I307 WeakPolarHBondContact O-CG1 3.44Å; S302-I307 PolarHBondContact O-N 3.26Å; G305-I307 VanDerWaalsContact C-N 3.3Å; G305-I307 PolarHBondContact O-N 2.67Å; I307-E315 HydrophobicContact CG2-CG 4.45Å; I307-T335 HydrophobicContact CB-CG2 4.46Å; I307-T335 HydrophobicContact CG1-CG2 4.23Å; I307-T335 HydrophobicContact CG2-CG2 3.89Å; I307-W339 HydrophobicContact CG2-CB 4.1Å; I307-W339 HydrophobicContact CG2-CG 4.06Å; I307-K442 HydrophobicContact CD1-CD 4.29Å; I307-F444 HydrophobicContact CD1-CE2 4.13Å
308	Q	88.9	Confident	94.6	Very high	58 Å²	58	35.2 Å²	35.2	27%	0.271	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-97.1	149.6	-174.6	-70.4	-65.6	-33.7	0	0	110.9	D306	D306-Q308 PolarHBondContact O-N 3.27Å; D306-Q308 PolarHBondContact OD1-NE2 2.95Å
309	P	94.4	Very high	94.6	Very high	27 Å²	27	35.2 Å²	35.2	18%	0.175	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-63.7	143.5	169.9	-11.3	24.7	0	0	0	110.8	E311 V312 Q313 W339	P309-E311 WeakPolarHBondContact CB-OE2 3.35Å; P309-E311 PolarHBondContact O-N 3.45Å; P309-E311 VanDerWaalsContact O-N 3.16Å; P309-V312 HydrophobicContact CG-CG2 4.31Å; P309-V312 WeakPolarHBondContact O-CA 3.24Å; P309-V312 WeakPolarHBondContact O-CB 3.49Å; P309-V312 PolarHBondContact O-N 2.84Å; P309-Q313 PolarHBondContact O-N 3.07Å; P309-W339 HydrophobicContact CB-CE3 3.88Å; P309-W339 HydrophobicContact CB-CZ3 4.22Å; P309-W339 HydrophobicContact CG-CE3 3.83Å; P309-W339 HydrophobicContact CG-CZ3 3.75Å
310	A	95.4	Very high	94.5	Very high	14 Å²	14	31.8 Å²	31.8	12%	0.116	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-17.5	179.5	0	0	0	0	0	113.8	Y111 L114 V312 Q314 W339	Y111-A310 HydrophobicContact CD1-CB 3.83Å; Y111-A310 HydrophobicContact CE1-CB 3.73Å; L114-A310 HydrophobicContact CD1-CB 3.81Å; A310-V312 PolarHBondContact O-N 3.28Å; A310-Q314 HydrophobicContact CB-CB 3.97Å; A310-Q314 HydrophobicContact CB-CG 4.11Å; A310-W339 VanDerWaalsContact CB-O 3.29Å; A310-W339 WeakPolarHBondContact CB-O 3.16Å; A310-W339 PolarHBondContact N-O 3.33Å
311	E	94.2	Very high	94.2	Very high	106 Å²	106	31.4 Å²	31.4	50%	0.495	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.9	168.6	-50.5	103.9	132	0	0	112.9	K110 Y111 P309	K110-E311 IonicContact NZ-OE1 3.25Å; K110-E311 PolarHBondContact NZ-OE1 2.96Å; Y111-E311 HydrophobicContact CE1-CG 4.06Å; Y111-E311 VanDerWaalsContact CE1-OE2 3.3Å; Y111-E311 WeakPolarHBondContact CE1-OE2 3.5Å; Y111-E311 PolarHBondContact OH-OE2 3.23Å; Y111-E311 VanDerWaalsContact OH-OE2 3.05Å; P309-E311 WeakPolarHBondContact CB-OE2 3.35Å; P309-E311 PolarHBondContact O-N 3.45Å; P309-E311 VanDerWaalsContact O-N 3.16Å
312	V	93.8	Very high	94	Very high	107 Å²	107	33.2 Å²	33.2	65%	0.648	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-54.6	176.4	-179.2	0	0	0	0	110.3	P309 A310	P309-V312 HydrophobicContact CG-CG2 4.31Å; P309-V312 WeakPolarHBondContact O-CA 3.24Å; P309-V312 WeakPolarHBondContact O-CB 3.49Å; P309-V312 PolarHBondContact O-N 2.84Å; A310-V312 PolarHBondContact O-N 3.28Å
313	Q	91.4	Very high	93.9	Very high	69 Å²	69	33 Å²	33	32%	0.322	18%	0.176	S	C	.	.			trans	-154.4	115	177.1	179	175	-79.6	0	0	108.4	P309 E315	P309-Q313 PolarHBondContact O-N 3.07Å; Q313-E315 PolarHBondContact NE2-OE1 2.77Å; Q313-E315 PolarHBondContact O-N 2.89Å; Q313-E315 VanDerWaalsContact O-N 3.08Å
314	Q	95.8	Very high	93.7	Very high	54 Å²	54	28 Å²	28	25%	0.252	15%	0.153	S	C	.	.			trans	-67.3	110.3	170.9	-172.8	172.5	36.8	0	0	109.3	S115 A310 G340	S115-Q314 PolarHBondContact O-NE2 3.1Å; A310-Q314 HydrophobicContact CB-CB 3.97Å; A310-Q314 HydrophobicContact CB-CG 4.11Å; Q314-G340 WeakPolarHBondContact CG-O 3.4Å; Q314-G340 PolarHBondContact NE2-O 3.09Å
315	E	96.8	Very high	93.5	Very high	2 Å²	2	29 Å²	29	1%	0.009	16%	0.155	C	C	.	.			trans	-67.6	141.7	172.5	-64.6	-61.3	149.4	0	0	110.5	I307 Q313 A341 Q342 T365 K442	I307-E315 HydrophobicContact CG2-CG 4.45Å; Q313-E315 PolarHBondContact NE2-OE1 2.77Å; Q313-E315 PolarHBondContact O-N 2.89Å; Q313-E315 VanDerWaalsContact O-N 3.08Å; E315-A341 HydrophobicContact CB-CB 3.97Å; E315-A341 CarbonylContact O-C 3.52Å; E315-A341 VanDerWaalsContact O-CA 3.27Å; E315-A341 WeakPolarHBondContact O-CA 3.43Å; E315-A341 WeakPolarHBondContact O-CB 3.34Å; E315-Q342 PolarHBondContact O-N 3.14Å; E315-T365 VanDerWaalsContact CA-OG1 3.3Å; E315-T365 WeakPolarHBondContact CA-OG1 3.4Å; E315-T365 VanDerWaalsContact OE2-CB 3.27Å; E315-T365 WeakPolarHBondContact OE2-CB 3.11Å; E315-T365 PolarHBondContact OE2-OG1 3.25Å; E315-K442 IonicContact OE1-NZ 2.73Å; E315-K442 PolarHBondContact OE1-NZ 3.1Å; E315-K442 IonicContact OE2-NZ 2.69Å
316	V	97.4	Very high	93.6	Very high	23 Å²	23	29 Å²	29	14%	0.139	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.4	174.4	-174.2	0	0	0	0	108.2	Q342 V362 P364 T365 S366	V316-Q342 WeakPolarHBondContact CA-O 3.35Å; V316-Q342 HydrophobicContact CG2-CB 4.31Å; V316-V362 HydrophobicContact CG1-CG1 3.51Å; V316-P364 CarbonylContact O-C 3.4Å; V316-P364 VanDerWaalsContact O-CA 3.29Å; V316-P364 WeakPolarHBondContact O-CA 3.34Å; V316-P364 WeakPolarHBondContact O-CB 3.44Å; V316-T365 PolarHBondContact N-OG1 3.28Å; V316-T365 PolarHBondContact O-N 3.13Å; V316-T365 PolarHBondContact O-OG1 3.49Å; V316-S366 PolarHBondContact O-N 2.82Å
317	V	97.3	Very high	93.4	Very high	6 Å²	6	29 Å²	29	4%	0.036	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	155	-178.2	-56.2	0	0	0	0	111.2	Y331 Q342 V343 C344	V317-Y331 HydrophobicContact CB-CE1 4.18Å; V317-Y331 HydrophobicContact CG1-CE1 4.03Å; V317-Q342 PolarHBondContact N-O 3.49Å; V317-V343 HydrophobicContact CG2-CB 4.22Å; V317-V343 HydrophobicContact CG2-CG1 4.19Å; V317-V343 HydrophobicContact CG2-CG2 3.95Å; V317-C344 PolarHBondContact O-N 3.41Å
318	V	97.4	Very high	93.4	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	120.6	172.1	175.1	0	0	0	0	109.3	Y320 C344 A346 L355 T358 L359 V362 P364	V318-Y320 HydrophobicContact CG1-CD1 4.41Å; V318-Y320 WeakPolarHBondContact O-CD1 3.23Å; V318-C344 CarbonylContact C-O 3.58Å; V318-C344 VanDerWaalsContact CA-O 3.25Å; V318-C344 WeakPolarHBondContact CA-O 3.31Å; V318-A346 HydrophobicContact CG1-CB 3.85Å; V318-L355 HydrophobicContact CG1-CD1 4.13Å; V318-T358 HydrophobicContact CG1-CG2 3.9Å; V318-T358 HydrophobicContact CG2-CG2 4.41Å; V318-L359 HydrophobicContact CB-CD2 4.17Å; V318-L359 HydrophobicContact CG2-CD2 4.02Å; V318-V362 HydrophobicContact CG2-CB 3.91Å; V318-V362 HydrophobicContact CG2-CG1 3.78Å; V318-V362 HydrophobicContact CG2-CG2 4.13Å; V318-P364 HydrophobicContact CG2-CB 4.39Å; V318-P364 HydrophobicContact CG2-CG 4.26Å
319	S	97.3	Very high	93.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	118.5	178.2	-176.9	0	0	0	0	110.6	N161 D332 C344 A346	N161-S319 PolarHBondContact ND2-OG 2.8Å; S319-D332 WeakPolarHBondContact CA-OD2 3.34Å; S319-D332 VanDerWaalsContact CB-OD2 3.27Å; S319-D332 WeakPolarHBondContact CB-OD2 3.13Å; S319-D332 PolarHBondContact OG-OD2 2.88Å; S319-C344 PolarHBondContact N-O 3.16Å; S319-A346 PolarHBondContact O-N 3.14Å
320	Y	93.6	Very high	93.9	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.008	14%	0.136	C	C	.	.			trans	-155	-12.1	-178.6	74.7	-78.7	0	0	0	113.9	N161 V318 L351 L355 H367 M368 G369 V373	N161-Y320 PolarHBondContact ND2-N 3.03Å; V318-Y320 HydrophobicContact CG1-CD1 4.41Å; V318-Y320 WeakPolarHBondContact O-CD1 3.23Å; Y320-L351 HydrophobicContact CD2-CD2 3.7Å; Y320-L351 HydrophobicContact CD2-CG 4.36Å; Y320-L351 HydrophobicContact CE2-CD2 3.81Å; Y320-L355 HydrophobicContact CD1-CD1 3.86Å; Y320-L355 HydrophobicContact CD2-CD1 4.13Å; Y320-L355 HydrophobicContact CD2-CD2 3.93Å; Y320-L355 HydrophobicContact CE1-CD1 4.32Å; Y320-L355 HydrophobicContact CE1-CD2 4.34Å; Y320-L355 HydrophobicContact CE2-CD2 3.67Å; Y320-L355 HydrophobicContact CG-CD1 3.77Å; Y320-L355 HydrophobicContact CG-CD2 4.37Å; Y320-H367 AromaticContact CE1-CE1 3.57Å; Y320-H367 AromaticContact CZ-CE1 3.89Å; Y320-M368 WeakPolarHBondContact CE1-O 3.29Å; Y320-M368 PolarHBondContact OH-O 3.38Å; Y320-G369 VanDerWaalsContact OH-CA 3.24Å; Y320-G369 WeakPolarHBondContact OH-CA 3.35Å; Y320-V373 HydrophobicContact CE2-CG1 4.47Å; Y320-V373 HydrophobicContact CE2-CG2 4.09Å
321	L	89.2	Confident	94	Very high	16 Å²	16	25.5 Å²	25.5	8%	0.084	14%	0.136	C	C	.	.	S	Bend	trans	-80.2	138.9	175.6	-67.2	175.7	0	0	0	109.2	N161 L323 A328 M368 V370	N161-L321 PolarHBondContact ND2-O 3.46Å; N161-L321 PolarHBondContact OD1-O 3.19Å; L321-L323 PolarHBondContact O-N 3.02Å; L321-L323 VanDerWaalsContact O-N 3.11Å; L321-A328 HydrophobicContact CB-CB 3.89Å; L321-A328 WeakPolarHBondContact O-CB 3.42Å; L321-M368 HydrophobicContact CD1-CB 4.49Å; L321-M368 HydrophobicContact CD1-CG 3.88Å; L321-V370 HydrophobicContact CD2-CG1 4.48Å
322	P	87.9	Confident	94	Very high	42 Å²	42	20.6 Å²	20.6	27%	0.273	11%	0.113	S	C	.	.			trans	-55.8	118.7	-172.3	-27.5	34.5	0	0	0	113.6	Y183 S324 H325 A328	Y183-P322 HydrophobicContact CD1-CB 3.94Å; Y183-P322 HydrophobicContact CD1-CG 4.44Å; Y183-P322 HydrophobicContact CE1-CB 3.84Å; Y183-P322 HydrophobicContact CE1-CG 4.37Å; P322-S324 PolarHBondContact O-N 3.14Å; P322-H325 WeakPolarHBondContact O-CB 3.35Å; P322-H325 PolarHBondContact O-N 3.11Å; P322-A328 WeakPolarHBondContact O-CB 3.07Å
323	L	93.1	Very high	94.2	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.01	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-5.9	178.2	-66.4	165.1	0	0	0	113.7	N161 W165 F166 L321 H325 A328 Q329 D332	N161-L323 HydrophobicContact CB-CD1 3.89Å; N161-L323 HydrophobicContact CB-CG 4.43Å; W165-L323 HydrophobicContact CB-CD1 4.08Å; W165-L323 HydrophobicContact CD2-CB 3.8Å; W165-L323 HydrophobicContact CD2-CD1 3.53Å; W165-L323 HydrophobicContact CD2-CG 4.28Å; W165-L323 VanDerWaalsContact CE2-CB 3.46Å; W165-L323 HydrophobicContact CE3-CB 4.11Å; W165-L323 HydrophobicContact CE3-CD1 3.76Å; W165-L323 HydrophobicContact CE3-CG 4.42Å; W165-L323 HydrophobicContact CG-CB 4.43Å; W165-L323 HydrophobicContact CG-CD1 3.61Å; W165-L323 HydrophobicContact CH2-CB 3.99Å; W165-L323 HydrophobicContact CZ2-CB 3.61Å; W165-L323 HydrophobicContact CZ3-CB 4.18Å; F166-L323 HydrophobicContact CD1-CD1 4.03Å; F166-L323 HydrophobicContact CE1-CD1 3.71Å; F166-L323 HydrophobicContact CE1-CD2 3.91Å; F166-L323 HydrophobicContact CE1-CG 4.49Å; L321-L323 PolarHBondContact O-N 3.02Å; L321-L323 VanDerWaalsContact O-N 3.11Å; L323-H325 PolarHBondContact O-N 3.37Å; L323-A328 HydrophobicContact CD2-CB 4.23Å; L323-Q329 WeakPolarHBondContact O-CG 3.48Å; L323-Q329 PolarHBondContact O-NE2 3.23Å; L323-D332 HydrophobicContact CD2-CB 4.3Å
324	S	89.4	Confident	94.5	Very high	4 Å²	4	12.2 Å²	12.2	3%	0.028	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-12.9	165	-32.3	0	0	0	0	113.6	I182 Y183 P322	I182-S324 PolarHBondContact O-OG 2.93Å; I182-S324 VanDerWaalsContact O-OG 3.13Å; Y183-S324 WeakPolarHBondContact CA-OG 3.1Å; Y183-S324 PolarHBondContact N-OG 2.94Å; P322-S324 PolarHBondContact O-N 3.14Å
325	H	89.9	Confident	94.6	Very high	39 Å²	39	10 Å²	10	18%	0.181	6%	0.057	C	C	.	.	S	Bend	trans	-107.4	134.6	-179.2	-171.1	-88.4	0	0	0	111.4	P322 L323 A327 A328 Q329	P322-H325 WeakPolarHBondContact O-CB 3.35Å; P322-H325 PolarHBondContact O-N 3.11Å; L323-H325 PolarHBondContact O-N 3.37Å; H325-A327 VanDerWaalsContact C-N 3.26Å; H325-A327 WeakPolarHBondContact ND1-CB 3.5Å; H325-A327 PolarHBondContact ND1-N 2.68Å; H325-A327 PolarHBondContact O-N 2.92Å; H325-A327 VanDerWaalsContact O-N 3.13Å; H325-A328 PolarHBondContact O-N 2.75Å; H325-A328 VanDerWaalsContact O-N 3.08Å; H325-Q329 PolarHBondContact O-N 2.95Å
326	I	95.1	Very high	94.6	Very high	1 Å²	1	10 Å²	10	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-57.1	-36.3	-173	-166.2	51	0	0	0	113.8	V275 L289 I294 A328 Q329 I330 T475	V275-I326 HydrophobicContact CG2-CB 4.14Å; V275-I326 HydrophobicContact CG2-CD1 4.31Å; L289-I326 HydrophobicContact CD1-CD1 3.42Å; L289-I326 VanDerWaalsContact CD1-CD1 3.42Å; L289-I326 HydrophobicContact CD1-CG1 3.87Å; I294-I326 HydrophobicContact CD1-CD1 4.05Å; I326-A328 VanDerWaalsContact C-N 3.29Å; I326-A328 PolarHBondContact O-N 2.9Å; I326-Q329 HydrophobicContact CD1-CB 4.4Å; I326-Q329 PolarHBondContact O-N 2.9Å; I326-I330 HydrophobicContact CD1-CD1 4.36Å; I326-I330 HydrophobicContact CD1-CG1 3.88Å; I326-I330 HydrophobicContact CG1-CG1 3.94Å; I326-I330 WeakPolarHBondContact O-CB 3.22Å; I326-I330 WeakPolarHBondContact O-CG1 3.25Å; I326-I330 PolarHBondContact O-N 3.2Å; I326-T475 HydrophobicContact CD1-CG2 4.24Å; I326-T475 HydrophobicContact CG1-CG2 4.24Å
327	A	91.2	Very high	94.6	Very high	22 Å²	22	9 Å²	9	18%	0.182	5%	0.052	C	C	.	.	H	α-helix	trans	-62.4	-36.9	-178.3	0	0	0	0	0	112.3	H325 Y331	H325-A327 VanDerWaalsContact C-N 3.26Å; H325-A327 WeakPolarHBondContact ND1-CB 3.5Å; H325-A327 PolarHBondContact ND1-N 2.68Å; H325-A327 PolarHBondContact O-N 2.92Å; H325-A327 VanDerWaalsContact O-N 3.13Å; A327-Y331 WeakPolarHBondContact O-CB 3.17Å; A327-Y331 PolarHBondContact O-N 3.34Å
328	A	92.4	Very high	94.6	Very high	2 Å²	2	9.7 Å²	9.7	2%	0.017	6%	0.055	C	C	.	.	H	α-helix	trans	-72.1	-42.1	175.5	0	0	0	0	0	110.9	L321 P322 L323 H325 I326 I330 Y331 D332	L321-A328 HydrophobicContact CB-CB 3.89Å; L321-A328 WeakPolarHBondContact O-CB 3.42Å; P322-A328 WeakPolarHBondContact O-CB 3.07Å; L323-A328 HydrophobicContact CD2-CB 4.23Å; H325-A328 PolarHBondContact O-N 2.75Å; H325-A328 VanDerWaalsContact O-N 3.08Å; I326-A328 VanDerWaalsContact C-N 3.29Å; I326-A328 PolarHBondContact O-N 2.9Å; A328-I330 PolarHBondContact O-N 3.17Å; A328-Y331 PolarHBondContact O-N 2.91Å; A328-D332 WeakPolarHBondContact O-CA 3.37Å; A328-D332 WeakPolarHBondContact O-CB 3.46Å; A328-D332 PolarHBondContact O-N 2.82Å
329	Q	96.9	Very high	94.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.059	C	C	.	.	I	π-helix	trans	-62.5	-44.5	175.5	-63.4	-170.7	14.5	0	0	112.6	W165 L323 H325 I326 L333 W334	W165-Q329 HydrophobicContact CH2-CG 4.26Å; L323-Q329 WeakPolarHBondContact O-CG 3.48Å; L323-Q329 PolarHBondContact O-NE2 3.23Å; H325-Q329 PolarHBondContact O-N 2.95Å; I326-Q329 HydrophobicContact CD1-CB 4.4Å; I326-Q329 PolarHBondContact O-N 2.9Å; Q329-L333 WeakPolarHBondContact O-CA 3.43Å; Q329-L333 VanDerWaalsContact O-CB 3.31Å; Q329-L333 WeakPolarHBondContact O-CB 3.48Å; Q329-L333 PolarHBondContact O-N 3.44Å; Q329-L333 VanDerWaalsContact O-N 3.08Å; Q329-W334 VanDerWaalsContact C-CD1 3.49Å; Q329-W334 PolarHBondContact O-N 3.06Å
330	I	97.5	Very high	94.6	Very high	8 Å²	8	10.9 Å²	10.9	4%	0.041	6%	0.059	C	C	.	.	I	π-helix	trans	-64.6	-47.2	178.4	-70.2	-68.4	0	0	0	110.6	I294 T297 I326 A328 T335 T475	I294-I330 HydrophobicContact CD1-CD1 4.33Å; T297-I330 HydrophobicContact CG2-CD1 4.13Å; T297-I330 HydrophobicContact CG2-CG1 4.42Å; T297-I330 HydrophobicContact CG2-CG2 4.07Å; I326-I330 HydrophobicContact CD1-CD1 4.36Å; I326-I330 HydrophobicContact CD1-CG1 3.88Å; I326-I330 HydrophobicContact CG1-CG1 3.94Å; I326-I330 WeakPolarHBondContact O-CB 3.22Å; I326-I330 WeakPolarHBondContact O-CG1 3.25Å; I326-I330 PolarHBondContact O-N 3.2Å; A328-I330 PolarHBondContact O-N 3.17Å; I330-T335 WeakPolarHBondContact O-CB 3.45Å; I330-T335 PolarHBondContact O-N 3.37Å; I330-T335 PolarHBondContact O-OG1 2.99Å; I330-T475 HydrophobicContact CD1-CG2 4.2Å; I330-T475 WeakPolarHBondContact CG1-O 3.03Å
331	Y	95.9	Very high	94.8	Very high	27 Å²	27	11 Å²	11	11%	0.106	6%	0.061	C	C	.	.	I	π-helix	trans	-76.4	-48.1	-174.6	-177.1	-97.4	0	0	0	113.1	V317 A327 A328 S366 H367 M368 F444	V317-Y331 HydrophobicContact CB-CE1 4.18Å; V317-Y331 HydrophobicContact CG1-CE1 4.03Å; A327-Y331 WeakPolarHBondContact O-CB 3.17Å; A327-Y331 PolarHBondContact O-N 3.34Å; A328-Y331 PolarHBondContact O-N 2.91Å; Y331-S366 VanDerWaalsContact OH-CB 3.28Å; Y331-S366 WeakPolarHBondContact OH-CB 3.19Å; Y331-S366 PolarHBondContact OH-O 2.65Å; Y331-S366 PolarHBondContact OH-OG 2.62Å; Y331-H367 PolarHBondContact OH-N 3.46Å; Y331-M368 HydrophobicContact CD1-CB 3.58Å; Y331-M368 HydrophobicContact CD1-CG 4.28Å; Y331-M368 HydrophobicContact CD2-CB 4.21Å; Y331-M368 HydrophobicContact CE1-CB 3.46Å; Y331-M368 VanDerWaalsContact CE1-CB 3.46Å; Y331-M368 HydrophobicContact CE2-CB 4.08Å; Y331-M368 HydrophobicContact CG-CB 3.98Å; Y331-M368 HydrophobicContact CG-CG 4.35Å; Y331-F444 AromaticContact CE2-CD2 3.77Å; Y331-F444 HydrophobicContact CE2-CD2 3.77Å; Y331-F444 HydrophobicContact CE2-CE2 4.11Å
332	D	95.2	Very high	95.2	Very high	3 Å²	3	11.2 Å²	11.2	2%	0.016	6%	0.061	C	C	.	.	I	π-helix	trans	-79.4	-50.8	-177	-57.2	-10.6	0	0	0	111.6	F166 S319 L323 A328 V343	F166-D332 HydrophobicContact CZ-CB 3.93Å; S319-D332 WeakPolarHBondContact CA-OD2 3.34Å; S319-D332 VanDerWaalsContact CB-OD2 3.27Å; S319-D332 WeakPolarHBondContact CB-OD2 3.13Å; S319-D332 PolarHBondContact OG-OD2 2.88Å; L323-D332 HydrophobicContact CD2-CB 4.3Å; A328-D332 WeakPolarHBondContact O-CA 3.37Å; A328-D332 WeakPolarHBondContact O-CB 3.46Å; A328-D332 PolarHBondContact O-N 2.82Å; D332-V343 HydrophobicContact CB-CG1 4.48Å; D332-V343 WeakPolarHBondContact O-CG2 3.37Å
333	L	97.9	Very high	95.7	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.005	5%	0.048	C	C	.	.	I	π-helix	trans	-91.4	-62.6	-168	166.7	61.6	0	0	0	112.7	Y133 W165 F166 A169 V170 Q329 G336 I337	Y133-L333 WeakPolarHBondContact OH-CD1 3.41Å; W165-L333 HydrophobicContact CZ3-CD2 3.93Å; F166-L333 HydrophobicContact CD1-CD1 4.44Å; F166-L333 HydrophobicContact CD2-CB 4.41Å; F166-L333 HydrophobicContact CD2-CD1 3.54Å; F166-L333 HydrophobicContact CE1-CB 4.02Å; F166-L333 HydrophobicContact CE2-CB 3.86Å; F166-L333 HydrophobicContact CE2-CD1 3.78Å; F166-L333 HydrophobicContact CE2-CG 4.43Å; F166-L333 HydrophobicContact CG-CD1 3.91Å; F166-L333 HydrophobicContact CZ-CB 3.63Å; F166-L333 HydrophobicContact CZ-CD1 4.31Å; A169-L333 HydrophobicContact CB-CD2 4.03Å; V170-L333 HydrophobicContact CG2-CD1 4.13Å; Q329-L333 WeakPolarHBondContact O-CA 3.43Å; Q329-L333 VanDerWaalsContact O-CB 3.31Å; Q329-L333 WeakPolarHBondContact O-CB 3.48Å; Q329-L333 PolarHBondContact O-N 3.44Å; Q329-L333 VanDerWaalsContact O-N 3.08Å; L333-G336 PolarHBondContact O-N 3.49Å; L333-I337 HydrophobicContact CD1-CD1 3.83Å; L333-I337 PolarHBondContact O-N 2.76Å; L333-I337 VanDerWaalsContact O-N 3.11Å
334	W	98.2	Very high	96	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.05	C	C	.	.	I	π-helix	trans	-76.7	-40.9	-167.3	-54.3	123.5	0	0	0	112.6	V100 M103 V170 V173 V273 I294 A298 Q329 G336 I337 Q338	V100-W334 HydrophobicContact CG1-CE3 4.05Å; V100-W334 HydrophobicContact CG1-CH2 3.99Å; V100-W334 HydrophobicContact CG1-CZ3 3.39Å; M103-W334 HydrophobicContact CE-CB 4.48Å; M103-W334 HydrophobicContact CE-CE3 4.02Å; V170-W334 HydrophobicContact CG2-CH2 4.46Å; V170-W334 HydrophobicContact CG2-CZ3 4.11Å; V173-W334 HydrophobicContact CG2-CH2 4.29Å; V273-W334 HydrophobicContact CG2-CZ2 4.04Å; I294-W334 HydrophobicContact CG2-CB 3.99Å; I294-W334 HydrophobicContact CG2-CD2 3.49Å; I294-W334 VanDerWaalsContact CG2-CD2 3.49Å; I294-W334 HydrophobicContact CG2-CE3 4.08Å; I294-W334 HydrophobicContact CG2-CG 3.44Å; I294-W334 VanDerWaalsContact CG2-CG 3.44Å; A298-W334 HydrophobicContact CB-CB 3.72Å; Q329-W334 VanDerWaalsContact C-CD1 3.49Å; Q329-W334 PolarHBondContact O-N 3.06Å; W334-G336 VanDerWaalsContact C-N 3.3Å; W334-I337 HydrophobicContact CE3-CD1 4.14Å; W334-I337 HydrophobicContact CZ3-CD1 4.28Å; W334-I337 PolarHBondContact O-N 3.37Å; W334-Q338 WeakPolarHBondContact O-CB 3.15Å; W334-Q338 PolarHBondContact O-N 3.35Å
335	T	96.7	Very high	96.3	Very high	7 Å²	7	9.8 Å²	9.8	4%	0.043	5%	0.051	C	C	.	.	H	α-helix	trans	-63	-38.1	171	-65.1	0	0	0	0	111	I307 I330 Q338 W339	I307-T335 HydrophobicContact CB-CG2 4.46Å; I307-T335 HydrophobicContact CG1-CG2 4.23Å; I307-T335 HydrophobicContact CG2-CG2 3.89Å; I330-T335 WeakPolarHBondContact O-CB 3.45Å; I330-T335 PolarHBondContact O-N 3.37Å; I330-T335 PolarHBondContact O-OG1 2.99Å; T335-Q338 PolarHBondContact O-N 3.19Å; T335-W339 PolarHBondContact O-N 2.92Å
336	G	96.3	Very high	96.5	Very high	3 Å²	3	8.2 Å²	8.2	3%	0.031	5%	0.045	C	C	.	.	H	α-helix	trans	-54.8	-53.8	173.6	0	0	0	0	0	111.5	Y130 L333 W334 Q338 G340 A341	Y130-G336 PolarHBondContact OH-O 2.97Å; L333-G336 PolarHBondContact O-N 3.49Å; W334-G336 VanDerWaalsContact C-N 3.3Å; G336-Q338 PolarHBondContact O-N 2.68Å; G336-G340 WeakPolarHBondContact O-CA 3.47Å; G336-G340 PolarHBondContact O-N 2.76Å; G336-A341 PolarHBondContact O-N 3.17Å
337	I	98.2	Very high	96.1	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.01	6%	0.055	C	C	.	.	H	α-helix	trans	-61.5	-44.9	176.6	-65.1	164.2	0	0	0	112	M103 F104 A107 Y133 V170 L333 W334 W339	M103-I337 HydrophobicContact CE-CB 4.2Å; M103-I337 HydrophobicContact CE-CG2 4Å; M103-I337 HydrophobicContact CG-CG2 4.43Å; F104-I337 HydrophobicContact CB-CG2 3.77Å; F104-I337 HydrophobicContact CD1-CD1 3.77Å; F104-I337 HydrophobicContact CD1-CG1 4.23Å; F104-I337 HydrophobicContact CD1-CG2 4.1Å; F104-I337 HydrophobicContact CD2-CG2 4.02Å; F104-I337 HydrophobicContact CE1-CD1 3.88Å; F104-I337 HydrophobicContact CE1-CG1 4.22Å; F104-I337 HydrophobicContact CG-CD1 4.46Å; F104-I337 HydrophobicContact CG-CG2 3.68Å; A107-I337 HydrophobicContact CB-CG2 4.39Å; A107-I337 VanDerWaalsContact CB-O 3.23Å; A107-I337 WeakPolarHBondContact CB-O 3.35Å; Y133-I337 HydrophobicContact CE1-CD1 4.18Å; Y133-I337 HydrophobicContact CE1-CG1 4.08Å; V170-I337 HydrophobicContact CG2-CD1 3.97Å; L333-I337 HydrophobicContact CD1-CD1 3.83Å; L333-I337 PolarHBondContact O-N 2.76Å; L333-I337 VanDerWaalsContact O-N 3.11Å; W334-I337 HydrophobicContact CE3-CD1 4.14Å; W334-I337 HydrophobicContact CZ3-CD1 4.28Å; W334-I337 PolarHBondContact O-N 3.37Å; I337-W339 PolarHBondContact O-N 2.95Å
338	Q	97.8	Very high	95.6	Very high	19 Å²	19	12.8 Å²	12.8	9%	0.089	7%	0.071	C	C	.	.	H	α-helix	trans	-66.3	-31.9	-175	-179.1	56.3	87.2	0	0	113.9	Y98 M103 A298 R299 W334 T335 G336	Y98-Q338 PolarHBondContact OH-OE1 3.5Å; M103-Q338 HydrophobicContact CG-CB 4.4Å; M103-Q338 HydrophobicContact SD-CB 3.97Å; M103-Q338 HydrophobicContact SD-CG 4.49Å; A298-Q338 HydrophobicContact CB-CB 4.27Å; A298-Q338 WeakPolarHBondContact O-CG 3.43Å; R299-Q338 HydrophobicContact CB-CG 3.93Å; R299-Q338 HydrophobicContact CG-CG 4.43Å; W334-Q338 WeakPolarHBondContact O-CB 3.15Å; W334-Q338 PolarHBondContact O-N 3.35Å; T335-Q338 PolarHBondContact O-N 3.19Å; G336-Q338 PolarHBondContact O-N 2.68Å
339	W	97.3	Very high	94.9	Very high	29 Å²	29	16.3 Å²	16.3	11%	0.11	9%	0.089	C	C	.	.	H	α-helix	trans	-121	0.6	-174.5	-61.6	110.8	0	0	0	115.1	Y111 A298 R299 S302 Q303 I307 P309 A310 T335 I337	Y111-W339 VanDerWaalsContact CE2-C 3.47Å; A298-W339 PolarHBondContact O-NE1 2.85Å; R299-W339 HydrophobicContact CG-CZ2 4.01Å; R299-W339 WeakPolarHBondContact O-CZ2 3.23Å; S302-W339 PolarHBondContact OG-NE1 3.03Å; Q303-W339 HydrophobicContact CB-CZ2 4.24Å; I307-W339 HydrophobicContact CG2-CB 4.1Å; I307-W339 HydrophobicContact CG2-CG 4.06Å; P309-W339 HydrophobicContact CB-CE3 3.88Å; P309-W339 HydrophobicContact CB-CZ3 4.22Å; P309-W339 HydrophobicContact CG-CE3 3.83Å; P309-W339 HydrophobicContact CG-CZ3 3.75Å; A310-W339 VanDerWaalsContact CB-O 3.29Å; A310-W339 WeakPolarHBondContact CB-O 3.16Å; A310-W339 PolarHBondContact N-O 3.33Å; T335-W339 PolarHBondContact O-N 2.92Å; I337-W339 PolarHBondContact O-N 2.95Å
340	G	97.6	Very high	94.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	19.3	174.8	0	0	0	0	0	115.1	Y111 Y130 Q314 G336	Y111-G340 VanDerWaalsContact CD2-CA 3.42Å; Y130-G340 VanDerWaalsContact OH-CA 3.31Å; Y130-G340 WeakPolarHBondContact OH-CA 3.5Å; Q314-G340 WeakPolarHBondContact CG-O 3.4Å; Q314-G340 PolarHBondContact NE2-O 3.09Å; G336-G340 WeakPolarHBondContact O-CA 3.47Å; G336-G340 PolarHBondContact O-N 2.76Å
341	A	97.6	Very high	92.8	Very high	5 Å²	5	19.9 Å²	19.9	4%	0.041	11%	0.108	C	C	.	.			trans	-68.3	143.6	-176.7	0	0	0	0	0	113.4	Y130 E315 G336	Y130-A341 PolarHBondContact OH-N 3.5Å; Y130-A341 PolarHBondContact OH-O 2.85Å; E315-A341 HydrophobicContact CB-CB 3.97Å; E315-A341 CarbonylContact O-C 3.52Å; E315-A341 VanDerWaalsContact O-CA 3.27Å; E315-A341 WeakPolarHBondContact O-CA 3.43Å; E315-A341 WeakPolarHBondContact O-CB 3.34Å; G336-A341 PolarHBondContact O-N 3.17Å
342	Q	98	Very high	91.5	Very high	19 Å²	19	24.4 Å²	24.4	9%	0.089	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	120.7	172.4	-172.7	178.7	41.7	0	0	110.6	S115 A116 E315 V316 V317	S115-Q342 PolarHBondContact OG-NE2 3.41Å; A116-Q342 CarbonylContact O-C 3.57Å; A116-Q342 WeakPolarHBondContact O-CA 3.31Å; E315-Q342 PolarHBondContact O-N 3.14Å; V316-Q342 WeakPolarHBondContact CA-O 3.35Å; V316-Q342 HydrophobicContact CG2-CB 4.31Å; V317-Q342 PolarHBondContact N-O 3.49Å
343	V	98.4	Very high	90.3	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.012	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	112	-179.9	-173.4	0	0	0	0	109.8	A116 L117 G118 F166 V317 D332 F345	A116-V343 PolarHBondContact O-N 3.37Å; L117-V343 CarbonylContact C-O 3.49Å; L117-V343 WeakPolarHBondContact CA-O 3.48Å; L117-V343 HydrophobicContact CD2-CB 4.04Å; L117-V343 HydrophobicContact CD2-CG2 4.47Å; G118-V343 PolarHBondContact N-O 2.89Å; F166-V343 HydrophobicContact CE2-CB 4.43Å; F166-V343 HydrophobicContact CE2-CG1 4.14Å; F166-V343 HydrophobicContact CE2-CG2 4.28Å; F166-V343 HydrophobicContact CZ-CG1 3.99Å; V317-V343 HydrophobicContact CG2-CB 4.22Å; V317-V343 HydrophobicContact CG2-CG1 4.19Å; V317-V343 HydrophobicContact CG2-CG2 3.95Å; D332-V343 HydrophobicContact CB-CG1 4.48Å; D332-V343 WeakPolarHBondContact O-CG2 3.37Å; V343-F345 HydrophobicContact CG1-CZ 4.33Å
344	C	98.1	Very high	89.7	Confident	7 Å²	7	27.3 Å²	27.3	5%	0.047	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.1	176.7	-68.1	0	0	0	0	110.6	G118 W125 V317 V318 S319 V362	G118-C344 CarbonylContact O-C 3.51Å; G118-C344 VanDerWaalsContact O-CA 3.3Å; G118-C344 WeakPolarHBondContact O-CA 3.2Å; W125-C344 HydrophobicContact CH2-CB 4.02Å; W125-C344 HydrophobicContact CZ3-CB 3.91Å; V317-C344 PolarHBondContact O-N 3.41Å; V318-C344 CarbonylContact C-O 3.58Å; V318-C344 VanDerWaalsContact CA-O 3.25Å; V318-C344 WeakPolarHBondContact CA-O 3.31Å; S319-C344 PolarHBondContact N-O 3.16Å; C344-V362 HydrophobicContact CB-CB 4.45Å; C344-V362 HydrophobicContact CB-CG1 3.86Å; C344-V362 HydrophobicContact CB-CG2 3.68Å
345	F	96.9	Very high	89.2	Confident	9 Å²	9	28 Å²	28	4%	0.039	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	134.9	179.4	-65.6	-78.4	0	0	0	111.6	L117 G118 F119 N161 S162 P163 F166 V343	L117-F345 HydrophobicContact CB-CE2 4.22Å; L117-F345 HydrophobicContact CD1-CE2 4.44Å; L117-F345 HydrophobicContact CD2-CE2 4.16Å; L117-F345 HydrophobicContact CD2-CZ 4.37Å; G118-F345 WeakPolarHBondContact O-CD2 3.32Å; G118-F345 PolarHBondContact O-N 3.16Å; F119-F345 HydrophobicContact CB-CB 4.49Å; F119-F345 HydrophobicContact CB-CD2 4.21Å; N161-F345 VanDerWaalsContact C-CD1 3.5Å; N161-F345 HydrophobicContact CB-CD1 3.94Å; N161-F345 HydrophobicContact CB-CE1 4.31Å; S162-F345 VanDerWaalsContact C-CE1 3.48Å; S162-F345 VanDerWaalsContact C-CZ 3.41Å; S162-F345 WeakPolarHBondContact O-CE1 2.98Å; S162-F345 WeakPolarHBondContact O-CZ 3.44Å; P163-F345 HydrophobicContact CB-CE2 4.25Å; P163-F345 HydrophobicContact CG-CD2 3.81Å; P163-F345 HydrophobicContact CG-CE2 3.75Å; F166-F345 AromaticContact CD1-CE1 3.93Å; F166-F345 HydrophobicContact CD1-CE1 3.93Å; F166-F345 AromaticContact CD1-CZ 3.71Å; F166-F345 HydrophobicContact CD1-CZ 3.71Å; F166-F345 HydrophobicContact CD2-CZ 4.13Å; F166-F345 AromaticContact CE1-CE1 3.72Å; F166-F345 HydrophobicContact CE1-CE1 3.72Å; F166-F345 AromaticContact CE1-CZ 3.78Å; F166-F345 HydrophobicContact CE1-CZ 3.78Å; F166-F345 HydrophobicContact CE2-CZ 4.17Å; F166-F345 AromaticContact CG-CZ 3.91Å; F166-F345 HydrophobicContact CG-CZ 3.91Å; F166-F345 HydrophobicContact CZ-CE1 4.17Å; F166-F345 HydrophobicContact CZ-CZ 4Å; V343-F345 HydrophobicContact CG1-CZ 4.33Å
346	A	93.8	Very high	88.9	Confident	7 Å²	7	29.7 Å²	29.7	6%	0.058	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-82.9	159.6	174.2	0	0	0	0	0	112.3	V318 S319 A350 L355 T358	V318-A346 HydrophobicContact CG1-CB 3.85Å; S319-A346 PolarHBondContact O-N 3.14Å; A346-A350 HydrophobicContact CB-CB 3.83Å; A346-L355 HydrophobicContact CB-CD1 4.47Å; A346-T358 HydrophobicContact CB-CG2 4.08Å
347	D	86.8	Confident	88.6	Confident	40 Å²	40	33.6 Å²	33.6	21%	0.214	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-63.5	146.6	175.2	-62.2	-68.1	0	0	0	110.5	K120 D349 A350	K120-D347 WeakPolarHBondContact CD-OD1 3.45Å; K120-D347 IonicContact NZ-OD1 3.86Å; K120-D347 IonicContact NZ-OD2 2.8Å; K120-D347 PolarHBondContact NZ-OD2 3.3Å; D347-D349 WeakPolarHBondContact CB-OD1 3.32Å; D347-D349 PolarHBondContact O-N 3.18Å; D347-A350 VanDerWaalsContact O-CB 3.25Å; D347-A350 WeakPolarHBondContact O-CB 3.47Å; D347-A350 PolarHBondContact O-N 2.94Å
348	P	79.8	Confident	88.4	Confident	79 Å²	79	33.5 Å²	33.5	51%	0.513	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-16.2	-172.7	-27.7	36.2	0	0	0	116.3	F160	F160-P348 HydrophobicContact CD1-CB 4.2Å; F160-P348 HydrophobicContact CD1-CG 4.38Å; F160-P348 HydrophobicContact CG-CB 4.41Å
349	D	78.6	Confident	88.2	Confident	76 Å²	76	32.7 Å²	32.7	41%	0.406	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	11.4	175.4	70.1	-30.6	0	0	0	113.4	D347 L351 K352 G353 S354	D347-D349 WeakPolarHBondContact CB-OD1 3.32Å; D347-D349 PolarHBondContact O-N 3.18Å; D349-L351 VanDerWaalsContact C-N 3.31Å; D349-L351 PolarHBondContact O-N 3.49Å; D349-K352 HydrophobicContact CB-CB 4.34Å; D349-K352 CarbonylContact O-C 3.53Å; D349-K352 WeakPolarHBondContact O-CA 3.38Å; D349-K352 VanDerWaalsContact O-CB 3.29Å; D349-K352 WeakPolarHBondContact O-CB 3.23Å; D349-K352 PolarHBondContact O-N 3Å; D349-G353 PolarHBondContact O-N 2.91Å; D349-G353 VanDerWaalsContact O-N 3.13Å; D349-S354 PolarHBondContact O-OG 2.93Å; D349-S354 VanDerWaalsContact OD1-CB 3.27Å; D349-S354 WeakPolarHBondContact OD1-CB 3.49Å; D349-S354 PolarHBondContact OD1-OG 2.94Å; D349-S354 WeakPolarHBondContact OD2-CB 3.42Å; D349-S354 PolarHBondContact OD2-OG 3.35Å
350	A	80.3	Confident	88	Confident	4 Å²	4	38.3 Å²	38.3	3%	0.033	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-47.4	-49.6	-177.9	0	0	0	0	0	113.2	A346 D347 K352 G353 S354 L355	A346-A350 HydrophobicContact CB-CB 3.83Å; D347-A350 VanDerWaalsContact O-CB 3.25Å; D347-A350 WeakPolarHBondContact O-CB 3.47Å; D347-A350 PolarHBondContact O-N 2.94Å; A350-K352 VanDerWaalsContact C-N 3.27Å; A350-K352 PolarHBondContact O-N 2.97Å; A350-G353 PolarHBondContact O-N 3.4Å; A350-S354 VanDerWaalsContact CA-OG 3.24Å; A350-S354 WeakPolarHBondContact CA-OG 3.38Å; A350-S354 PolarHBondContact N-OG 2.94Å; A350-S354 VanDerWaalsContact N-OG 3.12Å; A350-L355 HydrophobicContact CB-CB 4.09Å; A350-L355 HydrophobicContact CB-CD1 4.37Å; A350-L355 WeakPolarHBondContact O-CB 3.43Å; A350-L355 PolarHBondContact O-N 2.86Å
351	L	68.9	Low	87.9	Confident	78 Å²	78	43 Å²	43	41%	0.408	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-72.5	-15.9	179.8	-65.1	175.2	0	0	0	114	Y320 D349 V373 K376	Y320-L351 HydrophobicContact CD2-CD2 3.7Å; Y320-L351 HydrophobicContact CD2-CG 4.36Å; Y320-L351 HydrophobicContact CE2-CD2 3.81Å; D349-L351 VanDerWaalsContact C-N 3.31Å; D349-L351 PolarHBondContact O-N 3.49Å; L351-V373 HydrophobicContact CD2-CG2 4.42Å; L351-K376 PolarHBondContact O-NZ 3.13Å
352	K	68.6	Low	87.7	Confident	122 Å²	122	44 Å²	44	53%	0.53	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-84.9	-19.6	172.7	-58.6	-168.2	174	-168.3	0	112.9	D349 A350 E615	D349-K352 HydrophobicContact CB-CB 4.34Å; D349-K352 CarbonylContact O-C 3.53Å; D349-K352 WeakPolarHBondContact O-CA 3.38Å; D349-K352 VanDerWaalsContact O-CB 3.29Å; D349-K352 WeakPolarHBondContact O-CB 3.23Å; D349-K352 PolarHBondContact O-N 3Å; A350-K352 VanDerWaalsContact C-N 3.27Å; A350-K352 PolarHBondContact O-N 2.97Å; K352-E615 PolarHBondContact NZ-O 3.17Å
353	G	71.3	Confident	87.6	Confident	55 Å²	55	45.5 Å²	45.5	57%	0.567	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	151.1	-13.2	169.7	0	0	0	0	0	116.1	D349 A350 L355	D349-G353 PolarHBondContact O-N 2.91Å; D349-G353 VanDerWaalsContact O-N 3.13Å; A350-G353 PolarHBondContact O-N 3.4Å; G353-L355 VanDerWaalsContact C-N 3.3Å; G353-L355 PolarHBondContact O-N 2.59Å
354	S	84.9	Confident	87.5	Confident	11 Å²	11	45.4 Å²	45.4	8%	0.077	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-12.8	-175.6	67.6	0	0	0	0	114.6	D349 A350 V356 N357	D349-S354 PolarHBondContact O-OG 2.93Å; D349-S354 VanDerWaalsContact OD1-CB 3.27Å; D349-S354 WeakPolarHBondContact OD1-CB 3.49Å; D349-S354 PolarHBondContact OD1-OG 2.94Å; D349-S354 WeakPolarHBondContact OD2-CB 3.42Å; D349-S354 PolarHBondContact OD2-OG 3.35Å; A350-S354 VanDerWaalsContact CA-OG 3.24Å; A350-S354 WeakPolarHBondContact CA-OG 3.38Å; A350-S354 PolarHBondContact N-OG 2.94Å; A350-S354 VanDerWaalsContact N-OG 3.12Å; S354-V356 PolarHBondContact O-N 3.5Å; S354-V356 VanDerWaalsContact O-N 3.07Å; S354-N357 WeakPolarHBondContact O-CA 3.38Å; S354-N357 VanDerWaalsContact O-CB 3.26Å; S354-N357 WeakPolarHBondContact O-CB 3.45Å; S354-N357 PolarHBondContact O-N 2.84Å
355	L	88.3	Confident	87.4	Confident	13 Å²	13	46 Å²	46	7%	0.068	25%	0.246	C	C	.	.	H	α-helix	trans	-49.7	-41.1	-174.9	177.6	61.6	0	0	0	113.5	V318 Y320 A346 A350 G353 N357 T358 L359 V373	V318-L355 HydrophobicContact CG1-CD1 4.13Å; Y320-L355 HydrophobicContact CD1-CD1 3.86Å; Y320-L355 HydrophobicContact CD2-CD1 4.13Å; Y320-L355 HydrophobicContact CD2-CD2 3.93Å; Y320-L355 HydrophobicContact CE1-CD1 4.32Å; Y320-L355 HydrophobicContact CE1-CD2 4.34Å; Y320-L355 HydrophobicContact CE2-CD2 3.67Å; Y320-L355 HydrophobicContact CG-CD1 3.77Å; Y320-L355 HydrophobicContact CG-CD2 4.37Å; A346-L355 HydrophobicContact CB-CD1 4.47Å; A350-L355 HydrophobicContact CB-CB 4.09Å; A350-L355 HydrophobicContact CB-CD1 4.37Å; A350-L355 WeakPolarHBondContact O-CB 3.43Å; A350-L355 PolarHBondContact O-N 2.86Å; G353-L355 VanDerWaalsContact C-N 3.3Å; G353-L355 PolarHBondContact O-N 2.59Å; L355-N357 PolarHBondContact O-N 3.02Å; L355-T358 PolarHBondContact O-N 3.39Å; L355-L359 HydrophobicContact CD1-CD1 4.45Å; L355-L359 HydrophobicContact CD1-CG 4.18Å; L355-L359 HydrophobicContact CD2-CD1 4.48Å; L355-L359 HydrophobicContact CG-CD1 3.95Å; L355-L359 HydrophobicContact CG-CG 4.16Å; L355-L359 WeakPolarHBondContact O-CG 3.46Å; L355-L359 PolarHBondContact O-N 2.86Å; L355-V373 HydrophobicContact CD2-CG1 4.09Å
356	V	89.1	Confident	87.4	Confident	43 Å²	43	45.6 Å²	45.6	26%	0.261	24%	0.244	S	C	.	.	H	α-helix	trans	-63.9	-28.4	-179.8	-179.5	0	0	0	0	112	S354 R360	S354-V356 PolarHBondContact O-N 3.5Å; S354-V356 VanDerWaalsContact O-N 3.07Å; V356-R360 HydrophobicContact CG1-CG 4.38Å; V356-R360 WeakPolarHBondContact O-CB 3.04Å; V356-R360 WeakPolarHBondContact O-CG 3.45Å; V356-R360 PolarHBondContact O-N 2.97Å
357	N	90.6	Very high	87.5	Confident	86 Å²	86	45.3 Å²	45.3	46%	0.46	24%	0.242	S	C	.	.	H	α-helix	trans	-67.2	-49.8	174.3	-58.3	-30.8	0	0	0	110.2	S354 L355 L359 R360 E361	S354-N357 WeakPolarHBondContact O-CA 3.38Å; S354-N357 VanDerWaalsContact O-CB 3.26Å; S354-N357 WeakPolarHBondContact O-CB 3.45Å; S354-N357 PolarHBondContact O-N 2.84Å; L355-N357 PolarHBondContact O-N 3.02Å; N357-L359 VanDerWaalsContact C-N 3.35Å; N357-L359 PolarHBondContact O-N 2.72Å; N357-R360 PolarHBondContact O-N 3.4Å; N357-E361 WeakPolarHBondContact O-CG 3.05Å; N357-E361 PolarHBondContact O-N 3.36Å
358	T	93.4	Very high	87.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.6	-44.8	174.6	-42.1	0	0	0	0	111.6	W125 V318 A346 L355 R360 E361 V362	W125-T358 HydrophobicContact CH2-CG2 4.1Å; W125-T358 HydrophobicContact CZ2-CG2 4.19Å; V318-T358 HydrophobicContact CG1-CG2 3.9Å; V318-T358 HydrophobicContact CG2-CG2 4.41Å; A346-T358 HydrophobicContact CB-CG2 4.08Å; L355-T358 PolarHBondContact O-N 3.39Å; T358-R360 VanDerWaalsContact C-N 3.29Å; T358-R360 PolarHBondContact O-N 3.3Å; T358-E361 PolarHBondContact O-N 2.99Å; T358-V362 HydrophobicContact CG2-CG2 4.1Å; T358-V362 WeakPolarHBondContact O-CB 3.43Å; T358-V362 WeakPolarHBondContact O-CG2 3.43Å; T358-V362 PolarHBondContact O-N 3.22Å
359	L	94.5	Very high	88.2	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-38.9	177.9	-68.2	173.7	0	0	0	112.1	V318 L355 N357 E363 P364 L435 G436 F437	V318-L359 HydrophobicContact CB-CD2 4.17Å; V318-L359 HydrophobicContact CG2-CD2 4.02Å; L355-L359 HydrophobicContact CD1-CD1 4.45Å; L355-L359 HydrophobicContact CD1-CG 4.18Å; L355-L359 HydrophobicContact CD2-CD1 4.48Å; L355-L359 HydrophobicContact CG-CD1 3.95Å; L355-L359 HydrophobicContact CG-CG 4.16Å; L355-L359 WeakPolarHBondContact O-CG 3.46Å; L355-L359 PolarHBondContact O-N 2.86Å; N357-L359 VanDerWaalsContact C-N 3.35Å; N357-L359 PolarHBondContact O-N 2.72Å; L359-E363 WeakPolarHBondContact O-CA 3.31Å; L359-E363 PolarHBondContact O-N 2.87Å; L359-P364 HydrophobicContact CD2-CG 3.72Å; L359-P364 WeakPolarHBondContact O-CD 3.44Å; L359-L435 WeakPolarHBondContact CB-O 3.18Å; L359-G436 WeakPolarHBondContact O-CA 3.19Å; L359-F437 HydrophobicContact CD1-CE1 3.94Å; L359-F437 HydrophobicContact CD1-CZ 3.96Å; L359-F437 HydrophobicContact CD2-CE1 4.14Å
360	R	93.6	Very high	88.4	Confident	148 Å²	148	38.9 Å²	38.9	56%	0.558	20%	0.204	S	C	*	.	H	α-helix	trans	-72.7	-30.1	177	-72.5	172.2	68.5	-168.1	-3.7	113.9	V356 N357 T358 A434	V356-R360 HydrophobicContact CG1-CG 4.38Å; V356-R360 WeakPolarHBondContact O-CB 3.04Å; V356-R360 WeakPolarHBondContact O-CG 3.45Å; V356-R360 PolarHBondContact O-N 2.97Å; N357-R360 PolarHBondContact O-N 3.4Å; T358-R360 VanDerWaalsContact C-N 3.29Å; T358-R360 PolarHBondContact O-N 3.3Å; R360-A434 VanDerWaalsContact CD-O 3.24Å; R360-A434 WeakPolarHBondContact CD-O 3.49Å; R360-A434 WeakPolarHBondContact CG-O 3.32Å
361	E	93.8	Very high	88.4	Confident	99 Å²	99	39.1 Å²	39.1	46%	0.463	21%	0.205	S	C	.	.	H	α-helix	trans	-76.4	-39	175.5	-71.1	175.6	-128.3	0	0	112	K120 W125 N357 T358	K120-E361 WeakPolarHBondContact CE-OE2 3.35Å; K120-E361 IonicContact NZ-OE1 3.26Å; K120-E361 PolarHBondContact NZ-OE1 3.46Å; K120-E361 IonicContact NZ-OE2 3.85Å; K120-E361 PolarHBondContact NZ-OE2 3.14Å; W125-E361 PolarHBondContact NE1-OE2 3.01Å; N357-E361 WeakPolarHBondContact O-CG 3.05Å; N357-E361 PolarHBondContact O-N 3.36Å; T358-E361 PolarHBondContact O-N 2.99Å
362	V	95	Very high	88.7	Confident	24 Å²	24	39.1 Å²	39.1	15%	0.145	20%	0.199	C	C	.	.	H	α-helix	trans	-87.2	-33.2	-174.9	174.8	0	0	0	0	112.7	W125 V316 V318 C344 T358	W125-V362 HydrophobicContact CH2-CG2 3.66Å; W125-V362 HydrophobicContact CZ2-CG2 3.66Å; W125-V362 HydrophobicContact CZ3-CG2 4.47Å; V316-V362 HydrophobicContact CG1-CG1 3.51Å; V318-V362 HydrophobicContact CG2-CB 3.91Å; V318-V362 HydrophobicContact CG2-CG1 3.78Å; V318-V362 HydrophobicContact CG2-CG2 4.13Å; C344-V362 HydrophobicContact CB-CB 4.45Å; C344-V362 HydrophobicContact CB-CG1 3.86Å; C344-V362 HydrophobicContact CB-CG2 3.68Å; T358-V362 HydrophobicContact CG2-CG2 4.1Å; T358-V362 WeakPolarHBondContact O-CB 3.43Å; T358-V362 WeakPolarHBondContact O-CG2 3.43Å; T358-V362 PolarHBondContact O-N 3.22Å
363	E	95.3	Very high	89.3	Confident	52 Å²	52	34 Å²	34	24%	0.243	18%	0.178	C	C	.	.			trans	47	62.7	-170.3	-60.9	-168.9	125	0	0	113.4	L359 G436 K439	L359-E363 WeakPolarHBondContact O-CA 3.31Å; L359-E363 PolarHBondContact O-N 2.87Å; E363-G436 WeakPolarHBondContact CA-O 3.36Å; E363-K439 HydrophobicContact CB-CD 3.94Å; E363-K439 VanDerWaalsContact OE2-CE 3.27Å; E363-K439 WeakPolarHBondContact OE2-CE 3.38Å; E363-K439 IonicContact OE2-NZ 2.68Å; E363-K439 PolarHBondContact OE2-NZ 3.25Å
364	P	96.8	Very high	89.9	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.151	C	C	.	.			trans	-60	148.3	-173.9	26.1	-35.4	0	0	0	112.9	V316 V318 L359 K439 C440	V316-P364 CarbonylContact O-C 3.4Å; V316-P364 VanDerWaalsContact O-CA 3.29Å; V316-P364 WeakPolarHBondContact O-CA 3.34Å; V316-P364 WeakPolarHBondContact O-CB 3.44Å; V318-P364 HydrophobicContact CG2-CB 4.39Å; V318-P364 HydrophobicContact CG2-CG 4.26Å; L359-P364 HydrophobicContact CD2-CG 3.72Å; L359-P364 WeakPolarHBondContact O-CD 3.44Å; P364-K439 CarbonylContact O-C 3.56Å; P364-C440 WeakPolarHBondContact O-CA 3.31Å; P364-C440 VanDerWaalsContact O-CB 3.26Å; P364-C440 WeakPolarHBondContact O-CB 3.39Å; P364-C440 PolarHBondContact O-N 3.5Å
365	T	96.3	Very high	89.7	Confident	19 Å²	19	32.2 Å²	32.2	12%	0.117	15%	0.154	C	C	.	.	S	Bend	trans	-85.9	-25.5	173.3	60.2	0	0	0	0	111.9	E315 V316 K439 C440 Q441 K442	E315-T365 VanDerWaalsContact CA-OG1 3.3Å; E315-T365 WeakPolarHBondContact CA-OG1 3.4Å; E315-T365 VanDerWaalsContact OE2-CB 3.27Å; E315-T365 WeakPolarHBondContact OE2-CB 3.11Å; E315-T365 PolarHBondContact OE2-OG1 3.25Å; V316-T365 PolarHBondContact N-OG1 3.28Å; V316-T365 PolarHBondContact O-N 3.13Å; V316-T365 PolarHBondContact O-OG1 3.49Å; T365-K439 WeakPolarHBondContact CA-O 3.2Å; T365-K439 HydrophobicContact CG2-CB 4.48Å; T365-C440 CarbonylContact O-C 3.44Å; T365-C440 WeakPolarHBondContact O-CA 3.38Å; T365-Q441 PolarHBondContact O-N 2.88Å; T365-K442 PolarHBondContact O-N 2.82Å
366	S	96	Very high	89.2	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	131.2	178.6	-172.1	0	0	0	0	110.8	V316 Y331 K442 F444	V316-S366 PolarHBondContact O-N 2.82Å; Y331-S366 VanDerWaalsContact OH-CB 3.28Å; Y331-S366 WeakPolarHBondContact OH-CB 3.19Å; Y331-S366 PolarHBondContact OH-O 2.65Å; Y331-S366 PolarHBondContact OH-OG 2.62Å; S366-K442 CarbonylContact C-O 3.58Å; S366-K442 VanDerWaalsContact CA-O 3.3Å; S366-K442 WeakPolarHBondContact CA-O 3.49Å; S366-K442 WeakPolarHBondContact OG-CB 3.49Å; S366-K442 PolarHBondContact OG-O 2.87Å; S366-F444 WeakPolarHBondContact OG-CE2 3.49Å
367	H	95.7	Very high	89.2	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.9	-179.1	-176.2	71.1	0	0	0	111	Y320 Y331 W374 F437 K442 N443 F444	Y320-H367 AromaticContact CE1-CE1 3.57Å; Y320-H367 AromaticContact CZ-CE1 3.89Å; Y331-H367 PolarHBondContact OH-N 3.46Å; H367-W374 AromaticContact CD2-CH2 3.68Å; H367-W374 AromaticContact CD2-CZ2 3.61Å; H367-F437 HydrophobicContact CB-CE1 3.9Å; H367-F437 AromaticContact CD2-CE1 3.8Å; H367-F437 AromaticContact CD2-CZ 3.64Å; H367-F437 AromaticContact CG-CE1 3.69Å; H367-F437 AromaticContact NE2-CZ 3.98Å; H367-K442 PolarHBondContact N-O 3.04Å; H367-N443 CarbonylContact O-C 3.53Å; H367-N443 WeakPolarHBondContact O-CA 3.42Å; H367-F444 PolarHBondContact O-N 3.22Å
368	M	92.8	Very high	88.9	Confident	26 Å²	26	30.1 Å²	30.1	13%	0.128	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.7	173.6	174.8	56.6	171.8	0	0	109.3	Y320 L321 Y331 F444	Y320-M368 WeakPolarHBondContact CE1-O 3.29Å; Y320-M368 PolarHBondContact OH-O 3.38Å; L321-M368 HydrophobicContact CD1-CB 4.49Å; L321-M368 HydrophobicContact CD1-CG 3.88Å; Y331-M368 HydrophobicContact CD1-CB 3.58Å; Y331-M368 HydrophobicContact CD1-CG 4.28Å; Y331-M368 HydrophobicContact CD2-CB 4.21Å; Y331-M368 HydrophobicContact CE1-CB 3.46Å; Y331-M368 VanDerWaalsContact CE1-CB 3.46Å; Y331-M368 HydrophobicContact CE2-CB 4.08Å; Y331-M368 HydrophobicContact CG-CB 3.98Å; Y331-M368 HydrophobicContact CG-CG 4.35Å; M368-F444 HydrophobicContact CB-CB 4.34Å; M368-F444 HydrophobicContact CG-CB 4.5Å; M368-F444 VanDerWaalsContact SD-C 3.58Å; M368-F444 HydrophobicContact SD-CB 3.43Å; M368-F444 WeakPolarHBondContact SD-CB 3.27Å
369	G	88.6	Confident	88.4	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	145.5	176.5	0	0	0	0	0	113.3	Y320 W374 F444 Y445	Y320-G369 VanDerWaalsContact OH-CA 3.24Å; Y320-G369 WeakPolarHBondContact OH-CA 3.35Å; G369-W374 PolarHBondContact O-NE1 2.86Å; G369-F444 PolarHBondContact N-O 3.01Å; G369-Y445 WeakPolarHBondContact O-CA 3.47Å; G369-Y445 VanDerWaalsContact O-CB 3.26Å; G369-Y445 WeakPolarHBondContact O-CB 3.32Å
370	V	83.3	Confident	87.8	Confident	35 Å²	35	38.7 Å²	38.7	21%	0.212	17%	0.172	C	C	.	.			trans	-70.5	157	168.7	-62.8	0	0	0	0	110	L321 R372 V373 A447	L321-V370 HydrophobicContact CD2-CG1 4.48Å; V370-R372 VanDerWaalsContact C-N 3.26Å; V370-R372 PolarHBondContact O-N 3.07Å; V370-R372 VanDerWaalsContact O-N 3.1Å; V370-V373 HydrophobicContact CG2-CG2 3.81Å; V370-V373 WeakPolarHBondContact O-CB 3.14Å; V370-V373 PolarHBondContact O-N 3.11Å; V370-A447 HydrophobicContact CG1-CB 4.27Å
371	P	79.7	Confident	87.5	Confident	9 Å²	9	32.3 Å²	32.3	6%	0.058	15%	0.149	C	C	.	.	H	α-helix	trans	-46.4	-44.2	-178.6	-33	36.8	0	0	0	114.7	V373 W374 E375 G446 A448 P449 M450	P371-V373 PolarHBondContact O-N 3.39Å; P371-V373 VanDerWaalsContact O-N 3.15Å; P371-W374 PolarHBondContact O-N 2.87Å; P371-E375 WeakPolarHBondContact O-CG 3.24Å; P371-E375 PolarHBondContact O-N 3.43Å; P371-G446 WeakPolarHBondContact CD-O 3.29Å; P371-A448 HydrophobicContact CG-CB 4.03Å; P371-A448 WeakPolarHBondContact CG-O 3.39Å; P371-P449 VanDerWaalsContact CG-O 3.24Å; P371-P449 WeakPolarHBondContact CG-O 3.28Å; P371-M450 HydrophobicContact CB-CE 4.1Å; P371-M450 HydrophobicContact CB-SD 3.89Å; P371-M450 HydrophobicContact CG-CE 4.21Å; P371-M450 HydrophobicContact CG-SD 4.43Å
372	R	74.3	Confident	87	Confident	77 Å²	77	30.3 Å²	30.3	29%	0.291	14%	0.139	S	C	.	.	H	α-helix	trans	-60.7	-26.1	178.8	-166.2	65.7	-166	130	7	114.5	V370 E375 K376 E379	V370-R372 VanDerWaalsContact C-N 3.26Å; V370-R372 PolarHBondContact O-N 3.07Å; V370-R372 VanDerWaalsContact O-N 3.1Å; R372-E375 VanDerWaalsContact CD-OE2 3.23Å; R372-E375 WeakPolarHBondContact CD-OE2 3.46Å; R372-E375 IonicContact CZ-OE2 2.71Å; R372-E375 IonicContact NE-OE2 2.81Å; R372-E375 IonicContact NH1-OE2 3.13Å; R372-E375 PolarHBondContact NH1-OE2 3.27Å; R372-K376 WeakPolarHBondContact O-CB 2.95Å; R372-K376 WeakPolarHBondContact O-CG 3.4Å; R372-K376 PolarHBondContact O-N 2.86Å; R372-E379 IonicContact CZ-OE1 2.65Å; R372-E379 IonicContact CZ-OE2 3.86Å; R372-E379 IonicContact NH1-OE1 3.2Å; R372-E379 PolarHBondContact NH1-OE1 3.3Å; R372-E379 IonicContact NH1-OE2 3.56Å; R372-E379 IonicContact NH2-OE1 2.71Å; R372-E379 PolarHBondContact NH2-OE1 3.44Å; R372-E379 VanDerWaalsContact NH2-OE1 3.14Å; R372-E379 IonicContact NH2-OE2 3.92Å; R372-E379 PolarHBondContact NH2-OE2 3.24Å
373	V	81.3	Confident	86.4	Confident	14 Å²	14	32.4 Å²	32.4	9%	0.085	15%	0.147	C	C	.	.	H	α-helix	trans	-72.2	-46.9	174.2	176.4	0	0	0	0	110	Y320 L351 L355 V370 P371 K376 I377	Y320-V373 HydrophobicContact CE2-CG1 4.47Å; Y320-V373 HydrophobicContact CE2-CG2 4.09Å; L351-V373 HydrophobicContact CD2-CG2 4.42Å; L355-V373 HydrophobicContact CD2-CG1 4.09Å; V370-V373 HydrophobicContact CG2-CG2 3.81Å; V370-V373 WeakPolarHBondContact O-CB 3.14Å; V370-V373 PolarHBondContact O-N 3.11Å; P371-V373 PolarHBondContact O-N 3.39Å; P371-V373 VanDerWaalsContact O-N 3.15Å; V373-K376 PolarHBondContact O-N 3.33Å; V373-I377 HydrophobicContact CG1-CD1 4.06Å; V373-I377 WeakPolarHBondContact O-CG1 3.38Å; V373-I377 PolarHBondContact O-N 3.21Å
374	W	84.9	Confident	85.7	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.6	-41.1	176.3	-67.6	107.2	0	0	0	111.9	H367 G369 P371 I377 M378 F437 N443 F444 M450 T454 F458 I463 L465	H367-W374 AromaticContact CD2-CH2 3.68Å; H367-W374 AromaticContact CD2-CZ2 3.61Å; G369-W374 PolarHBondContact O-NE1 2.86Å; P371-W374 PolarHBondContact O-N 2.87Å; W374-I377 HydrophobicContact CE3-CD1 4.44Å; W374-I377 PolarHBondContact O-N 3.48Å; W374-M378 WeakPolarHBondContact O-CB 3.38Å; W374-M378 PolarHBondContact O-N 2.96Å; W374-F437 HydrophobicContact CH2-CE2 4.28Å; W374-F437 HydrophobicContact CH2-CZ 4.18Å; W374-F437 AromaticContact CZ3-CE2 3.87Å; W374-F437 HydrophobicContact CZ3-CE2 3.87Å; W374-F437 HydrophobicContact CZ3-CZ 4.15Å; W374-N443 HydrophobicContact CH2-CB 3.72Å; W374-N443 HydrophobicContact CZ2-CB 4.02Å; W374-F444 PolarHBondContact NE1-O 3.34Å; W374-F444 VanDerWaalsContact NE1-O 3.17Å; W374-M450 HydrophobicContact CB-CE 3.88Å; W374-M450 HydrophobicContact CB-SD 4.36Å; W374-M450 HydrophobicContact CG-CE 3.9Å; W374-T454 HydrophobicContact CB-CG2 4.2Å; W374-F458 HydrophobicContact CB-CE2 3.99Å; W374-F458 HydrophobicContact CB-CZ 4.47Å; W374-F458 HydrophobicContact CE3-CD1 4.15Å; W374-F458 HydrophobicContact CE3-CD2 4.38Å; W374-F458 AromaticContact CE3-CE1 3.77Å; W374-F458 HydrophobicContact CE3-CE1 3.77Å; W374-F458 HydrophobicContact CE3-CE2 4.01Å; W374-F458 HydrophobicContact CE3-CG 4.46Å; W374-F458 AromaticContact CE3-CZ 3.71Å; W374-F458 HydrophobicContact CE3-CZ 3.71Å; W374-F458 HydrophobicContact CZ3-CD1 4.26Å; W374-F458 HydrophobicContact CZ3-CE1 4.03Å; W374-F458 HydrophobicContact CZ3-CZ 4.43Å; W374-F458 VanDerWaalsContact O-CE2 3.26Å; W374-F458 WeakPolarHBondContact O-CE2 3.47Å; W374-F458 WeakPolarHBondContact O-CZ 3.42Å; W374-I463 HydrophobicContact CZ3-CG2 4.47Å; W374-L465 HydrophobicContact CD2-CD1 4.09Å; W374-L465 HydrophobicContact CD2-CD2 3.83Å; W374-L465 HydrophobicContact CE3-CD1 4.31Å; W374-L465 HydrophobicContact CE3-CD2 3.72Å; W374-L465 HydrophobicContact CG-CD1 4.19Å; W374-L465 HydrophobicContact CH2-CD2 3.57Å; W374-L465 HydrophobicContact CZ2-CD2 3.65Å; W374-L465 HydrophobicContact CZ3-CD2 3.6Å
375	E	80.3	Confident	85	Confident	30 Å²	30	34 Å²	34	14%	0.14	16%	0.162	C	C	.	.	H	α-helix	trans	-59.4	-49	172.2	-70.1	168.2	-172.6	0	0	112.2	P371 R372 I377 M378 E379	P371-E375 WeakPolarHBondContact O-CG 3.24Å; P371-E375 PolarHBondContact O-N 3.43Å; R372-E375 VanDerWaalsContact CD-OE2 3.23Å; R372-E375 WeakPolarHBondContact CD-OE2 3.46Å; R372-E375 IonicContact CZ-OE2 2.71Å; R372-E375 IonicContact NE-OE2 2.81Å; R372-E375 IonicContact NH1-OE2 3.13Å; R372-E375 PolarHBondContact NH1-OE2 3.27Å; E375-I377 VanDerWaalsContact C-N 3.28Å; E375-I377 PolarHBondContact O-N 2.82Å; E375-M378 CarbonylContact O-C 3.57Å; E375-M378 WeakPolarHBondContact O-CA 3.4Å; E375-M378 WeakPolarHBondContact O-CB 3.29Å; E375-M378 PolarHBondContact O-N 2.8Å; E375-E379 WeakPolarHBondContact O-CB 3.39Å; E375-E379 VanDerWaalsContact O-CG 3.31Å; E375-E379 WeakPolarHBondContact O-CG 3.11Å; E375-E379 PolarHBondContact O-N 3.08Å
376	K	79.1	Confident	84.1	Confident	74 Å²	74	35 Å²	35	32%	0.322	17%	0.172	S	C	.	.	H	α-helix	trans	-59	-37.9	175.6	-81.2	-174.3	174.8	-166.2	0	112.5	L351 R372 V373 R380	L351-K376 PolarHBondContact O-NZ 3.13Å; R372-K376 WeakPolarHBondContact O-CB 2.95Å; R372-K376 WeakPolarHBondContact O-CG 3.4Å; R372-K376 PolarHBondContact O-N 2.86Å; V373-K376 PolarHBondContact O-N 3.33Å; K376-R380 VanDerWaalsContact O-CB 3.32Å; K376-R380 WeakPolarHBondContact O-CB 3.1Å; K376-R380 PolarHBondContact O-N 3.37Å
377	I	87.1	Confident	83.3	Confident	11 Å²	11	41.2 Å²	41.2	6%	0.056	20%	0.201	C	C	.	.	H	α-helix	trans	-65.8	-42.7	174.7	-68.2	166	0	0	0	110.3	V373 W374 E375 R380 I381 L435 F437 F458	V373-I377 HydrophobicContact CG1-CD1 4.06Å; V373-I377 WeakPolarHBondContact O-CG1 3.38Å; V373-I377 PolarHBondContact O-N 3.21Å; W374-I377 HydrophobicContact CE3-CD1 4.44Å; W374-I377 PolarHBondContact O-N 3.48Å; E375-I377 VanDerWaalsContact C-N 3.28Å; E375-I377 PolarHBondContact O-N 2.82Å; I377-R380 PolarHBondContact O-N 2.53Å; I377-I381 HydrophobicContact CG2-CD1 3.74Å; I377-I381 WeakPolarHBondContact O-CD1 3.29Å; I377-I381 WeakPolarHBondContact O-CG1 3.2Å; I377-I381 PolarHBondContact O-N 3.2Å; I377-L435 HydrophobicContact CG2-CD1 4.42Å; I377-L435 HydrophobicContact CG2-CD2 4.01Å; I377-F437 HydrophobicContact CD1-CE2 4.25Å; I377-F437 HydrophobicContact CD1-CZ 4.24Å; I377-F458 HydrophobicContact CB-CZ 4.05Å; I377-F458 HydrophobicContact CG2-CE1 3.92Å; I377-F458 HydrophobicContact CG2-CZ 3.75Å
378	M	85.9	Confident	82.6	Confident	13 Å²	13	42.6 Å²	42.6	6%	0.064	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-51.5	175	174.3	178.2	86	0	0	112	W374 E375 R380 I381 Q382 T454 F457 F458	W374-M378 WeakPolarHBondContact O-CB 3.38Å; W374-M378 PolarHBondContact O-N 2.96Å; E375-M378 CarbonylContact O-C 3.57Å; E375-M378 WeakPolarHBondContact O-CA 3.4Å; E375-M378 WeakPolarHBondContact O-CB 3.29Å; E375-M378 PolarHBondContact O-N 2.8Å; M378-R380 VanDerWaalsContact C-N 3.3Å; M378-R380 PolarHBondContact O-N 3Å; M378-I381 PolarHBondContact O-N 3.49Å; M378-Q382 WeakPolarHBondContact O-CG 3.34Å; M378-Q382 PolarHBondContact O-N 3.08Å; M378-T454 HydrophobicContact SD-CG2 4.26Å; M378-F457 HydrophobicContact CB-CD1 3.91Å; M378-F457 HydrophobicContact CB-CE1 3.84Å; M378-F457 HydrophobicContact CB-CZ 4.39Å; M378-F457 HydrophobicContact CG-CB 4.42Å; M378-F457 HydrophobicContact CG-CD1 3.56Å; M378-F457 HydrophobicContact CG-CD2 3.9Å; M378-F457 HydrophobicContact CG-CE1 3.65Å; M378-F457 HydrophobicContact CG-CE2 3.98Å; M378-F457 HydrophobicContact CG-CG 3.69Å; M378-F457 HydrophobicContact CG-CZ 3.86Å; M378-F457 HydrophobicContact SD-CB 3.8Å; M378-F457 HydrophobicContact SD-CD1 4.02Å; M378-F457 HydrophobicContact SD-CD2 4.16Å; M378-F457 HydrophobicContact SD-CG 3.73Å; M378-F458 HydrophobicContact CB-CE2 4.02Å; M378-F458 HydrophobicContact CB-CZ 4.25Å
379	E	81.8	Confident	82.2	Confident	43 Å²	43	43.9 Å²	43.9	20%	0.201	23%	0.231	C	C	.	.	H	α-helix	trans	-50.4	-50.8	174.4	-72.1	165.5	-177.3	0	0	110	R372 E375 I381 Q382 E383	R372-E379 IonicContact CZ-OE1 2.65Å; R372-E379 IonicContact CZ-OE2 3.86Å; R372-E379 IonicContact NH1-OE1 3.2Å; R372-E379 PolarHBondContact NH1-OE1 3.3Å; R372-E379 IonicContact NH1-OE2 3.56Å; R372-E379 IonicContact NH2-OE1 2.71Å; R372-E379 PolarHBondContact NH2-OE1 3.44Å; R372-E379 VanDerWaalsContact NH2-OE1 3.14Å; R372-E379 IonicContact NH2-OE2 3.92Å; R372-E379 PolarHBondContact NH2-OE2 3.24Å; E375-E379 WeakPolarHBondContact O-CB 3.39Å; E375-E379 VanDerWaalsContact O-CG 3.31Å; E375-E379 WeakPolarHBondContact O-CG 3.11Å; E375-E379 PolarHBondContact O-N 3.08Å; E379-I381 PolarHBondContact O-N 3.23Å; E379-Q382 WeakPolarHBondContact O-CB 3.39Å; E379-Q382 PolarHBondContact O-N 2.8Å; E379-Q382 VanDerWaalsContact O-N 3.16Å; E379-E383 WeakPolarHBondContact O-CG 3.48Å; E379-E383 PolarHBondContact O-N 3.3Å
380	R	82.9	Confident	81.9	Confident	137 Å²	137	50.8 Å²	50.8	52%	0.517	26%	0.261	S	S	.	.	H	α-helix	trans	-65.6	-35.9	-179	-172.6	53.9	175.2	170.2	1.3	113.9	K376 I377 M378 E383 V384	K376-R380 VanDerWaalsContact O-CB 3.32Å; K376-R380 WeakPolarHBondContact O-CB 3.1Å; K376-R380 PolarHBondContact O-N 3.37Å; I377-R380 PolarHBondContact O-N 2.53Å; M378-R380 VanDerWaalsContact C-N 3.3Å; M378-R380 PolarHBondContact O-N 3Å; R380-E383 WeakPolarHBondContact CD-OE2 3.46Å; R380-E383 IonicContact CZ-OE2 3.66Å; R380-E383 IonicContact NE-OE2 3.83Å; R380-E383 IonicContact NH1-OE2 2.71Å; R380-E383 PolarHBondContact NH1-OE2 2.71Å; R380-V384 WeakPolarHBondContact O-CG2 3.21Å; R380-V384 PolarHBondContact O-N 2.7Å; R380-V384 VanDerWaalsContact O-N 3.14Å
381	I	85.9	Confident	82	Confident	15 Å²	15	55 Å²	55	8%	0.077	28%	0.281	C	S	.	.	H	α-helix	trans	-68.2	-39.7	174.5	-66.4	159.3	0	0	0	110.2	I377 M378 E379 V384 A385 L435 F457 L461	I377-I381 HydrophobicContact CG2-CD1 3.74Å; I377-I381 WeakPolarHBondContact O-CD1 3.29Å; I377-I381 WeakPolarHBondContact O-CG1 3.2Å; I377-I381 PolarHBondContact O-N 3.2Å; M378-I381 PolarHBondContact O-N 3.49Å; E379-I381 PolarHBondContact O-N 3.23Å; I381-V384 PolarHBondContact O-N 3.11Å; I381-A385 VanDerWaalsContact O-CB 3.22Å; I381-A385 WeakPolarHBondContact O-CB 3.06Å; I381-A385 PolarHBondContact O-N 3.5Å; I381-L435 HydrophobicContact CD1-CD1 3.68Å; I381-L435 HydrophobicContact CD1-CD2 4.11Å; I381-L435 HydrophobicContact CD1-CG 4.48Å; I381-L435 HydrophobicContact CG1-CD1 4.38Å; I381-L435 HydrophobicContact CG1-CD2 4.11Å; I381-F457 HydrophobicContact CB-CE1 4.49Å; I381-F457 HydrophobicContact CB-CZ 4.04Å; I381-F457 HydrophobicContact CD1-CE1 4.08Å; I381-F457 HydrophobicContact CD1-CZ 4.43Å; I381-F457 HydrophobicContact CG2-CZ 3.84Å; I381-L461 HydrophobicContact CD1-CD1 3.83Å
382	Q	84.1	Confident	82.1	Confident	56 Å²	56	63 Å²	63	26%	0.262	31%	0.31	S	S	.	.	H	α-helix	trans	-63.5	-45.1	176.6	-70.3	172.7	-10.6	0	0	111.5	M378 E379 A385 A386 F457 Q626	M378-Q382 WeakPolarHBondContact O-CG 3.34Å; M378-Q382 PolarHBondContact O-N 3.08Å; E379-Q382 WeakPolarHBondContact O-CB 3.39Å; E379-Q382 PolarHBondContact O-N 2.8Å; E379-Q382 VanDerWaalsContact O-N 3.16Å; Q382-A385 PolarHBondContact O-N 3.08Å; Q382-A386 WeakPolarHBondContact O-CB 3.37Å; Q382-A386 PolarHBondContact O-N 2.93Å; Q382-F457 HydrophobicContact CG-CE2 3.98Å; Q382-F457 HydrophobicContact CG-CZ 4.35Å; Q382-Q626 VanDerWaalsContact OE1-NE2 3.17Å
383	E	81.4	Confident	82.6	Confident	68 Å²	68	65.1 Å²	65.1	32%	0.318	32%	0.318	S	S	.	.	H	α-helix	trans	-55.3	-54.1	173.3	-71.7	169.9	-175.8	0	0	111.9	E379 R380 A385 A386 Q387	E379-E383 WeakPolarHBondContact O-CG 3.48Å; E379-E383 PolarHBondContact O-N 3.3Å; R380-E383 WeakPolarHBondContact CD-OE2 3.46Å; R380-E383 IonicContact CZ-OE2 3.66Å; R380-E383 IonicContact NE-OE2 3.83Å; R380-E383 IonicContact NH1-OE2 2.71Å; R380-E383 PolarHBondContact NH1-OE2 2.71Å; E383-A385 PolarHBondContact O-N 3.33Å; E383-A386 PolarHBondContact O-N 3.25Å; E383-A386 VanDerWaalsContact O-N 3.08Å; E383-Q387 WeakPolarHBondContact O-CG 3.41Å; E383-Q387 PolarHBondContact O-N 3.25Å
384	V	81.3	Confident	82.9	Confident	72 Å²	72	70.4 Å²	70.4	44%	0.436	34%	0.34	S	S	.	.	H	α-helix	trans	-63.5	-31.4	-179.3	172.7	0	0	0	0	111.5	R380 I381 S388	R380-V384 WeakPolarHBondContact O-CG2 3.21Å; R380-V384 PolarHBondContact O-N 2.7Å; R380-V384 VanDerWaalsContact O-N 3.14Å; I381-V384 PolarHBondContact O-N 3.11Å; V384-S388 WeakPolarHBondContact O-CB 3.21Å; V384-S388 PolarHBondContact O-N 2.8Å; V384-S388 PolarHBondContact O-OG 3.35Å
385	A	81.4	Confident	83	Confident	15 Å²	15	74.6 Å²	74.6	12%	0.124	36%	0.361	C	S	.	.	H	α-helix	trans	-75.3	-31.4	174.1	0	0	0	0	0	113.5	I381 Q382 E383 L396	I381-A385 VanDerWaalsContact O-CB 3.22Å; I381-A385 WeakPolarHBondContact O-CB 3.06Å; I381-A385 PolarHBondContact O-N 3.5Å; Q382-A385 PolarHBondContact O-N 3.08Å; E383-A385 PolarHBondContact O-N 3.33Å; A385-L396 HydrophobicContact CB-CD2 3.66Å
386	A	78.7	Confident	83.3	Confident	39 Å²	39	74.1 Å²	74.1	32%	0.322	36%	0.359	S	S	.	.	H	α-helix	trans	-71.9	-42.7	175	0	0	0	0	0	111.5	Q382 E383 S388	Q382-A386 WeakPolarHBondContact O-CB 3.37Å; Q382-A386 PolarHBondContact O-N 2.93Å; E383-A386 PolarHBondContact O-N 3.25Å; E383-A386 VanDerWaalsContact O-N 3.08Å; A386-S388 PolarHBondContact O-N 3.37Å
387	Q	79.4	Confident	83.7	Confident	130 Å²	130	75.6 Å²	75.6	61%	0.607	37%	0.37	S	S	*	.	S	Bend	trans	-71.7	-13.2	174.7	-65	173	7	0	0	113	E383	E383-Q387 WeakPolarHBondContact O-CG 3.41Å; E383-Q387 PolarHBondContact O-N 3.25Å
388	S	80.4	Confident	83.9	Confident	31 Å²	31	80.1 Å²	80.1	22%	0.217	39%	0.386	C	S	.	.	S	Bend	trans	-80.9	137.4	175.7	-75.3	0	0	0	0	112.4	V384 A386	V384-S388 WeakPolarHBondContact O-CB 3.21Å; V384-S388 PolarHBondContact O-N 2.8Å; V384-S388 PolarHBondContact O-OG 3.35Å; A386-S388 PolarHBondContact O-N 3.37Å
389	G	83.7	Confident	84	Confident	52 Å²	52	79.5 Å²	79.5	54%	0.536	38%	0.383	S	S	.	.			trans	-52.7	143.3	178.1	0	0	0	0	0	113.7	I391 R392 R393	G389-I391 PolarHBondContact O-N 3.22Å; G389-R392 WeakPolarHBondContact O-CB 3.3Å; G389-R392 PolarHBondContact O-N 2.99Å; G389-R393 PolarHBondContact O-N 2.8Å
390	F	83.7	Confident	84.5	Confident	145 Å²	145	78.5 Å²	78.5	64%	0.636	38%	0.379	S	S	*	.	H	α-helix	trans	-38.7	-42.3	-169.1	-176.9	-105.1	0	0	0	116.3	R393 K394	F390-R393 PolarHBondContact O-N 3.28Å; F390-K394 HydrophobicContact CD1-CD 4.38Å; F390-K394 HydrophobicContact CE1-CD 3.79Å; F390-K394 HydrophobicContact CE2-CD 4.47Å; F390-K394 HydrophobicContact CZ-CD 3.87Å; F390-K394 PolarHBondContact O-N 2.9Å
391	I	84	Confident	84.7	Confident	125 Å²	125	75 Å²	75	64%	0.641	38%	0.376	S	S	*	.	H	α-helix	trans	-62.8	-44.9	179.1	-57.8	174.7	0	0	0	111.3	G389 K394 M395	G389-I391 PolarHBondContact O-N 3.22Å; I391-K394 PolarHBondContact O-N 3.28Å; I391-M395 HydrophobicContact CG2-CE 4.21Å; I391-M395 HydrophobicContact CG2-SD 4.45Å; I391-M395 WeakPolarHBondContact O-CG 3.21Å; I391-M395 PolarHBondContact O-N 2.99Å
392	R	82.3	Confident	84.8	Confident	176 Å²	176	75.7 Å²	75.7	66%	0.664	38%	0.38	S	S	*	.	H	α-helix	trans	-64.7	-44.5	178.3	-69.3	-176	179.9	179.3	0.6	111.4	G389 K394 M395 L396	G389-R392 WeakPolarHBondContact O-CB 3.3Å; G389-R392 PolarHBondContact O-N 2.99Å; R392-K394 PolarHBondContact O-N 2.81Å; R392-M395 HydrophobicContact CG-CE 4.41Å; R392-M395 PolarHBondContact O-N 3.27Å; R392-L396 PolarHBondContact O-N 3.1Å
393	R	86.1	Confident	84.9	Confident	121 Å²	121	73.1 Å²	73.1	46%	0.457	37%	0.368	S	S	.	.	H	α-helix	trans	-58.8	-46.2	176.1	-174.9	175	173.8	174.2	0.9	111.5	G389 F390 L396 L397	G389-R393 PolarHBondContact O-N 2.8Å; F390-R393 PolarHBondContact O-N 3.28Å; R393-L396 PolarHBondContact O-N 2.83Å; R393-L397 HydrophobicContact CG-CD1 4.26Å; R393-L397 WeakPolarHBondContact O-CG 3.37Å; R393-L397 PolarHBondContact O-N 3.04Å
394	K	87	Confident	85.3	Confident	126 Å²	126	71.9 Å²	71.9	55%	0.548	36%	0.364	S	S	.	.	H	α-helix	trans	-63.6	-42	175.4	-83.4	-166.3	167	-174.2	0	113.3	F390 I391 R392 L396 L397 W398	F390-K394 HydrophobicContact CD1-CD 4.38Å; F390-K394 HydrophobicContact CE1-CD 3.79Å; F390-K394 HydrophobicContact CE2-CD 4.47Å; F390-K394 HydrophobicContact CZ-CD 3.87Å; F390-K394 PolarHBondContact O-N 2.9Å; I391-K394 PolarHBondContact O-N 3.28Å; R392-K394 PolarHBondContact O-N 2.81Å; K394-L396 VanDerWaalsContact C-N 3.34Å; K394-L396 PolarHBondContact O-N 3.47Å; K394-L397 PolarHBondContact O-N 3.2Å; K394-W398 WeakPolarHBondContact O-CB 3.38Å; K394-W398 PolarHBondContact O-N 2.96Å
395	M	85.9	Confident	85.5	Confident	87 Å²	87	74.9 Å²	74.9	43%	0.429	37%	0.373	S	S	.	.	H	α-helix	trans	-63.4	-38.4	176.5	-73.1	-170.4	-55.6	0	0	112.4	I391 R392 A399 V427	I391-M395 HydrophobicContact CG2-CE 4.21Å; I391-M395 HydrophobicContact CG2-SD 4.45Å; I391-M395 WeakPolarHBondContact O-CG 3.21Å; I391-M395 PolarHBondContact O-N 2.99Å; R392-M395 HydrophobicContact CG-CE 4.41Å; R392-M395 PolarHBondContact O-N 3.27Å; M395-A399 VanDerWaalsContact O-CB 3.26Å; M395-A399 WeakPolarHBondContact O-CB 3.42Å; M395-A399 PolarHBondContact O-N 2.8Å; M395-V427 HydrophobicContact CB-CG2 4.24Å
396	L	87.7	Confident	85.6	Confident	21 Å²	21	75.3 Å²	75.3	11%	0.11	37%	0.372	C	S	.	.	H	α-helix	trans	-64.6	-51	175.3	-179.6	62.4	0	0	0	111.7	A385 R392 R393 K394 W398 A399 M400 V427 L428 V431 L461	A385-L396 HydrophobicContact CB-CD2 3.66Å; R392-L396 PolarHBondContact O-N 3.1Å; R393-L396 PolarHBondContact O-N 2.83Å; K394-L396 VanDerWaalsContact C-N 3.34Å; K394-L396 PolarHBondContact O-N 3.47Å; L396-W398 VanDerWaalsContact C-N 3.31Å; L396-W398 PolarHBondContact O-N 2.58Å; L396-A399 PolarHBondContact O-N 2.92Å; L396-M400 HydrophobicContact CD1-CG 4.09Å; L396-M400 HydrophobicContact CD1-SD 3.94Å; L396-M400 HydrophobicContact CG-CG 4.44Å; L396-M400 HydrophobicContact CG-SD 3.94Å; L396-M400 WeakPolarHBondContact O-CB 3.46Å; L396-M400 VanDerWaalsContact O-CG 3.31Å; L396-M400 WeakPolarHBondContact O-CG 3.26Å; L396-M400 PolarHBondContact O-N 2.88Å; L396-V427 HydrophobicContact CB-CG1 4.42Å; L396-V427 HydrophobicContact CD1-CG1 3.95Å; L396-L428 HydrophobicContact CD1-CD2 4.24Å; L396-V431 HydrophobicContact CD1-CG2 4.09Å; L396-L461 HydrophobicContact CD1-CD2 4.26Å
397	L	87.9	Confident	85.9	Confident	104 Å²	104	74.1 Å²	74.1	55%	0.545	36%	0.361	S	S	.	.	H	α-helix	trans	-60.4	-40.9	179.6	-68.4	172.4	0	0	0	112.1	R393 K394 S401	R393-L397 HydrophobicContact CG-CD1 4.26Å; R393-L397 WeakPolarHBondContact O-CG 3.37Å; R393-L397 PolarHBondContact O-N 3.04Å; K394-L397 PolarHBondContact O-N 3.2Å; L397-S401 PolarHBondContact O-N 3.13Å; L397-S401 PolarHBondContact O-OG 3.11Å
398	W	90.1	Very high	86.2	Confident	106 Å²	106	72.1 Å²	72.1	40%	0.402	35%	0.354	S	S	.	.	H	α-helix	trans	-63	-47.7	173.4	167.3	75.6	0	0	0	112.5	K394 L396 M400 S401 V402 A423	K394-W398 WeakPolarHBondContact O-CB 3.38Å; K394-W398 PolarHBondContact O-N 2.96Å; L396-W398 VanDerWaalsContact C-N 3.31Å; L396-W398 PolarHBondContact O-N 2.58Å; W398-M400 VanDerWaalsContact C-N 3.28Å; W398-M400 PolarHBondContact O-N 2.75Å; W398-S401 PolarHBondContact O-N 3.34Å; W398-S401 PolarHBondContact O-OG 2.78Å; W398-V402 HydrophobicContact CZ2-CG2 4.4Å; W398-V402 WeakPolarHBondContact O-CG2 3.38Å; W398-V402 PolarHBondContact O-N 3.4Å; W398-V402 VanDerWaalsContact O-N 3.1Å; W398-A423 HydrophobicContact CH2-CB 3.83Å; W398-A423 HydrophobicContact CZ3-CB 3.78Å
399	A	89.3	Confident	86	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-62.5	-39	179.7	0	0	0	0	0	111.6	M395 L396 T403 A423 V427 L428	M395-A399 VanDerWaalsContact O-CB 3.26Å; M395-A399 WeakPolarHBondContact O-CB 3.42Å; M395-A399 PolarHBondContact O-N 2.8Å; L396-A399 PolarHBondContact O-N 2.92Å; A399-T403 WeakPolarHBondContact O-CB 3.01Å; A399-T403 PolarHBondContact O-N 2.99Å; A399-T403 PolarHBondContact O-OG1 3.03Å; A399-T403 VanDerWaalsContact O-OG1 3.1Å; A399-A423 HydrophobicContact CB-CB 3.87Å; A399-V427 HydrophobicContact CB-CB 4Å; A399-V427 HydrophobicContact CB-CG1 4.31Å; A399-V427 HydrophobicContact CB-CG2 4.24Å; A399-L428 HydrophobicContact CB-CD2 3.8Å; A399-L428 HydrophobicContact CB-CG 4.07Å
400	M	90.5	Very high	84.9	Confident	22 Å²	22	75.5 Å²	75.5	11%	0.108	37%	0.365	C	S	.	.	H	α-helix	trans	-67.9	-40.6	175.7	-70.3	-178.6	68.6	0	0	112.8	L396 W398 T403 L404 L428 F457 G460 L461	L396-M400 HydrophobicContact CD1-CG 4.09Å; L396-M400 HydrophobicContact CD1-SD 3.94Å; L396-M400 HydrophobicContact CG-CG 4.44Å; L396-M400 HydrophobicContact CG-SD 3.94Å; L396-M400 WeakPolarHBondContact O-CB 3.46Å; L396-M400 VanDerWaalsContact O-CG 3.31Å; L396-M400 WeakPolarHBondContact O-CG 3.26Å; L396-M400 PolarHBondContact O-N 2.88Å; W398-M400 VanDerWaalsContact C-N 3.28Å; W398-M400 PolarHBondContact O-N 2.75Å; M400-T403 PolarHBondContact O-N 2.88Å; M400-L404 WeakPolarHBondContact O-CB 3.3Å; M400-L404 PolarHBondContact O-N 3.4Å; M400-L428 HydrophobicContact CG-CD2 4.1Å; M400-F457 HydrophobicContact CE-CD2 3.62Å; M400-F457 HydrophobicContact CE-CE2 3.69Å; M400-F457 HydrophobicContact CE-CG 4.05Å; M400-F457 HydrophobicContact CE-CZ 4.18Å; M400-F457 WeakPolarHBondContact CE-O 3.33Å; M400-F457 HydrophobicContact SD-CE2 4.44Å; M400-G460 WeakPolarHBondContact CA-O 3.47Å; M400-L461 HydrophobicContact CE-CD2 4.02Å; M400-L461 HydrophobicContact CE-CG 3.93Å; M400-L461 HydrophobicContact CG-CD2 3.9Å; M400-L461 HydrophobicContact SD-CD2 3.7Å; M400-L461 HydrophobicContact SD-CG 4.3Å
401	S	89	Confident	83.7	Confident	65 Å²	65	72.8 Å²	72.8	46%	0.455	36%	0.361	S	S	.	.	H	α-helix	trans	-64.9	-45.4	179.1	63.7	0	0	0	0	111.9	L397 W398 T403 L404 E405	L397-S401 PolarHBondContact O-N 3.13Å; L397-S401 PolarHBondContact O-OG 3.11Å; W398-S401 PolarHBondContact O-N 3.34Å; W398-S401 PolarHBondContact O-OG 2.78Å; S401-T403 VanDerWaalsContact C-N 3.35Å; S401-T403 PolarHBondContact O-N 3.4Å; S401-L404 PolarHBondContact O-N 3.01Å; S401-E405 WeakPolarHBondContact O-CB 3.5Å; S401-E405 PolarHBondContact O-N 3.31Å
402	V	87.1	Confident	82.3	Confident	28 Å²	28	69.8 Å²	69.8	17%	0.17	35%	0.352	C	S	.	.	H	α-helix	trans	-60.4	-44.2	178	171.9	0	0	0	0	111.3	W398 Q406	W398-V402 HydrophobicContact CZ2-CG2 4.4Å; W398-V402 WeakPolarHBondContact O-CG2 3.38Å; W398-V402 PolarHBondContact O-N 3.4Å; W398-V402 VanDerWaalsContact O-N 3.1Å; V402-Q406 PolarHBondContact O-N 3.44Å; V402-Q406 VanDerWaalsContact O-N 3.12Å
403	T	86.8	Confident	80.9	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.012	35%	0.352	C	S	.	.	H	α-helix	trans	-77.1	-31.1	-177.2	-62	0	0	0	0	113	A399 M400 S401 N407 L428 G460 N462	A399-T403 WeakPolarHBondContact O-CB 3.01Å; A399-T403 PolarHBondContact O-N 2.99Å; A399-T403 PolarHBondContact O-OG1 3.03Å; A399-T403 VanDerWaalsContact O-OG1 3.1Å; M400-T403 PolarHBondContact O-N 2.88Å; S401-T403 VanDerWaalsContact C-N 3.35Å; S401-T403 PolarHBondContact O-N 3.4Å; T403-N407 WeakPolarHBondContact CG2-ND2 3.24Å; T403-N407 WeakPolarHBondContact O-CB 3.34Å; T403-N407 PolarHBondContact O-N 3.25Å; T403-N407 PolarHBondContact O-ND2 2.95Å; T403-L428 HydrophobicContact CG2-CD1 4.03Å; T403-L428 WeakPolarHBondContact OG1-CD1 3.43Å; T403-G460 WeakPolarHBondContact CB-O 3.49Å; T403-N462 HydrophobicContact CG2-CB 3.7Å
404	L	88.2	Confident	79.2	Confident	42 Å²	42	67.3 Å²	67.3	22%	0.22	36%	0.361	C	S	.	.	H	α-helix	trans	-66.5	-49	172.3	177.8	58.1	0	0	0	110.8	M400 S401 Q406 N407 L408 R456 L459	M400-L404 WeakPolarHBondContact O-CB 3.3Å; M400-L404 PolarHBondContact O-N 3.4Å; S401-L404 PolarHBondContact O-N 3.01Å; L404-Q406 VanDerWaalsContact C-N 3.34Å; L404-Q406 PolarHBondContact O-N 3.41Å; L404-N407 PolarHBondContact O-N 3.45Å; L404-L408 HydrophobicContact CD1-CD1 3.81Å; L404-L408 HydrophobicContact CD1-CG 4.04Å; L404-L408 HydrophobicContact CG-CD1 3.94Å; L404-L408 VanDerWaalsContact O-CG 3.29Å; L404-L408 WeakPolarHBondContact O-CG 3.49Å; L404-L408 PolarHBondContact O-N 3.06Å; L404-R456 HydrophobicContact CD1-CB 4.26Å; L404-R456 HydrophobicContact CD1-CG 4.47Å; L404-R456 HydrophobicContact CD2-CB 4.31Å; L404-L459 HydrophobicContact CD1-CB 4.05Å; L404-L459 HydrophobicContact CD1-CD2 3.93Å; L404-L459 HydrophobicContact CD1-CG 4.12Å
405	E	86.7	Confident	77.8	Confident	135 Å²	135	69.2 Å²	69.2	63%	0.631	38%	0.376	S	S	*	.	H	α-helix	trans	-58.1	-45.6	177.8	-175.1	177.4	-172.3	0	0	111.3	S401 L408 T409	S401-E405 WeakPolarHBondContact O-CB 3.5Å; S401-E405 PolarHBondContact O-N 3.31Å; E405-L408 PolarHBondContact O-N 3.39Å; E405-T409 WeakPolarHBondContact O-CB 3.43Å; E405-T409 WeakPolarHBondContact O-CG2 3.44Å; E405-T409 PolarHBondContact O-N 3.37Å; E405-T409 PolarHBondContact O-OG1 2.9Å
406	Q	84.1	Confident	76.6	Confident	24 Å²	24	69.2 Å²	69.2	11%	0.112	37%	0.374	C	S	.	.	H	α-helix	trans	-59.3	-51	174.8	-172.1	-165.7	-19.6	0	0	112.1	V402 L404 L408 T409 C410 S420	V402-Q406 PolarHBondContact O-N 3.44Å; V402-Q406 VanDerWaalsContact O-N 3.12Å; L404-Q406 VanDerWaalsContact C-N 3.34Å; L404-Q406 PolarHBondContact O-N 3.41Å; Q406-L408 PolarHBondContact O-N 3.26Å; Q406-T409 PolarHBondContact O-N 2.92Å; Q406-T409 VanDerWaalsContact O-N 3.16Å; Q406-T409 PolarHBondContact O-OG1 3.27Å; Q406-C410 PolarHBondContact O-N 3.42Å; Q406-S420 PolarHBondContact OE1-OG 2.93Å
407	N	84.8	Confident	75.9	Confident	14 Å²	14	71.1 Å²	71.1	8%	0.075	39%	0.387	C	S	.	.	H	α-helix	trans	-66.3	-21.1	-176.6	-87.4	-72.6	0	0	0	113.5	T403 L404 L459 N462 R464	T403-N407 WeakPolarHBondContact CG2-ND2 3.24Å; T403-N407 WeakPolarHBondContact O-CB 3.34Å; T403-N407 PolarHBondContact O-N 3.25Å; T403-N407 PolarHBondContact O-ND2 2.95Å; L404-N407 PolarHBondContact O-N 3.45Å; N407-L459 HydrophobicContact CB-CD1 3.64Å; N407-L459 HydrophobicContact CB-CD2 4.01Å; N407-L459 HydrophobicContact CB-CG 3.61Å; N407-N462 PolarHBondContact ND2-OD1 3.34Å; N407-R464 PolarHBondContact OD1-NE 2.86Å; N407-R464 VanDerWaalsContact OD1-NE 3.09Å; N407-R464 PolarHBondContact OD1-NH2 3.48Å
408	L	85.1	Confident	75.3	Confident	88 Å²	88	73.8 Å²	73.8	46%	0.461	40%	0.395	S	S	.	.	H	α-helix	trans	-85.1	-30	173.6	-68.2	173.2	0	0	0	113.1	L404 E405 Q406 L459 L488	L404-L408 HydrophobicContact CD1-CD1 3.81Å; L404-L408 HydrophobicContact CD1-CG 4.04Å; L404-L408 HydrophobicContact CG-CD1 3.94Å; L404-L408 VanDerWaalsContact O-CG 3.29Å; L404-L408 WeakPolarHBondContact O-CG 3.49Å; L404-L408 PolarHBondContact O-N 3.06Å; E405-L408 PolarHBondContact O-N 3.39Å; Q406-L408 PolarHBondContact O-N 3.26Å; L408-L459 HydrophobicContact CD2-CD2 4Å; L408-L459 HydrophobicContact CG-CD2 4.35Å; L408-L488 HydrophobicContact CD2-CD2 3.71Å
409	T	76	Confident	74.6	Confident	95 Å²	95	72.3 Å²	72.3	58%	0.583	40%	0.397	S	S	*	.	H	α-helix	trans	-97.1	-36	-174	51.2	0	0	0	0	113.8	E405 Q406	E405-T409 WeakPolarHBondContact O-CB 3.43Å; E405-T409 WeakPolarHBondContact O-CG2 3.44Å; E405-T409 PolarHBondContact O-N 3.37Å; E405-T409 PolarHBondContact O-OG1 2.9Å; Q406-T409 PolarHBondContact O-N 2.92Å; Q406-T409 VanDerWaalsContact O-N 3.16Å; Q406-T409 PolarHBondContact O-OG1 3.27Å
410	C	61.8	Low	74	Confident	60 Å²	60	72.5 Å²	72.5	41%	0.405	40%	0.399	S	S	.	.			trans	-125	91.1	175.9	-69.6	0	0	0	0	110.2	Q406 S412	Q406-C410 PolarHBondContact O-N 3.42Å; C410-S412 VanDerWaalsContact C-N 3.33Å; C410-S412 PolarHBondContact O-N 3.05Å
411	P	57.7	Low	73.5	Confident	87 Å²	87	79.5 Å²	79.5	57%	0.565	42%	0.424	S	S	*	.			trans	-67.4	-30.5	177.1	-22.4	34.8	0	0	0	113.8	R464	P411-R464 PolarHBondContact O-NH1 2.68Å; P411-R464 PolarHBondContact O-NH2 2.65Å; P411-R464 VanDerWaalsContact O-NH2 3.12Å
412	S	55	Low	73.2	Confident	62 Å²	62	79.7 Å²	79.7	43%	0.434	42%	0.42	S	S	.	.	S	Bend	trans	-76.3	156.4	177.6	57	0	0	0	0	112.6	C410 D414	C410-S412 VanDerWaalsContact C-N 3.33Å; C410-S412 PolarHBondContact O-N 3.05Å; S412-D414 WeakPolarHBondContact CB-OD2 3.38Å; S412-D414 PolarHBondContact O-N 2.79Å; S412-D414 PolarHBondContact OG-OD2 3.11Å
413	D	52.2	Low	73.1	Confident	125 Å²	125	78.3 Å²	78.3	67%	0.668	41%	0.411	S	S	*	.			trans	-76.4	16.4	-177.1	-115.6	-21.8	0	0	0	113.9	L415 K416	D413-L415 PolarHBondContact O-N 3.49Å; D413-K416 WeakPolarHBondContact OD1-CE 3.48Å; D413-K416 IonicContact OD1-NZ 2.75Å; D413-K416 PolarHBondContact OD1-NZ 3.45Å
414	D	50.8	Low	73	Confident	120 Å²	120	79.9 Å²	79.9	64%	0.642	42%	0.42	S	S	*	.	S	Bend	trans	-62.7	116.3	179.6	-69.3	-62.2	0	0	0	111.2	S412 K416	S412-D414 WeakPolarHBondContact CB-OD2 3.38Å; S412-D414 PolarHBondContact O-N 2.79Å; S412-D414 PolarHBondContact OG-OD2 3.11Å; D414-K416 PolarHBondContact O-N 3.2Å
415	L	56.3	Low	72.8	Confident	166 Å²	166	86.1 Å²	86.1	87%	0.869	44%	0.441	S	S	*	.			trans	23	76.5	173.2	-77	167.4	0	0	0	115.7	D413	D413-L415 PolarHBondContact O-N 3.49Å
416	K	61	Low	72.7	Confident	87 Å²	87	83.4 Å²	83.4	38%	0.378	43%	0.431	S	S	.	.			trans	-44.1	121.6	173.1	-57.1	-169.2	175.4	164.1	0	111	D413 D414 R421	D413-K416 WeakPolarHBondContact OD1-CE 3.48Å; D413-K416 IonicContact OD1-NZ 2.75Å; D413-K416 PolarHBondContact OD1-NZ 3.45Å; D414-K416 PolarHBondContact O-N 3.2Å; K416-R421 HydrophobicContact CB-CG 3.87Å
417	P	72.8	Confident	72.9	Confident	61 Å²	61	83.2 Å²	83.2	40%	0.396	43%	0.431	S	S	.	.			trans	-50.1	143.2	179.1	-30.3	36	0	0	0	112.2	T419 S420 R421	P417-T419 PolarHBondContact O-N 3Å; P417-T419 VanDerWaalsContact O-N 3.1Å; P417-S420 PolarHBondContact O-N 3.09Å; P417-S420 PolarHBondContact O-OG 2.77Å; P417-R421 PolarHBondContact O-N 3.2Å; P417-R421 VanDerWaalsContact O-N 3.15Å
418	F	75.9	Confident	73	Confident	161 Å²	161	82.6 Å²	82.6	71%	0.706	43%	0.428	S	S	*	.	H	α-helix	trans	-54	-35.7	179.9	177.4	-96.9	0	0	0	112.3	R421 L422	F418-R421 PolarHBondContact O-N 2.56Å; F418-L422 HydrophobicContact CE1-CD2 4.23Å; F418-L422 WeakPolarHBondContact O-CB 3.44Å; F418-L422 PolarHBondContact O-N 3.06Å
419	T	75.6	Confident	73.2	Confident	74 Å²	74	80 Å²	80	45%	0.454	42%	0.419	S	S	.	.	H	α-helix	trans	-60.7	-42.4	176.2	46.3	0	0	0	0	113.4	P417 L422 A423	P417-T419 PolarHBondContact O-N 3Å; P417-T419 VanDerWaalsContact O-N 3.1Å; T419-L422 PolarHBondContact O-N 3.09Å; T419-A423 WeakPolarHBondContact O-CB 3.29Å; T419-A423 PolarHBondContact O-N 3Å
420	S	76.4	Confident	73.8	Confident	5 Å²	5	81.3 Å²	81.3	4%	0.035	42%	0.417	C	S	.	.	H	α-helix	trans	-76.2	-36.5	179.4	67.9	0	0	0	0	112	Q406 P417 L422 A423 D424	Q406-S420 PolarHBondContact OE1-OG 2.93Å; P417-S420 PolarHBondContact O-N 3.09Å; P417-S420 PolarHBondContact O-OG 2.77Å; S420-L422 VanDerWaalsContact C-N 3.27Å; S420-L422 PolarHBondContact O-N 2.81Å; S420-A423 PolarHBondContact O-N 3.45Å; S420-D424 VanDerWaalsContact O-CB 3.28Å; S420-D424 WeakPolarHBondContact O-CB 3.39Å; S420-D424 PolarHBondContact O-N 2.79Å
421	R	80.4	Confident	75.1	Confident	169 Å²	169	79.9 Å²	79.9	64%	0.638	41%	0.406	S	S	*	.	H	α-helix	trans	-59.3	-39.8	170.9	-63.2	-176.8	70.7	166.9	2.4	111.6	K416 P417 F418 Y425	K416-R421 HydrophobicContact CB-CG 3.87Å; P417-R421 PolarHBondContact O-N 3.2Å; P417-R421 VanDerWaalsContact O-N 3.15Å; F418-R421 PolarHBondContact O-N 2.56Å; R421-Y425 WeakPolarHBondContact O-CB 3.31Å; R421-Y425 PolarHBondContact O-N 3.1Å; R421-Y425 VanDerWaalsContact O-N 3.09Å
422	L	82.6	Confident	76.8	Confident	68 Å²	68	77.4 Å²	77.4	36%	0.356	39%	0.385	S	S	.	.	H	α-helix	trans	-69.9	-45.2	176.3	-174.7	65.1	0	0	0	112.2	F418 T419 S420 D424 Y425 L426	F418-L422 HydrophobicContact CE1-CD2 4.23Å; F418-L422 WeakPolarHBondContact O-CB 3.44Å; F418-L422 PolarHBondContact O-N 3.06Å; T419-L422 PolarHBondContact O-N 3.09Å; S420-L422 VanDerWaalsContact C-N 3.27Å; S420-L422 PolarHBondContact O-N 2.81Å; L422-D424 VanDerWaalsContact C-N 3.33Å; L422-D424 PolarHBondContact O-N 2.87Å; L422-Y425 PolarHBondContact O-N 3.23Å; L422-L426 HydrophobicContact CD1-CD1 3.72Å; L422-L426 HydrophobicContact CD1-CG 3.94Å; L422-L426 HydrophobicContact CD2-CD1 4.5Å; L422-L426 HydrophobicContact CG-CD1 3.81Å; L422-L426 HydrophobicContact CG-CG 4.31Å; L422-L426 WeakPolarHBondContact O-CB 3.49Å; L422-L426 WeakPolarHBondContact O-CG 3.46Å; L422-L426 PolarHBondContact O-N 3.42Å
423	A	84.1	Confident	78.5	Confident	0 Å²	0	80 Å²	80	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-59.3	-43.2	175.7	0	0	0	0	0	112.2	W398 A399 T419 S420 V427 L428	W398-A423 HydrophobicContact CH2-CB 3.83Å; W398-A423 HydrophobicContact CZ3-CB 3.78Å; A399-A423 HydrophobicContact CB-CB 3.87Å; T419-A423 WeakPolarHBondContact O-CB 3.29Å; T419-A423 PolarHBondContact O-N 3Å; S420-A423 PolarHBondContact O-N 3.45Å; A423-V427 PolarHBondContact O-N 2.95Å; A423-V427 VanDerWaalsContact O-N 3.08Å; A423-L428 PolarHBondContact O-N 3.14Å
424	D	84.7	Confident	80.3	Confident	34 Å²	34	76.9 Å²	76.9	18%	0.182	38%	0.382	C	S	.	.	I	π-helix	trans	-64	-51	177.9	-164.9	76.9	0	0	0	111.3	S420 L422 L428 A429 R432 N462	S420-D424 VanDerWaalsContact O-CB 3.28Å; S420-D424 WeakPolarHBondContact O-CB 3.39Å; S420-D424 PolarHBondContact O-N 2.79Å; L422-D424 VanDerWaalsContact C-N 3.33Å; L422-D424 PolarHBondContact O-N 2.87Å; D424-L428 PolarHBondContact O-N 3.04Å; D424-L428 VanDerWaalsContact O-N 3.13Å; D424-A429 VanDerWaalsContact O-CB 3.27Å; D424-A429 WeakPolarHBondContact O-CB 3.32Å; D424-A429 PolarHBondContact O-N 2.91Å; D424-R432 IonicContact OD1-CZ 3.18Å; D424-R432 VanDerWaalsContact OD1-CZ 3.26Å; D424-R432 IonicContact OD1-NH1 2.75Å; D424-R432 PolarHBondContact OD1-NH1 3Å; D424-R432 IonicContact OD1-NH2 3.31Å; D424-R432 PolarHBondContact OD1-NH2 2.83Å; D424-R432 IonicContact OD2-CZ 3.18Å; D424-R432 IonicContact OD2-NH2 2.68Å; D424-R432 PolarHBondContact OD2-NH2 2.94Å; D424-N462 PolarHBondContact OD1-ND2 3.06Å
425	Y	85.1	Confident	82.1	Confident	173 Å²	173	72 Å²	72	68%	0.678	36%	0.356	S	S	*	.	I	π-helix	trans	-63.8	-43.4	179.7	179.4	-103.2	0	0	0	113.6	R421 L422	R421-Y425 WeakPolarHBondContact O-CB 3.31Å; R421-Y425 PolarHBondContact O-N 3.1Å; R421-Y425 VanDerWaalsContact O-N 3.09Å; L422-Y425 PolarHBondContact O-N 3.23Å
426	L	84.1	Confident	83.8	Confident	79 Å²	79	64.1 Å²	64.1	41%	0.414	32%	0.315	S	S	.	.	I	π-helix	trans	-74.2	-34.6	-176.4	-70.1	-179.7	0	0	0	113	L422 K430	L422-L426 HydrophobicContact CD1-CD1 3.72Å; L422-L426 HydrophobicContact CD1-CG 3.94Å; L422-L426 HydrophobicContact CD2-CD1 4.5Å; L422-L426 HydrophobicContact CG-CD1 3.81Å; L422-L426 HydrophobicContact CG-CG 4.31Å; L422-L426 WeakPolarHBondContact O-CB 3.49Å; L422-L426 WeakPolarHBondContact O-CG 3.46Å; L422-L426 PolarHBondContact O-N 3.42Å; L426-K430 WeakPolarHBondContact O-CE 3.33Å; L426-K430 PolarHBondContact O-NZ 3.45Å
427	V	87.9	Confident	85.4	Confident	20 Å²	20	60.1 Å²	60.1	12%	0.121	30%	0.297	C	S	.	.	I	π-helix	trans	-128	-64.8	-168.3	-170.4	0	0	0	0	112.5	M395 L396 A399 A423 A429 K430 V431	M395-V427 HydrophobicContact CB-CG2 4.24Å; L396-V427 HydrophobicContact CB-CG1 4.42Å; L396-V427 HydrophobicContact CD1-CG1 3.95Å; A399-V427 HydrophobicContact CB-CB 4Å; A399-V427 HydrophobicContact CB-CG1 4.31Å; A399-V427 HydrophobicContact CB-CG2 4.24Å; A423-V427 PolarHBondContact O-N 2.95Å; A423-V427 VanDerWaalsContact O-N 3.08Å; V427-A429 PolarHBondContact O-N 2.74Å; V427-K430 WeakPolarHBondContact O-CB 3.29Å; V427-K430 PolarHBondContact O-N 2.97Å; V427-K430 VanDerWaalsContact O-N 3.11Å; V427-V431 PolarHBondContact O-N 3.31Å
428	L	87.8	Confident	86.2	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	30%	0.299	C	S	.	.	I	π-helix	trans	-67.1	-36.4	-164.2	-50.6	179.3	0	0	0	113.1	L396 A399 M400 T403 A423 D424 K430 V431 R432 L461 N462	L396-L428 HydrophobicContact CD1-CD2 4.24Å; A399-L428 HydrophobicContact CB-CD2 3.8Å; A399-L428 HydrophobicContact CB-CG 4.07Å; M400-L428 HydrophobicContact CG-CD2 4.1Å; T403-L428 HydrophobicContact CG2-CD1 4.03Å; T403-L428 WeakPolarHBondContact OG1-CD1 3.43Å; A423-L428 PolarHBondContact O-N 3.14Å; D424-L428 PolarHBondContact O-N 3.04Å; D424-L428 VanDerWaalsContact O-N 3.13Å; L428-K430 VanDerWaalsContact C-N 3.26Å; L428-K430 PolarHBondContact O-N 3.05Å; L428-V431 WeakPolarHBondContact O-CB 3.27Å; L428-V431 PolarHBondContact O-N 3.16Å; L428-V431 VanDerWaalsContact O-N 3.12Å; L428-R432 PolarHBondContact O-N 2.85Å; L428-L461 HydrophobicContact CD2-CD2 4.13Å; L428-N462 HydrophobicContact CD1-CB 4.46Å
429	A	89	Confident	87.1	Confident	33 Å²	33	57.2 Å²	57.2	27%	0.273	29%	0.288	S	S	.	.	H	α-helix	trans	-59.5	-36.9	175.5	0	0	0	0	0	112.3	D424 V427 R432 Q433	D424-A429 VanDerWaalsContact O-CB 3.27Å; D424-A429 WeakPolarHBondContact O-CB 3.32Å; D424-A429 PolarHBondContact O-N 2.91Å; V427-A429 PolarHBondContact O-N 2.74Å; A429-R432 PolarHBondContact O-N 2.99Å; A429-Q433 WeakPolarHBondContact O-CB 3.2Å; A429-Q433 PolarHBondContact O-N 3.01Å
430	K	89.4	Confident	88	Confident	123 Å²	123	54.4 Å²	54.4	54%	0.535	27%	0.271	S	S	.	.	H	α-helix	trans	-71.7	-35.3	176	-61.4	172.4	-173.1	156.6	0	111.8	L426 V427 L428 Q433 A434	L426-K430 WeakPolarHBondContact O-CE 3.33Å; L426-K430 PolarHBondContact O-NZ 3.45Å; V427-K430 WeakPolarHBondContact O-CB 3.29Å; V427-K430 PolarHBondContact O-N 2.97Å; V427-K430 VanDerWaalsContact O-N 3.11Å; L428-K430 VanDerWaalsContact C-N 3.26Å; L428-K430 PolarHBondContact O-N 3.05Å; K430-Q433 PolarHBondContact O-N 3.23Å; K430-A434 WeakPolarHBondContact O-CB 3.41Å; K430-A434 PolarHBondContact O-N 2.9Å
431	V	89	Confident	88.7	Confident	29 Å²	29	59.7 Å²	59.7	18%	0.176	30%	0.295	C	S	.	.	H	α-helix	trans	-64.2	-48.8	172.6	178.6	0	0	0	0	109.9	L396 V427 L428 Q433 A434 L435 L461	L396-V431 HydrophobicContact CD1-CG2 4.09Å; V427-V431 PolarHBondContact O-N 3.31Å; L428-V431 WeakPolarHBondContact O-CB 3.27Å; L428-V431 PolarHBondContact O-N 3.16Å; L428-V431 VanDerWaalsContact O-N 3.12Å; V431-Q433 VanDerWaalsContact C-N 3.33Å; V431-Q433 PolarHBondContact O-N 2.98Å; V431-A434 PolarHBondContact O-N 3.43Å; V431-L435 HydrophobicContact CG1-CD1 4.09Å; V431-L435 WeakPolarHBondContact O-CG 3.48Å; V431-L435 PolarHBondContact O-N 3.2Å; V431-L435 VanDerWaalsContact O-N 3.12Å; V431-L461 HydrophobicContact CG1-CD2 4.15Å
432	R	92.2	Very high	89.3	Confident	35 Å²	35	51.9 Å²	51.9	13%	0.132	27%	0.266	C	S	.	.	H	α-helix	trans	-59	-42.5	175.6	-68.9	-167.9	-59.1	-87.1	1.1	112.2	D424 L428 A429 L435 G436 F437 A438 L461 I463	D424-R432 IonicContact OD1-CZ 3.18Å; D424-R432 VanDerWaalsContact OD1-CZ 3.26Å; D424-R432 IonicContact OD1-NH1 2.75Å; D424-R432 PolarHBondContact OD1-NH1 3Å; D424-R432 IonicContact OD1-NH2 3.31Å; D424-R432 PolarHBondContact OD1-NH2 2.83Å; D424-R432 IonicContact OD2-CZ 3.18Å; D424-R432 IonicContact OD2-NH2 2.68Å; D424-R432 PolarHBondContact OD2-NH2 2.94Å; L428-R432 PolarHBondContact O-N 2.85Å; A429-R432 PolarHBondContact O-N 2.99Å; R432-L435 PolarHBondContact O-N 3.29Å; R432-G436 PolarHBondContact O-N 3.48Å; R432-F437 HydrophobicContact CB-CB 4.47Å; R432-F437 CarbonylContact O-C 3.55Å; R432-F437 WeakPolarHBondContact O-CA 3.42Å; R432-F437 PolarHBondContact O-N 3.09Å; R432-A438 PolarHBondContact O-N 2.77Å; R432-L461 PolarHBondContact NH1-O 2.63Å; R432-L461 VanDerWaalsContact NH1-O 3.09Å; R432-I463 HydrophobicContact CG-CD1 4.11Å; R432-I463 HydrophobicContact CG-CG1 4.22Å
433	Q	91.6	Very high	89.9	Confident	117 Å²	117	48.9 Å²	48.9	55%	0.547	25%	0.25	S	C	.	.	H	α-helix	trans	-62.5	-42.5	174.6	-170	179	26.3	0	0	112.8	A429 K430 V431 L435 G436 A438	A429-Q433 WeakPolarHBondContact O-CB 3.2Å; A429-Q433 PolarHBondContact O-N 3.01Å; K430-Q433 PolarHBondContact O-N 3.23Å; V431-Q433 VanDerWaalsContact C-N 3.33Å; V431-Q433 PolarHBondContact O-N 2.98Å; Q433-L435 PolarHBondContact O-N 2.82Å; Q433-G436 PolarHBondContact O-N 2.84Å; Q433-G436 VanDerWaalsContact O-N 3.1Å; Q433-A438 HydrophobicContact CB-CB 4.26Å; Q433-A438 HydrophobicContact CG-CB 4.46Å
434	A	89.4	Confident	90.5	Very high	60 Å²	60	49.3 Å²	49.3	50%	0.496	25%	0.252	S	S	.	.	H	α-helix	trans	-64.6	-22.5	176.7	0	0	0	0	0	113.5	R360 K430 V431	R360-A434 VanDerWaalsContact CD-O 3.24Å; R360-A434 WeakPolarHBondContact CD-O 3.49Å; R360-A434 WeakPolarHBondContact CG-O 3.32Å; K430-A434 WeakPolarHBondContact O-CB 3.41Å; K430-A434 PolarHBondContact O-N 2.9Å; V431-A434 PolarHBondContact O-N 3.43Å
435	L	89.1	Confident	90.9	Very high	17 Å²	17	48.5 Å²	48.5	9%	0.089	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-9.6	175.1	-63.4	167.9	0	0	0	113.7	L359 I377 I381 V431 R432 Q433 F437	L359-L435 WeakPolarHBondContact CB-O 3.18Å; I377-L435 HydrophobicContact CG2-CD1 4.42Å; I377-L435 HydrophobicContact CG2-CD2 4.01Å; I381-L435 HydrophobicContact CD1-CD1 3.68Å; I381-L435 HydrophobicContact CD1-CD2 4.11Å; I381-L435 HydrophobicContact CD1-CG 4.48Å; I381-L435 HydrophobicContact CG1-CD1 4.38Å; I381-L435 HydrophobicContact CG1-CD2 4.11Å; V431-L435 HydrophobicContact CG1-CD1 4.09Å; V431-L435 WeakPolarHBondContact O-CG 3.48Å; V431-L435 PolarHBondContact O-N 3.2Å; V431-L435 VanDerWaalsContact O-N 3.12Å; R432-L435 PolarHBondContact O-N 3.29Å; Q433-L435 PolarHBondContact O-N 2.82Å; L435-F437 VanDerWaalsContact C-N 3.29Å; L435-F437 HydrophobicContact CB-CD2 3.82Å; L435-F437 HydrophobicContact CB-CE2 4.36Å; L435-F437 HydrophobicContact CB-CG 4.28Å; L435-F437 HydrophobicContact CD1-CD2 4.18Å
436	G	92	Very high	90.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	0.5	-169	0	0	0	0	0	114.7	L359 E363 R432 Q433 A438	L359-G436 WeakPolarHBondContact O-CA 3.19Å; E363-G436 WeakPolarHBondContact CA-O 3.36Å; R432-G436 PolarHBondContact O-N 3.48Å; Q433-G436 PolarHBondContact O-N 2.84Å; Q433-G436 VanDerWaalsContact O-N 3.1Å; G436-A438 VanDerWaalsContact C-N 3.31Å; G436-A438 PolarHBondContact O-N 2.81Å
437	F	93.9	Very high	90.4	Very high	3 Å²	3	38.5 Å²	38.5	1%	0.013	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	20.9	-179.7	-62	-34.6	0	0	0	114.1	L359 H367 W374 I377 R432 L435 K439 C440 I463	L359-F437 HydrophobicContact CD1-CE1 3.94Å; L359-F437 HydrophobicContact CD1-CZ 3.96Å; L359-F437 HydrophobicContact CD2-CE1 4.14Å; H367-F437 HydrophobicContact CB-CE1 3.9Å; H367-F437 AromaticContact CD2-CE1 3.8Å; H367-F437 AromaticContact CD2-CZ 3.64Å; H367-F437 AromaticContact CG-CE1 3.69Å; H367-F437 AromaticContact NE2-CZ 3.98Å; W374-F437 HydrophobicContact CH2-CE2 4.28Å; W374-F437 HydrophobicContact CH2-CZ 4.18Å; W374-F437 AromaticContact CZ3-CE2 3.87Å; W374-F437 HydrophobicContact CZ3-CE2 3.87Å; W374-F437 HydrophobicContact CZ3-CZ 4.15Å; I377-F437 HydrophobicContact CD1-CE2 4.25Å; I377-F437 HydrophobicContact CD1-CZ 4.24Å; R432-F437 HydrophobicContact CB-CB 4.47Å; R432-F437 CarbonylContact O-C 3.55Å; R432-F437 WeakPolarHBondContact O-CA 3.42Å; R432-F437 PolarHBondContact O-N 3.09Å; L435-F437 VanDerWaalsContact C-N 3.29Å; L435-F437 HydrophobicContact CB-CD2 3.82Å; L435-F437 HydrophobicContact CB-CE2 4.36Å; L435-F437 HydrophobicContact CB-CG 4.28Å; L435-F437 HydrophobicContact CD1-CD2 4.18Å; F437-K439 VanDerWaalsContact C-N 3.26Å; F437-K439 PolarHBondContact O-N 2.86Å; F437-C440 HydrophobicContact CB-CB 3.85Å; F437-C440 HydrophobicContact CD1-CB 3.76Å; F437-C440 HydrophobicContact CG-CB 4.15Å; F437-C440 PolarHBondContact O-N 2.82Å; F437-I463 HydrophobicContact CD2-CD1 4.39Å
438	A	90.9	Very high	89.8	Confident	51 Å²	51	39.3 Å²	39.3	42%	0.421	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-35.1	177.6	0	0	0	0	0	113	R432 Q433 G436	R432-A438 PolarHBondContact O-N 2.77Å; Q433-A438 HydrophobicContact CB-CB 4.26Å; Q433-A438 HydrophobicContact CG-CB 4.46Å; G436-A438 VanDerWaalsContact C-N 3.31Å; G436-A438 PolarHBondContact O-N 2.81Å
439	K	93.7	Very high	89.1	Confident	111 Å²	111	43.6 Å²	43.6	48%	0.483	25%	0.248	S	C	.	.	S	Bend	trans	-100.4	-6.4	177.1	-66	172.9	-178.3	149.9	0	113.5	E363 P364 T365 F437 Q441	E363-K439 HydrophobicContact CB-CD 3.94Å; E363-K439 VanDerWaalsContact OE2-CE 3.27Å; E363-K439 WeakPolarHBondContact OE2-CE 3.38Å; E363-K439 IonicContact OE2-NZ 2.68Å; E363-K439 PolarHBondContact OE2-NZ 3.25Å; P364-K439 CarbonylContact O-C 3.56Å; T365-K439 WeakPolarHBondContact CA-O 3.2Å; T365-K439 HydrophobicContact CG2-CB 4.48Å; F437-K439 VanDerWaalsContact C-N 3.26Å; F437-K439 PolarHBondContact O-N 2.86Å; K439-Q441 PolarHBondContact O-N 2.83Å; K439-Q441 VanDerWaalsContact O-N 3.16Å
440	C	94.3	Very high	88.7	Confident	14 Å²	14	43.1 Å²	43.1	10%	0.095	24%	0.24	C	C	.	.			trans	-78.5	103.5	-170.4	-165.9	0	0	0	0	111.7	P364 T365 F437 N443	P364-C440 WeakPolarHBondContact O-CA 3.31Å; P364-C440 VanDerWaalsContact O-CB 3.26Å; P364-C440 WeakPolarHBondContact O-CB 3.39Å; P364-C440 PolarHBondContact O-N 3.5Å; T365-C440 CarbonylContact O-C 3.44Å; T365-C440 WeakPolarHBondContact O-CA 3.38Å; F437-C440 HydrophobicContact CB-CB 3.85Å; F437-C440 HydrophobicContact CD1-CB 3.76Å; F437-C440 HydrophobicContact CG-CB 4.15Å; F437-C440 PolarHBondContact O-N 2.82Å; C440-N443 PolarHBondContact O-ND2 2.92Å; C440-N443 PolarHBondContact SG-OD1 2.96Å
441	Q	90.9	Very high	88.1	Confident	117 Å²	117	38 Å²	38	55%	0.547	22%	0.22	S	C	.	.			trans	-91.6	-30.1	179.8	-64.7	175.7	2.5	0	0	111.8	T365 K439	T365-Q441 PolarHBondContact O-N 2.88Å; K439-Q441 PolarHBondContact O-N 2.83Å; K439-Q441 VanDerWaalsContact O-N 3.16Å
442	K	93.8	Very high	87.6	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.017	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	100.1	-169.6	-62.2	170	-166.8	172.6	0	109.3	D306 I307 E315 T365 S366 H367 F444	D306-K442 WeakPolarHBondContact O-CE 3.41Å; D306-K442 PolarHBondContact O-NZ 3.02Å; I307-K442 HydrophobicContact CD1-CD 4.29Å; E315-K442 IonicContact OE1-NZ 2.73Å; E315-K442 PolarHBondContact OE1-NZ 3.1Å; E315-K442 IonicContact OE2-NZ 2.69Å; T365-K442 PolarHBondContact O-N 2.82Å; S366-K442 CarbonylContact C-O 3.58Å; S366-K442 VanDerWaalsContact CA-O 3.3Å; S366-K442 WeakPolarHBondContact CA-O 3.49Å; S366-K442 WeakPolarHBondContact OG-CB 3.49Å; S366-K442 PolarHBondContact OG-O 2.87Å; H367-K442 PolarHBondContact N-O 3.04Å; K442-F444 HydrophobicContact CB-CD2 4.5Å; K442-F444 HydrophobicContact CB-CE2 3.68Å; K442-F444 HydrophobicContact CB-CZ 4.01Å
443	N	95.9	Very high	87.1	Confident	5 Å²	5	41.9 Å²	41.9	3%	0.027	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	95.4	-172.4	-62.6	-89.8	0	0	0	108.8	H367 W374 C440 I463 L465 Y466	H367-N443 CarbonylContact O-C 3.53Å; H367-N443 WeakPolarHBondContact O-CA 3.42Å; W374-N443 HydrophobicContact CH2-CB 3.72Å; W374-N443 HydrophobicContact CZ2-CB 4.02Å; C440-N443 PolarHBondContact O-ND2 2.92Å; C440-N443 PolarHBondContact SG-OD1 2.96Å; N443-I463 HydrophobicContact CB-CG2 4.06Å; N443-L465 HydrophobicContact CB-CD2 3.84Å; N443-L465 CarbonylContact O-C 3.42Å; N443-L465 WeakPolarHBondContact O-CA 3.31Å; N443-Y466 PolarHBondContact O-N 3.44Å
444	F	95.5	Very high	86.7	Confident	9 Å²	9	36.4 Å²	36.4	4%	0.039	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	151.2	-174.8	-60.9	-74.7	0	0	0	113.3	G305 I307 Y331 S366 H367 M368 G369 W374 K442 Y466 M480	G305-F444 VanDerWaalsContact O-CZ 3.25Å; G305-F444 WeakPolarHBondContact O-CZ 3.4Å; I307-F444 HydrophobicContact CD1-CE2 4.13Å; Y331-F444 AromaticContact CE2-CD2 3.77Å; Y331-F444 HydrophobicContact CE2-CD2 3.77Å; Y331-F444 HydrophobicContact CE2-CE2 4.11Å; S366-F444 WeakPolarHBondContact OG-CE2 3.49Å; H367-F444 PolarHBondContact O-N 3.22Å; M368-F444 HydrophobicContact CB-CB 4.34Å; M368-F444 HydrophobicContact CG-CB 4.5Å; M368-F444 VanDerWaalsContact SD-C 3.58Å; M368-F444 HydrophobicContact SD-CB 3.43Å; M368-F444 WeakPolarHBondContact SD-CB 3.27Å; G369-F444 PolarHBondContact N-O 3.01Å; W374-F444 PolarHBondContact NE1-O 3.34Å; W374-F444 VanDerWaalsContact NE1-O 3.17Å; K442-F444 HydrophobicContact CB-CD2 4.5Å; K442-F444 HydrophobicContact CB-CE2 3.68Å; K442-F444 HydrophobicContact CB-CZ 4.01Å; F444-Y466 CarbonylContact C-O 3.51Å; F444-Y466 VanDerWaalsContact CA-O 3.3Å; F444-Y466 WeakPolarHBondContact CA-O 3.44Å; F444-Y466 HydrophobicContact CE1-CD2 4.32Å; F444-Y466 HydrophobicContact CE1-CG 4.4Å; F444-M480 HydrophobicContact CD1-CE 3.89Å; F444-M480 HydrophobicContact CE1-CE 3.77Å
445	Y	92.9	Very high	86.6	Confident	18 Å²	18	33.8 Å²	33.8	7%	0.071	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	159.1	163.2	77	-83.6	0	0	0	112.2	G369 M450 L455 L465 Y466 A467 G468	G369-Y445 WeakPolarHBondContact O-CA 3.47Å; G369-Y445 VanDerWaalsContact O-CB 3.26Å; G369-Y445 WeakPolarHBondContact O-CB 3.32Å; Y445-M450 HydrophobicContact CD1-CE 4.11Å; Y445-M450 HydrophobicContact CD2-CB 3.9Å; Y445-M450 HydrophobicContact CD2-CE 3.72Å; Y445-M450 HydrophobicContact CE2-CB 3.39Å; Y445-M450 HydrophobicContact CE2-CE 4.33Å; Y445-M450 HydrophobicContact CE2-CG 4.39Å; Y445-M450 HydrophobicContact CG-CE 3.58Å; Y445-L455 HydrophobicContact CE1-CD2 3.87Å; Y445-L465 HydrophobicContact CD1-CB 3.86Å; Y445-L465 HydrophobicContact CE1-CB 4.03Å; Y445-Y466 WeakPolarHBondContact CD1-O 3.46Å; Y445-Y466 PolarHBondContact N-O 3.28Å; Y445-A467 HydrophobicContact CD1-CB 4.46Å; Y445-A467 HydrophobicContact CE1-CB 3.71Å; Y445-A467 HydrophobicContact CE2-CB 4.09Å; Y445-G468 PolarHBondContact O-N 3.2Å
446	G	86.1	Confident	86.6	Confident	4 Å²	4	39 Å²	39	4%	0.041	22%	0.216	C	C	.	.			trans	-176	-160.9	178.3	0	0	0	0	0	112.2	P371 A448 G468	P371-G446 WeakPolarHBondContact CD-O 3.29Å; G446-A448 PolarHBondContact O-N 3Å; G446-G468 WeakPolarHBondContact CA-O 3.27Å
447	A	74.1	Confident	86.6	Confident	38 Å²	38	40.3 Å²	40.3	31%	0.314	22%	0.221	S	C	.	.	S	Bend	trans	62.9	-29.6	-172.2	0	0	0	0	0	115.9	V370 K696	V370-A447 HydrophobicContact CG1-CB 4.27Å; A447-K696 WeakPolarHBondContact O-CE 3.37Å; A447-K696 PolarHBondContact O-NZ 3.21Å
448	A	74.2	Confident	86.6	Confident	36 Å²	36	40.2 Å²	40.2	30%	0.298	22%	0.221	S	C	.	.	S	Bend	trans	-143.8	159.7	173.1	0	0	0	0	0	111.5	P371 G446	P371-A448 HydrophobicContact CG-CB 4.03Å; P371-A448 WeakPolarHBondContact CG-O 3.39Å; G446-A448 PolarHBondContact O-N 3Å
449	P	73.2	Confident	86.7	Confident	92 Å²	92	37.9 Å²	37.9	60%	0.597	20%	0.201	S	C	*	.			trans	-59	151.2	171.8	-22.5	34.3	0	0	0	112.4	P371	P371-P449 VanDerWaalsContact CG-O 3.24Å; P371-P449 WeakPolarHBondContact CG-O 3.28Å
450	M	80.5	Confident	86.6	Confident	22 Å²	22	32.6 Å²	32.6	11%	0.108	18%	0.179	C	C	.	.			trans	-107	142.9	175.4	-175.2	73.2	73.5	0	0	109.9	P371 W374 Y445 T454 L455 L465	P371-M450 HydrophobicContact CB-CE 4.1Å; P371-M450 HydrophobicContact CB-SD 3.89Å; P371-M450 HydrophobicContact CG-CE 4.21Å; P371-M450 HydrophobicContact CG-SD 4.43Å; W374-M450 HydrophobicContact CB-CE 3.88Å; W374-M450 HydrophobicContact CB-SD 4.36Å; W374-M450 HydrophobicContact CG-CE 3.9Å; Y445-M450 HydrophobicContact CD1-CE 4.11Å; Y445-M450 HydrophobicContact CD2-CB 3.9Å; Y445-M450 HydrophobicContact CD2-CE 3.72Å; Y445-M450 HydrophobicContact CE2-CB 3.39Å; Y445-M450 HydrophobicContact CE2-CE 4.33Å; Y445-M450 HydrophobicContact CE2-CG 4.39Å; Y445-M450 HydrophobicContact CG-CE 3.58Å; M450-T454 HydrophobicContact CG-CG2 4.4Å; M450-T454 HydrophobicContact SD-CG2 3.57Å; M450-T454 VanDerWaalsContact SD-CG2 3.57Å; M450-L455 HydrophobicContact CB-CD1 4.4Å; M450-L455 HydrophobicContact CB-CD2 4.3Å; M450-L455 HydrophobicContact CB-CG 4.18Å; M450-L455 HydrophobicContact CG-CD1 4.39Å; M450-L455 HydrophobicContact CG-CD2 3.83Å; M450-L455 HydrophobicContact CG-CG 3.66Å; M450-L465 HydrophobicContact CE-CD1 4.08Å
451	T	76.9	Confident	86.4	Confident	17 Å²	17	32 Å²	32	10%	0.104	18%	0.175	C	C	.	.			trans	-67	151.7	177.8	83.7	0	0	0	0	111.8	E453 T454 L455 E580	T451-E453 VanDerWaalsContact C-N 3.26Å; T451-E453 PolarHBondContact O-N 2.56Å; T451-T454 PolarHBondContact O-N 3.36Å; T451-T454 WeakPolarHBondContact OG1-CB 3.47Å; T451-T454 PolarHBondContact OG1-N 3.02Å; T451-T454 PolarHBondContact OG1-OG1 2.85Å; T451-L455 WeakPolarHBondContact O-CG 3.37Å; T451-L455 PolarHBondContact O-N 2.85Å; T451-E580 WeakPolarHBondContact CG2-OE2 3.34Å
452	A	78.7	Confident	86.3	Confident	45 Å²	45	28.9 Å²	28.9	37%	0.372	16%	0.162	S	C	.	.	H	α-helix	trans	-67.7	-27.3	176.8	0	0	0	0	0	112.9	R456 Y489	A452-R456 WeakPolarHBondContact O-CG 3.48Å; A452-R456 PolarHBondContact O-N 2.89Å; A452-Y489 HydrophobicContact CB-CD1 4.29Å; A452-Y489 HydrophobicContact CB-CE1 3.58Å
453	E	82	Confident	86.3	Confident	99 Å²	99	29 Å²	29	46%	0.463	16%	0.162	S	C	.	.	H	α-helix	trans	-66.1	-54.3	173.6	-176	-175.4	173.2	0	0	110.5	T451 L455 R456 F457	T451-E453 VanDerWaalsContact C-N 3.26Å; T451-E453 PolarHBondContact O-N 2.56Å; E453-L455 VanDerWaalsContact C-N 3.33Å; E453-L455 PolarHBondContact O-N 3.45Å; E453-R456 PolarHBondContact O-N 3.18Å; E453-R456 VanDerWaalsContact O-N 3.1Å; E453-F457 WeakPolarHBondContact O-CB 3.27Å; E453-F457 PolarHBondContact O-N 2.73Å
454	T	82.8	Confident	86.2	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.012	17%	0.171	C	C	.	.	H	α-helix	trans	-60.4	-42.1	-177.2	-53.8	0	0	0	0	111.4	W374 M378 M450 T451 R456 F457 F458	W374-T454 HydrophobicContact CB-CG2 4.2Å; M378-T454 HydrophobicContact SD-CG2 4.26Å; M450-T454 HydrophobicContact CG-CG2 4.4Å; M450-T454 HydrophobicContact SD-CG2 3.57Å; M450-T454 VanDerWaalsContact SD-CG2 3.57Å; T451-T454 PolarHBondContact O-N 3.36Å; T451-T454 WeakPolarHBondContact OG1-CB 3.47Å; T451-T454 PolarHBondContact OG1-N 3.02Å; T451-T454 PolarHBondContact OG1-OG1 2.85Å; T454-R456 PolarHBondContact O-N 2.68Å; T454-F457 PolarHBondContact O-N 2.86Å; T454-F458 HydrophobicContact CG2-CD2 3.73Å; T454-F458 HydrophobicContact CG2-CE2 3.69Å; T454-F458 WeakPolarHBondContact O-CD2 3.44Å; T454-F458 PolarHBondContact O-N 2.86Å
455	L	87.9	Confident	86.1	Confident	5 Å²	5	31.1 Å²	31.1	3%	0.026	17%	0.17	C	C	.	.	H	α-helix	trans	-59.3	-45.7	174.3	-71.1	171.8	0	0	0	112.6	Y445 M450 T451 E453 L459 L465 L488 Y489	Y445-L455 HydrophobicContact CE1-CD2 3.87Å; M450-L455 HydrophobicContact CB-CD1 4.4Å; M450-L455 HydrophobicContact CB-CD2 4.3Å; M450-L455 HydrophobicContact CB-CG 4.18Å; M450-L455 HydrophobicContact CG-CD1 4.39Å; M450-L455 HydrophobicContact CG-CD2 3.83Å; M450-L455 HydrophobicContact CG-CG 3.66Å; T451-L455 WeakPolarHBondContact O-CG 3.37Å; T451-L455 PolarHBondContact O-N 2.85Å; E453-L455 VanDerWaalsContact C-N 3.33Å; E453-L455 PolarHBondContact O-N 3.45Å; L455-L459 VanDerWaalsContact O-CB 3.24Å; L455-L459 WeakPolarHBondContact O-CB 3.46Å; L455-L459 PolarHBondContact O-N 2.84Å; L455-L459 VanDerWaalsContact O-N 3.08Å; L455-L465 HydrophobicContact CD2-CB 4.07Å; L455-L465 HydrophobicContact CD2-CD1 4.4Å; L455-L488 HydrophobicContact CB-CD1 3.96Å; L455-L488 HydrophobicContact CD1-CD1 4.43Å; L455-Y489 HydrophobicContact CD1-CD1 3.71Å; L455-Y489 HydrophobicContact CD1-CE1 4.16Å
456	R	89.1	Confident	86.2	Confident	127 Å²	127	30.8 Å²	30.8	48%	0.479	17%	0.169	S	C	.	.	H	α-helix	trans	-68.1	-37.2	177.5	-73.5	176	180	162.4	5.2	112.3	L404 A452 E453 T454 L459 G460 Y489	L404-R456 HydrophobicContact CD1-CB 4.26Å; L404-R456 HydrophobicContact CD1-CG 4.47Å; L404-R456 HydrophobicContact CD2-CB 4.31Å; A452-R456 WeakPolarHBondContact O-CG 3.48Å; A452-R456 PolarHBondContact O-N 2.89Å; E453-R456 PolarHBondContact O-N 3.18Å; E453-R456 VanDerWaalsContact O-N 3.1Å; T454-R456 PolarHBondContact O-N 2.68Å; R456-L459 PolarHBondContact O-N 3.02Å; R456-G460 PolarHBondContact O-N 2.64Å; R456-Y489 PolarHBondContact NE-OH 2.91Å; R456-Y489 PolarHBondContact NH2-OH 2.62Å
457	F	91.6	Very high	86.6	Confident	28 Å²	28	30.8 Å²	30.8	12%	0.123	17%	0.168	C	C	.	.	H	α-helix	trans	-60.9	-52.9	178.3	179.2	-88.3	0	0	0	111.4	M378 I381 Q382 M400 E453 T454 L459 G460 L461	M378-F457 HydrophobicContact CB-CD1 3.91Å; M378-F457 HydrophobicContact CB-CE1 3.84Å; M378-F457 HydrophobicContact CB-CZ 4.39Å; M378-F457 HydrophobicContact CG-CB 4.42Å; M378-F457 HydrophobicContact CG-CD1 3.56Å; M378-F457 HydrophobicContact CG-CD2 3.9Å; M378-F457 HydrophobicContact CG-CE1 3.65Å; M378-F457 HydrophobicContact CG-CE2 3.98Å; M378-F457 HydrophobicContact CG-CG 3.69Å; M378-F457 HydrophobicContact CG-CZ 3.86Å; M378-F457 HydrophobicContact SD-CB 3.8Å; M378-F457 HydrophobicContact SD-CD1 4.02Å; M378-F457 HydrophobicContact SD-CD2 4.16Å; M378-F457 HydrophobicContact SD-CG 3.73Å; I381-F457 HydrophobicContact CB-CE1 4.49Å; I381-F457 HydrophobicContact CB-CZ 4.04Å; I381-F457 HydrophobicContact CD1-CE1 4.08Å; I381-F457 HydrophobicContact CD1-CZ 4.43Å; I381-F457 HydrophobicContact CG2-CZ 3.84Å; Q382-F457 HydrophobicContact CG-CE2 3.98Å; Q382-F457 HydrophobicContact CG-CZ 4.35Å; M400-F457 HydrophobicContact CE-CD2 3.62Å; M400-F457 HydrophobicContact CE-CE2 3.69Å; M400-F457 HydrophobicContact CE-CG 4.05Å; M400-F457 HydrophobicContact CE-CZ 4.18Å; M400-F457 WeakPolarHBondContact CE-O 3.33Å; M400-F457 HydrophobicContact SD-CE2 4.44Å; E453-F457 WeakPolarHBondContact O-CB 3.27Å; E453-F457 PolarHBondContact O-N 2.73Å; T454-F457 PolarHBondContact O-N 2.86Å; F457-L459 PolarHBondContact O-N 2.73Å; F457-G460 PolarHBondContact O-N 2.92Å; F457-L461 HydrophobicContact CD1-CD1 4.09Å; F457-L461 HydrophobicContact CE1-CD1 3.52Å; F457-L461 HydrophobicContact CE1-CG 4.34Å; F457-L461 HydrophobicContact CZ-CD1 4.16Å; F457-L461 PolarHBondContact O-N 2.62Å; F457-L461 VanDerWaalsContact O-N 3.14Å
458	F	93.9	Very high	87.6	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.6	-37.3	178.1	-78.6	-75.5	0	0	0	112.2	W374 I377 M378 T454 G460 L461 N462 I463 L465	W374-F458 HydrophobicContact CB-CE2 3.99Å; W374-F458 HydrophobicContact CB-CZ 4.47Å; W374-F458 HydrophobicContact CE3-CD1 4.15Å; W374-F458 HydrophobicContact CE3-CD2 4.38Å; W374-F458 AromaticContact CE3-CE1 3.77Å; W374-F458 HydrophobicContact CE3-CE1 3.77Å; W374-F458 HydrophobicContact CE3-CE2 4.01Å; W374-F458 HydrophobicContact CE3-CG 4.46Å; W374-F458 AromaticContact CE3-CZ 3.71Å; W374-F458 HydrophobicContact CE3-CZ 3.71Å; W374-F458 HydrophobicContact CZ3-CD1 4.26Å; W374-F458 HydrophobicContact CZ3-CE1 4.03Å; W374-F458 HydrophobicContact CZ3-CZ 4.43Å; W374-F458 VanDerWaalsContact O-CE2 3.26Å; W374-F458 WeakPolarHBondContact O-CE2 3.47Å; W374-F458 WeakPolarHBondContact O-CZ 3.42Å; I377-F458 HydrophobicContact CB-CZ 4.05Å; I377-F458 HydrophobicContact CG2-CE1 3.92Å; I377-F458 HydrophobicContact CG2-CZ 3.75Å; M378-F458 HydrophobicContact CB-CE2 4.02Å; M378-F458 HydrophobicContact CB-CZ 4.25Å; T454-F458 HydrophobicContact CG2-CD2 3.73Å; T454-F458 HydrophobicContact CG2-CE2 3.69Å; T454-F458 WeakPolarHBondContact O-CD2 3.44Å; T454-F458 PolarHBondContact O-N 2.86Å; F458-G460 VanDerWaalsContact C-N 3.26Å; F458-G460 PolarHBondContact O-N 2.91Å; F458-L461 HydrophobicContact CD1-CD1 4.2Å; F458-L461 HydrophobicContact CE1-CD1 4.35Å; F458-L461 CarbonylContact O-C 3.54Å; F458-L461 WeakPolarHBondContact O-CA 3.05Å; F458-L461 WeakPolarHBondContact O-CB 3.32Å; F458-L461 PolarHBondContact O-N 2.8Å; F458-N462 PolarHBondContact O-N 2.88Å; F458-I463 CarbonylContact C-O 3.58Å; F458-I463 HydrophobicContact CB-CB 4.2Å; F458-I463 HydrophobicContact CB-CG2 4.42Å; F458-I463 HydrophobicContact CD1-CB 4.16Å; F458-I463 HydrophobicContact CD1-CD1 3.93Å; F458-I463 HydrophobicContact CD1-CG2 4.14Å; F458-I463 HydrophobicContact CE1-CD1 4.42Å; F458-I463 CarbonylContact O-C 3.54Å; F458-I463 WeakPolarHBondContact O-CA 3.41Å; F458-I463 PolarHBondContact O-N 2.71Å; F458-I463 VanDerWaalsContact O-O 3.07Å; F458-L465 HydrophobicContact CB-CD1 3.94Å; F458-L465 HydrophobicContact CB-CD2 4.31Å; F458-L465 HydrophobicContact CB-CG 3.87Å; F458-L465 HydrophobicContact CD2-CD1 3.72Å; F458-L465 HydrophobicContact CG-CD1 3.94Å; F458-L465 HydrophobicContact CG-CD2 4.36Å; F458-L465 HydrophobicContact CG-CG 4.23Å
459	L	92.3	Very high	88.6	Confident	2 Å²	2	29 Å²	29	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-60.4	-36.6	173.7	-165.9	63.4	0	0	0	112.1	L404 N407 L408 L455 R456 F457 N462 I463 R464 L488	L404-L459 HydrophobicContact CD1-CB 4.05Å; L404-L459 HydrophobicContact CD1-CD2 3.93Å; L404-L459 HydrophobicContact CD1-CG 4.12Å; N407-L459 HydrophobicContact CB-CD1 3.64Å; N407-L459 HydrophobicContact CB-CD2 4.01Å; N407-L459 HydrophobicContact CB-CG 3.61Å; L408-L459 HydrophobicContact CD2-CD2 4Å; L408-L459 HydrophobicContact CG-CD2 4.35Å; L455-L459 VanDerWaalsContact O-CB 3.24Å; L455-L459 WeakPolarHBondContact O-CB 3.46Å; L455-L459 PolarHBondContact O-N 2.84Å; L455-L459 VanDerWaalsContact O-N 3.08Å; R456-L459 PolarHBondContact O-N 3.02Å; F457-L459 PolarHBondContact O-N 2.73Å; L459-N462 PolarHBondContact O-N 3.23Å; L459-N462 VanDerWaalsContact O-N 3.11Å; L459-I463 PolarHBondContact N-O 3.13Å; L459-R464 HydrophobicContact CD1-CG 3.79Å; L459-L488 HydrophobicContact CD2-CD1 4.45Å
460	G	91.6	Very high	89.6	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-65.9	-30.2	170.5	0	0	0	0	0	114.3	M400 T403 R456 F457 F458 N462	M400-G460 WeakPolarHBondContact CA-O 3.47Å; T403-G460 WeakPolarHBondContact CB-O 3.49Å; R456-G460 PolarHBondContact O-N 2.64Å; F457-G460 PolarHBondContact O-N 2.92Å; F458-G460 VanDerWaalsContact C-N 3.26Å; F458-G460 PolarHBondContact O-N 2.91Å; G460-N462 PolarHBondContact O-N 3.46Å
461	L	90.6	Very high	90.2	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	3.9	170.7	-66	177	0	0	0	113.9	I381 L396 M400 L428 V431 R432 F457 F458 I463	I381-L461 HydrophobicContact CD1-CD1 3.83Å; L396-L461 HydrophobicContact CD1-CD2 4.26Å; M400-L461 HydrophobicContact CE-CD2 4.02Å; M400-L461 HydrophobicContact CE-CG 3.93Å; M400-L461 HydrophobicContact CG-CD2 3.9Å; M400-L461 HydrophobicContact SD-CD2 3.7Å; M400-L461 HydrophobicContact SD-CG 4.3Å; L428-L461 HydrophobicContact CD2-CD2 4.13Å; V431-L461 HydrophobicContact CG1-CD2 4.15Å; R432-L461 PolarHBondContact NH1-O 2.63Å; R432-L461 VanDerWaalsContact NH1-O 3.09Å; F457-L461 HydrophobicContact CD1-CD1 4.09Å; F457-L461 HydrophobicContact CE1-CD1 3.52Å; F457-L461 HydrophobicContact CE1-CG 4.34Å; F457-L461 HydrophobicContact CZ-CD1 4.16Å; F457-L461 PolarHBondContact O-N 2.62Å; F457-L461 VanDerWaalsContact O-N 3.14Å; F458-L461 HydrophobicContact CD1-CD1 4.2Å; F458-L461 HydrophobicContact CE1-CD1 4.35Å; F458-L461 CarbonylContact O-C 3.54Å; F458-L461 WeakPolarHBondContact O-CA 3.05Å; F458-L461 WeakPolarHBondContact O-CB 3.32Å; F458-L461 PolarHBondContact O-N 2.8Å; L461-I463 VanDerWaalsContact C-N 3.27Å; L461-I463 HydrophobicContact CB-CD1 3.98Å; L461-I463 HydrophobicContact CB-CG1 4.15Å; L461-I463 HydrophobicContact CD1-CD1 4.38Å
462	N	89.6	Confident	91.1	Very high	52 Å²	52	25.8 Å²	25.8	28%	0.278	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	27.8	-169.5	-147.3	20.3	0	0	0	113.7	T403 N407 D424 L428 F458 L459 G460	T403-N462 HydrophobicContact CG2-CB 3.7Å; N407-N462 PolarHBondContact ND2-OD1 3.34Å; D424-N462 PolarHBondContact OD1-ND2 3.06Å; L428-N462 HydrophobicContact CD1-CB 4.46Å; F458-N462 PolarHBondContact O-N 2.88Å; L459-N462 PolarHBondContact O-N 3.23Å; L459-N462 VanDerWaalsContact O-N 3.11Å; G460-N462 PolarHBondContact O-N 3.46Å
463	I	92.9	Very high	92	Very high	5 Å²	5	24.7 Å²	24.7	3%	0.026	12%	0.122	C	C	.	.			trans	-109.3	103.5	178.3	-59.7	170.7	0	0	0	107.6	W374 R432 F437 N443 F458 L459 L461 L465	W374-I463 HydrophobicContact CZ3-CG2 4.47Å; R432-I463 HydrophobicContact CG-CD1 4.11Å; R432-I463 HydrophobicContact CG-CG1 4.22Å; F437-I463 HydrophobicContact CD2-CD1 4.39Å; N443-I463 HydrophobicContact CB-CG2 4.06Å; F458-I463 CarbonylContact C-O 3.58Å; F458-I463 HydrophobicContact CB-CB 4.2Å; F458-I463 HydrophobicContact CB-CG2 4.42Å; F458-I463 HydrophobicContact CD1-CB 4.16Å; F458-I463 HydrophobicContact CD1-CD1 3.93Å; F458-I463 HydrophobicContact CD1-CG2 4.14Å; F458-I463 HydrophobicContact CE1-CD1 4.42Å; F458-I463 CarbonylContact O-C 3.54Å; F458-I463 WeakPolarHBondContact O-CA 3.41Å; F458-I463 PolarHBondContact O-N 2.71Å; F458-I463 VanDerWaalsContact O-O 3.07Å; L459-I463 PolarHBondContact N-O 3.13Å; L461-I463 VanDerWaalsContact C-N 3.27Å; L461-I463 HydrophobicContact CB-CD1 3.98Å; L461-I463 HydrophobicContact CB-CG1 4.15Å; L461-I463 HydrophobicContact CD1-CD1 4.38Å; I463-L465 HydrophobicContact CG2-CD2 3.91Å; I463-L465 PolarHBondContact O-N 2.77Å
464	R	93.1	Very high	92.7	Very high	56 Å²	56	20 Å²	20	21%	0.211	10%	0.1	C	C	.	.			trans	-80	115.4	175.8	-68.4	180	-179.9	-173.9	-3.5	109.3	N407 P411 L459 Y466	N407-R464 PolarHBondContact OD1-NE 2.86Å; N407-R464 VanDerWaalsContact OD1-NE 3.09Å; N407-R464 PolarHBondContact OD1-NH2 3.48Å; P411-R464 PolarHBondContact O-NH1 2.68Å; P411-R464 PolarHBondContact O-NH2 2.65Å; P411-R464 VanDerWaalsContact O-NH2 3.12Å; L459-R464 HydrophobicContact CD1-CG 3.79Å; R464-Y466 HydrophobicContact CB-CE1 4.13Å; R464-Y466 HydrophobicContact CB-CE2 4.47Å
465	L	94.5	Very high	93.5	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.016	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	115.2	175.8	-60.3	-171	0	0	0	110.6	W374 N443 Y445 M450 L455 F458 I463 Y486	W374-L465 HydrophobicContact CD2-CD1 4.09Å; W374-L465 HydrophobicContact CD2-CD2 3.83Å; W374-L465 HydrophobicContact CE3-CD1 4.31Å; W374-L465 HydrophobicContact CE3-CD2 3.72Å; W374-L465 HydrophobicContact CG-CD1 4.19Å; W374-L465 HydrophobicContact CH2-CD2 3.57Å; W374-L465 HydrophobicContact CZ2-CD2 3.65Å; W374-L465 HydrophobicContact CZ3-CD2 3.6Å; N443-L465 HydrophobicContact CB-CD2 3.84Å; N443-L465 CarbonylContact O-C 3.42Å; N443-L465 WeakPolarHBondContact O-CA 3.31Å; Y445-L465 HydrophobicContact CD1-CB 3.86Å; Y445-L465 HydrophobicContact CE1-CB 4.03Å; M450-L465 HydrophobicContact CE-CD1 4.08Å; L455-L465 HydrophobicContact CD2-CB 4.07Å; L455-L465 HydrophobicContact CD2-CD1 4.4Å; F458-L465 HydrophobicContact CB-CD1 3.94Å; F458-L465 HydrophobicContact CB-CD2 4.31Å; F458-L465 HydrophobicContact CB-CG 3.87Å; F458-L465 HydrophobicContact CD2-CD1 3.72Å; F458-L465 HydrophobicContact CG-CD1 3.94Å; F458-L465 HydrophobicContact CG-CD2 4.36Å; F458-L465 HydrophobicContact CG-CG 4.23Å; I463-L465 HydrophobicContact CG2-CD2 3.91Å; I463-L465 PolarHBondContact O-N 2.77Å; L465-Y486 WeakPolarHBondContact O-CE2 3.38Å
466	Y	95.8	Very high	93.8	Very high	12 Å²	12	20 Å²	20	5%	0.047	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	122.8	-179.2	-58	-64	0	0	0	110.7	N443 F444 Y445 R464 S482 P483 Y486	N443-Y466 PolarHBondContact O-N 3.44Å; F444-Y466 CarbonylContact C-O 3.51Å; F444-Y466 VanDerWaalsContact CA-O 3.3Å; F444-Y466 WeakPolarHBondContact CA-O 3.44Å; F444-Y466 HydrophobicContact CE1-CD2 4.32Å; F444-Y466 HydrophobicContact CE1-CG 4.4Å; Y445-Y466 WeakPolarHBondContact CD1-O 3.46Å; Y445-Y466 PolarHBondContact N-O 3.28Å; R464-Y466 HydrophobicContact CB-CE1 4.13Å; R464-Y466 HydrophobicContact CB-CE2 4.47Å; Y466-S482 WeakPolarHBondContact CE1-O 3.48Å; Y466-P483 HydrophobicContact CE1-CG 4.49Å; Y466-P483 HydrophobicContact CE2-CG 4.34Å; Y466-Y486 AromaticContact CD1-CD2 3.92Å; Y466-Y486 HydrophobicContact CD1-CD2 3.92Å; Y466-Y486 HydrophobicContact CE1-CD2 4.09Å; Y466-Y486 HydrophobicContact CE1-CG 4.49Å
467	A	93.8	Very high	94	Very high	3 Å²	3	15 Å²	15	3%	0.025	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	138.1	179	0	0	0	0	0	111.8	Y445 S481 S490	Y445-A467 HydrophobicContact CD1-CB 4.46Å; Y445-A467 HydrophobicContact CE1-CB 3.71Å; Y445-A467 HydrophobicContact CE2-CB 4.09Å; A467-S481 PolarHBondContact N-OG 2.9Å; A467-S481 WeakPolarHBondContact O-CB 3.44Å; A467-S481 PolarHBondContact O-N 2.93Å; A467-S481 PolarHBondContact O-OG 2.79Å; A467-S490 WeakPolarHBondContact CB-O 3.3Å
468	G	93.8	Very high	94.3	Very high	17 Å²	17	13.7 Å²	13.7	18%	0.175	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.6	162.4	0	0	0	0	0	110.8	Y445 G446 F479	Y445-G468 PolarHBondContact O-N 3.2Å; G446-G468 WeakPolarHBondContact CA-O 3.27Å; G468-F479 WeakPolarHBondContact CA-O 3.44Å
469	Y	95.4	Very high	94.4	Very high	19 Å²	19	13.7 Å²	13.7	8%	0.075	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138.2	175.8	167.4	-101.9	0	0	0	112	H478 F479 I513 D545 L555 I557	Y469-H478 PolarHBondContact O-N 3.32Å; Y469-F479 HydrophobicContact CD1-CB 4.36Å; Y469-F479 AromaticContact CD1-CD2 3.91Å; Y469-F479 HydrophobicContact CD1-CD2 3.91Å; Y469-F479 HydrophobicContact CD1-CG 4.41Å; Y469-F479 HydrophobicContact CE1-CD2 4.47Å; Y469-F479 PolarHBondContact N-O 3.08Å; Y469-F479 PolarHBondContact O-N 2.85Å; Y469-I513 HydrophobicContact CE1-CD1 4.35Å; Y469-I513 HydrophobicContact CE1-CG2 4.27Å; Y469-D545 WeakPolarHBondContact CE2-OD2 3.42Å; Y469-D545 WeakPolarHBondContact OH-CB 3.35Å; Y469-D545 PolarHBondContact OH-OD2 3.07Å; Y469-L555 HydrophobicContact CD1-CD2 3.45Å; Y469-L555 VanDerWaalsContact CD1-CD2 3.45Å; Y469-L555 HydrophobicContact CE1-CD2 3.86Å; Y469-L555 HydrophobicContact CG-CD2 4.16Å; Y469-I557 HydrophobicContact CD2-CD1 3.29Å; Y469-I557 HydrophobicContact CD2-CG1 4.28Å; Y469-I557 HydrophobicContact CE2-CD1 3.78Å; Y469-I557 HydrophobicContact CE2-CG1 4.48Å; Y469-I557 HydrophobicContact CG-CD1 3.76Å
470	G	94.3	Very high	94.6	Very high	22 Å²	22	14.3 Å²	14.3	23%	0.227	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.3	177.8	176.4	0	0	0	0	0	111.1	G476	G470-G476 WeakPolarHBondContact CA-O 3.3Å
471	L	94.7	Very high	94.8	Very high	32 Å²	32	14.3 Å²	14.3	17%	0.168	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	176.1	-171.7	-60.4	179.4	0	0	0	111.2	E473 S474 T475 G476 L541 T543	L471-E473 VanDerWaalsContact C-N 3.26Å; L471-E473 HydrophobicContact CB-CB 4.34Å; L471-S474 PolarHBondContact N-OG 3.28Å; L471-S474 PolarHBondContact O-N 2.75Å; L471-S474 PolarHBondContact O-OG 2.69Å; L471-T475 PolarHBondContact O-N 2.99Å; L471-G476 PolarHBondContact O-N 3.37Å; L471-L541 HydrophobicContact CD1-CD2 4.49Å; L471-T543 HydrophobicContact CD1-CG2 3.83Å
472	S	95.1	Very high	94.9	Very high	10 Å²	10	14.6 Å²	14.6	7%	0.07	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-39.3	165.7	-63	0	0	0	0	110.3	T277 V287 S474 T475	T277-S472 VanDerWaalsContact CG2-OG 3.3Å; T277-S472 WeakPolarHBondContact CG2-OG 3.42Å; V287-S472 WeakPolarHBondContact CG1-O 3.49Å; S472-S474 PolarHBondContact O-N 3.35Å; S472-T475 PolarHBondContact O-N 2.87Å
473	E	97.7	Very high	94.9	Very high	23 Å²	23	14.2 Å²	14.2	11%	0.107	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-16	177.5	-63.6	85.5	164.6	0	0	113.7	V287 L471 F521 Y524 L541	V287-E473 HydrophobicContact CG1-CG 4.45Å; V287-E473 HydrophobicContact CG2-CG 4.21Å; L471-E473 VanDerWaalsContact C-N 3.26Å; L471-E473 HydrophobicContact CB-CB 4.34Å; E473-F521 HydrophobicContact CB-CD1 4.05Å; E473-F521 HydrophobicContact CB-CD2 4.31Å; E473-F521 HydrophobicContact CB-CE1 4.14Å; E473-F521 HydrophobicContact CB-CE2 4.37Å; E473-F521 HydrophobicContact CB-CG 4.14Å; E473-F521 HydrophobicContact CB-CZ 4.29Å; E473-F521 HydrophobicContact CG-CD2 4.07Å; E473-F521 HydrophobicContact CG-CE1 4.32Å; E473-F521 HydrophobicContact CG-CE2 3.82Å; E473-F521 HydrophobicContact CG-CG 4.42Å; E473-F521 HydrophobicContact CG-CZ 3.96Å; E473-F521 WeakPolarHBondContact O-CB 3.38Å; E473-F521 WeakPolarHBondContact O-CD1 3.42Å; E473-F521 PolarHBondContact O-N 2.87Å; E473-Y524 HydrophobicContact CG-CE1 4.02Å; E473-Y524 WeakPolarHBondContact OE1-CE1 3.4Å; E473-Y524 PolarHBondContact OE1-OH 3.35Å; E473-L541 HydrophobicContact CB-CD1 3.92Å; E473-L541 HydrophobicContact CB-CD2 3.7Å; E473-L541 HydrophobicContact CB-CG 4.49Å
474	S	97.4	Very high	94.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	21.7	168.9	71.9	0	0	0	0	112.9	L471 S472 G476 T519	L471-S474 PolarHBondContact N-OG 3.28Å; L471-S474 PolarHBondContact O-N 2.75Å; L471-S474 PolarHBondContact O-OG 2.69Å; S472-S474 PolarHBondContact O-N 3.35Å; S474-G476 PolarHBondContact O-N 3.49Å; S474-G476 VanDerWaalsContact O-N 3.16Å; S474-G476 PolarHBondContact OG-O 3.11Å; S474-T519 CarbonylContact C-O 3.57Å; S474-T519 VanDerWaalsContact CA-O 3.27Å; S474-T519 WeakPolarHBondContact CA-O 3.27Å; S474-T519 WeakPolarHBondContact O-CB 3.33Å
475	T	97.9	Very high	94.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	32.5	177.6	-41.1	0	0	0	0	113.9	L289 N293 I294 T297 I326 I330 L471 S472 T519	L289-T475 HydrophobicContact CD1-CG2 4.04Å; L289-T475 HydrophobicContact CD2-CG2 4.36Å; N293-T475 HydrophobicContact CB-CG2 3.85Å; N293-T475 WeakPolarHBondContact CB-OG1 3.27Å; I294-T475 HydrophobicContact CD1-CG2 3.96Å; T297-T475 WeakPolarHBondContact CG2-O 3.43Å; I326-T475 HydrophobicContact CD1-CG2 4.24Å; I326-T475 HydrophobicContact CG1-CG2 4.24Å; I330-T475 HydrophobicContact CD1-CG2 4.2Å; I330-T475 WeakPolarHBondContact CG1-O 3.03Å; L471-T475 PolarHBondContact O-N 2.99Å; S472-T475 PolarHBondContact O-N 2.87Å; T475-T519 WeakPolarHBondContact CB-O 3.36Å; T475-T519 PolarHBondContact N-O 3.16Å; T475-T519 PolarHBondContact OG1-O 2.91Å
476	G	94.1	Very high	94.5	Very high	6 Å²	6	24 Å²	24	6%	0.062	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.5	-139.5	-170.6	0	0	0	0	0	111.8	G470 L471 S474 H478	G470-G476 WeakPolarHBondContact CA-O 3.3Å; L471-G476 PolarHBondContact O-N 3.37Å; S474-G476 PolarHBondContact O-N 3.49Å; S474-G476 VanDerWaalsContact O-N 3.16Å; S474-G476 PolarHBondContact OG-O 3.11Å; G476-H478 PolarHBondContact O-N 2.99Å
477	P	94.5	Very high	94.3	Very high	23 Å²	23	27.5 Å²	27.5	15%	0.149	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	124.7	-162.7	27.7	-34.9	0	0	0	113.8	T297 M480	T297-P477 HydrophobicContact CG2-CG 4.18Å; P477-M480 HydrophobicContact CB-CG 3.85Å; P477-M480 HydrophobicContact CB-SD 3.43Å; P477-M480 WeakPolarHBondContact CB-SD 3.14Å; P477-M480 HydrophobicContact CG-SD 4.11Å
478	H	96.9	Very high	94	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-20.1	170.6	-157.4	102.3	0	0	0	111.9	Y469 G476 V495 R499 L515 W516 T519	Y469-H478 PolarHBondContact O-N 3.32Å; G476-H478 PolarHBondContact O-N 2.99Å; H478-V495 WeakPolarHBondContact O-CG2 3.47Å; H478-V495 PolarHBondContact O-N 2.87Å; H478-R499 PolarHBondContact NE2-O 3.11Å; H478-L515 HydrophobicContact CB-CD1 3.99Å; H478-W516 PolarHBondContact CE1-O 3.22Å; H478-T519 PolarHBondContact CE1-OG1 2.56Å; H478-T519 PolarHBondContact ND1-OG1 2.69Å
479	F	97.3	Very high	93.6	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.7	167	-77.3	-103.8	0	0	0	109.7	G468 Y469 R493 V494 V500 L515 L549 L555	G468-F479 WeakPolarHBondContact CA-O 3.44Å; Y469-F479 HydrophobicContact CD1-CB 4.36Å; Y469-F479 AromaticContact CD1-CD2 3.91Å; Y469-F479 HydrophobicContact CD1-CD2 3.91Å; Y469-F479 HydrophobicContact CD1-CG 4.41Å; Y469-F479 HydrophobicContact CE1-CD2 4.47Å; Y469-F479 PolarHBondContact N-O 3.08Å; Y469-F479 PolarHBondContact O-N 2.85Å; F479-R493 CarbonylContact C-O 2.98Å; F479-R493 VanDerWaalsContact CA-O 3.26Å; F479-R493 WeakPolarHBondContact CA-O 3.3Å; F479-V494 HydrophobicContact CD1-CB 4.34Å; F479-V494 VanDerWaalsContact CD1-N 3.28Å; F479-V494 HydrophobicContact CE1-CB 3.96Å; F479-V494 HydrophobicContact CZ-CB 4.12Å; F479-V500 HydrophobicContact CE2-CB 4.15Å; F479-V500 HydrophobicContact CE2-CG2 4.11Å; F479-V500 HydrophobicContact CZ-CB 3.84Å; F479-V500 HydrophobicContact CZ-CG1 3.85Å; F479-V500 HydrophobicContact CZ-CG2 3.86Å; F479-L515 HydrophobicContact CE2-CD2 4Å; F479-L549 HydrophobicContact CE1-CD2 3.92Å; F479-L549 HydrophobicContact CZ-CD2 4.18Å; F479-L555 HydrophobicContact CB-CD2 4.49Å; F479-L555 HydrophobicContact CD1-CB 3.6Å; F479-L555 HydrophobicContact CD1-CD2 3.98Å; F479-L555 HydrophobicContact CD1-CG 4.43Å; F479-L555 HydrophobicContact CD2-CD2 3.79Å; F479-L555 HydrophobicContact CE1-CB 3.59Å; F479-L555 HydrophobicContact CE1-CD2 4.11Å; F479-L555 HydrophobicContact CE1-CG 4.35Å; F479-L555 HydrophobicContact CE2-CD2 3.89Å; F479-L555 HydrophobicContact CG-CB 4.28Å; F479-L555 HydrophobicContact CG-CD2 3.83Å; F479-L555 HydrophobicContact CZ-CB 4.22Å; F479-L555 HydrophobicContact CZ-CD2 4.04Å
480	M	96.3	Very high	93.5	Very high	15 Å²	15	31.5 Å²	31.5	7%	0.074	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	138.7	-179.9	-74.4	-61.7	-66.9	0	0	111.9	A304 F444 P477 N485 G492 R493 V495	A304-M480 HydrophobicContact CB-CB 4.01Å; A304-M480 HydrophobicContact CB-CG 4.3Å; F444-M480 HydrophobicContact CD1-CE 3.89Å; F444-M480 HydrophobicContact CE1-CE 3.77Å; P477-M480 HydrophobicContact CB-CG 3.85Å; P477-M480 HydrophobicContact CB-SD 3.43Å; P477-M480 WeakPolarHBondContact CB-SD 3.14Å; P477-M480 HydrophobicContact CG-SD 4.11Å; M480-N485 PolarHBondContact O-ND2 3.46Å; M480-G492 WeakPolarHBondContact O-CA 3.36Å; M480-R493 PolarHBondContact N-O 2.7Å; M480-R493 PolarHBondContact O-N 3.04Å; M480-V495 HydrophobicContact CB-CG2 4.25Å; M480-V495 HydrophobicContact CG-CG2 3.84Å
481	S	95.1	Very high	93.4	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.007	14%	0.144	C	C	.	.			trans	-95.7	151.3	161.3	-44.4	0	0	0	0	109.6	A467 G492	A467-S481 PolarHBondContact N-OG 2.9Å; A467-S481 WeakPolarHBondContact O-CB 3.44Å; A467-S481 PolarHBondContact O-N 2.93Å; A467-S481 PolarHBondContact O-OG 2.79Å; S481-G492 VanDerWaalsContact OG-CA 3.24Å; S481-G492 WeakPolarHBondContact OG-CA 3.46Å; S481-G492 PolarHBondContact OG-N 3.23Å
482	S	93.7	Very high	93.4	Very high	7 Å²	7	29.6 Å²	29.6	5%	0.049	14%	0.136	C	C	.	.			trans	-150.5	175.1	179.2	76.8	0	0	0	0	109.3	A304 Y466 Y484 N485 Y486	A304-S482 WeakPolarHBondContact O-CB 3.49Å; Y466-S482 WeakPolarHBondContact CE1-O 3.48Å; S482-Y484 PolarHBondContact O-N 2.76Å; S482-Y484 PolarHBondContact OG-N 3.21Å; S482-N485 WeakPolarHBondContact CA-OD1 3.35Å; S482-N485 VanDerWaalsContact CB-OD1 3.3Å; S482-N485 WeakPolarHBondContact CB-OD1 3.37Å; S482-N485 PolarHBondContact N-OD1 3.03Å; S482-N485 CarbonylContact O-C 3.6Å; S482-N485 PolarHBondContact O-N 2.84Å; S482-N485 PolarHBondContact OG-N 2.69Å; S482-N485 PolarHBondContact OG-OD1 2.92Å; S482-Y486 PolarHBondContact O-N 3.44Å
483	P	89.8	Confident	93.5	Very high	44 Å²	44	33.6 Å²	33.6	29%	0.286	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-25.9	172.4	-26.5	36	0	0	0	114.4	D306 Y466	D306-P483 HydrophobicContact CB-CG 4.4Å; Y466-P483 HydrophobicContact CE1-CG 4.49Å; Y466-P483 HydrophobicContact CE2-CG 4.34Å
484	Y	89.1	Confident	93.4	Very high	183 Å²	183	35 Å²	35	72%	0.718	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-15	-174.6	-52.1	-65.3	0	0	0	114.7	D306 S482	D306-Y484 HydrophobicContact CB-CD2 4.49Å; D306-Y484 HydrophobicContact CB-CE2 4.21Å; S482-Y484 PolarHBondContact O-N 2.76Å; S482-Y484 PolarHBondContact OG-N 3.21Å
485	N	90.9	Very high	93.3	Very high	30 Å²	30	35.1 Å²	35.1	16%	0.16	16%	0.16	C	C	.	.	S	Bend	trans	-137.9	59.5	179.3	67.1	-10.8	0	0	0	110.7	M480 S482 F554	M480-N485 PolarHBondContact O-ND2 3.46Å; S482-N485 WeakPolarHBondContact CA-OD1 3.35Å; S482-N485 VanDerWaalsContact CB-OD1 3.3Å; S482-N485 WeakPolarHBondContact CB-OD1 3.37Å; S482-N485 PolarHBondContact N-OD1 3.03Å; S482-N485 CarbonylContact O-C 3.6Å; S482-N485 PolarHBondContact O-N 2.84Å; S482-N485 PolarHBondContact OG-N 2.69Å; S482-N485 PolarHBondContact OG-OD1 2.92Å; N485-F554 HydrophobicContact CB-CE1 4.5Å; N485-F554 HydrophobicContact CB-CZ 4.35Å; N485-F554 VanDerWaalsContact O-CE1 3.27Å; N485-F554 WeakPolarHBondContact O-CE1 3.33Å
486	Y	91.5	Very high	93	Very high	55 Å²	55	39.1 Å²	39.1	22%	0.216	19%	0.186	C	C	.	.			trans	-98.6	130.2	177.9	-177.3	-106.7	0	0	0	112.2	L465 Y466 S482 L488	L465-Y486 WeakPolarHBondContact O-CE2 3.38Å; Y466-Y486 AromaticContact CD1-CD2 3.92Å; Y466-Y486 HydrophobicContact CD1-CD2 3.92Å; Y466-Y486 HydrophobicContact CE1-CD2 4.09Å; Y466-Y486 HydrophobicContact CE1-CG 4.49Å; S482-Y486 PolarHBondContact O-N 3.44Å; Y486-L488 WeakPolarHBondContact OH-CD1 3.41Å
487	R	90.9	Very high	92.8	Very high	86 Å²	86	39.6 Å²	39.6	33%	0.325	19%	0.191	S	C	.	.			trans	-140.2	126.9	166.8	-174.1	167.4	-77.5	179	-3.1	108.6	Y489 S490 D550 D552 F554 Y556	R487-Y489 PolarHBondContact O-N 2.93Å; R487-S490 WeakPolarHBondContact O-CB 3.27Å; R487-S490 PolarHBondContact O-N 3.33Å; R487-S490 VanDerWaalsContact O-N 3.11Å; R487-D550 IonicContact CZ-OD2 3.27Å; R487-D550 IonicContact NH1-OD1 3.43Å; R487-D550 IonicContact NH1-OD2 2.82Å; R487-D550 PolarHBondContact NH1-OD2 3.33Å; R487-D552 IonicContact CZ-OD2 3.88Å; R487-D552 VanDerWaalsContact CZ-OD2 3.25Å; R487-D552 IonicContact NH1-OD2 3.99Å; R487-D552 PolarHBondContact NH1-OD2 2.77Å; R487-D552 IonicContact NH2-OD2 2.97Å; R487-D552 PolarHBondContact NH2-OD2 2.86Å; R487-F554 HydrophobicContact CB-CD1 3.79Å; R487-F554 HydrophobicContact CB-CD2 4.47Å; R487-F554 HydrophobicContact CB-CE1 3.64Å; R487-F554 HydrophobicContact CB-CE2 4.37Å; R487-F554 HydrophobicContact CB-CG 4.2Å; R487-F554 HydrophobicContact CB-CZ 3.96Å; R487-Y556 WeakPolarHBondContact CD-OH 3.25Å; R487-Y556 WeakPolarHBondContact CG-OH 3.26Å
488	L	87.6	Confident	92.8	Very high	27 Å²	27	39 Å²	39	14%	0.141	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	139.6	-177.9	-169.3	66	0	0	0	110.5	L408 L455 L459 Y486 S490	L408-L488 HydrophobicContact CD2-CD2 3.71Å; L455-L488 HydrophobicContact CB-CD1 3.96Å; L455-L488 HydrophobicContact CD1-CD1 4.43Å; L459-L488 HydrophobicContact CD2-CD1 4.45Å; Y486-L488 WeakPolarHBondContact OH-CD1 3.41Å; L488-S490 PolarHBondContact O-N 2.85Å
489	Y	86.1	Confident	92.8	Very high	93 Å²	93	44 Å²	44	37%	0.365	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	-4.3	-174.7	-40.3	-59.9	0	0	0	116.7	A452 L455 R456 R487	A452-Y489 HydrophobicContact CB-CD1 4.29Å; A452-Y489 HydrophobicContact CB-CE1 3.58Å; L455-Y489 HydrophobicContact CD1-CD1 3.71Å; L455-Y489 HydrophobicContact CD1-CE1 4.16Å; R456-Y489 PolarHBondContact NE-OH 2.91Å; R456-Y489 PolarHBondContact NH2-OH 2.62Å; R487-Y489 PolarHBondContact O-N 2.93Å
490	S	92	Very high	92.8	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.028	22%	0.217	C	C	.	.			trans	-83.9	153.1	174.9	-179.9	0	0	0	0	111.9	A467 R487 L488 G492 F554 L555	A467-S490 WeakPolarHBondContact CB-O 3.3Å; R487-S490 WeakPolarHBondContact O-CB 3.27Å; R487-S490 PolarHBondContact O-N 3.33Å; R487-S490 VanDerWaalsContact O-N 3.11Å; L488-S490 PolarHBondContact O-N 2.85Å; S490-G492 PolarHBondContact O-N 3.3Å; S490-G492 PolarHBondContact OG-N 3.17Å; S490-F554 WeakPolarHBondContact OG-CB 3.41Å; S490-F554 WeakPolarHBondContact OG-CD1 3.4Å; S490-L555 WeakPolarHBondContact CA-O 3.39Å; S490-L555 WeakPolarHBondContact CB-O 3.32Å; S490-L555 PolarHBondContact OG-O 2.93Å
491	S	92.5	Very high	92.8	Very high	14 Å²	14	47.3 Å²	47.3	10%	0.098	22%	0.223	C	C	.	.			trans	-80.8	7	166.1	-54.9	0	0	0	0	114	L555 I557	S491-L555 PolarHBondContact N-O 3.08Å; S491-I557 VanDerWaalsContact OG-CD1 3.29Å; S491-I557 WeakPolarHBondContact OG-CD1 3.49Å
492	G	95.1	Very high	92.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.229	C	C	.	.			trans	90.3	-161.5	-178.5	0	0	0	0	0	113.2	M480 S481 S490 F554 L555	M480-G492 WeakPolarHBondContact O-CA 3.36Å; S481-G492 VanDerWaalsContact OG-CA 3.24Å; S481-G492 WeakPolarHBondContact OG-CA 3.46Å; S481-G492 PolarHBondContact OG-N 3.23Å; S490-G492 PolarHBondContact O-N 3.3Å; S490-G492 PolarHBondContact OG-N 3.17Å; G492-F554 WeakPolarHBondContact O-CA 3.46Å; G492-L555 PolarHBondContact O-N 3.37Å
493	R	96.9	Very high	92.9	Very high	94 Å²	94	49.6 Å²	49.6	36%	0.355	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	160.3	178.4	-69.1	-176.9	164.5	173.4	-6.5	111.1	F479 M480 V495 D552 F554	F479-R493 CarbonylContact C-O 2.98Å; F479-R493 VanDerWaalsContact CA-O 3.26Å; F479-R493 WeakPolarHBondContact CA-O 3.3Å; M480-R493 PolarHBondContact N-O 2.7Å; M480-R493 PolarHBondContact O-N 3.04Å; R493-V495 PolarHBondContact O-N 3.35Å; R493-D552 PolarHBondContact NE-O 3.34Å; R493-D552 PolarHBondContact NH2-O 3.19Å; R493-D552 IonicContact NH2-OD1 3.73Å; R493-F554 HydrophobicContact CG-CD1 4.05Å; R493-F554 HydrophobicContact CG-CD2 4.33Å; R493-F554 HydrophobicContact CG-CE1 4.1Å; R493-F554 HydrophobicContact CG-CE2 4.37Å; R493-F554 HydrophobicContact CG-CG 4.19Å; R493-F554 HydrophobicContact CG-CZ 4.26Å
494	V	96.5	Very high	93	Very high	53 Å²	53	54.3 Å²	54.3	32%	0.321	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	136.6	175.5	65.7	0	0	0	0	110.9	F479 C498	F479-V494 HydrophobicContact CD1-CB 4.34Å; F479-V494 VanDerWaalsContact CD1-N 3.28Å; F479-V494 HydrophobicContact CE1-CB 3.96Å; F479-V494 HydrophobicContact CZ-CB 4.12Å; V494-C498 HydrophobicContact CG2-CB 3.88Å
495	V	95.4	Very high	93.1	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-63	135.4	177	171.1	0	0	0	0	109.5	A304 H478 M480 R493 G497 C498	A304-V495 HydrophobicContact CB-CB 4.4Å; A304-V495 HydrophobicContact CB-CG1 4.14Å; A304-V495 HydrophobicContact CB-CG2 3.99Å; H478-V495 WeakPolarHBondContact O-CG2 3.47Å; H478-V495 PolarHBondContact O-N 2.87Å; M480-V495 HydrophobicContact CB-CG2 4.25Å; M480-V495 HydrophobicContact CG-CG2 3.84Å; R493-V495 PolarHBondContact O-N 3.35Å; V495-G497 PolarHBondContact O-N 3.44Å; V495-C498 VanDerWaalsContact O-CB 3.24Å; V495-C498 WeakPolarHBondContact O-CB 3.47Å; V495-C498 PolarHBondContact O-N 3.29Å
496	P	90.8	Very high	92.8	Very high	84 Å²	84	53.3 Å²	53.3	55%	0.545	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	136.6	178.3	-28.2	36.5	0	0	0	112.8	C498	P496-C498 VanDerWaalsContact C-N 3.28Å
497	G	90.6	Very high	92.3	Very high	16 Å²	16	55.8 Å²	55.8	17%	0.165	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-3.6	-173.9	0	0	0	0	0	114.9	V495	V495-G497 PolarHBondContact O-N 3.44Å
498	C	94.8	Very high	91.7	Very high	11 Å²	11	57.9 Å²	57.9	7%	0.074	31%	0.312	C	S	.	.			trans	-104.1	157.5	173.4	-56.8	0	0	0	0	111.7	V494 V495 P496	V494-C498 HydrophobicContact CG2-CB 3.88Å; V495-C498 VanDerWaalsContact O-CB 3.24Å; V495-C498 WeakPolarHBondContact O-CB 3.47Å; V495-C498 PolarHBondContact O-N 3.29Å; P496-C498 VanDerWaalsContact C-N 3.28Å
499	R	95.7	Very high	91.7	Very high	106 Å²	106	57.8 Å²	57.8	40%	0.4	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	154.4	178.3	-64.2	174.1	68.5	175.5	-3	110.7	E90 F92 H478 W516 W540	E90-R499 IonicContact OE1-CZ 2.59Å; E90-R499 IonicContact OE1-NH1 2.57Å; E90-R499 PolarHBondContact OE1-NH1 3.33Å; F92-R499 HydrophobicContact CZ-CG 3.87Å; H478-R499 PolarHBondContact NE2-O 3.11Å; R499-W516 HydrophobicContact CB-CB 4.21Å; R499-W516 HydrophobicContact CB-CE3 4.43Å; R499-W516 HydrophobicContact CG-CE3 4.26Å; R499-W516 PolarHBondContact N-O 3.37Å; R499-W516 PolarHBondContact O-N 2.98Å; R499-W540 HydrophobicContact CB-CH2 3.91Å; R499-W540 HydrophobicContact CB-CZ3 4.11Å
500	V	96.9	Very high	91.8	Very high	36 Å²	36	55 Å²	55	22%	0.218	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	144.9	172.6	59.4	0	0	0	0	109.2	F479 I513 C514 L515 W540 L549	F479-V500 HydrophobicContact CE2-CB 4.15Å; F479-V500 HydrophobicContact CE2-CG2 4.11Å; F479-V500 HydrophobicContact CZ-CB 3.84Å; F479-V500 HydrophobicContact CZ-CG1 3.85Å; F479-V500 HydrophobicContact CZ-CG2 3.86Å; V500-I513 HydrophobicContact CG2-CG2 4.07Å; V500-C514 WeakPolarHBondContact CA-O 3.43Å; V500-L515 HydrophobicContact CG2-CD2 4.37Å; V500-W540 VanDerWaalsContact C-CZ3 3.5Å; V500-L549 HydrophobicContact CG1-CD1 3.86Å; V500-L549 HydrophobicContact CG2-CD1 4.41Å
501	K	96.2	Very high	91.8	Very high	49 Å²	49	54.9 Å²	54.9	21%	0.213	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	148.8	161.9	68.2	-177.8	178.7	-171.9	0	108.7	V503 C514 D536 E538 W540	K501-V503 HydrophobicContact CD-CG1 3.99Å; K501-V503 HydrophobicContact CG-CG1 4Å; K501-C514 HydrophobicContact CD-CB 4.37Å; K501-C514 HydrophobicContact CG-CB 3.59Å; K501-C514 PolarHBondContact N-O 2.83Å; K501-C514 PolarHBondContact O-N 3.1Å; K501-D536 IonicContact NZ-OD2 2.65Å; K501-D536 PolarHBondContact NZ-OD2 2.85Å; K501-E538 IonicContact NZ-OE2 2.71Å; K501-E538 PolarHBondContact NZ-OE2 3.4Å; K501-E538 VanDerWaalsContact NZ-OE2 3.1Å; K501-W540 HydrophobicContact CB-CE3 4.38Å; K501-W540 HydrophobicContact CB-CH2 3.98Å; K501-W540 HydrophobicContact CB-CZ2 4.49Å; K501-W540 HydrophobicContact CB-CZ3 3.93Å; K501-W540 HydrophobicContact CD-CD2 3.66Å; K501-W540 HydrophobicContact CD-CE3 3.92Å; K501-W540 HydrophobicContact CD-CG 4.16Å; K501-W540 HydrophobicContact CD-CH2 4.2Å; K501-W540 HydrophobicContact CD-CZ2 3.92Å; K501-W540 HydrophobicContact CD-CZ3 4.21Å; K501-W540 VanDerWaalsContact CE-CD2 3.44Å; K501-W540 HydrophobicContact CG-CD2 3.97Å; K501-W540 HydrophobicContact CG-CE3 3.66Å; K501-W540 HydrophobicContact CG-CH2 4.05Å; K501-W540 HydrophobicContact CG-CZ2 4.3Å; K501-W540 HydrophobicContact CG-CZ3 3.73Å
502	L	96.8	Very high	91.9	Very high	24 Å²	24	55 Å²	55	13%	0.126	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	115.6	168.9	-63.8	-179.9	0	0	0	108.3	Q505 E512 I513 L549	L502-Q505 HydrophobicContact CB-CG 3.81Å; L502-Q505 PolarHBondContact O-NE2 2.88Å; L502-E512 WeakPolarHBondContact CA-O 3.18Å; L502-I513 HydrophobicContact CD2-CB 4.38Å; L502-I513 HydrophobicContact CD2-CG1 3.85Å; L502-L549 HydrophobicContact CD1-CB 4.33Å; L502-L549 HydrophobicContact CD1-CD1 4.27Å; L502-L549 HydrophobicContact CD1-CG 4.13Å; L502-L549 HydrophobicContact CG-CD1 4.23Å; L502-L549 HydrophobicContact CG-CG 4.48Å
503	V	95.3	Very high	92.1	Very high	31 Å²	31	55 Å²	55	19%	0.188	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	155.9	178.7	-56.6	0	0	0	0	111	K501 Q505 G511 E512 C514	K501-V503 HydrophobicContact CD-CG1 3.99Å; K501-V503 HydrophobicContact CG-CG1 4Å; V503-Q505 VanDerWaalsContact C-N 3.3Å; V503-Q505 PolarHBondContact O-N 3.15Å; V503-G511 CarbonylContact O-C 3.59Å; V503-G511 VanDerWaalsContact O-CA 3.29Å; V503-G511 WeakPolarHBondContact O-CA 3.28Å; V503-E512 HydrophobicContact CG2-CB 3.78Å; V503-E512 HydrophobicContact CG2-CG 4.41Å; V503-E512 PolarHBondContact N-O 2.65Å; V503-E512 PolarHBondContact O-N 3.06Å; V503-C514 VanDerWaalsContact CG2-SG 3.57Å
504	N	91.2	Very high	92.1	Very high	143 Å²	143	50.5 Å²	50.5	77%	0.765	29%	0.289	S	S	*	.	S	Bend	trans	52.2	45.2	178.9	-54.2	-37.4	0	0	0	113.4
505	Q	91.2	Very high	92.2	Very high	112 Å²	112	48 Å²	48	52%	0.523	27%	0.274	S	S	.	.			trans	-66.4	138	-179.2	-73.9	172	68.5	0	0	112.1	L502 V503 I510	L502-Q505 HydrophobicContact CB-CG 3.81Å; L502-Q505 PolarHBondContact O-NE2 2.88Å; V503-Q505 VanDerWaalsContact C-N 3.3Å; V503-Q505 PolarHBondContact O-N 3.15Å; Q505-I510 CarbonylContact C-O 3.53Å; Q505-I510 VanDerWaalsContact CA-O 3.29Å; Q505-I510 WeakPolarHBondContact CA-O 3.3Å
506	D	85.4	Confident	92.3	Very high	80 Å²	80	49.1 Å²	49.1	43%	0.428	28%	0.278	S	S	.	.			trans	-83.6	-173.9	171.1	67.8	17.5	0	0	0	112.8	D508 G509 I510	D506-D508 PolarHBondContact O-N 3.4Å; D506-D508 WeakPolarHBondContact OD1-CA 3.2Å; D506-D508 PolarHBondContact OD1-N 3.34Å; D506-G509 PolarHBondContact O-N 2.86Å; D506-G509 PolarHBondContact OD1-N 3.04Å; D506-G509 VanDerWaalsContact OD1-N 3.16Å; D506-I510 PolarHBondContact N-O 3.07Å; D506-I510 PolarHBondContact OD1-N 2.85Å
507	A	81.4	Confident	92.5	Very high	108 Å²	108	45.1 Å²	45.1	89%	0.893	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.2	-179.6	0	0	0	0	0	114
508	D	78.1	Confident	92.7	Very high	130 Å²	130	44.6 Å²	44.6	70%	0.695	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	4.6	178.4	-66.6	-44.4	0	0	0	112.1	D506 I510	D506-D508 PolarHBondContact O-N 3.4Å; D506-D508 WeakPolarHBondContact OD1-CA 3.2Å; D506-D508 PolarHBondContact OD1-N 3.34Å; D508-I510 VanDerWaalsContact C-N 3.31Å; D508-I510 HydrophobicContact CB-CD1 4.2Å; D508-I510 HydrophobicContact CB-CG1 4.26Å
509	G	86.8	Confident	92.8	Very high	24 Å²	24	44.1 Å²	44.1	25%	0.247	24%	0.242	C	C	.	.	S	Bend	trans	74.8	18.8	-178.7	0	0	0	0	0	113.8	D506 R548	D506-G509 PolarHBondContact O-N 2.86Å; D506-G509 PolarHBondContact OD1-N 3.04Å; D506-G509 VanDerWaalsContact OD1-N 3.16Å; G509-R548 WeakPolarHBondContact O-CB 3.29Å
510	I	88.4	Confident	92.9	Very high	36 Å²	36	39.2 Å²	39.2	19%	0.185	22%	0.223	C	C	.	.			trans	-89.7	122.7	176.3	-54.1	169.8	0	0	0	108.1	Q505 D506 D508 M546 G547 R548 T558	Q505-I510 CarbonylContact C-O 3.53Å; Q505-I510 VanDerWaalsContact CA-O 3.29Å; Q505-I510 WeakPolarHBondContact CA-O 3.3Å; D506-I510 PolarHBondContact N-O 3.07Å; D506-I510 PolarHBondContact OD1-N 2.85Å; D508-I510 VanDerWaalsContact C-N 3.31Å; D508-I510 HydrophobicContact CB-CD1 4.2Å; D508-I510 HydrophobicContact CB-CG1 4.26Å; I510-M546 HydrophobicContact CG2-CB 4.27Å; I510-M546 HydrophobicContact CG2-CE 4.23Å; I510-G547 WeakPolarHBondContact CA-O 3.41Å; I510-R548 HydrophobicContact CG1-CB 4.3Å; I510-T558 HydrophobicContact CD1-CG2 4.05Å; I510-T558 HydrophobicContact CG1-CG2 4.25Å; I510-T558 HydrophobicContact CG2-CG2 4.13Å; I510-T558 WeakPolarHBondContact CG2-OG1 3.44Å
511	G	91.6	Very high	93	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	174.8	177.9	0	0	0	0	0	112.2	V503 M546 G547	V503-G511 CarbonylContact O-C 3.59Å; V503-G511 VanDerWaalsContact O-CA 3.29Å; V503-G511 WeakPolarHBondContact O-CA 3.28Å; G511-M546 WeakPolarHBondContact O-CA 3.26Å; G511-G547 PolarHBondContact N-O 3Å; G511-G547 PolarHBondContact O-N 3.34Å; G511-G547 VanDerWaalsContact O-O 3.12Å
512	E	95.4	Very high	93.1	Very high	17 Å²	17	35.2 Å²	35.2	8%	0.079	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	131.9	170.5	178.7	-176.6	-156.6	0	0	109.4	L502 V503 C514 H542 G544 M546 L561	L502-E512 WeakPolarHBondContact CA-O 3.18Å; V503-E512 HydrophobicContact CG2-CB 3.78Å; V503-E512 HydrophobicContact CG2-CG 4.41Å; V503-E512 PolarHBondContact N-O 2.65Å; V503-E512 PolarHBondContact O-N 3.06Å; E512-C514 PolarHBondContact O-N 3.04Å; E512-H542 WeakPolarHBondContact OE1-CB 3.41Å; E512-H542 IonicContact OE1-CG 2.85Å; E512-H542 IonicContact OE1-ND1 3Å; E512-H542 IonicContact OE2-CE1 3.28Å; E512-H542 IonicContact OE2-CG 2.67Å; E512-H542 IonicContact OE2-ND1 2.71Å; E512-H542 PolarHBondContact OE2-ND1 3.1Å; E512-G544 WeakPolarHBondContact OE1-CA 3.25Å; E512-G544 PolarHBondContact OE1-N 3.17Å; E512-M546 HydrophobicContact CB-SD 3.98Å; E512-L561 HydrophobicContact CB-CD1 4.01Å; E512-L561 VanDerWaalsContact CD-CD1 3.49Å; E512-L561 HydrophobicContact CG-CD1 3.84Å
513	I	97.9	Very high	93.1	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	112.7	177.3	-55.5	160.1	0	0	0	108.6	Y469 V500 L502 L515 T543 D545 L555	Y469-I513 HydrophobicContact CE1-CD1 4.35Å; Y469-I513 HydrophobicContact CE1-CG2 4.27Å; V500-I513 HydrophobicContact CG2-CG2 4.07Å; L502-I513 HydrophobicContact CD2-CB 4.38Å; L502-I513 HydrophobicContact CD2-CG1 3.85Å; I513-L515 HydrophobicContact CG2-CD2 3.63Å; I513-L515 HydrophobicContact CG2-CG 4.41Å; I513-T543 HydrophobicContact CG2-CG2 4.47Å; I513-T543 WeakPolarHBondContact O-CB 3.22Å; I513-T543 WeakPolarHBondContact O-CG2 3.49Å; I513-T543 PolarHBondContact O-N 3.27Å; I513-T543 PolarHBondContact O-OG1 3.24Å; I513-D545 HydrophobicContact CD1-CB 4.19Å; I513-D545 PolarHBondContact N-O 2.7Å; I513-L555 HydrophobicContact CD1-CD1 3.91Å; I513-L555 HydrophobicContact CD1-CD2 4.19Å; I513-L555 HydrophobicContact CG1-CD1 4.17Å
514	C	98.3	Very high	93.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133	172	-62.1	0	0	0	0	110.3	V500 K501 V503 E512 W540 L541 H542	V500-C514 WeakPolarHBondContact CA-O 3.43Å; K501-C514 HydrophobicContact CD-CB 4.37Å; K501-C514 HydrophobicContact CG-CB 3.59Å; K501-C514 PolarHBondContact N-O 2.83Å; K501-C514 PolarHBondContact O-N 3.1Å; V503-C514 VanDerWaalsContact CG2-SG 3.57Å; E512-C514 PolarHBondContact O-N 3.04Å; C514-W540 HydrophobicContact CB-CB 4.37Å; C514-W540 HydrophobicContact CB-CE3 4.17Å; C514-L541 CarbonylContact C-O 3.54Å; C514-L541 VanDerWaalsContact CA-O 3.25Å; C514-L541 WeakPolarHBondContact CA-O 3.3Å; C514-H542 VanDerWaalsContact SG-CE1 3.55Å
515	L	98.3	Very high	93.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	144.1	-173.1	-54.4	-177.9	0	0	0	111.4	H478 F479 V500 I513 I520 W540 L541 T543	H478-L515 HydrophobicContact CB-CD1 3.99Å; F479-L515 HydrophobicContact CE2-CD2 4Å; V500-L515 HydrophobicContact CG2-CD2 4.37Å; I513-L515 HydrophobicContact CG2-CD2 3.63Å; I513-L515 HydrophobicContact CG2-CG 4.41Å; L515-I520 HydrophobicContact CB-CD1 3.78Å; L515-W540 WeakPolarHBondContact O-CA 3.12Å; L515-L541 HydrophobicContact CB-CB 4.39Å; L515-L541 HydrophobicContact CD1-CD2 4.49Å; L515-L541 PolarHBondContact N-O 3.3Å; L515-L541 PolarHBondContact O-N 3.38Å; L515-T543 HydrophobicContact CD1-CG2 3.57Å; L515-T543 HydrophobicContact CD2-CG2 4.45Å; L515-T543 HydrophobicContact CG-CG2 3.58Å
516	W	96.9	Very high	93.8	Very high	24 Å²	24	26.1 Å²	26.1	9%	0.091	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	139.6	176.3	-171.8	112.3	0	0	0	110.7	R88 E90 H478 R499 W540	R88-W516 HydrophobicContact CB-CH2 3.54Å; R88-W516 HydrophobicContact CB-CZ2 3.82Å; R88-W516 HydrophobicContact CB-CZ3 3.96Å; R88-W516 HydrophobicContact CG-CH2 4.11Å; R88-W516 HydrophobicContact CG-CZ2 3.84Å; E90-W516 HydrophobicContact CG-CH2 3.39Å; E90-W516 HydrophobicContact CG-CZ3 3.45Å; E90-W516 VanDerWaalsContact CG-CZ3 3.45Å; H478-W516 PolarHBondContact CE1-O 3.22Å; R499-W516 HydrophobicContact CB-CB 4.21Å; R499-W516 HydrophobicContact CB-CE3 4.43Å; R499-W516 HydrophobicContact CG-CE3 4.26Å; R499-W516 PolarHBondContact N-O 3.37Å; R499-W516 PolarHBondContact O-N 2.98Å; W516-W540 HydrophobicContact CB-CD2 3.64Å; W516-W540 HydrophobicContact CB-CE3 3.34Å; W516-W540 HydrophobicContact CB-CG 4.28Å; W516-W540 HydrophobicContact CB-CH2 4.08Å; W516-W540 HydrophobicContact CB-CZ2 4.35Å; W516-W540 HydrophobicContact CB-CZ3 3.56Å; W516-W540 AromaticContact CD1-CD1 3.99Å; W516-W540 AromaticContact CD1-CD2 3.92Å; W516-W540 AromaticContact CD1-CG 3.92Å; W516-W540 HydrophobicContact CG-CD2 4.13Å; W516-W540 HydrophobicContact CG-CE3 4.3Å
517	G	95.4	Very high	94.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	150.6	-179.9	178.9	0	0	0	0	0	112.9	R88 T519 I520	R88-G517 VanDerWaalsContact CD-O 3.25Å; R88-G517 WeakPolarHBondContact CD-O 3.38Å; G517-T519 PolarHBondContact O-N 2.88Å; G517-I520 WeakPolarHBondContact O-CG1 3.36Å; G517-I520 PolarHBondContact O-N 3.47Å
518	R	95.6	Very high	94.9	Very high	6 Å²	6	24.8 Å²	24.8	2%	0.023	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-6.5	177.5	-65.5	167.7	71.2	168.8	-4.1	114.3	R88 L89 C93 Q95 D292 N293 W296	R88-R518 WeakPolarHBondContact O-CG 3.38Å; L89-R518 HydrophobicContact CD2-CG 4.5Å; C93-R518 WeakPolarHBondContact SG-CD 3.41Å; Q95-R518 PolarHBondContact O-NH1 3.41Å; Q95-R518 PolarHBondContact O-NH2 2.95Å; D292-R518 IonicContact OD1-CZ 3.29Å; D292-R518 IonicContact OD1-NE 2.72Å; D292-R518 IonicContact OD1-NH2 2.73Å; D292-R518 PolarHBondContact OD1-NH2 2.87Å; D292-R518 IonicContact OD2-CZ 3.87Å; D292-R518 IonicContact OD2-NE 3.17Å; D292-R518 PolarHBondContact OD2-NE 2.89Å; D292-R518 IonicContact OD2-NH2 3.25Å; D292-R518 PolarHBondContact OD2-NH2 3.41Å; N293-R518 PolarHBondContact ND2-O 2.97Å; W296-R518 HydrophobicContact CB-CB 4.26Å; W296-R518 HydrophobicContact CD2-CB 4.09Å; W296-R518 VanDerWaalsContact CE3-NH1 3.28Å; W296-R518 HydrophobicContact CG-CB 3.75Å
519	T	95.8	Very high	95.6	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-21.1	171.2	48.9	0	0	0	0	113.3	S474 T475 H478 G517 F521	S474-T519 CarbonylContact C-O 3.57Å; S474-T519 VanDerWaalsContact CA-O 3.27Å; S474-T519 WeakPolarHBondContact CA-O 3.27Å; S474-T519 WeakPolarHBondContact O-CB 3.33Å; T475-T519 WeakPolarHBondContact CB-O 3.36Å; T475-T519 PolarHBondContact N-O 3.16Å; T475-T519 PolarHBondContact OG1-O 2.91Å; H478-T519 PolarHBondContact CE1-OG1 2.56Å; H478-T519 PolarHBondContact ND1-OG1 2.69Å; G517-T519 PolarHBondContact O-N 2.88Å; T519-F521 PolarHBondContact O-N 3.5Å
520	I	98	Very high	95.8	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.01	13%	0.133	C	C	.	.	S	Bend	trans	-74.5	129.4	-174.8	-54.3	-50.9	0	0	0	110.9	N293 L515 G517 L541	N293-I520 PolarHBondContact ND2-O 3.31Å; L515-I520 HydrophobicContact CB-CD1 3.78Å; G517-I520 WeakPolarHBondContact O-CG1 3.36Å; G517-I520 PolarHBondContact O-N 3.47Å; I520-L541 HydrophobicContact CD1-CB 3.83Å; I520-L541 HydrophobicContact CD1-CD2 3.85Å; I520-L541 HydrophobicContact CG1-CB 4.42Å; I520-L541 HydrophobicContact CG2-CB 4.01Å
521	F	98.4	Very high	96.1	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	12%	0.124	C	C	.	.			trans	-53.8	162.9	-179.6	77.8	-36.9	0	0	0	114.4	V287 M288 L289 E473 T519 G523 Y524 A534 I535 L541	V287-F521 HydrophobicContact CB-CD2 4.44Å; V287-F521 HydrophobicContact CG1-CB 3.91Å; V287-F521 HydrophobicContact CG1-CD2 3.62Å; V287-F521 HydrophobicContact CG1-CG 4.16Å; M288-F521 WeakPolarHBondContact O-CB 3.24Å; L289-F521 HydrophobicContact CD2-CB 3.82Å; E473-F521 HydrophobicContact CB-CD1 4.05Å; E473-F521 HydrophobicContact CB-CD2 4.31Å; E473-F521 HydrophobicContact CB-CE1 4.14Å; E473-F521 HydrophobicContact CB-CE2 4.37Å; E473-F521 HydrophobicContact CB-CG 4.14Å; E473-F521 HydrophobicContact CB-CZ 4.29Å; E473-F521 HydrophobicContact CG-CD2 4.07Å; E473-F521 HydrophobicContact CG-CE1 4.32Å; E473-F521 HydrophobicContact CG-CE2 3.82Å; E473-F521 HydrophobicContact CG-CG 4.42Å; E473-F521 HydrophobicContact CG-CZ 3.96Å; E473-F521 WeakPolarHBondContact O-CB 3.38Å; E473-F521 WeakPolarHBondContact O-CD1 3.42Å; E473-F521 PolarHBondContact O-N 2.87Å; T519-F521 PolarHBondContact O-N 3.5Å; F521-G523 VanDerWaalsContact C-N 3.32Å; F521-G523 WeakPolarHBondContact CD2-O 3.44Å; F521-G523 VanDerWaalsContact CE2-CA 3.46Å; F521-G523 WeakPolarHBondContact CE2-O 3.46Å; F521-Y524 AromaticContact CE2-CD1 3.86Å; F521-Y524 HydrophobicContact CE2-CD1 3.86Å; F521-Y524 AromaticContact CE2-CD2 3.91Å; F521-Y524 HydrophobicContact CE2-CD2 3.91Å; F521-Y524 AromaticContact CE2-CE1 3.9Å; F521-Y524 HydrophobicContact CE2-CE1 3.9Å; F521-Y524 AromaticContact CE2-CE2 3.96Å; F521-Y524 HydrophobicContact CE2-CE2 3.96Å; F521-Y524 AromaticContact CE2-CG 3.89Å; F521-Y524 HydrophobicContact CE2-CG 3.89Å; F521-Y524 AromaticContact CE2-CZ 3.97Å; F521-Y524 HydrophobicContact CZ-CD2 4.1Å; F521-Y524 AromaticContact CZ-CE2 3.92Å; F521-Y524 HydrophobicContact CZ-CE2 3.92Å; F521-A534 HydrophobicContact CZ-CB 4.26Å; F521-I535 HydrophobicContact CD1-CD1 4.18Å; F521-I535 HydrophobicContact CE1-CD1 3.61Å; F521-I535 HydrophobicContact CE1-CG1 3.77Å; F521-I535 HydrophobicContact CZ-CD1 4.32Å; F521-I535 HydrophobicContact CZ-CG1 4.45Å; F521-L541 HydrophobicContact CE1-CD1 3.86Å
522	M	98.3	Very high	96.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-71.4	-29.1	174.5	-60.4	177.1	70.8	0	0	112	W77 T78 V85 N269 C271 M288	W77-M522 CarbonylContact C-O 3.4Å; W77-M522 WeakPolarHBondContact CA-O 3.41Å; W77-M522 WeakPolarHBondContact CB-O 3.43Å; T78-M522 HydrophobicContact CG2-CB 4.39Å; T78-M522 HydrophobicContact CG2-CE 3.86Å; T78-M522 PolarHBondContact N-O 3.18Å; T78-M522 CarbonylContact O-C 3.45Å; V85-M522 HydrophobicContact CG1-CB 3.98Å; V85-M522 HydrophobicContact CG1-CE 4.03Å; V85-M522 HydrophobicContact CG1-CG 4.11Å; V85-M522 HydrophobicContact CG2-CE 4.33Å; V85-M522 HydrophobicContact CG2-CG 3.96Å; N269-M522 WeakPolarHBondContact O-CE 3.2Å; C271-M522 VanDerWaalsContact CA-SD 3.54Å; C271-M522 HydrophobicContact CB-CE 4.28Å; C271-M522 HydrophobicContact CB-SD 3.64Å; C271-M522 PolarHBondContact N-SD 3.3Å; C271-M522 VanDerWaalsContact N-SD 3.41Å; M288-M522 HydrophobicContact CB-CB 3.99Å; M288-M522 HydrophobicContact CE-CB 4.35Å; M288-M522 WeakPolarHBondContact O-CB 3.24Å; M288-M522 PolarHBondContact O-N 2.58Å
523	G	97.9	Very high	96.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.4	-178.9	-176	0	0	0	0	0	111.5	T78 M288 F521	T78-G523 WeakPolarHBondContact O-CA 3.43Å; M288-G523 WeakPolarHBondContact CB-O 3.37Å; M288-G523 PolarHBondContact N-O 2.82Å; F521-G523 VanDerWaalsContact C-N 3.32Å; F521-G523 WeakPolarHBondContact CD2-O 3.44Å; F521-G523 VanDerWaalsContact CE2-CA 3.46Å; F521-G523 WeakPolarHBondContact CE2-O 3.46Å
524	Y	97.7	Very high	95.9	Very high	16 Å²	16	33.2 Å²	33.2	6%	0.063	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	127.6	171.3	-63	-70.1	0	0	0	110	T79 K285 G286 V287 E473 F521 N526 M527 K530 T531 A534	T79-Y524 WeakPolarHBondContact CB-O 3.23Å; T79-Y524 VanDerWaalsContact CG2-O 3.3Å; T79-Y524 WeakPolarHBondContact CG2-O 3.35Å; K285-Y524 HydrophobicContact CB-CD1 3.59Å; K285-Y524 HydrophobicContact CB-CE1 3.88Å; K285-Y524 HydrophobicContact CB-CG 4.37Å; K285-Y524 HydrophobicContact CD-CD1 3.72Å; K285-Y524 HydrophobicContact CD-CD2 4.3Å; K285-Y524 HydrophobicContact CD-CE1 3.55Å; K285-Y524 HydrophobicContact CD-CE2 4.14Å; K285-Y524 HydrophobicContact CD-CG 4.09Å; K285-Y524 HydrophobicContact CG-CD1 4.34Å; K285-Y524 HydrophobicContact CG-CE1 4.42Å; G286-Y524 CarbonylContact O-C 3.42Å; G286-Y524 WeakPolarHBondContact O-CA 3.43Å; V287-Y524 HydrophobicContact CG2-CD1 4.08Å; V287-Y524 HydrophobicContact CG2-CE1 3.81Å; E473-Y524 HydrophobicContact CG-CE1 4.02Å; E473-Y524 WeakPolarHBondContact OE1-CE1 3.4Å; E473-Y524 PolarHBondContact OE1-OH 3.35Å; F521-Y524 AromaticContact CE2-CD1 3.86Å; F521-Y524 HydrophobicContact CE2-CD1 3.86Å; F521-Y524 AromaticContact CE2-CD2 3.91Å; F521-Y524 HydrophobicContact CE2-CD2 3.91Å; F521-Y524 AromaticContact CE2-CE1 3.9Å; F521-Y524 HydrophobicContact CE2-CE1 3.9Å; F521-Y524 AromaticContact CE2-CE2 3.96Å; F521-Y524 HydrophobicContact CE2-CE2 3.96Å; F521-Y524 AromaticContact CE2-CG 3.89Å; F521-Y524 HydrophobicContact CE2-CG 3.89Å; F521-Y524 AromaticContact CE2-CZ 3.97Å; F521-Y524 HydrophobicContact CZ-CD2 4.1Å; F521-Y524 AromaticContact CZ-CE2 3.92Å; F521-Y524 HydrophobicContact CZ-CE2 3.92Å; Y524-N526 PolarHBondContact O-N 3.12Å; Y524-M527 PolarHBondContact O-N 3.13Å; Y524-K530 HydrophobicContact CD2-CB 3.86Å; Y524-K530 VanDerWaalsContact CD2-O 3.3Å; Y524-K530 WeakPolarHBondContact CD2-O 3.45Å; Y524-K530 HydrophobicContact CE2-CB 4.29Å; Y524-K530 WeakPolarHBondContact CE2-O 3.32Å; Y524-T531 PolarHBondContact N-OG1 2.84Å; Y524-A534 HydrophobicContact CE2-CB 3.99Å
525	L	97.8	Very high	95.9	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	130	175.5	-179.1	64	0	0	0	110.2	A81 D197 L274 G286 M288 M527	A81-L525 HydrophobicContact CB-CD1 3.83Å; D197-L525 WeakPolarHBondContact O-CD2 3.43Å; L274-L525 HydrophobicContact CD1-CD2 3.86Å; L274-L525 HydrophobicContact CD2-CB 4.05Å; L274-L525 HydrophobicContact CD2-CD2 4Å; G286-L525 PolarHBondContact O-N 2.59Å; M288-L525 HydrophobicContact CG-CB 3.99Å; M288-L525 HydrophobicContact SD-CB 4.14Å; M288-L525 HydrophobicContact SD-CD1 3.78Å; L525-M527 WeakPolarHBondContact O-CG 3.33Å; L525-M527 PolarHBondContact O-N 2.81Å
526	N	95.9	Very high	95.7	Very high	100 Å²	100	35.1 Å²	35.1	54%	0.535	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	11.3	177.5	-54.1	-33.9	0	0	0	115.7	T79 D197 Y524	T79-N526 PolarHBondContact O-N 3.37Å; D197-N526 PolarHBondContact O-ND2 2.88Å; D197-N526 PolarHBondContact OD1-ND2 3.05Å; Y524-N526 PolarHBondContact O-N 3.12Å
527	M	94.8	Very high	95.5	Very high	45 Å²	45	40.2 Å²	40.2	22%	0.222	22%	0.218	C	C	.	.			trans	-129.4	78.9	-172.8	-63.7	-176.2	-170.4	0	0	112.6	Y193 K285 Y524 L525 K530 T531	Y193-M527 WeakPolarHBondContact OH-CE 3.25Å; K285-M527 HydrophobicContact CB-SD 4.27Å; K285-M527 HydrophobicContact CD-SD 4.35Å; K285-M527 HydrophobicContact CG-CE 4.48Å; K285-M527 HydrophobicContact CG-SD 3.88Å; Y524-M527 PolarHBondContact O-N 3.13Å; L525-M527 WeakPolarHBondContact O-CG 3.33Å; L525-M527 PolarHBondContact O-N 2.81Å; M527-K530 HydrophobicContact CB-CB 4.05Å; M527-K530 HydrophobicContact CB-CG 4.33Å; M527-K530 PolarHBondContact O-N 2.73Å; M527-K530 HydrophobicContact SD-CG 4.44Å; M527-T531 PolarHBondContact O-N 3.21Å; M527-T531 VanDerWaalsContact O-N 3.11Å; M527-T531 PolarHBondContact O-OG1 3.44Å
528	E	95.7	Very high	95.4	Very high	114 Å²	114	46 Å²	46	53%	0.533	25%	0.245	S	C	.	.	H	α-helix	trans	-64.1	-50.1	-177.1	-170.9	165.5	-178.9	0	0	112.6	W77 T79 K530 T531 C532	W77-E528 HydrophobicContact CH2-CG 3.87Å; W77-E528 HydrophobicContact CZ3-CG 4.03Å; T79-E528 HydrophobicContact CG2-CB 4.12Å; E528-K530 PolarHBondContact O-N 2.56Å; E528-T531 WeakPolarHBondContact O-CA 3.36Å; E528-T531 WeakPolarHBondContact O-CB 3.49Å; E528-T531 PolarHBondContact O-N 2.95Å; E528-C532 PolarHBondContact O-N 2.68Å; E528-C532 PolarHBondContact O-SG 3.32Å; E528-C532 VanDerWaalsContact O-SG 3.41Å
529	D	93.1	Very high	95.3	Very high	128 Å²	128	45.8 Å²	45.8	68%	0.684	25%	0.245	S	C	*	.	H	α-helix	trans	-52.9	-43.9	176.7	-56.3	-29.1	0	0	0	111.9	T531 C532 E533	D529-T531 VanDerWaalsContact C-N 3.29Å; D529-T531 PolarHBondContact O-N 2.83Å; D529-C532 PolarHBondContact O-N 2.79Å; D529-E533 WeakPolarHBondContact O-CB 3.24Å; D529-E533 WeakPolarHBondContact O-CG 3.46Å; D529-E533 PolarHBondContact O-N 2.6Å
530	K	89.8	Confident	95.4	Very high	77 Å²	77	46.5 Å²	46.5	34%	0.335	25%	0.247	S	C	.	.	H	α-helix	trans	-73.3	-22.2	-179.7	-60.7	-46.4	-174.4	-171.8	0	113.3	Y524 M527 E528 E533 A534	Y524-K530 HydrophobicContact CD2-CB 3.86Å; Y524-K530 VanDerWaalsContact CD2-O 3.3Å; Y524-K530 WeakPolarHBondContact CD2-O 3.45Å; Y524-K530 HydrophobicContact CE2-CB 4.29Å; Y524-K530 WeakPolarHBondContact CE2-O 3.32Å; M527-K530 HydrophobicContact CB-CB 4.05Å; M527-K530 HydrophobicContact CB-CG 4.33Å; M527-K530 PolarHBondContact O-N 2.73Å; M527-K530 HydrophobicContact SD-CG 4.44Å; E528-K530 PolarHBondContact O-N 2.56Å; K530-E533 WeakPolarHBondContact CD-OE2 3.29Å; K530-E533 IonicContact NZ-OE1 2.68Å; K530-E533 PolarHBondContact NZ-OE1 3.45Å; K530-E533 IonicContact NZ-OE2 2.71Å; K530-E533 PolarHBondContact NZ-OE2 3.17Å; K530-A534 WeakPolarHBondContact O-CB 3.34Å
531	T	95.5	Very high	95.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-78.5	-41.8	173.7	-56	0	0	0	0	110.1	W77 T79 Y524 M527 E528 D529 E533 A534 I535	W77-T531 HydrophobicContact CB-CG2 4.06Å; W77-T531 HydrophobicContact CD2-CG2 3.75Å; W77-T531 HydrophobicContact CE3-CG2 3.58Å; W77-T531 HydrophobicContact CG-CG2 3.98Å; W77-T531 HydrophobicContact CZ3-CG2 4.31Å; T79-T531 HydrophobicContact CG2-CG2 4.48Å; T79-T531 WeakPolarHBondContact CG2-OG1 3.25Å; Y524-T531 PolarHBondContact N-OG1 2.84Å; M527-T531 PolarHBondContact O-N 3.21Å; M527-T531 VanDerWaalsContact O-N 3.11Å; M527-T531 PolarHBondContact O-OG1 3.44Å; E528-T531 WeakPolarHBondContact O-CA 3.36Å; E528-T531 WeakPolarHBondContact O-CB 3.49Å; E528-T531 PolarHBondContact O-N 2.95Å; D529-T531 VanDerWaalsContact C-N 3.29Å; D529-T531 PolarHBondContact O-N 2.83Å; T531-E533 VanDerWaalsContact C-N 3.35Å; T531-E533 PolarHBondContact O-N 3.18Å; T531-A534 PolarHBondContact O-N 3.33Å; T531-A534 VanDerWaalsContact O-N 3.08Å; T531-I535 HydrophobicContact CG2-CD1 4.05Å; T531-I535 PolarHBondContact O-N 3.31Å
532	C	94.9	Very high	95.4	Very high	67 Å²	67	49.1 Å²	49.1	45%	0.453	26%	0.259	S	S	.	.	H	α-helix	trans	-66.9	-31.4	173.2	-61.1	0	0	0	0	113.2	W77 E528 D529 A534	W77-C532 VanDerWaalsContact CZ2-SG 3.58Å; E528-C532 PolarHBondContact O-N 2.68Å; E528-C532 PolarHBondContact O-SG 3.32Å; E528-C532 VanDerWaalsContact O-SG 3.41Å; D529-C532 PolarHBondContact O-N 2.79Å; C532-A534 PolarHBondContact O-N 3.09Å
533	E	92.3	Very high	95.2	Very high	103 Å²	103	49.6 Å²	49.6	48%	0.481	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.7	169.7	-82.4	174.2	-153	0	0	113.3	D529 K530 T531	D529-E533 WeakPolarHBondContact O-CB 3.24Å; D529-E533 WeakPolarHBondContact O-CG 3.46Å; D529-E533 PolarHBondContact O-N 2.6Å; K530-E533 WeakPolarHBondContact CD-OE2 3.29Å; K530-E533 IonicContact NZ-OE1 2.68Å; K530-E533 PolarHBondContact NZ-OE1 3.45Å; K530-E533 IonicContact NZ-OE2 2.71Å; K530-E533 PolarHBondContact NZ-OE2 3.17Å; T531-E533 VanDerWaalsContact C-N 3.35Å; T531-E533 PolarHBondContact O-N 3.18Å
534	A	94.6	Very high	94.8	Very high	9 Å²	9	50.3 Å²	50.3	7%	0.074	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-28.5	-171.9	0	0	0	0	0	113.6	F521 Y524 K530 T531 C532 L541 H542	F521-A534 HydrophobicContact CZ-CB 4.26Å; Y524-A534 HydrophobicContact CE2-CB 3.99Å; K530-A534 WeakPolarHBondContact O-CB 3.34Å; T531-A534 PolarHBondContact O-N 3.33Å; T531-A534 VanDerWaalsContact O-N 3.08Å; C532-A534 PolarHBondContact O-N 3.09Å; A534-L541 HydrophobicContact CB-CD1 4.24Å; A534-L541 CarbonylContact O-C 3.25Å; A534-L541 WeakPolarHBondContact O-CA 3.44Å; A534-H542 PolarHBondContact O-N 3.31Å
535	I	96.8	Very high	94.5	Very high	7 Å²	7	50.3 Å²	50.3	4%	0.036	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-116.7	119.9	-178.1	-55	176.6	0	0	0	109.5	W77 F521 T531 W540	W77-I535 HydrophobicContact CB-CD1 3.6Å; W77-I535 HydrophobicContact CG-CD1 4.08Å; F521-I535 HydrophobicContact CD1-CD1 4.18Å; F521-I535 HydrophobicContact CE1-CD1 3.61Å; F521-I535 HydrophobicContact CE1-CG1 3.77Å; F521-I535 HydrophobicContact CZ-CD1 4.32Å; F521-I535 HydrophobicContact CZ-CG1 4.45Å; T531-I535 HydrophobicContact CG2-CD1 4.05Å; T531-I535 PolarHBondContact O-N 3.31Å; I535-W540 VanDerWaalsContact CA-O 3.31Å; I535-W540 WeakPolarHBondContact CA-O 3.36Å
536	D	95.4	Very high	94.1	Very high	33 Å²	33	51.2 Å²	51.2	18%	0.176	28%	0.275	C	S	.	.			trans	-70.7	170.7	176	76.1	9.7	0	0	0	112.7	K501 E538 G539 W540 H542	K501-D536 IonicContact NZ-OD2 2.65Å; K501-D536 PolarHBondContact NZ-OD2 2.85Å; D536-E538 PolarHBondContact O-N 3.16Å; D536-E538 WeakPolarHBondContact OD1-CA 3.27Å; D536-E538 WeakPolarHBondContact OD1-CB 3.45Å; D536-E538 PolarHBondContact OD1-N 3.21Å; D536-G539 PolarHBondContact O-N 2.88Å; D536-G539 PolarHBondContact OD1-N 3.19Å; D536-W540 PolarHBondContact N-O 3.43Å; D536-W540 PolarHBondContact OD1-N 2.89Å; D536-H542 IonicContact OD2-NE2 3.81Å
537	S	92.5	Very high	93.9	Very high	131 Å²	131	46.4 Å²	46.4	92%	0.916	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.9	179.4	53	0	0	0	0	114.2
538	E	92.7	Very high	93.9	Very high	121 Å²	121	48.6 Å²	48.6	57%	0.565	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-6.9	173	-64.9	-173.7	140.5	0	0	112.4	K501 D536 W540	K501-E538 IonicContact NZ-OE2 2.71Å; K501-E538 PolarHBondContact NZ-OE2 3.4Å; K501-E538 VanDerWaalsContact NZ-OE2 3.1Å; D536-E538 PolarHBondContact O-N 3.16Å; D536-E538 WeakPolarHBondContact OD1-CA 3.27Å; D536-E538 WeakPolarHBondContact OD1-CB 3.45Å; D536-E538 PolarHBondContact OD1-N 3.21Å; E538-W540 PolarHBondContact OE2-NE1 3.45Å
539	G	94.1	Very high	93.9	Very high	2 Å²	2	46 Å²	46	2%	0.021	24%	0.244	C	C	.	.			trans	88.7	14.1	178	0	0	0	0	0	115.7	R88 D536	R88-G539 PolarHBondContact NE-O 3.35Å; R88-G539 PolarHBondContact NH2-O 2.9Å; D536-G539 PolarHBondContact O-N 2.88Å; D536-G539 PolarHBondContact OD1-N 3.19Å
540	W	97.6	Very high	94	Very high	17 Å²	17	41.4 Å²	41.4	6%	0.064	22%	0.22	C	C	.	.			trans	-79.5	137.6	173.1	-62.1	79.1	0	0	0	111.4	R499 V500 K501 C514 L515 W516 I535 D536 E538	R499-W540 HydrophobicContact CB-CH2 3.91Å; R499-W540 HydrophobicContact CB-CZ3 4.11Å; V500-W540 VanDerWaalsContact C-CZ3 3.5Å; K501-W540 HydrophobicContact CB-CE3 4.38Å; K501-W540 HydrophobicContact CB-CH2 3.98Å; K501-W540 HydrophobicContact CB-CZ2 4.49Å; K501-W540 HydrophobicContact CB-CZ3 3.93Å; K501-W540 HydrophobicContact CD-CD2 3.66Å; K501-W540 HydrophobicContact CD-CE3 3.92Å; K501-W540 HydrophobicContact CD-CG 4.16Å; K501-W540 HydrophobicContact CD-CH2 4.2Å; K501-W540 HydrophobicContact CD-CZ2 3.92Å; K501-W540 HydrophobicContact CD-CZ3 4.21Å; K501-W540 VanDerWaalsContact CE-CD2 3.44Å; K501-W540 HydrophobicContact CG-CD2 3.97Å; K501-W540 HydrophobicContact CG-CE3 3.66Å; K501-W540 HydrophobicContact CG-CH2 4.05Å; K501-W540 HydrophobicContact CG-CZ2 4.3Å; K501-W540 HydrophobicContact CG-CZ3 3.73Å; C514-W540 HydrophobicContact CB-CB 4.37Å; C514-W540 HydrophobicContact CB-CE3 4.17Å; L515-W540 WeakPolarHBondContact O-CA 3.12Å; W516-W540 HydrophobicContact CB-CD2 3.64Å; W516-W540 HydrophobicContact CB-CE3 3.34Å; W516-W540 HydrophobicContact CB-CG 4.28Å; W516-W540 HydrophobicContact CB-CH2 4.08Å; W516-W540 HydrophobicContact CB-CZ2 4.35Å; W516-W540 HydrophobicContact CB-CZ3 3.56Å; W516-W540 AromaticContact CD1-CD1 3.99Å; W516-W540 AromaticContact CD1-CD2 3.92Å; W516-W540 AromaticContact CD1-CG 3.92Å; W516-W540 HydrophobicContact CG-CD2 4.13Å; W516-W540 HydrophobicContact CG-CE3 4.3Å; I535-W540 VanDerWaalsContact CA-O 3.31Å; I535-W540 WeakPolarHBondContact CA-O 3.36Å; D536-W540 PolarHBondContact N-O 3.43Å; D536-W540 PolarHBondContact OD1-N 2.89Å; E538-W540 PolarHBondContact OE2-NE1 3.45Å
541	L	98.3	Very high	94.2	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	119.2	169.3	174.2	67.2	0	0	0	110	L471 E473 C514 L515 I520 F521 A534	L471-L541 HydrophobicContact CD1-CD2 4.49Å; E473-L541 HydrophobicContact CB-CD1 3.92Å; E473-L541 HydrophobicContact CB-CD2 3.7Å; E473-L541 HydrophobicContact CB-CG 4.49Å; C514-L541 CarbonylContact C-O 3.54Å; C514-L541 VanDerWaalsContact CA-O 3.25Å; C514-L541 WeakPolarHBondContact CA-O 3.3Å; L515-L541 HydrophobicContact CB-CB 4.39Å; L515-L541 HydrophobicContact CD1-CD2 4.49Å; L515-L541 PolarHBondContact N-O 3.3Å; L515-L541 PolarHBondContact O-N 3.38Å; I520-L541 HydrophobicContact CD1-CB 3.83Å; I520-L541 HydrophobicContact CD1-CD2 3.85Å; I520-L541 HydrophobicContact CG1-CB 4.42Å; I520-L541 HydrophobicContact CG2-CB 4.01Å; F521-L541 HydrophobicContact CE1-CD1 3.86Å; A534-L541 HydrophobicContact CB-CD1 4.24Å; A534-L541 CarbonylContact O-C 3.25Å; A534-L541 WeakPolarHBondContact O-CA 3.44Å
542	H	97.3	Very high	94.2	Very high	55 Å²	55	46.8 Å²	46.8	26%	0.255	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	114.4	164.3	-76.7	-99	0	0	0	109.2	E512 C514 A534 D536 G544	E512-H542 WeakPolarHBondContact OE1-CB 3.41Å; E512-H542 IonicContact OE1-CG 2.85Å; E512-H542 IonicContact OE1-ND1 3Å; E512-H542 IonicContact OE2-CE1 3.28Å; E512-H542 IonicContact OE2-CG 2.67Å; E512-H542 IonicContact OE2-ND1 2.71Å; E512-H542 PolarHBondContact OE2-ND1 3.1Å; C514-H542 VanDerWaalsContact SG-CE1 3.55Å; A534-H542 PolarHBondContact O-N 3.31Å; D536-H542 IonicContact OD2-NE2 3.81Å; H542-G544 VanDerWaalsContact C-N 3.32Å
543	T	94.7	Very high	94.2	Very high	10 Å²	10	45 Å²	45	6%	0.061	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	-24.1	-177.2	59.6	0	0	0	0	112.7	L471 I513 L515 D545	L471-T543 HydrophobicContact CD1-CG2 3.83Å; I513-T543 HydrophobicContact CG2-CG2 4.47Å; I513-T543 WeakPolarHBondContact O-CB 3.22Å; I513-T543 WeakPolarHBondContact O-CG2 3.49Å; I513-T543 PolarHBondContact O-N 3.27Å; I513-T543 PolarHBondContact O-OG1 3.24Å; L515-T543 HydrophobicContact CD1-CG2 3.57Å; L515-T543 HydrophobicContact CD2-CG2 4.45Å; L515-T543 HydrophobicContact CG-CG2 3.58Å; T543-D545 PolarHBondContact O-N 3.33Å; T543-D545 PolarHBondContact OG1-N 3.12Å; T543-D545 PolarHBondContact OG1-O 3.33Å
544	G	90.6	Very high	94.4	Very high	15 Å²	15	40.6 Å²	40.6	16%	0.155	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.2	1.8	-162.7	0	0	0	0	0	114.1	E512 H542 R560 L561	E512-G544 WeakPolarHBondContact OE1-CA 3.25Å; E512-G544 PolarHBondContact OE1-N 3.17Å; H542-G544 VanDerWaalsContact C-N 3.32Å; G544-R560 CarbonylContact O-C 3.51Å; G544-R560 WeakPolarHBondContact O-CA 3.13Å; G544-R560 WeakPolarHBondContact O-CG 3.29Å; G544-L561 WeakPolarHBondContact O-CB 3.43Å; G544-L561 PolarHBondContact O-N 2.74Å
545	D	91.4	Very high	94.4	Very high	17 Å²	17	40.1 Å²	40.1	9%	0.091	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	142.5	179	-59.2	-31	0	0	0	110.6	Y469 I513 T543 R560	Y469-D545 WeakPolarHBondContact CE2-OD2 3.42Å; Y469-D545 WeakPolarHBondContact OH-CB 3.35Å; Y469-D545 PolarHBondContact OH-OD2 3.07Å; I513-D545 HydrophobicContact CD1-CB 4.19Å; I513-D545 PolarHBondContact N-O 2.7Å; T543-D545 PolarHBondContact O-N 3.33Å; T543-D545 PolarHBondContact OG1-N 3.12Å; T543-D545 PolarHBondContact OG1-O 3.33Å; D545-R560 WeakPolarHBondContact OD1-CG 3.4Å; D545-R560 IonicContact OD1-NE 2.68Å; D545-R560 PolarHBondContact OD1-NE 2.9Å
546	M	89.1	Confident	94.2	Very high	22 Å²	22	41.6 Å²	41.6	11%	0.108	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	143.1	178.6	-63.5	-60.3	-72.6	0	0	110.7	I510 G511 E512 T558 G559 L561 L564	I510-M546 HydrophobicContact CG2-CB 4.27Å; I510-M546 HydrophobicContact CG2-CE 4.23Å; G511-M546 WeakPolarHBondContact O-CA 3.26Å; E512-M546 HydrophobicContact CB-SD 3.98Å; M546-T558 VanDerWaalsContact C-OG1 3.26Å; M546-T558 WeakPolarHBondContact CB-OG1 3.33Å; M546-T558 PolarHBondContact O-N 3.42Å; M546-T558 PolarHBondContact O-OG1 3.48Å; M546-G559 PolarHBondContact N-O 2.94Å; M546-G559 PolarHBondContact O-N 3.02Å; M546-L561 HydrophobicContact CE-CD2 4.37Å; M546-L561 HydrophobicContact CG-CD2 4.08Å; M546-L561 HydrophobicContact CG-CG 4.12Å; M546-L561 HydrophobicContact SD-CD1 4.37Å; M546-L561 HydrophobicContact SD-CD2 3.36Å; M546-L561 WeakPolarHBondContact SD-CD2 3.33Å; M546-L561 HydrophobicContact SD-CG 3.59Å; M546-L561 VanDerWaalsContact SD-CG 3.59Å; M546-L564 HydrophobicContact CG-CD1 4.35Å
547	G	91.9	Very high	93.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	177	175.2	0	0	0	0	0	113.9	I510 G511 Y556 T558	I510-G547 WeakPolarHBondContact CA-O 3.41Å; G511-G547 PolarHBondContact N-O 3Å; G511-G547 PolarHBondContact O-N 3.34Å; G511-G547 VanDerWaalsContact O-O 3.12Å; G547-Y556 CarbonylContact C-O 3.59Å; G547-Y556 WeakPolarHBondContact CA-O 3.34Å; G547-T558 PolarHBondContact N-OG1 3.43Å
548	R	94.1	Very high	93.3	Very high	91 Å²	91	38.5 Å²	38.5	34%	0.343	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	150.8	173.7	63	174	-174.2	71.3	7.6	110.8	G509 I510 Y556	G509-R548 WeakPolarHBondContact O-CB 3.29Å; I510-R548 HydrophobicContact CG1-CB 4.3Å; R548-Y556 PolarHBondContact N-O 2.88Å; R548-Y556 PolarHBondContact O-N 2.9Å
549	L	96.3	Very high	92.6	Very high	58 Å²	58	33.3 Å²	33.3	30%	0.304	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	140.6	169.6	-68.4	165.3	0	0	0	108.4	F479 V500 L502 F554 L555	F479-L549 HydrophobicContact CE1-CD2 3.92Å; F479-L549 HydrophobicContact CZ-CD2 4.18Å; V500-L549 HydrophobicContact CG1-CD1 3.86Å; V500-L549 HydrophobicContact CG2-CD1 4.41Å; L502-L549 HydrophobicContact CD1-CB 4.33Å; L502-L549 HydrophobicContact CD1-CD1 4.27Å; L502-L549 HydrophobicContact CD1-CG 4.13Å; L502-L549 HydrophobicContact CG-CD1 4.23Å; L502-L549 HydrophobicContact CG-CG 4.48Å; L549-F554 WeakPolarHBondContact CA-O 3.47Å; L549-L555 HydrophobicContact CD2-CB 4.07Å; L549-L555 HydrophobicContact CD2-CD1 4.11Å
550	D	94.7	Very high	91.8	Very high	33 Å²	33	37.5 Å²	37.5	18%	0.176	21%	0.211	C	C	.	.			trans	-88.4	174.9	167.5	68.9	20.5	0	0	0	112.2	R487 D552 G553 F554 Y556	R487-D550 IonicContact CZ-OD2 3.27Å; R487-D550 IonicContact NH1-OD1 3.43Å; R487-D550 IonicContact NH1-OD2 2.82Å; R487-D550 PolarHBondContact NH1-OD2 3.33Å; D550-D552 PolarHBondContact O-N 3.42Å; D550-D552 VanDerWaalsContact O-N 3.09Å; D550-D552 WeakPolarHBondContact OD1-CA 3.2Å; D550-D552 WeakPolarHBondContact OD1-CB 3.49Å; D550-D552 PolarHBondContact OD1-N 2.9Å; D550-G553 PolarHBondContact O-N 3.01Å; D550-G553 PolarHBondContact OD1-N 3.42Å; D550-G553 VanDerWaalsContact OD1-N 3.14Å; D550-F554 PolarHBondContact N-O 3.29Å; D550-F554 VanDerWaalsContact N-O 3.1Å; D550-F554 WeakPolarHBondContact OD1-CB 3.26Å; D550-F554 PolarHBondContact OD1-N 2.9Å; D550-F554 WeakPolarHBondContact OD2-CB 3.39Å; D550-Y556 HydrophobicContact CB-CE2 4.35Å
551	A	94.1	Very high	90.5	Very high	113 Å²	113	40 Å²	40	93%	0.934	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.3	179.9	0	0	0	0	0	113.8
552	D	94	Very high	89	Confident	76 Å²	76	47.3 Å²	47.3	41%	0.406	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	4.7	176.8	-74.1	-57.3	0	0	0	112.2	R487 R493 D550 F554	R487-D552 IonicContact CZ-OD2 3.88Å; R487-D552 VanDerWaalsContact CZ-OD2 3.25Å; R487-D552 IonicContact NH1-OD2 3.99Å; R487-D552 PolarHBondContact NH1-OD2 2.77Å; R487-D552 IonicContact NH2-OD2 2.97Å; R487-D552 PolarHBondContact NH2-OD2 2.86Å; R493-D552 PolarHBondContact NE-O 3.34Å; R493-D552 PolarHBondContact NH2-O 3.19Å; R493-D552 IonicContact NH2-OD1 3.73Å; D550-D552 PolarHBondContact O-N 3.42Å; D550-D552 VanDerWaalsContact O-N 3.09Å; D550-D552 WeakPolarHBondContact OD1-CA 3.2Å; D550-D552 WeakPolarHBondContact OD1-CB 3.49Å; D550-D552 PolarHBondContact OD1-N 2.9Å; D552-F554 VanDerWaalsContact C-N 3.32Å; D552-F554 HydrophobicContact CB-CD2 3.62Å; D552-F554 HydrophobicContact CB-CE2 3.95Å; D552-F554 PolarHBondContact O-N 2.92Å
553	G	95	Very high	87.7	Confident	31 Å²	31	46.8 Å²	46.8	32%	0.32	25%	0.254	S	S	.	.			trans	73.5	17.4	179.4	0	0	0	0	0	114.9	D550	D550-G553 PolarHBondContact O-N 3.01Å; D550-G553 PolarHBondContact OD1-N 3.42Å; D550-G553 VanDerWaalsContact OD1-N 3.14Å
554	F	96.7	Very high	86.5	Confident	9 Å²	9	47.8 Å²	47.8	4%	0.039	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-82.2	134.4	173.8	-76.4	-88.8	0	0	0	111.3	N485 R487 S490 G492 R493 L549 D550 D552 Y556	N485-F554 HydrophobicContact CB-CE1 4.5Å; N485-F554 HydrophobicContact CB-CZ 4.35Å; N485-F554 VanDerWaalsContact O-CE1 3.27Å; N485-F554 WeakPolarHBondContact O-CE1 3.33Å; R487-F554 HydrophobicContact CB-CD1 3.79Å; R487-F554 HydrophobicContact CB-CD2 4.47Å; R487-F554 HydrophobicContact CB-CE1 3.64Å; R487-F554 HydrophobicContact CB-CE2 4.37Å; R487-F554 HydrophobicContact CB-CG 4.2Å; R487-F554 HydrophobicContact CB-CZ 3.96Å; S490-F554 WeakPolarHBondContact OG-CB 3.41Å; S490-F554 WeakPolarHBondContact OG-CD1 3.4Å; G492-F554 WeakPolarHBondContact O-CA 3.46Å; R493-F554 HydrophobicContact CG-CD1 4.05Å; R493-F554 HydrophobicContact CG-CD2 4.33Å; R493-F554 HydrophobicContact CG-CE1 4.1Å; R493-F554 HydrophobicContact CG-CE2 4.37Å; R493-F554 HydrophobicContact CG-CG 4.19Å; R493-F554 HydrophobicContact CG-CZ 4.26Å; L549-F554 WeakPolarHBondContact CA-O 3.47Å; D550-F554 PolarHBondContact N-O 3.29Å; D550-F554 VanDerWaalsContact N-O 3.1Å; D550-F554 WeakPolarHBondContact OD1-CB 3.26Å; D550-F554 PolarHBondContact OD1-N 2.9Å; D550-F554 WeakPolarHBondContact OD2-CB 3.39Å; D552-F554 VanDerWaalsContact C-N 3.32Å; D552-F554 HydrophobicContact CB-CD2 3.62Å; D552-F554 HydrophobicContact CB-CE2 3.95Å; D552-F554 PolarHBondContact O-N 2.92Å; F554-Y556 HydrophobicContact CB-CE2 4.23Å
555	L	96.1	Very high	85.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	139.1	178.5	-179	65.8	0	0	0	111.9	Y469 F479 S490 S491 G492 I513 L549 I557	Y469-L555 HydrophobicContact CD1-CD2 3.45Å; Y469-L555 VanDerWaalsContact CD1-CD2 3.45Å; Y469-L555 HydrophobicContact CE1-CD2 3.86Å; Y469-L555 HydrophobicContact CG-CD2 4.16Å; F479-L555 HydrophobicContact CB-CD2 4.49Å; F479-L555 HydrophobicContact CD1-CB 3.6Å; F479-L555 HydrophobicContact CD1-CD2 3.98Å; F479-L555 HydrophobicContact CD1-CG 4.43Å; F479-L555 HydrophobicContact CD2-CD2 3.79Å; F479-L555 HydrophobicContact CE1-CB 3.59Å; F479-L555 HydrophobicContact CE1-CD2 4.11Å; F479-L555 HydrophobicContact CE1-CG 4.35Å; F479-L555 HydrophobicContact CE2-CD2 3.89Å; F479-L555 HydrophobicContact CG-CB 4.28Å; F479-L555 HydrophobicContact CG-CD2 3.83Å; F479-L555 HydrophobicContact CZ-CB 4.22Å; F479-L555 HydrophobicContact CZ-CD2 4.04Å; S490-L555 WeakPolarHBondContact CA-O 3.39Å; S490-L555 WeakPolarHBondContact CB-O 3.32Å; S490-L555 PolarHBondContact OG-O 2.93Å; S491-L555 PolarHBondContact N-O 3.08Å; G492-L555 PolarHBondContact O-N 3.37Å; I513-L555 HydrophobicContact CD1-CD1 3.91Å; I513-L555 HydrophobicContact CD1-CD2 4.19Å; I513-L555 HydrophobicContact CG1-CD1 4.17Å; L549-L555 HydrophobicContact CD2-CB 4.07Å; L549-L555 HydrophobicContact CD2-CD1 4.11Å; L555-I557 HydrophobicContact CD2-CG1 4.32Å; L555-I557 HydrophobicContact CG-CG1 4.45Å
556	Y	91.7	Very high	84.9	Confident	37 Å²	37	50.6 Å²	50.6	15%	0.145	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	113.1	168.4	-65.9	-88.1	0	0	0	109.3	R487 G547 R548 D550 F554	R487-Y556 WeakPolarHBondContact CD-OH 3.25Å; R487-Y556 WeakPolarHBondContact CG-OH 3.26Å; G547-Y556 CarbonylContact C-O 3.59Å; G547-Y556 WeakPolarHBondContact CA-O 3.34Å; R548-Y556 PolarHBondContact N-O 2.88Å; R548-Y556 PolarHBondContact O-N 2.9Å; D550-Y556 HydrophobicContact CB-CE2 4.35Å; F554-Y556 HydrophobicContact CB-CE2 4.23Å
557	I	88.1	Confident	84.1	Confident	61 Å²	61	50 Å²	50	31%	0.313	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	131.4	175.9	-53.8	165.7	0	0	0	108.5	Y469 S491 L555	Y469-I557 HydrophobicContact CD2-CD1 3.29Å; Y469-I557 HydrophobicContact CD2-CG1 4.28Å; Y469-I557 HydrophobicContact CE2-CD1 3.78Å; Y469-I557 HydrophobicContact CE2-CG1 4.48Å; Y469-I557 HydrophobicContact CG-CD1 3.76Å; S491-I557 VanDerWaalsContact OG-CD1 3.29Å; S491-I557 WeakPolarHBondContact OG-CD1 3.49Å; L555-I557 HydrophobicContact CD2-CG1 4.32Å; L555-I557 HydrophobicContact CG-CG1 4.45Å
558	T	81.4	Confident	82.7	Confident	39 Å²	39	53.1 Å²	53.1	24%	0.239	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-22.1	-174.7	52	0	0	0	0	112.9	I510 M546 G547	I510-T558 HydrophobicContact CD1-CG2 4.05Å; I510-T558 HydrophobicContact CG1-CG2 4.25Å; I510-T558 HydrophobicContact CG2-CG2 4.13Å; I510-T558 WeakPolarHBondContact CG2-OG1 3.44Å; M546-T558 VanDerWaalsContact C-OG1 3.26Å; M546-T558 WeakPolarHBondContact CB-OG1 3.33Å; M546-T558 PolarHBondContact O-N 3.42Å; M546-T558 PolarHBondContact O-OG1 3.48Å; G547-T558 PolarHBondContact N-OG1 3.43Å
559	G	77.2	Confident	80.9	Confident	12 Å²	12	51.6 Å²	51.6	12%	0.124	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.3	-157.6	179.4	0	0	0	0	0	111.9	M546	M546-G559 PolarHBondContact N-O 2.94Å; M546-G559 PolarHBondContact O-N 3.02Å
560	R	77.6	Confident	78.9	Confident	90 Å²	90	51.2 Å²	51.2	34%	0.34	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	129.2	-179.7	-168.6	179.2	-151.3	-159	-3.5	110.3	G544 D545 K562 E563 L564	G544-R560 CarbonylContact O-C 3.51Å; G544-R560 WeakPolarHBondContact O-CA 3.13Å; G544-R560 WeakPolarHBondContact O-CG 3.29Å; D545-R560 WeakPolarHBondContact OD1-CG 3.4Å; D545-R560 IonicContact OD1-NE 2.68Å; D545-R560 PolarHBondContact OD1-NE 2.9Å; R560-K562 VanDerWaalsContact C-N 3.34Å; R560-K562 PolarHBondContact O-N 2.97Å; R560-E563 HydrophobicContact CB-CB 4.2Å; R560-E563 HydrophobicContact CB-CG 4.3Å; R560-E563 WeakPolarHBondContact CD-OE1 3.33Å; R560-E563 IonicContact NH1-OE1 3.81Å; R560-E563 PolarHBondContact NH1-OE1 3.31Å; R560-E563 CarbonylContact O-C 3.53Å; R560-E563 WeakPolarHBondContact O-CA 3.35Å; R560-E563 PolarHBondContact O-N 3.33Å; R560-L564 PolarHBondContact O-N 3.07Å
561	L	70.9	Confident	77.3	Confident	69 Å²	69	53.4 Å²	53.4	36%	0.361	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-47.7	-50.9	-176	-79.3	177.1	0	0	0	113	E512 G544 M546 E563 L564	E512-L561 HydrophobicContact CB-CD1 4.01Å; E512-L561 VanDerWaalsContact CD-CD1 3.49Å; E512-L561 HydrophobicContact CG-CD1 3.84Å; G544-L561 WeakPolarHBondContact O-CB 3.43Å; G544-L561 PolarHBondContact O-N 2.74Å; M546-L561 HydrophobicContact CE-CD2 4.37Å; M546-L561 HydrophobicContact CG-CD2 4.08Å; M546-L561 HydrophobicContact CG-CG 4.12Å; M546-L561 HydrophobicContact SD-CD1 4.37Å; M546-L561 HydrophobicContact SD-CD2 3.36Å; M546-L561 WeakPolarHBondContact SD-CD2 3.33Å; M546-L561 HydrophobicContact SD-CG 3.59Å; M546-L561 VanDerWaalsContact SD-CG 3.59Å; L561-E563 PolarHBondContact O-N 3.14Å; L561-L564 HydrophobicContact CD2-CD1 4.09Å; L561-L564 PolarHBondContact O-N 3.28Å
562	K	67.2	Low	76.1	Confident	156 Å²	156	52.3 Å²	52.3	68%	0.678	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-74.9	-0.9	-179	-63.9	-174.5	179.4	179	0	114.2	R560	R560-K562 VanDerWaalsContact C-N 3.34Å; R560-K562 PolarHBondContact O-N 2.97Å
563	E	69.3	Low	74.9	Confident	43 Å²	43	48.7 Å²	48.7	20%	0.201	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-122.6	1	176.2	-54.7	178.5	-148.6	0	0	111.5	R560 L561 I565 P575 R699	R560-E563 HydrophobicContact CB-CB 4.2Å; R560-E563 HydrophobicContact CB-CG 4.3Å; R560-E563 WeakPolarHBondContact CD-OE1 3.33Å; R560-E563 IonicContact NH1-OE1 3.81Å; R560-E563 PolarHBondContact NH1-OE1 3.31Å; R560-E563 CarbonylContact O-C 3.53Å; R560-E563 WeakPolarHBondContact O-CA 3.35Å; R560-E563 PolarHBondContact O-N 3.33Å; L561-E563 PolarHBondContact O-N 3.14Å; E563-I565 PolarHBondContact O-N 3.2Å; E563-P575 WeakPolarHBondContact O-CD 3.31Å; E563-P575 VanDerWaalsContact O-CG 3.24Å; E563-P575 WeakPolarHBondContact O-CG 3.48Å; E563-R699 IonicContact OE2-CZ 3.87Å; E563-R699 IonicContact OE2-NH1 2.6Å; E563-R699 PolarHBondContact OE2-NH1 2.8Å
564	L	69.1	Low	74	Confident	31 Å²	31	48.9 Å²	48.9	16%	0.162	28%	0.279	C	S	.	.			trans	-63.8	122.6	165.2	-68.6	179.9	0	0	0	107.3	M546 R560 L561 I566 P574	M546-L564 HydrophobicContact CG-CD1 4.35Å; R560-L564 PolarHBondContact O-N 3.07Å; L561-L564 HydrophobicContact CD2-CD1 4.09Å; L561-L564 PolarHBondContact O-N 3.28Å; L564-I566 PolarHBondContact O-N 3.37Å; L564-P574 HydrophobicContact CD2-CB 3.93Å
565	I	76.1	Confident	73.4	Confident	11 Å²	11	48.5 Å²	48.5	6%	0.056	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	117.7	171.5	-80.2	165.3	0	0	0	106.9	E563 T567 E571 V573 P575 L594 D597 L602	E563-I565 PolarHBondContact O-N 3.2Å; I565-T567 HydrophobicContact CG2-CG2 4.34Å; I565-E571 VanDerWaalsContact O-O 3.12Å; I565-V573 HydrophobicContact CB-CB 4.14Å; I565-V573 HydrophobicContact CG2-CB 4.22Å; I565-V573 HydrophobicContact CG2-CG2 4.47Å; I565-V573 PolarHBondContact N-O 2.9Å; I565-V573 PolarHBondContact O-N 3.41Å; I565-P575 HydrophobicContact CD1-CB 4.09Å; I565-L594 HydrophobicContact CD1-CB 4.28Å; I565-L594 HydrophobicContact CD1-CD2 3.92Å; I565-L594 HydrophobicContact CD1-CG 3.92Å; I565-D597 HydrophobicContact CG1-CB 4.38Å; I565-L602 HydrophobicContact CG2-CD2 3.74Å
566	I	72.6	Confident	72.6	Confident	80 Å²	80	50.7 Å²	50.7	41%	0.41	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	105.2	170.1	-52	-174.4	0	0	0	106.4	L564 D597 Q598	L564-I566 PolarHBondContact O-N 3.37Å; I566-D597 PolarHBondContact N-OD1 2.84Å; I566-Q598 PolarHBondContact O-N 3.33Å
567	T	71.9	Confident	72	Confident	9 Å²	9	52.3 Å²	52.3	6%	0.055	31%	0.306	C	S	.	.			trans	-61.4	165.8	178.9	64.1	0	0	0	0	111.1	I565 G569 G570 E571 V573 L602	I565-T567 HydrophobicContact CG2-CG2 4.34Å; T567-G569 PolarHBondContact O-N 2.85Å; T567-G569 VanDerWaalsContact O-N 3.1Å; T567-G569 PolarHBondContact OG1-N 3.27Å; T567-G570 PolarHBondContact O-N 3.3Å; T567-G570 PolarHBondContact OG1-N 3.25Å; T567-E571 HydrophobicContact CG2-CB 4.32Å; T567-E571 PolarHBondContact N-O 2.95Å; T567-E571 VanDerWaalsContact N-O 3.08Å; T567-E571 PolarHBondContact OG1-N 3.04Å; T567-E571 PolarHBondContact OG1-OE2 3.26Å; T567-V573 HydrophobicContact CG2-CG2 3.98Å; T567-L602 HydrophobicContact CG2-CD2 4.29Å
568	A	63.4	Low	71.8	Confident	67 Å²	67	50.3 Å²	50.3	55%	0.554	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-13.1	169.4	0	0	0	0	0	113.8	R599	A568-R599 WeakPolarHBondContact CB-O 3.42Å; A568-R599 PolarHBondContact N-O 2.82Å
569	G	55.2	Low	72.2	Confident	59 Å²	59	49 Å²	49	61%	0.608	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-8.9	171.1	0	0	0	0	0	114.2	T567	T567-G569 PolarHBondContact O-N 2.85Å; T567-G569 VanDerWaalsContact O-N 3.1Å; T567-G569 PolarHBondContact OG1-N 3.27Å
570	G	54	Low	72.5	Confident	49 Å²	49	51.3 Å²	51.3	51%	0.505	30%	0.295	S	S	.	.			trans	83.3	13.2	-175.2	0	0	0	0	0	114.2	T567	T567-G570 PolarHBondContact O-N 3.3Å; T567-G570 PolarHBondContact OG1-N 3.25Å
571	E	61.9	Low	72.8	Confident	79 Å²	79	48.9 Å²	48.9	37%	0.369	29%	0.294	S	S	.	.			trans	-80.1	127.3	174.7	-60	101.3	174.7	0	0	110.8	I565 T567 V573 P671	I565-E571 VanDerWaalsContact O-O 3.12Å; T567-E571 HydrophobicContact CG2-CB 4.32Å; T567-E571 PolarHBondContact N-O 2.95Å; T567-E571 VanDerWaalsContact N-O 3.08Å; T567-E571 PolarHBondContact OG1-N 3.04Å; T567-E571 PolarHBondContact OG1-OE2 3.26Å; E571-V573 PolarHBondContact O-N 2.91Å; E571-P671 HydrophobicContact CB-CB 4.16Å; E571-P671 HydrophobicContact CG-CB 3.85Å; E571-P671 HydrophobicContact CG-CG 3.9Å
572	N	67.6	Low	73.8	Confident	91 Å²	91	45.6 Å²	45.6	49%	0.487	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	110.8	175.4	-65.6	-37.3	0	0	0	110
573	V	70.1	Confident	74.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	113.5	-178	-172.4	0	0	0	0	110.1	I565 T567 E571 P575 I578 L594 L602 Y672	I565-V573 HydrophobicContact CB-CB 4.14Å; I565-V573 HydrophobicContact CG2-CB 4.22Å; I565-V573 HydrophobicContact CG2-CG2 4.47Å; I565-V573 PolarHBondContact N-O 2.9Å; I565-V573 PolarHBondContact O-N 3.41Å; T567-V573 HydrophobicContact CG2-CG2 3.98Å; E571-V573 PolarHBondContact O-N 2.91Å; V573-P575 WeakPolarHBondContact O-CD 3.26Å; V573-I578 HydrophobicContact CG1-CD1 3.56Å; V573-L594 HydrophobicContact CG1-CD2 4.15Å; V573-L602 HydrophobicContact CG1-CD1 3.99Å; V573-L602 HydrophobicContact CG2-CD1 4.48Å; V573-L602 HydrophobicContact CG2-CD2 4.36Å; V573-Y672 HydrophobicContact CB-CD1 4.41Å; V573-Y672 HydrophobicContact CB-CE1 4.43Å; V573-Y672 HydrophobicContact CG1-CD1 4.03Å; V573-Y672 HydrophobicContact CG1-CE1 4.39Å; V573-Y672 HydrophobicContact CG2-CD1 3.74Å; V573-Y672 HydrophobicContact CG2-CE1 3.82Å
574	P	74.8	Confident	75.7	Confident	34 Å²	34	42.5 Å²	42.5	22%	0.221	27%	0.27	C	S	.	.			trans	-71.4	120.3	167.7	28.8	-31.3	0	0	0	109.1	L564 P577	L564-P574 HydrophobicContact CD2-CB 3.93Å; P574-P577 HydrophobicContact CB-CG 4.35Å; P574-P577 HydrophobicContact CG-CG 4.43Å; P574-P577 WeakPolarHBondContact O-CD 3.45Å
575	P	84.3	Confident	76.7	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.013	28%	0.279	C	S	.	.	H	α-helix	trans	-78.7	-36.3	-171.2	29.4	-36.4	0	0	0	113.8	E563 I565 V573 I578 E579 L594 R699	E563-P575 WeakPolarHBondContact O-CD 3.31Å; E563-P575 VanDerWaalsContact O-CG 3.24Å; E563-P575 WeakPolarHBondContact O-CG 3.48Å; I565-P575 HydrophobicContact CD1-CB 4.09Å; V573-P575 WeakPolarHBondContact O-CD 3.26Å; P575-I578 PolarHBondContact O-N 3.2Å; P575-E579 WeakPolarHBondContact O-CG 3.46Å; P575-E579 PolarHBondContact O-N 3.47Å; P575-L594 HydrophobicContact CB-CB 3.9Å; P575-L594 HydrophobicContact CB-CD2 3.8Å; P575-L594 HydrophobicContact CB-CG 4.42Å; P575-R699 VanDerWaalsContact CB-NH2 3.33Å; P575-R699 VanDerWaalsContact CG-CZ 3.49Å
576	V	80.9	Confident	77.5	Confident	46 Å²	46	44.1 Å²	44.1	28%	0.279	28%	0.277	S	S	.	.	H	α-helix	trans	-57.7	-43.4	-172.6	179.5	0	0	0	0	113.3	I578 E579 E580	V576-I578 VanDerWaalsContact C-N 3.27Å; V576-I578 PolarHBondContact O-N 3.41Å; V576-E579 WeakPolarHBondContact CA-OE2 3.49Å; V576-E579 PolarHBondContact O-N 2.88Å; V576-E580 HydrophobicContact CG1-CG 4.34Å; V576-E580 PolarHBondContact O-N 3.12Å
577	P	77.7	Confident	78.3	Confident	70 Å²	70	43 Å²	43	46%	0.455	27%	0.274	S	S	.	.	H	α-helix	trans	-58.1	-35.5	174.6	-26.7	35.9	0	0	0	114.3	P574 A581	P574-P577 HydrophobicContact CB-CG 4.35Å; P574-P577 HydrophobicContact CG-CG 4.43Å; P574-P577 WeakPolarHBondContact O-CD 3.45Å; P577-A581 WeakPolarHBondContact O-CB 2.99Å; P577-A581 PolarHBondContact O-N 2.81Å; P577-A581 VanDerWaalsContact O-N 3.11Å
578	I	84.5	Confident	79.3	Confident	20 Å²	20	42.5 Å²	42.5	10%	0.103	27%	0.271	C	S	.	.	H	α-helix	trans	-77.9	-39.8	-179.2	-62	168.8	0	0	0	110.3	V573 P575 V576 A581 V582 L594 L602 M604 I674	V573-I578 HydrophobicContact CG1-CD1 3.56Å; P575-I578 PolarHBondContact O-N 3.2Å; V576-I578 VanDerWaalsContact C-N 3.27Å; V576-I578 PolarHBondContact O-N 3.41Å; I578-A581 PolarHBondContact O-N 3.02Å; I578-V582 WeakPolarHBondContact O-CG2 3.28Å; I578-V582 PolarHBondContact O-N 2.78Å; I578-L594 HydrophobicContact CB-CD2 4.12Å; I578-L594 HydrophobicContact CD1-CD2 3.76Å; I578-L594 HydrophobicContact CG2-CD1 3.98Å; I578-L594 HydrophobicContact CG2-CD2 4.25Å; I578-L602 HydrophobicContact CD1-CD1 4.32Å; I578-M604 HydrophobicContact CG2-CE 4.13Å; I578-I674 HydrophobicContact CG2-CD1 3.79Å; I578-I674 HydrophobicContact CG2-CG1 4.03Å
579	E	90.6	Very high	80.9	Confident	11 Å²	11	39.5 Å²	39.5	5%	0.051	25%	0.246	C	C	.	.	H	α-helix	trans	-61.6	-45.3	175.6	-68.1	166.1	160.2	0	0	111.8	P575 V576 V582 K583 A592 M593 L594 M604 R699	P575-E579 WeakPolarHBondContact O-CG 3.46Å; P575-E579 PolarHBondContact O-N 3.47Å; V576-E579 WeakPolarHBondContact CA-OE2 3.49Å; V576-E579 PolarHBondContact O-N 2.88Å; E579-V582 PolarHBondContact O-N 3.42Å; E579-K583 WeakPolarHBondContact O-CG 3.41Å; E579-K583 PolarHBondContact O-N 2.87Å; E579-A592 HydrophobicContact CB-CB 4.23Å; E579-A592 WeakPolarHBondContact CG-O 3.44Å; E579-M593 VanDerWaalsContact OE1-CA 3.28Å; E579-M593 WeakPolarHBondContact OE1-CA 3.39Å; E579-L594 HydrophobicContact CG-CB 3.9Å; E579-L594 PolarHBondContact OE1-N 2.67Å; E579-M604 HydrophobicContact CG-CE 4.26Å; E579-R699 IonicContact OE1-CZ 3.52Å; E579-R699 IonicContact OE1-NH2 2.81Å; E579-R699 PolarHBondContact OE1-NH2 2.94Å; E579-R699 IonicContact OE2-CZ 2.85Å; E579-R699 IonicContact OE2-NH2 3.56Å; E579-R699 PolarHBondContact OE2-NH2 3.39Å
580	E	82.1	Confident	82.6	Confident	60 Å²	60	38.1 Å²	38.1	28%	0.28	23%	0.227	S	C	.	.	H	α-helix	trans	-69.3	-33.7	176.1	-69.4	-55.4	138.4	0	0	112.7	T451 V576 V582 K583 T584	T451-E580 WeakPolarHBondContact CG2-OE2 3.34Å; V576-E580 HydrophobicContact CG1-CG 4.34Å; V576-E580 PolarHBondContact O-N 3.12Å; E580-V582 VanDerWaalsContact C-N 3.34Å; E580-K583 PolarHBondContact O-N 3.2Å; E580-K583 IonicContact OE1-NZ 3.63Å; E580-K583 PolarHBondContact OE1-NZ 3.46Å; E580-K583 IonicContact OE2-NZ 2.85Å; E580-K583 PolarHBondContact OE2-NZ 2.98Å; E580-T584 WeakPolarHBondContact O-CB 3.47Å; E580-T584 PolarHBondContact O-N 3.43Å; E580-T584 PolarHBondContact O-OG1 2.66Å
581	A	83.8	Confident	84.4	Confident	39 Å²	39	37.1 Å²	37.1	32%	0.322	21%	0.212	S	C	.	.	H	α-helix	trans	-62	-41.6	172.3	0	0	0	0	0	111.8	P577 I578 T584 E585 V663	P577-A581 WeakPolarHBondContact O-CB 2.99Å; P577-A581 PolarHBondContact O-N 2.81Å; P577-A581 VanDerWaalsContact O-N 3.11Å; I578-A581 PolarHBondContact O-N 3.02Å; A581-T584 PolarHBondContact O-N 3.42Å; A581-E585 WeakPolarHBondContact O-CB 3.19Å; A581-E585 PolarHBondContact O-N 2.89Å; A581-E585 VanDerWaalsContact O-N 3.08Å; A581-V663 HydrophobicContact CB-CG1 3.9Å; A581-V663 HydrophobicContact CB-CG2 4.37Å
582	V	92.9	Very high	86	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.9	-45.4	175.3	173	0	0	0	0	111.9	I578 E579 E580 T584 E585 L586 A592 M604 L606 V663 I674	I578-V582 WeakPolarHBondContact O-CG2 3.28Å; I578-V582 PolarHBondContact O-N 2.78Å; E579-V582 PolarHBondContact O-N 3.42Å; E580-V582 VanDerWaalsContact C-N 3.34Å; V582-T584 VanDerWaalsContact C-N 3.32Å; V582-T584 PolarHBondContact O-N 3.29Å; V582-E585 PolarHBondContact O-N 3.22Å; V582-L586 HydrophobicContact CG1-CD1 4.21Å; V582-L586 WeakPolarHBondContact O-CB 3.42Å; V582-L586 PolarHBondContact O-N 3.08Å; V582-A592 HydrophobicContact CG1-CB 4.4Å; V582-M604 HydrophobicContact CB-CE 4.49Å; V582-M604 HydrophobicContact CB-SD 4.05Å; V582-M604 HydrophobicContact CG1-SD 3.88Å; V582-M604 HydrophobicContact CG2-CE 3.95Å; V582-M604 HydrophobicContact CG2-SD 3.81Å; V582-L606 HydrophobicContact CG1-CD2 3.97Å; V582-V663 HydrophobicContact CG2-CB 4.39Å; V582-V663 HydrophobicContact CG2-CG1 4.07Å; V582-V663 HydrophobicContact CG2-CG2 4.12Å; V582-I674 HydrophobicContact CG2-CD1 3.54Å
583	K	91.1	Very high	87.2	Confident	48 Å²	48	29.6 Å²	29.6	21%	0.209	18%	0.176	C	C	.	.	H	α-helix	trans	-61	-39.5	176	-72.7	167.5	65.6	-140.5	0	112.5	E579 E580 L586 I589 S590 A592	E579-K583 WeakPolarHBondContact O-CG 3.41Å; E579-K583 PolarHBondContact O-N 2.87Å; E580-K583 PolarHBondContact O-N 3.2Å; E580-K583 IonicContact OE1-NZ 3.63Å; E580-K583 PolarHBondContact OE1-NZ 3.46Å; E580-K583 IonicContact OE2-NZ 2.85Å; E580-K583 PolarHBondContact OE2-NZ 2.98Å; K583-L586 CarbonylContact O-C 3.49Å; K583-I589 HydrophobicContact CG-CG2 4.18Å; K583-S590 WeakPolarHBondContact CE-O 3.38Å; K583-A592 HydrophobicContact CD-CB 4.49Å; K583-A592 HydrophobicContact CG-CB 4.1Å
584	T	85.3	Confident	88.4	Confident	86 Å²	86	29.7 Å²	29.7	53%	0.528	18%	0.176	S	C	.	.	H	α-helix	trans	-64.5	-43	177.7	-56.7	0	0	0	0	111.4	E580 A581 V582	E580-T584 WeakPolarHBondContact O-CB 3.47Å; E580-T584 PolarHBondContact O-N 3.43Å; E580-T584 PolarHBondContact O-OG1 2.66Å; A581-T584 PolarHBondContact O-N 3.42Å; V582-T584 VanDerWaalsContact C-N 3.32Å; V582-T584 PolarHBondContact O-N 3.29Å
585	E	90.1	Very high	89.2	Confident	75 Å²	75	28.5 Å²	28.5	35%	0.35	17%	0.168	S	C	.	.	H	α-helix	trans	-81.4	-21.7	-176.5	-175.7	51.4	-152.3	0	0	113.5	A581 V582 P587 R662 V663	A581-E585 WeakPolarHBondContact O-CB 3.19Å; A581-E585 PolarHBondContact O-N 2.89Å; A581-E585 VanDerWaalsContact O-N 3.08Å; V582-E585 PolarHBondContact O-N 3.22Å; E585-P587 WeakPolarHBondContact O-CD 3.46Å; E585-R662 IonicContact OE1-CZ 2.71Å; E585-R662 IonicContact OE1-NE 3.98Å; E585-R662 PolarHBondContact OE1-NE 2.91Å; E585-R662 IonicContact OE1-NH2 2.94Å; E585-R662 PolarHBondContact OE1-NH2 3.36Å; E585-V663 HydrophobicContact CB-CG2 3.94Å; E585-V663 HydrophobicContact CG-CG2 4.28Å
586	L	93.1	Very high	89.3	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.01	17%	0.167	C	C	.	.			trans	-124.8	83.3	-179.6	-65.4	171.8	0	0	0	111.5	V582 K583 I588 I589 F630 I656 I660	V582-L586 HydrophobicContact CG1-CD1 4.21Å; V582-L586 WeakPolarHBondContact O-CB 3.42Å; V582-L586 PolarHBondContact O-N 3.08Å; K583-L586 CarbonylContact O-C 3.49Å; L586-I588 PolarHBondContact O-N 2.77Å; L586-I589 HydrophobicContact CB-CG1 3.67Å; L586-I589 HydrophobicContact CD1-CG1 4.4Å; L586-I589 WeakPolarHBondContact O-CB 3.35Å; L586-I589 WeakPolarHBondContact O-CG1 3.39Å; L586-I589 PolarHBondContact O-N 3.5Å; L586-F630 HydrophobicContact CD2-CE2 4.37Å; L586-F630 HydrophobicContact CD2-CZ 4.09Å; L586-I656 HydrophobicContact CD1-CB 4.16Å; L586-I656 HydrophobicContact CD1-CG1 4.17Å; L586-I656 HydrophobicContact CD1-CG2 3.91Å; L586-I656 HydrophobicContact CD2-CG1 4.36Å; L586-I660 HydrophobicContact CD1-CG1 4.26Å
587	P	88.5	Confident	89.2	Confident	55 Å²	55	29.7 Å²	29.7	36%	0.357	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-11.9	-174.8	-27.7	36	0	0	0	116.7	E585 I589 K609	E585-P587 WeakPolarHBondContact O-CD 3.46Å; P587-I589 VanDerWaalsContact C-N 3.34Å; P587-K609 WeakPolarHBondContact O-CD 3.41Å; P587-K609 WeakPolarHBondContact O-CE 3.27Å; P587-K609 PolarHBondContact O-NZ 3.42Å
588	I	94.3	Very high	88.9	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-21.8	172.7	-169.4	168.6	0	0	0	112.9	L586 L608 K609 A627 F630 C631 I644 V652	L586-I588 PolarHBondContact O-N 2.77Å; I588-L608 HydrophobicContact CG1-CD2 4.27Å; I588-L608 WeakPolarHBondContact O-CA 3.47Å; I588-K609 PolarHBondContact O-N 3.1Å; I588-A627 HydrophobicContact CD1-CB 4.45Å; I588-A627 HydrophobicContact CG1-CB 3.85Å; I588-F630 HydrophobicContact CB-CB 4.06Å; I588-F630 HydrophobicContact CB-CD1 3.82Å; I588-F630 HydrophobicContact CB-CD2 4.1Å; I588-F630 HydrophobicContact CB-CE1 4.3Å; I588-F630 HydrophobicContact CB-CG 3.74Å; I588-F630 HydrophobicContact CD1-CB 4.47Å; I588-F630 HydrophobicContact CD1-CD1 3.76Å; I588-F630 HydrophobicContact CD1-CE1 4.4Å; I588-F630 HydrophobicContact CD1-CG 4.35Å; I588-F630 HydrophobicContact CG1-CD1 4.35Å; I588-F630 HydrophobicContact CG2-CD1 3.87Å; I588-F630 HydrophobicContact CG2-CD2 4.23Å; I588-F630 HydrophobicContact CG2-CE1 3.81Å; I588-F630 HydrophobicContact CG2-CE2 4.18Å; I588-F630 HydrophobicContact CG2-CG 4.1Å; I588-F630 HydrophobicContact CG2-CZ 3.98Å; I588-C631 VanDerWaalsContact CD1-SG 3.6Å; I588-I644 HydrophobicContact CD1-CD1 4.24Å; I588-V652 HydrophobicContact CD1-CG1 4.14Å
589	I	95.8	Very high	88.8	Confident	3 Å²	3	36.3 Å²	36.3	2%	0.015	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	133.8	-178.5	-56.9	-53.6	0	0	0	110.2	K583 L586 P587 S591 A592 L606 T607 L608 K609 I656	K583-I589 HydrophobicContact CG-CG2 4.18Å; L586-I589 HydrophobicContact CB-CG1 3.67Å; L586-I589 HydrophobicContact CD1-CG1 4.4Å; L586-I589 WeakPolarHBondContact O-CB 3.35Å; L586-I589 WeakPolarHBondContact O-CG1 3.39Å; L586-I589 PolarHBondContact O-N 3.5Å; P587-I589 VanDerWaalsContact C-N 3.34Å; I589-S591 WeakPolarHBondContact CG2-O 3.23Å; I589-A592 HydrophobicContact CG2-CB 4.28Å; I589-L606 HydrophobicContact CD1-CB 4.14Å; I589-L606 HydrophobicContact CD1-CD1 4.15Å; I589-L606 HydrophobicContact CD1-CD2 4.35Å; I589-L606 HydrophobicContact CD1-CG 4.46Å; I589-L606 HydrophobicContact CG1-CD2 4.49Å; I589-L606 HydrophobicContact CG2-CD2 4.13Å; I589-T607 CarbonylContact C-O 3.1Å; I589-T607 WeakPolarHBondContact CA-O 3.1Å; I589-L608 HydrophobicContact CD1-CD2 3.88Å; I589-K609 WeakPolarHBondContact O-CE 3.34Å; I589-I656 HydrophobicContact CD1-CD1 4.24Å
590	S	91.4	Very high	88.3	Confident	31 Å²	31	43 Å²	43	22%	0.217	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-61	172.4	-174.2	0	0	0	0	110	K583 T607 D683	K583-S590 WeakPolarHBondContact CE-O 3.38Å; S590-T607 PolarHBondContact N-O 3.12Å; S590-D683 WeakPolarHBondContact CB-OD2 3.16Å; S590-D683 PolarHBondContact OG-OD1 2.89Å; S590-D683 PolarHBondContact OG-OD2 3.34Å
591	S	91.5	Very high	88.6	Confident	27 Å²	27	41.7 Å²	41.7	19%	0.189	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.2	176.4	-56.2	0	0	0	0	110.9	I589 L606 T607 D683 F684	I589-S591 WeakPolarHBondContact CG2-O 3.23Å; S591-L606 WeakPolarHBondContact O-CA 3.47Å; S591-T607 WeakPolarHBondContact CA-OG1 3.24Å; S591-T607 VanDerWaalsContact CB-OG1 3.25Å; S591-T607 WeakPolarHBondContact CB-OG1 3.18Å; S591-T607 PolarHBondContact N-OG1 3.09Å; S591-T607 PolarHBondContact O-N 2.96Å; S591-T607 PolarHBondContact O-OG1 2.89Å; S591-D683 PolarHBondContact OG-OD1 3.08Å; S591-F684 WeakPolarHBondContact OG-CD2 3.32Å
592	A	94.7	Very high	88.9	Confident	9 Å²	9	39.9 Å²	39.9	7%	0.074	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.5	169.2	0	0	0	0	0	108.1	E579 V582 K583 I589 M604 L606	E579-A592 HydrophobicContact CB-CB 4.23Å; E579-A592 WeakPolarHBondContact CG-O 3.44Å; V582-A592 HydrophobicContact CG1-CB 4.4Å; K583-A592 HydrophobicContact CD-CB 4.49Å; K583-A592 HydrophobicContact CG-CB 4.1Å; I589-A592 HydrophobicContact CG2-CB 4.28Å; A592-M604 HydrophobicContact CB-SD 3.87Å; A592-L606 HydrophobicContact CB-CD2 3.94Å
593	M	94.7	Very high	89.1	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.015	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	109.9	174.6	-178.2	174.9	164.9	0	0	110.8	E579 I595 M604 L605 F684 L697 R699 V702 L703	E579-M593 VanDerWaalsContact OE1-CA 3.28Å; E579-M593 WeakPolarHBondContact OE1-CA 3.39Å; M593-I595 HydrophobicContact CE-CG1 4.38Å; M593-M604 CarbonylContact O-C 3.51Å; M593-M604 WeakPolarHBondContact O-CA 3.07Å; M593-M604 WeakPolarHBondContact O-CG 3.38Å; M593-L605 PolarHBondContact N-O 3.49Å; M593-L605 PolarHBondContact O-N 3.45Å; M593-F684 HydrophobicContact CB-CE2 4.42Å; M593-L697 HydrophobicContact CB-CD2 4.17Å; M593-L697 HydrophobicContact CG-CD2 4.04Å; M593-L697 HydrophobicContact SD-CD2 3.96Å; M593-R699 HydrophobicContact CE-CB 3.81Å; M593-R699 HydrophobicContact CE-CG 3.96Å; M593-R699 HydrophobicContact SD-CG 4.47Å; M593-V702 HydrophobicContact CE-CB 4.47Å; M593-V702 HydrophobicContact SD-CB 3.73Å; M593-V702 HydrophobicContact SD-CG1 3.48Å; M593-V702 WeakPolarHBondContact SD-CG1 3.23Å; M593-V702 HydrophobicContact SD-CG2 4.45Å; M593-L703 HydrophobicContact CE-CD2 3.69Å; M593-L703 HydrophobicContact CE-CG 3.87Å
594	L	94	Very high	89.4	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	140.8	172	-166.7	74.1	0	0	0	110.5	I565 V573 P575 I578 E579 L602 M604 I674	I565-L594 HydrophobicContact CD1-CB 4.28Å; I565-L594 HydrophobicContact CD1-CD2 3.92Å; I565-L594 HydrophobicContact CD1-CG 3.92Å; V573-L594 HydrophobicContact CG1-CD2 4.15Å; P575-L594 HydrophobicContact CB-CB 3.9Å; P575-L594 HydrophobicContact CB-CD2 3.8Å; P575-L594 HydrophobicContact CB-CG 4.42Å; I578-L594 HydrophobicContact CB-CD2 4.12Å; I578-L594 HydrophobicContact CD1-CD2 3.76Å; I578-L594 HydrophobicContact CG2-CD1 3.98Å; I578-L594 HydrophobicContact CG2-CD2 4.25Å; E579-L594 HydrophobicContact CG-CB 3.9Å; E579-L594 PolarHBondContact OE1-N 2.67Å; L594-L602 HydrophobicContact CD1-CB 4.09Å; L594-L602 HydrophobicContact CD1-CD1 4.32Å; L594-L602 HydrophobicContact CD2-CD1 4.22Å; L594-M604 HydrophobicContact CB-CE 4.04Å; L594-M604 HydrophobicContact CD1-CE 3.62Å; L594-M604 HydrophobicContact CG-CE 4.46Å; L594-I674 HydrophobicContact CD1-CG1 3.9Å
595	I	92.7	Very high	90	Very high	9 Å²	9	33.5 Å²	33.5	5%	0.046	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	141.4	-179.9	-60.1	156.8	0	0	0	107.6	M593 L602 S603 L605 L703 I710	M593-I595 HydrophobicContact CE-CG1 4.38Å; I595-L602 CarbonylContact O-C 3.23Å; I595-L602 WeakPolarHBondContact O-CA 3.38Å; I595-S603 PolarHBondContact N-O 3.06Å; I595-S603 PolarHBondContact O-N 3.38Å; I595-S603 VanDerWaalsContact O-O 3.09Å; I595-L605 HydrophobicContact CD1-CD1 3.98Å; I595-L605 HydrophobicContact CD1-CG 3.7Å; I595-L703 HydrophobicContact CD1-CD2 4.35Å; I595-L703 HydrophobicContact CG1-CD2 3.89Å; I595-L703 HydrophobicContact CG2-CD2 4.14Å; I595-I710 HydrophobicContact CD1-CD1 3.64Å; I595-I710 HydrophobicContact CD1-CG1 3.68Å; I595-I710 HydrophobicContact CD1-CG2 4.28Å; I595-I710 HydrophobicContact CG2-CG2 3.92Å
596	G	84.8	Confident	90.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.			trans	176.6	-0.3	175.1	0	0	0	0	0	114.9	Q598 R599	G596-Q598 PolarHBondContact O-N 2.96Å; G596-R599 WeakPolarHBondContact O-CB 3.39Å; G596-R599 PolarHBondContact O-N 2.86Å
597	D	79.1	Confident	90.5	Very high	73 Å²	73	29.9 Å²	29.9	39%	0.39	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	123.5	-177.4	-167.1	57.7	0	0	0	110.8	I565 I566 R599	I565-D597 HydrophobicContact CG1-CB 4.38Å; I566-D597 PolarHBondContact N-OD1 2.84Å; D597-R599 WeakPolarHBondContact O-CG 3.48Å; D597-R599 PolarHBondContact O-N 3.33Å; D597-R599 VanDerWaalsContact O-N 3.16Å
598	Q	72.7	Confident	90.8	Very high	157 Å²	157	27.3 Å²	27.3	73%	0.734	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	21.7	-170.9	-51.1	-177.8	15.3	0	0	114.6	I566 G596	I566-Q598 PolarHBondContact O-N 3.33Å; G596-Q598 PolarHBondContact O-N 2.96Å
599	R	82	Confident	90.7	Very high	73 Å²	73	29.3 Å²	29.3	28%	0.275	14%	0.141	S	C	.	.	S	Bend	trans	-105.8	158.1	178.8	-56.3	-59.7	-177.6	140.4	5.8	112.6	A568 G596 D597 F601 D711 Y714	A568-R599 WeakPolarHBondContact CB-O 3.42Å; A568-R599 PolarHBondContact N-O 2.82Å; G596-R599 WeakPolarHBondContact O-CB 3.39Å; G596-R599 PolarHBondContact O-N 2.86Å; D597-R599 WeakPolarHBondContact O-CG 3.48Å; D597-R599 PolarHBondContact O-N 3.33Å; D597-R599 VanDerWaalsContact O-N 3.16Å; R599-F601 PolarHBondContact O-N 3.29Å; R599-D711 IonicContact CZ-OD1 3.99Å; R599-D711 VanDerWaalsContact CZ-OD1 3.31Å; R599-D711 IonicContact NH1-OD1 2.83Å; R599-D711 PolarHBondContact NH1-OD1 3.46Å; R599-D711 IonicContact NH2-OD1 2.69Å; R599-D711 PolarHBondContact NH2-OD1 3.49Å; R599-Y714 HydrophobicContact CB-CD1 3.97Å; R599-Y714 HydrophobicContact CB-CE1 3.47Å; R599-Y714 VanDerWaalsContact CB-CE1 3.47Å; R599-Y714 HydrophobicContact CB-CE2 4.24Å; R599-Y714 HydrophobicContact CG-CD1 4.27Å; R599-Y714 HydrophobicContact CG-CD2 4.08Å; R599-Y714 HydrophobicContact CG-CE1 3.9Å; R599-Y714 HydrophobicContact CG-CE2 3.73Å; R599-Y714 HydrophobicContact CG-CG 4.35Å
600	K	80	Confident	90.5	Very high	152 Å²	152	29.8 Å²	29.8	66%	0.661	14%	0.144	S	C	*	.	S	Bend	trans	-65.8	-19.6	-179.1	-64.2	-177	-178.7	-178.8	0	114.1	E716	K600-E716 IonicContact NZ-OE1 2.72Å; K600-E716 PolarHBondContact NZ-OE1 3.34Å
601	F	87.3	Confident	90.4	Very high	32 Å²	32	31 Å²	31	14%	0.14	15%	0.15	C	C	.	.	S	Bend	trans	-163.2	169.5	-178.5	52.8	-101.2	0	0	0	110.1	R599 Q675 K676 F713 Y714	R599-F601 PolarHBondContact O-N 3.29Å; F601-Q675 HydrophobicContact CB-CB 4.3Å; F601-Q675 HydrophobicContact CB-CG 3.94Å; F601-Q675 VanDerWaalsContact CB-NE2 3.31Å; F601-Q675 HydrophobicContact CD2-CB 3.79Å; F601-Q675 HydrophobicContact CD2-CG 4.38Å; F601-Q675 HydrophobicContact CE2-CB 4.36Å; F601-Q675 HydrophobicContact CG-CB 4.12Å; F601-Q675 HydrophobicContact CG-CG 4.27Å; F601-K676 HydrophobicContact CE2-CB 4.26Å; F601-K676 HydrophobicContact CE2-CD 3.93Å; F601-K676 HydrophobicContact CE2-CG 3.94Å; F601-K676 HydrophobicContact CZ-CD 3.92Å; F601-K676 HydrophobicContact CZ-CG 4.33Å; F601-F713 WeakPolarHBondContact CZ-O 3.4Å; F601-Y714 HydrophobicContact CD1-CE1 4.33Å; F601-Y714 HydrophobicContact CD2-CD1 4.37Å; F601-Y714 AromaticContact CD2-CE1 3.56Å; F601-Y714 HydrophobicContact CD2-CE1 3.56Å; F601-Y714 HydrophobicContact CE1-CD1 4.01Å; F601-Y714 HydrophobicContact CE1-CE1 4.13Å; F601-Y714 AromaticContact CE2-CD1 3.81Å; F601-Y714 HydrophobicContact CE2-CD1 3.81Å; F601-Y714 AromaticContact CE2-CE1 3.31Å; F601-Y714 HydrophobicContact CE2-CE1 3.31Å; F601-Y714 HydrophobicContact CG-CE1 4.07Å; F601-Y714 AromaticContact CZ-CD1 3.61Å; F601-Y714 HydrophobicContact CZ-CD1 3.61Å; F601-Y714 AromaticContact CZ-CE1 3.63Å; F601-Y714 HydrophobicContact CZ-CE1 3.63Å; F601-Y714 WeakPolarHBondContact O-CE1 3.42Å; F601-Y714 PolarHBondContact O-OH 2.65Å
602	L	91.7	Very high	90	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	138.6	174.8	-55.3	178	0	0	0	112	I565 T567 V573 I578 L594 I595 P671 Q675	I565-L602 HydrophobicContact CG2-CD2 3.74Å; T567-L602 HydrophobicContact CG2-CD2 4.29Å; V573-L602 HydrophobicContact CG1-CD1 3.99Å; V573-L602 HydrophobicContact CG2-CD1 4.48Å; V573-L602 HydrophobicContact CG2-CD2 4.36Å; I578-L602 HydrophobicContact CD1-CD1 4.32Å; L594-L602 HydrophobicContact CD1-CB 4.09Å; L594-L602 HydrophobicContact CD1-CD1 4.32Å; L594-L602 HydrophobicContact CD2-CD1 4.22Å; I595-L602 CarbonylContact O-C 3.23Å; I595-L602 WeakPolarHBondContact O-CA 3.38Å; L602-P671 VanDerWaalsContact CD1-O 3.29Å; L602-P671 WeakPolarHBondContact CD1-O 3.42Å; L602-Q675 PolarHBondContact O-N 3.27Å
603	S	96.1	Very high	89.4	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	169	169.7	66.1	0	0	0	0	111.3	I595 K676 F713 Y714	I595-S603 PolarHBondContact N-O 3.06Å; I595-S603 PolarHBondContact O-N 3.38Å; I595-S603 VanDerWaalsContact O-O 3.09Å; S603-K676 CarbonylContact C-O 3.56Å; S603-K676 WeakPolarHBondContact CA-O 3.4Å; S603-K676 WeakPolarHBondContact CB-O 3.44Å; S603-F713 VanDerWaalsContact CB-CD2 3.46Å; S603-F713 VanDerWaalsContact OG-CD2 3.27Å; S603-F713 WeakPolarHBondContact OG-CD2 3.37Å; S603-Y714 VanDerWaalsContact CB-OH 3.29Å; S603-Y714 WeakPolarHBondContact CB-OH 3.46Å; S603-Y714 PolarHBondContact N-OH 2.99Å; S603-Y714 PolarHBondContact OG-OH 3.46Å
604	M	97.2	Very high	88.2	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	137.6	-178.1	-170.8	168.3	-78.4	0	0	113.7	I578 E579 V582 A592 M593 L594 L606 I674 K676 W677 A678	I578-M604 HydrophobicContact CG2-CE 4.13Å; E579-M604 HydrophobicContact CG-CE 4.26Å; V582-M604 HydrophobicContact CB-CE 4.49Å; V582-M604 HydrophobicContact CB-SD 4.05Å; V582-M604 HydrophobicContact CG1-SD 3.88Å; V582-M604 HydrophobicContact CG2-CE 3.95Å; V582-M604 HydrophobicContact CG2-SD 3.81Å; A592-M604 HydrophobicContact CB-SD 3.87Å; M593-M604 CarbonylContact O-C 3.51Å; M593-M604 WeakPolarHBondContact O-CA 3.07Å; M593-M604 WeakPolarHBondContact O-CG 3.38Å; L594-M604 HydrophobicContact CB-CE 4.04Å; L594-M604 HydrophobicContact CD1-CE 3.62Å; L594-M604 HydrophobicContact CG-CE 4.46Å; M604-L606 HydrophobicContact CG-CD2 3.8Å; M604-L606 HydrophobicContact CG-CG 4.29Å; M604-L606 HydrophobicContact SD-CD2 3.63Å; M604-I674 HydrophobicContact CB-CG2 3.96Å; M604-I674 HydrophobicContact CE-CD1 3.56Å; M604-I674 HydrophobicContact CE-CG1 4.18Å; M604-I674 HydrophobicContact SD-CD1 4.09Å; M604-K676 PolarHBondContact N-O 3.31Å; M604-W677 HydrophobicContact CB-CB 4.23Å; M604-W677 CarbonylContact O-C 3.6Å; M604-W677 WeakPolarHBondContact O-CA 3.39Å; M604-W677 WeakPolarHBondContact O-CB 3.22Å; M604-A678 PolarHBondContact O-N 2.54Å
605	L	97.6	Very high	87	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	137.2	163	-63.3	178.2	0	0	0	109.3	M593 I595 A678 L680 V702 Y706 I709 I710 F713	M593-L605 PolarHBondContact N-O 3.49Å; M593-L605 PolarHBondContact O-N 3.45Å; I595-L605 HydrophobicContact CD1-CD1 3.98Å; I595-L605 HydrophobicContact CD1-CG 3.7Å; L605-A678 HydrophobicContact CD2-CB 4.38Å; L605-L680 HydrophobicContact CB-CD1 4.17Å; L605-L680 HydrophobicContact CB-CG 4.43Å; L605-L680 HydrophobicContact CD1-CD1 4.36Å; L605-L680 HydrophobicContact CD2-CD2 4.08Å; L605-V702 HydrophobicContact CD1-CG1 4.21Å; L605-Y706 HydrophobicContact CD1-CD2 4.2Å; L605-Y706 HydrophobicContact CD1-CG 4.14Å; L605-I709 HydrophobicContact CD2-CG2 3.91Å; L605-I710 HydrophobicContact CD1-CD1 4.09Å; L605-I710 HydrophobicContact CD1-CG1 4.12Å; L605-F713 HydrophobicContact CD2-CE2 4.1Å; L605-F713 HydrophobicContact CD2-CZ 4.24Å
606	L	97.6	Very high	86	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	143.3	-178.3	-62.8	176.5	0	0	0	109.9	V582 I589 S591 A592 M604 I656 I660 W677 A678 I679 L680	V582-L606 HydrophobicContact CG1-CD2 3.97Å; I589-L606 HydrophobicContact CD1-CB 4.14Å; I589-L606 HydrophobicContact CD1-CD1 4.15Å; I589-L606 HydrophobicContact CD1-CD2 4.35Å; I589-L606 HydrophobicContact CD1-CG 4.46Å; I589-L606 HydrophobicContact CG1-CD2 4.49Å; I589-L606 HydrophobicContact CG2-CD2 4.13Å; S591-L606 WeakPolarHBondContact O-CA 3.47Å; A592-L606 HydrophobicContact CB-CD2 3.94Å; M604-L606 HydrophobicContact CG-CD2 3.8Å; M604-L606 HydrophobicContact CG-CG 4.29Å; M604-L606 HydrophobicContact SD-CD2 3.63Å; L606-I656 HydrophobicContact CD1-CG2 3.75Å; L606-I660 HydrophobicContact CD1-CD1 4.23Å; L606-W677 HydrophobicContact CD1-CB 4.47Å; L606-W677 HydrophobicContact CD1-CD2 4.33Å; L606-W677 HydrophobicContact CD1-CE3 3.82Å; L606-W677 HydrophobicContact CD1-CZ3 4.49Å; L606-A678 PolarHBondContact N-O 3.06Å; L606-I679 HydrophobicContact CB-CG1 4.4Å; L606-I679 CarbonylContact O-C 3.45Å; L606-I679 WeakPolarHBondContact O-CA 3.36Å; L606-L680 PolarHBondContact O-N 2.82Å
607	T	96.7	Very high	85.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	153.3	167.2	68.3	0	0	0	0	109.6	I589 S590 S591 L680 R682 D683 F684	I589-T607 CarbonylContact C-O 3.1Å; I589-T607 WeakPolarHBondContact CA-O 3.1Å; S590-T607 PolarHBondContact N-O 3.12Å; S591-T607 WeakPolarHBondContact CA-OG1 3.24Å; S591-T607 VanDerWaalsContact CB-OG1 3.25Å; S591-T607 WeakPolarHBondContact CB-OG1 3.18Å; S591-T607 PolarHBondContact N-OG1 3.09Å; S591-T607 PolarHBondContact O-N 2.96Å; S591-T607 PolarHBondContact O-OG1 2.89Å; T607-L680 HydrophobicContact CG2-CB 4.28Å; T607-L680 HydrophobicContact CG2-CD1 4.08Å; T607-R682 WeakPolarHBondContact CG2-O 3.24Å; T607-D683 VanDerWaalsContact CB-OD1 3.22Å; T607-D683 WeakPolarHBondContact CB-OD1 3.44Å; T607-D683 PolarHBondContact OG1-OD1 3.49Å; T607-F684 HydrophobicContact CG2-CD1 4.02Å; T607-F684 HydrophobicContact CG2-CE1 3.97Å; T607-F684 HydrophobicContact CG2-CE2 4.46Å; T607-F684 HydrophobicContact CG2-CG 4.31Å; T607-F684 HydrophobicContact CG2-CZ 4.2Å
608	L	95.6	Very high	85.6	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	149.3	178.3	-51.3	-174.8	0	0	0	110.4	I588 I589 C610 L623 V641 I644 I679	I588-L608 HydrophobicContact CG1-CD2 4.27Å; I588-L608 WeakPolarHBondContact O-CA 3.47Å; I589-L608 HydrophobicContact CD1-CD2 3.88Å; L608-C610 PolarHBondContact O-N 3.46Å; L608-C610 VanDerWaalsContact O-N 3.12Å; L608-L623 HydrophobicContact CB-CD2 4.16Å; L608-L623 HydrophobicContact CD1-CD2 4.36Å; L608-V641 HydrophobicContact CB-CG2 4.27Å; L608-V641 HydrophobicContact CD1-CG1 4.34Å; L608-I644 HydrophobicContact CD1-CB 4.12Å; L608-I644 HydrophobicContact CD1-CD1 3.6Å; L608-I644 HydrophobicContact CD1-CG1 4.44Å; L608-I644 HydrophobicContact CD1-CG2 3.96Å; L608-I679 HydrophobicContact CD1-CG2 4.09Å; L608-I679 HydrophobicContact CD2-CD1 4.35Å; L608-I679 HydrophobicContact CD2-CG2 3.8Å; L608-I679 HydrophobicContact CG-CG2 3.67Å
609	K	92.2	Very high	86.2	Confident	42 Å²	42	46.6 Å²	46.6	18%	0.183	24%	0.243	C	C	.	.			trans	-66.8	108.7	173.6	-70	178	177.7	169.5	0	110.6	P587 I588 I589 T624 A627	P587-K609 WeakPolarHBondContact O-CD 3.41Å; P587-K609 WeakPolarHBondContact O-CE 3.27Å; P587-K609 PolarHBondContact O-NZ 3.42Å; I588-K609 PolarHBondContact O-N 3.1Å; I589-K609 WeakPolarHBondContact O-CE 3.34Å; K609-T624 HydrophobicContact CB-CG2 4.07Å; K609-T624 WeakPolarHBondContact CB-OG1 3.43Å; K609-T624 PolarHBondContact O-N 2.94Å; K609-A627 HydrophobicContact CB-CB 4.26Å; K609-A627 WeakPolarHBondContact O-CB 3.43Å
610	C	91.6	Very high	86.7	Confident	12 Å²	12	44.9 Å²	44.9	8%	0.081	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	160.7	173.2	58.9	0	0	0	0	112	L608 T620 N622 V641	L608-C610 PolarHBondContact O-N 3.46Å; L608-C610 VanDerWaalsContact O-N 3.12Å; C610-T620 VanDerWaalsContact CB-O 3.23Å; C610-T620 WeakPolarHBondContact CB-O 3.38Å; C610-T620 PolarHBondContact SG-O 3.37Å; C610-T620 VanDerWaalsContact SG-O 3.41Å; C610-N622 CarbonylContact C-O 3.6Å; C610-N622 WeakPolarHBondContact CA-O 3.33Å; C610-N622 WeakPolarHBondContact CB-O 3.33Å; C610-V641 HydrophobicContact CB-CG2 4.1Å
611	T	88.8	Confident	87.4	Confident	56 Å²	56	40.5 Å²	40.5	34%	0.344	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	150.2	172.2	57.4	0	0	0	0	110.8	T620 N622 T624	T611-T620 WeakPolarHBondContact O-CB 3.37Å; T611-T620 WeakPolarHBondContact O-CG2 3.37Å; T611-T620 PolarHBondContact O-N 3.41Å; T611-T620 PolarHBondContact O-OG1 2.71Å; T611-T620 PolarHBondContact OG1-OG1 3.37Å; T611-N622 PolarHBondContact N-O 2.84Å; T611-T624 HydrophobicContact CG2-CG2 4.44Å
612	L	83.4	Confident	87.7	Confident	78 Å²	78	43.2 Å²	43.2	41%	0.408	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	143.9	175.4	-58.5	176.4	0	0	0	110.4	E618 P619	L612-E618 CarbonylContact C-O 3.33Å; L612-E618 WeakPolarHBondContact CA-O 3.41Å; L612-P619 HydrophobicContact CD2-CG 4.21Å
613	D	81.3	Confident	87.7	Confident	57 Å²	57	43.4 Å²	43.4	31%	0.305	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-65	126.7	171	176.4	-86.3	0	0	0	110.3	E615 T616 S617 E618 T620	D613-E615 VanDerWaalsContact C-N 3.34Å; D613-E615 PolarHBondContact O-N 3.05Å; D613-E615 PolarHBondContact OD1-N 3.07Å; D613-E615 VanDerWaalsContact OD1-N 3.09Å; D613-T616 VanDerWaalsContact CB-OG1 3.29Å; D613-T616 WeakPolarHBondContact CB-OG1 3.49Å; D613-T616 WeakPolarHBondContact OD1-CB 3.33Å; D613-T616 PolarHBondContact OD1-N 3.1Å; D613-T616 PolarHBondContact OD1-OG1 3.18Å; D613-S617 WeakPolarHBondContact O-CA 3.46Å; D613-S617 PolarHBondContact O-N 3.02Å; D613-E618 PolarHBondContact N-O 2.96Å; D613-T620 HydrophobicContact CB-CG2 4.07Å
614	P	70.2	Confident	87.4	Confident	112 Å²	112	45 Å²	45	73%	0.727	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-31.9	-173.2	-25.9	35.5	0	0	0	115
615	E	68.3	Low	87	Confident	160 Å²	160	49.9 Å²	49.9	75%	0.748	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-49.8	-175.1	-63.2	-168.3	169.5	0	0	111.3	K352 D613	K352-E615 PolarHBondContact NZ-O 3.17Å; D613-E615 VanDerWaalsContact C-N 3.34Å; D613-E615 PolarHBondContact O-N 3.05Å; D613-E615 PolarHBondContact OD1-N 3.07Å; D613-E615 VanDerWaalsContact OD1-N 3.09Å
616	T	73	Confident	86.3	Confident	87 Å²	87	52.4 Å²	52.4	53%	0.534	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-20.7	-174.3	63.3	0	0	0	0	113.3	D613 E618	D613-T616 VanDerWaalsContact CB-OG1 3.29Å; D613-T616 WeakPolarHBondContact CB-OG1 3.49Å; D613-T616 WeakPolarHBondContact OD1-CB 3.33Å; D613-T616 PolarHBondContact OD1-N 3.1Å; D613-T616 PolarHBondContact OD1-OG1 3.18Å; T616-E618 PolarHBondContact O-N 3.04Å; T616-E618 PolarHBondContact OG1-N 3.11Å
617	S	71.1	Confident	86	Confident	48 Å²	48	52.4 Å²	52.4	34%	0.336	29%	0.286	S	S	.	.			trans	63.6	21.9	-172.2	-52.4	0	0	0	0	114.6	D613	D613-S617 WeakPolarHBondContact O-CA 3.46Å; D613-S617 PolarHBondContact O-N 3.02Å
618	E	83.1	Confident	85.8	Confident	47 Å²	47	55.2 Å²	55.2	22%	0.22	30%	0.3	C	S	.	.			trans	-88.2	148.7	179.8	-74.1	-59.6	132.2	0	0	113.8	L612 D613 T616 T620 S685 S687	L612-E618 CarbonylContact C-O 3.33Å; L612-E618 WeakPolarHBondContact CA-O 3.41Å; D613-E618 PolarHBondContact N-O 2.96Å; T616-E618 PolarHBondContact O-N 3.04Å; T616-E618 PolarHBondContact OG1-N 3.11Å; E618-T620 PolarHBondContact O-N 2.71Å; E618-S685 PolarHBondContact OE1-OG 3.22Å; E618-S685 VanDerWaalsContact OE2-CB 3.27Å; E618-S685 WeakPolarHBondContact OE2-CB 3.48Å; E618-S685 PolarHBondContact OE2-OG 3.12Å; E618-S687 WeakPolarHBondContact OE1-CB 3.45Å; E618-S687 PolarHBondContact OE1-OG 3.32Å; E618-S687 PolarHBondContact OE2-OG 2.85Å
619	P	86.6	Confident	85.6	Confident	19 Å²	19	60.2 Å²	60.2	12%	0.123	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	122.4	169.9	-27.6	37.9	0	0	0	113.2	L612 D683	L612-P619 HydrophobicContact CD2-CG 4.21Å; P619-D683 HydrophobicContact CB-CB 3.95Å; P619-D683 HydrophobicContact CG-CB 3.96Å
620	T	91.5	Very high	85.6	Confident	38 Å²	38	58.7 Å²	58.7	23%	0.233	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	174.3	171.6	69.9	0	0	0	0	111.4	C610 T611 D613 E618 N622	C610-T620 VanDerWaalsContact CB-O 3.23Å; C610-T620 WeakPolarHBondContact CB-O 3.38Å; C610-T620 PolarHBondContact SG-O 3.37Å; C610-T620 VanDerWaalsContact SG-O 3.41Å; T611-T620 WeakPolarHBondContact O-CB 3.37Å; T611-T620 WeakPolarHBondContact O-CG2 3.37Å; T611-T620 PolarHBondContact O-N 3.41Å; T611-T620 PolarHBondContact O-OG1 2.71Å; T611-T620 PolarHBondContact OG1-OG1 3.37Å; D613-T620 HydrophobicContact CB-CG2 4.07Å; E618-T620 PolarHBondContact O-N 2.71Å; T620-N622 PolarHBondContact OG1-N 2.99Å
621	D	93.7	Very high	85.7	Confident	59 Å²	59	58.1 Å²	58.1	32%	0.316	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-19.9	173	-167	50.3	0	0	0	112.7	T640 V641 S642	D621-T640 CarbonylContact O-C 3.55Å; D621-T640 WeakPolarHBondContact O-CA 3.37Å; D621-T640 VanDerWaalsContact O-CB 3.24Å; D621-T640 WeakPolarHBondContact O-CB 3.47Å; D621-T640 WeakPolarHBondContact OD2-CB 3.33Å; D621-T640 PolarHBondContact OD2-OG1 3.43Å; D621-V641 PolarHBondContact O-N 2.73Å; D621-S642 VanDerWaalsContact CG-OG 3.26Å; D621-S642 WeakPolarHBondContact OD1-CB 3.11Å; D621-S642 PolarHBondContact OD1-N 2.68Å; D621-S642 PolarHBondContact OD1-OG 2.7Å; D621-S642 WeakPolarHBondContact OD2-CB 3.41Å; D621-S642 PolarHBondContact OD2-OG 3.36Å
622	N	93.6	Very high	85.9	Confident	89 Å²	89	62 Å²	62	48%	0.476	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	133.2	-174.7	-54.9	-58.9	0	0	0	111.5	C610 T611 T620	C610-N622 CarbonylContact C-O 3.6Å; C610-N622 WeakPolarHBondContact CA-O 3.33Å; C610-N622 WeakPolarHBondContact CB-O 3.33Å; T611-N622 PolarHBondContact N-O 2.84Å; T620-N622 PolarHBondContact OG1-N 2.99Å
623	L	92.5	Very high	86.3	Confident	5 Å²	5	66.7 Å²	66.7	3%	0.026	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	152.5	177.3	-64.8	172.5	0	0	0	111.7	L608 A627 M628 S639 V641 I644	L608-L623 HydrophobicContact CB-CD2 4.16Å; L608-L623 HydrophobicContact CD1-CD2 4.36Å; L623-A627 HydrophobicContact CB-CB 3.95Å; L623-A627 HydrophobicContact CD2-CB 4.17Å; L623-A627 HydrophobicContact CG-CB 4.47Å; L623-M628 HydrophobicContact CB-CG 3.81Å; L623-M628 HydrophobicContact CD1-CG 4.43Å; L623-S639 WeakPolarHBondContact CB-O 3.24Å; L623-S639 WeakPolarHBondContact CG-O 3.19Å; L623-S639 PolarHBondContact N-O 2.82Å; L623-V641 HydrophobicContact CD2-CG2 3.71Å; L623-I644 HydrophobicContact CD1-CD1 3.64Å; L623-I644 HydrophobicContact CD2-CD1 4.29Å
624	T	90.5	Very high	86.9	Confident	34 Å²	34	66.1 Å²	66.1	21%	0.209	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-70.6	161	168.4	64.1	0	0	0	0	111.3	K609 T611 Q626 A627 M628	K609-T624 HydrophobicContact CB-CG2 4.07Å; K609-T624 WeakPolarHBondContact CB-OG1 3.43Å; K609-T624 PolarHBondContact O-N 2.94Å; T611-T624 HydrophobicContact CG2-CG2 4.44Å; T624-Q626 VanDerWaalsContact C-N 3.25Å; T624-Q626 PolarHBondContact O-N 3.19Å; T624-A627 WeakPolarHBondContact O-CB 3.45Å; T624-A627 PolarHBondContact O-N 2.99Å; T624-A627 PolarHBondContact OG1-N 3.47Å; T624-M628 PolarHBondContact O-N 3Å
625	E	87.5	Confident	87.9	Confident	102 Å²	102	63.7 Å²	63.7	48%	0.477	33%	0.333	S	S	.	.	H	α-helix	trans	-54.1	-42.4	175.6	-169.1	170.9	-158.9	0	0	111.7	A627 M628 E629	E625-A627 PolarHBondContact O-N 2.89Å; E625-M628 PolarHBondContact O-N 2.83Å; E625-E629 WeakPolarHBondContact O-CG 3.49Å; E625-E629 PolarHBondContact O-N 2.93Å
626	Q	84.6	Confident	89.2	Confident	53 Å²	53	56.4 Å²	56.4	25%	0.248	30%	0.3	C	S	.	.	H	α-helix	trans	-60.1	-40	174.6	-62.4	-173.1	-8.5	0	0	113.3	Q382 T624 F630	Q382-Q626 VanDerWaalsContact OE1-NE2 3.17Å; T624-Q626 VanDerWaalsContact C-N 3.25Å; T624-Q626 PolarHBondContact O-N 3.19Å; Q626-F630 PolarHBondContact O-N 3.08Å; Q626-F630 VanDerWaalsContact O-N 3.09Å
627	A	90.3	Very high	90.1	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-71	-38.6	177.9	0	0	0	0	0	111.7	I588 K609 L623 T624 E625 F630 C631	I588-A627 HydrophobicContact CD1-CB 4.45Å; I588-A627 HydrophobicContact CG1-CB 3.85Å; K609-A627 HydrophobicContact CB-CB 4.26Å; K609-A627 WeakPolarHBondContact O-CB 3.43Å; L623-A627 HydrophobicContact CB-CB 3.95Å; L623-A627 HydrophobicContact CD2-CB 4.17Å; L623-A627 HydrophobicContact CG-CB 4.47Å; T624-A627 WeakPolarHBondContact O-CB 3.45Å; T624-A627 PolarHBondContact O-N 2.99Å; T624-A627 PolarHBondContact OG1-N 3.47Å; E625-A627 PolarHBondContact O-N 2.89Å; A627-F630 WeakPolarHBondContact O-CB 3.48Å; A627-F630 PolarHBondContact O-N 3.35Å; A627-C631 PolarHBondContact O-N 3.41Å; A627-C631 PolarHBondContact O-SG 2.93Å
628	M	92.6	Very high	91.1	Very high	59 Å²	59	62 Å²	62	29%	0.291	31%	0.306	S	S	.	.	H	α-helix	trans	-66.4	-40.6	173.7	-68.2	-171.5	-72.3	0	0	112.2	L623 T624 E625 F630 C631 Q632	L623-M628 HydrophobicContact CB-CG 3.81Å; L623-M628 HydrophobicContact CD1-CG 4.43Å; T624-M628 PolarHBondContact O-N 3Å; E625-M628 PolarHBondContact O-N 2.83Å; M628-F630 VanDerWaalsContact C-N 3.3Å; M628-F630 PolarHBondContact O-N 3.32Å; M628-C631 PolarHBondContact O-N 3.36Å; M628-Q632 VanDerWaalsContact O-CG 3.32Å; M628-Q632 WeakPolarHBondContact O-CG 3.45Å; M628-Q632 PolarHBondContact O-N 3.09Å
629	E	90.4	Very high	91.6	Very high	107 Å²	107	62.2 Å²	62.2	50%	0.5	31%	0.312	S	S	.	.	H	α-helix	trans	-58.7	-41.3	171.8	-76.6	-169.3	159.3	0	0	111.6	E625 R633	E625-E629 WeakPolarHBondContact O-CG 3.49Å; E625-E629 PolarHBondContact O-N 2.93Å; E629-R633 WeakPolarHBondContact O-CB 3.32Å; E629-R633 PolarHBondContact O-N 2.99Å
630	F	92.4	Very high	92	Very high	10 Å²	10	62.2 Å²	62.2	4%	0.044	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-48.9	174	-176.3	-77	0	0	0	111.2	L586 I588 Q626 A627 M628 Q632 R633 V634 A655	L586-F630 HydrophobicContact CD2-CE2 4.37Å; L586-F630 HydrophobicContact CD2-CZ 4.09Å; I588-F630 HydrophobicContact CB-CB 4.06Å; I588-F630 HydrophobicContact CB-CD1 3.82Å; I588-F630 HydrophobicContact CB-CD2 4.1Å; I588-F630 HydrophobicContact CB-CE1 4.3Å; I588-F630 HydrophobicContact CB-CG 3.74Å; I588-F630 HydrophobicContact CD1-CB 4.47Å; I588-F630 HydrophobicContact CD1-CD1 3.76Å; I588-F630 HydrophobicContact CD1-CE1 4.4Å; I588-F630 HydrophobicContact CD1-CG 4.35Å; I588-F630 HydrophobicContact CG1-CD1 4.35Å; I588-F630 HydrophobicContact CG2-CD1 3.87Å; I588-F630 HydrophobicContact CG2-CD2 4.23Å; I588-F630 HydrophobicContact CG2-CE1 3.81Å; I588-F630 HydrophobicContact CG2-CE2 4.18Å; I588-F630 HydrophobicContact CG2-CG 4.1Å; I588-F630 HydrophobicContact CG2-CZ 3.98Å; Q626-F630 PolarHBondContact O-N 3.08Å; Q626-F630 VanDerWaalsContact O-N 3.09Å; A627-F630 WeakPolarHBondContact O-CB 3.48Å; A627-F630 PolarHBondContact O-N 3.35Å; M628-F630 VanDerWaalsContact C-N 3.3Å; M628-F630 PolarHBondContact O-N 3.32Å; F630-Q632 PolarHBondContact O-N 2.86Å; F630-R633 PolarHBondContact O-N 3.5Å; F630-V634 HydrophobicContact CD1-CG1 4.24Å; F630-V634 HydrophobicContact CD1-CG2 4.44Å; F630-V634 HydrophobicContact CE1-CG1 3.83Å; F630-V634 HydrophobicContact CE1-CG2 4.33Å; F630-V634 HydrophobicContact CZ-CG1 4.18Å; F630-V634 PolarHBondContact O-N 3.01Å; F630-V634 VanDerWaalsContact O-N 3.14Å; F630-A655 HydrophobicContact CE1-CB 4.07Å; F630-A655 HydrophobicContact CZ-CB 4Å
631	C	93.3	Very high	92.1	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.007	30%	0.302	C	S	.	.	H	α-helix	trans	-56.9	-50.1	179	-66.1	0	0	0	0	111.4	I588 A627 M628 R633 V634 G635 S636	I588-C631 VanDerWaalsContact CD1-SG 3.6Å; A627-C631 PolarHBondContact O-N 3.41Å; A627-C631 PolarHBondContact O-SG 2.93Å; M628-C631 PolarHBondContact O-N 3.36Å; C631-R633 VanDerWaalsContact C-N 3.32Å; C631-R633 PolarHBondContact O-N 2.87Å; C631-V634 VanDerWaalsContact O-CG2 3.22Å; C631-V634 WeakPolarHBondContact O-CG2 3.32Å; C631-V634 PolarHBondContact O-N 3.24Å; C631-V634 VanDerWaalsContact O-N 3.16Å; C631-G635 PolarHBondContact O-N 3.01Å; C631-G635 VanDerWaalsContact O-N 3.11Å; C631-S636 CarbonylContact C-O 3.33Å; C631-S636 WeakPolarHBondContact O-CA 3.46Å; C631-S636 PolarHBondContact O-N 3.24Å
632	Q	92.9	Very high	92.1	Very high	136 Å²	136	59.3 Å²	59.3	64%	0.636	30%	0.298	S	S	*	.	H	α-helix	trans	-59.6	-41.8	178.5	-69.7	172.5	28.8	0	0	112.3	M628 F630 V634 G635 S636	M628-Q632 VanDerWaalsContact O-CG 3.32Å; M628-Q632 WeakPolarHBondContact O-CG 3.45Å; M628-Q632 PolarHBondContact O-N 3.09Å; F630-Q632 PolarHBondContact O-N 2.86Å; Q632-V634 VanDerWaalsContact C-N 3.29Å; Q632-V634 PolarHBondContact O-N 3.09Å; Q632-G635 PolarHBondContact O-N 2.93Å; Q632-G635 VanDerWaalsContact O-N 3.15Å; Q632-S636 WeakPolarHBondContact CA-O 3.21Å; Q632-S636 PolarHBondContact N-O 3.28Å
633	R	92.9	Very high	92.1	Very high	177 Å²	177	59.4 Å²	59.4	67%	0.668	30%	0.295	S	S	*	.	H	α-helix	trans	-64.2	-31.3	178.5	-178.2	178.8	62.8	169.4	1.2	113.2	E629 F630 C631	E629-R633 WeakPolarHBondContact O-CB 3.32Å; E629-R633 PolarHBondContact O-N 2.99Å; F630-R633 PolarHBondContact O-N 3.5Å; C631-R633 VanDerWaalsContact C-N 3.32Å; C631-R633 PolarHBondContact O-N 2.87Å
634	V	93	Very high	92.1	Very high	45 Å²	45	59.2 Å²	59.2	27%	0.273	29%	0.294	S	S	.	.	H	α-helix	trans	-89.8	-4.4	176.4	-54.6	0	0	0	0	113.1	F630 C631 Q632 A651 V652 A655	F630-V634 HydrophobicContact CD1-CG1 4.24Å; F630-V634 HydrophobicContact CD1-CG2 4.44Å; F630-V634 HydrophobicContact CE1-CG1 3.83Å; F630-V634 HydrophobicContact CE1-CG2 4.33Å; F630-V634 HydrophobicContact CZ-CG1 4.18Å; F630-V634 PolarHBondContact O-N 3.01Å; F630-V634 VanDerWaalsContact O-N 3.14Å; C631-V634 VanDerWaalsContact O-CG2 3.22Å; C631-V634 WeakPolarHBondContact O-CG2 3.32Å; C631-V634 PolarHBondContact O-N 3.24Å; C631-V634 VanDerWaalsContact O-N 3.16Å; Q632-V634 VanDerWaalsContact C-N 3.29Å; Q632-V634 PolarHBondContact O-N 3.09Å; V634-A651 HydrophobicContact CG2-CB 4.34Å; V634-V652 HydrophobicContact CG2-CG2 4.1Å; V634-A655 HydrophobicContact CB-CB 4.13Å; V634-A655 HydrophobicContact CG1-CB 3.59Å; V634-A655 HydrophobicContact CG2-CB 4.5Å
635	G	92.6	Very high	92.2	Very high	61 Å²	61	58.5 Å²	58.5	63%	0.629	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.8	1	177.2	0	0	0	0	0	115.3	C631 Q632	C631-G635 PolarHBondContact O-N 3.01Å; C631-G635 VanDerWaalsContact O-N 3.11Å; Q632-G635 PolarHBondContact O-N 2.93Å; Q632-G635 VanDerWaalsContact O-N 3.15Å
636	S	94	Very high	92.4	Very high	7 Å²	7	59.5 Å²	59.5	5%	0.049	30%	0.295	C	S	.	.			trans	-81.3	153.6	173.5	174.5	0	0	0	0	111.9	C631 Q632 A638 D649	C631-S636 CarbonylContact C-O 3.33Å; C631-S636 WeakPolarHBondContact O-CA 3.46Å; C631-S636 PolarHBondContact O-N 3.24Å; Q632-S636 WeakPolarHBondContact CA-O 3.21Å; Q632-S636 PolarHBondContact N-O 3.28Å; S636-A638 WeakPolarHBondContact OG-CB 3.36Å; S636-A638 PolarHBondContact OG-N 2.89Å; S636-D649 WeakPolarHBondContact CB-OD2 3.4Å; S636-D649 PolarHBondContact OG-OD2 3.06Å
637	R	92.8	Very high	92.7	Very high	244 Å²	244	61.6 Å²	61.6	92%	0.921	31%	0.313	S	S	*	.			trans	-111.1	8.3	172.2	-62.1	-175.3	-177.8	-178.8	1.2	112.9	S639	R637-S639 PolarHBondContact O-N 3.09Å
638	A	92.3	Very high	92.7	Very high	10 Å²	10	69.7 Å²	69.7	8%	0.083	34%	0.343	C	S	.	.			trans	-61.1	136.2	-177.3	0	0	0	0	0	111.7	S636 E643 I644	S636-A638 WeakPolarHBondContact OG-CB 3.36Å; S636-A638 PolarHBondContact OG-N 2.89Å; A638-E643 HydrophobicContact CB-CB 3.94Å; A638-I644 HydrophobicContact CB-CD1 4.08Å; A638-I644 HydrophobicContact CB-CG1 3.47Å; A638-I644 VanDerWaalsContact CB-CG1 3.47Å
639	S	92.9	Very high	92.8	Very high	50 Å²	50	68.4 Å²	68.4	35%	0.35	34%	0.338	S	S	.	.			trans	-115.5	-16.8	178.3	64.9	0	0	0	0	112.1	L623 R637 E643	L623-S639 WeakPolarHBondContact CB-O 3.24Å; L623-S639 WeakPolarHBondContact CG-O 3.19Å; L623-S639 PolarHBondContact N-O 2.82Å; R637-S639 PolarHBondContact O-N 3.09Å; S639-E643 WeakPolarHBondContact CA-OE2 3.36Å; S639-E643 PolarHBondContact N-OE2 2.86Å; S639-E643 PolarHBondContact OG-OE2 3.23Å
640	T	94.9	Very high	93	Very high	19 Å²	19	71.4 Å²	71.4	12%	0.117	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-123.8	160.8	176.1	93.6	0	0	0	0	113.5	D621 S642 E643	D621-T640 CarbonylContact O-C 3.55Å; D621-T640 WeakPolarHBondContact O-CA 3.37Å; D621-T640 VanDerWaalsContact O-CB 3.24Å; D621-T640 WeakPolarHBondContact O-CB 3.47Å; D621-T640 WeakPolarHBondContact OD2-CB 3.33Å; D621-T640 PolarHBondContact OD2-OG1 3.43Å; T640-S642 VanDerWaalsContact C-N 3.34Å; T640-S642 PolarHBondContact OG1-N 3.05Å; T640-E643 PolarHBondContact N-OE2 2.81Å; T640-E643 VanDerWaalsContact N-OE2 3.09Å; T640-E643 PolarHBondContact O-N 3.04Å; T640-E643 PolarHBondContact OG1-N 3.16Å
641	V	93.8	Very high	93.1	Very high	4 Å²	4	72.3 Å²	72.3	2%	0.024	36%	0.361	C	S	.	.	H	α-helix	trans	-64.4	-41.4	175.1	178.5	0	0	0	0	110.2	L608 C610 D621 L623 E643 I644 V645	L608-V641 HydrophobicContact CB-CG2 4.27Å; L608-V641 HydrophobicContact CD1-CG1 4.34Å; C610-V641 HydrophobicContact CB-CG2 4.1Å; D621-V641 PolarHBondContact O-N 2.73Å; L623-V641 HydrophobicContact CD2-CG2 3.71Å; V641-E643 VanDerWaalsContact C-N 3.35Å; V641-E643 PolarHBondContact O-N 3.18Å; V641-I644 PolarHBondContact O-N 3.45Å; V641-I644 VanDerWaalsContact O-N 3.08Å; V641-V645 HydrophobicContact CG1-CG2 3.89Å; V641-V645 WeakPolarHBondContact O-CG2 3.49Å; V641-V645 PolarHBondContact O-N 3.03Å
642	S	93.6	Very high	93.2	Very high	33 Å²	33	72.2 Å²	72.2	23%	0.231	36%	0.361	C	S	.	.	H	α-helix	trans	-62.5	-38.5	177.4	-61.2	0	0	0	0	112.6	D621 T640 I644 V645 E646 P647	D621-S642 VanDerWaalsContact CG-OG 3.26Å; D621-S642 WeakPolarHBondContact OD1-CB 3.11Å; D621-S642 PolarHBondContact OD1-N 2.68Å; D621-S642 PolarHBondContact OD1-OG 2.7Å; D621-S642 WeakPolarHBondContact OD2-CB 3.41Å; D621-S642 PolarHBondContact OD2-OG 3.36Å; T640-S642 VanDerWaalsContact C-N 3.34Å; T640-S642 PolarHBondContact OG1-N 3.05Å; S642-I644 PolarHBondContact O-N 3.18Å; S642-V645 PolarHBondContact O-N 3.25Å; S642-E646 WeakPolarHBondContact O-CB 3.37Å; S642-E646 WeakPolarHBondContact O-CG 3.14Å; S642-E646 PolarHBondContact O-N 3.03Å; S642-P647 WeakPolarHBondContact O-CD 3.4Å
643	E	93.8	Very high	93.4	Very high	91 Å²	91	67.4 Å²	67.4	43%	0.425	34%	0.337	S	S	.	.	H	α-helix	trans	-61.4	-23.2	173.1	-72.3	179.3	148.6	0	0	113.6	A638 S639 T640 V641 P647	A638-E643 HydrophobicContact CB-CB 3.94Å; S639-E643 WeakPolarHBondContact CA-OE2 3.36Å; S639-E643 PolarHBondContact N-OE2 2.86Å; S639-E643 PolarHBondContact OG-OE2 3.23Å; T640-E643 PolarHBondContact N-OE2 2.81Å; T640-E643 VanDerWaalsContact N-OE2 3.09Å; T640-E643 PolarHBondContact O-N 3.04Å; T640-E643 PolarHBondContact OG1-N 3.16Å; V641-E643 VanDerWaalsContact C-N 3.35Å; V641-E643 PolarHBondContact O-N 3.18Å; E643-P647 WeakPolarHBondContact O-CD 3.44Å; E643-P647 WeakPolarHBondContact O-CG 3.47Å
644	I	93	Very high	93.6	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-90.1	-50.3	174.8	-64	171.7	0	0	0	110.9	I588 L608 L623 A638 V641 S642 R648 D649 V652 Y653 I679	I588-I644 HydrophobicContact CD1-CD1 4.24Å; L608-I644 HydrophobicContact CD1-CB 4.12Å; L608-I644 HydrophobicContact CD1-CD1 3.6Å; L608-I644 HydrophobicContact CD1-CG1 4.44Å; L608-I644 HydrophobicContact CD1-CG2 3.96Å; L623-I644 HydrophobicContact CD1-CD1 3.64Å; L623-I644 HydrophobicContact CD2-CD1 4.29Å; A638-I644 HydrophobicContact CB-CD1 4.08Å; A638-I644 HydrophobicContact CB-CG1 3.47Å; A638-I644 VanDerWaalsContact CB-CG1 3.47Å; V641-I644 PolarHBondContact O-N 3.45Å; V641-I644 VanDerWaalsContact O-N 3.08Å; S642-I644 PolarHBondContact O-N 3.18Å; I644-R648 CarbonylContact O-C 3.54Å; I644-R648 VanDerWaalsContact O-CA 3.23Å; I644-R648 WeakPolarHBondContact O-CA 3.36Å; I644-R648 PolarHBondContact O-N 3.43Å; I644-D649 HydrophobicContact CG2-CB 4.33Å; I644-D649 PolarHBondContact O-N 3.36Å; I644-V652 HydrophobicContact CD1-CG1 4.39Å; I644-V652 HydrophobicContact CD1-CG2 4.41Å; I644-V652 HydrophobicContact CG1-CG2 4.43Å; I644-V652 HydrophobicContact CG2-CB 4.11Å; I644-V652 HydrophobicContact CG2-CG1 3.84Å; I644-Y653 HydrophobicContact CG2-CE2 4.19Å; I644-I679 HydrophobicContact CG2-CD1 4.48Å
645	V	93.4	Very high	93.7	Very high	20 Å²	20	63.2 Å²	63.2	12%	0.121	32%	0.324	C	S	.	.	H	α-helix	trans	-80.2	-34.9	-165.8	178.6	0	0	0	0	112.6	V641 S642 I679 K681	V641-V645 HydrophobicContact CG1-CG2 3.89Å; V641-V645 WeakPolarHBondContact O-CG2 3.49Å; V641-V645 PolarHBondContact O-N 3.03Å; S642-V645 PolarHBondContact O-N 3.25Å; V645-I679 HydrophobicContact CG2-CB 4.07Å; V645-I679 HydrophobicContact CG2-CG2 3.57Å; V645-K681 HydrophobicContact CG1-CG 3.9Å
646	E	90.3	Very high	93.9	Very high	123 Å²	123	60.3 Å²	60.3	58%	0.575	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-51	-176	-57.1	-159.5	145.4	0	0	114.2	S642 R648 K681	S642-E646 WeakPolarHBondContact O-CB 3.37Å; S642-E646 WeakPolarHBondContact O-CG 3.14Å; S642-E646 PolarHBondContact O-N 3.03Å; E646-R648 PolarHBondContact O-N 2.95Å; E646-K681 IonicContact OE1-NZ 2.79Å; E646-K681 PolarHBondContact OE1-NZ 3.11Å
647	P	91.1	Very high	94.1	Very high	97 Å²	97	63.3 Å²	63.3	63%	0.63	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-7.6	172.4	34.6	-36.2	0	0	0	112.3	S642 E643	S642-P647 WeakPolarHBondContact O-CD 3.4Å; E643-P647 WeakPolarHBondContact O-CD 3.44Å; E643-P647 WeakPolarHBondContact O-CG 3.47Å
648	R	90.9	Very high	94.3	Very high	169 Å²	169	55.4 Å²	55.4	64%	0.638	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	55.1	179.8	-152.9	-176.6	-165.7	171.4	5.3	112.3	I644 E646 E650 Y653	I644-R648 CarbonylContact O-C 3.54Å; I644-R648 VanDerWaalsContact O-CA 3.23Å; I644-R648 WeakPolarHBondContact O-CA 3.36Å; I644-R648 PolarHBondContact O-N 3.43Å; E646-R648 PolarHBondContact O-N 2.95Å; R648-E650 PolarHBondContact O-N 3.37Å; R648-Y653 HydrophobicContact CB-CE2 4.31Å; R648-Y653 HydrophobicContact CG-CD1 3.93Å; R648-Y653 HydrophobicContact CG-CD2 3.94Å; R648-Y653 HydrophobicContact CG-CE1 3.66Å; R648-Y653 HydrophobicContact CG-CE2 3.64Å; R648-Y653 HydrophobicContact CG-CG 4.08Å
649	D	94.7	Very high	94.4	Very high	32 Å²	32	54.9 Å²	54.9	17%	0.171	28%	0.277	C	S	.	.			trans	-40.4	108.8	-172.8	-177.6	-44.1	0	0	0	112.3	S636 I644 A651 V652 Y653	S636-D649 WeakPolarHBondContact CB-OD2 3.4Å; S636-D649 PolarHBondContact OG-OD2 3.06Å; I644-D649 HydrophobicContact CG2-CB 4.33Å; I644-D649 PolarHBondContact O-N 3.36Å; D649-A651 VanDerWaalsContact C-N 3.26Å; D649-A651 PolarHBondContact O-N 3.26Å; D649-A651 WeakPolarHBondContact OD1-CB 2.99Å; D649-A651 PolarHBondContact OD1-N 3.2Å; D649-V652 HydrophobicContact CB-CB 4.29Å; D649-V652 HydrophobicContact CB-CG2 4.34Å; D649-V652 PolarHBondContact O-N 2.93Å; D649-V652 PolarHBondContact OD1-N 3.01Å; D649-V652 VanDerWaalsContact OD1-N 3.09Å; D649-Y653 WeakPolarHBondContact O-CB 3.47Å; D649-Y653 WeakPolarHBondContact O-CD2 3.39Å; D649-Y653 PolarHBondContact O-N 3.44Å
650	E	94.6	Very high	94.6	Very high	170 Å²	170	52.6 Å²	52.6	79%	0.794	26%	0.261	S	S	*	.	H	α-helix	trans	-59.5	-36.9	-171.3	-63.5	-173.8	158	0	0	112.4	R648 Q654	R648-E650 PolarHBondContact O-N 3.37Å; E650-Q654 WeakPolarHBondContact O-CB 3.44Å; E650-Q654 PolarHBondContact O-N 2.89Å
651	A	94.4	Very high	94.6	Very high	29 Å²	29	56.8 Å²	56.8	24%	0.24	28%	0.279	C	S	.	.	H	α-helix	trans	-69.6	-43.5	-178.4	0	0	0	0	0	111.5	V634 D649 A655	V634-A651 HydrophobicContact CG2-CB 4.34Å; D649-A651 VanDerWaalsContact C-N 3.26Å; D649-A651 PolarHBondContact O-N 3.26Å; D649-A651 WeakPolarHBondContact OD1-CB 2.99Å; D649-A651 PolarHBondContact OD1-N 3.2Å; A651-A655 WeakPolarHBondContact O-CB 2.83Å; A651-A655 PolarHBondContact O-N 3.09Å; A651-A655 VanDerWaalsContact O-N 3.08Å
652	V	95.1	Very high	94.6	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-70.9	-43.7	177.1	-178.8	0	0	0	0	111	I588 V634 I644 D649 Q654 A655 I656	I588-V652 HydrophobicContact CD1-CG1 4.14Å; V634-V652 HydrophobicContact CG2-CG2 4.1Å; I644-V652 HydrophobicContact CD1-CG1 4.39Å; I644-V652 HydrophobicContact CD1-CG2 4.41Å; I644-V652 HydrophobicContact CG1-CG2 4.43Å; I644-V652 HydrophobicContact CG2-CB 4.11Å; I644-V652 HydrophobicContact CG2-CG1 3.84Å; D649-V652 HydrophobicContact CB-CB 4.29Å; D649-V652 HydrophobicContact CB-CG2 4.34Å; D649-V652 PolarHBondContact O-N 2.93Å; D649-V652 PolarHBondContact OD1-N 3.01Å; D649-V652 VanDerWaalsContact OD1-N 3.09Å; V652-Q654 PolarHBondContact O-N 3.28Å; V652-A655 PolarHBondContact O-N 2.8Å; V652-I656 HydrophobicContact CG1-CD1 3.88Å; V652-I656 WeakPolarHBondContact O-CG1 3.29Å; V652-I656 PolarHBondContact O-N 2.94Å
653	Y	97.1	Very high	94.4	Very high	35 Å²	35	60.7 Å²	60.7	14%	0.137	29%	0.29	C	S	.	.	H	α-helix	trans	-64.5	-39.5	178.1	-89.7	-103.6	0	0	0	112.1	I644 R648 D649 Q657 W677 I679	I644-Y653 HydrophobicContact CG2-CE2 4.19Å; R648-Y653 HydrophobicContact CB-CE2 4.31Å; R648-Y653 HydrophobicContact CG-CD1 3.93Å; R648-Y653 HydrophobicContact CG-CD2 3.94Å; R648-Y653 HydrophobicContact CG-CE1 3.66Å; R648-Y653 HydrophobicContact CG-CE2 3.64Å; R648-Y653 HydrophobicContact CG-CG 4.08Å; D649-Y653 WeakPolarHBondContact O-CB 3.47Å; D649-Y653 WeakPolarHBondContact O-CD2 3.39Å; D649-Y653 PolarHBondContact O-N 3.44Å; Y653-Q657 WeakPolarHBondContact O-CB 3.4Å; Y653-Q657 PolarHBondContact O-N 3.12Å; Y653-W677 AromaticContact CD1-CH2 3.35Å; Y653-W677 HydrophobicContact CD1-CH2 3.35Å; Y653-W677 HydrophobicContact CD1-CZ2 4.37Å; Y653-W677 AromaticContact CD1-CZ3 3.66Å; Y653-W677 HydrophobicContact CD1-CZ3 3.66Å; Y653-W677 AromaticContact CE1-CH2 3.94Å; Y653-W677 HydrophobicContact CE1-CH2 3.94Å; Y653-W677 AromaticContact CE1-CZ3 3.74Å; Y653-W677 HydrophobicContact CE1-CZ3 3.74Å; Y653-W677 HydrophobicContact CG-CH2 4.02Å; Y653-W677 HydrophobicContact CG-CZ3 4.49Å; Y653-I679 HydrophobicContact CD2-CD1 4.27Å; Y653-I679 HydrophobicContact CE1-CD1 4.16Å; Y653-I679 HydrophobicContact CE2-CD1 3.76Å
654	Q	96.8	Very high	94.1	Very high	119 Å²	119	57.3 Å²	57.3	56%	0.556	28%	0.275	S	S	*	.	H	α-helix	trans	-64.4	-47.1	174.2	-179.2	176.3	-18.3	0	0	111.2	E650 V652 I656 Q657 E658	E650-Q654 WeakPolarHBondContact O-CB 3.44Å; E650-Q654 PolarHBondContact O-N 2.89Å; V652-Q654 PolarHBondContact O-N 3.28Å; Q654-I656 VanDerWaalsContact C-N 3.29Å; Q654-I656 PolarHBondContact O-N 3.11Å; Q654-Q657 WeakPolarHBondContact O-CB 3.5Å; Q654-Q657 PolarHBondContact O-N 3.33Å; Q654-Q657 VanDerWaalsContact O-N 3.09Å; Q654-E658 HydrophobicContact CG-CG 4.36Å; Q654-E658 WeakPolarHBondContact CG-OE1 3.44Å; Q654-E658 PolarHBondContact NE2-OE1 3.5Å; Q654-E658 WeakPolarHBondContact O-CG 3.2Å; Q654-E658 PolarHBondContact O-N 2.88Å
655	A	96.2	Very high	93.4	Very high	15 Å²	15	61.2 Å²	61.2	12%	0.124	31%	0.307	C	S	.	.	H	α-helix	trans	-60.3	-38.5	179	0	0	0	0	0	112.8	F630 V634 A651 V652 G659	F630-A655 HydrophobicContact CE1-CB 4.07Å; F630-A655 HydrophobicContact CZ-CB 4Å; V634-A655 HydrophobicContact CB-CB 4.13Å; V634-A655 HydrophobicContact CG1-CB 3.59Å; V634-A655 HydrophobicContact CG2-CB 4.5Å; A651-A655 WeakPolarHBondContact O-CB 2.83Å; A651-A655 PolarHBondContact O-N 3.09Å; A651-A655 VanDerWaalsContact O-N 3.08Å; V652-A655 PolarHBondContact O-N 2.8Å; A655-G659 PolarHBondContact O-N 3.39Å
656	I	96.9	Very high	92.4	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-66.6	-43.8	173.3	-70	169.3	0	0	0	111	L586 I589 L606 V652 Q654 E658 G659 I660 W677 I679	L586-I656 HydrophobicContact CD1-CB 4.16Å; L586-I656 HydrophobicContact CD1-CG1 4.17Å; L586-I656 HydrophobicContact CD1-CG2 3.91Å; L586-I656 HydrophobicContact CD2-CG1 4.36Å; I589-I656 HydrophobicContact CD1-CD1 4.24Å; L606-I656 HydrophobicContact CD1-CG2 3.75Å; V652-I656 HydrophobicContact CG1-CD1 3.88Å; V652-I656 WeakPolarHBondContact O-CG1 3.29Å; V652-I656 PolarHBondContact O-N 2.94Å; Q654-I656 VanDerWaalsContact C-N 3.29Å; Q654-I656 PolarHBondContact O-N 3.11Å; I656-E658 VanDerWaalsContact C-N 3.33Å; I656-E658 PolarHBondContact O-N 2.71Å; I656-G659 PolarHBondContact O-N 3.14Å; I656-I660 HydrophobicContact CG2-CD1 3.87Å; I656-I660 WeakPolarHBondContact O-CG1 3.41Å; I656-I660 PolarHBondContact O-N 3.2Å; I656-W677 HydrophobicContact CB-CH2 3.94Å; I656-W677 HydrophobicContact CB-CZ2 4.37Å; I656-W677 HydrophobicContact CB-CZ3 4.3Å; I656-W677 HydrophobicContact CG2-CD2 4.15Å; I656-W677 HydrophobicContact CG2-CE3 3.89Å; I656-W677 HydrophobicContact CG2-CH2 3.54Å; I656-W677 HydrophobicContact CG2-CZ2 3.85Å; I656-W677 HydrophobicContact CG2-CZ3 3.58Å; I656-I679 HydrophobicContact CD1-CD1 3.59Å; I656-I679 HydrophobicContact CD1-CG1 4.41Å
657	Q	97.5	Very high	91.5	Very high	70 Å²	70	62.7 Å²	62.7	33%	0.327	32%	0.323	S	S	.	.	H	α-helix	trans	-59.3	-42.7	176.7	-175.1	50.6	74.3	0	0	112.2	Y653 Q654 Q661 W677	Y653-Q657 WeakPolarHBondContact O-CB 3.4Å; Y653-Q657 PolarHBondContact O-N 3.12Å; Q654-Q657 WeakPolarHBondContact O-CB 3.5Å; Q654-Q657 PolarHBondContact O-N 3.33Å; Q654-Q657 VanDerWaalsContact O-N 3.09Å; Q657-Q661 VanDerWaalsContact O-CG 3.28Å; Q657-Q661 WeakPolarHBondContact O-CG 3.47Å; Q657-Q661 PolarHBondContact O-N 3.48Å; Q657-W677 HydrophobicContact CB-CZ2 3.98Å
658	E	96.1	Very high	89.7	Confident	77 Å²	77	62.8 Å²	62.8	36%	0.36	33%	0.331	S	S	.	.	H	α-helix	trans	-69.6	-39	177.2	-68.3	176.4	-170.1	0	0	112	Q654 I656 Q661 R662	Q654-E658 HydrophobicContact CG-CG 4.36Å; Q654-E658 WeakPolarHBondContact CG-OE1 3.44Å; Q654-E658 PolarHBondContact NE2-OE1 3.5Å; Q654-E658 WeakPolarHBondContact O-CG 3.2Å; Q654-E658 PolarHBondContact O-N 2.88Å; I656-E658 VanDerWaalsContact C-N 3.33Å; I656-E658 PolarHBondContact O-N 2.71Å; E658-Q661 WeakPolarHBondContact O-CB 3.32Å; E658-Q661 PolarHBondContact O-N 3.12Å; E658-R662 WeakPolarHBondContact O-CG 3.38Å; E658-R662 PolarHBondContact O-N 3.17Å; E658-R662 PolarHBondContact O-NH1 2.92Å; E658-R662 IonicContact OE2-NH1 2.9Å
659	G	95.6	Very high	88.3	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.5	-44.9	173.9	0	0	0	0	0	112.5	A655 I656 Q661 R662 V663	A655-G659 PolarHBondContact O-N 3.39Å; I656-G659 PolarHBondContact O-N 3.14Å; G659-Q661 VanDerWaalsContact C-N 3.3Å; G659-Q661 PolarHBondContact O-N 3.22Å; G659-R662 PolarHBondContact O-N 3.5Å; G659-R662 VanDerWaalsContact O-N 3.11Å; G659-V663 PolarHBondContact O-N 3.14Å
660	I	96.4	Very high	86.9	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-63.2	-36.6	174.8	-69.2	169.1	0	0	0	111.4	L586 L606 I656 V663 N664 I674 W677	L586-I660 HydrophobicContact CD1-CG1 4.26Å; L606-I660 HydrophobicContact CD1-CD1 4.23Å; I656-I660 HydrophobicContact CG2-CD1 3.87Å; I656-I660 WeakPolarHBondContact O-CG1 3.41Å; I656-I660 PolarHBondContact O-N 3.2Å; I660-V663 PolarHBondContact O-N 2.93Å; I660-N664 WeakPolarHBondContact O-CB 3.2Å; I660-N664 VanDerWaalsContact O-CG 3.25Å; I660-N664 PolarHBondContact O-N 2.84Å; I660-I674 HydrophobicContact CG2-CB 3.89Å; I660-I674 HydrophobicContact CG2-CD1 4.19Å; I660-I674 HydrophobicContact CG2-CG2 4.07Å; I660-W677 HydrophobicContact CD1-CB 4.09Å; I660-W677 HydrophobicContact CD1-CD2 3.81Å; I660-W677 HydrophobicContact CD1-CG 3.48Å; I660-W677 VanDerWaalsContact CD1-CG 3.48Å
661	Q	95.3	Very high	85.5	Confident	108 Å²	108	59.3 Å²	59.3	51%	0.505	32%	0.324	S	S	.	.	H	α-helix	trans	-63.8	-38.9	172.7	-74.9	169	10.7	0	0	112.3	Q657 E658 G659 N664 A665	Q657-Q661 VanDerWaalsContact O-CG 3.28Å; Q657-Q661 WeakPolarHBondContact O-CG 3.47Å; Q657-Q661 PolarHBondContact O-N 3.48Å; E658-Q661 WeakPolarHBondContact O-CB 3.32Å; E658-Q661 PolarHBondContact O-N 3.12Å; G659-Q661 VanDerWaalsContact C-N 3.3Å; G659-Q661 PolarHBondContact O-N 3.22Å; Q661-N664 PolarHBondContact O-N 3.25Å; Q661-A665 WeakPolarHBondContact O-CB 3.43Å; Q661-A665 PolarHBondContact O-N 3.41Å
662	R	94.3	Very high	84.7	Confident	103 Å²	103	61.4 Å²	61.4	39%	0.389	33%	0.326	S	S	.	.	H	α-helix	trans	-67.8	-37.6	174.8	-69	-172.9	-61.1	-88	2.9	112.4	E585 E658 G659 A665 N666	E585-R662 IonicContact OE1-CZ 2.71Å; E585-R662 IonicContact OE1-NE 3.98Å; E585-R662 PolarHBondContact OE1-NE 2.91Å; E585-R662 IonicContact OE1-NH2 2.94Å; E585-R662 PolarHBondContact OE1-NH2 3.36Å; E658-R662 WeakPolarHBondContact O-CG 3.38Å; E658-R662 PolarHBondContact O-N 3.17Å; E658-R662 PolarHBondContact O-NH1 2.92Å; E658-R662 IonicContact OE2-NH1 2.9Å; G659-R662 PolarHBondContact O-N 3.5Å; G659-R662 VanDerWaalsContact O-N 3.11Å; R662-A665 PolarHBondContact O-N 2.71Å; R662-N666 PolarHBondContact O-N 3.22Å; R662-N666 PolarHBondContact O-ND2 3.14Å
663	V	88.7	Confident	84.3	Confident	16 Å²	16	64.3 Å²	64.3	10%	0.097	34%	0.34	C	S	.	.	H	α-helix	trans	-62.6	-48.4	171.4	173	0	0	0	0	110.8	A581 V582 E585 G659 I660 A665 N666 A667	A581-V663 HydrophobicContact CB-CG1 3.9Å; A581-V663 HydrophobicContact CB-CG2 4.37Å; V582-V663 HydrophobicContact CG2-CB 4.39Å; V582-V663 HydrophobicContact CG2-CG1 4.07Å; V582-V663 HydrophobicContact CG2-CG2 4.12Å; E585-V663 HydrophobicContact CB-CG2 3.94Å; E585-V663 HydrophobicContact CG-CG2 4.28Å; G659-V663 PolarHBondContact O-N 3.14Å; I660-V663 PolarHBondContact O-N 2.93Å; V663-A665 VanDerWaalsContact C-N 3.32Å; V663-A665 PolarHBondContact O-N 2.8Å; V663-N666 CarbonylContact O-C 3.56Å; V663-N666 PolarHBondContact O-N 2.98Å; V663-N666 VanDerWaalsContact O-N 3.12Å; V663-A667 PolarHBondContact O-N 3.25Å
664	N	88.3	Confident	84.2	Confident	20 Å²	20	62.9 Å²	62.9	11%	0.107	33%	0.334	C	S	.	.	H	α-helix	trans	-60.4	-38.8	176.9	-72.8	-14.2	0	0	0	112.5	I660 Q661 N666 A667 H673 I674	I660-N664 WeakPolarHBondContact O-CB 3.2Å; I660-N664 VanDerWaalsContact O-CG 3.25Å; I660-N664 PolarHBondContact O-N 2.84Å; Q661-N664 PolarHBondContact O-N 3.25Å; N664-N666 PolarHBondContact O-N 3.26Å; N664-A667 VanDerWaalsContact O-CB 3.27Å; N664-A667 WeakPolarHBondContact O-CB 3.41Å; N664-A667 PolarHBondContact O-N 3.16Å; N664-A667 VanDerWaalsContact O-N 3.1Å; N664-H673 HydrophobicContact CB-CB 4.41Å; N664-H673 PolarHBondContact O-NE2 3.17Å; N664-H673 WeakPolarHBondContact OD1-CA 3.4Å; N664-I674 PolarHBondContact ND2-O 2.94Å; N664-I674 PolarHBondContact OD1-N 3.03Å
665	A	78.4	Confident	84.1	Confident	82 Å²	82	62.9 Å²	62.9	68%	0.678	33%	0.334	S	S	*	.	H	α-helix	trans	-64.8	-23.2	177.8	0	0	0	0	0	113.5	Q661 R662 V663	Q661-A665 WeakPolarHBondContact O-CB 3.43Å; Q661-A665 PolarHBondContact O-N 3.41Å; R662-A665 PolarHBondContact O-N 2.71Å; V663-A665 VanDerWaalsContact C-N 3.32Å; V663-A665 PolarHBondContact O-N 2.8Å
666	N	72.7	Confident	84.1	Confident	142 Å²	142	65.9 Å²	65.9	76%	0.759	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	2.6	175.6	-66.6	-42	0	0	0	113.1	R662 V663 N664	R662-N666 PolarHBondContact O-N 3.22Å; R662-N666 PolarHBondContact O-ND2 3.14Å; V663-N666 CarbonylContact O-C 3.56Å; V663-N666 PolarHBondContact O-N 2.98Å; V663-N666 VanDerWaalsContact O-N 3.12Å; N664-N666 PolarHBondContact O-N 3.26Å
667	A	69.6	Low	84.1	Confident	32 Å²	32	67.4 Å²	67.4	26%	0.264	35%	0.35	S	S	.	.			trans	-74.3	141	-179.5	0	0	0	0	0	111.5	V663 N664 A669	V663-A667 PolarHBondContact O-N 3.25Å; N664-A667 VanDerWaalsContact O-CB 3.27Å; N664-A667 WeakPolarHBondContact O-CB 3.41Å; N664-A667 PolarHBondContact O-N 3.16Å; N664-A667 VanDerWaalsContact O-N 3.1Å; A667-A669 PolarHBondContact O-N 3.47Å
668	A	54.3	Low	84.1	Confident	98 Å²	98	65.1 Å²	65.1	81%	0.81	34%	0.343	S	S	*	.	S	Bend	trans	-63	-27.7	-176.5	0	0	0	0	0	114	Y672	A668-Y672 HydrophobicContact CB-CD2 4.32Å; A668-Y672 HydrophobicContact CB-CE2 4.28Å
669	A	60.4	Low	84.1	Confident	43 Å²	43	61.9 Å²	61.9	36%	0.355	33%	0.328	S	S	.	.	S	Bend	trans	-153	154.7	179.9	0	0	0	0	0	112.2	A667 P671 Y672	A667-A669 PolarHBondContact O-N 3.47Å; A669-P671 VanDerWaalsContact C-CD 3.43Å; A669-Y672 WeakPolarHBondContact O-CB 3.33Å; A669-Y672 PolarHBondContact O-N 3.09Å
670	R	65.3	Low	84.1	Confident	210 Å²	210	62 Å²	62	79%	0.792	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-55.4	-35.7	-179.8	-170	176.7	179.9	177.8	0.4	115.2	Y672 H673	R670-Y672 PolarHBondContact O-N 2.87Å; R670-H673 WeakPolarHBondContact O-CB 3.22Å; R670-H673 PolarHBondContact O-CD2 3.27Å; R670-H673 PolarHBondContact O-N 3.43Å
671	P	66.9	Low	83.9	Confident	45 Å²	45	67.5 Å²	67.5	29%	0.292	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-61.7	-20.7	174	-26.1	37.4	0	0	0	114.1	E571 L602 A669 H673	E571-P671 HydrophobicContact CB-CB 4.16Å; E571-P671 HydrophobicContact CG-CB 3.85Å; E571-P671 HydrophobicContact CG-CG 3.9Å; L602-P671 VanDerWaalsContact CD1-O 3.29Å; L602-P671 WeakPolarHBondContact CD1-O 3.42Å; A669-P671 VanDerWaalsContact C-CD 3.43Å; P671-H673 VanDerWaalsContact C-N 3.27Å; P671-H673 PolarHBondContact O-N 3.3Å
672	Y	76.6	Confident	83.7	Confident	74 Å²	74	71 Å²	71	29%	0.29	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-84.8	3	178.9	-59	-5.3	0	0	0	113	V573 A668 A669 R670	V573-Y672 HydrophobicContact CB-CD1 4.41Å; V573-Y672 HydrophobicContact CB-CE1 4.43Å; V573-Y672 HydrophobicContact CG1-CD1 4.03Å; V573-Y672 HydrophobicContact CG1-CE1 4.39Å; V573-Y672 HydrophobicContact CG2-CD1 3.74Å; V573-Y672 HydrophobicContact CG2-CE1 3.82Å; A668-Y672 HydrophobicContact CB-CD2 4.32Å; A668-Y672 HydrophobicContact CB-CE2 4.28Å; A669-Y672 WeakPolarHBondContact O-CB 3.33Å; A669-Y672 PolarHBondContact O-N 3.09Å; R670-Y672 PolarHBondContact O-N 2.87Å
673	H	87.2	Confident	83.6	Confident	61 Å²	61	67 Å²	67	28%	0.282	35%	0.348	S	S	.	.			trans	-76.9	126.2	179.1	-70.4	-155.2	0	0	0	111.9	N664 R670 P671 Q675	N664-H673 HydrophobicContact CB-CB 4.41Å; N664-H673 PolarHBondContact O-NE2 3.17Å; N664-H673 WeakPolarHBondContact OD1-CA 3.4Å; R670-H673 WeakPolarHBondContact O-CB 3.22Å; R670-H673 PolarHBondContact O-CD2 3.27Å; R670-H673 PolarHBondContact O-N 3.43Å; P671-H673 VanDerWaalsContact C-N 3.27Å; P671-H673 PolarHBondContact O-N 3.3Å; H673-Q675 PolarHBondContact O-N 2.94Å
674	I	94.9	Very high	83.8	Confident	5 Å²	5	66.7 Å²	66.7	3%	0.026	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	115.6	168.5	-54.1	159.1	0	0	0	108.2	I578 V582 L594 M604 I660 N664	I578-I674 HydrophobicContact CG2-CD1 3.79Å; I578-I674 HydrophobicContact CG2-CG1 4.03Å; V582-I674 HydrophobicContact CG2-CD1 3.54Å; L594-I674 HydrophobicContact CD1-CG1 3.9Å; M604-I674 HydrophobicContact CB-CG2 3.96Å; M604-I674 HydrophobicContact CE-CD1 3.56Å; M604-I674 HydrophobicContact CE-CG1 4.18Å; M604-I674 HydrophobicContact SD-CD1 4.09Å; I660-I674 HydrophobicContact CG2-CB 3.89Å; I660-I674 HydrophobicContact CG2-CD1 4.19Å; I660-I674 HydrophobicContact CG2-CG2 4.07Å; N664-I674 PolarHBondContact ND2-O 2.94Å; N664-I674 PolarHBondContact OD1-N 3.03Å
675	Q	93.9	Very high	83.7	Confident	118 Å²	118	66.1 Å²	66.1	55%	0.551	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	-29.2	-178.2	-63.1	-169.2	22.6	0	0	113.8	F601 L602 H673	F601-Q675 HydrophobicContact CB-CB 4.3Å; F601-Q675 HydrophobicContact CB-CG 3.94Å; F601-Q675 VanDerWaalsContact CB-NE2 3.31Å; F601-Q675 HydrophobicContact CD2-CB 3.79Å; F601-Q675 HydrophobicContact CD2-CG 4.38Å; F601-Q675 HydrophobicContact CE2-CB 4.36Å; F601-Q675 HydrophobicContact CG-CB 4.12Å; F601-Q675 HydrophobicContact CG-CG 4.27Å; L602-Q675 PolarHBondContact O-N 3.27Å; H673-Q675 PolarHBondContact O-N 2.94Å
676	K	96.2	Very high	83.7	Confident	78 Å²	78	65.1 Å²	65.1	34%	0.339	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	150.8	179.5	-66.2	-170.1	179.2	-176.8	0	111	F601 S603 M604 F713	F601-K676 HydrophobicContact CE2-CB 4.26Å; F601-K676 HydrophobicContact CE2-CD 3.93Å; F601-K676 HydrophobicContact CE2-CG 3.94Å; F601-K676 HydrophobicContact CZ-CD 3.92Å; F601-K676 HydrophobicContact CZ-CG 4.33Å; S603-K676 CarbonylContact C-O 3.56Å; S603-K676 WeakPolarHBondContact CA-O 3.4Å; S603-K676 WeakPolarHBondContact CB-O 3.44Å; M604-K676 PolarHBondContact N-O 3.31Å; K676-F713 HydrophobicContact CB-CB 4.28Å; K676-F713 HydrophobicContact CB-CD1 3.7Å; K676-F713 HydrophobicContact CB-CE1 4.2Å; K676-F713 HydrophobicContact CB-CG 4.07Å; K676-F713 HydrophobicContact CD-CB 3.93Å; K676-F713 HydrophobicContact CD-CD1 4.12Å; K676-F713 HydrophobicContact CD-CG 4.42Å; K676-F713 VanDerWaalsContact CD-O 3.31Å; K676-F713 WeakPolarHBondContact CD-O 3.32Å; K676-F713 WeakPolarHBondContact CE-O 3.34Å; K676-F713 PolarHBondContact NZ-O 2.95Å
677	W	97.5	Very high	84	Confident	33 Å²	33	62.6 Å²	62.6	13%	0.125	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	161.3	178.2	55.5	-86.9	0	0	0	111.4	M604 L606 Y653 I656 Q657 I660 I679	M604-W677 HydrophobicContact CB-CB 4.23Å; M604-W677 CarbonylContact O-C 3.6Å; M604-W677 WeakPolarHBondContact O-CA 3.39Å; M604-W677 WeakPolarHBondContact O-CB 3.22Å; L606-W677 HydrophobicContact CD1-CB 4.47Å; L606-W677 HydrophobicContact CD1-CD2 4.33Å; L606-W677 HydrophobicContact CD1-CE3 3.82Å; L606-W677 HydrophobicContact CD1-CZ3 4.49Å; Y653-W677 AromaticContact CD1-CH2 3.35Å; Y653-W677 HydrophobicContact CD1-CH2 3.35Å; Y653-W677 HydrophobicContact CD1-CZ2 4.37Å; Y653-W677 AromaticContact CD1-CZ3 3.66Å; Y653-W677 HydrophobicContact CD1-CZ3 3.66Å; Y653-W677 AromaticContact CE1-CH2 3.94Å; Y653-W677 HydrophobicContact CE1-CH2 3.94Å; Y653-W677 AromaticContact CE1-CZ3 3.74Å; Y653-W677 HydrophobicContact CE1-CZ3 3.74Å; Y653-W677 HydrophobicContact CG-CH2 4.02Å; Y653-W677 HydrophobicContact CG-CZ3 4.49Å; I656-W677 HydrophobicContact CB-CH2 3.94Å; I656-W677 HydrophobicContact CB-CZ2 4.37Å; I656-W677 HydrophobicContact CB-CZ3 4.3Å; I656-W677 HydrophobicContact CG2-CD2 4.15Å; I656-W677 HydrophobicContact CG2-CE3 3.89Å; I656-W677 HydrophobicContact CG2-CH2 3.54Å; I656-W677 HydrophobicContact CG2-CZ2 3.85Å; I656-W677 HydrophobicContact CG2-CZ3 3.58Å; Q657-W677 HydrophobicContact CB-CZ2 3.98Å; I660-W677 HydrophobicContact CD1-CB 4.09Å; I660-W677 HydrophobicContact CD1-CD2 3.81Å; I660-W677 HydrophobicContact CD1-CG 3.48Å; I660-W677 VanDerWaalsContact CD1-CG 3.48Å; W677-I679 HydrophobicContact CE3-CG1 4.27Å; W677-I679 HydrophobicContact CZ3-CD1 4.02Å; W677-I679 HydrophobicContact CZ3-CG1 3.84Å
678	A	96.9	Very high	84.6	Confident	21 Å²	21	62.3 Å²	62.3	17%	0.174	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	147	174.1	0	0	0	0	0	110.6	M604 L605 L606 I709 F713	M604-A678 PolarHBondContact O-N 2.54Å; L605-A678 HydrophobicContact CD2-CB 4.38Å; L606-A678 PolarHBondContact N-O 3.06Å; A678-I709 HydrophobicContact CB-CG2 3.8Å; A678-F713 HydrophobicContact CB-CE1 3.92Å; A678-F713 HydrophobicContact CB-CZ 3.59Å
679	I	96.9	Very high	85.9	Confident	10 Å²	10	58.5 Å²	58.5	5%	0.051	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.9	172.2	-53.2	170.9	0	0	0	108.1	L606 L608 I644 V645 Y653 I656 W677	L606-I679 HydrophobicContact CB-CG1 4.4Å; L606-I679 CarbonylContact O-C 3.45Å; L606-I679 WeakPolarHBondContact O-CA 3.36Å; L608-I679 HydrophobicContact CD1-CG2 4.09Å; L608-I679 HydrophobicContact CD2-CD1 4.35Å; L608-I679 HydrophobicContact CD2-CG2 3.8Å; L608-I679 HydrophobicContact CG-CG2 3.67Å; I644-I679 HydrophobicContact CG2-CD1 4.48Å; V645-I679 HydrophobicContact CG2-CB 4.07Å; V645-I679 HydrophobicContact CG2-CG2 3.57Å; Y653-I679 HydrophobicContact CD2-CD1 4.27Å; Y653-I679 HydrophobicContact CE1-CD1 4.16Å; Y653-I679 HydrophobicContact CE2-CD1 3.76Å; I656-I679 HydrophobicContact CD1-CD1 3.59Å; I656-I679 HydrophobicContact CD1-CG1 4.41Å; W677-I679 HydrophobicContact CE3-CG1 4.27Å; W677-I679 HydrophobicContact CZ3-CD1 4.02Å; W677-I679 HydrophobicContact CZ3-CG1 3.84Å
680	L	95.8	Very high	87.2	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.016	27%	0.273	C	S	.	.			trans	-85.9	147.3	176.6	-60	178.3	0	0	0	110.7	L605 L606 T607 R682 F684 Y706 I709	L605-L680 HydrophobicContact CB-CD1 4.17Å; L605-L680 HydrophobicContact CB-CG 4.43Å; L605-L680 HydrophobicContact CD1-CD1 4.36Å; L605-L680 HydrophobicContact CD2-CD2 4.08Å; L606-L680 PolarHBondContact O-N 2.82Å; T607-L680 HydrophobicContact CG2-CB 4.28Å; T607-L680 HydrophobicContact CG2-CD1 4.08Å; L680-R682 PolarHBondContact O-N 2.86Å; L680-F684 HydrophobicContact CD1-CE1 3.53Å; L680-F684 HydrophobicContact CD1-CZ 4.01Å; L680-Y706 HydrophobicContact CD1-CD1 4.28Å; L680-Y706 HydrophobicContact CD1-CD2 4.22Å; L680-Y706 HydrophobicContact CD1-CE1 3.95Å; L680-Y706 HydrophobicContact CD1-CE2 3.9Å; L680-Y706 HydrophobicContact CD1-CG 4.38Å; L680-Y706 HydrophobicContact CD2-CD1 3.58Å; L680-Y706 HydrophobicContact CD2-CE1 3.72Å; L680-Y706 HydrophobicContact CD2-CG 4.12Å; L680-Y706 HydrophobicContact CG-CE1 4.33Å; L680-I709 HydrophobicContact CD2-CD1 3.68Å
681	K	92.1	Very high	87.9	Confident	115 Å²	115	47.5 Å²	47.5	50%	0.5	24%	0.24	S	C	.	.	S	Bend	trans	-68.9	-9.9	-179.8	-67.8	-164.9	175.5	-164.5	0	115.1	V645 E646	V645-K681 HydrophobicContact CG1-CG 3.9Å; E646-K681 IonicContact OE1-NZ 2.79Å; E646-K681 PolarHBondContact OE1-NZ 3.11Å
682	R	90.4	Very high	88.1	Confident	182 Å²	182	45.5 Å²	45.5	69%	0.687	23%	0.227	S	C	*	.	S	Bend	trans	-145	150.5	179.7	-67.8	-170.8	179.6	-173.1	-1.4	109.6	T607 L680	T607-R682 WeakPolarHBondContact CG2-O 3.24Å; L680-R682 PolarHBondContact O-N 2.86Å
683	D	93.3	Very high	87.2	Confident	19 Å²	19	44 Å²	44	10%	0.102	23%	0.227	C	C	.	.			trans	-74.5	162.9	169.1	-159.6	10.2	0	0	0	111.6	S590 S591 T607 P619	S590-D683 WeakPolarHBondContact CB-OD2 3.16Å; S590-D683 PolarHBondContact OG-OD1 2.89Å; S590-D683 PolarHBondContact OG-OD2 3.34Å; S591-D683 PolarHBondContact OG-OD1 3.08Å; T607-D683 VanDerWaalsContact CB-OD1 3.22Å; T607-D683 WeakPolarHBondContact CB-OD1 3.44Å; T607-D683 PolarHBondContact OG1-OD1 3.49Å; P619-D683 HydrophobicContact CB-CB 3.95Å; P619-D683 HydrophobicContact CG-CB 3.96Å
684	F	92.2	Very high	85.9	Confident	9 Å²	9	43 Å²	43	4%	0.039	23%	0.225	C	C	.	.			trans	-73.9	134.9	179.6	-64.6	-26.1	0	0	0	111.1	S591 M593 T607 L680 E690 L691 L697 V702 Y706	S591-F684 WeakPolarHBondContact OG-CD2 3.32Å; M593-F684 HydrophobicContact CB-CE2 4.42Å; T607-F684 HydrophobicContact CG2-CD1 4.02Å; T607-F684 HydrophobicContact CG2-CE1 3.97Å; T607-F684 HydrophobicContact CG2-CE2 4.46Å; T607-F684 HydrophobicContact CG2-CG 4.31Å; T607-F684 HydrophobicContact CG2-CZ 4.2Å; L680-F684 HydrophobicContact CD1-CE1 3.53Å; L680-F684 HydrophobicContact CD1-CZ 4.01Å; F684-E690 HydrophobicContact CB-CB 3.76Å; F684-E690 HydrophobicContact CB-CG 4.4Å; F684-E690 HydrophobicContact CD1-CB 3.73Å; F684-E690 HydrophobicContact CD1-CG 3.59Å; F684-E690 HydrophobicContact CE1-CB 4.48Å; F684-E690 HydrophobicContact CE1-CG 4.16Å; F684-E690 HydrophobicContact CG-CB 3.81Å; F684-E690 HydrophobicContact CG-CG 4.21Å; F684-L691 HydrophobicContact CB-CD1 4.42Å; F684-L691 HydrophobicContact CB-CD2 3.97Å; F684-L691 HydrophobicContact CB-CG 4Å; F684-L691 WeakPolarHBondContact O-CD1 3.49Å; F684-L697 HydrophobicContact CD2-CD1 3.51Å; F684-L697 HydrophobicContact CE2-CD1 3.55Å; F684-L697 HydrophobicContact CG-CD1 4.32Å; F684-L697 HydrophobicContact CZ-CD1 4.38Å; F684-V702 HydrophobicContact CE1-CG1 4.01Å; F684-V702 HydrophobicContact CE1-CG2 4.5Å; F684-V702 HydrophobicContact CZ-CG1 3.81Å; F684-Y706 AromaticContact CE1-CE2 4Å; F684-Y706 HydrophobicContact CE1-CE2 4Å
685	S	86.9	Confident	84.5	Confident	9 Å²	9	46.9 Å²	46.9	6%	0.063	24%	0.244	C	C	.	.			trans	-134.8	170.1	179.7	87.3	0	0	0	0	113.1	E618 S687 G688 G689 E690 L691	E618-S685 PolarHBondContact OE1-OG 3.22Å; E618-S685 VanDerWaalsContact OE2-CB 3.27Å; E618-S685 WeakPolarHBondContact OE2-CB 3.48Å; E618-S685 PolarHBondContact OE2-OG 3.12Å; S685-S687 PolarHBondContact OG-N 3.38Å; S685-G688 PolarHBondContact OG-N 2.61Å; S685-G689 PolarHBondContact O-N 3.45Å; S685-E690 PolarHBondContact N-OE2 3.35Å; S685-E690 PolarHBondContact O-N 3.1Å; S685-L691 PolarHBondContact O-N 3.45Å
686	I	77.4	Confident	83.3	Confident	60 Å²	60	46 Å²	46	31%	0.308	24%	0.238	S	C	.	.	S	Bend	trans	-71.8	-42.2	175.1	-64.4	178.7	0	0	0	110.1	G689 L691 M695	I686-G689 PolarHBondContact O-N 3.48Å; I686-L691 HydrophobicContact CG1-CB 4.14Å; I686-M695 HydrophobicContact CD1-SD 3.53Å; I686-M695 VanDerWaalsContact CD1-SD 3.53Å; I686-M695 HydrophobicContact CG1-SD 3.7Å
687	S	79.1	Confident	82.5	Confident	90 Å²	90	44.7 Å²	44.7	63%	0.629	24%	0.235	S	C	*	.	S	Bend	trans	-78.1	-29.5	-178.1	84.4	0	0	0	0	112.9	E618 S685 G689	E618-S687 WeakPolarHBondContact OE1-CB 3.45Å; E618-S687 PolarHBondContact OE1-OG 3.32Å; E618-S687 PolarHBondContact OE2-OG 2.85Å; S685-S687 PolarHBondContact OG-N 3.38Å; S687-G689 PolarHBondContact O-N 3.21Å
688	G	82.3	Confident	81.6	Confident	26 Å²	26	46.7 Å²	46.7	27%	0.268	24%	0.244	S	C	.	.	S	Bend	trans	-64.7	-17.6	168.3	0	0	0	0	0	113.2	S685 E690 K705	S685-G688 PolarHBondContact OG-N 2.61Å; G688-E690 WeakPolarHBondContact CA-OE2 3.2Å; G688-K705 PolarHBondContact O-NZ 3.09Å
689	G	82.2	Confident	81.1	Confident	17 Å²	17	47.3 Å²	47.3	18%	0.175	24%	0.242	C	C	.	.	S	Bend	trans	91.8	-12.7	173	0	0	0	0	0	114.6	S685 I686 S687 L691 K698	S685-G689 PolarHBondContact O-N 3.45Å; I686-G689 PolarHBondContact O-N 3.48Å; S687-G689 PolarHBondContact O-N 3.21Å; G689-L691 VanDerWaalsContact C-N 3.28Å; G689-L691 PolarHBondContact O-N 3.13Å; G689-K698 WeakPolarHBondContact O-CD 3.27Å; G689-K698 PolarHBondContact O-NZ 3.08Å
690	E	88.1	Confident	80.3	Confident	5 Å²	5	50.4 Å²	50.4	2%	0.023	26%	0.258	C	S	.	.	S	Bend	trans	-65.8	-30.5	-179.6	-55.3	92.1	166.9	0	0	112.2	F684 S685 G688 K698 V702 K705 Y706	F684-E690 HydrophobicContact CB-CB 3.76Å; F684-E690 HydrophobicContact CB-CG 4.4Å; F684-E690 HydrophobicContact CD1-CB 3.73Å; F684-E690 HydrophobicContact CD1-CG 3.59Å; F684-E690 HydrophobicContact CE1-CB 4.48Å; F684-E690 HydrophobicContact CE1-CG 4.16Å; F684-E690 HydrophobicContact CG-CB 3.81Å; F684-E690 HydrophobicContact CG-CG 4.21Å; S685-E690 PolarHBondContact N-OE2 3.35Å; S685-E690 PolarHBondContact O-N 3.1Å; G688-E690 WeakPolarHBondContact CA-OE2 3.2Å; E690-K698 PolarHBondContact O-N 2.92Å; E690-V702 HydrophobicContact CB-CG2 3.69Å; E690-V702 HydrophobicContact CG-CG2 3.84Å; E690-K705 HydrophobicContact CG-CD 4.33Å; E690-K705 WeakPolarHBondContact OE1-CE 3.43Å; E690-K705 IonicContact OE1-NZ 3.14Å; E690-K705 PolarHBondContact OE1-NZ 3.1Å; E690-K705 IonicContact OE2-NZ 2.74Å; E690-Y706 HydrophobicContact CG-CE2 4.28Å; E690-Y706 PolarHBondContact OE1-OH 2.82Å; E690-Y706 VanDerWaalsContact OE1-OH 3.13Å
691	L	79	Confident	79.7	Confident	18 Å²	18	52.8 Å²	52.8	9%	0.094	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-104.7	146.3	174.7	-54.2	-176.6	0	0	0	111.8	F684 S685 I686 G689 M695 K696 L697 K698	F684-L691 HydrophobicContact CB-CD1 4.42Å; F684-L691 HydrophobicContact CB-CD2 3.97Å; F684-L691 HydrophobicContact CB-CG 4Å; F684-L691 WeakPolarHBondContact O-CD1 3.49Å; S685-L691 PolarHBondContact O-N 3.45Å; I686-L691 HydrophobicContact CG1-CB 4.14Å; G689-L691 VanDerWaalsContact C-N 3.28Å; G689-L691 PolarHBondContact O-N 3.13Å; L691-M695 HydrophobicContact CD1-CE 4.18Å; L691-M695 HydrophobicContact CD1-SD 3.98Å; L691-K696 CarbonylContact C-O 3.58Å; L691-K696 WeakPolarHBondContact CA-O 3.28Å; L691-L697 HydrophobicContact CD2-CB 4.5Å; L691-L697 HydrophobicContact CD2-CD1 4.26Å; L691-K698 WeakPolarHBondContact O-CE 3.44Å; L691-K698 PolarHBondContact O-NZ 3.28Å
692	G	70.9	Confident	79.6	Confident	3 Å²	3	47.3 Å²	47.3	3%	0.031	25%	0.249	C	C	.	.			trans	-79.7	169.6	165.8	0	0	0	0	0	112.4	T694 M695 K696	G692-T694 PolarHBondContact O-N 3.47Å; G692-M695 WeakPolarHBondContact O-CA 3.42Å; G692-M695 PolarHBondContact O-N 2.95Å; G692-K696 PolarHBondContact N-O 3.2Å
693	P	58.6	Low	79.4	Confident	42 Å²	42	41.3 Å²	41.3	27%	0.273	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-23.2	178.2	-27.4	36	0	0	0	114.8	Y183 M695	Y183-P693 HydrophobicContact CD1-CB 3.71Å; Y183-P693 HydrophobicContact CD2-CB 4.41Å; Y183-P693 HydrophobicContact CD2-CG 4.46Å; Y183-P693 HydrophobicContact CE1-CB 3.99Å; Y183-P693 HydrophobicContact CG-CB 3.94Å; Y183-P693 HydrophobicContact CG-CG 4.32Å; P693-M695 VanDerWaalsContact C-N 3.34Å
694	T	59.2	Low	79.1	Confident	41 Å²	41	47.5 Å²	47.5	25%	0.252	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	17.3	175.9	55.6	0	0	0	0	113.7	Y183 G692 K696	Y183-T694 HydrophobicContact CE1-CG2 4.37Å; G692-T694 PolarHBondContact O-N 3.47Å; T694-K696 PolarHBondContact O-N 2.88Å
695	M	64.8	Low	79.2	Confident	85 Å²	85	52 Å²	52	42%	0.419	28%	0.278	S	S	.	.	S	Bend	trans	59	20.3	-175.8	-58.6	-68.5	-93.9	0	0	114.8	I686 L691 G692 P693	I686-M695 HydrophobicContact CD1-SD 3.53Å; I686-M695 VanDerWaalsContact CD1-SD 3.53Å; I686-M695 HydrophobicContact CG1-SD 3.7Å; L691-M695 HydrophobicContact CD1-CE 4.18Å; L691-M695 HydrophobicContact CD1-SD 3.98Å; G692-M695 WeakPolarHBondContact O-CA 3.42Å; G692-M695 PolarHBondContact O-N 2.95Å; P693-M695 VanDerWaalsContact C-N 3.34Å
696	K	68.5	Low	79.6	Confident	100 Å²	100	53.1 Å²	53.1	44%	0.435	28%	0.281	S	S	.	.			trans	-84.4	138.1	174.3	-68.6	-173.2	176.3	-169	0	111.8	A447 L691 G692 T694 K698	A447-K696 WeakPolarHBondContact O-CE 3.37Å; A447-K696 PolarHBondContact O-NZ 3.21Å; L691-K696 CarbonylContact C-O 3.58Å; L691-K696 WeakPolarHBondContact CA-O 3.28Å; G692-K696 PolarHBondContact N-O 3.2Å; T694-K696 PolarHBondContact O-N 2.88Å; K696-K698 PolarHBondContact O-N 3.38Å
697	L	80	Confident	80.2	Confident	50 Å²	50	55.5 Å²	55.5	26%	0.262	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-65	124.9	177.2	-174.7	65.4	0	0	0	112.4	M593 F684 L691 R699 V702	M593-L697 HydrophobicContact CB-CD2 4.17Å; M593-L697 HydrophobicContact CG-CD2 4.04Å; M593-L697 HydrophobicContact SD-CD2 3.96Å; F684-L697 HydrophobicContact CD2-CD1 3.51Å; F684-L697 HydrophobicContact CE2-CD1 3.55Å; F684-L697 HydrophobicContact CG-CD1 4.32Å; F684-L697 HydrophobicContact CZ-CD1 4.38Å; L691-L697 HydrophobicContact CD2-CB 4.5Å; L691-L697 HydrophobicContact CD2-CD1 4.26Å; L697-R699 HydrophobicContact CD2-CG 4.18Å; L697-R699 HydrophobicContact CG-CG 4.36Å; L697-R699 PolarHBondContact O-N 3.11Å; L697-V702 HydrophobicContact CD1-CG2 3.88Å
698	K	79.7	Confident	80.9	Confident	75 Å²	75	57.8 Å²	57.8	33%	0.326	30%	0.295	S	S	.	.			trans	-89.4	77.4	171.3	-62.2	-170.8	-157.6	134.1	0	110.4	G689 E690 L691 K696 L700 T701 V702	G689-K698 WeakPolarHBondContact O-CD 3.27Å; G689-K698 PolarHBondContact O-NZ 3.08Å; E690-K698 PolarHBondContact O-N 2.92Å; L691-K698 WeakPolarHBondContact O-CE 3.44Å; L691-K698 PolarHBondContact O-NZ 3.28Å; K696-K698 PolarHBondContact O-N 3.38Å; K698-L700 VanDerWaalsContact C-N 3.32Å; K698-L700 PolarHBondContact O-N 3.16Å; K698-L700 VanDerWaalsContact O-N 3.14Å; K698-T701 WeakPolarHBondContact O-CB 3.42Å; K698-T701 PolarHBondContact O-N 3.15Å; K698-V702 PolarHBondContact O-N 3.06Å; K698-V702 VanDerWaalsContact O-N 3.11Å
699	R	86.6	Confident	81.4	Confident	35 Å²	35	59.6 Å²	59.6	13%	0.132	30%	0.298	C	S	.	.	H	α-helix	trans	-42.7	-51.8	-176.2	-72	-175.9	138.1	99.9	12.3	114	E563 P575 E579 M593 L697 T701 V702 L703	E563-R699 IonicContact OE2-CZ 3.87Å; E563-R699 IonicContact OE2-NH1 2.6Å; E563-R699 PolarHBondContact OE2-NH1 2.8Å; P575-R699 VanDerWaalsContact CB-NH2 3.33Å; P575-R699 VanDerWaalsContact CG-CZ 3.49Å; E579-R699 IonicContact OE1-CZ 3.52Å; E579-R699 IonicContact OE1-NH2 2.81Å; E579-R699 PolarHBondContact OE1-NH2 2.94Å; E579-R699 IonicContact OE2-CZ 2.85Å; E579-R699 IonicContact OE2-NH2 3.56Å; E579-R699 PolarHBondContact OE2-NH2 3.39Å; M593-R699 HydrophobicContact CE-CB 3.81Å; M593-R699 HydrophobicContact CE-CG 3.96Å; M593-R699 HydrophobicContact SD-CG 4.47Å; L697-R699 HydrophobicContact CD2-CG 4.18Å; L697-R699 HydrophobicContact CG-CG 4.36Å; L697-R699 PolarHBondContact O-N 3.11Å; R699-T701 PolarHBondContact O-N 3.41Å; R699-V702 PolarHBondContact O-N 2.72Å; R699-V702 VanDerWaalsContact O-N 3.13Å; R699-L703 WeakPolarHBondContact O-CG 3.47Å; R699-L703 PolarHBondContact O-N 3.17Å
700	L	79.4	Confident	81.9	Confident	75 Å²	75	59 Å²	59	39%	0.393	29%	0.29	S	S	.	.	H	α-helix	trans	-62.6	-42.7	-177.9	-64.8	-177.3	0	0	0	112.8	T281 K698 V702 L703 E704	T281-L700 HydrophobicContact CG2-CD1 3.54Å; K698-L700 VanDerWaalsContact C-N 3.32Å; K698-L700 PolarHBondContact O-N 3.16Å; K698-L700 VanDerWaalsContact O-N 3.14Å; L700-V702 VanDerWaalsContact C-N 3.26Å; L700-V702 PolarHBondContact O-N 3.37Å; L700-L703 HydrophobicContact CD2-CD1 4.06Å; L700-L703 PolarHBondContact O-N 3.04Å; L700-E704 WeakPolarHBondContact O-CG 3.36Å; L700-E704 PolarHBondContact O-N 2.91Å
701	T	82.9	Confident	82	Confident	53 Å²	53	60.4 Å²	60.4	33%	0.325	30%	0.298	S	S	.	.	H	α-helix	trans	-60.4	-36.6	174.4	-51.7	0	0	0	0	111.7	K698 R699 K705	K698-T701 WeakPolarHBondContact O-CB 3.42Å; K698-T701 PolarHBondContact O-N 3.15Å; R699-T701 PolarHBondContact O-N 3.41Å; T701-K705 WeakPolarHBondContact O-CB 3.31Å; T701-K705 PolarHBondContact O-N 3.01Å
702	V	90.3	Very high	82.6	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-71.7	-39.8	175.7	-178.9	0	0	0	0	111.4	M593 L605 F684 E690 L697 K698 R699 L700 E704 K705 Y706	M593-V702 HydrophobicContact CE-CB 4.47Å; M593-V702 HydrophobicContact SD-CB 3.73Å; M593-V702 HydrophobicContact SD-CG1 3.48Å; M593-V702 WeakPolarHBondContact SD-CG1 3.23Å; M593-V702 HydrophobicContact SD-CG2 4.45Å; L605-V702 HydrophobicContact CD1-CG1 4.21Å; F684-V702 HydrophobicContact CE1-CG1 4.01Å; F684-V702 HydrophobicContact CE1-CG2 4.5Å; F684-V702 HydrophobicContact CZ-CG1 3.81Å; E690-V702 HydrophobicContact CB-CG2 3.69Å; E690-V702 HydrophobicContact CG-CG2 3.84Å; L697-V702 HydrophobicContact CD1-CG2 3.88Å; K698-V702 PolarHBondContact O-N 3.06Å; K698-V702 VanDerWaalsContact O-N 3.11Å; R699-V702 PolarHBondContact O-N 2.72Å; R699-V702 VanDerWaalsContact O-N 3.13Å; L700-V702 VanDerWaalsContact C-N 3.26Å; L700-V702 PolarHBondContact O-N 3.37Å; V702-E704 VanDerWaalsContact C-N 3.32Å; V702-E704 PolarHBondContact O-N 3.47Å; V702-K705 PolarHBondContact O-N 3.1Å; V702-Y706 HydrophobicContact CB-CD2 4.49Å; V702-Y706 HydrophobicContact CG1-CD2 3.61Å; V702-Y706 HydrophobicContact CG1-CE2 3.97Å; V702-Y706 WeakPolarHBondContact O-CD2 3.4Å; V702-Y706 PolarHBondContact O-N 3.03Å
703	L	86.9	Confident	83.6	Confident	56 Å²	56	62.8 Å²	62.8	29%	0.293	32%	0.317	S	S	.	.	H	α-helix	trans	-60.5	-40.2	173.8	-67.8	-178	0	0	0	112.3	M593 I595 R699 L700 K707 I710	M593-L703 HydrophobicContact CE-CD2 3.69Å; M593-L703 HydrophobicContact CE-CG 3.87Å; I595-L703 HydrophobicContact CD1-CD2 4.35Å; I595-L703 HydrophobicContact CG1-CD2 3.89Å; I595-L703 HydrophobicContact CG2-CD2 4.14Å; R699-L703 WeakPolarHBondContact O-CG 3.47Å; R699-L703 PolarHBondContact O-N 3.17Å; L700-L703 HydrophobicContact CD2-CD1 4.06Å; L700-L703 PolarHBondContact O-N 3.04Å; L703-K707 WeakPolarHBondContact O-CA 3.26Å; L703-K707 PolarHBondContact O-N 3.15Å; L703-I710 HydrophobicContact CD2-CD1 3.71Å
704	E	86.9	Confident	84.8	Confident	148 Å²	148	62.5 Å²	62.5	69%	0.692	31%	0.311	S	S	*	.	H	α-helix	trans	-70.1	-48.9	175.6	-71.1	174	170.4	0	0	111.5	L700 V702 Y706 K707	L700-E704 WeakPolarHBondContact O-CG 3.36Å; L700-E704 PolarHBondContact O-N 2.91Å; V702-E704 VanDerWaalsContact C-N 3.32Å; V702-E704 PolarHBondContact O-N 3.47Å; E704-Y706 VanDerWaalsContact C-N 3.35Å; E704-Y706 PolarHBondContact O-N 2.97Å; E704-K707 WeakPolarHBondContact O-CB 3.33Å; E704-K707 PolarHBondContact O-N 3.48Å
705	K	93.3	Very high	86.1	Confident	104 Å²	104	66.9 Å²	66.9	45%	0.452	33%	0.328	S	S	.	.	H	α-helix	trans	-63.7	-35.2	-175.8	-173.1	174.5	-171.2	178.2	0	113.6	G688 E690 T701 V702	G688-K705 PolarHBondContact O-NZ 3.09Å; E690-K705 HydrophobicContact CG-CD 4.33Å; E690-K705 WeakPolarHBondContact OE1-CE 3.43Å; E690-K705 IonicContact OE1-NZ 3.14Å; E690-K705 PolarHBondContact OE1-NZ 3.1Å; E690-K705 IonicContact OE2-NZ 2.74Å; T701-K705 WeakPolarHBondContact O-CB 3.31Å; T701-K705 PolarHBondContact O-N 3.01Å; V702-K705 PolarHBondContact O-N 3.1Å
706	Y	94.7	Very high	85.7	Confident	33 Å²	33	69.8 Å²	69.8	13%	0.129	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	18.6	-178.9	-59.3	-75.6	0	0	0	113.2	L605 L680 F684 E690 V702 E704 D708 I709 I710	L605-Y706 HydrophobicContact CD1-CD2 4.2Å; L605-Y706 HydrophobicContact CD1-CG 4.14Å; L680-Y706 HydrophobicContact CD1-CD1 4.28Å; L680-Y706 HydrophobicContact CD1-CD2 4.22Å; L680-Y706 HydrophobicContact CD1-CE1 3.95Å; L680-Y706 HydrophobicContact CD1-CE2 3.9Å; L680-Y706 HydrophobicContact CD1-CG 4.38Å; L680-Y706 HydrophobicContact CD2-CD1 3.58Å; L680-Y706 HydrophobicContact CD2-CE1 3.72Å; L680-Y706 HydrophobicContact CD2-CG 4.12Å; L680-Y706 HydrophobicContact CG-CE1 4.33Å; F684-Y706 AromaticContact CE1-CE2 4Å; F684-Y706 HydrophobicContact CE1-CE2 4Å; E690-Y706 HydrophobicContact CG-CE2 4.28Å; E690-Y706 PolarHBondContact OE1-OH 2.82Å; E690-Y706 VanDerWaalsContact OE1-OH 3.13Å; V702-Y706 HydrophobicContact CB-CD2 4.49Å; V702-Y706 HydrophobicContact CG1-CD2 3.61Å; V702-Y706 HydrophobicContact CG1-CE2 3.97Å; V702-Y706 WeakPolarHBondContact O-CD2 3.4Å; V702-Y706 PolarHBondContact O-N 3.03Å; E704-Y706 VanDerWaalsContact C-N 3.35Å; E704-Y706 PolarHBondContact O-N 2.97Å; Y706-D708 PolarHBondContact O-N 2.92Å; Y706-D708 VanDerWaalsContact O-N 3.09Å; Y706-I709 HydrophobicContact CD1-CD1 4.01Å; Y706-I709 PolarHBondContact O-N 3.36Å; Y706-I710 WeakPolarHBondContact O-CG1 3.32Å; Y706-I710 PolarHBondContact O-N 3.39Å; Y706-I710 VanDerWaalsContact O-N 3.11Å
707	K	91.1	Very high	84.6	Confident	109 Å²	109	73.7 Å²	73.7	47%	0.474	36%	0.361	S	S	.	.	H	α-helix	trans	-44.8	-45.4	-176.3	179.5	176	173.6	53.1	0	113.7	L703 E704 I709 I710 D711	L703-K707 WeakPolarHBondContact O-CA 3.26Å; L703-K707 PolarHBondContact O-N 3.15Å; E704-K707 WeakPolarHBondContact O-CB 3.33Å; E704-K707 PolarHBondContact O-N 3.48Å; K707-I709 PolarHBondContact O-N 3.27Å; K707-I710 PolarHBondContact O-N 2.93Å; K707-D711 WeakPolarHBondContact CE-OD2 3.33Å; K707-D711 WeakPolarHBondContact CG-OD2 3.35Å; K707-D711 IonicContact NZ-OD2 2.65Å; K707-D711 PolarHBondContact NZ-OD2 2.94Å; K707-D711 WeakPolarHBondContact O-CB 3.34Å; K707-D711 PolarHBondContact O-N 2.97Å
708	D	93	Very high	82.4	Confident	139 Å²	139	81.1 Å²	81.1	74%	0.743	39%	0.391	S	S	*	.	H	α-helix	trans	-63.8	-40	-177.4	-59.8	-31.3	0	0	0	112.7	Y706 I710 A712	Y706-D708 PolarHBondContact O-N 2.92Å; Y706-D708 VanDerWaalsContact O-N 3.09Å; D708-I710 VanDerWaalsContact C-N 3.35Å; D708-A712 VanDerWaalsContact O-CB 3.3Å; D708-A712 WeakPolarHBondContact O-CB 3.38Å; D708-A712 PolarHBondContact O-N 2.83Å
709	I	93.2	Very high	80.2	Confident	64 Å²	64	90 Å²	90	33%	0.328	43%	0.433	S	S	.	.	H	α-helix	trans	-66.7	-41.6	176	-56.1	178.7	0	0	0	109.8	L605 A678 L680 Y706 K707 A712 F713	L605-I709 HydrophobicContact CD2-CG2 3.91Å; A678-I709 HydrophobicContact CB-CG2 3.8Å; L680-I709 HydrophobicContact CD2-CD1 3.68Å; Y706-I709 HydrophobicContact CD1-CD1 4.01Å; Y706-I709 PolarHBondContact O-N 3.36Å; K707-I709 PolarHBondContact O-N 3.27Å; I709-A712 PolarHBondContact O-N 3.38Å; I709-F713 HydrophobicContact CG2-CZ 4.28Å; I709-F713 PolarHBondContact O-N 2.95Å
710	I	92.3	Very high	79.9	Confident	4 Å²	4	92.7 Å²	92.7	2%	0.021	45%	0.448	C	S	.	.	H	α-helix	trans	-67.9	-48.3	-178.7	-60.5	175	0	0	0	110.6	I595 L605 L703 Y706 K707 D708 A712 F713 Y714	I595-I710 HydrophobicContact CD1-CD1 3.64Å; I595-I710 HydrophobicContact CD1-CG1 3.68Å; I595-I710 HydrophobicContact CD1-CG2 4.28Å; I595-I710 HydrophobicContact CG2-CG2 3.92Å; L605-I710 HydrophobicContact CD1-CD1 4.09Å; L605-I710 HydrophobicContact CD1-CG1 4.12Å; L703-I710 HydrophobicContact CD2-CD1 3.71Å; Y706-I710 WeakPolarHBondContact O-CG1 3.32Å; Y706-I710 PolarHBondContact O-N 3.39Å; Y706-I710 VanDerWaalsContact O-N 3.11Å; K707-I710 PolarHBondContact O-N 2.93Å; D708-I710 VanDerWaalsContact C-N 3.35Å; I710-A712 VanDerWaalsContact C-N 3.28Å; I710-A712 PolarHBondContact O-N 3.08Å; I710-F713 VanDerWaalsContact O-CB 3.29Å; I710-F713 WeakPolarHBondContact O-CB 3.4Å; I710-F713 PolarHBondContact O-N 3.33Å; I710-Y714 HydrophobicContact CG2-CD2 4.43Å; I710-Y714 HydrophobicContact CG2-CE2 4.14Å; I710-Y714 WeakPolarHBondContact O-CD2 3.34Å
711	D	89.9	Confident	79.9	Confident	34 Å²	34	93.6 Å²	93.6	18%	0.182	45%	0.451	C	S	.	.	H	α-helix	trans	-66.5	-31.2	179.6	-76.8	-28.2	0	0	0	111.2	R599 K707 F713 Y714 Q715	R599-D711 IonicContact CZ-OD1 3.99Å; R599-D711 VanDerWaalsContact CZ-OD1 3.31Å; R599-D711 IonicContact NH1-OD1 2.83Å; R599-D711 PolarHBondContact NH1-OD1 3.46Å; R599-D711 IonicContact NH2-OD1 2.69Å; R599-D711 PolarHBondContact NH2-OD1 3.49Å; K707-D711 WeakPolarHBondContact CE-OD2 3.33Å; K707-D711 WeakPolarHBondContact CG-OD2 3.35Å; K707-D711 IonicContact NZ-OD2 2.65Å; K707-D711 PolarHBondContact NZ-OD2 2.94Å; K707-D711 WeakPolarHBondContact O-CB 3.34Å; K707-D711 PolarHBondContact O-N 2.97Å; D711-F713 PolarHBondContact O-N 3.27Å; D711-Y714 CarbonylContact O-C 3.55Å; D711-Y714 PolarHBondContact O-N 3.48Å; D711-Q715 WeakPolarHBondContact O-CG 3.35Å; D711-Q715 PolarHBondContact O-N 3.42Å
712	A	92.6	Very high	79.7	Confident	54 Å²	54	95.9 Å²	95.9	45%	0.446	46%	0.458	S	S	.	.	H	α-helix	trans	-62.4	-23.4	170.2	0	0	0	0	0	114.1	D708 I709 I710 Y714	D708-A712 VanDerWaalsContact O-CB 3.3Å; D708-A712 WeakPolarHBondContact O-CB 3.38Å; D708-A712 PolarHBondContact O-N 2.83Å; I709-A712 PolarHBondContact O-N 3.38Å; I710-A712 VanDerWaalsContact C-N 3.28Å; I710-A712 PolarHBondContact O-N 3.08Å; A712-Y714 VanDerWaalsContact C-N 3.34Å
713	F	91	Very high	79.1	Confident	18 Å²	18	101.5 Å²	101.5	8%	0.079	49%	0.485	C	S	.	.	H	α-helix	trans	-67.3	-35.8	168.5	-61.4	-42.6	0	0	0	112	F601 S603 L605 K676 A678 I709 I710 D711	F601-F713 WeakPolarHBondContact CZ-O 3.4Å; S603-F713 VanDerWaalsContact CB-CD2 3.46Å; S603-F713 VanDerWaalsContact OG-CD2 3.27Å; S603-F713 WeakPolarHBondContact OG-CD2 3.37Å; L605-F713 HydrophobicContact CD2-CE2 4.1Å; L605-F713 HydrophobicContact CD2-CZ 4.24Å; K676-F713 HydrophobicContact CB-CB 4.28Å; K676-F713 HydrophobicContact CB-CD1 3.7Å; K676-F713 HydrophobicContact CB-CE1 4.2Å; K676-F713 HydrophobicContact CB-CG 4.07Å; K676-F713 HydrophobicContact CD-CB 3.93Å; K676-F713 HydrophobicContact CD-CD1 4.12Å; K676-F713 HydrophobicContact CD-CG 4.42Å; K676-F713 VanDerWaalsContact CD-O 3.31Å; K676-F713 WeakPolarHBondContact CD-O 3.32Å; K676-F713 WeakPolarHBondContact CE-O 3.34Å; K676-F713 PolarHBondContact NZ-O 2.95Å; A678-F713 HydrophobicContact CB-CE1 3.92Å; A678-F713 HydrophobicContact CB-CZ 3.59Å; I709-F713 HydrophobicContact CG2-CZ 4.28Å; I709-F713 PolarHBondContact O-N 2.95Å; I710-F713 VanDerWaalsContact O-CB 3.29Å; I710-F713 WeakPolarHBondContact O-CB 3.4Å; I710-F713 PolarHBondContact O-N 3.33Å; D711-F713 PolarHBondContact O-N 3.27Å
714	Y	85.2	Confident	78.6	Confident	36 Å²	36	104.4 Å²	104.4	14%	0.141	50%	0.497	C	S	.	.	H	α-helix	trans	-103.3	-8.6	-169.4	-60.7	-70.3	0	0	0	114.7	R599 F601 S603 I710 D711 A712 E716	R599-Y714 HydrophobicContact CB-CD1 3.97Å; R599-Y714 HydrophobicContact CB-CE1 3.47Å; R599-Y714 VanDerWaalsContact CB-CE1 3.47Å; R599-Y714 HydrophobicContact CB-CE2 4.24Å; R599-Y714 HydrophobicContact CG-CD1 4.27Å; R599-Y714 HydrophobicContact CG-CD2 4.08Å; R599-Y714 HydrophobicContact CG-CE1 3.9Å; R599-Y714 HydrophobicContact CG-CE2 3.73Å; R599-Y714 HydrophobicContact CG-CG 4.35Å; F601-Y714 HydrophobicContact CD1-CE1 4.33Å; F601-Y714 HydrophobicContact CD2-CD1 4.37Å; F601-Y714 AromaticContact CD2-CE1 3.56Å; F601-Y714 HydrophobicContact CD2-CE1 3.56Å; F601-Y714 HydrophobicContact CE1-CD1 4.01Å; F601-Y714 HydrophobicContact CE1-CE1 4.13Å; F601-Y714 AromaticContact CE2-CD1 3.81Å; F601-Y714 HydrophobicContact CE2-CD1 3.81Å; F601-Y714 AromaticContact CE2-CE1 3.31Å; F601-Y714 HydrophobicContact CE2-CE1 3.31Å; F601-Y714 HydrophobicContact CG-CE1 4.07Å; F601-Y714 AromaticContact CZ-CD1 3.61Å; F601-Y714 HydrophobicContact CZ-CD1 3.61Å; F601-Y714 AromaticContact CZ-CE1 3.63Å; F601-Y714 HydrophobicContact CZ-CE1 3.63Å; F601-Y714 WeakPolarHBondContact O-CE1 3.42Å; F601-Y714 PolarHBondContact O-OH 2.65Å; S603-Y714 VanDerWaalsContact CB-OH 3.29Å; S603-Y714 WeakPolarHBondContact CB-OH 3.46Å; S603-Y714 PolarHBondContact N-OH 2.99Å; S603-Y714 PolarHBondContact OG-OH 3.46Å; I710-Y714 HydrophobicContact CG2-CD2 4.43Å; I710-Y714 HydrophobicContact CG2-CE2 4.14Å; I710-Y714 WeakPolarHBondContact O-CD2 3.34Å; D711-Y714 CarbonylContact O-C 3.55Å; D711-Y714 PolarHBondContact O-N 3.48Å; A712-Y714 VanDerWaalsContact C-N 3.34Å; Y714-E716 PolarHBondContact O-N 3.42Å
715	Q	85	Confident	78	Confident	133 Å²	133	101.5 Å²	101.5	62%	0.621	48%	0.484	S	S	*	.	S	Bend	trans	-61.8	127.8	165.6	-75	173.3	15.6	0	0	109.9	D711 Q717	D711-Q715 WeakPolarHBondContact O-CG 3.35Å; D711-Q715 PolarHBondContact O-N 3.42Å; Q715-Q717 PolarHBondContact O-N 2.82Å
716	E	57.2	Low	77	Confident	146 Å²	146	101.3 Å²	101.3	68%	0.682	49%	0.486	S	S	*	.			trans	-68.1	123.3	171.1	-75.5	171.3	-175.2	0	0	108.7	K600 Y714 K718	K600-E716 IonicContact NZ-OE1 2.72Å; K600-E716 PolarHBondContact NZ-OE1 3.34Å; Y714-E716 PolarHBondContact O-N 3.42Å; E716-K718 VanDerWaalsContact C-N 3.31Å; E716-K718 PolarHBondContact O-N 3.35Å
717	Q	45.7	Very low	75.6	Confident	182 Å²	182	106.5 Å²	106.5	85%	0.85	51%	0.514	S	S	*	.			trans	-63.2	100.5	160.4	-80.6	-177.3	-28.4	0	0	107	Q715 Q719	Q715-Q717 PolarHBondContact O-N 2.82Å; Q717-Q719 PolarHBondContact O-N 2.91Å
718	K	33.7	Very low	74.3	Confident	205 Å²	205	106.3 Å²	106.3	89%	0.891	52%	0.517	S	S	*	.			trans	-59.9	108.5	157.7	-73.9	-176.6	175.5	-179.7	0	106.6	E716	E716-K718 VanDerWaalsContact C-N 3.31Å; E716-K718 PolarHBondContact O-N 3.35Å
719	Q	32.9	Very low	72.6	Confident	261 Å²	261	103.4 Å²	103.4	100%	1.22	50%	0.497	S	S	*	.			trans	-63.9	0	166.1	-71.2	-176.4	-30.5	0	0	110.1	Q717	Q717-Q719 PolarHBondContact O-N 2.91Å

Retrieved 719 of 719 residues in 213.6 ms (Link to these results)

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