A0A077Z3I8_TRITR Loading...

Vacuolar fusion protein MON1 homolog

Plays an important role in membrane trafficking through the secretory apparatus.

AlphaFold DB , UniProt , Accession A0A077Z3I8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 519 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	26.9	Very low	26.5	Very low	245 Å²	245	142.8 Å²	142.8	100%	1.207	82%	0.818	S	S	*	*				0	115.7	0	-163.4	170.1	169	0	0	106.5
2	T	26.9	Very low	26	Very low	128 Å²	128	141.3 Å²	141.3	79%	0.785	81%	0.813	S	S	*	*			trans	-33.5	139.1	-178.9	-36.1	0	0	0	0	115.3
3	L	27.6	Very low	25.8	Very low	141 Å²	141	141.6 Å²	141.6	74%	0.738	81%	0.811	S	S	*	*				176.1	122.1	127.4	-100.9	146	0	0	0	112.6	M5	L3-M5 HydrophobicContact CD2-CG 4.38Å
4	L	32.7	Very low	25.7	Very low	158 Å²	158	142.7 Å²	142.7	83%	0.827	81%	0.812	S	S	*	*			trans	149.2	81.4	140.3	-78.9	159.9	0	0	0	106.9
5	M	26.5	Very low	25.3	Very low	155 Å²	155	144.5 Å²	144.5	76%	0.764	82%	0.817	S	S	*	*				61.7	99.4	86.8	-66.4	-111.3	150.7	0	0	110.3	L3	L3-M5 HydrophobicContact CD2-CG 4.38Å
6	A	23.8	Very low	25.2	Very low	76 Å²	76	148.9 Å²	148.9	63%	0.628	82%	0.818	S	S	*	*				93.8	134.6	71.4	0	0	0	0	0	111.7
7	D	24.4	Very low	25	Very low	157 Å²	157	151.5 Å²	151.5	84%	0.84	82%	0.82	S	S	*	*			trans	81.8	99.5	156.7	-55.2	-19.9	0	0	0	119.4
8	A	29.4	Very low	24.7	Very low	98 Å²	98	152.7 Å²	152.7	81%	0.81	82%	0.816	S	S	*	*				-164.9	95	111.6	0	0	0	0	0	110.4
9	D	22	Very low	24.6	Very low	158 Å²	158	154.7 Å²	154.7	85%	0.845	82%	0.82	S	S	*	*			trans	-62.9	125.2	156.9	-83.2	-45.2	0	0	0	109.5
10	V	28.3	Very low	24.5	Very low	138 Å²	138	154.1 Å²	154.1	84%	0.836	82%	0.817	S	S	*	*			trans	-134.7	111.8	148.2	-177.5	0	0	0	0	108.3
11	T	23.1	Very low	24.6	Very low	117 Å²	117	152.4 Å²	152.4	72%	0.718	82%	0.817	S	S	*	*			trans	-44.4	140	177.4	42	0	0	0	0	116.4	D13	T11-D13 PolarHBondContact O-N 2.8Å
12	T	20.1	Very low	24.3	Very low	124 Å²	124	150.1 Å²	150.1	76%	0.761	80%	0.801	S	S	*	*			trans	-31.2	122	141.8	45.3	0	0	0	0	114.1
13	D	24.1	Very low	24.2	Very low	146 Å²	146	151.8 Å²	151.8	78%	0.781	80%	0.804	S	S	*	*				178.9	116.4	129.9	-95.7	-24.5	0	0	0	108.9	T11	T11-D13 PolarHBondContact O-N 2.8Å
14	L	24.4	Very low	24.1	Very low	157 Å²	157	151.2 Å²	151.2	82%	0.822	81%	0.806	S	S	*	*			trans	-174.8	68.9	143.2	-95.6	162	0	0	0	108.2	Y16	L14-Y16 HydrophobicContact CD2-CD2 4Å; L14-Y16 PolarHBondContact O-N 3.13Å
15	L	19.8	Very low	23.8	Very low	170 Å²	170	151.1 Å²	151.1	89%	0.89	81%	0.807	S	S	*	*			trans	-67.3	107.5	148.8	-87.5	155.6	0	0	0	107.5
16	Y	23.4	Very low	23.9	Very low	215 Å²	215	151.8 Å²	151.8	84%	0.843	81%	0.808	S	S	*	*			trans	-124.9	134	157.2	-110.1	-90.1	0	0	0	111.3	L14	L14-Y16 HydrophobicContact CD2-CD2 4Å; L14-Y16 PolarHBondContact O-N 3.13Å
17	K	21.2	Very low	24.3	Very low	193 Å²	193	153.6 Å²	153.6	84%	0.839	81%	0.813	S	S	*	*			trans	-76.1	143.7	-168.7	-71.4	167.4	171.1	172.8	0	112.3
18	K	19.9	Very low	24.5	Very low	173 Å²	173	150.1 Å²	150.1	75%	0.752	80%	0.801	S	S	*	*			trans	10.8	116.3	131.5	-164.6	-178.8	-172.6	-176.9	0	116.9
19	E	23.8	Very low	24.9	Very low	190 Å²	190	150.4 Å²	150.4	89%	0.888	80%	0.797	S	S	*	*			trans	-137	127	144.2	-85.7	-170.3	162.8	0	0	110.7
20	D	21	Very low	25.5	Very low	143 Å²	143	146.3 Å²	146.3	77%	0.765	78%	0.781	S	S	*	*			trans	-70	124.5	166.3	-71.1	-65.4	0	0	0	109.3
21	S	27	Very low	25.6	Very low	118 Å²	118	145.8 Å²	145.8	83%	0.825	77%	0.772	S	S	*	*			trans	-153.5	124.8	147.7	52.4	0	0	0	0	111.3
22	K	20.1	Very low	25.9	Very low	197 Å²	197	146.3 Å²	146.3	86%	0.857	77%	0.77	S	S	*	*			trans	-57.5	137.8	164.4	-63.7	169	174.9	177.6	0	108.6
23	L	26.2	Very low	26.4	Very low	163 Å²	163	143 Å²	143	85%	0.853	76%	0.755	S	S	*	*				-172	136.9	118.8	-95.5	158.9	0	0	0	108.9	D25	L23-D25 PolarHBondContact O-N 3.14Å
24	V	24.5	Very low	26.7	Very low	130 Å²	130	142.1 Å²	142.1	79%	0.788	75%	0.751	S	S	*	*			trans	-65.8	112.2	172.5	172.5	0	0	0	0	107
25	D	27.2	Very low	26.9	Very low	156 Å²	156	141.2 Å²	141.2	83%	0.834	74%	0.744	S	S	*	*			trans	-111.5	117.4	156.3	-85.3	-35.6	0	0	0	107.1	L23	L23-D25 PolarHBondContact O-N 3.14Å
26	E	29.2	Very low	27.2	Very low	169 Å²	169	137.1 Å²	137.1	79%	0.79	73%	0.729	S	S	*	*			trans	-51.3	152.4	170.5	-75	-178.3	144.5	0	0	110.6	S28	E26-S28 PolarHBondContact O-N 3.18Å
27	P	31.4	Very low	27.4	Very low	113 Å²	113	134.2 Å²	134.2	73%	0.734	73%	0.728	S	S	*	*			trans	-57.4	114.6	-175.9	-16.7	28.8	0	0	0	109.6	S29	P27-S29 PolarHBondContact O-N 2.79Å
28	S	29.4	Very low	27.7	Very low	84 Å²	84	131.5 Å²	131.5	59%	0.587	72%	0.721	S	S	*	*			trans	-43.2	135.2	169.5	50.8	0	0	0	0	110.1	E26 S30	E26-S28 PolarHBondContact O-N 3.18Å; S28-S30 PolarHBondContact O-N 2.85Å; S28-S30 PolarHBondContact O-OG 3.41Å; S28-S30 PolarHBondContact OG-OG 2.81Å
29	S	35.9	Very low	27.9	Very low	104 Å²	104	128.1 Å²	128.1	73%	0.727	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	19.2	-179.8	51.3	0	0	0	0	116.5	P27	P27-S29 PolarHBondContact O-N 2.79Å
30	S	35.2	Very low	28.1	Very low	72 Å²	72	124.1 Å²	124.1	50%	0.503	71%	0.71	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.3	-31.6	171.7	51.8	0	0	0	0	112.9	S28 L32 A33	S28-S30 PolarHBondContact O-N 2.85Å; S28-S30 PolarHBondContact O-OG 3.41Å; S28-S30 PolarHBondContact OG-OG 2.81Å; S30-L32 VanDerWaalsContact C-N 3.32Å; S30-L32 PolarHBondContact O-N 3.23Å; S30-A33 PolarHBondContact O-N 3.32Å
31	L	30.6	Very low	28.3	Very low	127 Å²	127	122.1 Å²	122.1	67%	0.665	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-23.1	-180	-86.9	161	0	0	0	113.9
32	L	29.5	Very low	28.3	Very low	129 Å²	129	123.2 Å²	123.2	68%	0.675	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-19.2	174.7	-75.9	169.1	0	0	0	112.9	S30 M35	S30-L32 VanDerWaalsContact C-N 3.32Å; S30-L32 PolarHBondContact O-N 3.23Å; L32-M35 PolarHBondContact O-N 3.28Å
33	A	30.6	Very low	28.5	Very low	53 Å²	53	122.4 Å²	122.4	44%	0.438	71%	0.707	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.3	-37.7	178.7	0	0	0	0	0	111.6	S30 M35 S36	S30-A33 PolarHBondContact O-N 3.32Å; A33-M35 VanDerWaalsContact C-N 3.26Å; A33-M35 PolarHBondContact O-N 3.44Å; A33-S36 PolarHBondContact O-N 3.19Å; A33-S36 PolarHBondContact O-OG 2.15Å
34	D	31.1	Very low	28.5	Very low	129 Å²	129	119.1 Å²	119.1	69%	0.69	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-72.3	-17.5	178.9	-76.7	-20.3	0	0	0	113.6
35	M	28.3	Very low	28.4	Very low	138 Å²	138	118.8 Å²	118.8	68%	0.68	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-81.8	-13.9	174.5	-64.9	-162.6	76.3	0	0	113.4	L32 A33 L37 I38	L32-M35 PolarHBondContact O-N 3.28Å; A33-M35 VanDerWaalsContact C-N 3.26Å; A33-M35 PolarHBondContact O-N 3.44Å; M35-L37 VanDerWaalsContact C-N 3.32Å; M35-L37 PolarHBondContact O-N 2.8Å; M35-I38 PolarHBondContact O-N 2.88Å
36	S	26.8	Very low	28.1	Very low	83 Å²	83	122.1 Å²	122.1	58%	0.58	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-80.3	-8.8	-177.5	69.2	0	0	0	0	114.7	A33	A33-S36 PolarHBondContact O-N 3.19Å; A33-S36 PolarHBondContact O-OG 2.15Å
37	L	27.7	Very low	27.8	Very low	155 Å²	155	119 Å²	119	81%	0.812	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-91.3	2.2	174.4	-71	170.4	0	0	0	113.5	M35	M35-L37 VanDerWaalsContact C-N 3.32Å; M35-L37 PolarHBondContact O-N 2.8Å
38	I	26.9	Very low	27.4	Very low	135 Å²	135	121.1 Å²	121.1	69%	0.692	70%	0.703	S	S	*	*			trans	-124.8	73.8	175.5	-48.9	176.8	0	0	0	108.6	M35	M35-I38 PolarHBondContact O-N 2.88Å
39	S	24.1	Very low	27	Very low	102 Å²	102	123.6 Å²	123.6	71%	0.713	71%	0.709	S	S	*	*			trans	-130.5	94.3	165.5	63.7	0	0	0	0	111
40	P	27.8	Very low	26.3	Very low	107 Å²	107	126.4 Å²	126.4	70%	0.695	72%	0.715	S	S	*	*	S	Bend	trans	-88.6	121.7	131.4	26.2	-12.8	0	0	0	107.7
41	S	25.9	Very low	25.8	Very low	100 Å²	100	131 Å²	131	70%	0.699	73%	0.728	S	S	*	*			trans	-7.2	119.7	168.7	50.2	0	0	0	0	116.7	E43	S41-E43 PolarHBondContact O-N 2.92Å
42	V	25.7	Very low	25.5	Very low	142 Å²	142	132 Å²	132	86%	0.861	73%	0.734	S	S	*	*	S	Bend	trans	-68.5	63.6	176.2	-173.6	0	0	0	0	111.6
43	E	25.3	Very low	25.5	Very low	179 Å²	179	130.9 Å²	130.9	84%	0.836	74%	0.743	S	S	*	*			trans	-123.5	11.7	178	-105.3	175.2	174.1	0	0	114.8	S41	S41-E43 PolarHBondContact O-N 2.92Å
44	A	24.7	Very low	25	Very low	94 Å²	94	136 Å²	136	78%	0.777	76%	0.758	S	S	*	*			trans	-139.7	43.8	177.3	0	0	0	0	0	114.3
45	V	23.2	Very low	24.7	Very low	123 Å²	123	137.4 Å²	137.4	75%	0.745	76%	0.76	S	S	*	*			trans	-99.1	76.2	154.8	-174.4	0	0	0	0	107	C47	V45-C47 PolarHBondContact O-N 3.18Å
46	R	21.7	Very low	24.6	Very low	226 Å²	226	139.6 Å²	139.6	85%	0.853	77%	0.774	S	S	*	*			trans	-87.7	95.7	163.7	-81.7	-173.5	177.9	176.8	-0.2	107.3	L48	R46-L48 PolarHBondContact O-N 3.41Å
47	C	22.3	Very low	24.4	Very low	103 Å²	103	143.8 Å²	143.8	70%	0.696	78%	0.784	S	S	*	*			trans	-56.3	109.6	157.9	-63.1	0	0	0	0	106.7	V45 N49	V45-C47 PolarHBondContact O-N 3.18Å; C47-N49 VanDerWaalsContact C-N 3.27Å; C47-N49 PolarHBondContact O-N 3.09Å
48	L	22.1	Very low	24.2	Very low	158 Å²	158	143.6 Å²	143.6	83%	0.827	78%	0.784	S	S	*	*			trans	-71.5	90	173.3	-74.2	166.6	0	0	0	107.3	R46 I50	R46-L48 PolarHBondContact O-N 3.41Å; L48-I50 PolarHBondContact O-N 3.03Å
49	N	21.1	Very low	24.2	Very low	137 Å²	137	145.3 Å²	145.3	73%	0.733	79%	0.794	S	S	*	*			trans	-65.2	117.7	161.7	-79.8	-0.2	0	0	0	107.5	C47 E51	C47-N49 VanDerWaalsContact C-N 3.27Å; C47-N49 PolarHBondContact O-N 3.09Å; N49-E51 PolarHBondContact O-N 3.06Å
50	I	23	Very low	24.2	Very low	163 Å²	163	145.4 Å²	145.4	84%	0.836	80%	0.795	S	S	*	*			trans	-81	89.4	173.5	-59.3	172.5	0	0	0	105.9	L48	L48-I50 PolarHBondContact O-N 3.03Å
51	E	24.7	Very low	24	Very low	167 Å²	167	145.6 Å²	145.6	78%	0.78	80%	0.799	S	S	*	*			trans	-105.7	113.6	161.7	-75.7	-175.8	173.6	0	0	108.4	N49	N49-E51 PolarHBondContact O-N 3.06Å
52	D	24	Very low	24.1	Very low	149 Å²	149	149.2 Å²	149.2	80%	0.797	81%	0.81	S	S	*	*			trans	34.4	96.6	150.6	-56.2	-28.2	0	0	0	118.5
53	A	28	Very low	23.9	Very low	105 Å²	105	149 Å²	149	87%	0.868	81%	0.813	S	S	*	*			trans	-108.7	70.7	154.6	0	0	0	0	0	109.2
54	E	21.7	Very low	23.7	Very low	161 Å²	161	143.4 Å²	143.4	75%	0.752	80%	0.804	S	S	*	*			trans	-72.6	148	152.8	-69.8	-170.2	151.7	0	0	109
55	H	23.8	Very low	23.7	Very low	159 Å²	159	147 Å²	147	74%	0.736	81%	0.81	S	S	*	*			trans	81.8	84.8	177.6	-58.9	-65.7	0	0	0	118.3
56	L	26.2	Very low	23.9	Very low	183 Å²	183	145.9 Å²	145.9	96%	0.958	81%	0.813	S	S	*	*			trans	-138.2	96.3	132.7	-75.4	178.7	0	0	0	109.3
57	Q	22.5	Very low	24.1	Very low	171 Å²	171	145.4 Å²	145.4	80%	0.799	82%	0.818	S	S	*	*			trans	-75.9	144	160.6	-82.7	175.3	-25.1	0	0	109.4
58	D	23.6	Very low	24.2	Very low	151 Å²	151	148.9 Å²	148.9	81%	0.807	82%	0.824	S	S	*	*			trans	17	114.9	152.3	-64.7	-34.7	0	0	0	118.1
59	D	26.4	Very low	24.3	Very low	171 Å²	171	146.5 Å²	146.5	91%	0.914	82%	0.82	S	S	*	*				-145.2	124	128.6	-104.7	-30.1	0	0	0	111.4
60	S	24.5	Very low	24.5	Very low	104 Å²	104	150.4 Å²	150.4	73%	0.727	83%	0.825	S	S	*	*			trans	-90.4	151.4	170.6	62.2	0	0	0	0	109
61	S	24.6	Very low	24.6	Very low	111 Å²	111	149.6 Å²	149.6	78%	0.776	82%	0.822	S	S	*	*			trans	91	94.4	176.4	81.4	0	0	0	0	116.7
62	L	26.8	Very low	24.7	Very low	176 Å²	176	147 Å²	147	92%	0.921	82%	0.817	S	S	*	*			trans	-163.5	88.9	135.5	-101.1	148	0	0	0	108
63	C	22.3	Very low	25	Very low	137 Å²	137	146.2 Å²	146.2	93%	0.926	81%	0.813	S	S	*	*			trans	-73.5	130.8	153.3	-72.5	0	0	0	0	107.8
64	G	21.3	Very low	25.4	Very low	63 Å²	63	145.1 Å²	145.1	65%	0.649	79%	0.79	S	S	*	*			trans	141.9	106.6	164.8	0	0	0	0	0	114.3
65	D	24.8	Very low	26	Very low	169 Å²	169	141.2 Å²	141.2	90%	0.904	78%	0.779	S	S	*	*			trans	63.9	82.8	146.5	-56.9	-19.8	0	0	0	120
66	A	27.9	Very low	26.5	Very low	99 Å²	99	135.2 Å²	135.2	82%	0.818	75%	0.754	S	S	*	*			trans	-159.4	60.6	142.8	0	0	0	0	0	110.4	E68	A66-E68 PolarHBondContact O-N 2.94Å; A66-E68 VanDerWaalsContact O-N 3.13Å
67	F	24.6	Very low	27	Very low	217 Å²	217	128 Å²	128	95%	0.952	72%	0.718	S	S	*	*			trans	-82	67	167.8	-109.9	-88.1	0	0	0	109.3
68	E	24.5	Very low	27.7	Very low	176 Å²	176	123.2 Å²	123.2	82%	0.822	70%	0.704	S	S	*	*			trans	-104.3	105	159.1	-85.7	-169.6	169.3	0	0	108.8	A66 R70	A66-E68 PolarHBondContact O-N 2.94Å; A66-E68 VanDerWaalsContact O-N 3.13Å; E68-R70 VanDerWaalsContact C-N 3.27Å; E68-R70 PolarHBondContact O-N 3.13Å
69	S	25.2	Very low	28.4	Very low	107 Å²	107	118.6 Å²	118.6	75%	0.748	68%	0.681	S	S	*	*			trans	-50.4	82.9	167.8	49.5	0	0	0	0	111.7	N71	S69-N71 PolarHBondContact O-N 3.46Å; S69-N71 VanDerWaalsContact O-N 3.14Å
70	R	23.9	Very low	29.1	Very low	219 Å²	219	111.1 Å²	111.1	83%	0.826	64%	0.641	S	S	*	*			trans	-78.5	84.7	151.8	-72.9	-172.5	-177.5	177.6	1.7	107.5	E68 V72	E68-R70 VanDerWaalsContact C-N 3.27Å; E68-R70 PolarHBondContact O-N 3.13Å; R70-V72 HydrophobicContact CB-CG2 4.02Å; R70-V72 PolarHBondContact O-N 2.54Å
71	N	26.5	Very low	29.8	Very low	146 Å²	146	108.4 Å²	108.4	78%	0.781	63%	0.629	S	S	*	*			trans	-62.9	79.2	148.8	-79.9	-20.5	0	0	0	106	S69 D73	S69-N71 PolarHBondContact O-N 3.46Å; S69-N71 VanDerWaalsContact O-N 3.14Å; N71-D73 PolarHBondContact O-N 2.75Å
72	V	26.6	Very low	30.5	Very low	112 Å²	112	105.9 Å²	105.9	68%	0.679	62%	0.615	S	S	*	*			trans	-67.3	111.1	161	-177.7	0	0	0	0	103.8	R70 H74	R70-V72 HydrophobicContact CB-CG2 4.02Å; R70-V72 PolarHBondContact O-N 2.54Å; V72-H74 VanDerWaalsContact C-N 3.3Å; V72-H74 PolarHBondContact O-N 2.8Å
73	D	28.9	Very low	31.2	Very low	134 Å²	134	97.8 Å²	97.8	72%	0.717	57%	0.573	S	S	*	*			trans	-51.9	102.5	168.2	-75.7	-42	0	0	0	107.2	N71	N71-D73 PolarHBondContact O-N 2.75Å
74	H	37.5	Very low	32.2	Very low	82 Å²	82	93 Å²	93	38%	0.38	54%	0.539	S	S	.	.			trans	-62	139.8	-177.2	-168.2	-83.1	0	0	0	107.3	V72 C76 C77 S78	V72-H74 VanDerWaalsContact C-N 3.3Å; V72-H74 PolarHBondContact O-N 2.8Å; H74-C76 PolarHBondContact CE1-SG 2.83Å; H74-C76 WeakPolarHBondContact ND1-CB 3.42Å; H74-C76 PolarHBondContact ND1-N 3.18Å; H74-C76 PolarHBondContact ND1-SG 3.27Å; H74-C76 PolarHBondContact O-N 3.21Å; H74-C77 PolarHBondContact O-N 2.95Å; H74-S78 PolarHBondContact O-N 3Å
75	P	33.9	Very low	33.1	Very low	79 Å²	79	92.9 Å²	92.9	51%	0.513	53%	0.532	S	S	.	.	H	α-helix	trans	-48.6	-30.6	179.2	-27.9	32.6	0	0	0	112.9	S78 T79	P75-S78 PolarHBondContact O-OG 3.34Å; P75-T79 WeakPolarHBondContact O-CA 3.24Å; P75-T79 WeakPolarHBondContact O-CB 3.46Å; P75-T79 PolarHBondContact O-N 2.89Å; P75-T79 PolarHBondContact O-OG1 2.88Å
76	C	35.1	Very low	33.8	Very low	33 Å²	33	88.9 Å²	88.9	22%	0.223	51%	0.51	C	S	.	.	H	α-helix	trans	-63.6	-38.7	174.4	-57.2	0	0	0	0	114.6	H74 F80	H74-C76 PolarHBondContact CE1-SG 2.83Å; H74-C76 WeakPolarHBondContact ND1-CB 3.42Å; H74-C76 PolarHBondContact ND1-N 3.18Å; H74-C76 PolarHBondContact ND1-SG 3.27Å; H74-C76 PolarHBondContact O-N 3.21Å; C76-F80 WeakPolarHBondContact O-CB 3.46Å; C76-F80 PolarHBondContact O-N 3.28Å
77	C	35.4	Very low	34.4	Very low	30 Å²	30	86.2 Å²	86.2	20%	0.203	48%	0.482	C	S	.	.	H	α-helix	trans	-78.2	-28.6	-179.5	-65.5	0	0	0	0	110.2	H74 R443 C463	H74-C77 PolarHBondContact O-N 2.95Å; C77-R443 PolarHBondContact SG-NH1 2.92Å; C77-R443 VanDerWaalsContact SG-NH1 3.42Å; C77-C463 WeakPolarHBondContact CB-SG 3.48Å; C77-C463 WeakPolarHBondContact SG-CB 3.38Å; C77-C463 CovalentContact SG-SG 2.15Å; C77-C463 PolarHBondContact SG-SG 3.08Å
78	S	37.7	Very low	35.1	Very low	72 Å²	72	80 Å²	80	50%	0.503	46%	0.462	S	S	.	.	H	α-helix	trans	-83.7	-37.6	173.7	60	0	0	0	0	114.8	H74 P75 A82	H74-S78 PolarHBondContact O-N 3Å; P75-S78 PolarHBondContact O-OG 3.34Å; S78-A82 PolarHBondContact O-N 3.41Å
79	T	39.2	Very low	35.7	Very low	53 Å²	53	75.4 Å²	75.4	33%	0.325	45%	0.454	S	S	.	.	H	α-helix	trans	-70.6	-35.4	179.8	-54.3	0	0	0	0	111.5	P75 A82 L83 L166	P75-T79 WeakPolarHBondContact O-CA 3.24Å; P75-T79 WeakPolarHBondContact O-CB 3.46Å; P75-T79 PolarHBondContact O-N 2.89Å; P75-T79 PolarHBondContact O-OG1 2.88Å; T79-A82 PolarHBondContact O-N 3.28Å; T79-L83 VanDerWaalsContact O-CB 3.24Å; T79-L83 WeakPolarHBondContact O-CB 3.34Å; T79-L83 PolarHBondContact O-N 3.09Å; T79-L166 HydrophobicContact CG2-CD2 3.69Å
80	F	40.2	Very low	36.1	Very low	15 Å²	15	73.7 Å²	73.7	7%	0.066	44%	0.439	C	S	.	.	H	α-helix	trans	-68	-39	178.8	-126.4	-86.9	0	0	0	112.6	C76 A82 L83 V84 L185 Y439	C76-F80 WeakPolarHBondContact O-CB 3.46Å; C76-F80 PolarHBondContact O-N 3.28Å; F80-A82 VanDerWaalsContact C-N 3.33Å; F80-A82 PolarHBondContact O-N 3.05Å; F80-L83 PolarHBondContact O-N 3.46Å; F80-V84 HydrophobicContact CD1-CG2 4.22Å; F80-V84 WeakPolarHBondContact O-CG2 3.29Å; F80-V84 PolarHBondContact O-N 3.11Å; F80-L185 WeakPolarHBondContact CE2-O 3.49Å; F80-L185 WeakPolarHBondContact CZ-O 3.23Å; F80-Y439 AromaticContact CD1-CD2 3.99Å; F80-Y439 HydrophobicContact CD1-CD2 3.99Å; F80-Y439 HydrophobicContact CD1-CE2 4.36Å; F80-Y439 HydrophobicContact CE1-CD2 4.42Å
81	G	38.2	Very low	36.7	Very low	46 Å²	46	67.4 Å²	67.4	47%	0.474	43%	0.429	S	S	.	.	H	α-helix	trans	-62.3	-40.4	176.1	0	0	0	0	0	112.3
82	A	40.2	Very low	37.4	Very low	59 Å²	59	66 Å²	66	49%	0.488	43%	0.427	S	S	.	.	H	α-helix	trans	-68.9	-37.5	172.8	0	0	0	0	0	112.4	S78 T79 F80 A85 D86	S78-A82 PolarHBondContact O-N 3.41Å; T79-A82 PolarHBondContact O-N 3.28Å; F80-A82 VanDerWaalsContact C-N 3.33Å; F80-A82 PolarHBondContact O-N 3.05Å; A82-A85 WeakPolarHBondContact O-CB 3.35Å; A82-A85 PolarHBondContact O-N 3.43Å; A82-D86 PolarHBondContact O-N 3.46Å; A82-D86 VanDerWaalsContact O-N 3.14Å
83	L	41.9	Very low	37.7	Very low	6 Å²	6	65.4 Å²	65.4	3%	0.031	42%	0.424	C	S	.	.	H	α-helix	trans	-69.2	-36.9	-179.2	-166.1	81.6	0	0	0	113.1	T79 F80 A85 D86 I87 R184 L185	T79-L83 VanDerWaalsContact O-CB 3.24Å; T79-L83 WeakPolarHBondContact O-CB 3.34Å; T79-L83 PolarHBondContact O-N 3.09Å; F80-L83 PolarHBondContact O-N 3.46Å; L83-A85 VanDerWaalsContact C-N 3.29Å; L83-A85 PolarHBondContact O-N 2.63Å; L83-D86 PolarHBondContact O-N 2.79Å; L83-I87 HydrophobicContact CD2-CD1 4.2Å; L83-I87 HydrophobicContact CG-CD1 4.13Å; L83-I87 VanDerWaalsContact O-CG1 3.28Å; L83-I87 WeakPolarHBondContact O-CG1 3.23Å; L83-I87 PolarHBondContact O-N 3.22Å; L83-R184 HydrophobicContact CD1-CB 4.27Å; L83-R184 WeakPolarHBondContact CD1-O 3.47Å; L83-R184 WeakPolarHBondContact CD2-O 3.39Å; L83-L185 HydrophobicContact CD2-CD2 4.24Å
84	V	42.6	Very low	38.2	Very low	37 Å²	37	63.5 Å²	63.5	22%	0.224	42%	0.421	C	S	.	.	H	α-helix	trans	-65.6	-36	174.2	176.1	0	0	0	0	110.9	F80 D86 I87 T88 Y439	F80-V84 HydrophobicContact CD1-CG2 4.22Å; F80-V84 WeakPolarHBondContact O-CG2 3.29Å; F80-V84 PolarHBondContact O-N 3.11Å; V84-D86 VanDerWaalsContact C-N 3.27Å; V84-D86 PolarHBondContact O-N 3.43Å; V84-I87 PolarHBondContact O-N 3.34Å; V84-T88 WeakPolarHBondContact O-CG2 3.12Å; V84-T88 PolarHBondContact O-N 3.42Å; V84-T88 VanDerWaalsContact O-N 3.1Å; V84-T88 PolarHBondContact O-OG1 2.87Å; V84-Y439 HydrophobicContact CG2-CD2 3.42Å; V84-Y439 VanDerWaalsContact CG2-CD2 3.42Å; V84-Y439 HydrophobicContact CG2-CE2 4.21Å; V84-Y439 HydrophobicContact CG2-CG 4.15Å
85	A	41.4	Very low	38.4	Very low	60 Å²	60	69.4 Å²	69.4	50%	0.496	45%	0.449	S	S	.	.	H	α-helix	trans	-65	-31.5	173.5	0	0	0	0	0	112.3	A82 L83 T88	A82-A85 WeakPolarHBondContact O-CB 3.35Å; A82-A85 PolarHBondContact O-N 3.43Å; L83-A85 VanDerWaalsContact C-N 3.29Å; L83-A85 PolarHBondContact O-N 2.63Å; A85-T88 PolarHBondContact O-OG1 2.87Å
86	D	39.1	Very low	39	Very low	84 Å²	84	71.1 Å²	71.1	45%	0.449	45%	0.453	S	S	.	.	H	α-helix	trans	-77.9	-36.8	173.2	-86.3	-9.6	0	0	0	113	A82 L83 V84 T88 A89 T90	A82-D86 PolarHBondContact O-N 3.46Å; A82-D86 VanDerWaalsContact O-N 3.14Å; L83-D86 PolarHBondContact O-N 2.79Å; V84-D86 VanDerWaalsContact C-N 3.27Å; V84-D86 PolarHBondContact O-N 3.43Å; D86-T88 VanDerWaalsContact C-N 3.31Å; D86-T88 PolarHBondContact O-N 3.37Å; D86-A89 WeakPolarHBondContact O-CB 3.44Å; D86-A89 PolarHBondContact O-N 3.38Å; D86-T90 PolarHBondContact O-N 2.77Å; D86-T90 PolarHBondContact O-OG1 2.63Å
87	I	40	Very low	39.6	Very low	43 Å²	43	79.3 Å²	79.3	22%	0.221	48%	0.479	C	S	.	.	H	α-helix	trans	-64.8	-36.7	178	-69.5	164.6	0	0	0	110.8	L83 V84 A89 T90 L185	L83-I87 HydrophobicContact CD2-CD1 4.2Å; L83-I87 HydrophobicContact CG-CD1 4.13Å; L83-I87 VanDerWaalsContact O-CG1 3.28Å; L83-I87 WeakPolarHBondContact O-CG1 3.23Å; L83-I87 PolarHBondContact O-N 3.22Å; V84-I87 PolarHBondContact O-N 3.34Å; I87-A89 PolarHBondContact O-N 2.95Å; I87-T90 PolarHBondContact O-N 2.89Å; I87-T90 PolarHBondContact O-OG1 3.02Å; I87-L185 HydrophobicContact CD1-CD2 4.1Å
88	T	39.2	Very low	40.6	Very low	88 Å²	88	79.3 Å²	79.3	54%	0.54	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-20.8	173.8	57	0	0	0	0	113	V84 A85 D86	V84-T88 WeakPolarHBondContact O-CG2 3.12Å; V84-T88 PolarHBondContact O-N 3.42Å; V84-T88 VanDerWaalsContact O-N 3.1Å; V84-T88 PolarHBondContact O-OG1 2.87Å; A85-T88 PolarHBondContact O-OG1 2.87Å; D86-T88 VanDerWaalsContact C-N 3.31Å; D86-T88 PolarHBondContact O-N 3.37Å
89	A	36.1	Very low	41.6	Very low	79 Å²	79	81.9 Å²	81.9	65%	0.653	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-27.8	176	0	0	0	0	0	113.2	D86 I87 S91	D86-A89 WeakPolarHBondContact O-CB 3.44Å; D86-A89 PolarHBondContact O-N 3.38Å; I87-A89 PolarHBondContact O-N 2.95Å; A89-S91 PolarHBondContact O-N 2.9Å
90	T	35.2	Very low	43.3	Very low	71 Å²	71	82.6 Å²	82.6	44%	0.436	49%	0.49	S	S	.	.			trans	-96.3	75.2	179.2	49.7	0	0	0	0	112.2	D86 I87	D86-T90 PolarHBondContact O-N 2.77Å; D86-T90 PolarHBondContact O-OG1 2.63Å; I87-T90 PolarHBondContact O-N 2.89Å; I87-T90 PolarHBondContact O-OG1 3.02Å
91	S	35.4	Very low	45	Very low	87 Å²	87	82.4 Å²	82.4	61%	0.608	49%	0.492	S	S	*	.			trans	-69.4	129.9	153.7	-176.1	0	0	0	0	107.7	A89 V93	A89-S91 PolarHBondContact O-N 2.9Å; S91-V93 PolarHBondContact O-N 3.05Å
92	P	41	Very low	47.1	Very low	115 Å²	115	84.2 Å²	84.2	75%	0.747	49%	0.494	S	S	*	.			trans	-72.8	72.8	174	29.1	-30.9	0	0	0	109	S94	P92-S94 PolarHBondContact O-N 2.71Å
93	V	32.9	Very low	49.2	Very low	101 Å²	101	85.2 Å²	85.2	61%	0.612	49%	0.488	S	S	*	.			trans	-79.9	116.4	172.7	178.3	0	0	0	0	107.2	S91	S91-V93 PolarHBondContact O-N 3.05Å
94	S	40	Very low	51.2	Low	94 Å²	94	85 Å²	85	66%	0.657	49%	0.487	S	S	*	.	S	Bend	trans	66.9	141.8	169.5	64.3	0	0	0	0	116.7	P92 I96	P92-S94 PolarHBondContact O-N 2.71Å; S94-I96 PolarHBondContact O-N 2.68Å
95	Q	42.4	Very low	53.2	Low	206 Å²	206	84.4 Å²	84.4	96%	0.963	48%	0.483	S	S	*	.			trans	-61.1	79	168.9	-72.8	170.8	-23.3	0	0	109.3	R97	Q95-R97 PolarHBondContact O-N 2.99Å
96	I	45	Very low	55.4	Low	115 Å²	115	86.9 Å²	86.9	59%	0.59	48%	0.484	S	S	*	.			trans	-67.5	113.3	163.9	-61.2	173.6	0	0	0	104.7	S94 M98	S94-I96 PolarHBondContact O-N 2.68Å; I96-M98 VanDerWaalsContact C-N 3.34Å; I96-M98 PolarHBondContact O-N 3.25Å
97	R	48.9	Very low	57.8	Low	204 Å²	204	84.6 Å²	84.6	77%	0.77	48%	0.477	S	S	*	.			trans	-63.7	100.3	169.3	-167.7	-179.9	-172.8	178.5	1.9	106.6	Q95 V99 E131	Q95-R97 PolarHBondContact O-N 2.99Å; R97-V99 PolarHBondContact O-N 3.01Å; R97-E131 IonicContact NE-OE1 3.5Å; R97-E131 PolarHBondContact NE-OE1 3.33Å
98	M	55.1	Low	60.3	Low	30 Å²	30	85.4 Å²	85.4	15%	0.148	48%	0.477	C	S	.	.			trans	-70.5	130.5	-177.1	-63.2	-175.6	-176.7	0	0	108.9	I96 S104 A107 Y108	I96-M98 VanDerWaalsContact C-N 3.34Å; I96-M98 PolarHBondContact O-N 3.25Å; M98-S104 WeakPolarHBondContact SD-CA 3.45Å; M98-A107 HydrophobicContact CE-CB 3.3Å; M98-A107 HydrophobicContact SD-CB 4.08Å; M98-Y108 HydrophobicContact CE-CD2 4.11Å; M98-Y108 HydrophobicContact CE-CE2 3.23Å; M98-Y108 WeakPolarHBondContact CE-OH 3.32Å; M98-Y108 HydrophobicContact SD-CD2 4.42Å; M98-Y108 HydrophobicContact SD-CE2 3.76Å
99	V	59.3	Low	62.8	Low	126 Å²	126	82.9 Å²	82.9	76%	0.764	46%	0.463	S	S	*	.			trans	-88.3	-20.5	-170.6	-174.6	0	0	0	0	111	R97 E103	R97-V99 PolarHBondContact O-N 3.01Å; V99-E103 PolarHBondContact N-OE2 2.84Å
100	N	74.4	Confident	65.6	Low	68 Å²	68	79.1 Å²	79.1	36%	0.364	43%	0.432	S	S	.	.	S	Bend	trans	-153.3	171.7	177.4	63.4	49.1	0	0	0	113.7	T102 E103 S104	N100-T102 VanDerWaalsContact C-N 3.33Å; N100-T102 PolarHBondContact O-N 3.39Å; N100-T102 WeakPolarHBondContact OD1-CB 3.33Å; N100-T102 PolarHBondContact OD1-N 3.33Å; N100-T102 VanDerWaalsContact OD1-N 3.09Å; N100-E103 WeakPolarHBondContact OD1-CG 3.38Å; N100-E103 PolarHBondContact OD1-N 2.87Å; N100-S104 PolarHBondContact O-N 3.48Å
101	A	77.7	Confident	68.5	Low	12 Å²	12	75.9 Å²	75.9	10%	0.099	41%	0.411	C	S	.	.	H	α-helix	trans	-65.7	-32.4	179.5	0	0	0	0	0	113.6	S104 L105 L132 F135	A101-S104 WeakPolarHBondContact O-CB 3.05Å; A101-S104 PolarHBondContact O-N 3.34Å; A101-L105 WeakPolarHBondContact O-CG 3.48Å; A101-L105 PolarHBondContact O-N 3.38Å; A101-L132 HydrophobicContact CB-CD2 3.91Å; A101-F135 HydrophobicContact CB-CB 3.53Å; A101-F135 HydrophobicContact CB-CD1 4.11Å; A101-F135 HydrophobicContact CB-CD2 3.48Å; A101-F135 VanDerWaalsContact CB-CD2 3.48Å; A101-F135 HydrophobicContact CB-CE2 4.19Å; A101-F135 HydrophobicContact CB-CG 3.43Å; A101-F135 VanDerWaalsContact CB-CG 3.43Å
102	T	81.9	Confident	71.5	Confident	83 Å²	83	71.8 Å²	71.8	51%	0.509	38%	0.383	S	S	.	.	H	α-helix	trans	-62.9	-47.2	178.8	-50.1	0	0	0	0	110.9	N100 S104 L105 H106	N100-T102 VanDerWaalsContact C-N 3.33Å; N100-T102 PolarHBondContact O-N 3.39Å; N100-T102 WeakPolarHBondContact OD1-CB 3.33Å; N100-T102 PolarHBondContact OD1-N 3.33Å; N100-T102 VanDerWaalsContact OD1-N 3.09Å; T102-S104 VanDerWaalsContact C-N 3.29Å; T102-S104 PolarHBondContact O-N 2.9Å; T102-L105 PolarHBondContact O-N 2.96Å; T102-H106 PolarHBondContact O-CD2 3.19Å; T102-H106 PolarHBondContact O-N 3.13Å
103	E	84.4	Confident	74.2	Confident	80 Å²	80	66.3 Å²	66.3	37%	0.374	35%	0.347	S	S	.	.	H	α-helix	trans	-57.5	-42.2	173.4	-72.9	172.6	-172.9	0	0	111.5	V99 N100 H106 A107	V99-E103 PolarHBondContact N-OE2 2.84Å; N100-E103 WeakPolarHBondContact OD1-CG 3.38Å; N100-E103 PolarHBondContact OD1-N 2.87Å; E103-H106 PolarHBondContact O-N 2.89Å; E103-A107 VanDerWaalsContact O-CB 3.26Å; E103-A107 WeakPolarHBondContact O-CB 3.37Å; E103-A107 PolarHBondContact O-N 2.84Å
104	S	82.6	Confident	77.3	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.007	32%	0.318	C	S	.	.	H	α-helix	trans	-61.2	-45	176.2	-174.2	0	0	0	0	113.2	M98 N100 A101 T102 H106 A107 Y108 Q111	M98-S104 WeakPolarHBondContact SD-CA 3.45Å; N100-S104 PolarHBondContact O-N 3.48Å; A101-S104 WeakPolarHBondContact O-CB 3.05Å; A101-S104 PolarHBondContact O-N 3.34Å; T102-S104 VanDerWaalsContact C-N 3.29Å; T102-S104 PolarHBondContact O-N 2.9Å; S104-H106 VanDerWaalsContact C-N 3.31Å; S104-H106 PolarHBondContact O-N 2.89Å; S104-A107 PolarHBondContact O-N 2.9Å; S104-Y108 WeakPolarHBondContact O-CD2 3.43Å; S104-Y108 PolarHBondContact O-N 2.81Å; S104-Y108 VanDerWaalsContact O-N 3.15Å; S104-Q111 PolarHBondContact OG-NE2 3.4Å
105	L	86.1	Confident	80.1	Confident	26 Å²	26	57 Å²	57	14%	0.136	29%	0.287	C	S	.	.	H	α-helix	trans	-69.6	-27	177.9	-65.6	178.7	0	0	0	113	A101 T102 Y108 Q111 F113 F135 Y167 V182 R184	A101-L105 WeakPolarHBondContact O-CG 3.48Å; A101-L105 PolarHBondContact O-N 3.38Å; T102-L105 PolarHBondContact O-N 2.96Å; L105-Y108 VanDerWaalsContact O-O 3.09Å; L105-Q111 HydrophobicContact CD2-CB 3.8Å; L105-Q111 HydrophobicContact CD2-CG 4.08Å; L105-F113 HydrophobicContact CD2-CE2 4.3Å; L105-F113 HydrophobicContact CD2-CZ 4.32Å; L105-F135 HydrophobicContact CD1-CE2 4.44Å; L105-F135 HydrophobicContact CD1-CZ 3.93Å; L105-Y167 HydrophobicContact CB-CE1 4.13Å; L105-Y167 WeakPolarHBondContact O-CE1 3.47Å; L105-Y167 PolarHBondContact O-OH 3.18Å; L105-V182 HydrophobicContact CD2-CB 3.91Å; L105-V182 HydrophobicContact CD2-CG1 3.84Å; L105-V182 HydrophobicContact CD2-CG2 4.15Å; L105-R184 PolarHBondContact O-NH2 2.72Å
106	H	87.5	Confident	82.6	Confident	111 Å²	111	47.3 Å²	47.3	51%	0.514	24%	0.241	S	C	.	.	H	α-helix	trans	-77.6	-39.9	172.4	-78	-65.6	0	0	0	112.5	T102 E103 S104 Y167 R184	T102-H106 PolarHBondContact O-CD2 3.19Å; T102-H106 PolarHBondContact O-N 3.13Å; E103-H106 PolarHBondContact O-N 2.89Å; S104-H106 VanDerWaalsContact C-N 3.31Å; S104-H106 PolarHBondContact O-N 2.89Å; H106-Y167 PolarHBondContact CE1-OH 3.28Å; H106-Y167 PolarHBondContact ND1-OH 2.88Å; H106-Y167 VanDerWaalsContact ND1-OH 3.09Å; H106-R184 PolarHBondContact O-NH2 3.43Å
107	A	89.5	Confident	85	Confident	37 Å²	37	44.8 Å²	44.8	31%	0.306	23%	0.227	S	C	.	.	H	α-helix	trans	-70.9	-31.5	-176.4	0	0	0	0	0	113.4	M98 E103 S104	M98-A107 HydrophobicContact CE-CB 3.3Å; M98-A107 HydrophobicContact SD-CB 4.08Å; E103-A107 VanDerWaalsContact O-CB 3.26Å; E103-A107 WeakPolarHBondContact O-CB 3.37Å; E103-A107 PolarHBondContact O-N 2.84Å; S104-A107 PolarHBondContact O-N 2.9Å
108	Y	91.8	Very high	87.1	Confident	59 Å²	59	37.6 Å²	37.6	23%	0.231	21%	0.212	C	C	.	.			trans	-116.6	142.5	-178.1	-57.6	-67.7	0	0	0	112.1	M98 S104 L105 K110 Y126 R184	M98-Y108 HydrophobicContact CE-CD2 4.11Å; M98-Y108 HydrophobicContact CE-CE2 3.23Å; M98-Y108 WeakPolarHBondContact CE-OH 3.32Å; M98-Y108 HydrophobicContact SD-CD2 4.42Å; M98-Y108 HydrophobicContact SD-CE2 3.76Å; S104-Y108 WeakPolarHBondContact O-CD2 3.43Å; S104-Y108 PolarHBondContact O-N 2.81Å; S104-Y108 VanDerWaalsContact O-N 3.15Å; L105-Y108 VanDerWaalsContact O-O 3.09Å; Y108-K110 VanDerWaalsContact C-N 3.32Å; Y108-K110 PolarHBondContact O-N 3.38Å; Y108-Y126 HydrophobicContact CD1-CD1 4.23Å; Y108-Y126 AromaticContact CD1-CD2 3.83Å; Y108-Y126 HydrophobicContact CD1-CD2 3.83Å; Y108-Y126 HydrophobicContact CD1-CE1 4.31Å; Y108-Y126 AromaticContact CD1-CE2 3.89Å; Y108-Y126 HydrophobicContact CD1-CE2 3.89Å; Y108-Y126 AromaticContact CD1-CG 4Å; Y108-Y126 HydrophobicContact CD1-CG 4Å; Y108-Y126 AromaticContact CD2-CD2 3.66Å; Y108-Y126 HydrophobicContact CD2-CD2 3.66Å; Y108-Y126 HydrophobicContact CD2-CE2 4.48Å; Y108-Y126 AromaticContact CD2-CG 3.71Å; Y108-Y126 HydrophobicContact CD2-CG 3.71Å; Y108-Y126 HydrophobicContact CE1-CD1 4.1Å; Y108-Y126 HydrophobicContact CE1-CD2 4.44Å; Y108-Y126 HydrophobicContact CE1-CE1 4.36Å; Y108-Y126 HydrophobicContact CE1-CG 4.14Å; Y108-Y126 VanDerWaalsContact CE2-CB 3.44Å; Y108-Y126 HydrophobicContact CE2-CD1 4.42Å; Y108-Y126 HydrophobicContact CE2-CD2 4.26Å; Y108-Y126 AromaticContact CE2-CG 3.82Å; Y108-Y126 HydrophobicContact CE2-CG 3.82Å; Y108-Y126 HydrophobicContact CG-CD1 4.48Å; Y108-Y126 AromaticContact CG-CD2 3.4Å; Y108-Y126 HydrophobicContact CG-CD2 3.4Å; Y108-Y126 VanDerWaalsContact CG-CD2 3.4Å; Y108-Y126 AromaticContact CG-CE2 3.79Å; Y108-Y126 HydrophobicContact CG-CE2 3.79Å; Y108-Y126 AromaticContact CG-CG 3.79Å; Y108-Y126 HydrophobicContact CG-CG 3.79Å; Y108-R184 PolarHBondContact O-NH2 3.42Å
109	P	91.6	Very high	88.9	Confident	35 Å²	35	36.8 Å²	36.8	23%	0.227	21%	0.211	C	C	.	.	S	Bend	trans	-76.4	-20.3	-178.8	31	-36.2	0	0	0	113.1	R184 L185	P109-R184 PolarHBondContact O-N 2.94Å; P109-L185 HydrophobicContact CB-CD2 3.61Å; P109-L185 HydrophobicContact CB-CG 3.96Å; P109-L185 HydrophobicContact CG-CD2 4.18Å
110	K	95.4	Very high	90.6	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	125.2	177.9	178.3	179.9	-66.2	173.7	0	111.4	Y108 R125 Y126 I181 V182 S183 L185 D187 Q195 I239 E243	Y108-K110 VanDerWaalsContact C-N 3.32Å; Y108-K110 PolarHBondContact O-N 3.38Å; K110-R125 PolarHBondContact O-NH1 3.09Å; K110-Y126 VanDerWaalsContact O-CE2 3.22Å; K110-Y126 WeakPolarHBondContact O-CE2 3.41Å; K110-I181 HydrophobicContact CD-CD1 3.96Å; K110-I181 HydrophobicContact CD-CG1 4.44Å; K110-I181 HydrophobicContact CG-CD1 4.28Å; K110-I181 HydrophobicContact CG-CG1 4.22Å; K110-V182 CarbonylContact C-O 3.59Å; K110-V182 VanDerWaalsContact CA-O 3.24Å; K110-V182 WeakPolarHBondContact CA-O 3.37Å; K110-S183 WeakPolarHBondContact CE-OG 3.48Å; K110-L185 HydrophobicContact CB-CD1 4.23Å; K110-D187 WeakPolarHBondContact CE-OD2 3.5Å; K110-D187 IonicContact NZ-OD1 2.78Å; K110-D187 PolarHBondContact NZ-OD1 3.09Å; K110-D187 IonicContact NZ-OD2 3.71Å; K110-D187 PolarHBondContact NZ-OD2 3.38Å; K110-Q195 VanDerWaalsContact NZ-OE1 3.07Å; K110-I239 HydrophobicContact CD-CG2 4.12Å; K110-E243 HydrophobicContact CD-CG 4.42Å; K110-E243 VanDerWaalsContact CD-OE1 3.26Å; K110-E243 WeakPolarHBondContact CD-OE1 3.36Å; K110-E243 IonicContact NZ-OE1 3.95Å
111	Q	95.8	Very high	91.7	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.3	179.4	-180	63.6	-56.7	0	0	110.1	S104 L105 F113 Y126 V182	S104-Q111 PolarHBondContact OG-NE2 3.4Å; L105-Q111 HydrophobicContact CD2-CB 3.8Å; L105-Q111 HydrophobicContact CD2-CG 4.08Å; Q111-F113 HydrophobicContact CB-CE2 4.21Å; Q111-F113 HydrophobicContact CB-CZ 4.43Å; Q111-F113 HydrophobicContact CG-CD2 4.2Å; Q111-F113 HydrophobicContact CG-CE1 3.99Å; Q111-F113 HydrophobicContact CG-CE2 3.4Å; Q111-F113 HydrophobicContact CG-CZ 3.28Å; Q111-Y126 PolarHBondContact NE2-O 3.48Å; Q111-V182 PolarHBondContact N-O 3.27Å; Q111-V182 PolarHBondContact O-N 2.91Å
112	V	97.7	Very high	92.6	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.5	178.8	-178.6	0	0	0	0	109.4	Y123 T124 R125 C180 I181 L196 L199 I239	V112-Y123 HydrophobicContact CB-CE1 4.49Å; V112-Y123 HydrophobicContact CG1-CE1 4.38Å; V112-T124 WeakPolarHBondContact O-CA 3.35Å; V112-R125 HydrophobicContact CB-CB 4.23Å; V112-R125 PolarHBondContact O-N 2.88Å; V112-C180 WeakPolarHBondContact CA-O 3.25Å; V112-I181 HydrophobicContact CG2-CB 4.28Å; V112-I181 HydrophobicContact CG2-CD1 3.9Å; V112-I181 HydrophobicContact CG2-CG1 3.85Å; V112-L196 HydrophobicContact CG1-CD2 4.22Å; V112-L199 HydrophobicContact CG1-CD2 3.52Å; V112-I239 HydrophobicContact CB-CD1 3.92Å; V112-I239 HydrophobicContact CG1-CD1 4.32Å; V112-I239 HydrophobicContact CG2-CD1 3.67Å; V112-I239 HydrophobicContact CG2-CG1 4.26Å; V112-I239 HydrophobicContact CG2-CG2 4.28Å
113	F	97.9	Very high	93.4	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	130.2	177.4	-54.2	-88.6	0	0	0	109.1	L105 Q111 T124 L132 F135 M136 I139 L179 C180 V182	L105-F113 HydrophobicContact CD2-CE2 4.3Å; L105-F113 HydrophobicContact CD2-CZ 4.32Å; Q111-F113 HydrophobicContact CB-CE2 4.21Å; Q111-F113 HydrophobicContact CB-CZ 4.43Å; Q111-F113 HydrophobicContact CG-CD2 4.2Å; Q111-F113 HydrophobicContact CG-CE1 3.99Å; Q111-F113 HydrophobicContact CG-CE2 3.4Å; Q111-F113 HydrophobicContact CG-CZ 3.28Å; F113-T124 HydrophobicContact CD1-CG2 3.96Å; F113-T124 HydrophobicContact CE1-CG2 4.39Å; F113-L132 HydrophobicContact CE1-CB 4.43Å; F113-L132 HydrophobicContact CE1-CD1 4.15Å; F113-F135 HydrophobicContact CD1-CD1 4.27Å; F113-F135 HydrophobicContact CD2-CE1 4.25Å; F113-F135 AromaticContact CE1-CD1 3.67Å; F113-F135 HydrophobicContact CE1-CD1 3.67Å; F113-F135 HydrophobicContact CE1-CE1 4.06Å; F113-F135 HydrophobicContact CE2-CD1 4.07Å; F113-F135 AromaticContact CE2-CE1 3.58Å; F113-F135 HydrophobicContact CE2-CE1 3.58Å; F113-F135 AromaticContact CZ-CD1 3.54Å; F113-F135 HydrophobicContact CZ-CD1 3.54Å; F113-F135 AromaticContact CZ-CE1 3.46Å; F113-F135 HydrophobicContact CZ-CE1 3.46Å; F113-F135 VanDerWaalsContact CZ-CE1 3.46Å; F113-M136 HydrophobicContact CB-CE 4.12Å; F113-M136 HydrophobicContact CB-CG 4.48Å; F113-M136 HydrophobicContact CD1-CE 3.82Å; F113-M136 HydrophobicContact CD1-CG 4.09Å; F113-M136 HydrophobicContact CG-CE 4.48Å; F113-I139 HydrophobicContact CB-CD1 4.01Å; F113-I139 HydrophobicContact CD1-CD1 4.48Å; F113-I139 HydrophobicContact CD2-CD1 3.91Å; F113-I139 HydrophobicContact CE2-CD1 4.5Å; F113-I139 HydrophobicContact CG-CD1 3.89Å; F113-L179 WeakPolarHBondContact O-CA 3.23Å; F113-C180 HydrophobicContact CB-CB 4.36Å; F113-C180 PolarHBondContact N-O 2.96Å; F113-C180 PolarHBondContact O-N 3.48Å; F113-V182 HydrophobicContact CD2-CG2 4.38Å; F113-V182 HydrophobicContact CE2-CG2 3.93Å
114	V	98.4	Very high	93.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.3	166.8	-175.6	0	0	0	0	107.6	V122 Y123 L177 L179 L199 I203	V114-V122 HydrophobicContact CB-CB 4.2Å; V114-V122 HydrophobicContact CB-CG1 4.46Å; V114-V122 HydrophobicContact CG1-CB 3.89Å; V114-V122 HydrophobicContact CG1-CG1 3.94Å; V114-V122 WeakPolarHBondContact O-CA 3.48Å; V114-V122 WeakPolarHBondContact O-CB 3.28Å; V114-V122 PolarHBondContact O-N 3.49Å; V114-Y123 HydrophobicContact CG2-CD1 3.99Å; V114-Y123 PolarHBondContact N-O 3.43Å; V114-Y123 PolarHBondContact O-N 3.45Å; V114-Y123 VanDerWaalsContact O-N 3.09Å; V114-L177 HydrophobicContact CG1-CD1 4.37Å; V114-L179 HydrophobicContact CG1-CG 4.19Å; V114-L179 HydrophobicContact CG2-CD2 4.03Å; V114-L179 HydrophobicContact CG2-CG 4.06Å; V114-L199 HydrophobicContact CG2-CD2 3.69Å; V114-L199 HydrophobicContact CG2-CG 4.39Å; V114-I203 HydrophobicContact CG1-CD1 3.89Å
115	L	97.9	Very high	94.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	159.9	-178.6	60.9	154.3	0	0	0	110.1	K120 M136 I139 Q140 L177 I178	L115-K120 CarbonylContact C-O 3.59Å; L115-K120 WeakPolarHBondContact CA-O 3.46Å; L115-K120 WeakPolarHBondContact CB-O 3.23Å; L115-M136 HydrophobicContact CB-CB 4.42Å; L115-M136 HydrophobicContact CB-SD 3.87Å; L115-M136 HydrophobicContact CD1-CB 4.23Å; L115-M136 VanDerWaalsContact CD1-O 3.31Å; L115-M136 WeakPolarHBondContact CD1-O 3.4Å; L115-I139 HydrophobicContact CD1-CG2 4.35Å; L115-I139 HydrophobicContact CD2-CG2 3.92Å; L115-Q140 HydrophobicContact CD1-CB 3.73Å; L115-L177 WeakPolarHBondContact O-CA 3.27Å; L115-I178 HydrophobicContact CD1-CB 4.47Å; L115-I178 HydrophobicContact CD2-CB 4.04Å; L115-I178 HydrophobicContact CD2-CG2 4.07Å; L115-I178 VanDerWaalsContact CD2-O 3.26Å; L115-I178 WeakPolarHBondContact CD2-O 3.32Å; L115-I178 HydrophobicContact CG-CB 3.98Å; L115-I178 HydrophobicContact CG-CG2 4.47Å; L115-I178 PolarHBondContact N-O 3.34Å; L115-I178 PolarHBondContact O-N 3.48Å
116	S	96.7	Very high	94.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.007	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	163.3	168.7	74.1	0	0	0	0	111.4	A118 G119 K120 P176	S116-A118 PolarHBondContact O-N 3.21Å; S116-A118 VanDerWaalsContact O-N 3.14Å; S116-A118 PolarHBondContact OG-N 3.49Å; S116-G119 PolarHBondContact O-N 3.22Å; S116-K120 PolarHBondContact N-O 2.74Å; S116-K120 WeakPolarHBondContact OG-CB 3.38Å; S116-K120 PolarHBondContact OG-N 3.31Å; S116-P176 WeakPolarHBondContact CA-O 3.44Å
117	E	94.3	Very high	95	Very high	62 Å²	62	23.5 Å²	23.5	29%	0.29	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.4	172.3	-74.3	-171.8	137.4	0	0	113.5	G119 Q140 R173 P176 I178	E117-G119 PolarHBondContact O-N 3.05Å; E117-Q140 WeakPolarHBondContact O-CG 3.41Å; E117-Q140 PolarHBondContact O-NE2 3.19Å; E117-R173 IonicContact OE1-CZ 2.92Å; E117-R173 VanDerWaalsContact OE1-CZ 3.31Å; E117-R173 IonicContact OE1-NE 2.83Å; E117-R173 PolarHBondContact OE1-NE 2.81Å; E117-R173 IonicContact OE1-NH2 3.69Å; E117-R173 PolarHBondContact OE1-NH2 2.91Å; E117-P176 PolarHBondContact N-O 2.86Å; E117-I178 HydrophobicContact CG-CD1 4.39Å; E117-I178 HydrophobicContact CG-CG1 4.21Å
118	A	92.4	Very high	95.1	Very high	54 Å²	54	23.5 Å²	23.5	45%	0.446	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	4.1	172.4	0	0	0	0	0	113.5	S116	S116-A118 PolarHBondContact O-N 3.21Å; S116-A118 VanDerWaalsContact O-N 3.14Å; S116-A118 PolarHBondContact OG-N 3.49Å
119	G	94.2	Very high	95.1	Very high	12 Å²	12	22.8 Å²	22.8	12%	0.124	14%	0.137	C	C	.	.	S	Bend	trans	83.8	6	179	0	0	0	0	0	114.6	S116 E117	S116-G119 PolarHBondContact O-N 3.22Å; E117-G119 PolarHBondContact O-N 3.05Å
120	K	95.4	Very high	95.1	Very high	74 Å²	74	28.5 Å²	28.5	32%	0.322	16%	0.161	S	C	.	.			trans	-76.2	134.1	-179.3	-64.9	-165.1	169.6	-157.4	0	110.7	L115 S116 N221	L115-K120 CarbonylContact C-O 3.59Å; L115-K120 WeakPolarHBondContact CA-O 3.46Å; L115-K120 WeakPolarHBondContact CB-O 3.23Å; S116-K120 PolarHBondContact N-O 2.74Å; S116-K120 WeakPolarHBondContact OG-CB 3.38Å; S116-K120 PolarHBondContact OG-N 3.31Å; K120-N221 WeakPolarHBondContact CE-O 3.45Å; K120-N221 PolarHBondContact NZ-O 3.23Å
121	P	96.5	Very high	94.8	Very high	13 Å²	13	32.3 Å²	32.3	8%	0.084	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	138.8	179.3	31	-37	0	0	0	111.4	E129 M136 R225	P121-E129 HydrophobicContact CB-CB 3.8Å; P121-E129 HydrophobicContact CB-CG 4.17Å; P121-E129 HydrophobicContact CG-CB 4.16Å; P121-M136 WeakPolarHBondContact CA-SD 3.48Å; P121-M136 HydrophobicContact CB-CE 4Å; P121-M136 HydrophobicContact CB-SD 3.4Å; P121-M136 WeakPolarHBondContact CB-SD 3.48Å; P121-R225 WeakPolarHBondContact O-CD 3.34Å; P121-R225 PolarHBondContact O-NE 3.34Å
122	V	97.1	Very high	94.7	Very high	8 Å²	8	32.6 Å²	32.6	5%	0.048	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-40.1	178.3	175	0	0	0	0	111.2	V114 L177 L224 R225 L228	V114-V122 HydrophobicContact CB-CB 4.2Å; V114-V122 HydrophobicContact CB-CG1 4.46Å; V114-V122 HydrophobicContact CG1-CB 3.89Å; V114-V122 HydrophobicContact CG1-CG1 3.94Å; V114-V122 WeakPolarHBondContact O-CA 3.48Å; V114-V122 WeakPolarHBondContact O-CB 3.28Å; V114-V122 PolarHBondContact O-N 3.49Å; V122-L177 HydrophobicContact CG2-CD2 4.2Å; V122-L224 HydrophobicContact CG1-CB 4.22Å; V122-L224 HydrophobicContact CG1-CD2 3.96Å; V122-L224 HydrophobicContact CG1-CG 4.38Å; V122-L224 HydrophobicContact CG2-CB 4.04Å; V122-L224 HydrophobicContact CG2-CD2 4.41Å; V122-R225 WeakPolarHBondContact O-CG 3.36Å; V122-L228 HydrophobicContact CG1-CD1 3.71Å
123	Y	97.7	Very high	94.5	Very high	3 Å²	3	34.7 Å²	34.7	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	141.5	178.5	164.7	-101.2	0	0	0	111.3	V112 V114 R125 E129 M136 L199 M235 D236 I239	V112-Y123 HydrophobicContact CB-CE1 4.49Å; V112-Y123 HydrophobicContact CG1-CE1 4.38Å; V114-Y123 HydrophobicContact CG2-CD1 3.99Å; V114-Y123 PolarHBondContact N-O 3.43Å; V114-Y123 PolarHBondContact O-N 3.45Å; V114-Y123 VanDerWaalsContact O-N 3.09Å; Y123-R125 HydrophobicContact CE1-CB 4.45Å; Y123-R125 WeakPolarHBondContact OH-CA 3.29Å; Y123-E129 WeakPolarHBondContact CA-OE1 3.32Å; Y123-M136 WeakPolarHBondContact O-CE 3.36Å; Y123-L199 HydrophobicContact CD1-CD2 4.26Å; Y123-L199 HydrophobicContact CE1-CD2 4.18Å; Y123-M235 HydrophobicContact CD1-SD 4.32Å; Y123-M235 HydrophobicContact CD2-CB 4.37Å; Y123-M235 HydrophobicContact CD2-CE 3.6Å; Y123-M235 HydrophobicContact CD2-SD 4.14Å; Y123-M235 HydrophobicContact CE1-CB 4.2Å; Y123-M235 HydrophobicContact CE2-CB 3.81Å; Y123-M235 HydrophobicContact CE2-CE 4.15Å; Y123-M235 HydrophobicContact CG-CE 3.94Å; Y123-M235 HydrophobicContact CG-SD 4.01Å; Y123-D236 WeakPolarHBondContact CE2-OD1 3.28Å; Y123-D236 PolarHBondContact OH-N 3.3Å; Y123-D236 PolarHBondContact OH-OD1 3.49Å; Y123-I239 HydrophobicContact CE1-CD1 3.88Å; Y123-I239 VanDerWaalsContact OH-CD1 3.31Å; Y123-I239 WeakPolarHBondContact OH-CD1 3.4Å
124	T	96.4	Very high	94.3	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.043	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	138.6	164	49.7	0	0	0	0	111.1	V112 F113 G127 E129 L132 M136	V112-T124 WeakPolarHBondContact O-CA 3.35Å; F113-T124 HydrophobicContact CD1-CG2 3.96Å; F113-T124 HydrophobicContact CE1-CG2 4.39Å; T124-G127 PolarHBondContact OG1-O 2.95Å; T124-E129 HydrophobicContact CG2-CG 4.42Å; T124-E129 PolarHBondContact N-OE1 3.39Å; T124-E129 PolarHBondContact OG1-OE1 3.21Å; T124-L132 HydrophobicContact CG2-CB 4.3Å; T124-L132 HydrophobicContact CG2-CD1 3.93Å; T124-M136 HydrophobicContact CG2-CE 3.07Å
125	R	95.2	Very high	94.1	Very high	12 Å²	12	41.2 Å²	41.2	5%	0.045	24%	0.235	C	C	.	.	S	Bend	trans	-66.2	-40.5	176.5	-177	-170.6	-173.4	-173.9	5.2	112.7	K110 V112 Y123 I239 C240 E243	K110-R125 PolarHBondContact O-NH1 3.09Å; V112-R125 HydrophobicContact CB-CB 4.23Å; V112-R125 PolarHBondContact O-N 2.88Å; Y123-R125 HydrophobicContact CE1-CB 4.45Å; Y123-R125 WeakPolarHBondContact OH-CA 3.29Å; R125-I239 HydrophobicContact CB-CD1 4.13Å; R125-I239 HydrophobicContact CG-CD1 4.11Å; R125-I239 VanDerWaalsContact CZ-CG2 3.49Å; R125-C240 PolarHBondContact NH2-SG 3.14Å; R125-C240 VanDerWaalsContact NH2-SG 3.38Å; R125-E243 IonicContact CZ-OE1 3.42Å; R125-E243 IonicContact CZ-OE2 3.5Å; R125-E243 IonicContact NH1-OE1 2.88Å; R125-E243 PolarHBondContact NH1-OE1 3.49Å; R125-E243 IonicContact NH1-OE2 3.47Å; R125-E243 VanDerWaalsContact NH2-CD 3.25Å; R125-E243 IonicContact NH2-OE1 3.65Å; R125-E243 PolarHBondContact NH2-OE1 2.88Å; R125-E243 IonicContact NH2-OE2 3.8Å; R125-E243 PolarHBondContact NH2-OE2 2.85Å
126	Y	93.3	Very high	94	Very high	63 Å²	63	41.2 Å²	41.2	25%	0.247	24%	0.235	C	C	.	.	S	Bend	trans	-131.1	149	177.9	-57.3	-63.1	0	0	0	111.2	Y108 K110 Q111 L132	Y108-Y126 HydrophobicContact CD1-CD1 4.23Å; Y108-Y126 AromaticContact CD1-CD2 3.83Å; Y108-Y126 HydrophobicContact CD1-CD2 3.83Å; Y108-Y126 HydrophobicContact CD1-CE1 4.31Å; Y108-Y126 AromaticContact CD1-CE2 3.89Å; Y108-Y126 HydrophobicContact CD1-CE2 3.89Å; Y108-Y126 AromaticContact CD1-CG 4Å; Y108-Y126 HydrophobicContact CD1-CG 4Å; Y108-Y126 AromaticContact CD2-CD2 3.66Å; Y108-Y126 HydrophobicContact CD2-CD2 3.66Å; Y108-Y126 HydrophobicContact CD2-CE2 4.48Å; Y108-Y126 AromaticContact CD2-CG 3.71Å; Y108-Y126 HydrophobicContact CD2-CG 3.71Å; Y108-Y126 HydrophobicContact CE1-CD1 4.1Å; Y108-Y126 HydrophobicContact CE1-CD2 4.44Å; Y108-Y126 HydrophobicContact CE1-CE1 4.36Å; Y108-Y126 HydrophobicContact CE1-CG 4.14Å; Y108-Y126 VanDerWaalsContact CE2-CB 3.44Å; Y108-Y126 HydrophobicContact CE2-CD1 4.42Å; Y108-Y126 HydrophobicContact CE2-CD2 4.26Å; Y108-Y126 AromaticContact CE2-CG 3.82Å; Y108-Y126 HydrophobicContact CE2-CG 3.82Å; Y108-Y126 HydrophobicContact CG-CD1 4.48Å; Y108-Y126 AromaticContact CG-CD2 3.4Å; Y108-Y126 HydrophobicContact CG-CD2 3.4Å; Y108-Y126 VanDerWaalsContact CG-CD2 3.4Å; Y108-Y126 AromaticContact CG-CE2 3.79Å; Y108-Y126 HydrophobicContact CG-CE2 3.79Å; Y108-Y126 AromaticContact CG-CG 3.79Å; Y108-Y126 HydrophobicContact CG-CG 3.79Å; K110-Y126 VanDerWaalsContact O-CE2 3.22Å; K110-Y126 WeakPolarHBondContact O-CE2 3.41Å; Q111-Y126 PolarHBondContact NE2-O 3.48Å; Y126-L132 WeakPolarHBondContact O-CD1 3.45Å
127	G	90.4	Very high	93.9	Very high	49 Å²	49	42.6 Å²	42.6	51%	0.505	25%	0.25	S	C	.	.	S	Bend	trans	78	-174	-175.3	0	0	0	0	0	112.3	T124	T124-G127 PolarHBondContact OG1-O 2.95Å
128	S	90.6	Very high	94	Very high	36 Å²	36	43.4 Å²	43.4	25%	0.252	26%	0.259	S	S	.	.			trans	-99	144.4	177	70.1	0	0	0	0	111.8	E130 E131 L132	S128-E130 PolarHBondContact O-N 3.42Å; S128-E131 PolarHBondContact O-N 3.11Å; S128-E131 WeakPolarHBondContact OG-CB 3.47Å; S128-E131 WeakPolarHBondContact OG-CG 3.14Å; S128-E131 PolarHBondContact OG-N 2.93Å; S128-E131 VanDerWaalsContact OG-N 3.17Å; S128-E131 PolarHBondContact OG-OE2 2.8Å; S128-L132 PolarHBondContact O-N 2.89Å; S128-L132 VanDerWaalsContact O-N 3.1Å
129	E	92.9	Very high	94.2	Very high	44 Å²	44	41.1 Å²	41.1	21%	0.206	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-31.5	173.6	-75.3	80.4	-172.5	0	0	112.6	P121 Y123 T124 S133	P121-E129 HydrophobicContact CB-CB 3.8Å; P121-E129 HydrophobicContact CB-CG 4.17Å; P121-E129 HydrophobicContact CG-CB 4.16Å; Y123-E129 WeakPolarHBondContact CA-OE1 3.32Å; T124-E129 HydrophobicContact CG2-CG 4.42Å; T124-E129 PolarHBondContact N-OE1 3.39Å; T124-E129 PolarHBondContact OG1-OE1 3.21Å; E129-S133 WeakPolarHBondContact O-CB 3.3Å; E129-S133 PolarHBondContact O-N 3.03Å; E129-S133 VanDerWaalsContact O-N 3.15Å
130	E	90.5	Very high	94.3	Very high	155 Å²	155	42.8 Å²	42.8	72%	0.724	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-47.3	-179.7	-62.8	-172.9	170.3	0	0	111.5	S128 L132 S133	S128-E130 PolarHBondContact O-N 3.42Å; E130-L132 VanDerWaalsContact C-N 3.33Å; E130-L132 PolarHBondContact O-N 2.77Å; E130-S133 WeakPolarHBondContact O-CB 3.26Å; E130-S133 PolarHBondContact O-N 2.91Å
131	E	90.1	Very high	94.3	Very high	82 Å²	82	41.7 Å²	41.7	38%	0.383	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-34.6	178.6	-70.7	165.3	159.3	0	0	111.8	R97 S128	R97-E131 IonicContact NE-OE1 3.5Å; R97-E131 PolarHBondContact NE-OE1 3.33Å; S128-E131 PolarHBondContact O-N 3.11Å; S128-E131 WeakPolarHBondContact OG-CB 3.47Å; S128-E131 WeakPolarHBondContact OG-CG 3.14Å; S128-E131 PolarHBondContact OG-N 2.93Å; S128-E131 VanDerWaalsContact OG-N 3.17Å; S128-E131 PolarHBondContact OG-OE2 2.8Å
132	L	93	Very high	94.3	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.042	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	5	-179.2	-64.2	172.5	0	0	0	113.8	A101 F113 T124 Y126 S128 E130 S134 F135 M136	A101-L132 HydrophobicContact CB-CD2 3.91Å; F113-L132 HydrophobicContact CE1-CB 4.43Å; F113-L132 HydrophobicContact CE1-CD1 4.15Å; T124-L132 HydrophobicContact CG2-CB 4.3Å; T124-L132 HydrophobicContact CG2-CD1 3.93Å; Y126-L132 WeakPolarHBondContact O-CD1 3.45Å; S128-L132 PolarHBondContact O-N 2.89Å; S128-L132 VanDerWaalsContact O-N 3.1Å; E130-L132 VanDerWaalsContact C-N 3.33Å; E130-L132 PolarHBondContact O-N 2.77Å; L132-S134 VanDerWaalsContact C-N 3.31Å; L132-S134 PolarHBondContact O-N 3.36Å; L132-F135 PolarHBondContact O-N 3.19Å; L132-M136 PolarHBondContact O-N 3.27Å; L132-M136 VanDerWaalsContact O-N 3.12Å
133	S	93.6	Very high	94.2	Very high	45 Å²	45	44.6 Å²	44.6	32%	0.315	26%	0.263	S	S	.	.	H	α-helix	trans	-62	-35	-176.7	-175.2	0	0	0	0	113.2	E129 E130 M136 G137	E129-S133 WeakPolarHBondContact O-CB 3.3Å; E129-S133 PolarHBondContact O-N 3.03Å; E129-S133 VanDerWaalsContact O-N 3.15Å; E130-S133 WeakPolarHBondContact O-CB 3.26Å; E130-S133 PolarHBondContact O-N 2.91Å; S133-M136 PolarHBondContact O-N 3.27Å; S133-G137 PolarHBondContact O-N 3.36Å
134	S	93.6	Very high	93.9	Very high	93 Å²	93	46.7 Å²	46.7	65%	0.65	28%	0.278	S	S	*	.	H	α-helix	trans	-65.1	-41.6	178.4	57.1	0	0	0	0	111.6	L132 G137 V138	L132-S134 VanDerWaalsContact C-N 3.31Å; L132-S134 PolarHBondContact O-N 3.36Å; S134-G137 WeakPolarHBondContact O-CA 3.41Å; S134-G137 PolarHBondContact O-N 2.98Å; S134-G137 VanDerWaalsContact O-N 3.15Å; S134-V138 PolarHBondContact O-N 3.17Å; S134-V138 VanDerWaalsContact O-N 3.14Å
135	F	93.6	Very high	93.8	Very high	45 Å²	45	53.6 Å²	53.6	20%	0.197	31%	0.307	C	S	.	.	H	α-helix	trans	-67.3	-38.4	177.3	-173	-104.4	0	0	0	112.3	A101 L105 F113 L132 G137 V138 I139	A101-F135 HydrophobicContact CB-CB 3.53Å; A101-F135 HydrophobicContact CB-CD1 4.11Å; A101-F135 HydrophobicContact CB-CD2 3.48Å; A101-F135 VanDerWaalsContact CB-CD2 3.48Å; A101-F135 HydrophobicContact CB-CE2 4.19Å; A101-F135 HydrophobicContact CB-CG 3.43Å; A101-F135 VanDerWaalsContact CB-CG 3.43Å; L105-F135 HydrophobicContact CD1-CE2 4.44Å; L105-F135 HydrophobicContact CD1-CZ 3.93Å; F113-F135 HydrophobicContact CD1-CD1 4.27Å; F113-F135 HydrophobicContact CD2-CE1 4.25Å; F113-F135 AromaticContact CE1-CD1 3.67Å; F113-F135 HydrophobicContact CE1-CD1 3.67Å; F113-F135 HydrophobicContact CE1-CE1 4.06Å; F113-F135 HydrophobicContact CE2-CD1 4.07Å; F113-F135 AromaticContact CE2-CE1 3.58Å; F113-F135 HydrophobicContact CE2-CE1 3.58Å; F113-F135 AromaticContact CZ-CD1 3.54Å; F113-F135 HydrophobicContact CZ-CD1 3.54Å; F113-F135 AromaticContact CZ-CE1 3.46Å; F113-F135 HydrophobicContact CZ-CE1 3.46Å; F113-F135 VanDerWaalsContact CZ-CE1 3.46Å; L132-F135 PolarHBondContact O-N 3.19Å; F135-G137 VanDerWaalsContact C-N 3.27Å; F135-G137 PolarHBondContact O-N 2.92Å; F135-V138 WeakPolarHBondContact O-CB 3.15Å; F135-V138 PolarHBondContact O-N 3.03Å; F135-V138 VanDerWaalsContact O-N 3.1Å; F135-I139 HydrophobicContact CD1-CD1 3.85Å; F135-I139 HydrophobicContact CD1-CG1 4.41Å; F135-I139 HydrophobicContact CE1-CD1 3.68Å; F135-I139 HydrophobicContact CE1-CG1 4.18Å; F135-I139 PolarHBondContact O-N 2.72Å
136	M	95.8	Very high	93.6	Very high	0 Å²	0	55 Å²	55	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-62.4	-35.7	170.9	-70.1	-164.8	-172.1	0	0	112.4	F113 L115 P121 Y123 T124 L132 S133 V138 I139 Q140	F113-M136 HydrophobicContact CB-CE 4.12Å; F113-M136 HydrophobicContact CB-CG 4.48Å; F113-M136 HydrophobicContact CD1-CE 3.82Å; F113-M136 HydrophobicContact CD1-CG 4.09Å; F113-M136 HydrophobicContact CG-CE 4.48Å; L115-M136 HydrophobicContact CB-CB 4.42Å; L115-M136 HydrophobicContact CB-SD 3.87Å; L115-M136 HydrophobicContact CD1-CB 4.23Å; L115-M136 VanDerWaalsContact CD1-O 3.31Å; L115-M136 WeakPolarHBondContact CD1-O 3.4Å; P121-M136 WeakPolarHBondContact CA-SD 3.48Å; P121-M136 HydrophobicContact CB-CE 4Å; P121-M136 HydrophobicContact CB-SD 3.4Å; P121-M136 WeakPolarHBondContact CB-SD 3.48Å; Y123-M136 WeakPolarHBondContact O-CE 3.36Å; T124-M136 HydrophobicContact CG2-CE 3.07Å; L132-M136 PolarHBondContact O-N 3.27Å; L132-M136 VanDerWaalsContact O-N 3.12Å; S133-M136 PolarHBondContact O-N 3.27Å; M136-V138 VanDerWaalsContact C-N 3.3Å; M136-V138 PolarHBondContact O-N 3.46Å; M136-I139 PolarHBondContact O-N 3.49Å; M136-Q140 PolarHBondContact O-N 2.83Å
137	G	95.6	Very high	93.4	Very high	30 Å²	30	53.1 Å²	53.1	31%	0.309	31%	0.313	S	S	.	.	H	α-helix	trans	-58.3	-41.4	170.3	0	0	0	0	0	112.6	S133 S134 F135 Q140 A141	S133-G137 PolarHBondContact O-N 3.36Å; S134-G137 WeakPolarHBondContact O-CA 3.41Å; S134-G137 PolarHBondContact O-N 2.98Å; S134-G137 VanDerWaalsContact O-N 3.15Å; F135-G137 VanDerWaalsContact C-N 3.27Å; F135-G137 PolarHBondContact O-N 2.92Å; G137-Q140 PolarHBondContact O-N 3.05Å; G137-A141 WeakPolarHBondContact O-CB 3.24Å; G137-A141 PolarHBondContact O-N 2.91Å
138	V	95.2	Very high	93.2	Very high	79 Å²	79	55 Å²	55	48%	0.479	32%	0.319	S	S	.	.	H	α-helix	trans	-64.7	-44.6	174.5	179	0	0	0	0	111.5	S134 F135 M136 Q140 A141 L142	S134-V138 PolarHBondContact O-N 3.17Å; S134-V138 VanDerWaalsContact O-N 3.14Å; F135-V138 WeakPolarHBondContact O-CB 3.15Å; F135-V138 PolarHBondContact O-N 3.03Å; F135-V138 VanDerWaalsContact O-N 3.1Å; M136-V138 VanDerWaalsContact C-N 3.3Å; M136-V138 PolarHBondContact O-N 3.46Å; V138-Q140 VanDerWaalsContact C-N 3.32Å; V138-Q140 PolarHBondContact O-N 3.05Å; V138-A141 PolarHBondContact O-N 2.79Å; V138-L142 HydrophobicContact CG1-CD1 4.1Å; V138-L142 HydrophobicContact CG1-CG 4.4Å; V138-L142 WeakPolarHBondContact O-CG 3.34Å; V138-L142 PolarHBondContact O-N 2.86Å
139	I	96.6	Very high	92.8	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.026	33%	0.33	C	S	.	.	H	α-helix	trans	-56.5	-48	175	-70.5	168.4	0	0	0	110.6	F113 L115 F135 M136 A141 L142 V143 F171 I178 C180	F113-I139 HydrophobicContact CB-CD1 4.01Å; F113-I139 HydrophobicContact CD1-CD1 4.48Å; F113-I139 HydrophobicContact CD2-CD1 3.91Å; F113-I139 HydrophobicContact CE2-CD1 4.5Å; F113-I139 HydrophobicContact CG-CD1 3.89Å; L115-I139 HydrophobicContact CD1-CG2 4.35Å; L115-I139 HydrophobicContact CD2-CG2 3.92Å; F135-I139 HydrophobicContact CD1-CD1 3.85Å; F135-I139 HydrophobicContact CD1-CG1 4.41Å; F135-I139 HydrophobicContact CE1-CD1 3.68Å; F135-I139 HydrophobicContact CE1-CG1 4.18Å; F135-I139 PolarHBondContact O-N 2.72Å; M136-I139 PolarHBondContact O-N 3.49Å; I139-A141 PolarHBondContact O-N 2.73Å; I139-L142 PolarHBondContact O-N 3.45Å; I139-V143 WeakPolarHBondContact O-CG2 3.45Å; I139-V143 PolarHBondContact O-N 3.13Å; I139-F171 HydrophobicContact CG2-CD1 4.25Å; I139-F171 HydrophobicContact CG2-CE1 4.01Å; I139-I178 HydrophobicContact CG2-CG2 4.16Å; I139-C180 HydrophobicContact CD1-CB 4.02Å; I139-C180 HydrophobicContact CG2-CB 4.19Å
140	Q	96.5	Very high	91.7	Very high	48 Å²	48	55.1 Å²	55.1	22%	0.224	33%	0.331	C	S	.	.	H	α-helix	trans	-60	-46.2	178.5	-174.5	-81.4	-30.5	0	0	111.3	L115 E117 M136 G137 V138 L142 V143 S144 I178	L115-Q140 HydrophobicContact CD1-CB 3.73Å; E117-Q140 WeakPolarHBondContact O-CG 3.41Å; E117-Q140 PolarHBondContact O-NE2 3.19Å; M136-Q140 PolarHBondContact O-N 2.83Å; G137-Q140 PolarHBondContact O-N 3.05Å; V138-Q140 VanDerWaalsContact C-N 3.32Å; V138-Q140 PolarHBondContact O-N 3.05Å; Q140-L142 PolarHBondContact O-N 3.12Å; Q140-V143 PolarHBondContact O-N 3.15Å; Q140-S144 VanDerWaalsContact O-CB 3.24Å; Q140-S144 WeakPolarHBondContact O-CB 3.4Å; Q140-S144 PolarHBondContact O-N 3.34Å; Q140-I178 HydrophobicContact CG-CD1 4.23Å
141	A	96.4	Very high	90.6	Very high	51 Å²	51	55.6 Å²	55.6	42%	0.421	34%	0.339	S	S	.	.	H	α-helix	trans	-61.4	-43.4	179.4	0	0	0	0	0	111.8	G137 V138 I139 S144 F145	G137-A141 WeakPolarHBondContact O-CB 3.24Å; G137-A141 PolarHBondContact O-N 2.91Å; V138-A141 PolarHBondContact O-N 2.79Å; I139-A141 PolarHBondContact O-N 2.73Å; A141-S144 PolarHBondContact O-N 3.07Å; A141-F145 WeakPolarHBondContact O-CB 3.16Å; A141-F145 PolarHBondContact O-N 3.32Å
142	L	95.4	Very high	89.5	Confident	75 Å²	75	56.4 Å²	56.4	39%	0.393	35%	0.346	S	S	.	.	H	α-helix	trans	-62	-49.4	176.9	-73.1	171.3	0	0	0	112	V138 I139 Q140 S144 F145 V146 L159	V138-L142 HydrophobicContact CG1-CD1 4.1Å; V138-L142 HydrophobicContact CG1-CG 4.4Å; V138-L142 WeakPolarHBondContact O-CG 3.34Å; V138-L142 PolarHBondContact O-N 2.86Å; I139-L142 PolarHBondContact O-N 3.45Å; Q140-L142 PolarHBondContact O-N 3.12Å; L142-S144 VanDerWaalsContact C-N 3.35Å; L142-S144 PolarHBondContact O-N 3.39Å; L142-F145 PolarHBondContact O-N 3.49Å; L142-V146 WeakPolarHBondContact O-CG2 3.34Å; L142-V146 PolarHBondContact O-N 3.2Å; L142-V146 VanDerWaalsContact O-N 3.13Å; L142-L159 HydrophobicContact CB-CD2 4.27Å
143	V	95.2	Very high	88.3	Confident	7 Å²	7	65.5 Å²	65.5	4%	0.042	39%	0.388	C	S	.	.	H	α-helix	trans	-62.1	-45	179.2	171.6	0	0	0	0	110.6	I139 Q140 V146 S147 L159 F171 I178	I139-V143 WeakPolarHBondContact O-CG2 3.45Å; I139-V143 PolarHBondContact O-N 3.13Å; Q140-V143 PolarHBondContact O-N 3.15Å; V143-V146 PolarHBondContact O-N 3.15Å; V143-S147 PolarHBondContact O-N 3.3Å; V143-S147 VanDerWaalsContact O-N 3.08Å; V143-S147 PolarHBondContact O-OG 2.82Å; V143-L159 HydrophobicContact CG2-CD2 4.08Å; V143-F171 HydrophobicContact CG2-CD1 3.88Å; V143-F171 HydrophobicContact CG2-CE1 4.45Å; V143-I178 HydrophobicContact CB-CD1 4.23Å; V143-I178 HydrophobicContact CG1-CD1 4Å; V143-I178 HydrophobicContact CG1-CG1 4.36Å; V143-I178 HydrophobicContact CG1-CG2 4.47Å; V143-I178 HydrophobicContact CG2-CG2 3.96Å
144	S	92.8	Very high	87.1	Confident	47 Å²	47	72.9 Å²	72.9	33%	0.329	42%	0.418	S	S	.	.	H	α-helix	trans	-66.1	-37.4	179.2	-170.9	0	0	0	0	112.6	Q140 A141 L142 S147 S148	Q140-S144 VanDerWaalsContact O-CB 3.24Å; Q140-S144 WeakPolarHBondContact O-CB 3.4Å; Q140-S144 PolarHBondContact O-N 3.34Å; A141-S144 PolarHBondContact O-N 3.07Å; L142-S144 VanDerWaalsContact C-N 3.35Å; L142-S144 PolarHBondContact O-N 3.39Å; S144-S147 WeakPolarHBondContact CA-OG 3.41Å; S144-S147 PolarHBondContact O-OG 3.38Å; S144-S148 WeakPolarHBondContact O-CB 3.32Å; S144-S148 PolarHBondContact O-N 2.96Å; S144-S148 VanDerWaalsContact O-N 3.08Å; S144-S148 PolarHBondContact O-OG 3.45Å
145	F	93	Very high	86.1	Confident	152 Å²	152	71.8 Å²	71.8	67%	0.667	41%	0.41	S	S	*	.	H	α-helix	trans	-62.8	-49.9	177.9	175.2	-97.9	0	0	0	110.7	A141 L142 S147 S148 A149	A141-F145 WeakPolarHBondContact O-CB 3.16Å; A141-F145 PolarHBondContact O-N 3.32Å; L142-F145 PolarHBondContact O-N 3.49Å; F145-S147 PolarHBondContact O-N 3.2Å; F145-S148 PolarHBondContact O-N 3.22Å; F145-S148 VanDerWaalsContact O-N 3.17Å; F145-A149 PolarHBondContact O-N 3.4Å
146	V	92.6	Very high	85.4	Confident	41 Å²	41	72 Å²	72	25%	0.248	42%	0.42	C	S	.	.	H	α-helix	trans	-61.4	-45.1	178.5	175	0	0	0	0	110.8	L142 V143 S148 A149 D157 L159	L142-V146 WeakPolarHBondContact O-CG2 3.34Å; L142-V146 PolarHBondContact O-N 3.2Å; L142-V146 VanDerWaalsContact O-N 3.13Å; V143-V146 PolarHBondContact O-N 3.15Å; V146-S148 PolarHBondContact O-N 3.3Å; V146-A149 PolarHBondContact O-N 3.25Å; V146-D157 HydrophobicContact CG1-CB 3.96Å; V146-L159 HydrophobicContact CB-CB 4.19Å; V146-L159 HydrophobicContact CG1-CB 4.21Å; V146-L159 HydrophobicContact CG2-CB 4.2Å; V146-L159 HydrophobicContact CG2-CD1 4.5Å
147	S	88.6	Confident	85.2	Confident	24 Å²	24	76.5 Å²	76.5	17%	0.168	44%	0.444	C	S	.	.	H	α-helix	trans	-67	-19.9	179.3	65.9	0	0	0	0	114.7	V143 S144 F145 D157	V143-S147 PolarHBondContact O-N 3.3Å; V143-S147 VanDerWaalsContact O-N 3.08Å; V143-S147 PolarHBondContact O-OG 2.82Å; S144-S147 WeakPolarHBondContact CA-OG 3.41Å; S144-S147 PolarHBondContact O-OG 3.38Å; F145-S147 PolarHBondContact O-N 3.2Å; S147-D157 VanDerWaalsContact CA-O 3.24Å; S147-D157 WeakPolarHBondContact CA-O 3.42Å
148	S	86.2	Confident	85	Confident	88 Å²	88	80 Å²	80	62%	0.615	45%	0.452	S	S	*	.	H	α-helix	trans	-96.6	-13.6	178.5	-49.2	0	0	0	0	113.1	S144 F145 V146 G150	S144-S148 WeakPolarHBondContact O-CB 3.32Å; S144-S148 PolarHBondContact O-N 2.96Å; S144-S148 VanDerWaalsContact O-N 3.08Å; S144-S148 PolarHBondContact O-OG 3.45Å; F145-S148 PolarHBondContact O-N 3.22Å; F145-S148 VanDerWaalsContact O-N 3.17Å; V146-S148 PolarHBondContact O-N 3.3Å; S148-G150 VanDerWaalsContact C-N 3.32Å
149	A	82	Confident	85	Confident	60 Å²	60	77.3 Å²	77.3	50%	0.496	44%	0.435	S	S	.	.	H	α-helix	trans	-75	-23	-178.8	0	0	0	0	0	112.6	F145 V146	F145-A149 PolarHBondContact O-N 3.4Å; V146-A149 PolarHBondContact O-N 3.25Å
150	G	70.1	Confident	84.9	Confident	22 Å²	22	82.3 Å²	82.3	23%	0.227	46%	0.461	C	S	.	.			trans	-69.9	129.6	176.1	0	0	0	0	0	111.9	S148 N152	S148-G150 VanDerWaalsContact C-N 3.32Å; G150-N152 PolarHBondContact O-N 3.29Å
151	N	66.8	Low	84.9	Confident	165 Å²	165	82 Å²	82	88%	0.882	46%	0.464	S	S	*	.	S	Bend	trans	-69.4	-8	175.7	-71.6	-24.5	0	0	0	113.7
152	N	67.4	Low	84.8	Confident	100 Å²	100	83 Å²	83	54%	0.535	46%	0.462	S	S	.	.			trans	-112.3	106.2	-175.5	-65.5	-16	0	0	0	109.8	G150 E154 S155 A156	G150-N152 PolarHBondContact O-N 3.29Å; N152-E154 PolarHBondContact O-N 3.05Å; N152-S155 VanDerWaalsContact CB-OG 3.3Å; N152-S155 WeakPolarHBondContact CB-OG 3.46Å; N152-S155 PolarHBondContact ND2-OG 2.81Å; N152-S155 CarbonylContact O-C 3.57Å; N152-S155 VanDerWaalsContact O-C 3.29Å; N152-S155 PolarHBondContact O-N 2.83Å; N152-S155 VanDerWaalsContact O-N 3.11Å; N152-A156 PolarHBondContact O-N 2.81Å
153	E	66.5	Low	84.8	Confident	198 Å²	198	84.6 Å²	84.6	93%	0.925	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-59	-28.1	173.8	-67.2	-172.7	169.5	0	0	112.4
154	E	69.4	Low	84.6	Confident	201 Å²	201	88.3 Å²	88.3	94%	0.939	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-75.6	-22.6	178.9	-64.3	-174.9	175.1	0	0	113.5	N152	N152-E154 PolarHBondContact O-N 3.05Å
155	S	71.6	Confident	84.5	Confident	70 Å²	70	89.5 Å²	89.5	49%	0.49	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-137.9	57.2	-178	72.2	0	0	0	0	110.4	N152 D157	N152-S155 VanDerWaalsContact CB-OG 3.3Å; N152-S155 WeakPolarHBondContact CB-OG 3.46Å; N152-S155 PolarHBondContact ND2-OG 2.81Å; N152-S155 CarbonylContact O-C 3.57Å; N152-S155 VanDerWaalsContact O-C 3.29Å; N152-S155 PolarHBondContact O-N 2.83Å; N152-S155 VanDerWaalsContact O-N 3.11Å; S155-D157 PolarHBondContact O-N 3.3Å
156	A	80.6	Confident	84.3	Confident	48 Å²	48	86.6 Å²	86.6	40%	0.397	50%	0.501	S	S	.	.			trans	-57.4	133.5	175.9	0	0	0	0	0	110.5	N152	N152-A156 PolarHBondContact O-N 2.81Å
157	D	90.2	Very high	84.3	Confident	96 Å²	96	86.5 Å²	86.5	51%	0.513	50%	0.496	S	S	.	.			trans	-60.6	143.6	174.9	-70.5	-31.3	0	0	0	110.4	V146 S147 S155	V146-D157 HydrophobicContact CG1-CB 3.96Å; S147-D157 VanDerWaalsContact CA-O 3.24Å; S147-D157 WeakPolarHBondContact CA-O 3.42Å; S155-D157 PolarHBondContact O-N 3.3Å
158	E	91.5	Very high	84.7	Confident	103 Å²	103	87.9 Å²	87.9	48%	0.481	50%	0.498	S	S	.	.			trans	-115.8	128.2	177.4	-170.6	175.8	-172.6	0	0	110.1	I160 R173	E158-I160 PolarHBondContact O-N 3.2Å; E158-I160 VanDerWaalsContact O-N 3.15Å; E158-R173 WeakPolarHBondContact OE1-CB 3.23Å; E158-R173 PolarHBondContact OE1-N 3.11Å
159	L	94.9	Very high	85.2	Confident	22 Å²	22	84.8 Å²	84.8	12%	0.115	47%	0.474	C	S	.	.			trans	-70	109.4	168.3	-180	60.9	0	0	0	108.6	L142 V143 V146 L162 F171	L142-L159 HydrophobicContact CB-CD2 4.27Å; V143-L159 HydrophobicContact CG2-CD2 4.08Å; V146-L159 HydrophobicContact CB-CB 4.19Å; V146-L159 HydrophobicContact CG1-CB 4.21Å; V146-L159 HydrophobicContact CG2-CB 4.2Å; V146-L159 HydrophobicContact CG2-CD1 4.5Å; L159-L162 HydrophobicContact CD1-CD2 3.93Å; L159-L162 HydrophobicContact CD1-CG 4.1Å; L159-F171 HydrophobicContact CD2-CD1 4.13Å; L159-F171 HydrophobicContact CD2-CD2 3.86Å; L159-F171 HydrophobicContact CD2-CE1 4.08Å; L159-F171 HydrophobicContact CD2-CE2 3.82Å; L159-F171 HydrophobicContact CD2-CG 4.03Å; L159-F171 HydrophobicContact CD2-CZ 3.94Å; L159-F171 HydrophobicContact CG-CD2 3.75Å; L159-F171 HydrophobicContact CG-CE2 4.09Å; L159-F171 HydrophobicContact CG-CG 4.08Å; L159-F171 VanDerWaalsContact O-CB 3.31Å; L159-F171 WeakPolarHBondContact O-CB 3.27Å
160	I	95.5	Very high	86	Confident	111 Å²	111	82 Å²	82	57%	0.569	45%	0.451	S	S	*	.			trans	-93.1	-47.6	-178.6	-62.7	168.9	0	0	0	111.1	E158 F171	E158-I160 PolarHBondContact O-N 3.2Å; E158-I160 VanDerWaalsContact O-N 3.15Å; I160-F171 PolarHBondContact O-N 2.79Å
161	S	96.3	Very high	87.3	Confident	42 Å²	42	81.4 Å²	81.4	29%	0.294	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	156.8	-174.9	58.2	0	0	0	0	113.3	L169	S161-L169 CarbonylContact C-O 3.55Å; S161-L169 WeakPolarHBondContact CA-O 3.09Å; S161-L169 VanDerWaalsContact CB-O 3.27Å; S161-L169 WeakPolarHBondContact CB-O 3.47Å
162	L	95.3	Very high	88.8	Confident	71 Å²	71	73.9 Å²	73.9	37%	0.372	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	147.1	169.5	-58.6	169.6	0	0	0	109.4	L159 L169 F171	L159-L162 HydrophobicContact CD1-CD2 3.93Å; L159-L162 HydrophobicContact CD1-CG 4.1Å; L162-L169 HydrophobicContact CB-CB 4.18Å; L162-L169 PolarHBondContact N-O 3.36Å; L162-L169 PolarHBondContact O-N 3.25Å; L162-F171 HydrophobicContact CB-CE2 4.42Å; L162-F171 HydrophobicContact CD1-CE2 3.81Å; L162-F171 HydrophobicContact CD1-CZ 3.94Å; L162-F171 HydrophobicContact CG-CE2 3.88Å
163	E	94.4	Very high	90.1	Very high	109 Å²	109	73.3 Å²	73.3	51%	0.509	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.1	173.3	-168.8	161.4	-157.4	0	0	108.9	Y167 R168 Y189	E163-Y167 WeakPolarHBondContact CA-O 3.27Å; E163-R168 HydrophobicContact CG-CG 4.21Å; E163-R168 IonicContact OE1-CZ 3.42Å; E163-R168 IonicContact OE1-NE 2.83Å; E163-R168 PolarHBondContact OE1-NE 3.32Å; E163-R168 IonicContact OE1-NH2 3.73Å; E163-Y189 WeakPolarHBondContact CB-OH 3.37Å; E163-Y189 PolarHBondContact OE2-OH 2.83Å
164	T	91.6	Very high	91.5	Very high	85 Å²	85	67.6 Å²	67.6	52%	0.521	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	113.4	178.1	179.9	0	0	0	0	110.1	L166 Y167 L169	T164-L166 PolarHBondContact O-N 3.25Å; T164-L166 VanDerWaalsContact O-N 3.11Å; T164-Y167 PolarHBondContact N-O 3.47Å; T164-Y167 WeakPolarHBondContact O-CB 3.47Å; T164-Y167 PolarHBondContact O-N 3.38Å; T164-L169 HydrophobicContact CG2-CD1 4.12Å
165	G	89.9	Confident	92.6	Very high	72 Å²	72	61.6 Å²	61.6	74%	0.742	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	-116.9	-172.8	0	0	0	0	0	111.6
166	L	88.7	Confident	93.8	Very high	91 Å²	91	58.9 Å²	58.9	48%	0.476	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-6.7	178.4	-60	179	0	0	0	113.7	T79 T164 R184	T79-L166 HydrophobicContact CG2-CD2 3.69Å; T164-L166 PolarHBondContact O-N 3.25Å; T164-L166 VanDerWaalsContact O-N 3.11Å; L166-R184 HydrophobicContact CB-CG 4.36Å
167	Y	93.5	Very high	94.6	Very high	39 Å²	39	56.6 Å²	56.6	15%	0.153	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	127.5	-173.7	-63.2	-89.8	0	0	0	110.8	L105 H106 E163 T164 V182 R184	L105-Y167 HydrophobicContact CB-CE1 4.13Å; L105-Y167 WeakPolarHBondContact O-CE1 3.47Å; L105-Y167 PolarHBondContact O-OH 3.18Å; H106-Y167 PolarHBondContact CE1-OH 3.28Å; H106-Y167 PolarHBondContact ND1-OH 2.88Å; H106-Y167 VanDerWaalsContact ND1-OH 3.09Å; E163-Y167 WeakPolarHBondContact CA-O 3.27Å; T164-Y167 PolarHBondContact N-O 3.47Å; T164-Y167 WeakPolarHBondContact O-CB 3.47Å; T164-Y167 PolarHBondContact O-N 3.38Å; Y167-V182 HydrophobicContact CD1-CG1 3.83Å; Y167-R184 HydrophobicContact CD1-CG 3.4Å; Y167-R184 VanDerWaalsContact CD1-CG 3.4Å; Y167-R184 HydrophobicContact CD2-CG 4.46Å; Y167-R184 HydrophobicContact CE1-CG 3.5Å; Y167-R184 HydrophobicContact CG-CG 3.93Å
168	R	95.7	Very high	95	Very high	52 Å²	52	52.2 Å²	52.2	20%	0.196	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124.4	163.5	-67.7	-177.9	-170.9	134.6	7.7	109.2	E163 V182 S183 G186 D187 Y189 L192	E163-R168 HydrophobicContact CG-CG 4.21Å; E163-R168 IonicContact OE1-CZ 3.42Å; E163-R168 IonicContact OE1-NE 2.83Å; E163-R168 PolarHBondContact OE1-NE 3.32Å; E163-R168 IonicContact OE1-NH2 3.73Å; R168-V182 CarbonylContact O-C 3.58Å; R168-V182 WeakPolarHBondContact O-CA 3.3Å; R168-S183 PolarHBondContact N-O 2.8Å; R168-S183 PolarHBondContact O-N 3.24Å; R168-G186 VanDerWaalsContact NH1-C 3.33Å; R168-G186 PolarHBondContact NH1-O 3.21Å; R168-D187 PolarHBondContact NH1-O 2.81Å; R168-Y189 HydrophobicContact CB-CE1 4.23Å; R168-Y189 HydrophobicContact CG-CE1 4.12Å; R168-L192 HydrophobicContact CB-CD1 4.09Å
169	L	97.4	Very high	95.3	Very high	24 Å²	24	47.3 Å²	47.3	13%	0.126	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.3	173.1	-63.4	78.6	0	0	0	107.3	S161 L162 T164 F171 I181 V182	S161-L169 CarbonylContact C-O 3.55Å; S161-L169 WeakPolarHBondContact CA-O 3.09Å; S161-L169 VanDerWaalsContact CB-O 3.27Å; S161-L169 WeakPolarHBondContact CB-O 3.47Å; L162-L169 HydrophobicContact CB-CB 4.18Å; L162-L169 PolarHBondContact N-O 3.36Å; L162-L169 PolarHBondContact O-N 3.25Å; T164-L169 HydrophobicContact CG2-CD1 4.12Å; L169-F171 HydrophobicContact CB-CE2 3.75Å; L169-F171 HydrophobicContact CB-CZ 4.06Å; L169-F171 HydrophobicContact CD2-CZ 4.12Å; L169-I181 CarbonylContact C-O 3.58Å; L169-I181 VanDerWaalsContact CA-O 3.29Å; L169-I181 WeakPolarHBondContact CA-O 3.47Å; L169-V182 HydrophobicContact CD1-CG1 4.25Å; L169-V182 HydrophobicContact CD2-CG2 4.06Å; L169-V182 HydrophobicContact CG-CB 4.37Å; L169-V182 HydrophobicContact CG-CG1 4Å; L169-V182 HydrophobicContact CG-CG2 3.87Å
170	V	98.1	Very high	95.5	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	137.2	172.3	175	0	0	0	0	108.1	C180 I181 Y189 L192 L196	V170-C180 CarbonylContact O-C 3.54Å; V170-C180 WeakPolarHBondContact O-CA 3.49Å; V170-I181 HydrophobicContact CB-CG2 3.74Å; V170-I181 HydrophobicContact CG1-CG2 4.49Å; V170-I181 PolarHBondContact N-O 3.33Å; V170-I181 PolarHBondContact O-N 3.31Å; V170-Y189 HydrophobicContact CG2-CD1 3.73Å; V170-L192 HydrophobicContact CB-CB 4.03Å; V170-L192 HydrophobicContact CG1-CB 4.5Å; V170-L192 HydrophobicContact CG2-CB 3.77Å; V170-L192 HydrophobicContact CG2-CD1 3.87Å; V170-L192 HydrophobicContact CG2-CG 4.49Å; V170-L196 HydrophobicContact CG1-CD1 4.3Å; V170-L196 WeakPolarHBondContact O-CD1 3.38Å
171	F	98.4	Very high	95.6	Very high	9 Å²	9	41 Å²	41	4%	0.039	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	148.8	-178.8	-58.1	-97.1	0	0	0	108.6	I139 V143 L159 I160 L162 L169 L179 C180	I139-F171 HydrophobicContact CG2-CD1 4.25Å; I139-F171 HydrophobicContact CG2-CE1 4.01Å; V143-F171 HydrophobicContact CG2-CD1 3.88Å; V143-F171 HydrophobicContact CG2-CE1 4.45Å; L159-F171 HydrophobicContact CD2-CD1 4.13Å; L159-F171 HydrophobicContact CD2-CD2 3.86Å; L159-F171 HydrophobicContact CD2-CE1 4.08Å; L159-F171 HydrophobicContact CD2-CE2 3.82Å; L159-F171 HydrophobicContact CD2-CG 4.03Å; L159-F171 HydrophobicContact CD2-CZ 3.94Å; L159-F171 HydrophobicContact CG-CD2 3.75Å; L159-F171 HydrophobicContact CG-CE2 4.09Å; L159-F171 HydrophobicContact CG-CG 4.08Å; L159-F171 VanDerWaalsContact O-CB 3.31Å; L159-F171 WeakPolarHBondContact O-CB 3.27Å; I160-F171 PolarHBondContact O-N 2.79Å; L162-F171 HydrophobicContact CB-CE2 4.42Å; L162-F171 HydrophobicContact CD1-CE2 3.81Å; L162-F171 HydrophobicContact CD1-CZ 3.94Å; L162-F171 HydrophobicContact CG-CE2 3.88Å; L169-F171 HydrophobicContact CB-CE2 3.75Å; L169-F171 HydrophobicContact CB-CZ 4.06Å; L169-F171 HydrophobicContact CD2-CZ 4.12Å; F171-L179 CarbonylContact C-O 3.29Å; F171-L179 WeakPolarHBondContact CA-O 3.41Å; F171-C180 HydrophobicContact CD1-CB 3.92Å; F171-C180 HydrophobicContact CE1-CB 4.06Å; F171-C180 WeakPolarHBondContact CE1-SG 3.17Å
172	S	97.5	Very high	95.6	Very high	7 Å²	7	39.2 Å²	39.2	5%	0.049	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	109.3	175	178.7	0	0	0	0	107.7	K174 L179	S172-K174 WeakPolarHBondContact OG-CE 3.46Å; S172-L179 PolarHBondContact N-O 3.11Å; S172-L179 PolarHBondContact O-N 3.33Å
173	R	95.6	Very high	95.7	Very high	87 Å²	87	36 Å²	36	33%	0.328	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	119.8	175.2	-168.3	178.2	172.3	-150.5	-1.5	108.9	E117 E158 P175 I178	E117-R173 IonicContact OE1-CZ 2.92Å; E117-R173 VanDerWaalsContact OE1-CZ 3.31Å; E117-R173 IonicContact OE1-NE 2.83Å; E117-R173 PolarHBondContact OE1-NE 2.81Å; E117-R173 IonicContact OE1-NH2 3.69Å; E117-R173 PolarHBondContact OE1-NH2 2.91Å; E158-R173 WeakPolarHBondContact OE1-CB 3.23Å; E158-R173 PolarHBondContact OE1-N 3.11Å; R173-P175 HydrophobicContact CG-CG 4.49Å; R173-I178 HydrophobicContact CG-CG1 4.5Å
174	K	95.3	Very high	95.6	Very high	79 Å²	79	32.3 Å²	32.3	34%	0.343	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	79.6	178.4	-62.2	-64.2	171.8	-153.8	0	108.3	S172 L177 L179 Y200	S172-K174 WeakPolarHBondContact OG-CE 3.46Å; K174-L177 CarbonylContact C-O 3.59Å; K174-L177 PolarHBondContact N-O 3.17Å; K174-L177 WeakPolarHBondContact O-CA 3.36Å; K174-L177 WeakPolarHBondContact O-CB 3.24Å; K174-L177 PolarHBondContact O-N 3.07Å; K174-L177 VanDerWaalsContact O-O 3.09Å; K174-L179 HydrophobicContact CB-CD1 4.32Å; K174-L179 HydrophobicContact CG-CD1 4.37Å; K174-Y200 HydrophobicContact CB-CD1 4.37Å; K174-Y200 HydrophobicContact CB-CD2 3.57Å; K174-Y200 HydrophobicContact CB-CE1 4.25Å; K174-Y200 HydrophobicContact CB-CE2 3.41Å; K174-Y200 VanDerWaalsContact CB-CE2 3.41Å; K174-Y200 HydrophobicContact CB-CG 4.06Å; K174-Y200 HydrophobicContact CD-CD1 4.45Å; K174-Y200 HydrophobicContact CD-CE1 4.43Å; K174-Y200 HydrophobicContact CG-CD1 4.1Å; K174-Y200 HydrophobicContact CG-CD2 3.94Å; K174-Y200 HydrophobicContact CG-CE1 4.31Å; K174-Y200 HydrophobicContact CG-CE2 4.16Å; K174-Y200 HydrophobicContact CG-CG 3.91Å
175	P	93.1	Very high	95.6	Very high	75 Å²	75	29.8 Å²	29.8	49%	0.487	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	128.4	-173.9	-28	35.2	0	0	0	111.2	R173	R173-P175 HydrophobicContact CG-CG 4.49Å
176	P	96	Very high	95.4	Very high	12 Å²	12	27.7 Å²	27.7	8%	0.078	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.2	18	14.9	37.3	-36.4	0	0	0	115.5	S116 E117 L212 F216	S116-P176 WeakPolarHBondContact CA-O 3.44Å; E117-P176 PolarHBondContact N-O 2.86Å; P176-L212 HydrophobicContact CG-CD1 4.02Å; P176-L212 HydrophobicContact CG-CD2 4.43Å; P176-L212 HydrophobicContact CG-CG 3.84Å; P176-F216 HydrophobicContact CB-CB 3.63Å; P176-F216 HydrophobicContact CB-CD1 4.02Å; P176-F216 HydrophobicContact CB-CD2 3.74Å; P176-F216 HydrophobicContact CB-CE2 4.37Å; P176-F216 HydrophobicContact CB-CG 3.51Å; P176-F216 HydrophobicContact CG-CB 3.87Å; P176-F216 HydrophobicContact CG-CD1 4.46Å; P176-F216 HydrophobicContact CG-CD2 3.27Å; P176-F216 HydrophobicContact CG-CE2 3.86Å; P176-F216 HydrophobicContact CG-CG 3.61Å
177	L	97.9	Very high	95.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	150.1	-174.7	-58.7	-179.9	0	0	0	113	V114 L115 V122 K174 L179 Y200 I203 L212 L224	V114-L177 HydrophobicContact CG1-CD1 4.37Å; L115-L177 WeakPolarHBondContact O-CA 3.27Å; V122-L177 HydrophobicContact CG2-CD2 4.2Å; K174-L177 CarbonylContact C-O 3.59Å; K174-L177 PolarHBondContact N-O 3.17Å; K174-L177 WeakPolarHBondContact O-CA 3.36Å; K174-L177 WeakPolarHBondContact O-CB 3.24Å; K174-L177 PolarHBondContact O-N 3.07Å; K174-L177 VanDerWaalsContact O-O 3.09Å; L177-L179 HydrophobicContact CB-CD1 4.08Å; L177-Y200 HydrophobicContact CD1-CD2 4.27Å; L177-Y200 HydrophobicContact CD1-CE2 4.33Å; L177-I203 HydrophobicContact CD1-CD1 4.05Å; L177-I203 HydrophobicContact CD1-CG2 4.08Å; L177-L212 HydrophobicContact CD1-CD2 4.08Å; L177-L212 HydrophobicContact CG-CD2 4.46Å; L177-L224 HydrophobicContact CD1-CD2 4.36Å; L177-L224 HydrophobicContact CD2-CD2 4Å
178	I	98.1	Very high	95.6	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.026	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.4	165.8	-59.4	167.1	0	0	0	106.5	L115 E117 I139 Q140 V143 R173	L115-I178 HydrophobicContact CD1-CB 4.47Å; L115-I178 HydrophobicContact CD2-CB 4.04Å; L115-I178 HydrophobicContact CD2-CG2 4.07Å; L115-I178 VanDerWaalsContact CD2-O 3.26Å; L115-I178 WeakPolarHBondContact CD2-O 3.32Å; L115-I178 HydrophobicContact CG-CB 3.98Å; L115-I178 HydrophobicContact CG-CG2 4.47Å; L115-I178 PolarHBondContact N-O 3.34Å; L115-I178 PolarHBondContact O-N 3.48Å; E117-I178 HydrophobicContact CG-CD1 4.39Å; E117-I178 HydrophobicContact CG-CG1 4.21Å; I139-I178 HydrophobicContact CG2-CG2 4.16Å; Q140-I178 HydrophobicContact CG-CD1 4.23Å; V143-I178 HydrophobicContact CB-CD1 4.23Å; V143-I178 HydrophobicContact CG1-CD1 4Å; V143-I178 HydrophobicContact CG1-CG1 4.36Å; V143-I178 HydrophobicContact CG1-CG2 4.47Å; V143-I178 HydrophobicContact CG2-CG2 3.96Å; R173-I178 HydrophobicContact CG-CG1 4.5Å
179	L	98.6	Very high	95.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.7	175.1	-61.7	85.5	0	0	0	109.1	F113 V114 F171 S172 K174 L177 L196 L199 Y200	F113-L179 WeakPolarHBondContact O-CA 3.23Å; V114-L179 HydrophobicContact CG1-CG 4.19Å; V114-L179 HydrophobicContact CG2-CD2 4.03Å; V114-L179 HydrophobicContact CG2-CG 4.06Å; F171-L179 CarbonylContact C-O 3.29Å; F171-L179 WeakPolarHBondContact CA-O 3.41Å; S172-L179 PolarHBondContact N-O 3.11Å; S172-L179 PolarHBondContact O-N 3.33Å; K174-L179 HydrophobicContact CB-CD1 4.32Å; K174-L179 HydrophobicContact CG-CD1 4.37Å; L177-L179 HydrophobicContact CB-CD1 4.08Å; L179-L196 HydrophobicContact CB-CB 4.46Å; L179-L196 HydrophobicContact CB-CD1 4.18Å; L179-L196 HydrophobicContact CB-CD2 3.93Å; L179-L196 HydrophobicContact CB-CG 4.43Å; L179-L199 HydrophobicContact CD2-CB 4.36Å; L179-L199 HydrophobicContact CD2-CD2 4.34Å; L179-L199 HydrophobicContact CD2-CG 4.36Å; L179-Y200 HydrophobicContact CD1-CD2 4.18Å
180	C	98.3	Very high	95.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	134.7	176	-178.7	0	0	0	0	109.7	V112 F113 I139 V170 F171	V112-C180 WeakPolarHBondContact CA-O 3.25Å; F113-C180 HydrophobicContact CB-CB 4.36Å; F113-C180 PolarHBondContact N-O 2.96Å; F113-C180 PolarHBondContact O-N 3.48Å; I139-C180 HydrophobicContact CD1-CB 4.02Å; I139-C180 HydrophobicContact CG2-CB 4.19Å; V170-C180 CarbonylContact O-C 3.54Å; V170-C180 WeakPolarHBondContact O-CA 3.49Å; F171-C180 HydrophobicContact CD1-CB 3.92Å; F171-C180 HydrophobicContact CE1-CB 4.06Å; F171-C180 WeakPolarHBondContact CE1-SG 3.17Å
181	I	98.2	Very high	95.3	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131.7	172.1	-176.2	162	0	0	0	108.8	K110 V112 L169 V170 L192 Q195 L196	K110-I181 HydrophobicContact CD-CD1 3.96Å; K110-I181 HydrophobicContact CD-CG1 4.44Å; K110-I181 HydrophobicContact CG-CD1 4.28Å; K110-I181 HydrophobicContact CG-CG1 4.22Å; V112-I181 HydrophobicContact CG2-CB 4.28Å; V112-I181 HydrophobicContact CG2-CD1 3.9Å; V112-I181 HydrophobicContact CG2-CG1 3.85Å; L169-I181 CarbonylContact C-O 3.58Å; L169-I181 VanDerWaalsContact CA-O 3.29Å; L169-I181 WeakPolarHBondContact CA-O 3.47Å; V170-I181 HydrophobicContact CB-CG2 3.74Å; V170-I181 HydrophobicContact CG1-CG2 4.49Å; V170-I181 PolarHBondContact N-O 3.33Å; V170-I181 PolarHBondContact O-N 3.31Å; I181-L192 HydrophobicContact CD1-CD2 3.71Å; I181-L192 HydrophobicContact CG1-CD2 4.04Å; I181-L192 HydrophobicContact CG2-CB 3.8Å; I181-L192 HydrophobicContact CG2-CD2 4.33Å; I181-L192 HydrophobicContact CG2-CG 4.46Å; I181-Q195 HydrophobicContact CD1-CB 4.08Å; I181-L196 HydrophobicContact CB-CD1 4.36Å; I181-L196 HydrophobicContact CB-CD2 3.68Å; I181-L196 HydrophobicContact CB-CG 4.02Å; I181-L196 HydrophobicContact CG2-CD1 3.79Å; I181-L196 HydrophobicContact CG2-CD2 3.94Å; I181-L196 HydrophobicContact CG2-CG 3.67Å
182	V	96.9	Very high	95.2	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.024	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.3	177.1	-172.7	0	0	0	0	107.4	L105 K110 Q111 F113 Y167 R168 L169	L105-V182 HydrophobicContact CD2-CB 3.91Å; L105-V182 HydrophobicContact CD2-CG1 3.84Å; L105-V182 HydrophobicContact CD2-CG2 4.15Å; K110-V182 CarbonylContact C-O 3.59Å; K110-V182 VanDerWaalsContact CA-O 3.24Å; K110-V182 WeakPolarHBondContact CA-O 3.37Å; Q111-V182 PolarHBondContact N-O 3.27Å; Q111-V182 PolarHBondContact O-N 2.91Å; F113-V182 HydrophobicContact CD2-CG2 4.38Å; F113-V182 HydrophobicContact CE2-CG2 3.93Å; Y167-V182 HydrophobicContact CD1-CG1 3.83Å; R168-V182 CarbonylContact O-C 3.58Å; R168-V182 WeakPolarHBondContact O-CA 3.3Å; L169-V182 HydrophobicContact CD1-CG1 4.25Å; L169-V182 HydrophobicContact CD2-CG2 4.06Å; L169-V182 HydrophobicContact CG-CB 4.37Å; L169-V182 HydrophobicContact CG-CG1 4Å; L169-V182 HydrophobicContact CG-CG2 3.87Å
183	S	96.1	Very high	95.2	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	142	-177.8	-174.2	0	0	0	0	111.9	K110 R168 L185 D187	K110-S183 WeakPolarHBondContact CE-OG 3.48Å; R168-S183 PolarHBondContact N-O 2.8Å; R168-S183 PolarHBondContact O-N 3.24Å; S183-L185 PolarHBondContact OG-N 3.29Å; S183-L185 VanDerWaalsContact OG-N 3.1Å; S183-D187 PolarHBondContact OG-OD2 3.09Å
184	R	93.3	Very high	95.2	Very high	32 Å²	32	25.8 Å²	25.8	12%	0.121	14%	0.143	C	C	.	.			trans	-111.3	3.1	165.6	-65.4	-173.1	-78.3	135.1	-1.5	112.8	L83 L105 H106 Y108 P109 L166 Y167 G186	L83-R184 HydrophobicContact CD1-CB 4.27Å; L83-R184 WeakPolarHBondContact CD1-O 3.47Å; L83-R184 WeakPolarHBondContact CD2-O 3.39Å; L105-R184 PolarHBondContact O-NH2 2.72Å; H106-R184 PolarHBondContact O-NH2 3.43Å; Y108-R184 PolarHBondContact O-NH2 3.42Å; P109-R184 PolarHBondContact O-N 2.94Å; L166-R184 HydrophobicContact CB-CG 4.36Å; Y167-R184 HydrophobicContact CD1-CG 3.4Å; Y167-R184 VanDerWaalsContact CD1-CG 3.4Å; Y167-R184 HydrophobicContact CD2-CG 4.46Å; Y167-R184 HydrophobicContact CE1-CG 3.5Å; Y167-R184 HydrophobicContact CG-CG 3.93Å; R184-G186 PolarHBondContact O-N 3.27Å; R184-G186 VanDerWaalsContact O-N 3.14Å
185	L	91.2	Very high	95.3	Very high	32 Å²	32	22.9 Å²	22.9	17%	0.168	13%	0.131	C	C	.	.	S	Bend	trans	-76.6	7.3	-176.7	-65.7	178.9	0	0	0	114.3	F80 L83 I87 P109 K110 S183 D187 E243	F80-L185 WeakPolarHBondContact CE2-O 3.49Å; F80-L185 WeakPolarHBondContact CZ-O 3.23Å; L83-L185 HydrophobicContact CD2-CD2 4.24Å; I87-L185 HydrophobicContact CD1-CD2 4.1Å; P109-L185 HydrophobicContact CB-CD2 3.61Å; P109-L185 HydrophobicContact CB-CG 3.96Å; P109-L185 HydrophobicContact CG-CD2 4.18Å; K110-L185 HydrophobicContact CB-CD1 4.23Å; S183-L185 PolarHBondContact OG-N 3.29Å; S183-L185 VanDerWaalsContact OG-N 3.1Å; L185-D187 WeakPolarHBondContact CB-OD2 3.14Å; L185-D187 PolarHBondContact O-N 3.41Å; L185-E243 HydrophobicContact CD1-CG 4.15Å
186	G	86.5	Confident	95.5	Very high	28 Å²	28	19.4 Å²	19.4	29%	0.289	11%	0.108	S	C	.	.			trans	73.2	6.7	-179.1	0	0	0	0	0	115	R168 R184	R168-G186 VanDerWaalsContact NH1-C 3.33Å; R168-G186 PolarHBondContact NH1-O 3.21Å; R184-G186 PolarHBondContact O-N 3.27Å; R184-G186 VanDerWaalsContact O-N 3.14Å
187	D	92.6	Very high	95.6	Very high	7 Å²	7	20.5 Å²	20.5	4%	0.037	11%	0.114	C	C	.	.			trans	-51.3	140.4	171.5	-55.8	-93.9	0	0	0	110.8	K110 R168 S183 L185 Q191 L192 Q195	K110-D187 WeakPolarHBondContact CE-OD2 3.5Å; K110-D187 IonicContact NZ-OD1 2.78Å; K110-D187 PolarHBondContact NZ-OD1 3.09Å; K110-D187 IonicContact NZ-OD2 3.71Å; K110-D187 PolarHBondContact NZ-OD2 3.38Å; R168-D187 PolarHBondContact NH1-O 2.81Å; S183-D187 PolarHBondContact OG-OD2 3.09Å; L185-D187 WeakPolarHBondContact CB-OD2 3.14Å; L185-D187 PolarHBondContact O-N 3.41Å; D187-Q191 HydrophobicContact CB-CB 4.44Å; D187-L192 HydrophobicContact CB-CD1 4.21Å; D187-L192 HydrophobicContact CB-CD2 3.56Å; D187-L192 HydrophobicContact CB-CG 3.64Å; D187-Q195 PolarHBondContact OD1-NE2 3.02Å
188	S	93.3	Very high	95.6	Very high	18 Å²	18	21 Å²	21	13%	0.126	12%	0.118	C	C	.	.			trans	-71.6	156.7	170.5	63.5	0	0	0	0	112.1	S190 Q191 L192	S188-S190 PolarHBondContact O-N 3.25Å; S188-S190 PolarHBondContact OG-OG 3.44Å; S188-Q191 WeakPolarHBondContact O-CB 3.49Å; S188-Q191 PolarHBondContact O-N 2.87Å; S188-Q191 VanDerWaalsContact OG-CG 3.32Å; S188-Q191 WeakPolarHBondContact OG-CG 3.42Å; S188-Q191 PolarHBondContact OG-N 3.39Å; S188-Q191 PolarHBondContact OG-OE1 2.86Å; S188-L192 PolarHBondContact O-N 3.01Å
189	Y	94.4	Very high	95.6	Very high	82 Å²	82	20.8 Å²	20.8	32%	0.322	12%	0.117	S	C	.	.	H	α-helix	trans	-52.5	-39.9	176.7	-62.6	-66.2	0	0	0	113.2	E163 R168 V170 L192 S193	E163-Y189 WeakPolarHBondContact CB-OH 3.37Å; E163-Y189 PolarHBondContact OE2-OH 2.83Å; R168-Y189 HydrophobicContact CB-CE1 4.23Å; R168-Y189 HydrophobicContact CG-CE1 4.12Å; V170-Y189 HydrophobicContact CG2-CD1 3.73Å; Y189-L192 PolarHBondContact O-N 3.41Å; Y189-S193 VanDerWaalsContact O-CB 3.27Å; Y189-S193 WeakPolarHBondContact O-CB 3.32Å; Y189-S193 PolarHBondContact O-N 3.17Å
190	S	93.3	Very high	95.6	Very high	57 Å²	57	22.4 Å²	22.4	40%	0.399	12%	0.123	S	C	.	.	H	α-helix	trans	-71.4	-32.8	179.4	61.9	0	0	0	0	113.1	S188 R194	S188-S190 PolarHBondContact O-N 3.25Å; S188-S190 PolarHBondContact OG-OG 3.44Å; S190-R194 WeakPolarHBondContact O-CB 3.23Å; S190-R194 PolarHBondContact O-N 3.14Å; S190-R194 VanDerWaalsContact O-N 3.15Å
191	Q	95.7	Very high	95.5	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.028	14%	0.136	C	C	.	.	H	α-helix	trans	-67.6	-46.1	173	-75.4	158.5	-29.6	0	0	110.8	D187 S188 R194 Q195 M249 A445 H448	D187-Q191 HydrophobicContact CB-CB 4.44Å; S188-Q191 WeakPolarHBondContact O-CB 3.49Å; S188-Q191 PolarHBondContact O-N 2.87Å; S188-Q191 VanDerWaalsContact OG-CG 3.32Å; S188-Q191 WeakPolarHBondContact OG-CG 3.42Å; S188-Q191 PolarHBondContact OG-N 3.39Å; S188-Q191 PolarHBondContact OG-OE1 2.86Å; Q191-R194 PolarHBondContact O-N 2.94Å; Q191-Q195 WeakPolarHBondContact O-CG 3.46Å; Q191-Q195 PolarHBondContact O-N 3.1Å; Q191-M249 HydrophobicContact CG-CG 4.22Å; Q191-M249 PolarHBondContact NE2-SD 3.37Å; Q191-M249 VanDerWaalsContact NE2-SD 3.44Å; Q191-A445 PolarHBondContact NE2-O 3.05Å; Q191-H448 PolarHBondContact NE2-ND1 2.83Å
192	L	97.2	Very high	95.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.5	-44.6	177.8	-67.7	179.4	0	0	0	112.4	R168 V170 I181 D187 S188 Y189 R194 Q195 L196	R168-L192 HydrophobicContact CB-CD1 4.09Å; V170-L192 HydrophobicContact CB-CB 4.03Å; V170-L192 HydrophobicContact CG1-CB 4.5Å; V170-L192 HydrophobicContact CG2-CB 3.77Å; V170-L192 HydrophobicContact CG2-CD1 3.87Å; V170-L192 HydrophobicContact CG2-CG 4.49Å; I181-L192 HydrophobicContact CD1-CD2 3.71Å; I181-L192 HydrophobicContact CG1-CD2 4.04Å; I181-L192 HydrophobicContact CG2-CB 3.8Å; I181-L192 HydrophobicContact CG2-CD2 4.33Å; I181-L192 HydrophobicContact CG2-CG 4.46Å; D187-L192 HydrophobicContact CB-CD1 4.21Å; D187-L192 HydrophobicContact CB-CD2 3.56Å; D187-L192 HydrophobicContact CB-CG 3.64Å; S188-L192 PolarHBondContact O-N 3.01Å; Y189-L192 PolarHBondContact O-N 3.41Å; L192-R194 VanDerWaalsContact C-N 3.25Å; L192-R194 PolarHBondContact O-N 3.46Å; L192-Q195 WeakPolarHBondContact O-CB 3.43Å; L192-Q195 PolarHBondContact O-N 3.45Å; L192-Q195 VanDerWaalsContact O-N 3.13Å; L192-L196 PolarHBondContact O-N 2.88Å
193	S	96.8	Very high	95.6	Very high	48 Å²	48	26.1 Å²	26.1	34%	0.336	14%	0.137	S	C	.	.	H	α-helix	trans	-58.8	-38	175.2	178.8	0	0	0	0	112.1	Y189 L196 T197	Y189-S193 VanDerWaalsContact O-CB 3.27Å; Y189-S193 WeakPolarHBondContact O-CB 3.32Å; Y189-S193 PolarHBondContact O-N 3.17Å; S193-L196 PolarHBondContact O-N 2.74Å; S193-T197 PolarHBondContact O-N 3.1Å; S193-T197 PolarHBondContact O-OG1 2.83Å
194	R	95.9	Very high	95.7	Very high	53 Å²	53	26 Å²	26	20%	0.2	14%	0.136	C	C	.	.	H	α-helix	trans	-69.6	-38.2	175.2	177.7	154.8	38	147.6	-2.9	112.9	S190 Q191 L192 L196 T197 C198 L248 M249 N251	S190-R194 WeakPolarHBondContact O-CB 3.23Å; S190-R194 PolarHBondContact O-N 3.14Å; S190-R194 VanDerWaalsContact O-N 3.15Å; Q191-R194 PolarHBondContact O-N 2.94Å; L192-R194 VanDerWaalsContact C-N 3.25Å; L192-R194 PolarHBondContact O-N 3.46Å; R194-L196 VanDerWaalsContact C-N 3.32Å; R194-L196 PolarHBondContact O-N 2.98Å; R194-T197 WeakPolarHBondContact O-CB 3.43Å; R194-T197 PolarHBondContact O-N 2.9Å; R194-T197 VanDerWaalsContact O-N 3.16Å; R194-C198 PolarHBondContact O-N 3.36Å; R194-C198 PolarHBondContact O-SG 3.47Å; R194-C198 VanDerWaalsContact O-SG 3.32Å; R194-L248 WeakPolarHBondContact CD-O 3.47Å; R194-L248 PolarHBondContact NE-O 2.84Å; R194-L248 PolarHBondContact NH1-O 2.87Å; R194-M249 PolarHBondContact NH1-O 2.85Å; R194-M249 PolarHBondContact NH2-O 3.27Å; R194-N251 VanDerWaalsContact NH1-CB 3.27Å
195	Q	97.6	Very high	95.9	Very high	18 Å²	18	24.9 Å²	24.9	8%	0.084	13%	0.133	C	C	.	.	H	α-helix	trans	-57.9	-46	172.3	-70.8	171	38.7	0	0	110.9	K110 I181 D187 Q191 L192 T197 C198 L199 A242	K110-Q195 VanDerWaalsContact NZ-OE1 3.07Å; I181-Q195 HydrophobicContact CD1-CB 4.08Å; D187-Q195 PolarHBondContact OD1-NE2 3.02Å; Q191-Q195 WeakPolarHBondContact O-CG 3.46Å; Q191-Q195 PolarHBondContact O-N 3.1Å; L192-Q195 WeakPolarHBondContact O-CB 3.43Å; L192-Q195 PolarHBondContact O-N 3.45Å; L192-Q195 VanDerWaalsContact O-N 3.13Å; Q195-T197 VanDerWaalsContact C-N 3.34Å; Q195-T197 PolarHBondContact O-N 3.42Å; Q195-C198 PolarHBondContact O-N 3.04Å; Q195-L199 PolarHBondContact O-N 3.42Å; Q195-A242 HydrophobicContact CG-CB 3.63Å
196	L	98.3	Very high	96.2	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-61.8	-40.5	174.1	-68.5	-172	0	0	0	112.8	V112 V170 L179 I181 L192 S193 R194 L199 Y200	V112-L196 HydrophobicContact CG1-CD2 4.22Å; V170-L196 HydrophobicContact CG1-CD1 4.3Å; V170-L196 WeakPolarHBondContact O-CD1 3.38Å; L179-L196 HydrophobicContact CB-CB 4.46Å; L179-L196 HydrophobicContact CB-CD1 4.18Å; L179-L196 HydrophobicContact CB-CD2 3.93Å; L179-L196 HydrophobicContact CB-CG 4.43Å; I181-L196 HydrophobicContact CB-CD1 4.36Å; I181-L196 HydrophobicContact CB-CD2 3.68Å; I181-L196 HydrophobicContact CB-CG 4.02Å; I181-L196 HydrophobicContact CG2-CD1 3.79Å; I181-L196 HydrophobicContact CG2-CD2 3.94Å; I181-L196 HydrophobicContact CG2-CG 3.67Å; L192-L196 PolarHBondContact O-N 2.88Å; S193-L196 PolarHBondContact O-N 2.74Å; R194-L196 VanDerWaalsContact C-N 3.32Å; R194-L196 PolarHBondContact O-N 2.98Å; L196-L199 PolarHBondContact O-N 3.38Å; L196-Y200 WeakPolarHBondContact O-CB 3.37Å; L196-Y200 PolarHBondContact O-N 3.36Å
197	T	97.4	Very high	96.7	Very high	35 Å²	35	24.3 Å²	24.3	22%	0.215	13%	0.125	C	C	.	.	H	α-helix	trans	-62.7	-42.9	177.1	-60.8	0	0	0	0	111.6	S193 R194 Q195 R201	S193-T197 PolarHBondContact O-N 3.1Å; S193-T197 PolarHBondContact O-OG1 2.83Å; R194-T197 WeakPolarHBondContact O-CB 3.43Å; R194-T197 PolarHBondContact O-N 2.9Å; R194-T197 VanDerWaalsContact O-N 3.16Å; Q195-T197 VanDerWaalsContact C-N 3.34Å; Q195-T197 PolarHBondContact O-N 3.42Å; T197-R201 WeakPolarHBondContact O-CB 3.45Å; T197-R201 VanDerWaalsContact O-CG 3.29Å; T197-R201 WeakPolarHBondContact O-CG 3.33Å; T197-R201 PolarHBondContact O-N 3.08Å
198	C	97.3	Very high	97	Very high	10 Å²	10	24.1 Å²	24.1	7%	0.068	12%	0.124	C	C	.	.	H	α-helix	trans	-62.5	-43.2	175.1	-69.9	0	0	0	0	111.4	R194 Q195 R201 Y202 L238	R194-C198 PolarHBondContact O-N 3.36Å; R194-C198 PolarHBondContact O-SG 3.47Å; R194-C198 VanDerWaalsContact O-SG 3.32Å; Q195-C198 PolarHBondContact O-N 3.04Å; C198-R201 PolarHBondContact O-N 2.92Å; C198-Y202 PolarHBondContact O-N 3.36Å; C198-L238 HydrophobicContact CB-CD1 4.43Å; C198-L238 HydrophobicContact CB-CD2 4.11Å
199	L	98	Very high	97.2	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-63.9	-46.5	178.3	-175.3	61.7	0	0	0	112.2	V112 V114 Y123 L179 Q195 L196 R201 Y202 I203 M235 L238	V112-L199 HydrophobicContact CG1-CD2 3.52Å; V114-L199 HydrophobicContact CG2-CD2 3.69Å; V114-L199 HydrophobicContact CG2-CG 4.39Å; Y123-L199 HydrophobicContact CD1-CD2 4.26Å; Y123-L199 HydrophobicContact CE1-CD2 4.18Å; L179-L199 HydrophobicContact CD2-CB 4.36Å; L179-L199 HydrophobicContact CD2-CD2 4.34Å; L179-L199 HydrophobicContact CD2-CG 4.36Å; Q195-L199 PolarHBondContact O-N 3.42Å; L196-L199 PolarHBondContact O-N 3.38Å; L199-R201 VanDerWaalsContact C-N 3.31Å; L199-R201 PolarHBondContact O-N 3.47Å; L199-Y202 WeakPolarHBondContact O-CB 3.27Å; L199-Y202 PolarHBondContact O-N 2.68Å; L199-Y202 VanDerWaalsContact O-N 3.09Å; L199-I203 PolarHBondContact O-N 2.87Å; L199-I203 VanDerWaalsContact O-N 3.16Å; L199-M235 HydrophobicContact CD1-CB 3.78Å; L199-M235 HydrophobicContact CD1-CG 3.58Å; L199-M235 HydrophobicContact CD1-SD 3.87Å; L199-L238 HydrophobicContact CB-CD2 4.39Å; L199-L238 HydrophobicContact CD1-CD2 4.35Å
200	Y	98.4	Very high	97.3	Very high	34 Å²	34	21.7 Å²	21.7	13%	0.133	12%	0.119	C	C	.	.	H	α-helix	trans	-57.8	-44.9	174.1	173.5	-102.4	0	0	0	111.7	K174 L177 L179 L196 Y202 I203 V204 L212	K174-Y200 HydrophobicContact CB-CD1 4.37Å; K174-Y200 HydrophobicContact CB-CD2 3.57Å; K174-Y200 HydrophobicContact CB-CE1 4.25Å; K174-Y200 HydrophobicContact CB-CE2 3.41Å; K174-Y200 VanDerWaalsContact CB-CE2 3.41Å; K174-Y200 HydrophobicContact CB-CG 4.06Å; K174-Y200 HydrophobicContact CD-CD1 4.45Å; K174-Y200 HydrophobicContact CD-CE1 4.43Å; K174-Y200 HydrophobicContact CG-CD1 4.1Å; K174-Y200 HydrophobicContact CG-CD2 3.94Å; K174-Y200 HydrophobicContact CG-CE1 4.31Å; K174-Y200 HydrophobicContact CG-CE2 4.16Å; K174-Y200 HydrophobicContact CG-CG 3.91Å; L177-Y200 HydrophobicContact CD1-CD2 4.27Å; L177-Y200 HydrophobicContact CD1-CE2 4.33Å; L179-Y200 HydrophobicContact CD1-CD2 4.18Å; L196-Y200 WeakPolarHBondContact O-CB 3.37Å; L196-Y200 PolarHBondContact O-N 3.36Å; Y200-Y202 PolarHBondContact O-N 3.04Å; Y200-I203 WeakPolarHBondContact O-CB 3.4Å; Y200-I203 PolarHBondContact O-N 3.28Å; Y200-I203 VanDerWaalsContact O-N 3.15Å; Y200-V204 HydrophobicContact CD1-CG2 4.23Å; Y200-V204 HydrophobicContact CE1-CG2 3.68Å; Y200-V204 HydrophobicContact CE2-CG2 4.07Å; Y200-V204 WeakPolarHBondContact O-CG2 3.12Å; Y200-V204 PolarHBondContact O-N 3.39Å; Y200-L212 HydrophobicContact CE2-CD2 4.21Å
201	R	98	Very high	97.5	Very high	72 Å²	72	21.6 Å²	21.6	27%	0.272	11%	0.112	S	C	.	.	H	α-helix	trans	-60.9	-32.6	176.4	-77.8	174.4	176.7	167.8	-6.6	112.5	T197 C198 L199 V204 S205 S305 M309 P332	T197-R201 WeakPolarHBondContact O-CB 3.45Å; T197-R201 VanDerWaalsContact O-CG 3.29Å; T197-R201 WeakPolarHBondContact O-CG 3.33Å; T197-R201 PolarHBondContact O-N 3.08Å; C198-R201 PolarHBondContact O-N 2.92Å; L199-R201 VanDerWaalsContact C-N 3.31Å; L199-R201 PolarHBondContact O-N 3.47Å; R201-V204 PolarHBondContact O-N 2.88Å; R201-S205 WeakPolarHBondContact O-CB 3.28Å; R201-S205 PolarHBondContact O-N 3.23Å; R201-S305 PolarHBondContact NH1-OG 2.94Å; R201-M309 HydrophobicContact CB-CE 3.99Å; R201-P332 HydrophobicContact CB-CG 4.13Å; R201-P332 HydrophobicContact CG-CB 4.26Å; R201-P332 HydrophobicContact CG-CG 4.41Å; R201-P332 VanDerWaalsContact O-CG 3.32Å; R201-P332 WeakPolarHBondContact O-CG 3.16Å
202	Y	97.9	Very high	97.6	Very high	11 Å²	11	21.3 Å²	21.3	4%	0.043	11%	0.111	C	C	.	.	H	α-helix	trans	-67.5	-43.9	174.3	179.1	-117.1	0	0	0	111.9	C198 L199 Y200 V204 S205 V206 T231 T234 M235 M309	C198-Y202 PolarHBondContact O-N 3.36Å; L199-Y202 WeakPolarHBondContact O-CB 3.27Å; L199-Y202 PolarHBondContact O-N 2.68Å; L199-Y202 VanDerWaalsContact O-N 3.09Å; Y200-Y202 PolarHBondContact O-N 3.04Å; Y202-V204 VanDerWaalsContact C-N 3.26Å; Y202-V204 PolarHBondContact O-N 2.9Å; Y202-S205 WeakPolarHBondContact O-CA 3.19Å; Y202-S205 VanDerWaalsContact O-CB 3.24Å; Y202-S205 WeakPolarHBondContact O-CB 3.36Å; Y202-S205 PolarHBondContact O-N 2.81Å; Y202-V206 HydrophobicContact CD2-CG2 4.36Å; Y202-V206 HydrophobicContact CE1-CG2 4.16Å; Y202-V206 HydrophobicContact CE2-CG2 3.91Å; Y202-V206 WeakPolarHBondContact O-CG2 3.36Å; Y202-V206 PolarHBondContact O-N 3.49Å; Y202-T231 WeakPolarHBondContact OH-CB 3.29Å; Y202-T234 HydrophobicContact CD2-CG2 4.21Å; Y202-T234 HydrophobicContact CE1-CG2 3.92Å; Y202-T234 HydrophobicContact CE2-CG2 3.45Å; Y202-T234 VanDerWaalsContact CE2-CG2 3.45Å; Y202-T234 VanDerWaalsContact CZ-CB 3.46Å; Y202-T234 WeakPolarHBondContact OH-CB 3.39Å; Y202-T234 WeakPolarHBondContact OH-CG2 3.41Å; Y202-T234 PolarHBondContact OH-OG1 3.45Å; Y202-M235 HydrophobicContact CD1-CG 3.41Å; Y202-M235 VanDerWaalsContact CD1-CG 3.41Å; Y202-M235 HydrophobicContact CD1-SD 4.25Å; Y202-M235 HydrophobicContact CE1-CG 3.57Å; Y202-M235 HydrophobicContact CE1-SD 4.49Å; Y202-M309 VanDerWaalsContact CB-SD 3.54Å; Y202-M309 HydrophobicContact CD2-CE 4.42Å; Y202-M309 HydrophobicContact CD2-CG 4.3Å; Y202-M309 HydrophobicContact CD2-SD 3.27Å; Y202-M309 WeakPolarHBondContact CD2-SD 3.44Å; Y202-M309 HydrophobicContact CE2-SD 4.31Å; Y202-M309 HydrophobicContact CG-CE 4.5Å; Y202-M309 HydrophobicContact CG-SD 3.8Å
203	I	98.2	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-57.3	-44.1	174.8	-63.7	170.3	0	0	0	110.3	V114 L177 L199 Y200 S205 V206 L207 L224 L228 M235	V114-I203 HydrophobicContact CG1-CD1 3.89Å; L177-I203 HydrophobicContact CD1-CD1 4.05Å; L177-I203 HydrophobicContact CD1-CG2 4.08Å; L199-I203 PolarHBondContact O-N 2.87Å; L199-I203 VanDerWaalsContact O-N 3.16Å; Y200-I203 WeakPolarHBondContact O-CB 3.4Å; Y200-I203 PolarHBondContact O-N 3.28Å; Y200-I203 VanDerWaalsContact O-N 3.15Å; I203-S205 VanDerWaalsContact C-N 3.32Å; I203-S205 PolarHBondContact O-N 3.41Å; I203-V206 PolarHBondContact O-N 3.08Å; I203-L207 HydrophobicContact CG2-CD1 4.43Å; I203-L207 PolarHBondContact O-N 3.3Å; I203-L207 VanDerWaalsContact O-N 3.1Å; I203-L224 HydrophobicContact CG2-CD2 4.35Å; I203-L228 HydrophobicContact CG1-CD1 4.3Å; I203-L228 HydrophobicContact CG2-CD1 4.19Å; I203-L228 HydrophobicContact CG2-CD2 4.39Å; I203-M235 HydrophobicContact CG1-SD 4.34Å
204	V	98.2	Very high	97.6	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-64.2	-35.6	173.4	174.8	0	0	0	0	111.6	Y200 R201 Y202 V206 L207 T208 A209 P332 E336	Y200-V204 HydrophobicContact CD1-CG2 4.23Å; Y200-V204 HydrophobicContact CE1-CG2 3.68Å; Y200-V204 HydrophobicContact CE2-CG2 4.07Å; Y200-V204 WeakPolarHBondContact O-CG2 3.12Å; Y200-V204 PolarHBondContact O-N 3.39Å; R201-V204 PolarHBondContact O-N 2.88Å; Y202-V204 VanDerWaalsContact C-N 3.26Å; Y202-V204 PolarHBondContact O-N 2.9Å; V204-V206 VanDerWaalsContact C-N 3.27Å; V204-V206 PolarHBondContact O-N 3.41Å; V204-L207 PolarHBondContact O-N 3.15Å; V204-T208 WeakPolarHBondContact O-CA 3.29Å; V204-T208 PolarHBondContact O-N 3.02Å; V204-A209 HydrophobicContact CG1-CB 4.11Å; V204-P332 HydrophobicContact CB-CG 4.2Å; V204-P332 HydrophobicContact CG1-CB 4.06Å; V204-P332 HydrophobicContact CG1-CG 3.94Å; V204-E336 HydrophobicContact CG1-CB 4.1Å
205	S	97.9	Very high	97.6	Very high	8 Å²	8	28.8 Å²	28.8	6%	0.056	13%	0.133	C	C	.	.	H	α-helix	trans	-63.2	-33.9	177.1	-170.7	0	0	0	0	112.6	R201 Y202 I203 C330	R201-S205 WeakPolarHBondContact O-CB 3.28Å; R201-S205 PolarHBondContact O-N 3.23Å; Y202-S205 WeakPolarHBondContact O-CA 3.19Å; Y202-S205 VanDerWaalsContact O-CB 3.24Å; Y202-S205 WeakPolarHBondContact O-CB 3.36Å; Y202-S205 PolarHBondContact O-N 2.81Å; I203-S205 VanDerWaalsContact C-N 3.32Å; I203-S205 PolarHBondContact O-N 3.41Å; S205-C330 VanDerWaalsContact CA-O 3.3Å; S205-C330 WeakPolarHBondContact CA-O 3.49Å; S205-C330 VanDerWaalsContact CB-O 3.29Å; S205-C330 WeakPolarHBondContact CB-O 3.34Å; S205-C330 WeakPolarHBondContact O-CB 3.45Å; S205-C330 PolarHBondContact O-N 2.89Å; S205-C330 PolarHBondContact OG-O 3.47Å
206	V	97.6	Very high	97.6	Very high	41 Å²	41	28.7 Å²	28.7	25%	0.248	13%	0.132	C	C	.	.	H	α-helix	trans	-78.1	-37.8	177.7	176.9	0	0	0	0	112.3	Y202 I203 V204 L228 T231 F339	Y202-V206 HydrophobicContact CD2-CG2 4.36Å; Y202-V206 HydrophobicContact CE1-CG2 4.16Å; Y202-V206 HydrophobicContact CE2-CG2 3.91Å; Y202-V206 WeakPolarHBondContact O-CG2 3.36Å; Y202-V206 PolarHBondContact O-N 3.49Å; I203-V206 PolarHBondContact O-N 3.08Å; V204-V206 VanDerWaalsContact C-N 3.27Å; V204-V206 PolarHBondContact O-N 3.41Å; V206-L228 HydrophobicContact CB-CD2 4.13Å; V206-L228 HydrophobicContact CG1-CD2 3.87Å; V206-T231 HydrophobicContact CG1-CG2 4.16Å; V206-T231 HydrophobicContact CG2-CG2 4.04Å; V206-F339 WeakPolarHBondContact O-CE1 3.38Å; V206-F339 VanDerWaalsContact O-CZ 3.26Å; V206-F339 WeakPolarHBondContact O-CZ 3.45Å
207	L	97.2	Very high	97.4	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.031	17%	0.166	C	C	.	.	H	α-helix	trans	-111.6	-25.4	-170.3	-60.9	177.6	0	0	0	115.4	I203 V204 Q211 L212 L224 L227 L228	I203-L207 HydrophobicContact CG2-CD1 4.43Å; I203-L207 PolarHBondContact O-N 3.3Å; I203-L207 VanDerWaalsContact O-N 3.1Å; V204-L207 PolarHBondContact O-N 3.15Å; L207-Q211 WeakPolarHBondContact O-CB 3.46Å; L207-Q211 PolarHBondContact O-OE1 3.32Å; L207-L212 HydrophobicContact CD1-CD1 4.47Å; L207-L224 HydrophobicContact CD1-CD1 3.54Å; L207-L224 HydrophobicContact CD1-CD2 4.39Å; L207-L224 HydrophobicContact CD1-CG 4.19Å; L207-L227 HydrophobicContact CD1-CB 4.43Å; L207-L227 HydrophobicContact CD2-CB 3.67Å; L207-L227 HydrophobicContact CD2-CD1 4.1Å; L207-L228 HydrophobicContact CD1-CD2 3.99Å; L207-L228 HydrophobicContact CD1-CG 4.47Å; L207-L228 HydrophobicContact CG-CD2 4.13Å
208	T	98	Very high	97.4	Very high	4 Å²	4	39 Å²	39	3%	0.025	18%	0.183	C	C	.	.			trans	69.8	149.7	-155.8	73.5	0	0	0	0	113.8	V204 S210 Q211 L212 C330 E336 F339	V204-T208 WeakPolarHBondContact O-CA 3.29Å; V204-T208 PolarHBondContact O-N 3.02Å; T208-S210 VanDerWaalsContact C-N 3.33Å; T208-S210 PolarHBondContact OG1-OG 3.46Å; T208-Q211 WeakPolarHBondContact OG1-CB 3.31Å; T208-Q211 PolarHBondContact OG1-N 3.17Å; T208-L212 WeakPolarHBondContact O-CB 3.35Å; T208-L212 PolarHBondContact O-N 3.25Å; T208-C330 HydrophobicContact CG2-CB 3.79Å; T208-E336 CarbonylContact C-O 3.48Å; T208-E336 WeakPolarHBondContact CA-O 3.43Å; T208-E336 WeakPolarHBondContact CB-O 3.36Å; T208-F339 HydrophobicContact CG2-CD1 4.31Å; T208-F339 HydrophobicContact CG2-CD2 3.73Å; T208-F339 HydrophobicContact CG2-CE1 4.11Å; T208-F339 HydrophobicContact CG2-CE2 3.5Å; T208-F339 VanDerWaalsContact CG2-CE2 3.5Å; T208-F339 HydrophobicContact CG2-CG 4.14Å; T208-F339 HydrophobicContact CG2-CZ 3.7Å
209	A	98.2	Very high	97.2	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-67.7	-35.9	177.4	0	0	0	0	0	111.3	V204 L212 R213 E336	V204-A209 HydrophobicContact CG1-CB 4.11Å; A209-L212 PolarHBondContact O-N 3.24Å; A209-R213 WeakPolarHBondContact O-CB 3.34Å; A209-R213 WeakPolarHBondContact O-CG 3.45Å; A209-R213 PolarHBondContact O-N 3.14Å; A209-E336 HydrophobicContact CB-CB 3.99Å; A209-E336 HydrophobicContact CB-CG 4.02Å; A209-E336 PolarHBondContact N-O 3.35Å
210	S	97.3	Very high	96.9	Very high	48 Å²	48	53.8 Å²	53.8	34%	0.336	24%	0.241	S	C	.	.	H	α-helix	trans	-63.8	-45.5	176.8	62.3	0	0	0	0	112.1	T208 R214 N337	T208-S210 VanDerWaalsContact C-N 3.33Å; T208-S210 PolarHBondContact OG1-OG 3.46Å; S210-R214 VanDerWaalsContact O-CB 3.26Å; S210-R214 WeakPolarHBondContact O-CB 3.48Å; S210-R214 PolarHBondContact O-N 3.07Å; S210-N337 PolarHBondContact N-OD1 3.44Å; S210-N337 PolarHBondContact OG-O 2.83Å
211	Q	96.9	Very high	96.5	Very high	54 Å²	54	57.5 Å²	57.5	25%	0.252	26%	0.263	S	S	.	.	H	α-helix	trans	-66.6	-42.6	175.4	-176.6	171.2	-12.4	0	0	111.6	L207 T208 R214 I215	L207-Q211 WeakPolarHBondContact O-CB 3.46Å; L207-Q211 PolarHBondContact O-OE1 3.32Å; T208-Q211 WeakPolarHBondContact OG1-CB 3.31Å; T208-Q211 PolarHBondContact OG1-N 3.17Å; Q211-R214 PolarHBondContact O-N 3.25Å; Q211-I215 HydrophobicContact CG-CD1 3.69Å; Q211-I215 HydrophobicContact CG-CG1 4.34Å; Q211-I215 WeakPolarHBondContact O-CB 3.12Å; Q211-I215 WeakPolarHBondContact O-CD1 3.42Å; Q211-I215 WeakPolarHBondContact O-CG1 3.43Å; Q211-I215 PolarHBondContact O-N 3.43Å
212	L	97.5	Very high	96.4	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-58.3	-49.6	178.3	-179.4	61.6	0	0	0	111.2	P176 L177 Y200 L207 T208 A209 F216 L224	P176-L212 HydrophobicContact CG-CD1 4.02Å; P176-L212 HydrophobicContact CG-CD2 4.43Å; P176-L212 HydrophobicContact CG-CG 3.84Å; L177-L212 HydrophobicContact CD1-CD2 4.08Å; L177-L212 HydrophobicContact CG-CD2 4.46Å; Y200-L212 HydrophobicContact CE2-CD2 4.21Å; L207-L212 HydrophobicContact CD1-CD1 4.47Å; T208-L212 WeakPolarHBondContact O-CB 3.35Å; T208-L212 PolarHBondContact O-N 3.25Å; A209-L212 PolarHBondContact O-N 3.24Å; L212-F216 HydrophobicContact CD1-CD2 4.11Å; L212-F216 HydrophobicContact CD1-CE2 3.92Å; L212-F216 WeakPolarHBondContact O-CD2 3.22Å; L212-F216 PolarHBondContact O-N 3.11Å; L212-L224 HydrophobicContact CD1-CD1 4.07Å; L212-L224 HydrophobicContact CD1-CD2 3.73Å
213	R	96.8	Very high	96.2	Very high	99 Å²	99	56.7 Å²	56.7	37%	0.374	26%	0.263	S	S	.	.	H	α-helix	trans	-60.7	-52.4	176.3	-71.6	-176.3	-65.1	-105.6	-1.1	111.5	A209 I215 F216 D217 E336 N337	A209-R213 WeakPolarHBondContact O-CB 3.34Å; A209-R213 WeakPolarHBondContact O-CG 3.45Å; A209-R213 PolarHBondContact O-N 3.14Å; R213-I215 VanDerWaalsContact C-N 3.29Å; R213-I215 PolarHBondContact O-N 3Å; R213-F216 PolarHBondContact O-N 3.22Å; R213-D217 VanDerWaalsContact O-CG 3.24Å; R213-D217 PolarHBondContact O-N 3.41Å; R213-E336 IonicContact NH1-OE1 2.79Å; R213-E336 PolarHBondContact NH1-OE1 3.17Å; R213-E336 IonicContact NH2-OE1 3.73Å; R213-N337 PolarHBondContact NH2-OD1 3.33Å
214	R	97.2	Very high	96.2	Very high	141 Å²	141	56.8 Å²	56.8	53%	0.532	26%	0.264	S	S	.	.	H	α-helix	trans	-54.3	-43.2	-178.6	-178	175.5	66.6	118.5	-3.8	113	S210 Q211 F216 D217 E218	S210-R214 VanDerWaalsContact O-CB 3.26Å; S210-R214 WeakPolarHBondContact O-CB 3.48Å; S210-R214 PolarHBondContact O-N 3.07Å; Q211-R214 PolarHBondContact O-N 3.25Å; R214-F216 VanDerWaalsContact C-N 3.34Å; R214-F216 PolarHBondContact O-N 2.79Å; R214-D217 PolarHBondContact O-N 2.66Å; R214-E218 HydrophobicContact CG-CG 4.45Å; R214-E218 VanDerWaalsContact CG-OE1 3.29Å; R214-E218 WeakPolarHBondContact CG-OE1 3.36Å; R214-E218 IonicContact NH1-OE1 3.95Å; R214-E218 WeakPolarHBondContact O-CB 3.39Å; R214-E218 WeakPolarHBondContact O-CG 3.22Å; R214-E218 PolarHBondContact O-N 2.74Å
215	I	96.6	Very high	96.1	Very high	18 Å²	18	60 Å²	60	9%	0.092	28%	0.276	C	S	.	.	H	α-helix	trans	-60	-44.7	179.4	-73.1	163.8	0	0	0	111.3	Q211 R213 R219 F222 L227	Q211-I215 HydrophobicContact CG-CD1 3.69Å; Q211-I215 HydrophobicContact CG-CG1 4.34Å; Q211-I215 WeakPolarHBondContact O-CB 3.12Å; Q211-I215 WeakPolarHBondContact O-CD1 3.42Å; Q211-I215 WeakPolarHBondContact O-CG1 3.43Å; Q211-I215 PolarHBondContact O-N 3.43Å; R213-I215 VanDerWaalsContact C-N 3.29Å; R213-I215 PolarHBondContact O-N 3Å; I215-R219 CarbonylContact O-C 3.53Å; I215-R219 WeakPolarHBondContact O-CA 3.45Å; I215-R219 PolarHBondContact O-N 2.69Å; I215-F222 HydrophobicContact CG2-CB 3.73Å; I215-F222 HydrophobicContact CG2-CD1 3.35Å; I215-F222 HydrophobicContact CG2-CD2 4Å; I215-F222 HydrophobicContact CG2-CE1 3.88Å; I215-F222 HydrophobicContact CG2-CE2 4.47Å; I215-F222 HydrophobicContact CG2-CG 3.41Å; I215-F222 VanDerWaalsContact CG2-CG 3.41Å; I215-F222 HydrophobicContact CG2-CZ 4.41Å; I215-L227 HydrophobicContact CD1-CD1 3.35Å
216	F	96.7	Very high	95.9	Very high	15 Å²	15	68.3 Å²	68.3	7%	0.066	31%	0.306	C	S	.	.	H	α-helix	trans	-80.4	-28.3	-177.4	-81.2	-85	0	0	0	113.1	P176 L212 R213 R214 R219 K220 L224	P176-F216 HydrophobicContact CB-CB 3.63Å; P176-F216 HydrophobicContact CB-CD1 4.02Å; P176-F216 HydrophobicContact CB-CD2 3.74Å; P176-F216 HydrophobicContact CB-CE2 4.37Å; P176-F216 HydrophobicContact CB-CG 3.51Å; P176-F216 HydrophobicContact CG-CB 3.87Å; P176-F216 HydrophobicContact CG-CD1 4.46Å; P176-F216 HydrophobicContact CG-CD2 3.27Å; P176-F216 HydrophobicContact CG-CE2 3.86Å; P176-F216 HydrophobicContact CG-CG 3.61Å; L212-F216 HydrophobicContact CD1-CD2 4.11Å; L212-F216 HydrophobicContact CD1-CE2 3.92Å; L212-F216 WeakPolarHBondContact O-CD2 3.22Å; L212-F216 PolarHBondContact O-N 3.11Å; R213-F216 PolarHBondContact O-N 3.22Å; R214-F216 VanDerWaalsContact C-N 3.34Å; R214-F216 PolarHBondContact O-N 2.79Å; F216-R219 CarbonylContact O-C 3.51Å; F216-K220 WeakPolarHBondContact O-CA 3.37Å; F216-K220 WeakPolarHBondContact O-CG 3.32Å; F216-K220 PolarHBondContact O-N 3.48Å; F216-K220 VanDerWaalsContact O-N 3.16Å; F216-L224 HydrophobicContact CE2-CB 4.47Å; F216-L224 HydrophobicContact CE2-CD1 4.2Å; F216-L224 HydrophobicContact CE2-CD2 4.28Å; F216-L224 HydrophobicContact CZ-CB 4.35Å
217	D	95.3	Very high	95.8	Very high	132 Å²	132	69.4 Å²	69.4	71%	0.706	31%	0.31	S	S	*	.	H	α-helix	trans	-63.8	-44.4	170.2	-67.4	-23.9	0	0	0	110.8	R213 R214	R213-D217 VanDerWaalsContact O-CG 3.24Å; R213-D217 PolarHBondContact O-N 3.41Å; R214-D217 PolarHBondContact O-N 2.66Å
218	E	95.8	Very high	95.8	Very high	122 Å²	122	69.3 Å²	69.3	57%	0.57	31%	0.31	S	S	*	.	H	α-helix	trans	-74.3	-37.9	177.2	-70.1	175.5	-165.9	0	0	112.4	R214	R214-E218 HydrophobicContact CG-CG 4.45Å; R214-E218 VanDerWaalsContact CG-OE1 3.29Å; R214-E218 WeakPolarHBondContact CG-OE1 3.36Å; R214-E218 IonicContact NH1-OE1 3.95Å; R214-E218 WeakPolarHBondContact O-CB 3.39Å; R214-E218 WeakPolarHBondContact O-CG 3.22Å; R214-E218 PolarHBondContact O-N 2.74Å
219	R	94.3	Very high	95.6	Very high	161 Å²	161	74.1 Å²	74.1	61%	0.608	34%	0.339	S	S	*	.			trans	-143.7	84.5	-172.1	-59.5	-179.7	-167.6	-178.9	3.2	111	I215 F216 N221 F222	I215-R219 CarbonylContact O-C 3.53Å; I215-R219 WeakPolarHBondContact O-CA 3.45Å; I215-R219 PolarHBondContact O-N 2.69Å; F216-R219 CarbonylContact O-C 3.51Å; R219-N221 PolarHBondContact O-N 2.86Å; R219-F222 HydrophobicContact CB-CB 4.08Å; R219-F222 VanDerWaalsContact O-CB 3.25Å; R219-F222 WeakPolarHBondContact O-CB 3.27Å; R219-F222 PolarHBondContact O-N 2.83Å
220	K	90.5	Very high	95.3	Very high	161 Å²	161	76.8 Å²	76.8	70%	0.7	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-32.9	178.5	-64	-171.7	177.2	-172.5	0	114.7	F216	F216-K220 WeakPolarHBondContact O-CA 3.37Å; F216-K220 WeakPolarHBondContact O-CG 3.32Å; F216-K220 PolarHBondContact O-N 3.48Å; F216-K220 VanDerWaalsContact O-N 3.16Å
221	N	90.8	Very high	95.1	Very high	111 Å²	111	75.2 Å²	75.2	59%	0.594	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	20.5	179.9	-71.8	-28.4	0	0	0	113.5	K120 R219	K120-N221 WeakPolarHBondContact CE-O 3.45Å; K120-N221 PolarHBondContact NZ-O 3.23Å; R219-N221 PolarHBondContact O-N 2.86Å
222	F	95.5	Very high	95	Very high	36 Å²	36	76.2 Å²	76.2	16%	0.158	36%	0.359	C	S	.	.			trans	-63.2	142	176.5	-172	-96	0	0	0	111.4	I215 R219 L224 L227	I215-F222 HydrophobicContact CG2-CB 3.73Å; I215-F222 HydrophobicContact CG2-CD1 3.35Å; I215-F222 HydrophobicContact CG2-CD2 4Å; I215-F222 HydrophobicContact CG2-CE1 3.88Å; I215-F222 HydrophobicContact CG2-CE2 4.47Å; I215-F222 HydrophobicContact CG2-CG 3.41Å; I215-F222 VanDerWaalsContact CG2-CG 3.41Å; I215-F222 HydrophobicContact CG2-CZ 4.41Å; R219-F222 HydrophobicContact CB-CB 4.08Å; R219-F222 VanDerWaalsContact O-CB 3.25Å; R219-F222 WeakPolarHBondContact O-CB 3.27Å; R219-F222 PolarHBondContact O-N 2.83Å; F222-L224 HydrophobicContact CD1-CD1 4.45Å; F222-L224 HydrophobicContact CE1-CD1 4.36Å; F222-L227 HydrophobicContact CE1-CD1 3.79Å; F222-L227 HydrophobicContact CE1-CG 3.97Å; F222-L227 HydrophobicContact CZ-CD1 3.98Å; F222-L227 HydrophobicContact CZ-CG 4.02Å
223	D	94.9	Very high	94.9	Very high	31 Å²	31	83.3 Å²	83.3	17%	0.166	39%	0.386	C	S	.	.			trans	-93.8	100.7	174.6	-175.3	-5.7	0	0	0	109.5	R225 R226	D223-R225 PolarHBondContact O-N 3.27Å; D223-R225 WeakPolarHBondContact OD1-CB 3.26Å; D223-R225 WeakPolarHBondContact OD1-CG 3.21Å; D223-R225 IonicContact OD1-CZ 3.23Å; D223-R225 PolarHBondContact OD1-N 2.83Å; D223-R225 IonicContact OD1-NE 3.82Å; D223-R225 PolarHBondContact OD1-NE 3.18Å; D223-R225 IonicContact OD1-NH2 3.43Å; D223-R225 IonicContact OD2-CZ 2.98Å; D223-R225 IonicContact OD2-NE 2.71Å; D223-R225 PolarHBondContact OD2-NE 3.16Å; D223-R225 IonicContact OD2-NH2 3.27Å; D223-R225 PolarHBondContact OD2-NH2 3.43Å; D223-R226 HydrophobicContact CB-CG 4.43Å; D223-R226 PolarHBondContact O-N 3.48Å
224	L	96.8	Very high	94.9	Very high	1 Å²	1	78.7 Å²	78.7	1%	0.005	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.9	-173.6	-165.7	61.7	0	0	0	113.2	V122 L177 I203 L207 L212 F216 F222 R226 L227 L228	V122-L224 HydrophobicContact CG1-CB 4.22Å; V122-L224 HydrophobicContact CG1-CD2 3.96Å; V122-L224 HydrophobicContact CG1-CG 4.38Å; V122-L224 HydrophobicContact CG2-CB 4.04Å; V122-L224 HydrophobicContact CG2-CD2 4.41Å; L177-L224 HydrophobicContact CD1-CD2 4.36Å; L177-L224 HydrophobicContact CD2-CD2 4Å; I203-L224 HydrophobicContact CG2-CD2 4.35Å; L207-L224 HydrophobicContact CD1-CD1 3.54Å; L207-L224 HydrophobicContact CD1-CD2 4.39Å; L207-L224 HydrophobicContact CD1-CG 4.19Å; L212-L224 HydrophobicContact CD1-CD1 4.07Å; L212-L224 HydrophobicContact CD1-CD2 3.73Å; F216-L224 HydrophobicContact CE2-CB 4.47Å; F216-L224 HydrophobicContact CE2-CD1 4.2Å; F216-L224 HydrophobicContact CE2-CD2 4.28Å; F216-L224 HydrophobicContact CZ-CB 4.35Å; F222-L224 HydrophobicContact CD1-CD1 4.45Å; F222-L224 HydrophobicContact CE1-CD1 4.36Å; L224-R226 PolarHBondContact O-N 3Å; L224-R226 VanDerWaalsContact O-N 3.07Å; L224-L227 HydrophobicContact CD1-CD1 4.32Å; L224-L227 PolarHBondContact O-N 3.01Å; L224-L228 HydrophobicContact CD2-CD1 4.08Å; L224-L228 HydrophobicContact CG-CD1 4.02Å; L224-L228 HydrophobicContact CG-CG 4.32Å; L224-L228 PolarHBondContact O-N 3.3Å
225	R	95.7	Very high	94.9	Very high	70 Å²	70	72.1 Å²	72.1	26%	0.264	34%	0.344	S	S	.	.	H	α-helix	trans	-54.9	-31.3	178.8	-64	176.3	-64.6	171.8	4.5	112.2	P121 V122 D223 L227 L228 T229	P121-R225 WeakPolarHBondContact O-CD 3.34Å; P121-R225 PolarHBondContact O-NE 3.34Å; V122-R225 WeakPolarHBondContact O-CG 3.36Å; D223-R225 PolarHBondContact O-N 3.27Å; D223-R225 WeakPolarHBondContact OD1-CB 3.26Å; D223-R225 WeakPolarHBondContact OD1-CG 3.21Å; D223-R225 IonicContact OD1-CZ 3.23Å; D223-R225 PolarHBondContact OD1-N 2.83Å; D223-R225 IonicContact OD1-NE 3.82Å; D223-R225 PolarHBondContact OD1-NE 3.18Å; D223-R225 IonicContact OD1-NH2 3.43Å; D223-R225 IonicContact OD2-CZ 2.98Å; D223-R225 IonicContact OD2-NE 2.71Å; D223-R225 PolarHBondContact OD2-NE 3.16Å; D223-R225 IonicContact OD2-NH2 3.27Å; D223-R225 PolarHBondContact OD2-NH2 3.43Å; R225-L227 PolarHBondContact O-N 2.76Å; R225-L228 PolarHBondContact O-N 3.35Å; R225-L228 VanDerWaalsContact O-N 3.17Å; R225-T229 PolarHBondContact O-N 3.47Å; R225-T229 PolarHBondContact O-OG1 3.35Å
226	R	95	Very high	95	Very high	182 Å²	182	73.8 Å²	73.8	69%	0.687	35%	0.354	S	S	*	.	H	α-helix	trans	-62.1	-23.2	177.2	-62	-179.4	176.9	-165.1	-3.2	114.1	D223 L224	D223-R226 HydrophobicContact CB-CG 4.43Å; D223-R226 PolarHBondContact O-N 3.48Å; L224-R226 PolarHBondContact O-N 3Å; L224-R226 VanDerWaalsContact O-N 3.07Å
227	L	96.1	Very high	95	Very high	64 Å²	64	75.1 Å²	75.1	34%	0.335	36%	0.358	S	S	.	.	H	α-helix	trans	-103.8	-13.3	177.8	-58.3	-179.3	0	0	0	112.9	L207 I215 F222 L224 R225	L207-L227 HydrophobicContact CD1-CB 4.43Å; L207-L227 HydrophobicContact CD2-CB 3.67Å; L207-L227 HydrophobicContact CD2-CD1 4.1Å; I215-L227 HydrophobicContact CD1-CD1 3.35Å; F222-L227 HydrophobicContact CE1-CD1 3.79Å; F222-L227 HydrophobicContact CE1-CG 3.97Å; F222-L227 HydrophobicContact CZ-CD1 3.98Å; F222-L227 HydrophobicContact CZ-CG 4.02Å; L224-L227 HydrophobicContact CD1-CD1 4.32Å; L224-L227 PolarHBondContact O-N 3.01Å; R225-L227 PolarHBondContact O-N 2.76Å
228	L	95.9	Very high	95.1	Very high	4 Å²	4	69 Å²	69	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-104.5	6.9	179.3	-62.9	-180	0	0	0	112.6	V122 I203 V206 L207 L224 R225 G230 T231	V122-L228 HydrophobicContact CG1-CD1 3.71Å; I203-L228 HydrophobicContact CG1-CD1 4.3Å; I203-L228 HydrophobicContact CG2-CD1 4.19Å; I203-L228 HydrophobicContact CG2-CD2 4.39Å; V206-L228 HydrophobicContact CB-CD2 4.13Å; V206-L228 HydrophobicContact CG1-CD2 3.87Å; L207-L228 HydrophobicContact CD1-CD2 3.99Å; L207-L228 HydrophobicContact CD1-CG 4.47Å; L207-L228 HydrophobicContact CG-CD2 4.13Å; L224-L228 HydrophobicContact CD2-CD1 4.08Å; L224-L228 HydrophobicContact CG-CD1 4.02Å; L224-L228 HydrophobicContact CG-CG 4.32Å; L224-L228 PolarHBondContact O-N 3.3Å; R225-L228 PolarHBondContact O-N 3.35Å; R225-L228 VanDerWaalsContact O-N 3.17Å; L228-G230 PolarHBondContact O-N 2.84Å; L228-T231 WeakPolarHBondContact O-CB 3.15Å; L228-T231 WeakPolarHBondContact O-CG2 3.14Å; L228-T231 PolarHBondContact O-N 3.23Å; L228-T231 PolarHBondContact O-OG1 2.83Å
229	T	93.4	Very high	95.2	Very high	105 Å²	105	63.6 Å²	63.6	64%	0.644	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	128.6	177.8	-52.9	0	0	0	0	110.7	R225 T231	R225-T229 PolarHBondContact O-N 3.47Å; R225-T229 PolarHBondContact O-OG1 3.35Å; T229-T231 VanDerWaalsContact C-N 3.34Å
230	G	92.3	Very high	95.2	Very high	56 Å²	56	58 Å²	58	58%	0.577	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-3.5	-178.2	0	0	0	0	0	114.4	L228 E232	L228-G230 PolarHBondContact O-N 2.84Å; G230-E232 WeakPolarHBondContact CA-OE2 3.4Å; G230-E232 PolarHBondContact N-OE1 3.09Å; G230-E232 PolarHBondContact N-OE2 3.22Å
231	T	94.3	Very high	95.5	Very high	15 Å²	15	51 Å²	51	9%	0.092	26%	0.255	C	S	.	.			trans	-94.6	-7.2	179.3	73.4	0	0	0	0	113.3	Y202 V206 L228 T229 R233 T234 M235	Y202-T231 WeakPolarHBondContact OH-CB 3.29Å; V206-T231 HydrophobicContact CG1-CG2 4.16Å; V206-T231 HydrophobicContact CG2-CG2 4.04Å; L228-T231 WeakPolarHBondContact O-CB 3.15Å; L228-T231 WeakPolarHBondContact O-CG2 3.14Å; L228-T231 PolarHBondContact O-N 3.23Å; L228-T231 PolarHBondContact O-OG1 2.83Å; T229-T231 VanDerWaalsContact C-N 3.34Å; T231-R233 PolarHBondContact O-N 2.94Å; T231-T234 WeakPolarHBondContact O-CB 3.39Å; T231-T234 PolarHBondContact O-N 3.36Å; T231-M235 PolarHBondContact O-N 2.95Å; T231-M235 WeakPolarHBondContact OG1-CE 3.42Å
232	E	94.3	Very high	95.7	Very high	75 Å²	75	45.9 Å²	45.9	35%	0.35	23%	0.228	S	C	.	.	H	α-helix	trans	-57.5	-47.6	-175.8	-53.6	84	174.1	0	0	110.6	G230 T234 M235 D236	G230-E232 WeakPolarHBondContact CA-OE2 3.4Å; G230-E232 PolarHBondContact N-OE1 3.09Å; G230-E232 PolarHBondContact N-OE2 3.22Å; E232-T234 PolarHBondContact O-N 3.36Å; E232-T234 VanDerWaalsContact O-N 3.15Å; E232-M235 WeakPolarHBondContact O-CB 3.39Å; E232-M235 PolarHBondContact O-N 3.22Å; E232-D236 VanDerWaalsContact O-CG 3.26Å; E232-D236 PolarHBondContact O-N 3.28Å
233	R	95.1	Very high	95.6	Very high	150 Å²	150	45.6 Å²	45.6	57%	0.566	23%	0.227	S	C	*	.	H	α-helix	trans	-55.6	-36.9	176.5	-176.6	-180	-178.9	177.7	1.6	112.7	T231 R237 S316	T231-R233 PolarHBondContact O-N 2.94Å; R233-R237 VanDerWaalsContact O-CB 3.3Å; R233-R237 WeakPolarHBondContact O-CB 3.26Å; R233-R237 PolarHBondContact O-N 3.23Å; R233-S316 WeakPolarHBondContact CD-O 3.36Å; R233-S316 PolarHBondContact NE-O 3.33Å
234	T	96.7	Very high	95.4	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.018	25%	0.25	C	C	.	.	H	α-helix	trans	-76	-35.5	-179.1	-54.3	0	0	0	0	111.1	Y202 T231 E232 L238 N312 S316	Y202-T234 HydrophobicContact CD2-CG2 4.21Å; Y202-T234 HydrophobicContact CE1-CG2 3.92Å; Y202-T234 HydrophobicContact CE2-CG2 3.45Å; Y202-T234 VanDerWaalsContact CE2-CG2 3.45Å; Y202-T234 VanDerWaalsContact CZ-CB 3.46Å; Y202-T234 WeakPolarHBondContact OH-CB 3.39Å; Y202-T234 WeakPolarHBondContact OH-CG2 3.41Å; Y202-T234 PolarHBondContact OH-OG1 3.45Å; T231-T234 WeakPolarHBondContact O-CB 3.39Å; T231-T234 PolarHBondContact O-N 3.36Å; E232-T234 PolarHBondContact O-N 3.36Å; E232-T234 VanDerWaalsContact O-N 3.15Å; T234-L238 WeakPolarHBondContact O-CB 3.41Å; T234-L238 PolarHBondContact O-N 3.33Å; T234-N312 WeakPolarHBondContact CG2-ND2 3.35Å; T234-N312 PolarHBondContact O-ND2 3.04Å; T234-S316 WeakPolarHBondContact CA-OG 3.49Å; T234-S316 WeakPolarHBondContact OG1-CB 3.33Å
235	M	97.8	Very high	95.3	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.015	26%	0.258	C	S	.	.	H	α-helix	trans	-66.4	-45.2	171.4	-69.4	-172.5	-75.4	0	0	111.8	Y123 L199 Y202 I203 T231 E232 R237 L238 I239	Y123-M235 HydrophobicContact CD1-SD 4.32Å; Y123-M235 HydrophobicContact CD2-CB 4.37Å; Y123-M235 HydrophobicContact CD2-CE 3.6Å; Y123-M235 HydrophobicContact CD2-SD 4.14Å; Y123-M235 HydrophobicContact CE1-CB 4.2Å; Y123-M235 HydrophobicContact CE2-CB 3.81Å; Y123-M235 HydrophobicContact CE2-CE 4.15Å; Y123-M235 HydrophobicContact CG-CE 3.94Å; Y123-M235 HydrophobicContact CG-SD 4.01Å; L199-M235 HydrophobicContact CD1-CB 3.78Å; L199-M235 HydrophobicContact CD1-CG 3.58Å; L199-M235 HydrophobicContact CD1-SD 3.87Å; Y202-M235 HydrophobicContact CD1-CG 3.41Å; Y202-M235 VanDerWaalsContact CD1-CG 3.41Å; Y202-M235 HydrophobicContact CD1-SD 4.25Å; Y202-M235 HydrophobicContact CE1-CG 3.57Å; Y202-M235 HydrophobicContact CE1-SD 4.49Å; I203-M235 HydrophobicContact CG1-SD 4.34Å; T231-M235 PolarHBondContact O-N 2.95Å; T231-M235 WeakPolarHBondContact OG1-CE 3.42Å; E232-M235 WeakPolarHBondContact O-CB 3.39Å; E232-M235 PolarHBondContact O-N 3.22Å; M235-R237 VanDerWaalsContact C-N 3.34Å; M235-R237 PolarHBondContact O-N 3.15Å; M235-L238 WeakPolarHBondContact O-CB 3.44Å; M235-L238 PolarHBondContact O-N 3.45Å; M235-I239 WeakPolarHBondContact O-CG1 3.22Å; M235-I239 PolarHBondContact O-N 3.38Å; M235-I239 VanDerWaalsContact O-N 3.16Å
236	D	97	Very high	95.3	Very high	53 Å²	53	49.8 Å²	49.8	28%	0.283	25%	0.247	S	C	.	.	H	α-helix	trans	-60.4	-46.1	177.2	-66.8	-21.8	0	0	0	111.1	Y123 E232 L238 I239 C240	Y123-D236 WeakPolarHBondContact CE2-OD1 3.28Å; Y123-D236 PolarHBondContact OH-N 3.3Å; Y123-D236 PolarHBondContact OH-OD1 3.49Å; E232-D236 VanDerWaalsContact O-CG 3.26Å; E232-D236 PolarHBondContact O-N 3.28Å; D236-L238 VanDerWaalsContact C-N 3.33Å; D236-L238 PolarHBondContact O-N 2.98Å; D236-I239 PolarHBondContact O-N 3.32Å; D236-C240 WeakPolarHBondContact O-CB 3.31Å; D236-C240 PolarHBondContact O-N 3.45Å; D236-C240 PolarHBondContact O-SG 3.45Å
237	R	97.2	Very high	95.4	Very high	43 Å²	43	41.1 Å²	41.1	16%	0.162	21%	0.214	C	C	.	.	H	α-helix	trans	-61.9	-41.9	176.5	-168.4	-159.3	168.4	-148.9	-10.1	111	R233 M235 I239 C240 W241 D289 I311 N312 S316	R233-R237 VanDerWaalsContact O-CB 3.3Å; R233-R237 WeakPolarHBondContact O-CB 3.26Å; R233-R237 PolarHBondContact O-N 3.23Å; M235-R237 VanDerWaalsContact C-N 3.34Å; M235-R237 PolarHBondContact O-N 3.15Å; R237-I239 VanDerWaalsContact C-N 3.29Å; R237-I239 PolarHBondContact O-N 2.85Å; R237-C240 CarbonylContact O-C 3.58Å; R237-C240 PolarHBondContact O-N 3.14Å; R237-W241 WeakPolarHBondContact O-CB 3.48Å; R237-W241 PolarHBondContact O-N 3.1Å; R237-D289 IonicContact CZ-OD1 2.7Å; R237-D289 IonicContact NH2-OD1 3.93Å; R237-D289 PolarHBondContact NH2-OD1 3.38Å; R237-D289 IonicContact NH2-OD2 2.76Å; R237-D289 PolarHBondContact NH2-OD2 3.02Å; R237-I311 PolarHBondContact NH1-O 2.98Å; R237-N312 WeakPolarHBondContact CD-OD1 3.4Å; R237-N312 PolarHBondContact NH1-O 3.21Å; R237-S316 WeakPolarHBondContact CB-OG 3.45Å; R237-S316 WeakPolarHBondContact CD-OG 3.47Å; R237-S316 VanDerWaalsContact NH1-N 3.18Å
238	L	97.8	Very high	95.3	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	20%	0.2	C	C	.	.	H	α-helix	trans	-57.2	-43.9	179	-175.8	62.7	0	0	0	111.7	C198 L199 T234 M235 D236 W241 A242 L248 N312	C198-L238 HydrophobicContact CB-CD1 4.43Å; C198-L238 HydrophobicContact CB-CD2 4.11Å; L199-L238 HydrophobicContact CB-CD2 4.39Å; L199-L238 HydrophobicContact CD1-CD2 4.35Å; T234-L238 WeakPolarHBondContact O-CB 3.41Å; T234-L238 PolarHBondContact O-N 3.33Å; M235-L238 WeakPolarHBondContact O-CB 3.44Å; M235-L238 PolarHBondContact O-N 3.45Å; D236-L238 VanDerWaalsContact C-N 3.33Å; D236-L238 PolarHBondContact O-N 2.98Å; L238-W241 HydrophobicContact CD1-CE3 4.06Å; L238-W241 HydrophobicContact CD1-CZ3 4.45Å; L238-W241 PolarHBondContact O-N 3.15Å; L238-A242 PolarHBondContact O-N 3.43Å; L238-A242 VanDerWaalsContact O-N 3.08Å; L238-L248 HydrophobicContact CD1-CD1 3.97Å; L238-N312 HydrophobicContact CD1-CB 4.24Å; L238-N312 PolarHBondContact N-OD1 3.37Å
239	I	97.1	Very high	95.2	Very high	7 Å²	7	38.6 Å²	38.6	4%	0.036	20%	0.201	C	C	.	.	H	α-helix	trans	-70.9	-43.4	179	-57.5	159.1	0	0	0	110.4	K110 V112 Y123 R125 M235 D236 R237 W241 A242 E243	K110-I239 HydrophobicContact CD-CG2 4.12Å; V112-I239 HydrophobicContact CB-CD1 3.92Å; V112-I239 HydrophobicContact CG1-CD1 4.32Å; V112-I239 HydrophobicContact CG2-CD1 3.67Å; V112-I239 HydrophobicContact CG2-CG1 4.26Å; V112-I239 HydrophobicContact CG2-CG2 4.28Å; Y123-I239 HydrophobicContact CE1-CD1 3.88Å; Y123-I239 VanDerWaalsContact OH-CD1 3.31Å; Y123-I239 WeakPolarHBondContact OH-CD1 3.4Å; R125-I239 HydrophobicContact CB-CD1 4.13Å; R125-I239 HydrophobicContact CG-CD1 4.11Å; R125-I239 VanDerWaalsContact CZ-CG2 3.49Å; M235-I239 WeakPolarHBondContact O-CG1 3.22Å; M235-I239 PolarHBondContact O-N 3.38Å; M235-I239 VanDerWaalsContact O-N 3.16Å; D236-I239 PolarHBondContact O-N 3.32Å; R237-I239 VanDerWaalsContact C-N 3.29Å; R237-I239 PolarHBondContact O-N 2.85Å; I239-W241 VanDerWaalsContact C-N 3.26Å; I239-W241 PolarHBondContact O-N 2.97Å; I239-A242 WeakPolarHBondContact O-CB 3.44Å; I239-A242 PolarHBondContact O-N 3.18Å; I239-E243 PolarHBondContact O-N 3.49Å
240	C	95.6	Very high	95.3	Very high	44 Å²	44	33.7 Å²	33.7	30%	0.297	17%	0.171	S	C	.	.	H	α-helix	trans	-60.8	-36.5	174.3	-65.7	0	0	0	0	112.2	R125 D236 R237 A242 E243 K244	R125-C240 PolarHBondContact NH2-SG 3.14Å; R125-C240 VanDerWaalsContact NH2-SG 3.38Å; D236-C240 WeakPolarHBondContact O-CB 3.31Å; D236-C240 PolarHBondContact O-N 3.45Å; D236-C240 PolarHBondContact O-SG 3.45Å; R237-C240 CarbonylContact O-C 3.58Å; R237-C240 PolarHBondContact O-N 3.14Å; C240-A242 VanDerWaalsContact C-N 3.35Å; C240-E243 PolarHBondContact O-N 3.31Å; C240-K244 PolarHBondContact O-N 3.06Å
241	W	95.5	Very high	95.4	Very high	14 Å²	14	34 Å²	34	5%	0.053	16%	0.159	C	C	.	.	H	α-helix	trans	-66.2	-40.1	177.7	-173.6	39.2	0	0	0	110.5	R237 L238 I239 E243 K244 D245 L248 H308 I311 N312	R237-W241 WeakPolarHBondContact O-CB 3.48Å; R237-W241 PolarHBondContact O-N 3.1Å; L238-W241 HydrophobicContact CD1-CE3 4.06Å; L238-W241 HydrophobicContact CD1-CZ3 4.45Å; L238-W241 PolarHBondContact O-N 3.15Å; I239-W241 VanDerWaalsContact C-N 3.26Å; I239-W241 PolarHBondContact O-N 2.97Å; W241-E243 PolarHBondContact O-N 3.07Å; W241-K244 PolarHBondContact O-N 3.03Å; W241-K244 VanDerWaalsContact O-N 3.17Å; W241-D245 HydrophobicContact CG-CB 4.3Å; W241-D245 VanDerWaalsContact NE1-CG 3.32Å; W241-D245 PolarHBondContact NE1-OD1 3.25Å; W241-D245 WeakPolarHBondContact O-CB 3.21Å; W241-D245 PolarHBondContact O-N 2.91Å; W241-L248 HydrophobicContact CD2-CD1 4.38Å; W241-L248 HydrophobicContact CD2-CG 4.48Å; W241-L248 HydrophobicContact CE3-CD1 3.89Å; W241-L248 HydrophobicContact CE3-CD2 4.26Å; W241-L248 HydrophobicContact CE3-CG 4.07Å; W241-L248 HydrophobicContact CH2-CD2 4.44Å; W241-L248 HydrophobicContact CZ3-CD1 4.39Å; W241-L248 HydrophobicContact CZ3-CD2 3.94Å; W241-L248 HydrophobicContact CZ3-CG 4.21Å; W241-H308 HydrophobicContact CH2-CB 3.93Å; W241-H308 AromaticContact CH2-CD2 3.67Å; W241-H308 HydrophobicContact CZ3-CB 3.85Å; W241-H308 WeakPolarHBondContact CZ3-O 3.35Å; W241-I311 HydrophobicContact CH2-CB 4.08Å; W241-I311 HydrophobicContact CH2-CD1 4.48Å; W241-I311 HydrophobicContact CH2-CG2 3.72Å; W241-I311 HydrophobicContact CZ2-CG2 3.76Å; W241-I311 HydrophobicContact CZ3-CG2 4.41Å; W241-N312 HydrophobicContact CE3-CB 4.25Å; W241-N312 HydrophobicContact CZ3-CB 4.2Å
242	A	95.6	Very high	95.5	Very high	4 Å²	4	33.2 Å²	33.2	3%	0.033	16%	0.155	C	C	.	.	H	α-helix	trans	-63.1	-19.1	174.1	0	0	0	0	0	114.7	Q195 L238 I239 C240 L248 F441	Q195-A242 HydrophobicContact CG-CB 3.63Å; L238-A242 PolarHBondContact O-N 3.43Å; L238-A242 VanDerWaalsContact O-N 3.08Å; I239-A242 WeakPolarHBondContact O-CB 3.44Å; I239-A242 PolarHBondContact O-N 3.18Å; C240-A242 VanDerWaalsContact C-N 3.35Å; A242-L248 HydrophobicContact CB-CB 4.46Å; A242-L248 HydrophobicContact CB-CD1 3.69Å; A242-F441 WeakPolarHBondContact O-CZ 3.38Å
243	E	93.3	Very high	95.6	Very high	30 Å²	30	30 Å²	30	14%	0.14	14%	0.14	C	C	.	.	H	α-helix	trans	-93.6	-14.9	178.2	-67.7	175.3	162.7	0	0	113.7	K110 R125 L185 I239 C240 W241 F441	K110-E243 HydrophobicContact CD-CG 4.42Å; K110-E243 VanDerWaalsContact CD-OE1 3.26Å; K110-E243 WeakPolarHBondContact CD-OE1 3.36Å; K110-E243 IonicContact NZ-OE1 3.95Å; R125-E243 IonicContact CZ-OE1 3.42Å; R125-E243 IonicContact CZ-OE2 3.5Å; R125-E243 IonicContact NH1-OE1 2.88Å; R125-E243 PolarHBondContact NH1-OE1 3.49Å; R125-E243 IonicContact NH1-OE2 3.47Å; R125-E243 VanDerWaalsContact NH2-CD 3.25Å; R125-E243 IonicContact NH2-OE1 3.65Å; R125-E243 PolarHBondContact NH2-OE1 2.88Å; R125-E243 IonicContact NH2-OE2 3.8Å; R125-E243 PolarHBondContact NH2-OE2 2.85Å; L185-E243 HydrophobicContact CD1-CG 4.15Å; I239-E243 PolarHBondContact O-N 3.49Å; C240-E243 PolarHBondContact O-N 3.31Å; W241-E243 PolarHBondContact O-N 3.07Å; E243-F441 WeakPolarHBondContact O-CD1 3.5Å; E243-F441 WeakPolarHBondContact O-CE1 3.26Å; E243-F441 VanDerWaalsContact O-CG 3.3Å; E243-F441 WeakPolarHBondContact O-CG 3.33Å
244	K	91.7	Very high	95.6	Very high	148 Å²	148	23.2 Å²	23.2	64%	0.643	12%	0.115	S	C	*	.	H	α-helix	trans	-123.4	-19.4	-171.2	-64.4	-174.6	179.7	-171.8	0	113.6	C240 W241	C240-K244 PolarHBondContact O-N 3.06Å; W241-K244 PolarHBondContact O-N 3.03Å; W241-K244 VanDerWaalsContact O-N 3.17Å
245	D	94.5	Very high	95.4	Very high	34 Å²	34	23.1 Å²	23.1	18%	0.182	12%	0.115	C	C	.	.			trans	-125.9	145.4	-176.2	-177	-105.9	0	0	0	112.5	W241 S247 Y421 F441	W241-D245 HydrophobicContact CG-CB 4.3Å; W241-D245 VanDerWaalsContact NE1-CG 3.32Å; W241-D245 PolarHBondContact NE1-OD1 3.25Å; W241-D245 WeakPolarHBondContact O-CB 3.21Å; W241-D245 PolarHBondContact O-N 2.91Å; D245-S247 VanDerWaalsContact C-N 3.34Å; D245-S247 PolarHBondContact O-N 2.9Å; D245-S247 WeakPolarHBondContact OD1-CA 3.31Å; D245-S247 WeakPolarHBondContact OD1-CB 3.45Å; D245-S247 PolarHBondContact OD1-N 3.02Å; D245-S247 PolarHBondContact OD1-OG 2.95Å; D245-Y421 VanDerWaalsContact CG-OH 3.29Å; D245-Y421 PolarHBondContact OD1-OH 3.48Å; D245-Y421 PolarHBondContact OD2-OH 3.42Å; D245-F441 WeakPolarHBondContact O-CE2 3.36Å
246	F	95.9	Very high	95.2	Very high	7 Å²	7	23 Å²	23	3%	0.031	11%	0.114	C	C	.	.	H	α-helix	trans	-81.1	-11.7	-174.3	-52.1	-64.6	0	0	0	113.3	L248 M249 L250 I412 Y421 C423 F441 Y444	F246-L248 PolarHBondContact O-N 2.82Å; F246-M249 HydrophobicContact CB-CE 4.48Å; F246-M249 HydrophobicContact CD1-CE 3.76Å; F246-M249 PolarHBondContact O-N 2.85Å; F246-L250 HydrophobicContact CB-CD1 3.77Å; F246-L250 HydrophobicContact CB-CG 4.2Å; F246-L250 VanDerWaalsContact O-CB 3.24Å; F246-L250 WeakPolarHBondContact O-CB 3.24Å; F246-L250 VanDerWaalsContact O-CG 3.26Å; F246-L250 WeakPolarHBondContact O-CG 3.26Å; F246-L250 PolarHBondContact O-N 3.39Å; F246-I412 HydrophobicContact CD1-CD1 3.46Å; F246-I412 VanDerWaalsContact CD1-CD1 3.46Å; F246-I412 HydrophobicContact CD2-CD1 3.66Å; F246-I412 HydrophobicContact CD2-CG1 3.99Å; F246-I412 HydrophobicContact CE1-CD1 3.37Å; F246-I412 HydrophobicContact CE2-CD1 3.59Å; F246-I412 HydrophobicContact CE2-CG1 3.89Å; F246-I412 HydrophobicContact CG-CD1 3.6Å; F246-I412 HydrophobicContact CG-CG1 4.35Å; F246-I412 HydrophobicContact CZ-CD1 3.44Å; F246-I412 VanDerWaalsContact CZ-CD1 3.44Å; F246-I412 HydrophobicContact CZ-CG1 4.17Å; F246-Y421 HydrophobicContact CB-CD2 4.41Å; F246-Y421 HydrophobicContact CB-CE2 3.84Å; F246-Y421 HydrophobicContact CD2-CE2 4.36Å; F246-C423 HydrophobicContact CD2-CB 4.41Å; F246-C423 HydrophobicContact CE2-CB 4.48Å; F246-F441 AromaticContact CD1-CD2 3.8Å; F246-F441 HydrophobicContact CD1-CD2 3.8Å; F246-F441 AromaticContact CD1-CE2 3.67Å; F246-F441 HydrophobicContact CD1-CE2 3.67Å; F246-F441 AromaticContact CE1-CD2 3.4Å; F246-F441 HydrophobicContact CE1-CD2 3.4Å; F246-F441 VanDerWaalsContact CE1-CD2 3.4Å; F246-F441 AromaticContact CE1-CE2 3.8Å; F246-F441 HydrophobicContact CE1-CE2 3.8Å; F246-F441 HydrophobicContact CE1-CG 4.3Å; F246-F441 HydrophobicContact CZ-CD2 4.1Å; F246-Y444 AromaticContact CE1-CD2 3.85Å; F246-Y444 HydrophobicContact CE1-CD2 3.85Å; F246-Y444 HydrophobicContact CE1-CG 4.07Å; F246-Y444 AromaticContact CZ-CD2 3.81Å; F246-Y444 HydrophobicContact CZ-CD2 3.81Å; F246-Y444 HydrophobicContact CZ-CE2 4.28Å; F246-Y444 HydrophobicContact CZ-CG 4.43Å
247	S	95.9	Very high	95.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-53.6	-52.4	-176.1	-66.6	0	0	0	0	112.4	D245 L250 N251 A252 Y421	D245-S247 VanDerWaalsContact C-N 3.34Å; D245-S247 PolarHBondContact O-N 2.9Å; D245-S247 WeakPolarHBondContact OD1-CA 3.31Å; D245-S247 WeakPolarHBondContact OD1-CB 3.45Å; D245-S247 PolarHBondContact OD1-N 3.02Å; D245-S247 PolarHBondContact OD1-OG 2.95Å; S247-L250 PolarHBondContact O-N 2.71Å; S247-N251 WeakPolarHBondContact O-CA 3.38Å; S247-N251 PolarHBondContact O-N 2.95Å; S247-A252 VanDerWaalsContact CA-O 3.3Å; S247-A252 WeakPolarHBondContact CA-O 3.46Å; S247-A252 WeakPolarHBondContact CB-O 3.24Å; S247-A252 PolarHBondContact O-N 2.86Å; S247-A252 VanDerWaalsContact O-N 3.08Å; S247-Y421 PolarHBondContact N-OH 3.25Å; S247-Y421 VanDerWaalsContact OG-CE1 3.3Å; S247-Y421 WeakPolarHBondContact OG-CE1 3.38Å; S247-Y421 PolarHBondContact OG-OH 3.38Å
248	L	95	Very high	95	Very high	7 Å²	7	19.3 Å²	19.3	4%	0.037	10%	0.099	C	C	.	.	H	α-helix	trans	-71.1	-40	-176.5	-62	-175.6	0	0	0	111.1	R194 L238 W241 A242 F246 L250 N251 H308	R194-L248 WeakPolarHBondContact CD-O 3.47Å; R194-L248 PolarHBondContact NE-O 2.84Å; R194-L248 PolarHBondContact NH1-O 2.87Å; L238-L248 HydrophobicContact CD1-CD1 3.97Å; W241-L248 HydrophobicContact CD2-CD1 4.38Å; W241-L248 HydrophobicContact CD2-CG 4.48Å; W241-L248 HydrophobicContact CE3-CD1 3.89Å; W241-L248 HydrophobicContact CE3-CD2 4.26Å; W241-L248 HydrophobicContact CE3-CG 4.07Å; W241-L248 HydrophobicContact CH2-CD2 4.44Å; W241-L248 HydrophobicContact CZ3-CD1 4.39Å; W241-L248 HydrophobicContact CZ3-CD2 3.94Å; W241-L248 HydrophobicContact CZ3-CG 4.21Å; A242-L248 HydrophobicContact CB-CB 4.46Å; A242-L248 HydrophobicContact CB-CD1 3.69Å; F246-L248 PolarHBondContact O-N 2.82Å; L248-L250 VanDerWaalsContact C-N 3.34Å; L248-L250 PolarHBondContact O-N 2.9Å; L248-N251 PolarHBondContact O-N 3.26Å; L248-H308 HydrophobicContact CD2-CB 3.99Å
249	M	94.3	Very high	94.9	Very high	9 Å²	9	22 Å²	22	4%	0.044	12%	0.117	C	C	.	.	H	α-helix	trans	-64.9	-34.8	175.1	-178.9	-176.3	77.2	0	0	112.6	Q191 R194 F246 A445 H448	Q191-M249 HydrophobicContact CG-CG 4.22Å; Q191-M249 PolarHBondContact NE2-SD 3.37Å; Q191-M249 VanDerWaalsContact NE2-SD 3.44Å; R194-M249 PolarHBondContact NH1-O 2.85Å; R194-M249 PolarHBondContact NH2-O 3.27Å; F246-M249 HydrophobicContact CB-CE 4.48Å; F246-M249 HydrophobicContact CD1-CE 3.76Å; F246-M249 PolarHBondContact O-N 2.85Å; M249-A445 VanDerWaalsContact SD-CA 3.52Å; M249-A445 HydrophobicContact SD-CB 3.97Å; M249-H448 HydrophobicContact CE-CB 4.05Å; M249-H448 HydrophobicContact CG-CB 4.38Å; M249-H448 PolarHBondContact O-CE1 2.91Å; M249-H448 VanDerWaalsContact O-CE1 3.25Å; M249-H448 PolarHBondContact O-NE2 3.03Å; M249-H448 VanDerWaalsContact O-NE2 3.07Å; M249-H448 HydrophobicContact SD-CB 3.83Å
250	L	95.5	Very high	94.7	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-90.7	-12.8	-179.1	-66.9	176.1	0	0	0	113.1	F246 S247 L248 A252 I412 K414 Y421 Y481	F246-L250 HydrophobicContact CB-CD1 3.77Å; F246-L250 HydrophobicContact CB-CG 4.2Å; F246-L250 VanDerWaalsContact O-CB 3.24Å; F246-L250 WeakPolarHBondContact O-CB 3.24Å; F246-L250 VanDerWaalsContact O-CG 3.26Å; F246-L250 WeakPolarHBondContact O-CG 3.26Å; F246-L250 PolarHBondContact O-N 3.39Å; S247-L250 PolarHBondContact O-N 2.71Å; L248-L250 VanDerWaalsContact C-N 3.34Å; L248-L250 PolarHBondContact O-N 2.9Å; L250-A252 HydrophobicContact CB-CB 3.89Å; L250-A252 PolarHBondContact O-N 3.05Å; L250-I412 HydrophobicContact CD1-CG2 3.67Å; L250-K414 HydrophobicContact CB-CD 4.14Å; L250-K414 HydrophobicContact CD1-CB 4.48Å; L250-K414 HydrophobicContact CD2-CD 4.22Å; L250-K414 WeakPolarHBondContact O-CE 3.17Å; L250-K414 PolarHBondContact O-NZ 3.35Å; L250-Y421 HydrophobicContact CD1-CD1 4.24Å; L250-Y421 HydrophobicContact CD1-CD2 3.83Å; L250-Y421 HydrophobicContact CD1-CE2 4.47Å; L250-Y421 HydrophobicContact CD1-CG 3.69Å; L250-Y481 HydrophobicContact CD2-CE2 4.3Å
251	N	94.3	Very high	94.7	Very high	62 Å²	62	25 Å²	25	33%	0.332	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	46.6	-167.4	-169.9	38.7	0	0	0	109.9	R194 S247 L248	R194-N251 VanDerWaalsContact NH1-CB 3.27Å; S247-N251 WeakPolarHBondContact O-CA 3.38Å; S247-N251 PolarHBondContact O-N 2.95Å; L248-N251 PolarHBondContact O-N 3.26Å
252	A	95.7	Very high	94.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.139	C	C	.	.			trans	-140.1	161.8	-173.8	0	0	0	0	0	110.1	S247 L250 H308 K414 C419 Y421	S247-A252 VanDerWaalsContact CA-O 3.3Å; S247-A252 WeakPolarHBondContact CA-O 3.46Å; S247-A252 WeakPolarHBondContact CB-O 3.24Å; S247-A252 PolarHBondContact O-N 2.86Å; S247-A252 VanDerWaalsContact O-N 3.08Å; L250-A252 HydrophobicContact CB-CB 3.89Å; L250-A252 PolarHBondContact O-N 3.05Å; A252-H308 PolarHBondContact O-NE2 2.84Å; A252-K414 HydrophobicContact CB-CD 4.46Å; A252-K414 HydrophobicContact CB-CG 4.21Å; A252-C419 CarbonylContact C-O 3.55Å; A252-C419 WeakPolarHBondContact CA-O 3.5Å; A252-C419 WeakPolarHBondContact CB-O 3.33Å; A252-Y421 HydrophobicContact CB-CD1 3.71Å; A252-Y421 HydrophobicContact CB-CG 4.4Å
253	I	95.7	Very high	94.8	Very high	8 Å²	8	24.7 Å²	24.7	4%	0.041	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131.1	-178.6	-56.7	-63.3	0	0	0	109.3	C255 L291 P304 L307 H308 C419 Q420 Y421	I253-C255 PolarHBondContact O-N 3.36Å; I253-L291 HydrophobicContact CG2-CB 3.77Å; I253-L291 HydrophobicContact CG2-CD2 4.1Å; I253-P304 HydrophobicContact CD1-CB 4.12Å; I253-P304 HydrophobicContact CG1-CB 4.05Å; I253-L307 HydrophobicContact CB-CD2 4.37Å; I253-L307 HydrophobicContact CD1-CB 3.9Å; I253-L307 HydrophobicContact CD1-CD2 3.7Å; I253-L307 HydrophobicContact CD1-CG 3.93Å; I253-L307 HydrophobicContact CG1-CD2 3.82Å; I253-L307 HydrophobicContact CG2-CD2 3.69Å; I253-H308 VanDerWaalsContact CD1-CD2 3.46Å; I253-H308 WeakPolarHBondContact CD1-CD2 3.42Å; I253-H308 WeakPolarHBondContact CD1-NE2 3.5Å; I253-C419 PolarHBondContact N-O 3.43Å; I253-Q420 WeakPolarHBondContact O-CA 3.27Å; I253-Y421 PolarHBondContact O-N 2.89Å
254	S	95.1	Very high	95	Very high	7 Å²	7	28.4 Å²	28.4	5%	0.049	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	116	168.8	-178.5	0	0	0	0	108.7	Q290 L291	S254-Q290 CarbonylContact O-C 3.55Å; S254-Q290 VanDerWaalsContact O-CA 3.29Å; S254-Q290 WeakPolarHBondContact O-CA 3.36Å; S254-Q290 PolarHBondContact OG-NE2 3.2Å; S254-L291 PolarHBondContact O-N 2.93Å
255	C	92.3	Very high	95.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-89	137.1	168.5	-66.1	0	0	0	0	109.3	I253 A257 L291 Q420	I253-C255 PolarHBondContact O-N 3.36Å; C255-A257 PolarHBondContact O-N 2.87Å; C255-L291 WeakPolarHBondContact CA-O 3.45Å; C255-Q420 PolarHBondContact SG-OE1 3.17Å
256	L	94.4	Very high	95.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-63.4	124.3	171.8	173.7	65.4	0	0	0	108.3	M258 R263 Q290 L291 V292 L388 L392	L256-M258 PolarHBondContact O-N 3.17Å; L256-R263 PolarHBondContact O-NH1 2.91Å; L256-R263 PolarHBondContact O-NH2 3.32Å; L256-Q290 HydrophobicContact CB-CB 4.08Å; L256-Q290 VanDerWaalsContact CD1-OE1 3.23Å; L256-L291 PolarHBondContact N-O 3.14Å; L256-V292 HydrophobicContact CD2-CG2 4.14Å; L256-L388 HydrophobicContact CD2-CD1 3.32Å; L256-L392 HydrophobicContact CD1-CD2 3.57Å; L256-L392 HydrophobicContact CD2-CD2 3.88Å; L256-L392 HydrophobicContact CD2-CG 4.33Å; L256-L392 HydrophobicContact CG-CD2 4.4Å
257	A	94.1	Very high	95.5	Very high	13 Å²	13	22 Å²	22	11%	0.107	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-68.3	118.4	174.2	0	0	0	0	0	109.9	C255 L511	C255-A257 PolarHBondContact O-N 2.87Å; A257-L511 HydrophobicContact CB-CD2 3.73Å
258	M	95.3	Very high	95.5	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.03	16%	0.155	C	C	.	.			trans	-158.7	161.5	179.6	62.2	169.8	167.9	0	0	110.7	L256 S260 L262 R263 V292 L388 A391 N510	L256-M258 PolarHBondContact O-N 3.17Å; M258-S260 PolarHBondContact O-N 3.33Å; M258-L262 HydrophobicContact CB-CD2 4.42Å; M258-L262 HydrophobicContact SD-CB 4.42Å; M258-L262 HydrophobicContact SD-CD2 3.93Å; M258-L262 HydrophobicContact SD-CG 3.98Å; M258-R263 HydrophobicContact CE-CB 3.54Å; M258-R263 HydrophobicContact CE-CG 3.56Å; M258-R263 HydrophobicContact SD-CB 4.47Å; M258-V292 HydrophobicContact CE-CB 4.3Å; M258-V292 HydrophobicContact CE-CG1 3.46Å; M258-V292 VanDerWaalsContact CE-CG1 3.46Å; M258-V292 WeakPolarHBondContact CE-O 3.41Å; M258-V292 HydrophobicContact SD-CG1 4.21Å; M258-L388 HydrophobicContact SD-CD1 4.34Å; M258-A391 HydrophobicContact CB-CB 4.05Å; M258-N510 PolarHBondContact N-O 3.07Å; M258-N510 VanDerWaalsContact N-O 3.13Å; M258-N510 CarbonylContact O-C 3.6Å; M258-N510 VanDerWaalsContact O-CA 3.25Å; M258-N510 WeakPolarHBondContact O-CA 3.35Å
259	P	95.3	Very high	95.7	Very high	60 Å²	60	27.5 Å²	27.5	39%	0.39	15%	0.154	S	C	.	.			trans	-52.8	137	177.6	-27.9	36	0	0	0	112.7	S261 L262 R263	P259-S261 VanDerWaalsContact C-N 3.27Å; P259-S261 PolarHBondContact O-N 2.92Å; P259-L262 HydrophobicContact CB-CB 4.35Å; P259-L262 WeakPolarHBondContact O-CB 3.42Å; P259-L262 PolarHBondContact O-N 2.78Å; P259-R263 PolarHBondContact O-N 3.45Å; P259-R263 VanDerWaalsContact O-N 3.15Å
260	S	94.8	Very high	95.8	Very high	37 Å²	37	27.1 Å²	27.1	26%	0.259	15%	0.152	S	C	.	.	H	α-helix	trans	-57	-39.7	-177.9	69.5	0	0	0	0	113.2	M258 L262 R263 E264 V509 N510	M258-S260 PolarHBondContact O-N 3.33Å; S260-L262 VanDerWaalsContact C-N 3.31Å; S260-L262 PolarHBondContact O-N 2.94Å; S260-R263 WeakPolarHBondContact O-CB 3.42Å; S260-R263 PolarHBondContact O-N 3.16Å; S260-E264 WeakPolarHBondContact O-CB 3.39Å; S260-E264 WeakPolarHBondContact O-CG 3.48Å; S260-E264 PolarHBondContact O-N 2.88Å; S260-V509 VanDerWaalsContact CB-CG1 3.4Å; S260-N510 PolarHBondContact N-OD1 2.88Å
261	S	94.9	Very high	95.9	Very high	78 Å²	78	28 Å²	28	55%	0.545	16%	0.159	S	C	.	.	H	α-helix	trans	-62.4	-36.6	177.4	55.3	0	0	0	0	112.8	P259 N265	P259-S261 VanDerWaalsContact C-N 3.27Å; P259-S261 PolarHBondContact O-N 2.92Å; S261-N265 WeakPolarHBondContact O-CB 3.45Å; S261-N265 PolarHBondContact O-N 3.29Å
262	L	97	Very high	96	Very high	8 Å²	8	26.4 Å²	26.4	4%	0.042	15%	0.153	C	C	.	.	H	α-helix	trans	-66.7	-46.3	175	-178.3	59.5	0	0	0	110.3	M258 P259 S260 E264 N265 F266 A384 M387	M258-L262 HydrophobicContact CB-CD2 4.42Å; M258-L262 HydrophobicContact SD-CB 4.42Å; M258-L262 HydrophobicContact SD-CD2 3.93Å; M258-L262 HydrophobicContact SD-CG 3.98Å; P259-L262 HydrophobicContact CB-CB 4.35Å; P259-L262 WeakPolarHBondContact O-CB 3.42Å; P259-L262 PolarHBondContact O-N 2.78Å; S260-L262 VanDerWaalsContact C-N 3.31Å; S260-L262 PolarHBondContact O-N 2.94Å; L262-E264 VanDerWaalsContact C-N 3.33Å; L262-E264 PolarHBondContact O-N 2.85Å; L262-N265 WeakPolarHBondContact O-CB 3.22Å; L262-N265 PolarHBondContact O-N 2.93Å; L262-F266 HydrophobicContact CD1-CD2 4.11Å; L262-F266 HydrophobicContact CD1-CE2 3.73Å; L262-F266 HydrophobicContact CG-CD2 4.15Å; L262-F266 HydrophobicContact CG-CE2 3.93Å; L262-F266 WeakPolarHBondContact O-CD2 3.24Å; L262-F266 PolarHBondContact O-N 2.83Å; L262-F266 VanDerWaalsContact O-N 3.1Å; L262-A384 HydrophobicContact CD1-CB 4.07Å; L262-M387 HydrophobicContact CD1-CB 3.82Å; L262-M387 HydrophobicContact CD1-CE 3.96Å; L262-M387 HydrophobicContact CD1-SD 4.47Å; L262-M387 HydrophobicContact CD2-CB 3.88Å; L262-M387 HydrophobicContact CG-CB 4.49Å
263	R	96.5	Very high	96	Very high	3 Å²	3	26.7 Å²	26.7	1%	0.011	15%	0.154	C	C	.	.	H	α-helix	trans	-58.9	-44.3	176	-166.5	178.9	-50.7	-85	4	112.5	L256 M258 P259 S260 N265 F266 T267 V292 N510 S513	L256-R263 PolarHBondContact O-NH1 2.91Å; L256-R263 PolarHBondContact O-NH2 3.32Å; M258-R263 HydrophobicContact CE-CB 3.54Å; M258-R263 HydrophobicContact CE-CG 3.56Å; M258-R263 HydrophobicContact SD-CB 4.47Å; P259-R263 PolarHBondContact O-N 3.45Å; P259-R263 VanDerWaalsContact O-N 3.15Å; S260-R263 WeakPolarHBondContact O-CB 3.42Å; S260-R263 PolarHBondContact O-N 3.16Å; R263-N265 VanDerWaalsContact C-N 3.31Å; R263-N265 PolarHBondContact O-N 3.41Å; R263-F266 PolarHBondContact O-N 3.22Å; R263-T267 WeakPolarHBondContact O-CB 3.41Å; R263-T267 PolarHBondContact O-N 3.04Å; R263-T267 PolarHBondContact O-OG1 3.47Å; R263-V292 PolarHBondContact NH1-O 3.13Å; R263-N510 PolarHBondContact NH2-O 3.34Å; R263-N510 VanDerWaalsContact NH2-O 3.09Å; R263-S513 VanDerWaalsContact CD-O 3.28Å; R263-S513 WeakPolarHBondContact CD-O 3.39Å
264	E	96	Very high	96.1	Very high	109 Å²	109	26.3 Å²	26.3	51%	0.509	15%	0.152	S	C	.	.	H	α-helix	trans	-61.4	-39.9	176.9	-75.7	171.4	-173.7	0	0	111.3	S260 L262 T267 H268	S260-E264 WeakPolarHBondContact O-CB 3.39Å; S260-E264 WeakPolarHBondContact O-CG 3.48Å; S260-E264 PolarHBondContact O-N 2.88Å; L262-E264 VanDerWaalsContact C-N 3.33Å; L262-E264 PolarHBondContact O-N 2.85Å; E264-T267 PolarHBondContact O-N 3.41Å; E264-H268 WeakPolarHBondContact O-CB 3.3Å; E264-H268 PolarHBondContact O-N 2.89Å
265	N	97.3	Very high	96	Very high	41 Å²	41	28.7 Å²	28.7	22%	0.219	17%	0.172	C	C	.	.	H	α-helix	trans	-61.9	-46.2	175.7	-174.8	17.2	0	0	0	112.4	S261 L262 R263 T269 S382	S261-N265 WeakPolarHBondContact O-CB 3.45Å; S261-N265 PolarHBondContact O-N 3.29Å; L262-N265 WeakPolarHBondContact O-CB 3.22Å; L262-N265 PolarHBondContact O-N 2.93Å; R263-N265 VanDerWaalsContact C-N 3.31Å; R263-N265 PolarHBondContact O-N 3.41Å; N265-T269 VanDerWaalsContact O-CB 3.28Å; N265-T269 WeakPolarHBondContact O-CB 3.26Å; N265-T269 PolarHBondContact O-N 3.37Å; N265-T269 PolarHBondContact O-OG1 3.48Å; N265-S382 VanDerWaalsContact ND2-CB 3.32Å; N265-S382 WeakPolarHBondContact ND2-CB 3.42Å; N265-S382 PolarHBondContact ND2-OG 2.96Å
266	F	97.9	Very high	95.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.2	-49.3	173.6	-82.8	-81.6	0	0	0	111.5	L262 R263 H268 T269 L270 I285 V292 A293 L379 A384 L385 L388	L262-F266 HydrophobicContact CD1-CD2 4.11Å; L262-F266 HydrophobicContact CD1-CE2 3.73Å; L262-F266 HydrophobicContact CG-CD2 4.15Å; L262-F266 HydrophobicContact CG-CE2 3.93Å; L262-F266 WeakPolarHBondContact O-CD2 3.24Å; L262-F266 PolarHBondContact O-N 2.83Å; L262-F266 VanDerWaalsContact O-N 3.1Å; R263-F266 PolarHBondContact O-N 3.22Å; F266-H268 PolarHBondContact O-N 2.78Å; F266-T269 PolarHBondContact O-N 2.85Å; F266-L270 WeakPolarHBondContact O-CG 3.3Å; F266-L270 PolarHBondContact O-N 2.61Å; F266-I285 HydrophobicContact CD1-CD1 3.64Å; F266-I285 HydrophobicContact CE1-CD1 4.26Å; F266-V292 HydrophobicContact CD1-CG1 4.3Å; F266-V292 HydrophobicContact CD2-CG1 4.02Å; F266-V292 HydrophobicContact CE2-CG1 4.28Å; F266-V292 HydrophobicContact CG-CG1 4.06Å; F266-A293 HydrophobicContact CB-CB 3.61Å; F266-L379 HydrophobicContact CD1-CD1 3.88Å; F266-L379 HydrophobicContact CD1-CD2 3.56Å; F266-L379 HydrophobicContact CD1-CG 4.38Å; F266-L379 HydrophobicContact CE1-CD1 3.69Å; F266-L379 HydrophobicContact CE1-CD2 3.78Å; F266-L379 HydrophobicContact CE1-CG 4.31Å; F266-L379 HydrophobicContact CG-CD2 4.15Å; F266-L379 HydrophobicContact CZ-CD2 4.49Å; F266-A384 HydrophobicContact CE2-CB 3.97Å; F266-A384 HydrophobicContact CZ-CB 3.97Å; F266-L385 HydrophobicContact CE1-CD2 3.99Å; F266-L385 HydrophobicContact CZ-CD2 4.1Å; F266-L388 HydrophobicContact CE1-CD2 4.42Å; F266-L388 HydrophobicContact CE2-CB 4.17Å; F266-L388 HydrophobicContact CE2-CD2 4.47Å; F266-L388 HydrophobicContact CZ-CB 3.99Å; F266-L388 HydrophobicContact CZ-CD2 3.79Å; F266-L388 HydrophobicContact CZ-CG 4.38Å
267	T	97.4	Very high	95.6	Very high	14 Å²	14	33.6 Å²	33.6	9%	0.086	21%	0.205	C	C	.	.	H	α-helix	trans	-61.5	-45.6	-177.8	-55	0	0	0	0	111.7	R263 E264 L270 S271 N515	R263-T267 WeakPolarHBondContact O-CB 3.41Å; R263-T267 PolarHBondContact O-N 3.04Å; R263-T267 PolarHBondContact O-OG1 3.47Å; E264-T267 PolarHBondContact O-N 3.41Å; T267-L270 PolarHBondContact O-N 3.24Å; T267-S271 PolarHBondContact O-N 3.08Å; T267-S271 PolarHBondContact O-OG 3.42Å; T267-N515 WeakPolarHBondContact CG2-O 3.42Å
268	H	96.9	Very high	95.2	Very high	117 Å²	117	43 Å²	43	54%	0.542	24%	0.244	S	C	.	.	H	α-helix	trans	-66.5	-37.8	176.6	176.4	-90.3	0	0	0	112	E264 F266 S271 S272	E264-H268 WeakPolarHBondContact O-CB 3.3Å; E264-H268 PolarHBondContact O-N 2.89Å; F266-H268 PolarHBondContact O-N 2.78Å; H268-S271 PolarHBondContact O-OG 2.89Å; H268-S272 WeakPolarHBondContact O-CB 3.46Å; H268-S272 PolarHBondContact O-N 3.29Å; H268-S272 PolarHBondContact O-OG 3.36Å
269	T	98.1	Very high	95	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-63.9	-45	175.2	-63.1	0	0	0	0	110.9	N265 F266 S272 Q273 I375 R378 L379	N265-T269 VanDerWaalsContact O-CB 3.28Å; N265-T269 WeakPolarHBondContact O-CB 3.26Å; N265-T269 PolarHBondContact O-N 3.37Å; N265-T269 PolarHBondContact O-OG1 3.48Å; F266-T269 PolarHBondContact O-N 2.85Å; T269-S272 PolarHBondContact O-OG 2.85Å; T269-Q273 HydrophobicContact CG2-CG 4.49Å; T269-Q273 VanDerWaalsContact O-CB 3.31Å; T269-Q273 WeakPolarHBondContact O-CB 3.36Å; T269-Q273 VanDerWaalsContact O-CG 3.26Å; T269-Q273 WeakPolarHBondContact O-CG 3.38Å; T269-Q273 PolarHBondContact O-N 2.96Å; T269-Q273 VanDerWaalsContact O-N 3.14Å; T269-I375 HydrophobicContact CG2-CG2 4.33Å; T269-R378 HydrophobicContact CG2-CB 3.75Å; T269-L379 HydrophobicContact CG2-CD2 3.96Å; T269-L379 HydrophobicContact CG2-CG 4.04Å
270	L	97.8	Very high	95	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.4	-56.4	174.7	-71.2	-177.9	0	0	0	111.4	F266 T267 S272 Q273 C274 A283 I285 A293 L355 I375	F266-L270 WeakPolarHBondContact O-CG 3.3Å; F266-L270 PolarHBondContact O-N 2.61Å; T267-L270 PolarHBondContact O-N 3.24Å; L270-S272 PolarHBondContact O-N 2.81Å; L270-Q273 PolarHBondContact O-N 3.4Å; L270-C274 WeakPolarHBondContact O-CB 3.3Å; L270-C274 PolarHBondContact O-N 3.33Å; L270-C274 PolarHBondContact O-SG 2.91Å; L270-A283 HydrophobicContact CD1-CB 4.47Å; L270-A283 HydrophobicContact CD2-CB 4.14Å; L270-I285 HydrophobicContact CD1-CD1 3.93Å; L270-I285 HydrophobicContact CD1-CG1 4.03Å; L270-I285 HydrophobicContact CD2-CD1 3.81Å; L270-I285 HydrophobicContact CD2-CG1 4.14Å; L270-I285 HydrophobicContact CG-CD1 3.96Å; L270-I285 HydrophobicContact CG-CG1 4.47Å; L270-A293 HydrophobicContact CD1-CB 4.13Å; L270-L355 HydrophobicContact CD2-CD1 3.85Å; L270-I375 HydrophobicContact CD2-CD1 3.98Å; L270-I375 HydrophobicContact CD2-CG2 4.34Å
271	S	96.6	Very high	95.1	Very high	20 Å²	20	39.5 Å²	39.5	14%	0.14	22%	0.22	C	C	.	.	H	α-helix	trans	-62.8	-45.3	-175.4	62	0	0	0	0	112.3	T267 H268 Q273 C274 A275 H519	T267-S271 PolarHBondContact O-N 3.08Å; T267-S271 PolarHBondContact O-OG 3.42Å; H268-S271 PolarHBondContact O-OG 2.89Å; S271-Q273 VanDerWaalsContact C-N 3.28Å; S271-Q273 PolarHBondContact O-N 2.79Å; S271-C274 PolarHBondContact O-N 3.32Å; S271-A275 WeakPolarHBondContact O-CB 3.39Å; S271-A275 PolarHBondContact O-N 2.94Å; S271-H519 WeakPolarHBondContact O-CB 3.39Å
272	S	96.6	Very high	95.3	Very high	29 Å²	29	35.9 Å²	35.9	20%	0.203	20%	0.195	C	C	.	.	H	α-helix	trans	-67	-26.7	-179.7	67	0	0	0	0	113.6	H268 T269 L270 R378	H268-S272 WeakPolarHBondContact O-CB 3.46Å; H268-S272 PolarHBondContact O-N 3.29Å; H268-S272 PolarHBondContact O-OG 3.36Å; T269-S272 PolarHBondContact O-OG 2.85Å; L270-S272 PolarHBondContact O-N 2.81Å; S272-R378 PolarHBondContact OG-NH1 2.93Å
273	Q	96.7	Very high	95.3	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.028	19%	0.193	C	C	.	.	H	α-helix	trans	-85.7	-37.3	175.3	-69.2	-52.5	-83.7	0	0	113	T269 L270 S271 A275 C276 L371 I375 R378	T269-Q273 HydrophobicContact CG2-CG 4.49Å; T269-Q273 VanDerWaalsContact O-CB 3.31Å; T269-Q273 WeakPolarHBondContact O-CB 3.36Å; T269-Q273 VanDerWaalsContact O-CG 3.26Å; T269-Q273 WeakPolarHBondContact O-CG 3.38Å; T269-Q273 PolarHBondContact O-N 2.96Å; T269-Q273 VanDerWaalsContact O-N 3.14Å; L270-Q273 PolarHBondContact O-N 3.4Å; S271-Q273 VanDerWaalsContact C-N 3.28Å; S271-Q273 PolarHBondContact O-N 2.79Å; Q273-A275 VanDerWaalsContact C-N 3.33Å; Q273-C276 PolarHBondContact O-N 2.92Å; Q273-L371 HydrophobicContact CB-CD1 3.61Å; Q273-L371 WeakPolarHBondContact O-CD1 3.4Å; Q273-I375 HydrophobicContact CB-CD1 4.44Å; Q273-I375 HydrophobicContact CB-CG1 3.81Å; Q273-I375 HydrophobicContact CG-CG1 3.99Å; Q273-R378 VanDerWaalsContact NE2-NH2 3.13Å
274	C	96.5	Very high	95.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-70.1	-30.6	176.3	-62.7	0	0	0	0	111.8	L270 S271 C276 S277 V280 H519	L270-C274 WeakPolarHBondContact O-CB 3.3Å; L270-C274 PolarHBondContact O-N 3.33Å; L270-C274 PolarHBondContact O-SG 2.91Å; S271-C274 PolarHBondContact O-N 3.32Å; C274-C276 PolarHBondContact O-N 3.49Å; C274-S277 CarbonylContact O-C 3.57Å; C274-S277 PolarHBondContact O-N 3.07Å; C274-V280 HydrophobicContact CB-CG1 4.23Å; C274-H519 HydrophobicContact CB-CB 4.09Å; C274-H519 VanDerWaalsContact CB-CG 3.48Å; C274-H519 WeakPolarHBondContact CB-ND1 3.32Å
275	A	94.4	Very high	95.5	Very high	57 Å²	57	30.2 Å²	30.2	47%	0.471	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.4	175.1	0	0	0	0	0	113.7	S271 Q273 S277 H519	S271-A275 WeakPolarHBondContact O-CB 3.39Å; S271-A275 PolarHBondContact O-N 2.94Å; Q273-A275 VanDerWaalsContact C-N 3.33Å; A275-S277 VanDerWaalsContact C-N 3.31Å; A275-H519 HydrophobicContact CB-CB 4.08Å
276	C	89.8	Confident	95.5	Very high	97 Å²	97	28.5 Å²	28.5	66%	0.655	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-13	174.4	-59.1	0	0	0	0	113.4	Q273 C274	Q273-C276 PolarHBondContact O-N 2.92Å; C274-C276 PolarHBondContact O-N 3.49Å
277	S	88.4	Confident	95.5	Very high	5 Å²	5	28.5 Å²	28.5	4%	0.035	16%	0.159	C	C	.	.			trans	-116.2	122.5	179.9	176.9	0	0	0	0	110.1	C274 A275 S279 V280 E367	C274-S277 CarbonylContact O-C 3.57Å; C274-S277 PolarHBondContact O-N 3.07Å; A275-S277 VanDerWaalsContact C-N 3.31Å; S277-S279 VanDerWaalsContact C-N 3.28Å; S277-S279 PolarHBondContact O-N 3.49Å; S277-S279 PolarHBondContact OG-OG 3.05Å; S277-V280 WeakPolarHBondContact OG-CG2 3.12Å; S277-E367 WeakPolarHBondContact CB-OE1 3.34Å; S277-E367 PolarHBondContact OG-OE1 2.8Å
278	K	84.5	Confident	95.3	Very high	212 Å²	212	33.2 Å²	33.2	92%	0.922	18%	0.184	S	C	*	.	S	Bend	trans	-78.2	-13.3	-178.3	-65.7	-175.8	179.9	179.8	0	113.6
279	S	90.5	Very high	95.3	Very high	16 Å²	16	29.8 Å²	29.8	11%	0.112	17%	0.17	C	C	.	.	S	Bend	trans	-96.8	-23.8	-170.4	66.9	0	0	0	0	113.4	S277 V281 T359 S360	S277-S279 VanDerWaalsContact C-N 3.28Å; S277-S279 PolarHBondContact O-N 3.49Å; S277-S279 PolarHBondContact OG-OG 3.05Å; S279-V281 PolarHBondContact O-N 2.74Å; S279-T359 VanDerWaalsContact C-OG1 3.24Å; S279-T359 WeakPolarHBondContact CB-OG1 3.48Å; S279-T359 WeakPolarHBondContact O-CA 3.41Å; S279-T359 WeakPolarHBondContact O-CB 3.44Å; S279-T359 PolarHBondContact O-OG1 3.18Å; S279-T359 PolarHBondContact OG-OG1 2.87Å; S279-T359 VanDerWaalsContact OG-OG1 3.1Å; S279-S360 PolarHBondContact O-N 3.01Å
280	V	96.5	Very high	95.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	118.9	179.9	-180	0	0	0	0	110.7	C274 S277 T297 M368 L371 H519	C274-V280 HydrophobicContact CB-CG1 4.23Å; S277-V280 WeakPolarHBondContact OG-CG2 3.12Å; V280-T297 WeakPolarHBondContact O-CG2 3.37Å; V280-M368 HydrophobicContact CG2-CE 3.52Å; V280-M368 HydrophobicContact CG2-SD 3.54Å; V280-M368 VanDerWaalsContact CG2-SD 3.54Å; V280-L371 HydrophobicContact CG2-CD2 3.65Å; V280-H519 PolarHBondContact O-NE2 2.92Å
281	V	97	Very high	95.1	Very high	13 Å²	13	31.8 Å²	31.8	8%	0.079	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-47.5	176.2	-173.1	0	0	0	0	110.6	S279 C296 T297 F334 L340 L358	S279-V281 PolarHBondContact O-N 2.74Å; V281-C296 CarbonylContact O-C 3.55Å; V281-C296 VanDerWaalsContact O-CA 3.24Å; V281-C296 WeakPolarHBondContact O-CA 3.26Å; V281-T297 PolarHBondContact O-N 3Å; V281-T297 PolarHBondContact O-OG1 3.44Å; V281-F334 HydrophobicContact CG1-CE2 4.11Å; V281-F334 HydrophobicContact CG1-CZ 3.79Å; V281-L340 HydrophobicContact CG2-CD2 4.11Å; V281-L358 PolarHBondContact N-O 2.81Å
282	F	98.1	Very high	95.1	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	142.6	-178.6	-57.8	-69.8	0	0	0	111.2	S295 C296 H300 L302 L331 F334 L340 L358	F282-S295 CarbonylContact C-O 3.43Å; F282-S295 WeakPolarHBondContact CA-O 3.37Å; F282-C296 HydrophobicContact CD1-CB 3.5Å; F282-C296 VanDerWaalsContact CD1-CB 3.5Å; F282-C296 HydrophobicContact CE1-CB 3.69Å; F282-H300 HydrophobicContact CE1-CB 4.1Å; F282-H300 HydrophobicContact CZ-CB 4.1Å; F282-L302 HydrophobicContact CD1-CB 3.98Å; F282-L302 HydrophobicContact CD2-CD1 4.47Å; F282-L302 HydrophobicContact CE1-CB 3.8Å; F282-L302 HydrophobicContact CE2-CD1 4.37Å; F282-L302 HydrophobicContact CZ-CB 4.34Å; F282-L302 HydrophobicContact CZ-CD1 4.42Å; F282-L331 HydrophobicContact CD2-CD1 3.95Å; F282-L331 HydrophobicContact CE2-CD1 3.88Å; F282-F334 HydrophobicContact CE2-CD1 4.39Å; F282-F334 AromaticContact CE2-CD2 3.71Å; F282-F334 HydrophobicContact CE2-CD2 3.71Å; F282-F334 HydrophobicContact CE2-CE1 4.45Å; F282-F334 AromaticContact CE2-CE2 3.71Å; F282-F334 HydrophobicContact CE2-CE2 3.71Å; F282-F334 HydrophobicContact CE2-CG 4.04Å; F282-F334 HydrophobicContact CE2-CZ 4.12Å; F282-F334 AromaticContact CZ-CD2 3.52Å; F282-F334 HydrophobicContact CZ-CD2 3.52Å; F282-F334 AromaticContact CZ-CE2 3.56Å; F282-F334 HydrophobicContact CZ-CE2 3.56Å; F282-F334 HydrophobicContact CZ-CG 4.25Å; F282-F334 HydrophobicContact CZ-CZ 4.38Å; F282-L340 HydrophobicContact CD2-CD1 4.1Å; F282-L340 HydrophobicContact CE2-CD1 4.26Å; F282-L358 HydrophobicContact CB-CB 4.21Å; F282-L358 HydrophobicContact CB-CD1 4.17Å; F282-L358 HydrophobicContact CD2-CB 4.49Å; F282-L358 PolarHBondContact N-O 3.18Å; F282-L358 PolarHBondContact O-N 3.47Å
283	A	98.2	Very high	95.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129.5	166.5	0	0	0	0	0	109.1	L270 M294 S295 L356 L357	L270-A283 HydrophobicContact CD1-CB 4.47Å; L270-A283 HydrophobicContact CD2-CB 4.14Å; A283-M294 CarbonylContact O-C 3.57Å; A283-M294 WeakPolarHBondContact O-CA 3.41Å; A283-M294 WeakPolarHBondContact O-CB 3.47Å; A283-S295 PolarHBondContact N-O 3.12Å; A283-S295 PolarHBondContact O-N 3.23Å; A283-L356 CarbonylContact C-O 3.54Å; A283-L356 VanDerWaalsContact CA-O 3.28Å; A283-L356 WeakPolarHBondContact CA-O 3.49Å; A283-L357 HydrophobicContact CB-CD2 3.64Å
284	V	98.3	Very high	95.1	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	133.2	-173.6	-175.7	0	0	0	0	109.1	L286 L291 M294 L302 L307 L310 L355 L356	V284-L286 HydrophobicContact CG1-CD2 3.71Å; V284-L286 HydrophobicContact CG1-CG 3.91Å; V284-L291 HydrophobicContact CG1-CD1 3.57Å; V284-M294 HydrophobicContact CG2-CB 4.2Å; V284-L302 HydrophobicContact CG2-CD2 3.84Å; V284-L307 HydrophobicContact CG1-CD1 3.76Å; V284-L310 HydrophobicContact CG2-CD1 4.5Å; V284-L355 WeakPolarHBondContact O-CA 3.36Å; V284-L356 HydrophobicContact CB-CB 4.38Å; V284-L356 HydrophobicContact CB-CD1 4.3Å; V284-L356 HydrophobicContact CG1-CD1 4.49Å; V284-L356 PolarHBondContact N-O 3.31Å; V284-L356 PolarHBondContact O-N 3.15Å
285	I	98.3	Very high	95.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122	170.4	-62.5	171.5	0	0	0	109.1	F266 L270 V292 A293 L347 C354 L355 L379	F266-I285 HydrophobicContact CD1-CD1 3.64Å; F266-I285 HydrophobicContact CE1-CD1 4.26Å; L270-I285 HydrophobicContact CD1-CD1 3.93Å; L270-I285 HydrophobicContact CD1-CG1 4.03Å; L270-I285 HydrophobicContact CD2-CD1 3.81Å; L270-I285 HydrophobicContact CD2-CG1 4.14Å; L270-I285 HydrophobicContact CG-CD1 3.96Å; L270-I285 HydrophobicContact CG-CG1 4.47Å; I285-V292 HydrophobicContact CB-CB 4.17Å; I285-V292 HydrophobicContact CG2-CB 3.82Å; I285-V292 HydrophobicContact CG2-CG1 4.2Å; I285-V292 HydrophobicContact CG2-CG2 4.08Å; I285-V292 WeakPolarHBondContact O-CB 3.46Å; I285-V292 PolarHBondContact O-N 3.34Å; I285-A293 PolarHBondContact N-O 2.82Å; I285-L347 HydrophobicContact CD1-CD1 4.1Å; I285-L347 HydrophobicContact CG1-CD1 4.39Å; I285-L347 HydrophobicContact CG2-CD1 4.07Å; I285-C354 CarbonylContact C-O 3.57Å; I285-C354 VanDerWaalsContact CA-O 3.32Å; I285-C354 WeakPolarHBondContact CA-O 3.43Å; I285-L355 HydrophobicContact CD1-CD1 4.45Å; I285-L355 HydrophobicContact CG1-CD1 3.75Å; I285-L379 HydrophobicContact CD1-CD1 4.49Å
286	L	97.9	Very high	95.2	Very high	5 Å²	5	28 Å²	28	3%	0.026	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	148	179.7	-59.4	179.4	0	0	0	110.9	V284 Q290 L291 L307 I311 V314 A353 C354 L356	V284-L286 HydrophobicContact CG1-CD2 3.71Å; V284-L286 HydrophobicContact CG1-CG 3.91Å; L286-Q290 CarbonylContact C-O 3.56Å; L286-Q290 WeakPolarHBondContact CA-O 3.38Å; L286-L291 HydrophobicContact CD2-CB 4.39Å; L286-L291 HydrophobicContact CD2-CD1 3.81Å; L286-L307 HydrophobicContact CD2-CD1 4.33Å; L286-I311 HydrophobicContact CD1-CB 4.4Å; L286-I311 HydrophobicContact CD1-CG1 3.7Å; L286-I311 HydrophobicContact CD2-CD1 4.42Å; L286-I311 HydrophobicContact CD2-CG1 3.84Å; L286-I311 HydrophobicContact CG-CG1 4.42Å; L286-V314 HydrophobicContact CD1-CG2 4.32Å; L286-A353 CarbonylContact O-C 3.51Å; L286-A353 WeakPolarHBondContact O-CA 3.32Å; L286-C354 PolarHBondContact N-O 3.47Å; L286-C354 PolarHBondContact O-N 3.41Å; L286-L356 HydrophobicContact CD1-CD1 3.71Å; L286-L356 HydrophobicContact CG-CD1 3.94Å
287	V	96.6	Very high	95.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	122.8	169.9	170.3	0	0	0	0	107.9	D289 Q290 V292 P352 A353 L388 L392	V287-D289 VanDerWaalsContact C-N 3.33Å; V287-D289 PolarHBondContact O-N 2.74Å; V287-Q290 PolarHBondContact N-O 2.87Å; V287-Q290 WeakPolarHBondContact O-CA 3.46Å; V287-Q290 VanDerWaalsContact O-CB 3.32Å; V287-Q290 WeakPolarHBondContact O-CB 3.47Å; V287-Q290 PolarHBondContact O-N 3.47Å; V287-V292 HydrophobicContact CB-CG2 4.02Å; V287-V292 HydrophobicContact CG2-CG2 3.57Å; V287-P352 HydrophobicContact CG1-CB 4.05Å; V287-P352 HydrophobicContact CG1-CG 3.76Å; V287-A353 HydrophobicContact CG2-CB 3.76Å; V287-L388 HydrophobicContact CG2-CD2 4.08Å; V287-L392 HydrophobicContact CG1-CD1 3.86Å; V287-L392 HydrophobicContact CG1-CD2 3.61Å; V287-L392 HydrophobicContact CG1-CG 4.37Å
288	N	94	Very high	95.4	Very high	113 Å²	113	31.9 Å²	31.9	60%	0.604	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.6	53.3	173.7	-59.1	-23.8	0	0	0	113.4	Q290	N288-Q290 PolarHBondContact O-N 3.18Å; N288-Q290 VanDerWaalsContact O-N 3.15Å
289	D	95.5	Very high	95.6	Very high	45 Å²	45	28.9 Å²	28.9	24%	0.241	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	3.3	-177.1	-55.1	-29.7	0	0	0	116.7	R237 V287 I311	R237-D289 IonicContact CZ-OD1 2.7Å; R237-D289 IonicContact NH2-OD1 3.93Å; R237-D289 PolarHBondContact NH2-OD1 3.38Å; R237-D289 IonicContact NH2-OD2 2.76Å; R237-D289 PolarHBondContact NH2-OD2 3.02Å; V287-D289 VanDerWaalsContact C-N 3.33Å; V287-D289 PolarHBondContact O-N 2.74Å; D289-I311 HydrophobicContact CB-CG2 3.71Å; D289-I311 WeakPolarHBondContact OD1-CG2 3.4Å
290	Q	95.8	Very high	95.7	Very high	46 Å²	46	32 Å²	32	22%	0.215	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	144.2	178.4	-50.3	-171.2	-65.4	0	0	111.6	S254 L256 L286 V287 N288	S254-Q290 CarbonylContact O-C 3.55Å; S254-Q290 VanDerWaalsContact O-CA 3.29Å; S254-Q290 WeakPolarHBondContact O-CA 3.36Å; S254-Q290 PolarHBondContact OG-NE2 3.2Å; L256-Q290 HydrophobicContact CB-CB 4.08Å; L256-Q290 VanDerWaalsContact CD1-OE1 3.23Å; L286-Q290 CarbonylContact C-O 3.56Å; L286-Q290 WeakPolarHBondContact CA-O 3.38Å; V287-Q290 PolarHBondContact N-O 2.87Å; V287-Q290 WeakPolarHBondContact O-CA 3.46Å; V287-Q290 VanDerWaalsContact O-CB 3.32Å; V287-Q290 WeakPolarHBondContact O-CB 3.47Å; V287-Q290 PolarHBondContact O-N 3.47Å; N288-Q290 PolarHBondContact O-N 3.18Å; N288-Q290 VanDerWaalsContact O-N 3.15Å
291	L	96.8	Very high	95.5	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	126.2	175.3	-177.1	67.1	0	0	0	110.9	I253 S254 C255 L256 V284 L286 M294 L307 L514	I253-L291 HydrophobicContact CG2-CB 3.77Å; I253-L291 HydrophobicContact CG2-CD2 4.1Å; S254-L291 PolarHBondContact O-N 2.93Å; C255-L291 WeakPolarHBondContact CA-O 3.45Å; L256-L291 PolarHBondContact N-O 3.14Å; V284-L291 HydrophobicContact CG1-CD1 3.57Å; L286-L291 HydrophobicContact CD2-CB 4.39Å; L286-L291 HydrophobicContact CD2-CD1 3.81Å; L291-M294 HydrophobicContact CD1-CB 4.36Å; L291-M294 HydrophobicContact CD2-CG 4.39Å; L291-M294 HydrophobicContact CD2-SD 3.9Å; L291-L307 HydrophobicContact CD1-CD2 4.22Å; L291-L307 HydrophobicContact CD2-CD2 3.76Å; L291-L307 HydrophobicContact CG-CD2 4.4Å; L291-L514 HydrophobicContact CD2-CD1 3.48Å; L291-L514 VanDerWaalsContact CD2-CD1 3.48Å; L291-L514 HydrophobicContact CD2-CD2 3.31Å; L291-L514 HydrophobicContact CD2-CG 3.98Å; L291-L514 HydrophobicContact CG-CD1 3.73Å; L291-L514 HydrophobicContact CG-CD2 4.45Å
292	V	96.9	Very high	95.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-59.3	174.1	178.6	0	0	0	0	109.7	L256 M258 R263 F266 I285 V287 L388	L256-V292 HydrophobicContact CD2-CG2 4.14Å; M258-V292 HydrophobicContact CE-CB 4.3Å; M258-V292 HydrophobicContact CE-CG1 3.46Å; M258-V292 VanDerWaalsContact CE-CG1 3.46Å; M258-V292 WeakPolarHBondContact CE-O 3.41Å; M258-V292 HydrophobicContact SD-CG1 4.21Å; R263-V292 PolarHBondContact NH1-O 3.13Å; F266-V292 HydrophobicContact CD1-CG1 4.3Å; F266-V292 HydrophobicContact CD2-CG1 4.02Å; F266-V292 HydrophobicContact CE2-CG1 4.28Å; F266-V292 HydrophobicContact CG-CG1 4.06Å; I285-V292 HydrophobicContact CB-CB 4.17Å; I285-V292 HydrophobicContact CG2-CB 3.82Å; I285-V292 HydrophobicContact CG2-CG1 4.2Å; I285-V292 HydrophobicContact CG2-CG2 4.08Å; I285-V292 WeakPolarHBondContact O-CB 3.46Å; I285-V292 PolarHBondContact O-N 3.34Å; V287-V292 HydrophobicContact CB-CG2 4.02Å; V287-V292 HydrophobicContact CG2-CG2 3.57Å; V292-L388 HydrophobicContact CG1-CD1 4.27Å; V292-L388 HydrophobicContact CG2-CD1 4.29Å
293	A	96.9	Very high	95.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	157.8	-178.5	0	0	0	0	0	110.6	F266 L270 I285	F266-A293 HydrophobicContact CB-CB 3.61Å; L270-A293 HydrophobicContact CD1-CB 4.13Å; I285-A293 PolarHBondContact N-O 2.82Å
294	M	96.8	Very high	95	Very high	20 Å²	20	40 Å²	40	10%	0.099	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	155	171.2	63.6	-174.2	-165.4	0	0	112.3	A283 V284 L291 L514 V516 G517	A283-M294 CarbonylContact O-C 3.57Å; A283-M294 WeakPolarHBondContact O-CA 3.41Å; A283-M294 WeakPolarHBondContact O-CB 3.47Å; V284-M294 HydrophobicContact CG2-CB 4.2Å; L291-M294 HydrophobicContact CD1-CB 4.36Å; L291-M294 HydrophobicContact CD2-CG 4.39Å; L291-M294 HydrophobicContact CD2-SD 3.9Å; M294-L514 HydrophobicContact CE-CD2 3.79Å; M294-L514 HydrophobicContact CG-CD2 4.19Å; M294-L514 HydrophobicContact SD-CD2 4.22Å; M294-V516 HydrophobicContact CE-CB 4.42Å; M294-V516 HydrophobicContact CE-CG1 4.32Å; M294-V516 HydrophobicContact CE-CG2 3.3Å; M294-V516 HydrophobicContact CG-CG1 4.22Å; M294-V516 HydrophobicContact CG-CG2 4.31Å; M294-G517 PolarHBondContact O-N 3.36Å
295	S	96.5	Very high	94.9	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.014	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	154.6	168.5	76.5	0	0	0	0	111.9	F282 A283 G517 H519	F282-S295 CarbonylContact C-O 3.43Å; F282-S295 WeakPolarHBondContact CA-O 3.37Å; A283-S295 PolarHBondContact N-O 3.12Å; A283-S295 PolarHBondContact O-N 3.23Å; S295-G517 CarbonylContact C-O 3.54Å; S295-G517 WeakPolarHBondContact CA-O 3.45Å; S295-G517 VanDerWaalsContact CB-O 3.24Å; S295-G517 WeakPolarHBondContact CB-O 3.43Å; S295-H519 PolarHBondContact OG-ND1 3.5Å
296	C	95.9	Very high	94.9	Very high	10 Å²	10	40.8 Å²	40.8	7%	0.068	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	157.2	177.4	66.7	0	0	0	0	111.4	V281 F282 H300 V516 G517 V518 H519	V281-C296 CarbonylContact O-C 3.55Å; V281-C296 VanDerWaalsContact O-CA 3.24Å; V281-C296 WeakPolarHBondContact O-CA 3.26Å; F282-C296 HydrophobicContact CD1-CB 3.5Å; F282-C296 VanDerWaalsContact CD1-CB 3.5Å; F282-C296 HydrophobicContact CE1-CB 3.69Å; C296-H300 PolarHBondContact SG-O 3.35Å; C296-V516 HydrophobicContact CB-CG1 4.41Å; C296-V516 VanDerWaalsContact SG-CG1 3.56Å; C296-G517 PolarHBondContact N-O 3.05Å; C296-V518 WeakPolarHBondContact O-CA 3.4Å; C296-H519 PolarHBondContact O-N 2.97Å; C296-H519 PolarHBondContact O-ND1 3.04Å
297	T	94.3	Very high	94.8	Very high	29 Å²	29	40.7 Å²	40.7	18%	0.178	22%	0.216	C	C	.	.			trans	-62	150.8	168.8	35.6	0	0	0	0	111.1	V280 V281 N299 H300 H519	V280-T297 WeakPolarHBondContact O-CG2 3.37Å; V281-T297 PolarHBondContact O-N 3Å; V281-T297 PolarHBondContact O-OG1 3.44Å; T297-N299 PolarHBondContact O-N 2.86Å; T297-H300 PolarHBondContact O-N 3.33Å; T297-H300 VanDerWaalsContact O-N 3.15Å; T297-H300 PolarHBondContact OG1-CD2 3.2Å; T297-H519 WeakPolarHBondContact CA-O 3.34Å
298	K	89	Confident	94.9	Very high	155 Å²	155	41 Å²	41	67%	0.674	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.1	137.8	175.8	-168.2	176.5	-179.9	179.2	0	111.4	H300 V518 H519	K298-H300 VanDerWaalsContact C-N 3.26Å; K298-H300 PolarHBondContact O-N 3.16Å; K298-V518 HydrophobicContact CB-CG1 3.91Å; K298-V518 HydrophobicContact CG-CG1 4.34Å; K298-H519 PolarHBondContact N-O 2.92Å
299	N	87.6	Confident	95	Very high	149 Å²	149	36 Å²	36	80%	0.797	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	-0.7	-178.4	-48.4	-38.2	0	0	0	116.5	T297	T297-N299 PolarHBondContact O-N 2.86Å
300	H	92.5	Very high	95.1	Very high	81 Å²	81	33.8 Å²	33.8	38%	0.375	18%	0.179	S	C	.	.			trans	-100.4	146.2	173.2	-65.2	-67.9	0	0	0	110.8	F282 C296 T297 K298 F334	F282-H300 HydrophobicContact CE1-CB 4.1Å; F282-H300 HydrophobicContact CZ-CB 4.1Å; C296-H300 PolarHBondContact SG-O 3.35Å; T297-H300 PolarHBondContact O-N 3.33Å; T297-H300 VanDerWaalsContact O-N 3.15Å; T297-H300 PolarHBondContact OG1-CD2 3.2Å; K298-H300 VanDerWaalsContact C-N 3.26Å; K298-H300 PolarHBondContact O-N 3.16Å; H300-F334 HydrophobicContact CB-CE2 4.11Å; H300-F334 AromaticContact CE1-CE2 3.99Å; H300-F334 AromaticContact CG-CE2 3.84Å; H300-F334 AromaticContact ND1-CE2 3.25Å; H300-F334 VanDerWaalsContact ND1-CE2 3.25Å; H300-F334 WeakPolarHBondContact ND1-CE2 3.38Å; H300-F334 AromaticContact ND1-CZ 3.78Å
301	V	92.5	Very high	95.2	Very high	116 Å²	116	31.7 Å²	31.7	70%	0.703	17%	0.169	S	C	*	.			trans	-131.6	128.5	177.8	178.6	0	0	0	0	107.5
302	L	94.7	Very high	95.2	Very high	15 Å²	15	31.6 Å²	31.6	8%	0.079	17%	0.168	C	C	.	.			trans	-87.9	116.5	171.3	-173	60.6	0	0	0	108.8	F282 V284 D306 L307 L310 L331	F282-L302 HydrophobicContact CD1-CB 3.98Å; F282-L302 HydrophobicContact CD2-CD1 4.47Å; F282-L302 HydrophobicContact CE1-CB 3.8Å; F282-L302 HydrophobicContact CE2-CD1 4.37Å; F282-L302 HydrophobicContact CZ-CB 4.34Å; F282-L302 HydrophobicContact CZ-CD1 4.42Å; V284-L302 HydrophobicContact CG2-CD2 3.84Å; L302-D306 HydrophobicContact CD1-CB 3.72Å; L302-L307 HydrophobicContact CD2-CB 4.43Å; L302-L307 HydrophobicContact CD2-CD1 4.08Å; L302-L307 HydrophobicContact CG-CB 4.5Å; L302-L310 HydrophobicContact CD2-CD1 4.21Å; L302-L331 HydrophobicContact CD1-CD1 3.65Å
303	S	94.7	Very high	95.3	Very high	18 Å²	18	33 Å²	33	13%	0.126	18%	0.175	C	C	.	.			trans	-71	154.8	-178.2	75.3	0	0	0	0	111.8	S305 D306 L307 T333	S303-S305 PolarHBondContact O-N 2.72Å; S303-D306 PolarHBondContact O-N 2.78Å; S303-D306 WeakPolarHBondContact OG-CB 3.49Å; S303-D306 PolarHBondContact OG-N 2.9Å; S303-D306 PolarHBondContact OG-OD2 3.37Å; S303-L307 PolarHBondContact O-N 3.08Å; S303-T333 VanDerWaalsContact OG-CB 3.24Å; S303-T333 WeakPolarHBondContact OG-CB 3.2Å; S303-T333 PolarHBondContact OG-OG1 2.93Å; S303-T333 VanDerWaalsContact OG-OG1 3.14Å
304	P	94.6	Very high	95.3	Very high	33 Å²	33	33.4 Å²	33.4	21%	0.214	18%	0.178	C	C	.	.	H	α-helix	trans	-55.6	-38.7	172.3	-26.9	35.1	0	0	0	112.7	I253 L307 H308 C419	I253-P304 HydrophobicContact CD1-CB 4.12Å; I253-P304 HydrophobicContact CG1-CB 4.05Å; P304-L307 PolarHBondContact O-N 3.44Å; P304-H308 PolarHBondContact O-N 3.29Å; P304-H308 PolarHBondContact O-ND1 2.99Å; P304-C419 HydrophobicContact CG-CB 3.68Å
305	S	95.5	Very high	95.2	Very high	16 Å²	16	34.5 Å²	34.5	11%	0.112	19%	0.191	C	C	.	.	H	α-helix	trans	-67.1	-38.3	-179.6	-60.9	0	0	0	0	113.3	R201 S303 M309	R201-S305 PolarHBondContact NH1-OG 2.94Å; S303-S305 PolarHBondContact O-N 2.72Å; S305-M309 PolarHBondContact O-N 3.22Å
306	D	97.8	Very high	95.2	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.011	19%	0.19	C	C	.	.	H	α-helix	trans	-71.7	-35.6	175	-67.4	-13.8	0	0	0	110.8	L302 S303 M309 L310 L331 P332 T333 F334	L302-D306 HydrophobicContact CD1-CB 3.72Å; S303-D306 PolarHBondContact O-N 2.78Å; S303-D306 WeakPolarHBondContact OG-CB 3.49Å; S303-D306 PolarHBondContact OG-N 2.9Å; S303-D306 PolarHBondContact OG-OD2 3.37Å; D306-M309 WeakPolarHBondContact O-CB 3.41Å; D306-M309 PolarHBondContact O-N 3Å; D306-M309 VanDerWaalsContact O-N 3.11Å; D306-L310 PolarHBondContact O-N 3.3Å; D306-L310 VanDerWaalsContact O-N 3.14Å; D306-L331 HydrophobicContact CB-CB 4.35Å; D306-L331 HydrophobicContact CB-CD2 4.22Å; D306-P332 WeakPolarHBondContact OD1-CD 3.12Å; D306-T333 WeakPolarHBondContact OD1-CB 3.48Å; D306-T333 PolarHBondContact OD1-N 3.06Å; D306-T333 PolarHBondContact OD1-OG1 3.18Å; D306-T333 WeakPolarHBondContact OD2-CB 3.48Å; D306-T333 PolarHBondContact OD2-N 3.43Å; D306-F334 PolarHBondContact OD2-N 2.73Å
307	L	97.1	Very high	95.2	Very high	4 Å²	4	36 Å²	36	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-67.3	-37.8	174.9	-173.8	61	0	0	0	112.2	I253 V284 L286 L291 L302 S303 P304 M309 L310 I311	I253-L307 HydrophobicContact CB-CD2 4.37Å; I253-L307 HydrophobicContact CD1-CB 3.9Å; I253-L307 HydrophobicContact CD1-CD2 3.7Å; I253-L307 HydrophobicContact CD1-CG 3.93Å; I253-L307 HydrophobicContact CG1-CD2 3.82Å; I253-L307 HydrophobicContact CG2-CD2 3.69Å; V284-L307 HydrophobicContact CG1-CD1 3.76Å; L286-L307 HydrophobicContact CD2-CD1 4.33Å; L291-L307 HydrophobicContact CD1-CD2 4.22Å; L291-L307 HydrophobicContact CD2-CD2 3.76Å; L291-L307 HydrophobicContact CG-CD2 4.4Å; L302-L307 HydrophobicContact CD2-CB 4.43Å; L302-L307 HydrophobicContact CD2-CD1 4.08Å; L302-L307 HydrophobicContact CG-CB 4.5Å; S303-L307 PolarHBondContact O-N 3.08Å; P304-L307 PolarHBondContact O-N 3.44Å; L307-M309 PolarHBondContact O-N 3.31Å; L307-L310 HydrophobicContact CD1-CD1 4.45Å; L307-L310 PolarHBondContact O-N 2.86Å; L307-I311 HydrophobicContact CG-CD1 4.03Å; L307-I311 WeakPolarHBondContact O-CG1 3.49Å; L307-I311 PolarHBondContact O-N 3.18Å
308	H	97.3	Very high	95.1	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.023	21%	0.21	C	C	.	.	H	α-helix	trans	-55.7	-37	169.7	-66.2	150	0	0	0	111.3	W241 L248 A252 I253 P304 N312	W241-H308 HydrophobicContact CH2-CB 3.93Å; W241-H308 AromaticContact CH2-CD2 3.67Å; W241-H308 HydrophobicContact CZ3-CB 3.85Å; W241-H308 WeakPolarHBondContact CZ3-O 3.35Å; L248-H308 HydrophobicContact CD2-CB 3.99Å; A252-H308 PolarHBondContact O-NE2 2.84Å; I253-H308 VanDerWaalsContact CD1-CD2 3.46Å; I253-H308 WeakPolarHBondContact CD1-CD2 3.42Å; I253-H308 WeakPolarHBondContact CD1-NE2 3.5Å; P304-H308 PolarHBondContact O-N 3.29Å; P304-H308 PolarHBondContact O-ND1 2.99Å; H308-N312 VanDerWaalsContact O-CB 3.28Å; H308-N312 WeakPolarHBondContact O-CB 3.44Å; H308-N312 PolarHBondContact O-N 3.16Å
309	M	96.5	Very high	95.3	Very high	8 Å²	8	33.8 Å²	33.8	4%	0.039	20%	0.201	C	C	.	.	H	α-helix	trans	-65.4	-45.2	177.5	-159.7	55.8	66.6	0	0	112.5	R201 Y202 S305 D306 L307 N312 L313	R201-M309 HydrophobicContact CB-CE 3.99Å; Y202-M309 VanDerWaalsContact CB-SD 3.54Å; Y202-M309 HydrophobicContact CD2-CE 4.42Å; Y202-M309 HydrophobicContact CD2-CG 4.3Å; Y202-M309 HydrophobicContact CD2-SD 3.27Å; Y202-M309 WeakPolarHBondContact CD2-SD 3.44Å; Y202-M309 HydrophobicContact CE2-SD 4.31Å; Y202-M309 HydrophobicContact CG-CE 4.5Å; Y202-M309 HydrophobicContact CG-SD 3.8Å; S305-M309 PolarHBondContact O-N 3.22Å; D306-M309 WeakPolarHBondContact O-CB 3.41Å; D306-M309 PolarHBondContact O-N 3Å; D306-M309 VanDerWaalsContact O-N 3.11Å; L307-M309 PolarHBondContact O-N 3.31Å; M309-N312 PolarHBondContact O-N 3.37Å; M309-L313 WeakPolarHBondContact O-CB 3.31Å; M309-L313 PolarHBondContact O-N 3.27Å
310	L	97.9	Very high	95.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.9	-42.5	177.9	-64.9	178.6	0	0	0	111.9	V284 L302 D306 L307 L313 V314 I329 L331 L356 L358	V284-L310 HydrophobicContact CG2-CD1 4.5Å; L302-L310 HydrophobicContact CD2-CD1 4.21Å; D306-L310 PolarHBondContact O-N 3.3Å; D306-L310 VanDerWaalsContact O-N 3.14Å; L307-L310 HydrophobicContact CD1-CD1 4.45Å; L307-L310 PolarHBondContact O-N 2.86Å; L310-L313 PolarHBondContact O-N 3.12Å; L310-V314 WeakPolarHBondContact O-CG2 2.93Å; L310-V314 PolarHBondContact O-N 3.27Å; L310-I329 HydrophobicContact CD2-CD1 4.14Å; L310-I329 HydrophobicContact CD2-CG2 4.36Å; L310-L331 HydrophobicContact CD1-CD2 4.47Å; L310-L331 HydrophobicContact CD2-CD2 4.07Å; L310-L331 HydrophobicContact CG-CD2 4.24Å; L310-L356 HydrophobicContact CB-CD2 4.04Å; L310-L356 HydrophobicContact CD1-CD2 4.47Å; L310-L356 HydrophobicContact CD2-CD2 3.96Å; L310-L356 HydrophobicContact CG-CD2 4.38Å; L310-L358 HydrophobicContact CD1-CD1 4.23Å; L310-L358 HydrophobicContact CD1-CD2 4.4Å; L310-L358 HydrophobicContact CD2-CD2 4.31Å
311	I	97.9	Very high	95.7	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-59.3	-48.7	174	-70.9	163	0	0	0	110.5	R237 W241 L286 D289 L307 L313 V314 A315	R237-I311 PolarHBondContact NH1-O 2.98Å; W241-I311 HydrophobicContact CH2-CB 4.08Å; W241-I311 HydrophobicContact CH2-CD1 4.48Å; W241-I311 HydrophobicContact CH2-CG2 3.72Å; W241-I311 HydrophobicContact CZ2-CG2 3.76Å; W241-I311 HydrophobicContact CZ3-CG2 4.41Å; L286-I311 HydrophobicContact CD1-CB 4.4Å; L286-I311 HydrophobicContact CD1-CG1 3.7Å; L286-I311 HydrophobicContact CD2-CD1 4.42Å; L286-I311 HydrophobicContact CD2-CG1 3.84Å; L286-I311 HydrophobicContact CG-CG1 4.42Å; D289-I311 HydrophobicContact CB-CG2 3.71Å; D289-I311 WeakPolarHBondContact OD1-CG2 3.4Å; L307-I311 HydrophobicContact CG-CD1 4.03Å; L307-I311 WeakPolarHBondContact O-CG1 3.49Å; L307-I311 PolarHBondContact O-N 3.18Å; I311-L313 VanDerWaalsContact C-N 3.31Å; I311-L313 PolarHBondContact O-N 2.98Å; I311-V314 PolarHBondContact O-N 2.85Å; I311-A315 PolarHBondContact O-N 2.61Å
312	N	97.6	Very high	95.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.7	-38.5	179.9	-171.8	56.5	0	0	0	111.8	T234 R237 L238 W241 H308 M309 S316	T234-N312 WeakPolarHBondContact CG2-ND2 3.35Å; T234-N312 PolarHBondContact O-ND2 3.04Å; R237-N312 WeakPolarHBondContact CD-OD1 3.4Å; R237-N312 PolarHBondContact NH1-O 3.21Å; L238-N312 HydrophobicContact CD1-CB 4.24Å; L238-N312 PolarHBondContact N-OD1 3.37Å; W241-N312 HydrophobicContact CE3-CB 4.25Å; W241-N312 HydrophobicContact CZ3-CB 4.2Å; H308-N312 VanDerWaalsContact O-CB 3.28Å; H308-N312 WeakPolarHBondContact O-CB 3.44Å; H308-N312 PolarHBondContact O-N 3.16Å; M309-N312 PolarHBondContact O-N 3.37Å; N312-S316 VanDerWaalsContact O-CB 3.22Å; N312-S316 WeakPolarHBondContact O-CB 3.29Å; N312-S316 PolarHBondContact O-N 2.99Å; N312-S316 VanDerWaalsContact O-N 3.13Å; N312-S316 PolarHBondContact O-OG 2.89Å
313	L	96.9	Very high	95.6	Very high	28 Å²	28	31.1 Å²	31.1	15%	0.147	19%	0.189	C	C	.	.	H	α-helix	trans	-62.4	-51.1	176.2	179.1	68.9	0	0	0	111.6	M309 L310 I311 S316 N317 F320 I329 I344	M309-L313 WeakPolarHBondContact O-CB 3.31Å; M309-L313 PolarHBondContact O-N 3.27Å; L310-L313 PolarHBondContact O-N 3.12Å; I311-L313 VanDerWaalsContact C-N 3.31Å; I311-L313 PolarHBondContact O-N 2.98Å; L313-S316 PolarHBondContact O-N 2.86Å; L313-N317 PolarHBondContact O-N 3.06Å; L313-N317 PolarHBondContact O-ND2 3.29Å; L313-F320 HydrophobicContact CG-CE2 4.15Å; L313-F320 HydrophobicContact CG-CZ 4.48Å; L313-I329 HydrophobicContact CD2-CD1 3.26Å; L313-I329 HydrophobicContact CD2-CG1 4.2Å; L313-I344 HydrophobicContact CD2-CD1 3.86Å
314	V	96.9	Very high	95.7	Very high	9 Å²	9	33.2 Å²	33.2	6%	0.055	20%	0.197	C	C	.	.	H	α-helix	trans	-60.1	-53.1	-174.6	168.9	0	0	0	0	111.6	L286 L310 I311 S316 N317 I344 C354 L356	L286-V314 HydrophobicContact CD1-CG2 4.32Å; L310-V314 WeakPolarHBondContact O-CG2 2.93Å; L310-V314 PolarHBondContact O-N 3.27Å; I311-V314 PolarHBondContact O-N 2.85Å; V314-S316 VanDerWaalsContact C-N 3.29Å; V314-S316 PolarHBondContact O-N 3.14Å; V314-N317 CarbonylContact O-C 3.58Å; V314-N317 PolarHBondContact O-N 3.25Å; V314-N317 VanDerWaalsContact O-N 3.16Å; V314-I344 HydrophobicContact CG2-CG2 4.23Å; V314-C354 HydrophobicContact CG1-CB 3.91Å; V314-L356 HydrophobicContact CG2-CD1 4.04Å; V314-L356 HydrophobicContact CG2-CD2 3.86Å; V314-L356 HydrophobicContact CG2-CG 4.21Å
315	A	96.3	Very high	95.8	Very high	44 Å²	44	32.7 Å²	32.7	36%	0.364	19%	0.194	S	C	.	.	H	α-helix	trans	-82.7	-2.7	-177	0	0	0	0	0	114.3	I311 N317	I311-A315 PolarHBondContact O-N 2.61Å; A315-N317 VanDerWaalsContact C-N 3.34Å
316	S	96.3	Very high	95.9	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	20%	0.202	C	C	.	.	H	α-helix	trans	-80.1	-17.6	163.8	-61.7	0	0	0	0	112.9	R233 T234 R237 N312 L313 V314 P318	R233-S316 WeakPolarHBondContact CD-O 3.36Å; R233-S316 PolarHBondContact NE-O 3.33Å; T234-S316 WeakPolarHBondContact CA-OG 3.49Å; T234-S316 WeakPolarHBondContact OG1-CB 3.33Å; R237-S316 WeakPolarHBondContact CB-OG 3.45Å; R237-S316 WeakPolarHBondContact CD-OG 3.47Å; R237-S316 VanDerWaalsContact NH1-N 3.18Å; N312-S316 VanDerWaalsContact O-CB 3.22Å; N312-S316 WeakPolarHBondContact O-CB 3.29Å; N312-S316 PolarHBondContact O-N 2.99Å; N312-S316 VanDerWaalsContact O-N 3.13Å; N312-S316 PolarHBondContact O-OG 2.89Å; L313-S316 PolarHBondContact O-N 2.86Å; V314-S316 VanDerWaalsContact C-N 3.29Å; V314-S316 PolarHBondContact O-N 3.14Å; S316-P318 WeakPolarHBondContact O-CD 3.46Å
317	N	95.2	Very high	95.8	Very high	41 Å²	41	37.5 Å²	37.5	22%	0.219	22%	0.216	C	C	.	.			trans	-123.8	78.5	-171.8	-67.4	-79.1	0	0	0	111.3	L313 V314 A315 S319 F320	L313-N317 PolarHBondContact O-N 3.06Å; L313-N317 PolarHBondContact O-ND2 3.29Å; V314-N317 CarbonylContact O-C 3.58Å; V314-N317 PolarHBondContact O-N 3.25Å; V314-N317 VanDerWaalsContact O-N 3.16Å; A315-N317 VanDerWaalsContact C-N 3.34Å; N317-S319 PolarHBondContact O-N 3.3Å; N317-S319 VanDerWaalsContact O-N 3.1Å; N317-F320 HydrophobicContact CB-CD1 4.19Å; N317-F320 HydrophobicContact CB-CD2 3.7Å; N317-F320 HydrophobicContact CB-CE1 4.01Å; N317-F320 HydrophobicContact CB-CE2 3.49Å; N317-F320 VanDerWaalsContact CB-CE2 3.49Å; N317-F320 HydrophobicContact CB-CG 4.07Å; N317-F320 HydrophobicContact CB-CZ 3.66Å; N317-F320 WeakPolarHBondContact O-CB 3.4Å; N317-F320 WeakPolarHBondContact O-CG 3.42Å; N317-F320 PolarHBondContact O-N 2.87Å; N317-F320 VanDerWaalsContact O-N 3.1Å
318	P	92.2	Very high	95.8	Very high	67 Å²	67	41.5 Å²	41.5	44%	0.435	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-57.6	-25.2	178.5	-25.2	34.3	0	0	0	114.2	S316 F320 K321	S316-P318 WeakPolarHBondContact O-CD 3.46Å; P318-F320 PolarHBondContact O-N 3.18Å; P318-F320 VanDerWaalsContact O-N 3.09Å; P318-K321 WeakPolarHBondContact O-CB 3.46Å; P318-K321 PolarHBondContact O-N 3.28Å
319	S	93.2	Very high	95.8	Very high	71 Å²	71	41.7 Å²	41.7	50%	0.497	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-59.8	-18.6	177.1	55.6	0	0	0	0	113.7	N317 K321 D322	N317-S319 PolarHBondContact O-N 3.3Å; N317-S319 VanDerWaalsContact O-N 3.1Å; S319-K321 PolarHBondContact O-N 3Å; S319-D322 PolarHBondContact O-N 3.44Å
320	F	94.6	Very high	95.9	Very high	16 Å²	16	41.3 Å²	41.3	7%	0.07	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-63.9	-17.2	173.1	-65.9	-18.3	0	0	0	113.4	L313 N317 P318 A323 S325 I344 Y346	L313-F320 HydrophobicContact CG-CE2 4.15Å; L313-F320 HydrophobicContact CG-CZ 4.48Å; N317-F320 HydrophobicContact CB-CD1 4.19Å; N317-F320 HydrophobicContact CB-CD2 3.7Å; N317-F320 HydrophobicContact CB-CE1 4.01Å; N317-F320 HydrophobicContact CB-CE2 3.49Å; N317-F320 VanDerWaalsContact CB-CE2 3.49Å; N317-F320 HydrophobicContact CB-CG 4.07Å; N317-F320 HydrophobicContact CB-CZ 3.66Å; N317-F320 WeakPolarHBondContact O-CB 3.4Å; N317-F320 WeakPolarHBondContact O-CG 3.42Å; N317-F320 PolarHBondContact O-N 2.87Å; N317-F320 VanDerWaalsContact O-N 3.1Å; P318-F320 PolarHBondContact O-N 3.18Å; P318-F320 VanDerWaalsContact O-N 3.09Å; F320-A323 VanDerWaalsContact O-O 3.13Å; F320-S325 WeakPolarHBondContact CD1-OG 3.24Å; F320-S325 WeakPolarHBondContact CE1-OG 3.49Å; F320-I344 HydrophobicContact CB-CG2 4.24Å; F320-I344 HydrophobicContact CD2-CB 4.49Å; F320-I344 HydrophobicContact CD2-CD1 4.38Å; F320-I344 HydrophobicContact CD2-CG2 3.65Å; F320-I344 HydrophobicContact CE2-CD1 3.71Å; F320-I344 HydrophobicContact CE2-CG2 4.07Å; F320-I344 HydrophobicContact CG-CG2 3.97Å; F320-I344 HydrophobicContact CZ-CD1 3.82Å; F320-Y346 HydrophobicContact CB-CE2 4.05Å; F320-Y346 VanDerWaalsContact O-CD2 3.31Å; F320-Y346 WeakPolarHBondContact O-CD2 3.29Å
321	K	93	Very high	95.9	Very high	90 Å²	90	41.3 Å²	41.3	39%	0.391	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-70.6	-32.9	176.9	-167	173.3	179.8	-179.1	0	112.5	P318 S319 Y346 D349	P318-K321 WeakPolarHBondContact O-CB 3.46Å; P318-K321 PolarHBondContact O-N 3.28Å; S319-K321 PolarHBondContact O-N 3Å; K321-Y346 HydrophobicContact CB-CD2 4.19Å; K321-Y346 HydrophobicContact CB-CE2 4.12Å; K321-Y346 HydrophobicContact CG-CD2 4.44Å; K321-Y346 HydrophobicContact CG-CG 4.36Å; K321-D349 WeakPolarHBondContact CE-O 3.19Å; K321-D349 PolarHBondContact NZ-O 3.49Å
322	D	92	Very high	95.9	Very high	143 Å²	143	42.1 Å²	42.1	77%	0.765	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-10.2	-169.8	-53.5	-46.7	0	0	0	113.6	S319	S319-D322 PolarHBondContact O-N 3.44Å
323	A	93.3	Very high	95.8	Very high	57 Å²	57	45.5 Å²	45.5	47%	0.471	27%	0.268	S	S	.	.	S	Bend	trans	-156.5	161	-174.6	0	0	0	0	0	113.5	F320 S325	F320-A323 VanDerWaalsContact O-O 3.13Å; A323-S325 PolarHBondContact O-N 3.35Å
324	E	96.8	Very high	95.8	Very high	62 Å²	62	47 Å²	47	29%	0.29	27%	0.273	S	S	.	.			trans	-74	122.6	164.8	-65.3	-177.5	-143.3	0	0	109.7	H343 F365 S369 R372	E324-H343 IonicContact OE2-CD2 3.31Å; E324-H343 IonicContact OE2-CE1 2.78Å; E324-H343 IonicContact OE2-NE2 3.67Å; E324-H343 PolarHBondContact OE2-NE2 3.18Å; E324-F365 HydrophobicContact CB-CE2 4.35Å; E324-F365 HydrophobicContact CB-CZ 4.31Å; E324-S369 PolarHBondContact OE1-OG 3.18Å; E324-S369 WeakPolarHBondContact OE2-CB 3.49Å; E324-S369 PolarHBondContact OE2-OG 3.12Å; E324-R372 IonicContact OE1-CZ 2.92Å; E324-R372 IonicContact OE1-NH1 2.94Å; E324-R372 PolarHBondContact OE1-NH1 3.47Å
325	S	97.1	Very high	95.8	Very high	22 Å²	22	49.3 Å²	49.3	15%	0.154	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	141.4	178.6	-63.2	0	0	0	0	111	F320 A323 H343 I344	F320-S325 WeakPolarHBondContact CD1-OG 3.24Å; F320-S325 WeakPolarHBondContact CE1-OG 3.49Å; A323-S325 PolarHBondContact O-N 3.35Å; S325-H343 WeakPolarHBondContact O-CA 3.28Å; S325-I344 PolarHBondContact N-O 2.93Å; S325-I344 PolarHBondContact O-N 3.09Å
326	W	97.5	Very high	95.9	Very high	75 Å²	75	50.6 Å²	50.6	28%	0.284	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	112.5	177.4	-171.8	-116.6	0	0	0	108.9	A342 H343 T359 K362 F365 M368	W326-A342 WeakPolarHBondContact CA-O 3.39Å; W326-H343 HydrophobicContact CE3-CB 3.74Å; W326-H343 HydrophobicContact CZ3-CB 3.69Å; W326-T359 HydrophobicContact CH2-CG2 3.57Å; W326-T359 HydrophobicContact CZ3-CG2 4.2Å; W326-K362 WeakPolarHBondContact CZ2-O 3.25Å; W326-K362 PolarHBondContact NE1-O 3.13Å; W326-F365 HydrophobicContact CB-CD2 3.66Å; W326-F365 HydrophobicContact CB-CE2 4.02Å; W326-F365 HydrophobicContact CD2-CB 4.06Å; W326-F365 AromaticContact CD2-CD2 3.83Å; W326-F365 HydrophobicContact CD2-CD2 3.83Å; W326-F365 HydrophobicContact CD2-CG 4.45Å; W326-F365 HydrophobicContact CE3-CB 4.46Å; W326-F365 AromaticContact CE3-CD2 3.97Å; W326-F365 HydrophobicContact CE3-CD2 3.97Å; W326-F365 HydrophobicContact CG-CB 4.37Å; W326-F365 AromaticContact CG-CD2 3.75Å; W326-F365 HydrophobicContact CG-CD2 3.75Å; W326-F365 HydrophobicContact CG-CG 4.46Å; W326-F365 HydrophobicContact CZ2-CB 4.28Å; W326-M368 HydrophobicContact CH2-CG 4.1Å; W326-M368 HydrophobicContact CZ3-CB 4.31Å; W326-M368 HydrophobicContact CZ3-CG 3.86Å
327	S	95.3	Very high	96	Very high	43 Å²	43	53.9 Å²	53.9	30%	0.301	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	140.9	-173.7	-58.8	0	0	0	0	111.7	A342	S327-A342 PolarHBondContact N-O 2.67Å; S327-A342 PolarHBondContact O-N 3.48Å
328	P	97.1	Very high	96	Very high	88 Å²	88	53.9 Å²	53.9	57%	0.571	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	135.2	170.8	30.6	-33.3	0	0	0	110	F339 L340	P328-F339 HydrophobicContact CB-CB 4.17Å; P328-F339 HydrophobicContact CB-CD1 3.84Å; P328-F339 HydrophobicContact CB-CE1 4.42Å; P328-F339 HydrophobicContact CB-CG 4.04Å; P328-L340 CarbonylContact C-O 3.55Å; P328-L340 WeakPolarHBondContact CA-O 3.42Å
329	I	97.4	Very high	96.3	Very high	9 Å²	9	53.4 Å²	53.4	5%	0.046	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	126.2	176.8	-58.7	179.4	0	0	0	108.9	L310 L313 L331 L340 A342 I344	L310-I329 HydrophobicContact CD2-CD1 4.14Å; L310-I329 HydrophobicContact CD2-CG2 4.36Å; L313-I329 HydrophobicContact CD2-CD1 3.26Å; L313-I329 HydrophobicContact CD2-CG1 4.2Å; I329-L331 HydrophobicContact CG2-CD2 4Å; I329-L340 PolarHBondContact N-O 3.24Å; I329-L340 PolarHBondContact O-N 3.25Å; I329-A342 HydrophobicContact CB-CB 4.5Å; I329-A342 HydrophobicContact CD1-CB 3.37Å; I329-A342 HydrophobicContact CG1-CB 3.9Å; I329-I344 HydrophobicContact CD1-CD1 4.32Å
330	C	98.3	Very high	96.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	134.8	167.7	171.4	0	0	0	0	108.6	S205 T208 P332 D335 S338 F339	S205-C330 VanDerWaalsContact CA-O 3.3Å; S205-C330 WeakPolarHBondContact CA-O 3.49Å; S205-C330 VanDerWaalsContact CB-O 3.29Å; S205-C330 WeakPolarHBondContact CB-O 3.34Å; S205-C330 WeakPolarHBondContact O-CB 3.45Å; S205-C330 PolarHBondContact O-N 2.89Å; S205-C330 PolarHBondContact OG-O 3.47Å; T208-C330 HydrophobicContact CG2-CB 3.79Å; C330-P332 WeakPolarHBondContact O-CD 3.22Å; C330-D335 PolarHBondContact SG-O 3.3Å; C330-S338 WeakPolarHBondContact CA-O 3.44Å; C330-S338 WeakPolarHBondContact CB-O 3.39Å; C330-S338 PolarHBondContact SG-O 2.84Å; C330-S338 VanDerWaalsContact SG-O 3.38Å; C330-F339 HydrophobicContact CB-CD1 3.91Å; C330-F339 HydrophobicContact CB-CE1 3.97Å
331	L	98.2	Very high	96.7	Very high	1 Å²	1	50 Å²	50	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	98.6	174.7	-67.3	-172.5	0	0	0	108.1	F282 L302 D306 L310 I329 T333 F334 D335 L340 L358	F282-L331 HydrophobicContact CD2-CD1 3.95Å; F282-L331 HydrophobicContact CE2-CD1 3.88Å; L302-L331 HydrophobicContact CD1-CD1 3.65Å; D306-L331 HydrophobicContact CB-CB 4.35Å; D306-L331 HydrophobicContact CB-CD2 4.22Å; L310-L331 HydrophobicContact CD1-CD2 4.47Å; L310-L331 HydrophobicContact CD2-CD2 4.07Å; L310-L331 HydrophobicContact CG-CD2 4.24Å; I329-L331 HydrophobicContact CG2-CD2 4Å; L331-T333 VanDerWaalsContact C-N 3.3Å; L331-T333 PolarHBondContact O-N 3.42Å; L331-T333 VanDerWaalsContact O-N 3.16Å; L331-F334 HydrophobicContact CB-CB 3.78Å; L331-F334 HydrophobicContact CD1-CB 4.49Å; L331-F334 WeakPolarHBondContact O-CB 3.36Å; L331-F334 PolarHBondContact O-N 3.49Å; L331-F334 VanDerWaalsContact O-N 3.07Å; L331-D335 CarbonylContact O-C 3.45Å; L331-D335 PolarHBondContact O-N 3.47Å; L331-L340 HydrophobicContact CD1-CD1 4.02Å; L331-L340 HydrophobicContact CG-CD1 4.44Å; L331-L358 HydrophobicContact CD1-CD2 3.76Å; L331-L358 HydrophobicContact CD2-CD2 4.29Å; L331-L358 HydrophobicContact CG-CD2 4.17Å
332	P	97.6	Very high	97	Very high	17 Å²	17	45.8 Å²	45.8	11%	0.11	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-32.3	-164.1	-26.3	34.8	0	0	0	115.3	R201 V204 D306 C330 E336	R201-P332 HydrophobicContact CB-CG 4.13Å; R201-P332 HydrophobicContact CG-CB 4.26Å; R201-P332 HydrophobicContact CG-CG 4.41Å; R201-P332 VanDerWaalsContact O-CG 3.32Å; R201-P332 WeakPolarHBondContact O-CG 3.16Å; V204-P332 HydrophobicContact CB-CG 4.2Å; V204-P332 HydrophobicContact CG1-CB 4.06Å; V204-P332 HydrophobicContact CG1-CG 3.94Å; D306-P332 WeakPolarHBondContact OD1-CD 3.12Å; C330-P332 WeakPolarHBondContact O-CD 3.22Å; P332-E336 HydrophobicContact CB-CB 4.45Å; P332-E336 PolarHBondContact O-N 3.24Å
333	T	96.8	Very high	97.3	Very high	72 Å²	72	39 Å²	39	44%	0.442	22%	0.219	S	C	.	.	H	α-helix	trans	-80.2	-31.7	179.5	-39.6	0	0	0	0	111.7	S303 D306 L331	S303-T333 VanDerWaalsContact OG-CB 3.24Å; S303-T333 WeakPolarHBondContact OG-CB 3.2Å; S303-T333 PolarHBondContact OG-OG1 2.93Å; S303-T333 VanDerWaalsContact OG-OG1 3.14Å; D306-T333 WeakPolarHBondContact OD1-CB 3.48Å; D306-T333 PolarHBondContact OD1-N 3.06Å; D306-T333 PolarHBondContact OD1-OG1 3.18Å; D306-T333 WeakPolarHBondContact OD2-CB 3.48Å; D306-T333 PolarHBondContact OD2-N 3.43Å; L331-T333 VanDerWaalsContact C-N 3.3Å; L331-T333 PolarHBondContact O-N 3.42Å; L331-T333 VanDerWaalsContact O-N 3.16Å
334	F	97	Very high	97.5	Very high	58 Å²	58	36.2 Å²	36.2	25%	0.254	20%	0.196	S	C	.	.	H	α-helix	trans	-71.9	-55.9	174.3	174.7	-101.2	0	0	0	112.1	V281 F282 H300 D306 L331 L340	V281-F334 HydrophobicContact CG1-CE2 4.11Å; V281-F334 HydrophobicContact CG1-CZ 3.79Å; F282-F334 HydrophobicContact CE2-CD1 4.39Å; F282-F334 AromaticContact CE2-CD2 3.71Å; F282-F334 HydrophobicContact CE2-CD2 3.71Å; F282-F334 HydrophobicContact CE2-CE1 4.45Å; F282-F334 AromaticContact CE2-CE2 3.71Å; F282-F334 HydrophobicContact CE2-CE2 3.71Å; F282-F334 HydrophobicContact CE2-CG 4.04Å; F282-F334 HydrophobicContact CE2-CZ 4.12Å; F282-F334 AromaticContact CZ-CD2 3.52Å; F282-F334 HydrophobicContact CZ-CD2 3.52Å; F282-F334 AromaticContact CZ-CE2 3.56Å; F282-F334 HydrophobicContact CZ-CE2 3.56Å; F282-F334 HydrophobicContact CZ-CG 4.25Å; F282-F334 HydrophobicContact CZ-CZ 4.38Å; H300-F334 HydrophobicContact CB-CE2 4.11Å; H300-F334 AromaticContact CE1-CE2 3.99Å; H300-F334 AromaticContact CG-CE2 3.84Å; H300-F334 AromaticContact ND1-CE2 3.25Å; H300-F334 VanDerWaalsContact ND1-CE2 3.25Å; H300-F334 WeakPolarHBondContact ND1-CE2 3.38Å; H300-F334 AromaticContact ND1-CZ 3.78Å; D306-F334 PolarHBondContact OD2-N 2.73Å; L331-F334 HydrophobicContact CB-CB 3.78Å; L331-F334 HydrophobicContact CD1-CB 4.49Å; L331-F334 WeakPolarHBondContact O-CB 3.36Å; L331-F334 PolarHBondContact O-N 3.49Å; L331-F334 VanDerWaalsContact O-N 3.07Å; F334-L340 HydrophobicContact CD1-CD1 4.4Å; F334-L340 HydrophobicContact CE1-CD1 4.22Å; F334-L340 HydrophobicContact CE1-CD2 4.42Å
335	D	97.1	Very high	97.6	Very high	58 Å²	58	33.3 Å²	33.3	31%	0.31	18%	0.182	S	C	.	.	H	α-helix	trans	-161	105	173.5	-177.6	-1.6	0	0	0	109.7	C330 L331 N337 S338	C330-D335 PolarHBondContact SG-O 3.3Å; L331-D335 CarbonylContact O-C 3.45Å; L331-D335 PolarHBondContact O-N 3.47Å; D335-N337 PolarHBondContact O-N 3.17Å; D335-N337 WeakPolarHBondContact OD1-CB 3.42Å; D335-N337 PolarHBondContact OD1-N 3.37Å; D335-S338 VanDerWaalsContact OD2-CB 3.24Å; D335-S338 WeakPolarHBondContact OD2-CB 3.17Å; D335-S338 PolarHBondContact OD2-OG 3.1Å
336	E	97.7	Very high	97.6	Very high	71 Å²	71	33.8 Å²	33.8	33%	0.332	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	-8.8	178.7	60.9	166.5	-140.6	0	0	114.6	V204 T208 A209 R213 P332	V204-E336 HydrophobicContact CG1-CB 4.1Å; T208-E336 CarbonylContact C-O 3.48Å; T208-E336 WeakPolarHBondContact CA-O 3.43Å; T208-E336 WeakPolarHBondContact CB-O 3.36Å; A209-E336 HydrophobicContact CB-CB 3.99Å; A209-E336 HydrophobicContact CB-CG 4.02Å; A209-E336 PolarHBondContact N-O 3.35Å; R213-E336 IonicContact NH1-OE1 2.79Å; R213-E336 PolarHBondContact NH1-OE1 3.17Å; R213-E336 IonicContact NH2-OE1 3.73Å; P332-E336 HydrophobicContact CB-CB 4.45Å; P332-E336 PolarHBondContact O-N 3.24Å
337	N	98	Very high	97.6	Very high	70 Å²	70	30.4 Å²	30.4	37%	0.374	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-5.8	-172.9	-60.3	-62.3	0	0	0	113.8	S210 R213 D335	S210-N337 PolarHBondContact N-OD1 3.44Å; S210-N337 PolarHBondContact OG-O 2.83Å; R213-N337 PolarHBondContact NH2-OD1 3.33Å; D335-N337 PolarHBondContact O-N 3.17Å; D335-N337 WeakPolarHBondContact OD1-CB 3.42Å; D335-N337 PolarHBondContact OD1-N 3.37Å
338	S	96.8	Very high	97.4	Very high	42 Å²	42	30.3 Å²	30.3	29%	0.294	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	155.7	-177.9	74.9	0	0	0	0	113.1	C330 D335	C330-S338 WeakPolarHBondContact CA-O 3.44Å; C330-S338 WeakPolarHBondContact CB-O 3.39Å; C330-S338 PolarHBondContact SG-O 2.84Å; C330-S338 VanDerWaalsContact SG-O 3.38Å; D335-S338 VanDerWaalsContact OD2-CB 3.24Å; D335-S338 WeakPolarHBondContact OD2-CB 3.17Å; D335-S338 PolarHBondContact OD2-OG 3.1Å
339	F	97.7	Very high	97	Very high	56 Å²	56	32.3 Å²	32.3	25%	0.246	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	137	172.4	-74	-72.8	0	0	0	110	V206 T208 P328 C330	V206-F339 WeakPolarHBondContact O-CE1 3.38Å; V206-F339 VanDerWaalsContact O-CZ 3.26Å; V206-F339 WeakPolarHBondContact O-CZ 3.45Å; T208-F339 HydrophobicContact CG2-CD1 4.31Å; T208-F339 HydrophobicContact CG2-CD2 3.73Å; T208-F339 HydrophobicContact CG2-CE1 4.11Å; T208-F339 HydrophobicContact CG2-CE2 3.5Å; T208-F339 VanDerWaalsContact CG2-CE2 3.5Å; T208-F339 HydrophobicContact CG2-CG 4.14Å; T208-F339 HydrophobicContact CG2-CZ 3.7Å; P328-F339 HydrophobicContact CB-CB 4.17Å; P328-F339 HydrophobicContact CB-CD1 3.84Å; P328-F339 HydrophobicContact CB-CE1 4.42Å; P328-F339 HydrophobicContact CB-CG 4.04Å; C330-F339 HydrophobicContact CB-CD1 3.91Å; C330-F339 HydrophobicContact CB-CE1 3.97Å
340	L	97.8	Very high	96.6	Very high	8 Å²	8	39.5 Å²	39.5	4%	0.042	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	153	156	-60.7	177.4	0	0	0	108.7	V281 F282 P328 I329 L331 F334 L358 T359	V281-L340 HydrophobicContact CG2-CD2 4.11Å; F282-L340 HydrophobicContact CD2-CD1 4.1Å; F282-L340 HydrophobicContact CE2-CD1 4.26Å; P328-L340 CarbonylContact C-O 3.55Å; P328-L340 WeakPolarHBondContact CA-O 3.42Å; I329-L340 PolarHBondContact N-O 3.24Å; I329-L340 PolarHBondContact O-N 3.25Å; L331-L340 HydrophobicContact CD1-CD1 4.02Å; L331-L340 HydrophobicContact CG-CD1 4.44Å; F334-L340 HydrophobicContact CD1-CD1 4.4Å; F334-L340 HydrophobicContact CE1-CD1 4.22Å; F334-L340 HydrophobicContact CE1-CD2 4.42Å; L340-L358 HydrophobicContact CB-CB 4.4Å; L340-L358 HydrophobicContact CD1-CB 4.04Å; L340-L358 HydrophobicContact CD1-CD2 4.02Å; L340-T359 WeakPolarHBondContact CA-O 3.44Å
341	S	98.2	Very high	96.2	Very high	9 Å²	9	39.7 Å²	39.7	6%	0.063	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124.4	165.1	-72.1	0	0	0	0	109.5	L358 T359 K362	S341-L358 WeakPolarHBondContact O-CA 3.31Å; S341-T359 PolarHBondContact N-O 3.06Å; S341-T359 WeakPolarHBondContact O-CG2 3.4Å; S341-T359 PolarHBondContact O-N 3.04Å; S341-K362 WeakPolarHBondContact OG-CA 3.45Å
342	A	98.3	Very high	96	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.1	177.9	0	0	0	0	0	110.7	W326 S327 I329 I344 L357 L358	W326-A342 WeakPolarHBondContact CA-O 3.39Å; S327-A342 PolarHBondContact N-O 2.67Å; S327-A342 PolarHBondContact O-N 3.48Å; I329-A342 HydrophobicContact CB-CB 4.5Å; I329-A342 HydrophobicContact CD1-CB 3.37Å; I329-A342 HydrophobicContact CG1-CB 3.9Å; A342-I344 HydrophobicContact CB-CD1 4.49Å; A342-I344 HydrophobicContact CB-CG1 4.28Å; A342-L357 WeakPolarHBondContact CA-O 3.48Å; A342-L358 HydrophobicContact CB-CG 4.25Å
343	H	98.5	Very high	96	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	121.6	162.4	178.7	-83.2	0	0	0	108.5	E324 S325 W326 S345 L356 L357 F365 M368	E324-H343 IonicContact OE2-CD2 3.31Å; E324-H343 IonicContact OE2-CE1 2.78Å; E324-H343 IonicContact OE2-NE2 3.67Å; E324-H343 PolarHBondContact OE2-NE2 3.18Å; S325-H343 WeakPolarHBondContact O-CA 3.28Å; W326-H343 HydrophobicContact CE3-CB 3.74Å; W326-H343 HydrophobicContact CZ3-CB 3.69Å; H343-S345 PolarHBondContact CE1-OG 2.86Å; H343-S345 VanDerWaalsContact CE1-OG 3.25Å; H343-L356 CarbonylContact O-C 3.6Å; H343-L356 WeakPolarHBondContact O-CA 3.3Å; H343-L357 HydrophobicContact CB-CB 4.24Å; H343-L357 PolarHBondContact N-O 3.36Å; H343-L357 PolarHBondContact O-N 2.98Å; H343-F365 AromaticContact CD2-CE2 4Å; H343-M368 HydrophobicContact CB-CB 3.66Å; H343-M368 HydrophobicContact CB-CG 4.14Å
344	I	98.4	Very high	96.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.1	-177.1	-53.2	173.2	0	0	0	108.1	L313 V314 F320 S325 I329 A342 L355 L356	L313-I344 HydrophobicContact CD2-CD1 3.86Å; V314-I344 HydrophobicContact CG2-CG2 4.23Å; F320-I344 HydrophobicContact CB-CG2 4.24Å; F320-I344 HydrophobicContact CD2-CB 4.49Å; F320-I344 HydrophobicContact CD2-CD1 4.38Å; F320-I344 HydrophobicContact CD2-CG2 3.65Å; F320-I344 HydrophobicContact CE2-CD1 3.71Å; F320-I344 HydrophobicContact CE2-CG2 4.07Å; F320-I344 HydrophobicContact CG-CG2 3.97Å; F320-I344 HydrophobicContact CZ-CD1 3.82Å; S325-I344 PolarHBondContact N-O 2.93Å; S325-I344 PolarHBondContact O-N 3.09Å; I329-I344 HydrophobicContact CD1-CD1 4.32Å; A342-I344 HydrophobicContact CB-CD1 4.49Å; A342-I344 HydrophobicContact CB-CG1 4.28Å; I344-L355 WeakPolarHBondContact CA-O 3.37Å; I344-L356 HydrophobicContact CD1-CD2 4.42Å; I344-L356 HydrophobicContact CG1-CD2 4.23Å; I344-L356 HydrophobicContact CG1-CG 4.34Å; I344-L356 HydrophobicContact CG2-CG 4.47Å
345	S	97.9	Very high	96.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	151.5	-179.2	60.2	0	0	0	0	111.7	H343 L355 R372	H343-S345 PolarHBondContact CE1-OG 2.86Å; H343-S345 VanDerWaalsContact CE1-OG 3.25Å; S345-L355 PolarHBondContact N-O 2.84Å; S345-L355 PolarHBondContact O-N 3.47Å; S345-R372 VanDerWaalsContact OG-CD 3.25Å; S345-R372 WeakPolarHBondContact OG-CD 3.44Å; S345-R372 WeakPolarHBondContact OG-CG 3.21Å; S345-R372 PolarHBondContact OG-NE 3.05Å; S345-R372 VanDerWaalsContact OG-NE 3.13Å
346	Y	97.7	Very high	96.3	Very high	33 Å²	33	31.8 Å²	31.8	13%	0.129	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	150.7	173.8	-77.7	-110.8	0	0	0	111.5	F320 K321 P352 A353 C354 R372	F320-Y346 HydrophobicContact CB-CE2 4.05Å; F320-Y346 VanDerWaalsContact O-CD2 3.31Å; F320-Y346 WeakPolarHBondContact O-CD2 3.29Å; K321-Y346 HydrophobicContact CB-CD2 4.19Å; K321-Y346 HydrophobicContact CB-CE2 4.12Å; K321-Y346 HydrophobicContact CG-CD2 4.44Å; K321-Y346 HydrophobicContact CG-CG 4.36Å; Y346-P352 WeakPolarHBondContact CE1-O 2.98Å; Y346-A353 CarbonylContact C-O 3.46Å; Y346-A353 WeakPolarHBondContact CA-O 3.49Å; Y346-C354 HydrophobicContact CD1-CB 4.31Å; Y346-C354 HydrophobicContact CD2-CB 4.29Å; Y346-C354 HydrophobicContact CE1-CB 4.1Å; Y346-C354 HydrophobicContact CE2-CB 4.08Å; Y346-C354 HydrophobicContact CG-CB 4.42Å; Y346-R372 PolarHBondContact O-NE 2.87Å; Y346-R372 PolarHBondContact O-NH2 3.09Å
347	L	96.9	Very high	96.3	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.021	16%	0.158	C	C	.	.	S	Bend	trans	-80.4	-19.4	-178	-66.6	178.6	0	0	0	113	I285 A353 L355 I375 I376 L379 L385	I285-L347 HydrophobicContact CD1-CD1 4.1Å; I285-L347 HydrophobicContact CG1-CD1 4.39Å; I285-L347 HydrophobicContact CG2-CD1 4.07Å; L347-A353 HydrophobicContact CB-CB 4.31Å; L347-A353 HydrophobicContact CD1-CB 3.99Å; L347-A353 HydrophobicContact CG-CB 4.39Å; L347-A353 PolarHBondContact N-O 3.14Å; L347-L355 HydrophobicContact CD2-CB 3.72Å; L347-L355 HydrophobicContact CD2-CD2 4.03Å; L347-L355 HydrophobicContact CD2-CG 4.42Å; L347-L355 HydrophobicContact CG-CB 4.2Å; L347-I375 HydrophobicContact CD2-CG2 4.48Å; L347-I376 HydrophobicContact CB-CG1 4.48Å; L347-I376 HydrophobicContact CD2-CD1 4.36Å; L347-I376 HydrophobicContact CD2-CG1 3.75Å; L347-L379 HydrophobicContact CD1-CD1 4Å; L347-L385 HydrophobicContact CB-CD1 4.38Å; L347-L385 HydrophobicContact CB-CD2 4.2Å; L347-L385 HydrophobicContact CD1-CD2 3.95Å
348	S	92.8	Very high	96.3	Very high	40 Å²	40	25 Å²	25	28%	0.28	14%	0.14	S	C	.	.	S	Bend	trans	-151.3	158.3	173.8	56.5	0	0	0	0	110	G351	S348-G351 VanDerWaalsContact OG-CA 3.23Å; S348-G351 WeakPolarHBondContact OG-CA 3.47Å; S348-G351 PolarHBondContact OG-N 2.53Å; S348-G351 VanDerWaalsContact OG-N 3.11Å
349	D	88.3	Confident	96.3	Very high	131 Å²	131	23 Å²	23	70%	0.701	13%	0.126	S	C	*	.	S	Bend	trans	-70.7	-35.9	-178	-58.9	-26.2	0	0	0	111.7	K321	K321-D349 WeakPolarHBondContact CE-O 3.19Å; K321-D349 PolarHBondContact NZ-O 3.49Å
350	D	87.8	Confident	96.2	Very high	159 Å²	159	24.1 Å²	24.1	85%	0.85	14%	0.14	S	C	*	.	S	Bend	trans	-92.5	-18.8	-178.9	-63	-46.6	0	0	0	113.5
351	G	90.9	Very high	96.1	Very high	5 Å²	5	27.3 Å²	27.3	5%	0.052	16%	0.157	C	C	.	.	S	Bend	trans	-88.5	157.1	-172.6	0	0	0	0	0	114.2	S348 A353	S348-G351 VanDerWaalsContact OG-CA 3.23Å; S348-G351 WeakPolarHBondContact OG-CA 3.47Å; S348-G351 PolarHBondContact OG-N 2.53Å; S348-G351 VanDerWaalsContact OG-N 3.11Å; G351-A353 VanDerWaalsContact C-N 3.33Å
352	P	94.7	Very high	95.9	Very high	35 Å²	35	34.3 Å²	34.3	23%	0.227	19%	0.187	C	C	.	.			trans	-86.6	-0.1	179.8	35.3	-36.5	0	0	0	113.7	V287 Y346 C354 L392	V287-P352 HydrophobicContact CG1-CB 4.05Å; V287-P352 HydrophobicContact CG1-CG 3.76Å; Y346-P352 WeakPolarHBondContact CE1-O 2.98Å; P352-C354 PolarHBondContact O-N 3.45Å; P352-L392 HydrophobicContact CG-CD1 3.72Å
353	A	97.6	Very high	95.8	Very high	3 Å²	3	37.2 Å²	37.2	3%	0.025	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	116.1	-172.6	0	0	0	0	0	112.1	L286 V287 Y346 L347 G351 L388	L286-A353 CarbonylContact O-C 3.51Å; L286-A353 WeakPolarHBondContact O-CA 3.32Å; V287-A353 HydrophobicContact CG2-CB 3.76Å; Y346-A353 CarbonylContact C-O 3.46Å; Y346-A353 WeakPolarHBondContact CA-O 3.49Å; L347-A353 HydrophobicContact CB-CB 4.31Å; L347-A353 HydrophobicContact CD1-CB 3.99Å; L347-A353 HydrophobicContact CG-CB 4.39Å; L347-A353 PolarHBondContact N-O 3.14Å; G351-A353 VanDerWaalsContact C-N 3.33Å; A353-L388 HydrophobicContact CB-CD2 3.95Å
354	C	98.2	Very high	95.7	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.007	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.8	177.9	-171.3	0	0	0	0	110.7	I285 L286 V314 Y346 P352	I285-C354 CarbonylContact C-O 3.57Å; I285-C354 VanDerWaalsContact CA-O 3.32Å; I285-C354 WeakPolarHBondContact CA-O 3.43Å; L286-C354 PolarHBondContact N-O 3.47Å; L286-C354 PolarHBondContact O-N 3.41Å; V314-C354 HydrophobicContact CG1-CB 3.91Å; Y346-C354 HydrophobicContact CD1-CB 4.31Å; Y346-C354 HydrophobicContact CD2-CB 4.29Å; Y346-C354 HydrophobicContact CE1-CB 4.1Å; Y346-C354 HydrophobicContact CE2-CB 4.08Å; Y346-C354 HydrophobicContact CG-CB 4.42Å; P352-C354 PolarHBondContact O-N 3.45Å
355	L	98.6	Very high	95.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.1	173.2	176.2	67.8	0	0	0	109.9	L270 V284 I285 I344 S345 L347 L357 R372 I375	L270-L355 HydrophobicContact CD2-CD1 3.85Å; V284-L355 WeakPolarHBondContact O-CA 3.36Å; I285-L355 HydrophobicContact CD1-CD1 4.45Å; I285-L355 HydrophobicContact CG1-CD1 3.75Å; I344-L355 WeakPolarHBondContact CA-O 3.37Å; S345-L355 PolarHBondContact N-O 2.84Å; S345-L355 PolarHBondContact O-N 3.47Å; L347-L355 HydrophobicContact CD2-CB 3.72Å; L347-L355 HydrophobicContact CD2-CD2 4.03Å; L347-L355 HydrophobicContact CD2-CG 4.42Å; L347-L355 HydrophobicContact CG-CB 4.2Å; L355-L357 HydrophobicContact CD1-CD2 4.03Å; L355-L357 HydrophobicContact CD1-CG 4.39Å; L355-L357 HydrophobicContact CD2-CD1 4.09Å; L355-L357 HydrophobicContact CD2-CD2 4.26Å; L355-L357 HydrophobicContact CD2-CG 4.07Å; L355-L357 HydrophobicContact CG-CD2 4.25Å; L355-L357 HydrophobicContact CG-CG 4.07Å; L355-R372 HydrophobicContact CD2-CB 4.12Å; L355-R372 HydrophobicContact CD2-CG 4.02Å; L355-I375 HydrophobicContact CD2-CD1 4Å; L355-I375 HydrophobicContact CD2-CG2 4.48Å
356	L	98.5	Very high	95.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	126	168.7	-56.6	91	0	0	0	109.2	A283 V284 L286 L310 V314 H343 I344 L358	A283-L356 CarbonylContact C-O 3.54Å; A283-L356 VanDerWaalsContact CA-O 3.28Å; A283-L356 WeakPolarHBondContact CA-O 3.49Å; V284-L356 HydrophobicContact CB-CB 4.38Å; V284-L356 HydrophobicContact CB-CD1 4.3Å; V284-L356 HydrophobicContact CG1-CD1 4.49Å; V284-L356 PolarHBondContact N-O 3.31Å; V284-L356 PolarHBondContact O-N 3.15Å; L286-L356 HydrophobicContact CD1-CD1 3.71Å; L286-L356 HydrophobicContact CG-CD1 3.94Å; L310-L356 HydrophobicContact CB-CD2 4.04Å; L310-L356 HydrophobicContact CD1-CD2 4.47Å; L310-L356 HydrophobicContact CD2-CD2 3.96Å; L310-L356 HydrophobicContact CG-CD2 4.38Å; V314-L356 HydrophobicContact CG2-CD1 4.04Å; V314-L356 HydrophobicContact CG2-CD2 3.86Å; V314-L356 HydrophobicContact CG2-CG 4.21Å; H343-L356 CarbonylContact O-C 3.6Å; H343-L356 WeakPolarHBondContact O-CA 3.3Å; I344-L356 HydrophobicContact CD1-CD2 4.42Å; I344-L356 HydrophobicContact CG1-CD2 4.23Å; I344-L356 HydrophobicContact CG1-CG 4.34Å; I344-L356 HydrophobicContact CG2-CG 4.47Å; L356-L358 HydrophobicContact CB-CD1 3.96Å
357	L	98.5	Very high	95.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	114.7	171	-57.4	169	0	0	0	108.1	A283 A342 H343 L355 M368 L371 R372 I375	A283-L357 HydrophobicContact CB-CD2 3.64Å; A342-L357 WeakPolarHBondContact CA-O 3.48Å; H343-L357 HydrophobicContact CB-CB 4.24Å; H343-L357 PolarHBondContact N-O 3.36Å; H343-L357 PolarHBondContact O-N 2.98Å; L355-L357 HydrophobicContact CD1-CD2 4.03Å; L355-L357 HydrophobicContact CD1-CG 4.39Å; L355-L357 HydrophobicContact CD2-CD1 4.09Å; L355-L357 HydrophobicContact CD2-CD2 4.26Å; L355-L357 HydrophobicContact CD2-CG 4.07Å; L355-L357 HydrophobicContact CG-CD2 4.25Å; L355-L357 HydrophobicContact CG-CG 4.07Å; L357-M368 HydrophobicContact CB-SD 3.91Å; L357-M368 HydrophobicContact CD1-CB 4.21Å; L357-M368 HydrophobicContact CD1-SD 4.26Å; L357-L371 HydrophobicContact CD1-CB 4.2Å; L357-L371 HydrophobicContact CD1-CD2 3.96Å; L357-L371 HydrophobicContact CD1-CG 3.97Å; L357-L371 HydrophobicContact CD2-CD2 4.11Å; L357-R372 HydrophobicContact CD1-CB 4.48Å; L357-I375 HydrophobicContact CD2-CD1 4.21Å
358	L	98.2	Very high	95.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.3	-179.6	-65.3	85.3	0	0	0	109.5	V281 F282 L310 L331 L340 S341 A342 L356	V281-L358 PolarHBondContact N-O 2.81Å; F282-L358 HydrophobicContact CB-CB 4.21Å; F282-L358 HydrophobicContact CB-CD1 4.17Å; F282-L358 HydrophobicContact CD2-CB 4.49Å; F282-L358 PolarHBondContact N-O 3.18Å; F282-L358 PolarHBondContact O-N 3.47Å; L310-L358 HydrophobicContact CD1-CD1 4.23Å; L310-L358 HydrophobicContact CD1-CD2 4.4Å; L310-L358 HydrophobicContact CD2-CD2 4.31Å; L331-L358 HydrophobicContact CD1-CD2 3.76Å; L331-L358 HydrophobicContact CD2-CD2 4.29Å; L331-L358 HydrophobicContact CG-CD2 4.17Å; L340-L358 HydrophobicContact CB-CB 4.4Å; L340-L358 HydrophobicContact CD1-CB 4.04Å; L340-L358 HydrophobicContact CD1-CD2 4.02Å; S341-L358 WeakPolarHBondContact O-CA 3.31Å; A342-L358 HydrophobicContact CB-CG 4.25Å; L356-L358 HydrophobicContact CB-CD1 3.96Å
359	T	97.4	Very high	95.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	150.6	-176.9	175.3	0	0	0	0	111.3	S279 W326 L340 S341 D361 A364 M368	S279-T359 VanDerWaalsContact C-OG1 3.24Å; S279-T359 WeakPolarHBondContact CB-OG1 3.48Å; S279-T359 WeakPolarHBondContact O-CA 3.41Å; S279-T359 WeakPolarHBondContact O-CB 3.44Å; S279-T359 PolarHBondContact O-OG1 3.18Å; S279-T359 PolarHBondContact OG-OG1 2.87Å; S279-T359 VanDerWaalsContact OG-OG1 3.1Å; W326-T359 HydrophobicContact CH2-CG2 3.57Å; W326-T359 HydrophobicContact CZ3-CG2 4.2Å; L340-T359 WeakPolarHBondContact CA-O 3.44Å; S341-T359 PolarHBondContact N-O 3.06Å; S341-T359 WeakPolarHBondContact O-CG2 3.4Å; S341-T359 PolarHBondContact O-N 3.04Å; T359-D361 VanDerWaalsContact C-N 3.28Å; T359-D361 PolarHBondContact OG1-N 3.36Å; T359-D361 VanDerWaalsContact OG1-N 3.1Å; T359-A364 HydrophobicContact CG2-CB 4.22Å; T359-M368 HydrophobicContact CG2-CG 4.07Å; T359-M368 HydrophobicContact CG2-SD 4.21Å
360	S	95	Very high	96.3	Very high	79 Å²	79	45.7 Å²	45.7	55%	0.552	25%	0.252	S	S	*	.	S	Bend	trans	-77.8	-15.3	172.1	55.5	0	0	0	0	112.8	S279	S279-S360 PolarHBondContact O-N 3.01Å
361	D	96	Very high	96.8	Very high	74 Å²	74	38.1 Å²	38.1	40%	0.396	21%	0.211	S	C	.	.			trans	-88.9	112.2	-179.8	-174.8	-8.9	0	0	0	111.5	T359 G363 A364	T359-D361 VanDerWaalsContact C-N 3.28Å; T359-D361 PolarHBondContact OG1-N 3.36Å; T359-D361 VanDerWaalsContact OG1-N 3.1Å; D361-G363 PolarHBondContact O-N 3.16Å; D361-G363 PolarHBondContact OD1-N 3.15Å; D361-A364 HydrophobicContact CB-CB 3.76Å; D361-A364 PolarHBondContact O-N 3.16Å
362	K	94.6	Very high	97.1	Very high	157 Å²	157	40 Å²	40	68%	0.683	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.7	-179.1	-62.7	-178	-178.6	-180	0	113.8	W326 S341	W326-K362 WeakPolarHBondContact CZ2-O 3.25Å; W326-K362 PolarHBondContact NE1-O 3.13Å; S341-K362 WeakPolarHBondContact OG-CA 3.45Å
363	G	95	Very high	97.2	Very high	61 Å²	61	44.1 Å²	44.1	63%	0.629	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-1.7	-178.7	0	0	0	0	0	114.5	D361 F365	D361-G363 PolarHBondContact O-N 3.16Å; D361-G363 PolarHBondContact OD1-N 3.15Å; G363-F365 PolarHBondContact O-N 3.09Å; G363-F365 VanDerWaalsContact O-N 3.09Å
364	A	96.4	Very high	97.3	Very high	5 Å²	5	47.3 Å²	47.3	4%	0.041	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	20.1	-168.9	0	0	0	0	0	115.6	T359 D361 F366 E367 M368	T359-A364 HydrophobicContact CG2-CB 4.22Å; D361-A364 HydrophobicContact CB-CB 3.76Å; D361-A364 PolarHBondContact O-N 3.16Å; A364-F366 PolarHBondContact O-N 3.35Å; A364-E367 HydrophobicContact CB-CB 4.26Å; A364-E367 WeakPolarHBondContact O-CB 3.18Å; A364-E367 PolarHBondContact O-N 2.63Å; A364-E367 VanDerWaalsContact O-N 3.11Å; A364-M368 HydrophobicContact CB-CE 4.31Å; A364-M368 WeakPolarHBondContact O-CG 3.36Å; A364-M368 PolarHBondContact O-N 3.15Å
365	F	97.6	Very high	97.3	Very high	58 Å²	58	47.2 Å²	47.2	25%	0.254	24%	0.239	S	C	.	.	H	α-helix	trans	-52.5	-52.6	-178	173.6	-99.6	0	0	0	112.9	E324 W326 H343 G363 E367 M368 S369	E324-F365 HydrophobicContact CB-CE2 4.35Å; E324-F365 HydrophobicContact CB-CZ 4.31Å; W326-F365 HydrophobicContact CB-CD2 3.66Å; W326-F365 HydrophobicContact CB-CE2 4.02Å; W326-F365 HydrophobicContact CD2-CB 4.06Å; W326-F365 AromaticContact CD2-CD2 3.83Å; W326-F365 HydrophobicContact CD2-CD2 3.83Å; W326-F365 HydrophobicContact CD2-CG 4.45Å; W326-F365 HydrophobicContact CE3-CB 4.46Å; W326-F365 AromaticContact CE3-CD2 3.97Å; W326-F365 HydrophobicContact CE3-CD2 3.97Å; W326-F365 HydrophobicContact CG-CB 4.37Å; W326-F365 AromaticContact CG-CD2 3.75Å; W326-F365 HydrophobicContact CG-CD2 3.75Å; W326-F365 HydrophobicContact CG-CG 4.46Å; W326-F365 HydrophobicContact CZ2-CB 4.28Å; H343-F365 AromaticContact CD2-CE2 4Å; G363-F365 PolarHBondContact O-N 3.09Å; G363-F365 VanDerWaalsContact O-N 3.09Å; F365-E367 VanDerWaalsContact C-N 3.29Å; F365-E367 PolarHBondContact O-N 3.21Å; F365-M368 PolarHBondContact O-N 2.7Å; F365-S369 PolarHBondContact O-N 3.4Å
366	F	97	Very high	97.2	Very high	156 Å²	156	48.7 Å²	48.7	68%	0.684	25%	0.246	S	C	*	.	H	α-helix	trans	-68.1	-29	-178.9	-63.5	-70.5	0	0	0	112.9	A364 N370	A364-F366 PolarHBondContact O-N 3.35Å; F366-N370 WeakPolarHBondContact O-CB 3.28Å; F366-N370 PolarHBondContact O-N 2.9Å; F366-N370 PolarHBondContact O-ND2 2.83Å
367	E	97.1	Very high	97.2	Very high	73 Å²	73	53.4 Å²	53.4	34%	0.341	27%	0.268	S	S	.	.	H	α-helix	trans	-66.3	-45	172.8	-171.2	-174.2	168.5	0	0	110.3	S277 A364 F365 N370 L371	S277-E367 WeakPolarHBondContact CB-OE1 3.34Å; S277-E367 PolarHBondContact OG-OE1 2.8Å; A364-E367 HydrophobicContact CB-CB 4.26Å; A364-E367 WeakPolarHBondContact O-CB 3.18Å; A364-E367 PolarHBondContact O-N 2.63Å; A364-E367 VanDerWaalsContact O-N 3.11Å; F365-E367 VanDerWaalsContact C-N 3.29Å; F365-E367 PolarHBondContact O-N 3.21Å; E367-N370 PolarHBondContact O-N 3.19Å; E367-L371 WeakPolarHBondContact O-CB 3.4Å; E367-L371 PolarHBondContact O-N 3.21Å
368	M	97.8	Very high	97.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.9	-41.3	178.4	-64.8	-51.9	103.2	0	0	112.1	V280 W326 H343 L357 T359 A364 F365 N370 L371 R372	V280-M368 HydrophobicContact CG2-CE 3.52Å; V280-M368 HydrophobicContact CG2-SD 3.54Å; V280-M368 VanDerWaalsContact CG2-SD 3.54Å; W326-M368 HydrophobicContact CH2-CG 4.1Å; W326-M368 HydrophobicContact CZ3-CB 4.31Å; W326-M368 HydrophobicContact CZ3-CG 3.86Å; H343-M368 HydrophobicContact CB-CB 3.66Å; H343-M368 HydrophobicContact CB-CG 4.14Å; L357-M368 HydrophobicContact CB-SD 3.91Å; L357-M368 HydrophobicContact CD1-CB 4.21Å; L357-M368 HydrophobicContact CD1-SD 4.26Å; T359-M368 HydrophobicContact CG2-CG 4.07Å; T359-M368 HydrophobicContact CG2-SD 4.21Å; A364-M368 HydrophobicContact CB-CE 4.31Å; A364-M368 WeakPolarHBondContact O-CG 3.36Å; A364-M368 PolarHBondContact O-N 3.15Å; F365-M368 PolarHBondContact O-N 2.7Å; M368-N370 VanDerWaalsContact C-N 3.34Å; M368-N370 PolarHBondContact O-N 3.39Å; M368-L371 HydrophobicContact CE-CD2 4.47Å; M368-L371 WeakPolarHBondContact O-CB 3.49Å; M368-L371 PolarHBondContact O-N 3.46Å; M368-L371 VanDerWaalsContact O-N 3.14Å; M368-L371 HydrophobicContact SD-CD2 4.26Å; M368-R372 WeakPolarHBondContact O-CB 3.39Å; M368-R372 PolarHBondContact O-N 2.99Å
369	S	97.7	Very high	97.2	Very high	27 Å²	27	58.7 Å²	58.7	19%	0.189	29%	0.288	C	S	.	.	H	α-helix	trans	-60.2	-43.8	174	-176	0	0	0	0	111.8	E324 F365 L371 R372 R373	E324-S369 PolarHBondContact OE1-OG 3.18Å; E324-S369 WeakPolarHBondContact OE2-CB 3.49Å; E324-S369 PolarHBondContact OE2-OG 3.12Å; F365-S369 PolarHBondContact O-N 3.4Å; S369-L371 VanDerWaalsContact C-N 3.35Å; S369-L371 PolarHBondContact O-N 2.95Å; S369-R372 WeakPolarHBondContact O-CB 3.32Å; S369-R372 PolarHBondContact O-N 2.94Å; S369-R373 PolarHBondContact O-N 2.94Å
370	N	97.6	Very high	97.2	Very high	66 Å²	66	63 Å²	63	35%	0.353	31%	0.311	S	S	.	.	H	α-helix	trans	-65.8	-36.8	173.7	-82	-56.8	0	0	0	112.7	F366 E367 M368 R373 R374	F366-N370 WeakPolarHBondContact O-CB 3.28Å; F366-N370 PolarHBondContact O-N 2.9Å; F366-N370 PolarHBondContact O-ND2 2.83Å; E367-N370 PolarHBondContact O-N 3.19Å; M368-N370 VanDerWaalsContact C-N 3.34Å; M368-N370 PolarHBondContact O-N 3.39Å; N370-R373 PolarHBondContact O-N 3.33Å; N370-R373 PolarHBondContact OD1-NH2 3.05Å; N370-R374 WeakPolarHBondContact O-CG 3.24Å; N370-R374 PolarHBondContact O-N 3.46Å; N370-R374 VanDerWaalsContact O-N 3.14Å; N370-R374 PolarHBondContact O-NH1 2.87Å
371	L	97.9	Very high	97.3	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-64.3	-46.7	175.3	175.5	57.8	0	0	0	111.3	Q273 V280 L357 E367 M368 S369 R373 R374 I375	Q273-L371 HydrophobicContact CB-CD1 3.61Å; Q273-L371 WeakPolarHBondContact O-CD1 3.4Å; V280-L371 HydrophobicContact CG2-CD2 3.65Å; L357-L371 HydrophobicContact CD1-CB 4.2Å; L357-L371 HydrophobicContact CD1-CD2 3.96Å; L357-L371 HydrophobicContact CD1-CG 3.97Å; L357-L371 HydrophobicContact CD2-CD2 4.11Å; E367-L371 WeakPolarHBondContact O-CB 3.4Å; E367-L371 PolarHBondContact O-N 3.21Å; M368-L371 HydrophobicContact CE-CD2 4.47Å; M368-L371 WeakPolarHBondContact O-CB 3.49Å; M368-L371 PolarHBondContact O-N 3.46Å; M368-L371 VanDerWaalsContact O-N 3.14Å; M368-L371 HydrophobicContact SD-CD2 4.26Å; S369-L371 VanDerWaalsContact C-N 3.35Å; S369-L371 PolarHBondContact O-N 2.95Å; L371-R373 VanDerWaalsContact C-N 3.32Å; L371-R373 PolarHBondContact O-N 3.34Å; L371-R374 PolarHBondContact O-N 3.44Å; L371-I375 HydrophobicContact CD1-CD1 3.98Å; L371-I375 HydrophobicContact CD1-CG1 4.26Å; L371-I375 HydrophobicContact CG-CD1 3.93Å; L371-I375 WeakPolarHBondContact O-CG1 3.39Å; L371-I375 PolarHBondContact O-N 2.92Å
372	R	97.6	Very high	97.4	Very high	44 Å²	44	66.7 Å²	66.7	17%	0.166	32%	0.319	C	S	.	.	H	α-helix	trans	-50.6	-51.5	171.6	177.9	-143.7	-178.9	-177.2	-1.4	110.7	E324 S345 Y346 L355 L357 M368 S369 R374 I375 I376	E324-R372 IonicContact OE1-CZ 2.92Å; E324-R372 IonicContact OE1-NH1 2.94Å; E324-R372 PolarHBondContact OE1-NH1 3.47Å; S345-R372 VanDerWaalsContact OG-CD 3.25Å; S345-R372 WeakPolarHBondContact OG-CD 3.44Å; S345-R372 WeakPolarHBondContact OG-CG 3.21Å; S345-R372 PolarHBondContact OG-NE 3.05Å; S345-R372 VanDerWaalsContact OG-NE 3.13Å; Y346-R372 PolarHBondContact O-NE 2.87Å; Y346-R372 PolarHBondContact O-NH2 3.09Å; L355-R372 HydrophobicContact CD2-CB 4.12Å; L355-R372 HydrophobicContact CD2-CG 4.02Å; L357-R372 HydrophobicContact CD1-CB 4.48Å; M368-R372 WeakPolarHBondContact O-CB 3.39Å; M368-R372 PolarHBondContact O-N 2.99Å; S369-R372 WeakPolarHBondContact O-CB 3.32Å; S369-R372 PolarHBondContact O-N 2.94Å; R372-R374 PolarHBondContact O-N 2.81Å; R372-I375 WeakPolarHBondContact O-CB 3.32Å; R372-I375 PolarHBondContact O-N 3.18Å; R372-I375 VanDerWaalsContact O-N 3.16Å; R372-I376 HydrophobicContact CG-CD1 3.87Å; R372-I376 WeakPolarHBondContact O-CG1 3.48Å; R372-I376 PolarHBondContact O-N 3.11Å
373	R	97.6	Very high	97.5	Very high	123 Å²	123	66.4 Å²	66.4	46%	0.464	32%	0.318	S	S	.	.	H	α-helix	trans	-57.4	-46.7	179.6	-178.7	172.5	57.4	84.4	-3.2	112.5	S369 N370 L371 I375 I376 E377	S369-R373 PolarHBondContact O-N 2.94Å; N370-R373 PolarHBondContact O-N 3.33Å; N370-R373 PolarHBondContact OD1-NH2 3.05Å; L371-R373 VanDerWaalsContact C-N 3.32Å; L371-R373 PolarHBondContact O-N 3.34Å; R373-I375 VanDerWaalsContact C-N 3.33Å; R373-I375 PolarHBondContact O-N 3.14Å; R373-I376 PolarHBondContact O-N 2.85Å; R373-E377 HydrophobicContact CG-CG 4.48Å; R373-E377 WeakPolarHBondContact CG-OE1 3.33Å; R373-E377 IonicContact CZ-OE1 3.7Å; R373-E377 IonicContact NH1-OE1 2.74Å; R373-E377 PolarHBondContact NH1-OE1 3.31Å; R373-E377 WeakPolarHBondContact O-CG 3.34Å; R373-E377 PolarHBondContact O-N 3.03Å
374	R	98	Very high	97.7	Very high	69 Å²	69	63.5 Å²	63.5	26%	0.26	29%	0.288	S	S	.	.	H	α-helix	trans	-64.3	-36.6	177.5	-65.2	-170.2	-56.7	-88.1	6.4	112.9	N370 L371 R372 R378	N370-R374 WeakPolarHBondContact O-CG 3.24Å; N370-R374 PolarHBondContact O-N 3.46Å; N370-R374 VanDerWaalsContact O-N 3.14Å; N370-R374 PolarHBondContact O-NH1 2.87Å; L371-R374 PolarHBondContact O-N 3.44Å; R372-R374 PolarHBondContact O-N 2.81Å; R374-R378 WeakPolarHBondContact O-CG 3.48Å; R374-R378 PolarHBondContact O-N 2.8Å; R374-R378 VanDerWaalsContact O-N 3.1Å
375	I	98.3	Very high	97.7	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.1	-50.4	174.6	-70.9	165.3	0	0	0	109.6	T269 L270 Q273 L347 L355 L357 L371 R372 R373 E377 R378 L379	T269-I375 HydrophobicContact CG2-CG2 4.33Å; L270-I375 HydrophobicContact CD2-CD1 3.98Å; L270-I375 HydrophobicContact CD2-CG2 4.34Å; Q273-I375 HydrophobicContact CB-CD1 4.44Å; Q273-I375 HydrophobicContact CB-CG1 3.81Å; Q273-I375 HydrophobicContact CG-CG1 3.99Å; L347-I375 HydrophobicContact CD2-CG2 4.48Å; L355-I375 HydrophobicContact CD2-CD1 4Å; L355-I375 HydrophobicContact CD2-CG2 4.48Å; L357-I375 HydrophobicContact CD2-CD1 4.21Å; L371-I375 HydrophobicContact CD1-CD1 3.98Å; L371-I375 HydrophobicContact CD1-CG1 4.26Å; L371-I375 HydrophobicContact CG-CD1 3.93Å; L371-I375 WeakPolarHBondContact O-CG1 3.39Å; L371-I375 PolarHBondContact O-N 2.92Å; R372-I375 WeakPolarHBondContact O-CB 3.32Å; R372-I375 PolarHBondContact O-N 3.18Å; R372-I375 VanDerWaalsContact O-N 3.16Å; R373-I375 VanDerWaalsContact C-N 3.33Å; R373-I375 PolarHBondContact O-N 3.14Å; I375-E377 PolarHBondContact O-N 3.28Å; I375-R378 PolarHBondContact O-N 2.91Å; I375-L379 HydrophobicContact CG2-CD1 3.72Å; I375-L379 HydrophobicContact CG2-CG 4.29Å; I375-L379 WeakPolarHBondContact O-CG 3.37Å; I375-L379 PolarHBondContact O-N 2.97Å
376	I	98.2	Very high	97.6	Very high	30 Å²	30	63.6 Å²	63.6	15%	0.154	30%	0.297	C	S	.	.	H	α-helix	trans	-57.9	-47.5	177.6	-68.8	169.9	0	0	0	111	L347 R372 R373 R378 L379 N380	L347-I376 HydrophobicContact CB-CG1 4.48Å; L347-I376 HydrophobicContact CD2-CD1 4.36Å; L347-I376 HydrophobicContact CD2-CG1 3.75Å; R372-I376 HydrophobicContact CG-CD1 3.87Å; R372-I376 WeakPolarHBondContact O-CG1 3.48Å; R372-I376 PolarHBondContact O-N 3.11Å; R373-I376 PolarHBondContact O-N 2.85Å; I376-R378 VanDerWaalsContact C-N 3.32Å; I376-R378 PolarHBondContact O-N 3.29Å; I376-L379 PolarHBondContact O-N 3.36Å; I376-N380 VanDerWaalsContact CG2-ND2 3.34Å; I376-N380 WeakPolarHBondContact CG2-ND2 3.42Å; I376-N380 WeakPolarHBondContact O-CB 3.22Å; I376-N380 PolarHBondContact O-N 2.87Å; I376-N380 PolarHBondContact O-ND2 2.94Å
377	E	98	Very high	97.6	Very high	99 Å²	99	59.6 Å²	59.6	46%	0.463	28%	0.282	S	S	.	.	H	α-helix	trans	-56.5	-43.7	178	-74.5	169.8	-167.8	0	0	112	R373 I375 K381	R373-E377 HydrophobicContact CG-CG 4.48Å; R373-E377 WeakPolarHBondContact CG-OE1 3.33Å; R373-E377 IonicContact CZ-OE1 3.7Å; R373-E377 IonicContact NH1-OE1 2.74Å; R373-E377 PolarHBondContact NH1-OE1 3.31Å; R373-E377 WeakPolarHBondContact O-CG 3.34Å; R373-E377 PolarHBondContact O-N 3.03Å; I375-E377 PolarHBondContact O-N 3.28Å; E377-K381 WeakPolarHBondContact O-CB 3.37Å; E377-K381 PolarHBondContact O-N 2.89Å
378	R	98.1	Very high	97.6	Very high	112 Å²	112	56.2 Å²	56.2	42%	0.423	27%	0.266	S	S	.	.	H	α-helix	trans	-71	-40.7	178.5	-75.7	-169.2	175.7	-165.9	0.2	113.4	T269 S272 Q273 R374 I375 I376 K381 S382	T269-R378 HydrophobicContact CG2-CB 3.75Å; S272-R378 PolarHBondContact OG-NH1 2.93Å; Q273-R378 VanDerWaalsContact NE2-NH2 3.13Å; R374-R378 WeakPolarHBondContact O-CG 3.48Å; R374-R378 PolarHBondContact O-N 2.8Å; R374-R378 VanDerWaalsContact O-N 3.1Å; I375-R378 PolarHBondContact O-N 2.91Å; I376-R378 VanDerWaalsContact C-N 3.32Å; I376-R378 PolarHBondContact O-N 3.29Å; R378-K381 PolarHBondContact O-N 3.3Å; R378-S382 PolarHBondContact O-N 2.79Å; R378-S382 VanDerWaalsContact O-N 3.07Å; R378-S382 PolarHBondContact O-OG 3.41Å
379	L	98.2	Very high	97.6	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66.1	-40.1	177.5	-67.4	175.1	0	0	0	111.1	F266 T269 I285 L347 I375 I376 S382 K383 A384 L385	F266-L379 HydrophobicContact CD1-CD1 3.88Å; F266-L379 HydrophobicContact CD1-CD2 3.56Å; F266-L379 HydrophobicContact CD1-CG 4.38Å; F266-L379 HydrophobicContact CE1-CD1 3.69Å; F266-L379 HydrophobicContact CE1-CD2 3.78Å; F266-L379 HydrophobicContact CE1-CG 4.31Å; F266-L379 HydrophobicContact CG-CD2 4.15Å; F266-L379 HydrophobicContact CZ-CD2 4.49Å; T269-L379 HydrophobicContact CG2-CD2 3.96Å; T269-L379 HydrophobicContact CG2-CG 4.04Å; I285-L379 HydrophobicContact CD1-CD1 4.49Å; L347-L379 HydrophobicContact CD1-CD1 4Å; I375-L379 HydrophobicContact CG2-CD1 3.72Å; I375-L379 HydrophobicContact CG2-CG 4.29Å; I375-L379 WeakPolarHBondContact O-CG 3.37Å; I375-L379 PolarHBondContact O-N 2.97Å; I376-L379 PolarHBondContact O-N 3.36Å; L379-S382 CarbonylContact O-C 3.55Å; L379-S382 PolarHBondContact O-N 3.16Å; L379-S382 PolarHBondContact O-OG 2.92Å; L379-S382 VanDerWaalsContact O-OG 3.12Å; L379-K383 PolarHBondContact O-N 3.01Å; L379-K383 VanDerWaalsContact O-N 3.08Å; L379-A384 HydrophobicContact CB-CB 4.24Å; L379-A384 HydrophobicContact CD2-CB 3.83Å; L379-A384 PolarHBondContact O-N 2.89Å; L379-L385 HydrophobicContact CB-CD2 4.27Å; L379-L385 HydrophobicContact CB-CG 4.04Å; L379-L385 HydrophobicContact CD1-CD2 4.1Å
380	N	97.5	Very high	97.5	Very high	91 Å²	91	63.6 Å²	63.6	49%	0.487	30%	0.299	S	S	.	.	H	α-helix	trans	-64.7	-44.4	173.4	-80.6	-36.1	0	0	0	112.2	I376 S382 K383	I376-N380 VanDerWaalsContact CG2-ND2 3.34Å; I376-N380 WeakPolarHBondContact CG2-ND2 3.42Å; I376-N380 WeakPolarHBondContact O-CB 3.22Å; I376-N380 PolarHBondContact O-N 2.87Å; I376-N380 PolarHBondContact O-ND2 2.94Å; N380-S382 PolarHBondContact O-N 3.36Å; N380-K383 PolarHBondContact O-N 3.4Å
381	K	98	Very high	97.4	Very high	188 Å²	188	60.7 Å²	60.7	82%	0.817	29%	0.285	S	S	*	.	H	α-helix	trans	-58.7	-36.6	177.4	-175.3	177.1	180	179.1	0	112.6	E377 R378 K383	E377-K381 WeakPolarHBondContact O-CB 3.37Å; E377-K381 PolarHBondContact O-N 2.89Å; R378-K381 PolarHBondContact O-N 3.3Å; K381-K383 VanDerWaalsContact C-N 3.32Å
382	S	97.5	Very high	97.3	Very high	42 Å²	42	62.1 Å²	62.1	29%	0.294	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	2.1	176.4	60.3	0	0	0	0	113.9	N265 R378 L379 N380 A384 M387	N265-S382 VanDerWaalsContact ND2-CB 3.32Å; N265-S382 WeakPolarHBondContact ND2-CB 3.42Å; N265-S382 PolarHBondContact ND2-OG 2.96Å; R378-S382 PolarHBondContact O-N 2.79Å; R378-S382 VanDerWaalsContact O-N 3.07Å; R378-S382 PolarHBondContact O-OG 3.41Å; L379-S382 CarbonylContact O-C 3.55Å; L379-S382 PolarHBondContact O-N 3.16Å; L379-S382 PolarHBondContact O-OG 2.92Å; L379-S382 VanDerWaalsContact O-OG 3.12Å; N380-S382 PolarHBondContact O-N 3.36Å; S382-A384 PolarHBondContact O-N 3.22Å; S382-M387 WeakPolarHBondContact O-CE 3.22Å
383	K	97.4	Very high	97.2	Very high	150 Å²	150	65.6 Å²	65.6	65%	0.652	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	20.8	-174.2	-54.4	-178.2	178.1	-176.6	0	114.2	L379 N380 K381 L385 A386 M387	L379-K383 PolarHBondContact O-N 3.01Å; L379-K383 VanDerWaalsContact O-N 3.08Å; N380-K383 PolarHBondContact O-N 3.4Å; K381-K383 VanDerWaalsContact C-N 3.32Å; K383-L385 VanDerWaalsContact C-N 3.31Å; K383-L385 PolarHBondContact O-N 2.84Å; K383-A386 PolarHBondContact O-N 3.04Å; K383-M387 HydrophobicContact CB-CE 4.38Å; K383-M387 WeakPolarHBondContact O-CE 3.46Å; K383-M387 WeakPolarHBondContact O-CG 3.38Å; K383-M387 PolarHBondContact O-N 2.97Å; K383-M387 VanDerWaalsContact O-N 3.08Å
384	A	97.7	Very high	97	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.3	-36.1	-175.2	0	0	0	0	0	113.1	L262 F266 L379 S382 L388	L262-A384 HydrophobicContact CD1-CB 4.07Å; F266-A384 HydrophobicContact CE2-CB 3.97Å; F266-A384 HydrophobicContact CZ-CB 3.97Å; L379-A384 HydrophobicContact CB-CB 4.24Å; L379-A384 HydrophobicContact CD2-CB 3.83Å; L379-A384 PolarHBondContact O-N 2.89Å; S382-A384 PolarHBondContact O-N 3.22Å; A384-L388 WeakPolarHBondContact O-CB 3.41Å; A384-L388 PolarHBondContact O-N 3.15Å
385	L	96.9	Very high	96.7	Very high	13 Å²	13	64.5 Å²	64.5	7%	0.068	32%	0.315	C	S	.	.	H	α-helix	trans	-67.1	-43.7	177.7	-61.5	-177	0	0	0	111.8	F266 L347 L379 K383 M387 L388 D389	F266-L385 HydrophobicContact CE1-CD2 3.99Å; F266-L385 HydrophobicContact CZ-CD2 4.1Å; L347-L385 HydrophobicContact CB-CD1 4.38Å; L347-L385 HydrophobicContact CB-CD2 4.2Å; L347-L385 HydrophobicContact CD1-CD2 3.95Å; L379-L385 HydrophobicContact CB-CD2 4.27Å; L379-L385 HydrophobicContact CB-CG 4.04Å; L379-L385 HydrophobicContact CD1-CD2 4.1Å; K383-L385 VanDerWaalsContact C-N 3.31Å; K383-L385 PolarHBondContact O-N 2.84Å; L385-M387 PolarHBondContact O-N 3.07Å; L385-L388 WeakPolarHBondContact O-CB 3.49Å; L385-L388 PolarHBondContact O-N 3.22Å; L385-L388 VanDerWaalsContact O-N 3.15Å; L385-D389 PolarHBondContact O-N 3.41Å
386	A	96.2	Very high	96.3	Very high	52 Å²	52	68.8 Å²	68.8	43%	0.43	35%	0.345	S	S	.	.	H	α-helix	trans	-63.5	-42.4	176.1	0	0	0	0	0	112	K383 L388 D389 E390	K383-A386 PolarHBondContact O-N 3.04Å; A386-L388 VanDerWaalsContact C-N 3.26Å; A386-L388 PolarHBondContact O-N 3.05Å; A386-D389 PolarHBondContact O-N 3.26Å; A386-E390 WeakPolarHBondContact O-CG 3.49Å; A386-E390 PolarHBondContact O-N 3.19Å
387	M	97.3	Very high	96	Very high	73 Å²	73	70.8 Å²	70.8	36%	0.36	37%	0.365	S	S	.	.	H	α-helix	trans	-65.1	-30.1	175.1	-68.5	-175.4	-76	0	0	112.6	L262 S382 K383 L385 A391	L262-M387 HydrophobicContact CD1-CB 3.82Å; L262-M387 HydrophobicContact CD1-CE 3.96Å; L262-M387 HydrophobicContact CD1-SD 4.47Å; L262-M387 HydrophobicContact CD2-CB 3.88Å; L262-M387 HydrophobicContact CG-CB 4.49Å; S382-M387 WeakPolarHBondContact O-CE 3.22Å; K383-M387 HydrophobicContact CB-CE 4.38Å; K383-M387 WeakPolarHBondContact O-CE 3.46Å; K383-M387 WeakPolarHBondContact O-CG 3.38Å; K383-M387 PolarHBondContact O-N 2.97Å; K383-M387 VanDerWaalsContact O-N 3.08Å; L385-M387 PolarHBondContact O-N 3.07Å; M387-A391 WeakPolarHBondContact O-CB 3.36Å; M387-A391 PolarHBondContact O-N 3.49Å
388	L	97.2	Very high	95.6	Very high	1 Å²	1	68 Å²	68	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-67.7	-43.5	173.9	176.3	66.8	0	0	0	111	L256 M258 F266 V287 V292 A353 A384 L385 A386 A391 L392	L256-L388 HydrophobicContact CD2-CD1 3.32Å; M258-L388 HydrophobicContact SD-CD1 4.34Å; F266-L388 HydrophobicContact CE1-CD2 4.42Å; F266-L388 HydrophobicContact CE2-CB 4.17Å; F266-L388 HydrophobicContact CE2-CD2 4.47Å; F266-L388 HydrophobicContact CZ-CB 3.99Å; F266-L388 HydrophobicContact CZ-CD2 3.79Å; F266-L388 HydrophobicContact CZ-CG 4.38Å; V287-L388 HydrophobicContact CG2-CD2 4.08Å; V292-L388 HydrophobicContact CG1-CD1 4.27Å; V292-L388 HydrophobicContact CG2-CD1 4.29Å; A353-L388 HydrophobicContact CB-CD2 3.95Å; A384-L388 WeakPolarHBondContact O-CB 3.41Å; A384-L388 PolarHBondContact O-N 3.15Å; L385-L388 WeakPolarHBondContact O-CB 3.49Å; L385-L388 PolarHBondContact O-N 3.22Å; L385-L388 VanDerWaalsContact O-N 3.15Å; A386-L388 VanDerWaalsContact C-N 3.26Å; A386-L388 PolarHBondContact O-N 3.05Å; L388-A391 PolarHBondContact O-N 2.96Å; L388-L392 HydrophobicContact CG-CD1 4.37Å; L388-L392 WeakPolarHBondContact O-CG 3.46Å; L388-L392 PolarHBondContact O-N 2.89Å
389	D	96.2	Very high	95.3	Very high	64 Å²	64	65.1 Å²	65.1	34%	0.342	35%	0.345	S	S	.	.	H	α-helix	trans	-62.8	-42.2	176.7	-64.7	-32.9	0	0	0	111.5	L385 A386 L392 I393	L385-D389 PolarHBondContact O-N 3.41Å; A386-D389 PolarHBondContact O-N 3.26Å; D389-L392 PolarHBondContact O-N 3.39Å; D389-I393 WeakPolarHBondContact O-CG1 3.4Å; D389-I393 PolarHBondContact O-N 2.71Å; D389-I393 VanDerWaalsContact O-N 3.12Å
390	E	96.2	Very high	95	Very high	118 Å²	118	65.5 Å²	65.5	55%	0.551	35%	0.347	S	S	*	.	H	α-helix	trans	-59.1	-46.4	172.5	-71.3	172.2	-170.9	0	0	111.6	A386 L392 I393 E394	A386-E390 WeakPolarHBondContact O-CG 3.49Å; A386-E390 PolarHBondContact O-N 3.19Å; E390-L392 VanDerWaalsContact C-N 3.3Å; E390-L392 PolarHBondContact O-N 3.15Å; E390-I393 PolarHBondContact O-N 2.78Å; E390-E394 WeakPolarHBondContact O-CG 3.25Å; E390-E394 PolarHBondContact O-N 2.88Å
391	A	95.6	Very high	94.6	Very high	5 Å²	5	67.2 Å²	67.2	4%	0.041	36%	0.356	C	S	.	.	H	α-helix	trans	-62.9	-34.5	178.4	0	0	0	0	0	112.9	M258 M387 L388 R395	M258-A391 HydrophobicContact CB-CB 4.05Å; M387-A391 WeakPolarHBondContact O-CB 3.36Å; M387-A391 PolarHBondContact O-N 3.49Å; L388-A391 PolarHBondContact O-N 2.96Å; A391-R395 VanDerWaalsContact O-CB 3.22Å; A391-R395 WeakPolarHBondContact O-CB 3.45Å; A391-R395 PolarHBondContact O-N 3.25Å
392	L	95.6	Very high	94.3	Very high	31 Å²	31	65.5 Å²	65.5	16%	0.162	35%	0.35	C	S	.	.	H	α-helix	trans	-66.2	-42.8	174.9	-71.8	165.2	0	0	0	111.7	L256 V287 P352 L388 D389 E390 R395 S396	L256-L392 HydrophobicContact CD1-CD2 3.57Å; L256-L392 HydrophobicContact CD2-CD2 3.88Å; L256-L392 HydrophobicContact CD2-CG 4.33Å; L256-L392 HydrophobicContact CG-CD2 4.4Å; V287-L392 HydrophobicContact CG1-CD1 3.86Å; V287-L392 HydrophobicContact CG1-CD2 3.61Å; V287-L392 HydrophobicContact CG1-CG 4.37Å; P352-L392 HydrophobicContact CG-CD1 3.72Å; L388-L392 HydrophobicContact CG-CD1 4.37Å; L388-L392 WeakPolarHBondContact O-CG 3.46Å; L388-L392 PolarHBondContact O-N 2.89Å; D389-L392 PolarHBondContact O-N 3.39Å; E390-L392 VanDerWaalsContact C-N 3.3Å; E390-L392 PolarHBondContact O-N 3.15Å; L392-R395 PolarHBondContact O-N 3.41Å; L392-S396 WeakPolarHBondContact O-CB 3.34Å; L392-S396 PolarHBondContact O-N 2.89Å
393	I	95.1	Very high	94.1	Very high	117 Å²	117	64.3 Å²	64.3	60%	0.6	34%	0.34	S	S	*	.	H	α-helix	trans	-63.2	-50.7	176.7	-65.5	165.7	0	0	0	109.9	D389 E390 R395 S396 A397	D389-I393 WeakPolarHBondContact O-CG1 3.4Å; D389-I393 PolarHBondContact O-N 2.71Å; D389-I393 VanDerWaalsContact O-N 3.12Å; E390-I393 PolarHBondContact O-N 2.78Å; I393-R395 VanDerWaalsContact C-N 3.27Å; I393-R395 PolarHBondContact O-N 3.42Å; I393-S396 PolarHBondContact O-N 3.28Å; I393-S396 PolarHBondContact O-OG 2.92Å; I393-A397 PolarHBondContact O-N 3.07Å; I393-A397 VanDerWaalsContact O-N 3.12Å
394	E	93.4	Very high	93.9	Very high	139 Å²	139	59.8 Å²	59.8	65%	0.65	34%	0.336	S	S	*	.	H	α-helix	trans	-57.5	-41.9	177	-72.3	-175.8	171.9	0	0	111.8	E390 A397 F398	E390-E394 WeakPolarHBondContact O-CG 3.25Å; E390-E394 PolarHBondContact O-N 2.88Å; E394-A397 PolarHBondContact O-N 3.34Å; E394-F398 PolarHBondContact O-N 3.39Å
395	R	92.3	Very high	93.8	Very high	30 Å²	30	60.1 Å²	60.1	11%	0.113	34%	0.339	C	S	.	.	H	α-helix	trans	-65	-41.8	178.6	-178.3	52.9	178.6	176.9	-2.3	112	A391 L392 I393 A397 F398 C423 P425	A391-R395 VanDerWaalsContact O-CB 3.22Å; A391-R395 WeakPolarHBondContact O-CB 3.45Å; A391-R395 PolarHBondContact O-N 3.25Å; L392-R395 PolarHBondContact O-N 3.41Å; I393-R395 VanDerWaalsContact C-N 3.27Å; I393-R395 PolarHBondContact O-N 3.42Å; R395-A397 PolarHBondContact O-N 3.22Å; R395-F398 VanDerWaalsContact O-CB 3.31Å; R395-F398 WeakPolarHBondContact O-CB 3.5Å; R395-F398 PolarHBondContact O-N 3.01Å; R395-F398 VanDerWaalsContact O-N 3.16Å; R395-C423 PolarHBondContact NH2-O 3.1Å; R395-P425 WeakPolarHBondContact O-CG 3.34Å
396	S	90.3	Very high	93.7	Very high	90 Å²	90	62.1 Å²	62.1	63%	0.629	36%	0.357	S	S	*	.	H	α-helix	trans	-63.5	-30.5	177.5	73.7	0	0	0	0	112.7	L392 I393 F398	L392-S396 WeakPolarHBondContact O-CB 3.34Å; L392-S396 PolarHBondContact O-N 2.89Å; I393-S396 PolarHBondContact O-N 3.28Å; I393-S396 PolarHBondContact O-OG 2.92Å; S396-F398 VanDerWaalsContact C-N 3.35Å
397	A	90.8	Very high	93.6	Very high	71 Å²	71	63.4 Å²	63.4	59%	0.587	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-5.8	177.4	0	0	0	0	0	113.8	I393 E394 R395 N399	I393-A397 PolarHBondContact O-N 3.07Å; I393-A397 VanDerWaalsContact O-N 3.12Å; E394-A397 PolarHBondContact O-N 3.34Å; R395-A397 PolarHBondContact O-N 3.22Å; A397-N399 PolarHBondContact O-N 2.62Å
398	F	91.3	Very high	93.6	Very high	41 Å²	41	60.3 Å²	60.3	18%	0.18	34%	0.341	C	S	.	.			trans	-66.3	120.6	-178.1	176.3	-95.9	0	0	0	111.4	E394 R395 S396 V400 L403 A424 P425 W503	E394-F398 PolarHBondContact O-N 3.39Å; R395-F398 VanDerWaalsContact O-CB 3.31Å; R395-F398 WeakPolarHBondContact O-CB 3.5Å; R395-F398 PolarHBondContact O-N 3.01Å; R395-F398 VanDerWaalsContact O-N 3.16Å; S396-F398 VanDerWaalsContact C-N 3.35Å; F398-V400 HydrophobicContact CE1-CG1 4.37Å; F398-L403 HydrophobicContact CE2-CD2 3.98Å; F398-L403 HydrophobicContact CZ-CD1 4.05Å; F398-L403 HydrophobicContact CZ-CD2 3.76Å; F398-L403 HydrophobicContact CZ-CG 3.97Å; F398-A424 HydrophobicContact CE1-CB 4.17Å; F398-P425 HydrophobicContact CB-CG 4.4Å; F398-W503 HydrophobicContact CE2-CH2 4.33Å; F398-W503 HydrophobicContact CE2-CZ2 4.01Å; F398-W503 AromaticContact CZ-CH2 3.95Å; F398-W503 HydrophobicContact CZ-CH2 3.95Å; F398-W503 HydrophobicContact CZ-CZ2 4.04Å
399	N	90	Very high	93.5	Very high	51 Å²	51	62.5 Å²	62.5	27%	0.273	35%	0.352	S	S	.	.			trans	-114.9	134.4	175	-168.6	-46.1	0	0	0	110.3	A397 L401 H402	A397-N399 PolarHBondContact O-N 2.62Å; N399-L401 PolarHBondContact O-N 3.31Å; N399-L401 VanDerWaalsContact O-N 3.14Å; N399-L401 WeakPolarHBondContact OD1-CB 3.45Å; N399-L401 VanDerWaalsContact OD1-CG 3.22Å; N399-L401 WeakPolarHBondContact OD1-CG 3.44Å; N399-L401 PolarHBondContact OD1-N 3.38Å; N399-H402 WeakPolarHBondContact O-CB 3.46Å; N399-H402 PolarHBondContact O-N 2.62Å; N399-H402 VanDerWaalsContact O-N 3.11Å; N399-H402 PolarHBondContact O-ND1 3Å
400	V	92.3	Very high	93.5	Very high	8 Å²	8	59.6 Å²	59.6	5%	0.048	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-59.2	-23.8	178.9	-63.2	0	0	0	0	113.5	F398 H402 L403 L408 I409 F411 A424	F398-V400 HydrophobicContact CE1-CG1 4.37Å; V400-H402 PolarHBondContact O-N 2.86Å; V400-L403 WeakPolarHBondContact O-CB 3.36Å; V400-L403 WeakPolarHBondContact O-CG 3.34Å; V400-L403 PolarHBondContact O-N 3.03Å; V400-L408 HydrophobicContact CB-CD2 4.14Å; V400-L408 HydrophobicContact CB-CG 4.34Å; V400-L408 WeakPolarHBondContact CG2-O 3.38Å; V400-I409 WeakPolarHBondContact CG2-O 3.42Å; V400-F411 HydrophobicContact CG1-CD1 4.08Å; V400-F411 HydrophobicContact CG1-CE1 4.08Å; V400-A424 HydrophobicContact CG1-CB 3.37Å
401	L	90.3	Very high	93.5	Very high	127 Å²	127	54 Å²	54	67%	0.665	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-58.3	-32.3	176.1	-67	173.9	0	0	0	112.3	N399 L403 G404	N399-L401 PolarHBondContact O-N 3.31Å; N399-L401 VanDerWaalsContact O-N 3.14Å; N399-L401 WeakPolarHBondContact OD1-CB 3.45Å; N399-L401 VanDerWaalsContact OD1-CG 3.22Å; N399-L401 WeakPolarHBondContact OD1-CG 3.44Å; N399-L401 PolarHBondContact OD1-N 3.38Å; L401-L403 PolarHBondContact O-N 3.37Å; L401-G404 PolarHBondContact O-N 3.15Å
402	H	90.5	Very high	93.6	Very high	152 Å²	152	53.8 Å²	53.8	70%	0.704	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-67.4	-13.6	177.6	-59.5	136.5	0	0	0	113.4	N399 V400 G404	N399-H402 WeakPolarHBondContact O-CB 3.46Å; N399-H402 PolarHBondContact O-N 2.62Å; N399-H402 VanDerWaalsContact O-N 3.11Å; N399-H402 PolarHBondContact O-ND1 3Å; V400-H402 PolarHBondContact O-N 2.86Å; H402-G404 VanDerWaalsContact C-N 3.27Å; H402-G404 PolarHBondContact O-N 3.29Å
403	L	93.5	Very high	93.7	Very high	17 Å²	17	53 Å²	53	9%	0.089	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-76.3	-14.7	177.2	-58.1	-176.9	0	0	0	113.1	F398 V400 L401 V405 L408 F411 L500 W503	F398-L403 HydrophobicContact CE2-CD2 3.98Å; F398-L403 HydrophobicContact CZ-CD1 4.05Å; F398-L403 HydrophobicContact CZ-CD2 3.76Å; F398-L403 HydrophobicContact CZ-CG 3.97Å; V400-L403 WeakPolarHBondContact O-CB 3.36Å; V400-L403 WeakPolarHBondContact O-CG 3.34Å; V400-L403 PolarHBondContact O-N 3.03Å; L401-L403 PolarHBondContact O-N 3.37Å; L403-V405 HydrophobicContact CB-CG2 4.02Å; L403-V405 PolarHBondContact O-N 3.13Å; L403-L408 HydrophobicContact CD1-CD2 4.17Å; L403-F411 HydrophobicContact CD1-CE1 3.85Å; L403-L500 HydrophobicContact CD1-CD1 3.8Å; L403-W503 HydrophobicContact CD1-CD2 4.44Å; L403-W503 HydrophobicContact CD1-CE3 4.23Å; L403-W503 HydrophobicContact CD1-CZ3 4.47Å; L403-W503 HydrophobicContact CD2-CD2 3.44Å; L403-W503 VanDerWaalsContact CD2-CD2 3.44Å; L403-W503 HydrophobicContact CD2-CE3 4.02Å; L403-W503 HydrophobicContact CD2-CG 3.74Å; L403-W503 HydrophobicContact CD2-CH2 4.28Å; L403-W503 HydrophobicContact CD2-CZ2 3.73Å; L403-W503 HydrophobicContact CD2-CZ3 4.41Å
404	G	93.9	Very high	93.8	Very high	55 Å²	55	48.6 Å²	48.6	57%	0.567	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	21.6	-175.9	0	0	0	0	0	113.7	L401 H402 H499	L401-G404 PolarHBondContact O-N 3.15Å; H402-G404 VanDerWaalsContact C-N 3.27Å; H402-G404 PolarHBondContact O-N 3.29Å; G404-H499 PolarHBondContact O-CE1 2.89Å; G404-H499 VanDerWaalsContact O-CE1 3.31Å
405	V	95.7	Very high	93.8	Very high	8 Å²	8	42.7 Å²	42.7	5%	0.048	25%	0.253	C	S	.	.			trans	-91.8	112.4	174.2	-175.9	0	0	0	0	108.3	L403 D407 L408 F484 R496 H499 L500	L403-V405 HydrophobicContact CB-CG2 4.02Å; L403-V405 PolarHBondContact O-N 3.13Å; V405-D407 PolarHBondContact O-N 3.38Å; V405-L408 HydrophobicContact CB-CB 3.99Å; V405-L408 HydrophobicContact CB-CD2 3.91Å; V405-L408 HydrophobicContact CG1-CB 3.88Å; V405-L408 HydrophobicContact CG1-CD2 4.12Å; V405-L408 HydrophobicContact CG2-CD2 4.37Å; V405-L408 WeakPolarHBondContact O-CB 3.33Å; V405-L408 PolarHBondContact O-N 3.38Å; V405-F484 HydrophobicContact CG1-CE1 4.35Å; V405-R496 HydrophobicContact CG1-CB 3.74Å; V405-R496 HydrophobicContact CG1-CG 4.25Å; V405-H499 HydrophobicContact CG2-CB 4.34Å; V405-L500 HydrophobicContact CG2-CB 4.33Å
406	A	94.5	Very high	93.9	Very high	54 Å²	54	45.8 Å²	45.8	45%	0.446	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	136.8	-176.1	0	0	0	0	0	112.6	L408 R496	A406-L408 PolarHBondContact O-N 2.99Å; A406-R496 VanDerWaalsContact O-CD 3.26Å; A406-R496 WeakPolarHBondContact O-CD 3.45Å; A406-R496 PolarHBondContact O-NE 3.3Å; A406-R496 PolarHBondContact O-NH1 3.16Å
407	D	94.2	Very high	94	Very high	80 Å²	80	46 Å²	46	43%	0.428	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	17.1	-178.5	-32.5	-44.4	0	0	0	116.7	V405 I409 F484 S485 R496	V405-D407 PolarHBondContact O-N 3.38Å; D407-I409 PolarHBondContact O-N 2.81Å; D407-F484 CarbonylContact O-C 3.57Å; D407-F484 WeakPolarHBondContact O-CA 3.32Å; D407-S485 PolarHBondContact O-N 3Å; D407-R496 VanDerWaalsContact CG-NH1 3.25Å; D407-R496 IonicContact OD2-CZ 2.63Å; D407-R496 IonicContact OD2-NH1 3.67Å; D407-R496 PolarHBondContact OD2-NH1 2.97Å; D407-R496 IonicContact OD2-NH2 3.22Å; D407-R496 PolarHBondContact OD2-NH2 3.44Å
408	L	96.7	Very high	94	Very high	7 Å²	7	46.9 Å²	46.9	4%	0.037	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	124.2	174.6	-179.4	66.6	0	0	0	109.5	V400 L403 V405 A406 F411 A482 F484 L500	V400-L408 HydrophobicContact CB-CD2 4.14Å; V400-L408 HydrophobicContact CB-CG 4.34Å; V400-L408 WeakPolarHBondContact CG2-O 3.38Å; L403-L408 HydrophobicContact CD1-CD2 4.17Å; V405-L408 HydrophobicContact CB-CB 3.99Å; V405-L408 HydrophobicContact CB-CD2 3.91Å; V405-L408 HydrophobicContact CG1-CB 3.88Å; V405-L408 HydrophobicContact CG1-CD2 4.12Å; V405-L408 HydrophobicContact CG2-CD2 4.37Å; V405-L408 WeakPolarHBondContact O-CB 3.33Å; V405-L408 PolarHBondContact O-N 3.38Å; A406-L408 PolarHBondContact O-N 2.99Å; L408-F411 HydrophobicContact CD1-CB 4.42Å; L408-F411 HydrophobicContact CD2-CD1 4.14Å; L408-A482 HydrophobicContact CD1-CB 4.11Å; L408-F484 HydrophobicContact CB-CD1 4.25Å; L408-F484 HydrophobicContact CB-CE1 4.11Å; L408-F484 HydrophobicContact CD1-CD1 4.13Å; L408-F484 HydrophobicContact CD1-CE1 3.66Å; L408-F484 HydrophobicContact CD1-CZ 4.09Å; L408-F484 HydrophobicContact CG-CE1 4.5Å; L408-L500 HydrophobicContact CD2-CD1 4.32Å
409	I	95.1	Very high	94.1	Very high	47 Å²	47	46.9 Å²	46.9	24%	0.241	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-48.7	178.6	-64	177.4	0	0	0	110	V400 D407 Y430 E468 V483 F484	V400-I409 WeakPolarHBondContact CG2-O 3.42Å; D407-I409 PolarHBondContact O-N 2.81Å; I409-Y430 HydrophobicContact CG2-CD2 4.1Å; I409-Y430 HydrophobicContact CG2-CE2 3.5Å; I409-Y430 VanDerWaalsContact CG2-CE2 3.5Å; I409-E468 HydrophobicContact CD1-CB 4.22Å; I409-V483 HydrophobicContact CB-CG1 4.12Å; I409-V483 WeakPolarHBondContact CB-O 3.31Å; I409-V483 HydrophobicContact CD1-CG1 4.34Å; I409-V483 HydrophobicContact CG2-CG1 4.33Å; I409-V483 PolarHBondContact N-O 3.06Å; I409-F484 VanDerWaalsContact CD1-C 3.48Å
410	H	96.3	Very high	94.4	Very high	3 Å²	3	45 Å²	45	1%	0.014	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	157.2	-177.1	-171.7	-96	0	0	0	110.5	A424 L440 Y444 V483	H410-A424 PolarHBondContact NE2-O 3.36Å; H410-L440 HydrophobicContact CB-CD2 4.32Å; H410-Y444 VanDerWaalsContact C-OH 3.26Å; H410-Y444 AromaticContact ND1-CE2 3.42Å; H410-Y444 WeakPolarHBondContact ND1-CE2 3.33Å; H410-Y444 AromaticContact ND1-CZ 3.43Å; H410-Y444 PolarHBondContact ND1-OH 3.43Å; H410-Y444 PolarHBondContact O-OH 3.18Å; H410-V483 PolarHBondContact N-O 3.31Å; H410-V483 PolarHBondContact O-N 2.86Å
411	F	97.1	Very high	94.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	158.1	173.1	73.5	-86.9	0	0	0	112.6	V400 L403 L408 C423 A424 Y444 Y481 A482 L500 W503 I504	V400-F411 HydrophobicContact CG1-CD1 4.08Å; V400-F411 HydrophobicContact CG1-CE1 4.08Å; L403-F411 HydrophobicContact CD1-CE1 3.85Å; L408-F411 HydrophobicContact CD1-CB 4.42Å; L408-F411 HydrophobicContact CD2-CD1 4.14Å; F411-C423 VanDerWaalsContact O-CA 3.26Å; F411-C423 WeakPolarHBondContact O-CA 3.35Å; F411-C423 WeakPolarHBondContact O-CB 3.14Å; F411-A424 HydrophobicContact CD1-CB 4.14Å; F411-A424 HydrophobicContact CE1-CB 3.91Å; F411-A424 PolarHBondContact O-N 3.41Å; F411-Y444 PolarHBondContact N-OH 2.99Å; F411-Y481 CarbonylContact C-O 3.52Å; F411-Y481 VanDerWaalsContact CA-O 3.25Å; F411-Y481 WeakPolarHBondContact CA-O 3.26Å; F411-A482 HydrophobicContact CB-CB 4.26Å; F411-L500 HydrophobicContact CB-CD2 3.73Å; F411-L500 HydrophobicContact CD1-CD1 4.02Å; F411-L500 HydrophobicContact CD1-CD2 4.2Å; F411-L500 HydrophobicContact CD2-CD1 4.35Å; F411-L500 HydrophobicContact CD2-CD2 3.99Å; F411-L500 HydrophobicContact CE1-CD1 3.98Å; F411-L500 HydrophobicContact CE2-CD1 4.33Å; F411-L500 HydrophobicContact CG-CD1 4.2Å; F411-L500 HydrophobicContact CG-CD2 3.7Å; F411-L500 HydrophobicContact CZ-CD1 4.15Å; F411-W503 HydrophobicContact CE2-CZ3 4.45Å; F411-W503 HydrophobicContact CZ-CH2 4.43Å; F411-W503 AromaticContact CZ-CZ3 3.76Å; F411-W503 HydrophobicContact CZ-CZ3 3.76Å; F411-I504 HydrophobicContact CD2-CD1 4.41Å; F411-I504 HydrophobicContact CE2-CD1 4.13Å
412	I	97	Very high	94.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.3	169.1	-51	164.6	0	0	0	107.6	F246 L250 Y421 C423 Y444 V480 Y481	F246-I412 HydrophobicContact CD1-CD1 3.46Å; F246-I412 VanDerWaalsContact CD1-CD1 3.46Å; F246-I412 HydrophobicContact CD2-CD1 3.66Å; F246-I412 HydrophobicContact CD2-CG1 3.99Å; F246-I412 HydrophobicContact CE1-CD1 3.37Å; F246-I412 HydrophobicContact CE2-CD1 3.59Å; F246-I412 HydrophobicContact CE2-CG1 3.89Å; F246-I412 HydrophobicContact CG-CD1 3.6Å; F246-I412 HydrophobicContact CG-CG1 4.35Å; F246-I412 HydrophobicContact CZ-CD1 3.44Å; F246-I412 VanDerWaalsContact CZ-CD1 3.44Å; F246-I412 HydrophobicContact CZ-CG1 4.17Å; L250-I412 HydrophobicContact CD1-CG2 3.67Å; I412-Y421 HydrophobicContact CG2-CD2 4.12Å; I412-C423 HydrophobicContact CB-CB 4.32Å; I412-C423 HydrophobicContact CG1-CB 3.95Å; I412-C423 HydrophobicContact CG2-CB 4.3Å; I412-Y444 HydrophobicContact CD1-CD1 3.39Å; I412-Y444 HydrophobicContact CD1-CD2 3.73Å; I412-Y444 HydrophobicContact CD1-CE1 3.64Å; I412-Y444 HydrophobicContact CD1-CE2 3.95Å; I412-Y444 HydrophobicContact CD1-CG 3.44Å; I412-Y444 VanDerWaalsContact CD1-CG 3.44Å; I412-Y444 HydrophobicContact CG1-CD1 4.21Å; I412-Y444 HydrophobicContact CG1-CE1 3.95Å; I412-Y444 HydrophobicContact CG1-CE2 4.33Å; I412-V480 WeakPolarHBondContact O-CA 3.33Å; I412-Y481 PolarHBondContact N-O 3.3Å; I412-Y481 PolarHBondContact O-N 2.93Å
413	Y	97.2	Very high	95	Very high	16 Å²	16	32.9 Å²	32.9	6%	0.063	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.1	175.6	175.3	-92.2	0	0	0	110.2	Q415 Y421 T422 F478 E479 V480 M501 I504 L512	Y413-Q415 HydrophobicContact CE1-CB 4.19Å; Y413-Y421 CarbonylContact O-C 3.44Å; Y413-Y421 WeakPolarHBondContact O-CA 3.43Å; Y413-Y421 VanDerWaalsContact O-CB 3.29Å; Y413-Y421 WeakPolarHBondContact O-CB 3.22Å; Y413-T422 HydrophobicContact CD1-CG2 4.45Å; Y413-T422 PolarHBondContact N-O 3.33Å; Y413-T422 PolarHBondContact O-N 2.85Å; Y413-F478 HydrophobicContact CD2-CB 4.46Å; Y413-F478 HydrophobicContact CD2-CD2 4.45Å; Y413-F478 HydrophobicContact CE2-CB 3.45Å; Y413-F478 VanDerWaalsContact CE2-CB 3.45Å; Y413-F478 AromaticContact CE2-CD2 3.84Å; Y413-F478 HydrophobicContact CE2-CD2 3.84Å; Y413-F478 AromaticContact CE2-CG 3.74Å; Y413-F478 HydrophobicContact CE2-CG 3.74Å; Y413-F478 WeakPolarHBondContact OH-CB 3.45Å; Y413-E479 WeakPolarHBondContact CA-O 3.18Å; Y413-V480 HydrophobicContact CD2-CB 4.12Å; Y413-V480 HydrophobicContact CD2-CG2 4.37Å; Y413-M501 HydrophobicContact CD2-CE 4.32Å; Y413-M501 HydrophobicContact CD2-SD 3.85Å; Y413-M501 HydrophobicContact CE2-CE 3.51Å; Y413-M501 HydrophobicContact CE2-SD 3.66Å; Y413-I504 HydrophobicContact CD1-CD1 4.45Å; Y413-I504 HydrophobicContact CD1-CG2 3.82Å; Y413-I504 HydrophobicContact CD2-CD1 3.73Å; Y413-I504 HydrophobicContact CD2-CG2 4.26Å; Y413-I504 HydrophobicContact CE1-CG2 3.72Å; Y413-I504 HydrophobicContact CE2-CD1 4.49Å; Y413-I504 HydrophobicContact CE2-CG2 4.2Å; Y413-I504 HydrophobicContact CG-CD1 3.69Å; Y413-I504 HydrophobicContact CG-CG2 4.06Å; Y413-L512 HydrophobicContact CD1-CD1 3.43Å; Y413-L512 VanDerWaalsContact CD1-CD1 3.43Å; Y413-L512 HydrophobicContact CE1-CD1 3.31Å
414	K	96.7	Very high	94.9	Very high	23 Å²	23	32.3 Å²	32.3	10%	0.1	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.7	177.1	177	-168.1	174.1	-175.4	0	109.7	L250 A252 Q420 F478 E479	L250-K414 HydrophobicContact CB-CD 4.14Å; L250-K414 HydrophobicContact CD1-CB 4.48Å; L250-K414 HydrophobicContact CD2-CD 4.22Å; L250-K414 WeakPolarHBondContact O-CE 3.17Å; L250-K414 PolarHBondContact O-NZ 3.35Å; A252-K414 HydrophobicContact CB-CD 4.46Å; A252-K414 HydrophobicContact CB-CG 4.21Å; K414-Q420 CarbonylContact C-O 3.37Å; K414-Q420 WeakPolarHBondContact CA-O 3.25Å; K414-F478 CarbonylContact O-C 3.57Å; K414-F478 VanDerWaalsContact O-CA 3.23Å; K414-F478 WeakPolarHBondContact O-CA 3.28Å; K414-F478 WeakPolarHBondContact O-CB 3.32Å; K414-E479 HydrophobicContact CB-CB 4.22Å; K414-E479 HydrophobicContact CD-CB 4.46Å; K414-E479 HydrophobicContact CD-CG 4.2Å; K414-E479 WeakPolarHBondContact CD-OE1 3.13Å; K414-E479 PolarHBondContact N-O 3.33Å; K414-E479 IonicContact NZ-OE1 3.52Å; K414-E479 PolarHBondContact NZ-OE1 2.72Å; K414-E479 PolarHBondContact O-N 3.14Å
415	Q	95.1	Very high	94.7	Very high	16 Å²	16	31.8 Å²	31.8	8%	0.075	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	110.6	166.1	-175.2	167.9	21.7	0	0	109.3	Y413 R418 C419 Q420 E508 L512	Y413-Q415 HydrophobicContact CE1-CB 4.19Å; Q415-R418 HydrophobicContact CG-CB 4.37Å; Q415-R418 HydrophobicContact CG-CG 4.44Å; Q415-R418 PolarHBondContact O-N 2.89Å; Q415-C419 PolarHBondContact O-N 3.28Å; Q415-C419 VanDerWaalsContact O-N 3.16Å; Q415-Q420 PolarHBondContact N-O 2.75Å; Q415-Q420 PolarHBondContact O-N 3.02Å; Q415-E508 PolarHBondContact NE2-OE1 3.01Å; Q415-L512 HydrophobicContact CB-CD1 4.26Å
416	R	93.9	Very high	94.4	Very high	95 Å²	95	33.9 Å²	33.9	36%	0.358	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-68.9	-40.4	-170.7	-64.8	-176.8	71.6	176.9	2.3	112.6	R418 C419 T475 H477 E479	R416-R418 PolarHBondContact O-N 3.45Å; R416-C419 PolarHBondContact O-N 2.99Å; R416-T475 WeakPolarHBondContact CD-O 3.46Å; R416-T475 PolarHBondContact NH1-O 3Å; R416-H477 WeakPolarHBondContact CB-O 3.43Å; R416-H477 PolarHBondContact N-O 3.26Å; R416-E479 HydrophobicContact CG-CG 3.9Å; R416-E479 IonicContact NE-OE1 3.3Å
417	S	91.5	Very high	94.1	Very high	95 Å²	95	32.9 Å²	32.9	66%	0.664	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-60.7	-26.9	-178.9	55.3	0	0	0	0	113.7
418	R	90.6	Very high	93.6	Very high	89 Å²	89	33.4 Å²	33.4	34%	0.336	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-107.1	-6.4	-178	-67.5	-173.4	174.4	168.9	-3.3	114.1	Q415 R416 Q420 L512 S513	Q415-R418 HydrophobicContact CG-CB 4.37Å; Q415-R418 HydrophobicContact CG-CG 4.44Å; Q415-R418 PolarHBondContact O-N 2.89Å; R416-R418 PolarHBondContact O-N 3.45Å; R418-Q420 HydrophobicContact CB-CB 4.28Å; R418-Q420 HydrophobicContact CB-CG 4.12Å; R418-Q420 PolarHBondContact O-N 2.71Å; R418-L512 PolarHBondContact NH1-O 2.87Å; R418-S513 VanDerWaalsContact NH1-CA 3.31Å; R418-S513 PolarHBondContact NH1-OG 3.4Å
419	C	94.1	Very high	93	Very high	40 Å²	40	37 Å²	37	27%	0.27	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	43.7	-169.7	-58.6	0	0	0	0	111.8	A252 I253 P304 Q415 R416	A252-C419 CarbonylContact C-O 3.55Å; A252-C419 WeakPolarHBondContact CA-O 3.5Å; A252-C419 WeakPolarHBondContact CB-O 3.33Å; I253-C419 PolarHBondContact N-O 3.43Å; P304-C419 HydrophobicContact CG-CB 3.68Å; Q415-C419 PolarHBondContact O-N 3.28Å; Q415-C419 VanDerWaalsContact O-N 3.16Å; R416-C419 PolarHBondContact O-N 2.99Å
420	Q	95.6	Very high	92.7	Very high	13 Å²	13	35.4 Å²	35.4	6%	0.061	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	148.4	178.7	-72.6	169.3	32.2	0	0	109.5	I253 C255 K414 Q415 R418 L512	I253-Q420 WeakPolarHBondContact O-CA 3.27Å; C255-Q420 PolarHBondContact SG-OE1 3.17Å; K414-Q420 CarbonylContact C-O 3.37Å; K414-Q420 WeakPolarHBondContact CA-O 3.25Å; Q415-Q420 PolarHBondContact N-O 2.75Å; Q415-Q420 PolarHBondContact O-N 3.02Å; R418-Q420 HydrophobicContact CB-CB 4.28Å; R418-Q420 HydrophobicContact CB-CG 4.12Å; R418-Q420 PolarHBondContact O-N 2.71Å; Q420-L512 HydrophobicContact CB-CD2 4.1Å; Q420-L512 PolarHBondContact OE1-O 3.42Å
421	Y	96.4	Very high	92.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	160.6	175.1	81.3	-81	0	0	0	111.8	D245 F246 S247 L250 A252 I253 I412 Y413	D245-Y421 VanDerWaalsContact CG-OH 3.29Å; D245-Y421 PolarHBondContact OD1-OH 3.48Å; D245-Y421 PolarHBondContact OD2-OH 3.42Å; F246-Y421 HydrophobicContact CB-CD2 4.41Å; F246-Y421 HydrophobicContact CB-CE2 3.84Å; F246-Y421 HydrophobicContact CD2-CE2 4.36Å; S247-Y421 PolarHBondContact N-OH 3.25Å; S247-Y421 VanDerWaalsContact OG-CE1 3.3Å; S247-Y421 WeakPolarHBondContact OG-CE1 3.38Å; S247-Y421 PolarHBondContact OG-OH 3.38Å; L250-Y421 HydrophobicContact CD1-CD1 4.24Å; L250-Y421 HydrophobicContact CD1-CD2 3.83Å; L250-Y421 HydrophobicContact CD1-CE2 4.47Å; L250-Y421 HydrophobicContact CD1-CG 3.69Å; A252-Y421 HydrophobicContact CB-CD1 3.71Å; A252-Y421 HydrophobicContact CB-CG 4.4Å; I253-Y421 PolarHBondContact O-N 2.89Å; I412-Y421 HydrophobicContact CG2-CD2 4.12Å; Y413-Y421 CarbonylContact O-C 3.44Å; Y413-Y421 WeakPolarHBondContact O-CA 3.43Å; Y413-Y421 VanDerWaalsContact O-CB 3.29Å; Y413-Y421 WeakPolarHBondContact O-CB 3.22Å
422	T	95.3	Very high	91.6	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.025	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	147.2	171.4	-169.9	0	0	0	0	108.4	Y413 L511 L512	Y413-T422 HydrophobicContact CD1-CG2 4.45Å; Y413-T422 PolarHBondContact N-O 3.33Å; Y413-T422 PolarHBondContact O-N 2.85Å; T422-L511 HydrophobicContact CG2-CB 4.33Å; T422-L511 HydrophobicContact CG2-CD1 4.36Å; T422-L512 HydrophobicContact CG2-CD1 4.32Å; T422-L512 HydrophobicContact CG2-CD2 4.15Å; T422-L512 HydrophobicContact CG2-CG 4.34Å
423	C	94.5	Very high	91.2	Very high	28 Å²	28	44 Å²	44	19%	0.189	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	152.6	173	61.8	0	0	0	0	108.7	F246 R395 F411 I412	F246-C423 HydrophobicContact CD2-CB 4.41Å; F246-C423 HydrophobicContact CE2-CB 4.48Å; R395-C423 PolarHBondContact NH2-O 3.1Å; F411-C423 VanDerWaalsContact O-CA 3.26Å; F411-C423 WeakPolarHBondContact O-CA 3.35Å; F411-C423 WeakPolarHBondContact O-CB 3.14Å; I412-C423 HydrophobicContact CB-CB 4.32Å; I412-C423 HydrophobicContact CG1-CB 3.95Å; I412-C423 HydrophobicContact CG2-CB 4.3Å
424	A	90.9	Very high	90.8	Very high	4 Å²	4	46.9 Å²	46.9	3%	0.033	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-60.8	154.5	171.3	0	0	0	0	0	110.5	F398 V400 H410 F411	F398-A424 HydrophobicContact CE1-CB 4.17Å; V400-A424 HydrophobicContact CG1-CB 3.37Å; H410-A424 PolarHBondContact NE2-O 3.36Å; F411-A424 HydrophobicContact CD1-CB 4.14Å; F411-A424 HydrophobicContact CE1-CB 3.91Å; F411-A424 PolarHBondContact O-N 3.41Å
425	P	90.8	Very high	90.4	Very high	44 Å²	44	48.5 Å²	48.5	29%	0.286	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-58.6	144.2	158.8	-17.7	32.5	0	0	0	109.2	R395 F398	R395-P425 WeakPolarHBondContact O-CG 3.34Å; F398-P425 HydrophobicContact CB-CG 4.4Å
426	M	89.5	Confident	90.2	Very high	53 Å²	53	51.3 Å²	51.3	26%	0.261	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-64.6	142.4	171.3	-72.3	-179	160.7	0	0	109.6	A431 E437 L440	M426-A431 HydrophobicContact CB-CB 4.24Å; M426-A431 WeakPolarHBondContact O-CB 3.22Å; M426-E437 HydrophobicContact CE-CB 4.32Å; M426-E437 HydrophobicContact SD-CB 3.99Å; M426-E437 HydrophobicContact SD-CG 3.62Å; M426-L440 HydrophobicContact CE-CB 4.32Å; M426-L440 HydrophobicContact CE-CD2 4Å; M426-L440 HydrophobicContact CE-CG 4.3Å
427	A	87.1	Confident	90.1	Very high	33 Å²	33	50 Å²	50	27%	0.273	32%	0.32	S	S	.	.			trans	-117.8	166	174.1	0	0	0	0	0	110	Y430 A431	A427-Y430 WeakPolarHBondContact O-CB 3.43Å; A427-Y430 PolarHBondContact O-N 3.3Å; A427-A431 PolarHBondContact O-N 2.98Å
428	A	84	Confident	90	Very high	90 Å²	90	47.6 Å²	47.6	74%	0.744	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	143.9	173.9	0	0	0	0	0	111.2
429	P	85.4	Confident	90.1	Very high	84 Å²	84	44.3 Å²	44.3	55%	0.545	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	cis	-84.1	1.2	5.1	35.7	-37.3	0	0	0	114.6
430	Y	88.1	Confident	90	Very high	12 Å²	12	42.4 Å²	42.4	5%	0.047	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-43.7	-175.5	-56.2	-84.4	0	0	0	112.7	I409 A427 G432 D433 F436 E437 Y439 L440 E468	I409-Y430 HydrophobicContact CG2-CD2 4.1Å; I409-Y430 HydrophobicContact CG2-CE2 3.5Å; I409-Y430 VanDerWaalsContact CG2-CE2 3.5Å; A427-Y430 WeakPolarHBondContact O-CB 3.43Å; A427-Y430 PolarHBondContact O-N 3.3Å; Y430-G432 PolarHBondContact O-N 2.66Å; Y430-D433 PolarHBondContact O-N 2.82Å; Y430-F436 HydrophobicContact CD1-CB 4Å; Y430-E437 WeakPolarHBondContact O-CG 3.29Å; Y430-Y439 HydrophobicContact CE1-CD1 4.29Å; Y430-L440 HydrophobicContact CD1-CB 3.64Å; Y430-L440 HydrophobicContact CD1-CD2 3.68Å; Y430-L440 HydrophobicContact CD1-CG 4.18Å; Y430-L440 HydrophobicContact CD2-CD2 4.07Å; Y430-L440 HydrophobicContact CE1-CB 3.84Å; Y430-L440 HydrophobicContact CE1-CD1 4.28Å; Y430-L440 HydrophobicContact CE1-CD2 4.02Å; Y430-L440 HydrophobicContact CE1-CG 4.26Å; Y430-L440 HydrophobicContact CE2-CD2 4.4Å; Y430-L440 HydrophobicContact CG-CB 4.46Å; Y430-L440 HydrophobicContact CG-CD2 3.69Å; Y430-E468 PolarHBondContact OH-OE2 3.19Å
431	A	86.4	Confident	90	Very high	46 Å²	46	42.5 Å²	42.5	38%	0.38	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	128.6	-176.7	0	0	0	0	0	112.5	M426 A427 D433	M426-A431 HydrophobicContact CB-CB 4.24Å; M426-A431 WeakPolarHBondContact O-CB 3.22Å; A427-A431 PolarHBondContact O-N 2.98Å; A431-D433 VanDerWaalsContact C-N 3.3Å; A431-D433 PolarHBondContact O-N 3.25Å
432	G	84.3	Confident	89.8	Confident	79 Å²	79	42.6 Å²	42.6	81%	0.814	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-3.3	172.7	0	0	0	0	0	115	Y430 E437	Y430-G432 PolarHBondContact O-N 2.66Å; G432-E437 PolarHBondContact N-OE1 3.21Å
433	D	88.3	Confident	89.8	Confident	59 Å²	59	42.6 Å²	42.6	32%	0.316	28%	0.283	S	S	.	.			trans	-113	107.7	170.2	-174.7	-41	0	0	0	109.6	Y430 A431 N435 F436 E437	Y430-D433 PolarHBondContact O-N 2.82Å; A431-D433 VanDerWaalsContact C-N 3.3Å; A431-D433 PolarHBondContact O-N 3.25Å; D433-N435 PolarHBondContact O-N 3.24Å; D433-N435 WeakPolarHBondContact OD1-CA 3.06Å; D433-N435 VanDerWaalsContact OD1-CB 3.31Å; D433-N435 WeakPolarHBondContact OD1-CB 3.2Å; D433-N435 PolarHBondContact OD1-N 3.05Å; D433-F436 HydrophobicContact CB-CB 4.25Å; D433-F436 HydrophobicContact CB-CD2 3.83Å; D433-F436 PolarHBondContact O-N 3.14Å; D433-F436 PolarHBondContact OD1-N 3.44Å; D433-F436 WeakPolarHBondContact OD2-CD2 3.4Å; D433-E437 WeakPolarHBondContact O-CG 3.49Å; D433-E437 PolarHBondContact O-N 3.02Å
434	S	87.4	Confident	89.8	Confident	77 Å²	77	41.3 Å²	41.3	54%	0.538	27%	0.274	S	S	.	.	H	α-helix	trans	-56.7	-28.7	-176.5	56.9	0	0	0	0	114	A438	S434-A438 WeakPolarHBondContact O-CB 3.32Å; S434-A438 PolarHBondContact O-N 3.04Å
435	N	88.7	Confident	90.1	Very high	57 Å²	57	41.3 Å²	41.3	31%	0.305	27%	0.274	S	S	.	.	H	α-helix	trans	-75	-43.3	178.8	-64.2	-35.3	0	0	0	110.8	D433 A438 Y439	D433-N435 PolarHBondContact O-N 3.24Å; D433-N435 WeakPolarHBondContact OD1-CA 3.06Å; D433-N435 VanDerWaalsContact OD1-CB 3.31Å; D433-N435 WeakPolarHBondContact OD1-CB 3.2Å; D433-N435 PolarHBondContact OD1-N 3.05Å; N435-A438 PolarHBondContact O-N 3.22Å; N435-Y439 VanDerWaalsContact O-CB 3.27Å; N435-Y439 WeakPolarHBondContact O-CB 3.3Å; N435-Y439 PolarHBondContact O-N 3.38Å
436	F	91.1	Very high	90.2	Very high	76 Å²	76	39.8 Å²	39.8	33%	0.333	27%	0.265	S	S	.	.	H	α-helix	trans	-68.4	-37.9	175.2	-76.3	-66.1	0	0	0	112	Y430 D433 Y439 L440 L467	Y430-F436 HydrophobicContact CD1-CB 4Å; D433-F436 HydrophobicContact CB-CB 4.25Å; D433-F436 HydrophobicContact CB-CD2 3.83Å; D433-F436 PolarHBondContact O-N 3.14Å; D433-F436 PolarHBondContact OD1-N 3.44Å; D433-F436 WeakPolarHBondContact OD2-CD2 3.4Å; F436-Y439 PolarHBondContact O-N 2.88Å; F436-L440 WeakPolarHBondContact O-CB 3.4Å; F436-L440 PolarHBondContact O-N 3.15Å; F436-L467 HydrophobicContact CE1-CD1 4.43Å
437	E	91.2	Very high	90.4	Very high	66 Å²	66	37.3 Å²	37.3	31%	0.308	25%	0.253	S	S	.	.	H	α-helix	trans	-60.5	-48.9	173.7	-64.6	-176.9	172.9	0	0	111.2	M426 Y430 G432 D433 Y439 L440 F441	M426-E437 HydrophobicContact CE-CB 4.32Å; M426-E437 HydrophobicContact SD-CB 3.99Å; M426-E437 HydrophobicContact SD-CG 3.62Å; Y430-E437 WeakPolarHBondContact O-CG 3.29Å; G432-E437 PolarHBondContact N-OE1 3.21Å; D433-E437 WeakPolarHBondContact O-CG 3.49Å; D433-E437 PolarHBondContact O-N 3.02Å; E437-Y439 VanDerWaalsContact C-N 3.34Å; E437-Y439 PolarHBondContact O-N 2.87Å; E437-L440 PolarHBondContact O-N 2.94Å; E437-F441 WeakPolarHBondContact O-CB 3.4Å; E437-F441 PolarHBondContact O-N 3.38Å
438	A	90.9	Very high	90.8	Very high	46 Å²	46	35.9 Å²	35.9	38%	0.38	24%	0.241	S	C	.	.	H	α-helix	trans	-63.3	-39.4	177.4	0	0	0	0	0	112.2	S434 N435 G442	S434-A438 WeakPolarHBondContact O-CB 3.32Å; S434-A438 PolarHBondContact O-N 3.04Å; N435-A438 PolarHBondContact O-N 3.22Å; A438-G442 PolarHBondContact O-N 3.38Å
439	Y	91.9	Very high	91.3	Very high	19 Å²	19	31.8 Å²	31.8	8%	0.075	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-53.2	174.6	169.1	-106.3	0	0	0	111.3	F80 V84 Y430 N435 F436 E437 F441 G442 R443 L467 E468	F80-Y439 AromaticContact CD1-CD2 3.99Å; F80-Y439 HydrophobicContact CD1-CD2 3.99Å; F80-Y439 HydrophobicContact CD1-CE2 4.36Å; F80-Y439 HydrophobicContact CE1-CD2 4.42Å; V84-Y439 HydrophobicContact CG2-CD2 3.42Å; V84-Y439 VanDerWaalsContact CG2-CD2 3.42Å; V84-Y439 HydrophobicContact CG2-CE2 4.21Å; V84-Y439 HydrophobicContact CG2-CG 4.15Å; Y430-Y439 HydrophobicContact CE1-CD1 4.29Å; N435-Y439 VanDerWaalsContact O-CB 3.27Å; N435-Y439 WeakPolarHBondContact O-CB 3.3Å; N435-Y439 PolarHBondContact O-N 3.38Å; F436-Y439 PolarHBondContact O-N 2.88Å; E437-Y439 VanDerWaalsContact C-N 3.34Å; E437-Y439 PolarHBondContact O-N 2.87Å; Y439-F441 VanDerWaalsContact C-N 3.33Å; Y439-F441 PolarHBondContact O-N 2.84Å; Y439-G442 WeakPolarHBondContact O-CA 3.47Å; Y439-G442 PolarHBondContact O-N 2.59Å; Y439-R443 HydrophobicContact CE1-CG 4.12Å; Y439-R443 HydrophobicContact CE2-CG 4.23Å; Y439-R443 WeakPolarHBondContact O-CG 3.47Å; Y439-R443 PolarHBondContact O-N 2.85Å; Y439-L467 HydrophobicContact CD1-CD1 4.48Å; Y439-L467 HydrophobicContact CE1-CB 4.4Å; Y439-L467 HydrophobicContact CE1-CD1 3.83Å; Y439-E468 WeakPolarHBondContact CE1-OE1 3.49Å; Y439-E468 VanDerWaalsContact CE1-OE2 3.23Å; Y439-E468 WeakPolarHBondContact CE1-OE2 3.34Å; Y439-E468 PolarHBondContact OH-OE1 2.82Å; Y439-E468 PolarHBondContact OH-OE2 2.87Å
440	L	92.8	Very high	91.6	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-62.5	-41.1	-179.6	-178.3	56.4	0	0	0	111.6	H410 M426 Y430 F436 E437 G442 R443 Y444 V483	H410-L440 HydrophobicContact CB-CD2 4.32Å; M426-L440 HydrophobicContact CE-CB 4.32Å; M426-L440 HydrophobicContact CE-CD2 4Å; M426-L440 HydrophobicContact CE-CG 4.3Å; Y430-L440 HydrophobicContact CD1-CB 3.64Å; Y430-L440 HydrophobicContact CD1-CD2 3.68Å; Y430-L440 HydrophobicContact CD1-CG 4.18Å; Y430-L440 HydrophobicContact CD2-CD2 4.07Å; Y430-L440 HydrophobicContact CE1-CB 3.84Å; Y430-L440 HydrophobicContact CE1-CD1 4.28Å; Y430-L440 HydrophobicContact CE1-CD2 4.02Å; Y430-L440 HydrophobicContact CE1-CG 4.26Å; Y430-L440 HydrophobicContact CE2-CD2 4.4Å; Y430-L440 HydrophobicContact CG-CB 4.46Å; Y430-L440 HydrophobicContact CG-CD2 3.69Å; F436-L440 WeakPolarHBondContact O-CB 3.4Å; F436-L440 PolarHBondContact O-N 3.15Å; E437-L440 PolarHBondContact O-N 2.94Å; L440-G442 VanDerWaalsContact C-N 3.29Å; L440-G442 PolarHBondContact O-N 2.87Å; L440-R443 WeakPolarHBondContact O-CB 3.46Å; L440-R443 PolarHBondContact O-N 3.34Å; L440-Y444 HydrophobicContact CD1-CD2 4.24Å; L440-Y444 HydrophobicContact CD1-CE2 3.79Å; L440-Y444 HydrophobicContact CD2-CE2 4.45Å; L440-Y444 HydrophobicContact CG-CD2 4.2Å; L440-Y444 HydrophobicContact CG-CE2 3.86Å; L440-Y444 WeakPolarHBondContact O-CD2 3.32Å; L440-Y444 PolarHBondContact O-N 3.48Å; L440-Y444 VanDerWaalsContact O-N 3.15Å; L440-V483 HydrophobicContact CD1-CB 4.42Å; L440-V483 HydrophobicContact CD1-CG1 4.11Å; L440-V483 HydrophobicContact CD1-CG2 3.93Å
441	F	94.2	Very high	91.9	Very high	14 Å²	14	30.5 Å²	30.5	6%	0.061	19%	0.193	C	C	.	.	H	α-helix	trans	-55.6	-46.9	171.3	-179.2	-87.9	0	0	0	111.2	A242 E243 D245 F246 E437 Y439 R443 Y444 A445	A242-F441 WeakPolarHBondContact O-CZ 3.38Å; E243-F441 WeakPolarHBondContact O-CD1 3.5Å; E243-F441 WeakPolarHBondContact O-CE1 3.26Å; E243-F441 VanDerWaalsContact O-CG 3.3Å; E243-F441 WeakPolarHBondContact O-CG 3.33Å; D245-F441 WeakPolarHBondContact O-CE2 3.36Å; F246-F441 AromaticContact CD1-CD2 3.8Å; F246-F441 HydrophobicContact CD1-CD2 3.8Å; F246-F441 AromaticContact CD1-CE2 3.67Å; F246-F441 HydrophobicContact CD1-CE2 3.67Å; F246-F441 AromaticContact CE1-CD2 3.4Å; F246-F441 HydrophobicContact CE1-CD2 3.4Å; F246-F441 VanDerWaalsContact CE1-CD2 3.4Å; F246-F441 AromaticContact CE1-CE2 3.8Å; F246-F441 HydrophobicContact CE1-CE2 3.8Å; F246-F441 HydrophobicContact CE1-CG 4.3Å; F246-F441 HydrophobicContact CZ-CD2 4.1Å; E437-F441 WeakPolarHBondContact O-CB 3.4Å; E437-F441 PolarHBondContact O-N 3.38Å; Y439-F441 VanDerWaalsContact C-N 3.33Å; Y439-F441 PolarHBondContact O-N 2.84Å; F441-R443 VanDerWaalsContact C-N 3.31Å; F441-R443 PolarHBondContact O-N 3.1Å; F441-Y444 WeakPolarHBondContact O-CB 3.43Å; F441-Y444 PolarHBondContact O-N 2.8Å; F441-Y444 VanDerWaalsContact O-N 3.12Å; F441-A445 HydrophobicContact CD1-CB 4.45Å; F441-A445 HydrophobicContact CE1-CB 4.19Å; F441-A445 WeakPolarHBondContact O-CB 3.35Å; F441-A445 PolarHBondContact O-N 3.4Å
442	G	93.9	Very high	92.1	Very high	3 Å²	3	31.5 Å²	31.5	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-56.6	-39.6	175.5	0	0	0	0	0	114.2	A438 Y439 L440 A445 A446	A438-G442 PolarHBondContact O-N 3.38Å; Y439-G442 WeakPolarHBondContact O-CA 3.47Å; Y439-G442 PolarHBondContact O-N 2.59Å; L440-G442 VanDerWaalsContact C-N 3.29Å; L440-G442 PolarHBondContact O-N 2.87Å; G442-A445 PolarHBondContact O-N 2.8Å; G442-A446 WeakPolarHBondContact O-CB 3.24Å; G442-A446 PolarHBondContact O-N 2.86Å
443	R	93.9	Very high	92.3	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.015	17%	0.174	C	C	.	.	H	α-helix	trans	-61.5	-45.2	174.1	-59.7	-62.5	-68.4	143.7	1	111.6	C77 Y439 L440 F441 A447 E468 I470	C77-R443 PolarHBondContact SG-NH1 2.92Å; C77-R443 VanDerWaalsContact SG-NH1 3.42Å; Y439-R443 HydrophobicContact CE1-CG 4.12Å; Y439-R443 HydrophobicContact CE2-CG 4.23Å; Y439-R443 WeakPolarHBondContact O-CG 3.47Å; Y439-R443 PolarHBondContact O-N 2.85Å; L440-R443 WeakPolarHBondContact O-CB 3.46Å; L440-R443 PolarHBondContact O-N 3.34Å; F441-R443 VanDerWaalsContact C-N 3.31Å; F441-R443 PolarHBondContact O-N 3.1Å; R443-A447 PolarHBondContact O-N 2.91Å; R443-A447 VanDerWaalsContact O-N 3.07Å; R443-E468 WeakPolarHBondContact CD-OE1 3.29Å; R443-E468 WeakPolarHBondContact CG-OE1 3.23Å; R443-E468 IonicContact CZ-OE1 3.93Å; R443-E468 IonicContact NE-OE1 3.87Å; R443-E468 PolarHBondContact NE-OE1 2.87Å; R443-I470 HydrophobicContact CB-CD1 4.4Å
444	Y	95.9	Very high	91.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.3	-43.8	174.1	-75.5	-65.6	0	0	0	112.2	F246 H410 F411 I412 L440 F441 A446 A447 H448 I470 Y481 V483	F246-Y444 AromaticContact CE1-CD2 3.85Å; F246-Y444 HydrophobicContact CE1-CD2 3.85Å; F246-Y444 HydrophobicContact CE1-CG 4.07Å; F246-Y444 AromaticContact CZ-CD2 3.81Å; F246-Y444 HydrophobicContact CZ-CD2 3.81Å; F246-Y444 HydrophobicContact CZ-CE2 4.28Å; F246-Y444 HydrophobicContact CZ-CG 4.43Å; H410-Y444 VanDerWaalsContact C-OH 3.26Å; H410-Y444 AromaticContact ND1-CE2 3.42Å; H410-Y444 WeakPolarHBondContact ND1-CE2 3.33Å; H410-Y444 AromaticContact ND1-CZ 3.43Å; H410-Y444 PolarHBondContact ND1-OH 3.43Å; H410-Y444 PolarHBondContact O-OH 3.18Å; F411-Y444 PolarHBondContact N-OH 2.99Å; I412-Y444 HydrophobicContact CD1-CD1 3.39Å; I412-Y444 HydrophobicContact CD1-CD2 3.73Å; I412-Y444 HydrophobicContact CD1-CE1 3.64Å; I412-Y444 HydrophobicContact CD1-CE2 3.95Å; I412-Y444 HydrophobicContact CD1-CG 3.44Å; I412-Y444 VanDerWaalsContact CD1-CG 3.44Å; I412-Y444 HydrophobicContact CG1-CD1 4.21Å; I412-Y444 HydrophobicContact CG1-CE1 3.95Å; I412-Y444 HydrophobicContact CG1-CE2 4.33Å; L440-Y444 HydrophobicContact CD1-CD2 4.24Å; L440-Y444 HydrophobicContact CD1-CE2 3.79Å; L440-Y444 HydrophobicContact CD2-CE2 4.45Å; L440-Y444 HydrophobicContact CG-CD2 4.2Å; L440-Y444 HydrophobicContact CG-CE2 3.86Å; L440-Y444 WeakPolarHBondContact O-CD2 3.32Å; L440-Y444 PolarHBondContact O-N 3.48Å; L440-Y444 VanDerWaalsContact O-N 3.15Å; F441-Y444 WeakPolarHBondContact O-CB 3.43Å; F441-Y444 PolarHBondContact O-N 2.8Å; F441-Y444 VanDerWaalsContact O-N 3.12Å; Y444-A446 VanDerWaalsContact C-N 3.34Å; Y444-A446 PolarHBondContact O-N 2.96Å; Y444-A447 PolarHBondContact O-N 3.22Å; Y444-H448 VanDerWaalsContact O-CB 3.23Å; Y444-H448 WeakPolarHBondContact O-CB 3.13Å; Y444-H448 PolarHBondContact O-N 3.46Å; Y444-I470 HydrophobicContact CD1-CD1 3.7Å; Y444-I470 HydrophobicContact CE1-CD1 4Å; Y444-I470 HydrophobicContact CG-CD1 4.29Å; Y444-Y481 HydrophobicContact CD1-CG 4.37Å; Y444-V483 HydrophobicContact CE1-CG2 3.81Å; Y444-V483 HydrophobicContact CE2-CG2 4Å; Y444-V483 VanDerWaalsContact CZ-CG2 3.43Å; Y444-V483 VanDerWaalsContact OH-CG2 3.27Å; Y444-V483 WeakPolarHBondContact OH-CG2 3.17Å
445	A	95.4	Very high	91.1	Very high	4 Å²	4	45 Å²	45	3%	0.033	22%	0.215	C	C	.	.	H	α-helix	trans	-61.7	-41	178.6	0	0	0	0	0	112.3	Q191 M249 F441 G442 G449	Q191-A445 PolarHBondContact NE2-O 3.05Å; M249-A445 VanDerWaalsContact SD-CA 3.52Å; M249-A445 HydrophobicContact SD-CB 3.97Å; F441-A445 HydrophobicContact CD1-CB 4.45Å; F441-A445 HydrophobicContact CE1-CB 4.19Å; F441-A445 WeakPolarHBondContact O-CB 3.35Å; F441-A445 PolarHBondContact O-N 3.4Å; G442-A445 PolarHBondContact O-N 2.8Å; A445-G449 WeakPolarHBondContact O-CA 3.47Å; A445-G449 PolarHBondContact O-N 3.47Å
446	A	93.5	Very high	90.6	Very high	13 Å²	13	44.5 Å²	44.5	11%	0.107	21%	0.211	C	C	.	.	H	α-helix	trans	-65.8	-46.5	175.4	0	0	0	0	0	112.1	G442 Y444 G449 Y450	G442-A446 WeakPolarHBondContact O-CB 3.24Å; G442-A446 PolarHBondContact O-N 2.86Å; Y444-A446 VanDerWaalsContact C-N 3.34Å; Y444-A446 PolarHBondContact O-N 2.96Å; A446-G449 PolarHBondContact O-N 3.4Å; A446-Y450 WeakPolarHBondContact O-CB 3.43Å; A446-Y450 PolarHBondContact O-N 3.22Å
447	A	94.8	Very high	89.9	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-48.2	177	0	0	0	0	0	111.5	R443 Y444 Y450 M451 Y461 I470 Y481	R443-A447 PolarHBondContact O-N 2.91Å; R443-A447 VanDerWaalsContact O-N 3.07Å; Y444-A447 PolarHBondContact O-N 3.22Å; A447-Y450 PolarHBondContact O-N 3.02Å; A447-M451 VanDerWaalsContact O-CG 3.28Å; A447-M451 WeakPolarHBondContact O-CG 3.33Å; A447-M451 PolarHBondContact O-N 3.26Å; A447-Y461 HydrophobicContact CB-CD1 3.74Å; A447-Y461 HydrophobicContact CB-CE1 3.61Å; A447-I470 HydrophobicContact CB-CD1 3.77Å; A447-I470 HydrophobicContact CB-CG1 4.35Å; A447-Y481 HydrophobicContact CB-CD1 4.12Å; A447-Y481 HydrophobicContact CB-CE1 4.39Å
448	H	95.5	Very high	89.5	Confident	3 Å²	3	52 Å²	52	1%	0.014	25%	0.249	C	C	.	.	H	α-helix	trans	-59.3	-48.2	175.2	176.2	-75.3	0	0	0	111.4	Q191 M249 Y444 Y450 M451 H452 Y481	Q191-H448 PolarHBondContact NE2-ND1 2.83Å; M249-H448 HydrophobicContact CE-CB 4.05Å; M249-H448 HydrophobicContact CG-CB 4.38Å; M249-H448 PolarHBondContact O-CE1 2.91Å; M249-H448 VanDerWaalsContact O-CE1 3.25Å; M249-H448 PolarHBondContact O-NE2 3.03Å; M249-H448 VanDerWaalsContact O-NE2 3.07Å; M249-H448 HydrophobicContact SD-CB 3.83Å; Y444-H448 VanDerWaalsContact O-CB 3.23Å; Y444-H448 WeakPolarHBondContact O-CB 3.13Å; Y444-H448 PolarHBondContact O-N 3.46Å; H448-Y450 VanDerWaalsContact C-N 3.32Å; H448-Y450 PolarHBondContact O-N 3.37Å; H448-M451 PolarHBondContact O-N 3.21Å; H448-H452 AromaticContact CD2-CD2 3.51Å; H448-H452 AromaticContact CD2-NE2 3.65Å; H448-H452 AromaticContact CE1-CD2 3.38Å; H448-H452 PolarHBondContact CE1-CD2 2.92Å; H448-H452 AromaticContact CE1-CG 3.94Å; H448-H452 AromaticContact CE1-NE2 3.9Å; H448-H452 AromaticContact CG-CD2 3.81Å; H448-H452 AromaticContact ND1-CD2 3.75Å; H448-H452 AromaticContact NE2-CD2 3.25Å; H448-H452 PolarHBondContact NE2-CD2 3.06Å; H448-H452 AromaticContact NE2-NE2 3.32Å; H448-H452 PolarHBondContact NE2-NE2 3.37Å; H448-H452 PolarHBondContact O-CD2 3.35Å; H448-H452 VanDerWaalsContact O-CD2 3.29Å; H448-H452 PolarHBondContact O-N 2.8Å; H448-Y481 HydrophobicContact CB-CE1 4.21Å
449	G	93.8	Very high	89.5	Confident	4 Å²	4	54.6 Å²	54.6	4%	0.041	26%	0.256	C	S	.	.	H	α-helix	trans	-58.3	-42	179.7	0	0	0	0	0	112.5	A445 A446 Q453	A445-G449 WeakPolarHBondContact O-CA 3.47Å; A445-G449 PolarHBondContact O-N 3.47Å; A446-G449 PolarHBondContact O-N 3.4Å; G449-Q453 WeakPolarHBondContact O-CG 3.24Å
450	Y	92.1	Very high	89.6	Confident	55 Å²	55	56.1 Å²	56.1	22%	0.216	27%	0.265	C	S	.	.	H	α-helix	trans	-66.1	-46.7	175.3	179	-95.5	0	0	0	112.3	A446 A447 H448 H452 Q453 Y461	A446-Y450 WeakPolarHBondContact O-CB 3.43Å; A446-Y450 PolarHBondContact O-N 3.22Å; A447-Y450 PolarHBondContact O-N 3.02Å; H448-Y450 VanDerWaalsContact C-N 3.32Å; H448-Y450 PolarHBondContact O-N 3.37Å; Y450-H452 VanDerWaalsContact C-N 3.28Å; Y450-H452 PolarHBondContact O-N 3.03Å; Y450-Q453 WeakPolarHBondContact O-CG 3.44Å; Y450-Q453 PolarHBondContact O-N 2.82Å; Y450-Y461 AromaticContact CD1-CD2 3.25Å; Y450-Y461 HydrophobicContact CD1-CD2 3.25Å; Y450-Y461 AromaticContact CD1-CE2 3.71Å; Y450-Y461 HydrophobicContact CD1-CE2 3.71Å; Y450-Y461 AromaticContact CD1-CG 3.98Å; Y450-Y461 HydrophobicContact CD1-CG 3.98Å; Y450-Y461 AromaticContact CE1-CD2 3.47Å; Y450-Y461 HydrophobicContact CE1-CD2 3.47Å; Y450-Y461 VanDerWaalsContact CE1-CD2 3.47Å; Y450-Y461 HydrophobicContact CE1-CE2 4.05Å; Y450-Y461 HydrophobicContact CE1-CG 4.4Å; Y450-Y461 HydrophobicContact CG-CD2 4.04Å; Y450-Y461 HydrophobicContact CG-CE2 4.03Å
451	M	93.1	Very high	89.7	Confident	14 Å²	14	57.4 Å²	57.4	7%	0.069	27%	0.27	C	S	.	.	H	α-helix	trans	-69.4	-24.1	-175.7	-67.8	-169.3	81.9	0	0	114	A447 H448 N459 Y461 G472 I474 Y481	A447-M451 VanDerWaalsContact O-CG 3.28Å; A447-M451 WeakPolarHBondContact O-CG 3.33Å; A447-M451 PolarHBondContact O-N 3.26Å; H448-M451 PolarHBondContact O-N 3.21Å; M451-N459 WeakPolarHBondContact CE-O 3.41Å; M451-Y461 HydrophobicContact CG-CG 4.31Å; M451-G472 WeakPolarHBondContact CE-O 3.4Å; M451-G472 VanDerWaalsContact SD-CA 3.56Å; M451-I474 HydrophobicContact CB-CD1 3.56Å; M451-I474 HydrophobicContact CB-CG1 4.42Å; M451-I474 HydrophobicContact CE-CB 4Å; M451-I474 HydrophobicContact CE-CD1 3.99Å; M451-I474 HydrophobicContact CE-CG1 3.59Å; M451-I474 HydrophobicContact CG-CD1 4.49Å; M451-I474 HydrophobicContact SD-CD1 4.22Å; M451-I474 HydrophobicContact SD-CG1 4.1Å; M451-Y481 HydrophobicContact SD-CD1 4.46Å; M451-Y481 HydrophobicContact SD-CE1 3.7Å
452	H	92	Very high	89.8	Confident	67 Å²	67	59.7 Å²	59.7	31%	0.31	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	13.8	178.7	-75.8	-84.6	0	0	0	113.8	H448 Y450 E479	H448-H452 AromaticContact CD2-CD2 3.51Å; H448-H452 AromaticContact CD2-NE2 3.65Å; H448-H452 AromaticContact CE1-CD2 3.38Å; H448-H452 PolarHBondContact CE1-CD2 2.92Å; H448-H452 AromaticContact CE1-CG 3.94Å; H448-H452 AromaticContact CE1-NE2 3.9Å; H448-H452 AromaticContact CG-CD2 3.81Å; H448-H452 AromaticContact ND1-CD2 3.75Å; H448-H452 AromaticContact NE2-CD2 3.25Å; H448-H452 PolarHBondContact NE2-CD2 3.06Å; H448-H452 AromaticContact NE2-NE2 3.32Å; H448-H452 PolarHBondContact NE2-NE2 3.37Å; H448-H452 PolarHBondContact O-CD2 3.35Å; H448-H452 VanDerWaalsContact O-CD2 3.29Å; H448-H452 PolarHBondContact O-N 2.8Å; Y450-H452 VanDerWaalsContact C-N 3.28Å; Y450-H452 PolarHBondContact O-N 3.03Å; H452-E479 IonicContact CE1-OE1 2.68Å; H452-E479 IonicContact CE1-OE2 3.1Å; H452-E479 PolarHBondContact CE1-OE2 3.17Å; H452-E479 IonicContact NE2-OE1 3.96Å; H452-E479 IonicContact NE2-OE2 2.71Å; H452-E479 PolarHBondContact NE2-OE2 3.16Å
453	Q	87.9	Confident	89.9	Confident	104 Å²	104	60.5 Å²	60.5	49%	0.486	28%	0.284	S	S	.	.			trans	-67.9	140.6	170.7	-66	-177.4	-1.8	0	0	110.7	G449 Y450 N455 Q456	G449-Q453 WeakPolarHBondContact O-CG 3.24Å; Y450-Q453 WeakPolarHBondContact O-CG 3.44Å; Y450-Q453 PolarHBondContact O-N 2.82Å; Q453-N455 PolarHBondContact O-N 3.1Å; Q453-N455 VanDerWaalsContact O-N 3.09Å; Q453-Q456 HydrophobicContact CB-CB 4.43Å; Q453-Q456 WeakPolarHBondContact O-CB 3.24Å; Q453-Q456 PolarHBondContact O-N 2.82Å
454	R	73.3	Confident	89.9	Confident	245 Å²	245	63.2 Å²	63.2	93%	0.925	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-29.2	-174.3	-170	173.9	177.9	165.3	-2.3	114
455	N	78.1	Confident	89.6	Confident	150 Å²	150	64.3 Å²	64.3	80%	0.802	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	8	-176.7	-62.1	-10.7	0	0	0	113.3	Q453 T457	Q453-N455 PolarHBondContact O-N 3.1Å; Q453-N455 VanDerWaalsContact O-N 3.09Å; N455-T457 PolarHBondContact O-N 3.42Å
456	Q	77.7	Confident	89.4	Confident	47 Å²	47	69.4 Å²	69.4	22%	0.22	35%	0.348	C	S	.	.			trans	-83.8	117.2	-174.7	-170.9	61.3	15	0	0	111.6	Q453	Q453-Q456 HydrophobicContact CB-CB 4.43Å; Q453-Q456 WeakPolarHBondContact O-CB 3.24Å; Q453-Q456 PolarHBondContact O-N 2.82Å
457	T	77	Confident	89.3	Confident	128 Å²	128	73 Å²	73	79%	0.785	36%	0.364	S	S	*	.			trans	-97.6	-14.6	177.4	57.1	0	0	0	0	113.5	N455	N455-T457 PolarHBondContact O-N 3.42Å
458	R	81.5	Confident	89.2	Confident	171 Å²	171	73 Å²	73	65%	0.645	36%	0.364	S	S	*	.			trans	-87.5	126.1	-177.2	-49.6	178.6	174.8	173.3	-2.7	111.1	I460	R458-I460 VanDerWaalsContact C-N 3.3Å; R458-I460 PolarHBondContact O-N 2.82Å
459	N	90.8	Very high	89.3	Confident	101 Å²	101	72.8 Å²	72.8	54%	0.54	36%	0.364	S	S	.	.	S	Bend	trans	-77.7	-12.9	176.3	-66.8	-20.5	0	0	0	113.9	M451 W473 I474	M451-N459 WeakPolarHBondContact CE-O 3.41Å; N459-W473 CarbonylContact O-C 3.49Å; N459-W473 VanDerWaalsContact O-CA 3.3Å; N459-W473 WeakPolarHBondContact O-CA 3.48Å; N459-I474 WeakPolarHBondContact CB-O 3.05Å; N459-I474 PolarHBondContact O-N 3.32Å
460	I	94.8	Very high	89.5	Confident	50 Å²	50	72.6 Å²	72.6	26%	0.256	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.4	-178.2	-60.2	176.2	0	0	0	109.8	R458 L471 G472 W473 I494	R458-I460 VanDerWaalsContact C-N 3.3Å; R458-I460 PolarHBondContact O-N 2.82Å; I460-L471 HydrophobicContact CG2-CD1 4.31Å; I460-L471 HydrophobicContact CG2-CG 4.38Å; I460-G472 CarbonylContact C-O 3.21Å; I460-G472 WeakPolarHBondContact CA-O 3.28Å; I460-W473 HydrophobicContact CD1-CD2 4.14Å; I460-W473 HydrophobicContact CD1-CG 4.46Å; I460-W473 HydrophobicContact CD1-CZ2 4.39Å; I460-W473 HydrophobicContact CG1-CB 4.4Å; I460-W473 HydrophobicContact CG1-CD2 4.08Å; I460-W473 HydrophobicContact CG1-CG 3.86Å; I460-I494 HydrophobicContact CD1-CD1 4.35Å
461	Y	94.7	Very high	89.7	Confident	29 Å²	29	70 Å²	70	11%	0.114	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	143.6	172.9	171.7	-101.4	0	0	0	110.1	A447 Y450 M451 C463 I470 L471 G472	A447-Y461 HydrophobicContact CB-CD1 3.74Å; A447-Y461 HydrophobicContact CB-CE1 3.61Å; Y450-Y461 AromaticContact CD1-CD2 3.25Å; Y450-Y461 HydrophobicContact CD1-CD2 3.25Å; Y450-Y461 AromaticContact CD1-CE2 3.71Å; Y450-Y461 HydrophobicContact CD1-CE2 3.71Å; Y450-Y461 AromaticContact CD1-CG 3.98Å; Y450-Y461 HydrophobicContact CD1-CG 3.98Å; Y450-Y461 AromaticContact CE1-CD2 3.47Å; Y450-Y461 HydrophobicContact CE1-CD2 3.47Å; Y450-Y461 VanDerWaalsContact CE1-CD2 3.47Å; Y450-Y461 HydrophobicContact CE1-CE2 4.05Å; Y450-Y461 HydrophobicContact CE1-CG 4.4Å; Y450-Y461 HydrophobicContact CG-CD2 4.04Å; Y450-Y461 HydrophobicContact CG-CE2 4.03Å; M451-Y461 HydrophobicContact CG-CG 4.31Å; Y461-C463 HydrophobicContact CE1-CB 4.18Å; Y461-C463 VanDerWaalsContact OH-CB 3.28Å; Y461-C463 WeakPolarHBondContact OH-CB 3.16Å; Y461-I470 HydrophobicContact CE1-CG2 4.12Å; Y461-L471 CarbonylContact O-C 3.54Å; Y461-L471 VanDerWaalsContact O-CA 3.32Å; Y461-L471 WeakPolarHBondContact O-CA 3.36Å; Y461-G472 PolarHBondContact N-O 2.84Å; Y461-G472 PolarHBondContact O-N 3Å
462	Y	96.3	Very high	90	Very high	61 Å²	61	69.4 Å²	69.4	24%	0.239	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	122.8	174.3	174.2	-88	0	0	0	109.6	S469 I470 L471 T488 K490 A493	Y462-S469 PolarHBondContact OH-OG 2.87Å; Y462-I470 VanDerWaalsContact CA-O 3.27Å; Y462-I470 WeakPolarHBondContact CA-O 3.34Å; Y462-L471 HydrophobicContact CD2-CB 4.36Å; Y462-L471 HydrophobicContact CD2-CD1 4.44Å; Y462-T488 PolarHBondContact OH-O 3.28Å; Y462-K490 HydrophobicContact CD1-CB 3.97Å; Y462-K490 HydrophobicContact CD1-CG 4.35Å; Y462-K490 HydrophobicContact CD2-CB 4.19Å; Y462-K490 HydrophobicContact CD2-CG 4.38Å; Y462-K490 HydrophobicContact CE1-CB 4.12Å; Y462-K490 HydrophobicContact CE2-CB 4.33Å; Y462-K490 HydrophobicContact CG-CB 4.01Å; Y462-K490 HydrophobicContact CG-CG 4.05Å; Y462-A493 HydrophobicContact CD2-CB 4.24Å; Y462-A493 HydrophobicContact CE2-CB 4.08Å
463	C	95.5	Very high	90.2	Very high	21 Å²	21	68.7 Å²	68.7	14%	0.142	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	129	165.6	178.4	0	0	0	0	107	C77 Y461 I470	C77-C463 WeakPolarHBondContact CB-SG 3.48Å; C77-C463 WeakPolarHBondContact SG-CB 3.38Å; C77-C463 CovalentContact SG-SG 2.15Å; C77-C463 PolarHBondContact SG-SG 3.08Å; Y461-C463 HydrophobicContact CE1-CB 4.18Å; Y461-C463 VanDerWaalsContact OH-CB 3.28Å; Y461-C463 WeakPolarHBondContact OH-CB 3.16Å; C463-I470 HydrophobicContact CB-CG2 4.39Å; C463-I470 PolarHBondContact N-O 3.47Å; C463-I470 VanDerWaalsContact N-O 3.13Å; C463-I470 PolarHBondContact O-N 3.35Å
464	S	93.6	Very high	90.6	Very high	60 Å²	60	64.6 Å²	64.6	42%	0.42	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	138.2	166	-176.9	0	0	0	0	108.8	S469 P486	S464-S469 WeakPolarHBondContact CA-OG 3.48Å; S464-S469 VanDerWaalsContact CB-OG 3.29Å; S464-S469 WeakPolarHBondContact CB-OG 3.37Å; S464-S469 PolarHBondContact OG-OG 2.83Å; S464-P486 PolarHBondContact OG-O 2.89Å
465	A	91	Very high	91.6	Very high	24 Å²	24	54.1 Å²	54.1	20%	0.198	29%	0.288	C	S	.	.			trans	-128.6	177.7	174.4	0	0	0	0	0	110	L467 E468 P486	A465-L467 VanDerWaalsContact C-N 3.3Å; A465-L467 PolarHBondContact O-N 3.19Å; A465-E468 WeakPolarHBondContact CA-O 3.04Å; A465-E468 WeakPolarHBondContact CB-O 3.43Å; A465-E468 PolarHBondContact N-O 2.77Å; A465-P486 WeakPolarHBondContact O-CB 3.33Å
466	S	89.8	Confident	92.3	Very high	110 Å²	110	52 Å²	52	77%	0.769	28%	0.282	S	S	*	.	S	Bend	trans	-62.5	-34.4	-177.6	52.6	0	0	0	0	113.9
467	L	91.4	Very high	93	Very high	88 Å²	88	56.4 Å²	56.4	46%	0.461	30%	0.302	S	S	.	.	S	Bend	trans	-97	-33.2	-176.4	-70	179.5	0	0	0	112.8	F436 Y439 A465 P486	F436-L467 HydrophobicContact CE1-CD1 4.43Å; Y439-L467 HydrophobicContact CD1-CD1 4.48Å; Y439-L467 HydrophobicContact CE1-CB 4.4Å; Y439-L467 HydrophobicContact CE1-CD1 3.83Å; A465-L467 VanDerWaalsContact C-N 3.3Å; A465-L467 PolarHBondContact O-N 3.19Å; L467-P486 WeakPolarHBondContact O-CD 3.33Å
468	E	94.1	Very high	93.9	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.272	C	S	.	.			trans	-160.3	160.5	-176.8	73.3	-66.1	145.6	0	0	112.9	I409 Y430 Y439 R443 A465 V483 F484	I409-E468 HydrophobicContact CD1-CB 4.22Å; Y430-E468 PolarHBondContact OH-OE2 3.19Å; Y439-E468 WeakPolarHBondContact CE1-OE1 3.49Å; Y439-E468 VanDerWaalsContact CE1-OE2 3.23Å; Y439-E468 WeakPolarHBondContact CE1-OE2 3.34Å; Y439-E468 PolarHBondContact OH-OE1 2.82Å; Y439-E468 PolarHBondContact OH-OE2 2.87Å; R443-E468 WeakPolarHBondContact CD-OE1 3.29Å; R443-E468 WeakPolarHBondContact CG-OE1 3.23Å; R443-E468 IonicContact CZ-OE1 3.93Å; R443-E468 IonicContact NE-OE1 3.87Å; R443-E468 PolarHBondContact NE-OE1 2.87Å; A465-E468 WeakPolarHBondContact CA-O 3.04Å; A465-E468 WeakPolarHBondContact CB-O 3.43Å; A465-E468 PolarHBondContact N-O 2.77Å; E468-V483 HydrophobicContact CB-CG1 3.64Å; E468-V483 HydrophobicContact CG-CG1 3.47Å; E468-V483 VanDerWaalsContact CG-CG1 3.47Å; E468-F484 WeakPolarHBondContact CA-O 3.39Å; E468-F484 WeakPolarHBondContact CB-O 3.42Å
469	S	96.4	Very high	94.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	135.1	169.7	-69.5	0	0	0	0	109.7	Y462 S464 V483 F484 P486	Y462-S469 PolarHBondContact OH-OG 2.87Å; S464-S469 WeakPolarHBondContact CA-OG 3.48Å; S464-S469 VanDerWaalsContact CB-OG 3.29Å; S464-S469 WeakPolarHBondContact CB-OG 3.37Å; S464-S469 PolarHBondContact OG-OG 2.83Å; S469-V483 CarbonylContact O-C 3.56Å; S469-V483 WeakPolarHBondContact O-CA 3.26Å; S469-F484 PolarHBondContact N-O 2.95Å; S469-F484 PolarHBondContact O-N 3.08Å; S469-P486 PolarHBondContact OG-O 3.4Å
470	I	97.6	Very high	94.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.5	177.4	-172.5	165.7	0	0	0	110.5	R443 Y444 A447 Y461 Y462 C463 A482 V483	R443-I470 HydrophobicContact CB-CD1 4.4Å; Y444-I470 HydrophobicContact CD1-CD1 3.7Å; Y444-I470 HydrophobicContact CE1-CD1 4Å; Y444-I470 HydrophobicContact CG-CD1 4.29Å; A447-I470 HydrophobicContact CB-CD1 3.77Å; A447-I470 HydrophobicContact CB-CG1 4.35Å; Y461-I470 HydrophobicContact CE1-CG2 4.12Å; Y462-I470 VanDerWaalsContact CA-O 3.27Å; Y462-I470 WeakPolarHBondContact CA-O 3.34Å; C463-I470 HydrophobicContact CB-CG2 4.39Å; C463-I470 PolarHBondContact N-O 3.47Å; C463-I470 VanDerWaalsContact N-O 3.13Å; C463-I470 PolarHBondContact O-N 3.35Å; I470-A482 WeakPolarHBondContact CA-O 3.46Å; I470-V483 HydrophobicContact CB-CG2 4.17Å; I470-V483 HydrophobicContact CD1-CG2 3.94Å; I470-V483 HydrophobicContact CG1-CG2 3.9Å
471	L	98.1	Very high	95.1	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.4	169.3	-172.7	142.7	0	0	0	109.8	I460 Y461 Y462 W473 Y481 A482 F484 A493 I494 V497	I460-L471 HydrophobicContact CG2-CD1 4.31Å; I460-L471 HydrophobicContact CG2-CG 4.38Å; Y461-L471 CarbonylContact O-C 3.54Å; Y461-L471 VanDerWaalsContact O-CA 3.32Å; Y461-L471 WeakPolarHBondContact O-CA 3.36Å; Y462-L471 HydrophobicContact CD2-CB 4.36Å; Y462-L471 HydrophobicContact CD2-CD1 4.44Å; L471-W473 HydrophobicContact CD2-CB 4.08Å; L471-Y481 CarbonylContact O-C 3.55Å; L471-Y481 VanDerWaalsContact O-CA 3.29Å; L471-Y481 WeakPolarHBondContact O-CA 3.47Å; L471-A482 PolarHBondContact N-O 3.12Å; L471-A482 PolarHBondContact O-N 3.02Å; L471-F484 HydrophobicContact CB-CE2 4.26Å; L471-A493 HydrophobicContact CB-CB 4.19Å; L471-A493 HydrophobicContact CD1-CB 3.65Å; L471-I494 HydrophobicContact CD1-CB 4.49Å; L471-I494 HydrophobicContact CD1-CG1 3.6Å; L471-V497 HydrophobicContact CD2-CB 4.41Å; L471-V497 HydrophobicContact CD2-CG2 3.83Å
472	G	97.9	Very high	95.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.5	168.8	0	0	0	0	0	110.4	M451 I460 Y461 V480	M451-G472 WeakPolarHBondContact CE-O 3.4Å; M451-G472 VanDerWaalsContact SD-CA 3.56Å; I460-G472 CarbonylContact C-O 3.21Å; I460-G472 WeakPolarHBondContact CA-O 3.28Å; Y461-G472 PolarHBondContact N-O 2.84Å; Y461-G472 PolarHBondContact O-N 3Å; G472-V480 CarbonylContact C-O 3.44Å; G472-V480 WeakPolarHBondContact CA-O 3.34Å
473	W	97.5	Very high	95.3	Very high	52 Å²	52	32.5 Å²	32.5	20%	0.197	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	117.4	176.8	-171.2	-5.8	0	0	0	110.4	N459 I460 L471 E479 V480 I494 V497 E498	N459-W473 CarbonylContact O-C 3.49Å; N459-W473 VanDerWaalsContact O-CA 3.3Å; N459-W473 WeakPolarHBondContact O-CA 3.48Å; I460-W473 HydrophobicContact CD1-CD2 4.14Å; I460-W473 HydrophobicContact CD1-CG 4.46Å; I460-W473 HydrophobicContact CD1-CZ2 4.39Å; I460-W473 HydrophobicContact CG1-CB 4.4Å; I460-W473 HydrophobicContact CG1-CD2 4.08Å; I460-W473 HydrophobicContact CG1-CG 3.86Å; L471-W473 HydrophobicContact CD2-CB 4.08Å; W473-E479 WeakPolarHBondContact O-CA 3.47Å; W473-V480 HydrophobicContact CB-CG1 3.8Å; W473-V480 PolarHBondContact N-O 3.24Å; W473-V480 PolarHBondContact O-N 2.95Å; W473-I494 HydrophobicContact CZ3-CG2 4.2Å; W473-V497 HydrophobicContact CE3-CG1 3.88Å; W473-V497 HydrophobicContact CZ3-CG1 4.38Å; W473-E498 HydrophobicContact CH2-CG 4.39Å; W473-E498 HydrophobicContact CZ3-CG 4.12Å
474	I	95.8	Very high	95.4	Very high	19 Å²	19	31.5 Å²	31.5	10%	0.097	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	134.1	177.7	-64.2	-178.5	0	0	0	109.9	M451 N459 E479	M451-I474 HydrophobicContact CB-CD1 3.56Å; M451-I474 HydrophobicContact CB-CG1 4.42Å; M451-I474 HydrophobicContact CE-CB 4Å; M451-I474 HydrophobicContact CE-CD1 3.99Å; M451-I474 HydrophobicContact CE-CG1 3.59Å; M451-I474 HydrophobicContact CG-CD1 4.49Å; M451-I474 HydrophobicContact SD-CD1 4.22Å; M451-I474 HydrophobicContact SD-CG1 4.1Å; N459-I474 WeakPolarHBondContact CB-O 3.05Å; N459-I474 PolarHBondContact O-N 3.32Å; I474-E479 HydrophobicContact CG1-CB 4.21Å; I474-E479 HydrophobicContact CG1-CG 3.99Å; I474-E479 HydrophobicContact CG2-CG 4.23Å
475	T	94.1	Very high	95.4	Very high	24 Å²	24	30.2 Å²	30.2	15%	0.147	17%	0.172	C	C	.	.			trans	-130	172.6	169.5	70.8	0	0	0	0	109.4	R416 H477 F478	R416-T475 WeakPolarHBondContact CD-O 3.46Å; R416-T475 PolarHBondContact NH1-O 3Å; T475-H477 PolarHBondContact O-N 2.86Å; T475-H477 PolarHBondContact OG1-N 3.12Å; T475-F478 HydrophobicContact CG2-CD1 4.34Å; T475-F478 HydrophobicContact CG2-CE1 3.73Å; T475-F478 HydrophobicContact CG2-CE2 4.06Å; T475-F478 HydrophobicContact CG2-CZ 3.56Å; T475-F478 PolarHBondContact N-O 2.97Å; T475-F478 WeakPolarHBondContact OG1-CD1 3.38Å; T475-F478 WeakPolarHBondContact OG1-CE1 3.47Å; T475-F478 PolarHBondContact OG1-N 3.38Å; T475-F478 PolarHBondContact OG1-O 3.44Å
476	P	92.3	Very high	95.6	Very high	105 Å²	105	31 Å²	31	68%	0.682	18%	0.175	S	C	*	.	S	Bend	trans	-59.2	-26.5	171.8	-27.1	37	0	0	0	114
477	H	93.2	Very high	95.8	Very high	141 Å²	141	33 Å²	33	65%	0.653	18%	0.176	S	C	*	.	S	Bend	trans	-97.3	-35.1	-173.9	-59	-56.5	0	0	0	113.6	R416 T475	R416-H477 WeakPolarHBondContact CB-O 3.43Å; R416-H477 PolarHBondContact N-O 3.26Å; T475-H477 PolarHBondContact O-N 2.86Å; T475-H477 PolarHBondContact OG1-N 3.12Å
478	F	95.4	Very high	96.1	Very high	35 Å²	35	28.8 Å²	28.8	15%	0.154	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	161.9	-174.6	70.2	-96	0	0	0	112.9	Y413 K414 T475 V480 M501	Y413-F478 HydrophobicContact CD2-CB 4.46Å; Y413-F478 HydrophobicContact CD2-CD2 4.45Å; Y413-F478 HydrophobicContact CE2-CB 3.45Å; Y413-F478 VanDerWaalsContact CE2-CB 3.45Å; Y413-F478 AromaticContact CE2-CD2 3.84Å; Y413-F478 HydrophobicContact CE2-CD2 3.84Å; Y413-F478 AromaticContact CE2-CG 3.74Å; Y413-F478 HydrophobicContact CE2-CG 3.74Å; Y413-F478 WeakPolarHBondContact OH-CB 3.45Å; K414-F478 CarbonylContact O-C 3.57Å; K414-F478 VanDerWaalsContact O-CA 3.23Å; K414-F478 WeakPolarHBondContact O-CA 3.28Å; K414-F478 WeakPolarHBondContact O-CB 3.32Å; T475-F478 HydrophobicContact CG2-CD1 4.34Å; T475-F478 HydrophobicContact CG2-CE1 3.73Å; T475-F478 HydrophobicContact CG2-CE2 4.06Å; T475-F478 HydrophobicContact CG2-CZ 3.56Å; T475-F478 PolarHBondContact N-O 2.97Å; T475-F478 WeakPolarHBondContact OG1-CD1 3.38Å; T475-F478 WeakPolarHBondContact OG1-CE1 3.47Å; T475-F478 PolarHBondContact OG1-N 3.38Å; T475-F478 PolarHBondContact OG1-O 3.44Å; F478-V480 HydrophobicContact CD2-CB 4.33Å; F478-V480 HydrophobicContact CD2-CG1 4.22Å; F478-V480 HydrophobicContact CE2-CB 4.43Å; F478-V480 HydrophobicContact CE2-CG1 3.84Å; F478-M501 HydrophobicContact CD1-CE 3.95Å; F478-M501 HydrophobicContact CD2-CE 4.08Å; F478-M501 HydrophobicContact CD2-SD 4.31Å; F478-M501 HydrophobicContact CE1-CE 3.88Å; F478-M501 HydrophobicContact CE2-CE 4.01Å; F478-M501 HydrophobicContact CE2-SD 4.11Å; F478-M501 HydrophobicContact CG-CE 4.07Å; F478-M501 HydrophobicContact CZ-CE 3.91Å; F478-M501 HydrophobicContact CZ-SD 4.43Å
479	E	96.6	Very high	96.2	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.8	164.3	-49.3	178	-146.8	0	0	108.1	Y413 K414 R416 H452 W473 I474 Y481	Y413-E479 WeakPolarHBondContact CA-O 3.18Å; K414-E479 HydrophobicContact CB-CB 4.22Å; K414-E479 HydrophobicContact CD-CB 4.46Å; K414-E479 HydrophobicContact CD-CG 4.2Å; K414-E479 WeakPolarHBondContact CD-OE1 3.13Å; K414-E479 PolarHBondContact N-O 3.33Å; K414-E479 IonicContact NZ-OE1 3.52Å; K414-E479 PolarHBondContact NZ-OE1 2.72Å; K414-E479 PolarHBondContact O-N 3.14Å; R416-E479 HydrophobicContact CG-CG 3.9Å; R416-E479 IonicContact NE-OE1 3.3Å; H452-E479 IonicContact CE1-OE1 2.68Å; H452-E479 IonicContact CE1-OE2 3.1Å; H452-E479 PolarHBondContact CE1-OE2 3.17Å; H452-E479 IonicContact NE2-OE1 3.96Å; H452-E479 IonicContact NE2-OE2 2.71Å; H452-E479 PolarHBondContact NE2-OE2 3.16Å; W473-E479 WeakPolarHBondContact O-CA 3.47Å; I474-E479 HydrophobicContact CG1-CB 4.21Å; I474-E479 HydrophobicContact CG1-CG 3.99Å; I474-E479 HydrophobicContact CG2-CG 4.23Å; E479-Y481 HydrophobicContact CB-CE2 3.96Å; E479-Y481 PolarHBondContact OE2-OH 2.91Å
480	V	97.7	Very high	96.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	137.1	175	64.8	0	0	0	0	109.7	I412 Y413 G472 W473 F478 V497 L500	I412-V480 WeakPolarHBondContact O-CA 3.33Å; Y413-V480 HydrophobicContact CD2-CB 4.12Å; Y413-V480 HydrophobicContact CD2-CG2 4.37Å; G472-V480 CarbonylContact C-O 3.44Å; G472-V480 WeakPolarHBondContact CA-O 3.34Å; W473-V480 HydrophobicContact CB-CG1 3.8Å; W473-V480 PolarHBondContact N-O 3.24Å; W473-V480 PolarHBondContact O-N 2.95Å; F478-V480 HydrophobicContact CD2-CB 4.33Å; F478-V480 HydrophobicContact CD2-CG1 4.22Å; F478-V480 HydrophobicContact CE2-CB 4.43Å; F478-V480 HydrophobicContact CE2-CG1 3.84Å; V480-V497 HydrophobicContact CG1-CG1 3.65Å; V480-V497 HydrophobicContact CG2-CG1 4.44Å; V480-L500 HydrophobicContact CG2-CD2 4.28Å
481	Y	98.1	Very high	96.2	Very high	1 Å²	1	43.3 Å²	43.3	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	120.7	173.4	-55.8	-94.7	0	0	0	107.5	L250 F411 I412 Y444 A447 H448 M451 L471 E479	L250-Y481 HydrophobicContact CD2-CE2 4.3Å; F411-Y481 CarbonylContact C-O 3.52Å; F411-Y481 VanDerWaalsContact CA-O 3.25Å; F411-Y481 WeakPolarHBondContact CA-O 3.26Å; I412-Y481 PolarHBondContact N-O 3.3Å; I412-Y481 PolarHBondContact O-N 2.93Å; Y444-Y481 HydrophobicContact CD1-CG 4.37Å; A447-Y481 HydrophobicContact CB-CD1 4.12Å; A447-Y481 HydrophobicContact CB-CE1 4.39Å; H448-Y481 HydrophobicContact CB-CE1 4.21Å; M451-Y481 HydrophobicContact SD-CD1 4.46Å; M451-Y481 HydrophobicContact SD-CE1 3.7Å; L471-Y481 CarbonylContact O-C 3.55Å; L471-Y481 VanDerWaalsContact O-CA 3.29Å; L471-Y481 WeakPolarHBondContact O-CA 3.47Å; E479-Y481 HydrophobicContact CB-CE2 3.96Å; E479-Y481 PolarHBondContact OE2-OH 2.91Å
482	A	97.9	Very high	96.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.9	-176.6	0	0	0	0	0	110.2	L408 F411 I470 L471 F484 V497 L500	L408-A482 HydrophobicContact CD1-CB 4.11Å; F411-A482 HydrophobicContact CB-CB 4.26Å; I470-A482 WeakPolarHBondContact CA-O 3.46Å; L471-A482 PolarHBondContact N-O 3.12Å; L471-A482 PolarHBondContact O-N 3.02Å; A482-F484 HydrophobicContact CB-CD2 4.43Å; A482-F484 HydrophobicContact CB-CE2 3.52Å; A482-F484 HydrophobicContact CB-CZ 3.61Å; A482-V497 HydrophobicContact CB-CG2 3.73Å; A482-L500 HydrophobicContact CB-CD2 4.49Å
483	V	97.4	Very high	96.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	132.4	-178.7	173.6	0	0	0	0	108.2	I409 H410 L440 Y444 E468 S469 I470	I409-V483 HydrophobicContact CB-CG1 4.12Å; I409-V483 WeakPolarHBondContact CB-O 3.31Å; I409-V483 HydrophobicContact CD1-CG1 4.34Å; I409-V483 HydrophobicContact CG2-CG1 4.33Å; I409-V483 PolarHBondContact N-O 3.06Å; H410-V483 PolarHBondContact N-O 3.31Å; H410-V483 PolarHBondContact O-N 2.86Å; L440-V483 HydrophobicContact CD1-CB 4.42Å; L440-V483 HydrophobicContact CD1-CG1 4.11Å; L440-V483 HydrophobicContact CD1-CG2 3.93Å; Y444-V483 HydrophobicContact CE1-CG2 3.81Å; Y444-V483 HydrophobicContact CE2-CG2 4Å; Y444-V483 VanDerWaalsContact CZ-CG2 3.43Å; Y444-V483 VanDerWaalsContact OH-CG2 3.27Å; Y444-V483 WeakPolarHBondContact OH-CG2 3.17Å; E468-V483 HydrophobicContact CB-CG1 3.64Å; E468-V483 HydrophobicContact CG-CG1 3.47Å; E468-V483 VanDerWaalsContact CG-CG1 3.47Å; S469-V483 CarbonylContact O-C 3.56Å; S469-V483 WeakPolarHBondContact O-CA 3.26Å; I470-V483 HydrophobicContact CB-CG2 4.17Å; I470-V483 HydrophobicContact CD1-CG2 3.94Å; I470-V483 HydrophobicContact CG1-CG2 3.9Å
484	F	96.9	Very high	96.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	167	-173.7	-58.2	-82.8	0	0	0	111.3	V405 D407 L408 I409 E468 S469 L471 A482 T488 A493 R496 V497	V405-F484 HydrophobicContact CG1-CE1 4.35Å; D407-F484 CarbonylContact O-C 3.57Å; D407-F484 WeakPolarHBondContact O-CA 3.32Å; L408-F484 HydrophobicContact CB-CD1 4.25Å; L408-F484 HydrophobicContact CB-CE1 4.11Å; L408-F484 HydrophobicContact CD1-CD1 4.13Å; L408-F484 HydrophobicContact CD1-CE1 3.66Å; L408-F484 HydrophobicContact CD1-CZ 4.09Å; L408-F484 HydrophobicContact CG-CE1 4.5Å; I409-F484 VanDerWaalsContact CD1-C 3.48Å; E468-F484 WeakPolarHBondContact CA-O 3.39Å; E468-F484 WeakPolarHBondContact CB-O 3.42Å; S469-F484 PolarHBondContact N-O 2.95Å; S469-F484 PolarHBondContact O-N 3.08Å; L471-F484 HydrophobicContact CB-CE2 4.26Å; A482-F484 HydrophobicContact CB-CD2 4.43Å; A482-F484 HydrophobicContact CB-CE2 3.52Å; A482-F484 HydrophobicContact CB-CZ 3.61Å; F484-T488 HydrophobicContact CB-CG2 3.98Å; F484-T488 WeakPolarHBondContact CB-OG1 3.36Å; F484-T488 HydrophobicContact CG-CG2 4.17Å; F484-A493 HydrophobicContact CD2-CB 3.98Å; F484-A493 HydrophobicContact CE2-CB 3.87Å; F484-R496 HydrophobicContact CE1-CB 3.66Å; F484-R496 HydrophobicContact CE1-CG 4.42Å; F484-R496 HydrophobicContact CZ-CB 3.91Å; F484-V497 HydrophobicContact CE2-CG2 4.09Å; F484-V497 HydrophobicContact CZ-CG2 3.82Å
485	S	95	Very high	96.3	Very high	34 Å²	34	48.8 Å²	48.8	24%	0.238	27%	0.265	C	S	.	.			trans	-48	142.7	167.6	171	0	0	0	0	111.8	D407 L487 T488	D407-S485 PolarHBondContact O-N 3Å; S485-L487 PolarHBondContact O-N 3.01Å; S485-L487 VanDerWaalsContact O-N 3.09Å; S485-T488 VanDerWaalsContact O-CB 3.23Å; S485-T488 WeakPolarHBondContact O-CB 3.33Å; S485-T488 PolarHBondContact O-N 3.09Å; S485-T488 PolarHBondContact O-OG1 3.29Å
486	P	94.5	Very high	96.5	Very high	40 Å²	40	49.2 Å²	49.2	26%	0.26	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.6	-175.4	23.1	-33.7	0	0	0	113	S464 A465 L467 S469 T488	S464-P486 PolarHBondContact OG-O 2.89Å; A465-P486 WeakPolarHBondContact O-CB 3.33Å; L467-P486 WeakPolarHBondContact O-CD 3.33Å; S469-P486 PolarHBondContact OG-O 3.4Å; P486-T488 VanDerWaalsContact C-N 3.29Å; P486-T488 PolarHBondContact O-N 3.1Å
487	L	95	Very high	96.8	Very high	152 Å²	152	44.2 Å²	44.2	80%	0.796	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-10.3	178.7	-60.7	-178.2	0	0	0	114.4	S485 T489	S485-L487 PolarHBondContact O-N 3.01Å; S485-L487 VanDerWaalsContact O-N 3.09Å; L487-T489 PolarHBondContact O-N 3.11Å
488	T	96.8	Very high	97	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.222	C	C	.	.			trans	-68.2	116	-178.3	-54.7	0	0	0	0	109.8	Y462 F484 S485 P486 E492 A493 R496	Y462-T488 PolarHBondContact OH-O 3.28Å; F484-T488 HydrophobicContact CB-CG2 3.98Å; F484-T488 WeakPolarHBondContact CB-OG1 3.36Å; F484-T488 HydrophobicContact CG-CG2 4.17Å; S485-T488 VanDerWaalsContact O-CB 3.23Å; S485-T488 WeakPolarHBondContact O-CB 3.33Å; S485-T488 PolarHBondContact O-N 3.09Å; S485-T488 PolarHBondContact O-OG1 3.29Å; P486-T488 VanDerWaalsContact C-N 3.29Å; P486-T488 PolarHBondContact O-N 3.1Å; T488-E492 HydrophobicContact CG2-CB 3.94Å; T488-A493 HydrophobicContact CG2-CB 4.03Å; T488-R496 PolarHBondContact OG1-NH1 3.22Å
489	T	96.7	Very high	97	Very high	69 Å²	69	43.4 Å²	43.4	42%	0.423	23%	0.228	S	C	.	.			trans	-69.3	162.1	177.6	67	0	0	0	0	111.9	L487 N491 E492 A493	L487-T489 PolarHBondContact O-N 3.11Å; T489-N491 VanDerWaalsContact C-N 3.32Å; T489-N491 PolarHBondContact O-N 2.86Å; T489-E492 WeakPolarHBondContact CB-OE2 3.46Å; T489-E492 WeakPolarHBondContact CG2-OE2 3.31Å; T489-E492 PolarHBondContact N-OE2 3.44Å; T489-E492 PolarHBondContact O-N 3.48Å; T489-E492 VanDerWaalsContact OG1-CG 3.24Å; T489-E492 WeakPolarHBondContact OG1-CG 2.95Å; T489-E492 PolarHBondContact OG1-N 3.45Å; T489-E492 PolarHBondContact OG1-OE2 2.84Å; T489-A493 WeakPolarHBondContact O-CB 3.07Å; T489-A493 PolarHBondContact O-N 3.25Å
490	K	96.6	Very high	97.1	Very high	106 Å²	106	43.3 Å²	43.3	46%	0.461	23%	0.228	S	C	.	.	H	α-helix	trans	-54.4	-45.1	176.9	-178.8	-177.1	174.7	-174.5	0	112.9	Y462 A493 I494	Y462-K490 HydrophobicContact CD1-CB 3.97Å; Y462-K490 HydrophobicContact CD1-CG 4.35Å; Y462-K490 HydrophobicContact CD2-CB 4.19Å; Y462-K490 HydrophobicContact CD2-CG 4.38Å; Y462-K490 HydrophobicContact CE1-CB 4.12Å; Y462-K490 HydrophobicContact CE2-CB 4.33Å; Y462-K490 HydrophobicContact CG-CB 4.01Å; Y462-K490 HydrophobicContact CG-CG 4.05Å; K490-A493 PolarHBondContact O-N 3.01Å; K490-I494 HydrophobicContact CG-CD1 4.15Å; K490-I494 WeakPolarHBondContact O-CG1 3.4Å; K490-I494 PolarHBondContact O-N 2.93Å
491	N	97.3	Very high	97	Very high	129 Å²	129	44.9 Å²	44.9	69%	0.69	24%	0.235	S	C	*	.	H	α-helix	trans	-68.1	-39.6	-177.3	-69.7	-20.6	0	0	0	111.6	T489 I494 S495	T489-N491 VanDerWaalsContact C-N 3.32Å; T489-N491 PolarHBondContact O-N 2.86Å; N491-I494 PolarHBondContact O-N 3.13Å; N491-S495 PolarHBondContact O-N 3.3Å; N491-S495 VanDerWaalsContact O-N 3.11Å
492	E	98	Very high	96.9	Very high	83 Å²	83	52.4 Å²	52.4	39%	0.388	26%	0.264	S	S	.	.	H	α-helix	trans	-63.5	-44.7	173.2	-69.5	165.6	145.2	0	0	111.1	T488 T489 I494 S495 R496	T488-E492 HydrophobicContact CG2-CB 3.94Å; T489-E492 WeakPolarHBondContact CB-OE2 3.46Å; T489-E492 WeakPolarHBondContact CG2-OE2 3.31Å; T489-E492 PolarHBondContact N-OE2 3.44Å; T489-E492 PolarHBondContact O-N 3.48Å; T489-E492 VanDerWaalsContact OG1-CG 3.24Å; T489-E492 WeakPolarHBondContact OG1-CG 2.95Å; T489-E492 PolarHBondContact OG1-N 3.45Å; T489-E492 PolarHBondContact OG1-OE2 2.84Å; E492-I494 VanDerWaalsContact C-N 3.33Å; E492-I494 PolarHBondContact O-N 2.76Å; E492-S495 PolarHBondContact O-N 3.02Å; E492-R496 WeakPolarHBondContact O-CB 3.49Å; E492-R496 VanDerWaalsContact O-CD 3.23Å; E492-R496 WeakPolarHBondContact O-CD 3.45Å; E492-R496 WeakPolarHBondContact O-CG 3.33Å; E492-R496 PolarHBondContact O-N 2.72Å
493	A	98	Very high	96.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.9	-42.8	177.3	0	0	0	0	0	112	Y462 L471 F484 T488 T489 K490 R496 V497	Y462-A493 HydrophobicContact CD2-CB 4.24Å; Y462-A493 HydrophobicContact CE2-CB 4.08Å; L471-A493 HydrophobicContact CB-CB 4.19Å; L471-A493 HydrophobicContact CD1-CB 3.65Å; F484-A493 HydrophobicContact CD2-CB 3.98Å; F484-A493 HydrophobicContact CE2-CB 3.87Å; T488-A493 HydrophobicContact CG2-CB 4.03Å; T489-A493 WeakPolarHBondContact O-CB 3.07Å; T489-A493 PolarHBondContact O-N 3.25Å; K490-A493 PolarHBondContact O-N 3.01Å; A493-R496 PolarHBondContact O-N 3.27Å; A493-V497 WeakPolarHBondContact O-CG2 3.38Å; A493-V497 PolarHBondContact O-N 3.4Å
494	I	97.6	Very high	96.7	Very high	34 Å²	34	55 Å²	55	17%	0.174	27%	0.274	C	S	.	.	H	α-helix	trans	-60.5	-52.3	175.9	-68.3	167.7	0	0	0	110.3	I460 L471 W473 K490 N491 E492 R496 V497 E498	I460-I494 HydrophobicContact CD1-CD1 4.35Å; L471-I494 HydrophobicContact CD1-CB 4.49Å; L471-I494 HydrophobicContact CD1-CG1 3.6Å; W473-I494 HydrophobicContact CZ3-CG2 4.2Å; K490-I494 HydrophobicContact CG-CD1 4.15Å; K490-I494 WeakPolarHBondContact O-CG1 3.4Å; K490-I494 PolarHBondContact O-N 2.93Å; N491-I494 PolarHBondContact O-N 3.13Å; E492-I494 VanDerWaalsContact C-N 3.33Å; E492-I494 PolarHBondContact O-N 2.76Å; I494-R496 VanDerWaalsContact C-N 3.25Å; I494-R496 PolarHBondContact O-N 3.42Å; I494-V497 PolarHBondContact O-N 3.21Å; I494-V497 VanDerWaalsContact O-N 3.13Å; I494-E498 WeakPolarHBondContact O-CG 3.25Å; I494-E498 PolarHBondContact O-N 2.95Å
495	S	97.9	Very high	96.5	Very high	70 Å²	70	62.7 Å²	62.7	49%	0.49	31%	0.307	S	S	.	.	H	α-helix	trans	-60	-36.2	179.9	-176.6	0	0	0	0	112.5	N491 E492 E498 H499	N491-S495 PolarHBondContact O-N 3.3Å; N491-S495 VanDerWaalsContact O-N 3.11Å; E492-S495 PolarHBondContact O-N 3.02Å; S495-E498 WeakPolarHBondContact O-CB 3.42Å; S495-E498 PolarHBondContact O-N 3.35Å; S495-H499 PolarHBondContact O-N 3.32Å; S495-H499 VanDerWaalsContact O-N 3.09Å
496	R	97.8	Very high	96.5	Very high	34 Å²	34	69 Å²	69	13%	0.128	33%	0.33	C	S	.	.	H	α-helix	trans	-71.1	-38.1	176.3	-70.5	161.4	-174.2	-159.2	6.2	112.4	V405 A406 D407 F484 T488 E492 A493 I494 E498 H499 L500	V405-R496 HydrophobicContact CG1-CB 3.74Å; V405-R496 HydrophobicContact CG1-CG 4.25Å; A406-R496 VanDerWaalsContact O-CD 3.26Å; A406-R496 WeakPolarHBondContact O-CD 3.45Å; A406-R496 PolarHBondContact O-NE 3.3Å; A406-R496 PolarHBondContact O-NH1 3.16Å; D407-R496 VanDerWaalsContact CG-NH1 3.25Å; D407-R496 IonicContact OD2-CZ 2.63Å; D407-R496 IonicContact OD2-NH1 3.67Å; D407-R496 PolarHBondContact OD2-NH1 2.97Å; D407-R496 IonicContact OD2-NH2 3.22Å; D407-R496 PolarHBondContact OD2-NH2 3.44Å; F484-R496 HydrophobicContact CE1-CB 3.66Å; F484-R496 HydrophobicContact CE1-CG 4.42Å; F484-R496 HydrophobicContact CZ-CB 3.91Å; T488-R496 PolarHBondContact OG1-NH1 3.22Å; E492-R496 WeakPolarHBondContact O-CB 3.49Å; E492-R496 VanDerWaalsContact O-CD 3.23Å; E492-R496 WeakPolarHBondContact O-CD 3.45Å; E492-R496 WeakPolarHBondContact O-CG 3.33Å; E492-R496 PolarHBondContact O-N 2.72Å; A493-R496 PolarHBondContact O-N 3.27Å; I494-R496 VanDerWaalsContact C-N 3.25Å; I494-R496 PolarHBondContact O-N 3.42Å; R496-E498 VanDerWaalsContact C-N 3.33Å; R496-H499 WeakPolarHBondContact O-CB 3.34Å; R496-H499 PolarHBondContact O-N 2.81Å; R496-L500 PolarHBondContact O-N 2.92Å
497	V	97.8	Very high	96.4	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.2	-39	171.9	168.5	0	0	0	0	110.8	L471 W473 V480 A482 F484 A493 I494 H499 L500 M501	L471-V497 HydrophobicContact CD2-CB 4.41Å; L471-V497 HydrophobicContact CD2-CG2 3.83Å; W473-V497 HydrophobicContact CE3-CG1 3.88Å; W473-V497 HydrophobicContact CZ3-CG1 4.38Å; V480-V497 HydrophobicContact CG1-CG1 3.65Å; V480-V497 HydrophobicContact CG2-CG1 4.44Å; A482-V497 HydrophobicContact CB-CG2 3.73Å; F484-V497 HydrophobicContact CE2-CG2 4.09Å; F484-V497 HydrophobicContact CZ-CG2 3.82Å; A493-V497 WeakPolarHBondContact O-CG2 3.38Å; A493-V497 PolarHBondContact O-N 3.4Å; I494-V497 PolarHBondContact O-N 3.21Å; I494-V497 VanDerWaalsContact O-N 3.13Å; V497-H499 VanDerWaalsContact C-N 3.27Å; V497-H499 PolarHBondContact O-N 3.39Å; V497-L500 WeakPolarHBondContact O-CB 3.44Å; V497-L500 PolarHBondContact O-N 3.44Å; V497-M501 HydrophobicContact CG1-CG 4.18Å; V497-M501 WeakPolarHBondContact O-CB 3.5Å; V497-M501 VanDerWaalsContact O-CG 3.23Å; V497-M501 WeakPolarHBondContact O-CG 3.48Å; V497-M501 PolarHBondContact O-N 3.32Å
498	E	97.1	Very high	96.3	Very high	97 Å²	97	64.8 Å²	64.8	45%	0.453	30%	0.303	S	S	.	.	H	α-helix	trans	-60.7	-37.3	172.5	-66.8	174.8	157.4	0	0	112.2	W473 I494 S495 R496 M501 R502	W473-E498 HydrophobicContact CH2-CG 4.39Å; W473-E498 HydrophobicContact CZ3-CG 4.12Å; I494-E498 WeakPolarHBondContact O-CG 3.25Å; I494-E498 PolarHBondContact O-N 2.95Å; S495-E498 WeakPolarHBondContact O-CB 3.42Å; S495-E498 PolarHBondContact O-N 3.35Å; R496-E498 VanDerWaalsContact C-N 3.33Å; E498-M501 PolarHBondContact O-N 3.22Å; E498-R502 PolarHBondContact O-N 3.1Å
499	H	97.1	Very high	96.1	Very high	61 Å²	61	68.1 Å²	68.1	28%	0.282	32%	0.324	S	S	.	.	H	α-helix	trans	-64.5	-48.8	172.3	-169.2	-175.6	0	0	0	112	G404 V405 S495 R496 V497 M501 R502 W503	G404-H499 PolarHBondContact O-CE1 2.89Å; G404-H499 VanDerWaalsContact O-CE1 3.31Å; V405-H499 HydrophobicContact CG2-CB 4.34Å; S495-H499 PolarHBondContact O-N 3.32Å; S495-H499 VanDerWaalsContact O-N 3.09Å; R496-H499 WeakPolarHBondContact O-CB 3.34Å; R496-H499 PolarHBondContact O-N 2.81Å; V497-H499 VanDerWaalsContact C-N 3.27Å; V497-H499 PolarHBondContact O-N 3.39Å; H499-M501 VanDerWaalsContact C-N 3.26Å; H499-M501 PolarHBondContact O-N 3.4Å; H499-R502 PolarHBondContact CD2-NH1 3.38Å; H499-R502 VanDerWaalsContact CD2-NH1 3.27Å; H499-R502 PolarHBondContact CD2-NH2 2.53Å; H499-R502 VanDerWaalsContact CG-NH2 3.31Å; H499-R502 WeakPolarHBondContact O-CB 3.35Å; H499-R502 PolarHBondContact O-N 3.38Å; H499-R502 VanDerWaalsContact O-N 3.11Å; H499-W503 PolarHBondContact O-N 3.35Å
500	L	97.3	Very high	96	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-55.4	-43.8	175.3	174.8	62.2	0	0	0	111.3	L403 V405 L408 F411 V480 A482 R496 V497 R502 W503 I504	L403-L500 HydrophobicContact CD1-CD1 3.8Å; V405-L500 HydrophobicContact CG2-CB 4.33Å; L408-L500 HydrophobicContact CD2-CD1 4.32Å; F411-L500 HydrophobicContact CB-CD2 3.73Å; F411-L500 HydrophobicContact CD1-CD1 4.02Å; F411-L500 HydrophobicContact CD1-CD2 4.2Å; F411-L500 HydrophobicContact CD2-CD1 4.35Å; F411-L500 HydrophobicContact CD2-CD2 3.99Å; F411-L500 HydrophobicContact CE1-CD1 3.98Å; F411-L500 HydrophobicContact CE2-CD1 4.33Å; F411-L500 HydrophobicContact CG-CD1 4.2Å; F411-L500 HydrophobicContact CG-CD2 3.7Å; F411-L500 HydrophobicContact CZ-CD1 4.15Å; V480-L500 HydrophobicContact CG2-CD2 4.28Å; A482-L500 HydrophobicContact CB-CD2 4.49Å; R496-L500 PolarHBondContact O-N 2.92Å; V497-L500 WeakPolarHBondContact O-CB 3.44Å; V497-L500 PolarHBondContact O-N 3.44Å; L500-R502 VanDerWaalsContact C-N 3.29Å; L500-R502 PolarHBondContact O-N 3.1Å; L500-W503 HydrophobicContact CD1-CE3 4.17Å; L500-W503 WeakPolarHBondContact O-CB 3.49Å; L500-W503 PolarHBondContact O-N 3.43Å; L500-I504 HydrophobicContact CD1-CD1 4.13Å; L500-I504 HydrophobicContact CD1-CG1 4.2Å; L500-I504 HydrophobicContact CD2-CD1 4.38Å; L500-I504 HydrophobicContact CG-CD1 3.85Å; L500-I504 HydrophobicContact CG-CG1 4.32Å; L500-I504 WeakPolarHBondContact O-CG1 3.36Å; L500-I504 PolarHBondContact O-N 3.27Å
501	M	96.2	Very high	95.8	Very high	32 Å²	32	62.5 Å²	62.5	16%	0.158	30%	0.296	C	S	.	.	H	α-helix	trans	-61.4	-34.4	178.9	-75.4	-53.8	-61.6	0	0	113	Y413 F478 V497 E498 H499 I504 K505	Y413-M501 HydrophobicContact CD2-CE 4.32Å; Y413-M501 HydrophobicContact CD2-SD 3.85Å; Y413-M501 HydrophobicContact CE2-CE 3.51Å; Y413-M501 HydrophobicContact CE2-SD 3.66Å; F478-M501 HydrophobicContact CD1-CE 3.95Å; F478-M501 HydrophobicContact CD2-CE 4.08Å; F478-M501 HydrophobicContact CD2-SD 4.31Å; F478-M501 HydrophobicContact CE1-CE 3.88Å; F478-M501 HydrophobicContact CE2-CE 4.01Å; F478-M501 HydrophobicContact CE2-SD 4.11Å; F478-M501 HydrophobicContact CG-CE 4.07Å; F478-M501 HydrophobicContact CZ-CE 3.91Å; F478-M501 HydrophobicContact CZ-SD 4.43Å; V497-M501 HydrophobicContact CG1-CG 4.18Å; V497-M501 WeakPolarHBondContact O-CB 3.5Å; V497-M501 VanDerWaalsContact O-CG 3.23Å; V497-M501 WeakPolarHBondContact O-CG 3.48Å; V497-M501 PolarHBondContact O-N 3.32Å; E498-M501 PolarHBondContact O-N 3.22Å; H499-M501 VanDerWaalsContact C-N 3.26Å; H499-M501 PolarHBondContact O-N 3.4Å; M501-I504 PolarHBondContact O-N 3.07Å; M501-I504 HydrophobicContact SD-CD1 4.19Å; M501-K505 WeakPolarHBondContact O-CB 3.46Å; M501-K505 PolarHBondContact O-N 2.99Å
502	R	95.9	Very high	95.3	Very high	159 Å²	159	56.3 Å²	56.3	60%	0.6	26%	0.263	S	S	*	.	H	α-helix	trans	-63.6	-40.8	173.1	-73.6	-176.8	-80.7	120.3	-7.9	111.8	E498 H499 L500 K506	E498-R502 PolarHBondContact O-N 3.1Å; H499-R502 PolarHBondContact CD2-NH1 3.38Å; H499-R502 VanDerWaalsContact CD2-NH1 3.27Å; H499-R502 PolarHBondContact CD2-NH2 2.53Å; H499-R502 VanDerWaalsContact CG-NH2 3.31Å; H499-R502 WeakPolarHBondContact O-CB 3.35Å; H499-R502 PolarHBondContact O-N 3.38Å; H499-R502 VanDerWaalsContact O-N 3.11Å; L500-R502 VanDerWaalsContact C-N 3.29Å; L500-R502 PolarHBondContact O-N 3.1Å; R502-K506 PolarHBondContact O-N 3.1Å
503	W	95.3	Very high	94.3	Very high	53 Å²	53	53.2 Å²	53.2	20%	0.201	25%	0.25	C	S	.	.	H	α-helix	trans	-67.5	-47.6	175.3	174.6	84.1	0	0	0	111.7	F398 L403 F411 H499 L500 K505 K506 E507 L511	F398-W503 HydrophobicContact CE2-CH2 4.33Å; F398-W503 HydrophobicContact CE2-CZ2 4.01Å; F398-W503 AromaticContact CZ-CH2 3.95Å; F398-W503 HydrophobicContact CZ-CH2 3.95Å; F398-W503 HydrophobicContact CZ-CZ2 4.04Å; L403-W503 HydrophobicContact CD1-CD2 4.44Å; L403-W503 HydrophobicContact CD1-CE3 4.23Å; L403-W503 HydrophobicContact CD1-CZ3 4.47Å; L403-W503 HydrophobicContact CD2-CD2 3.44Å; L403-W503 VanDerWaalsContact CD2-CD2 3.44Å; L403-W503 HydrophobicContact CD2-CE3 4.02Å; L403-W503 HydrophobicContact CD2-CG 3.74Å; L403-W503 HydrophobicContact CD2-CH2 4.28Å; L403-W503 HydrophobicContact CD2-CZ2 3.73Å; L403-W503 HydrophobicContact CD2-CZ3 4.41Å; F411-W503 HydrophobicContact CE2-CZ3 4.45Å; F411-W503 HydrophobicContact CZ-CH2 4.43Å; F411-W503 AromaticContact CZ-CZ3 3.76Å; F411-W503 HydrophobicContact CZ-CZ3 3.76Å; H499-W503 PolarHBondContact O-N 3.35Å; L500-W503 HydrophobicContact CD1-CE3 4.17Å; L500-W503 WeakPolarHBondContact O-CB 3.49Å; L500-W503 PolarHBondContact O-N 3.43Å; W503-K505 VanDerWaalsContact C-N 3.28Å; W503-K505 PolarHBondContact O-N 3.47Å; W503-K506 WeakPolarHBondContact O-CB 3.35Å; W503-K506 PolarHBondContact O-N 2.76Å; W503-E507 HydrophobicContact CD2-CG 4.39Å; W503-E507 HydrophobicContact CZ2-CB 4.3Å; W503-E507 HydrophobicContact CZ2-CG 3.92Å; W503-E507 PolarHBondContact O-N 2.72Å; W503-L511 HydrophobicContact CH2-CD1 3.66Å; W503-L511 HydrophobicContact CH2-CD2 4.2Å; W503-L511 HydrophobicContact CZ2-CD1 4.45Å; W503-L511 HydrophobicContact CZ3-CD1 3.72Å
504	I	95.3	Very high	93.5	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-57.1	-44.3	178.8	-66.9	176	0	0	0	110.6	F411 Y413 L500 M501 K506 E507 E508	F411-I504 HydrophobicContact CD2-CD1 4.41Å; F411-I504 HydrophobicContact CE2-CD1 4.13Å; Y413-I504 HydrophobicContact CD1-CD1 4.45Å; Y413-I504 HydrophobicContact CD1-CG2 3.82Å; Y413-I504 HydrophobicContact CD2-CD1 3.73Å; Y413-I504 HydrophobicContact CD2-CG2 4.26Å; Y413-I504 HydrophobicContact CE1-CG2 3.72Å; Y413-I504 HydrophobicContact CE2-CD1 4.49Å; Y413-I504 HydrophobicContact CE2-CG2 4.2Å; Y413-I504 HydrophobicContact CG-CD1 3.69Å; Y413-I504 HydrophobicContact CG-CG2 4.06Å; L500-I504 HydrophobicContact CD1-CD1 4.13Å; L500-I504 HydrophobicContact CD1-CG1 4.2Å; L500-I504 HydrophobicContact CD2-CD1 4.38Å; L500-I504 HydrophobicContact CG-CD1 3.85Å; L500-I504 HydrophobicContact CG-CG1 4.32Å; L500-I504 WeakPolarHBondContact O-CG1 3.36Å; L500-I504 PolarHBondContact O-N 3.27Å; M501-I504 PolarHBondContact O-N 3.07Å; M501-I504 HydrophobicContact SD-CD1 4.19Å; I504-K506 VanDerWaalsContact C-N 3.27Å; I504-K506 PolarHBondContact O-N 2.87Å; I504-E507 CarbonylContact O-C 3.51Å; I504-E507 PolarHBondContact O-N 3.29Å; I504-E508 WeakPolarHBondContact O-CA 3.18Å; I504-E508 WeakPolarHBondContact O-CB 3.49Å; I504-E508 PolarHBondContact O-N 2.7Å
505	K	93.8	Very high	93	Very high	162 Å²	162	56.5 Å²	56.5	70%	0.704	27%	0.268	S	S	*	.	H	α-helix	trans	-62.9	-33.3	178.3	-172.1	175	-178	178.7	0	112.7	M501 W503	M501-K505 WeakPolarHBondContact O-CB 3.46Å; M501-K505 PolarHBondContact O-N 2.99Å; W503-K505 VanDerWaalsContact C-N 3.28Å; W503-K505 PolarHBondContact O-N 3.47Å
506	K	94.5	Very high	92.6	Very high	166 Å²	166	56.1 Å²	56.1	72%	0.722	26%	0.262	S	S	*	.	H	α-helix	trans	-71.3	-39.8	175.9	-174.6	-174.7	173.2	-169.3	0	111.6	R502 W503 I504	R502-K506 PolarHBondContact O-N 3.1Å; W503-K506 WeakPolarHBondContact O-CB 3.35Å; W503-K506 PolarHBondContact O-N 2.76Å; I504-K506 VanDerWaalsContact C-N 3.27Å; I504-K506 PolarHBondContact O-N 2.87Å
507	E	93.4	Very high	92.3	Very high	50 Å²	50	54.8 Å²	54.8	23%	0.234	26%	0.26	C	S	.	.	H	α-helix	trans	-94.8	5.7	-177.1	-65.7	-57.8	145.6	0	0	113.8	W503 I504 V509 N510 L511	W503-E507 HydrophobicContact CD2-CG 4.39Å; W503-E507 HydrophobicContact CZ2-CB 4.3Å; W503-E507 HydrophobicContact CZ2-CG 3.92Å; W503-E507 PolarHBondContact O-N 2.72Å; I504-E507 CarbonylContact O-C 3.51Å; I504-E507 PolarHBondContact O-N 3.29Å; E507-V509 PolarHBondContact O-N 2.88Å; E507-N510 PolarHBondContact O-N 3.09Å; E507-N510 PolarHBondContact OE2-ND2 3.19Å; E507-L511 HydrophobicContact CB-CD1 3.69Å; E507-L511 HydrophobicContact CB-CG 3.95Å; E507-L511 WeakPolarHBondContact O-CG 3.49Å; E507-L511 PolarHBondContact O-N 3.47Å
508	E	92.2	Very high	92	Very high	54 Å²	54	59 Å²	59	25%	0.252	29%	0.285	S	S	.	.	H	α-helix	trans	-54.3	-36	-172.5	-174.3	178.6	176	0	0	112.6	Q415 I504 N510 L512 S513	Q415-E508 PolarHBondContact NE2-OE1 3.01Å; I504-E508 WeakPolarHBondContact O-CA 3.18Å; I504-E508 WeakPolarHBondContact O-CB 3.49Å; I504-E508 PolarHBondContact O-N 2.7Å; E508-N510 VanDerWaalsContact C-N 3.34Å; E508-N510 PolarHBondContact O-N 2.93Å; E508-L512 CarbonylContact O-C 3.59Å; E508-L512 PolarHBondContact O-N 3.14Å; E508-S513 PolarHBondContact O-N 3.38Å; E508-S513 PolarHBondContact O-OG 3.11Å
509	V	92.5	Very high	91.7	Very high	71 Å²	71	57 Å²	57	43%	0.43	28%	0.276	S	S	.	.	H	α-helix	trans	-69.2	-33.3	179.6	-161.1	0	0	0	0	112.3	S260 E507 S513	S260-V509 VanDerWaalsContact CB-CG1 3.4Å; E507-V509 PolarHBondContact O-N 2.88Å; V509-S513 WeakPolarHBondContact CA-OG 3.22Å; V509-S513 WeakPolarHBondContact O-CB 3.09Å
510	N	94.1	Very high	91.4	Very high	49 Å²	49	56.8 Å²	56.8	26%	0.262	28%	0.275	S	S	.	.	H	α-helix	trans	-83.3	-35.5	179.4	-60.8	-35.5	0	0	0	111.7	M258 S260 R263 E507 E508	M258-N510 PolarHBondContact N-O 3.07Å; M258-N510 VanDerWaalsContact N-O 3.13Å; M258-N510 CarbonylContact O-C 3.6Å; M258-N510 VanDerWaalsContact O-CA 3.25Å; M258-N510 WeakPolarHBondContact O-CA 3.35Å; S260-N510 PolarHBondContact N-OD1 2.88Å; R263-N510 PolarHBondContact NH2-O 3.34Å; R263-N510 VanDerWaalsContact NH2-O 3.09Å; E507-N510 PolarHBondContact O-N 3.09Å; E507-N510 PolarHBondContact OE2-ND2 3.19Å; E508-N510 VanDerWaalsContact C-N 3.34Å; E508-N510 PolarHBondContact O-N 2.93Å
511	L	92.4	Very high	91.1	Very high	7 Å²	7	59.8 Å²	59.8	4%	0.037	29%	0.29	C	S	.	.	H	α-helix	trans	-82.7	-42.2	-176.2	-61.6	173.1	0	0	0	113.5	A257 T422 W503 E507	A257-L511 HydrophobicContact CB-CD2 3.73Å; T422-L511 HydrophobicContact CG2-CB 4.33Å; T422-L511 HydrophobicContact CG2-CD1 4.36Å; W503-L511 HydrophobicContact CH2-CD1 3.66Å; W503-L511 HydrophobicContact CH2-CD2 4.2Å; W503-L511 HydrophobicContact CZ2-CD1 4.45Å; W503-L511 HydrophobicContact CZ3-CD1 3.72Å; E507-L511 HydrophobicContact CB-CD1 3.69Å; E507-L511 HydrophobicContact CB-CG 3.95Å; E507-L511 WeakPolarHBondContact O-CG 3.49Å; E507-L511 PolarHBondContact O-N 3.47Å
512	L	86.6	Confident	90.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-142	14.9	-160.2	-59.8	166.6	0	0	0	114.3	Y413 Q415 R418 Q420 T422 E508 L514	Y413-L512 HydrophobicContact CD1-CD1 3.43Å; Y413-L512 VanDerWaalsContact CD1-CD1 3.43Å; Y413-L512 HydrophobicContact CE1-CD1 3.31Å; Q415-L512 HydrophobicContact CB-CD1 4.26Å; R418-L512 PolarHBondContact NH1-O 2.87Å; Q420-L512 HydrophobicContact CB-CD2 4.1Å; Q420-L512 PolarHBondContact OE1-O 3.42Å; T422-L512 HydrophobicContact CG2-CD1 4.32Å; T422-L512 HydrophobicContact CG2-CD2 4.15Å; T422-L512 HydrophobicContact CG2-CG 4.34Å; E508-L512 CarbonylContact O-C 3.59Å; E508-L512 PolarHBondContact O-N 3.14Å; L512-L514 PolarHBondContact O-N 3.14Å
513	S	78.1	Confident	90.6	Very high	17 Å²	17	55.6 Å²	55.6	12%	0.119	28%	0.28	C	S	.	.			trans	-100	61.7	178.9	-64.9	0	0	0	0	114	R263 R418 E508 V509 N515	R263-S513 VanDerWaalsContact CD-O 3.28Å; R263-S513 WeakPolarHBondContact CD-O 3.39Å; R418-S513 VanDerWaalsContact NH1-CA 3.31Å; R418-S513 PolarHBondContact NH1-OG 3.4Å; E508-S513 PolarHBondContact O-N 3.38Å; E508-S513 PolarHBondContact O-OG 3.11Å; V509-S513 WeakPolarHBondContact CA-OG 3.22Å; V509-S513 WeakPolarHBondContact O-CB 3.09Å; S513-N515 PolarHBondContact O-N 3.44Å
514	L	80.6	Confident	90.3	Very high	10 Å²	10	55.8 Å²	55.8	5%	0.052	28%	0.284	C	S	.	.			trans	-76.5	103.4	164.7	-176	104.3	0	0	0	110.3	L291 M294 L512	L291-L514 HydrophobicContact CD2-CD1 3.48Å; L291-L514 VanDerWaalsContact CD2-CD1 3.48Å; L291-L514 HydrophobicContact CD2-CD2 3.31Å; L291-L514 HydrophobicContact CD2-CG 3.98Å; L291-L514 HydrophobicContact CG-CD1 3.73Å; L291-L514 HydrophobicContact CG-CD2 4.45Å; M294-L514 HydrophobicContact CE-CD2 3.79Å; M294-L514 HydrophobicContact CG-CD2 4.19Å; M294-L514 HydrophobicContact SD-CD2 4.22Å; L512-L514 PolarHBondContact O-N 3.14Å
515	N	86.1	Confident	89.9	Confident	94 Å²	94	59.4 Å²	59.4	50%	0.503	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-85.4	134.7	162.7	-67.9	-35.5	0	0	0	109	T267 S513	T267-N515 WeakPolarHBondContact CG2-O 3.42Å; S513-N515 PolarHBondContact O-N 3.44Å
516	V	90.7	Very high	89.6	Confident	61 Å²	61	52.1 Å²	52.1	37%	0.37	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-82.1	123	176.2	-173.9	0	0	0	0	108.7	M294 C296 V518	M294-V516 HydrophobicContact CE-CB 4.42Å; M294-V516 HydrophobicContact CE-CG1 4.32Å; M294-V516 HydrophobicContact CE-CG2 3.3Å; M294-V516 HydrophobicContact CG-CG1 4.22Å; M294-V516 HydrophobicContact CG-CG2 4.31Å; C296-V516 HydrophobicContact CB-CG1 4.41Å; C296-V516 VanDerWaalsContact SG-CG1 3.56Å; V516-V518 PolarHBondContact O-N 3.46Å
517	G	91	Very high	89.3	Confident	7 Å²	7	43.3 Å²	43.3	7%	0.072	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	132.5	172.1	0	0	0	0	0	109.9	M294 S295 C296	M294-G517 PolarHBondContact O-N 3.36Å; S295-G517 CarbonylContact C-O 3.54Å; S295-G517 WeakPolarHBondContact CA-O 3.45Å; S295-G517 VanDerWaalsContact CB-O 3.24Å; S295-G517 WeakPolarHBondContact CB-O 3.43Å; C296-G517 PolarHBondContact N-O 3.05Å
518	V	92.4	Very high	88.9	Confident	89 Å²	89	42.8 Å²	42.8	54%	0.539	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	131.5	171.7	-177.3	0	0	0	0	108.5	C296 K298 V516	C296-V518 WeakPolarHBondContact O-CA 3.4Å; K298-V518 HydrophobicContact CB-CG1 3.91Å; K298-V518 HydrophobicContact CG-CG1 4.34Å; V516-V518 PolarHBondContact O-N 3.46Å
519	H	90.5	Very high	88.6	Confident	54 Å²	54	41.7 Å²	41.7	25%	0.25	24%	0.239	C	C	.	.			trans	-123.2	0	175.6	62.4	-101.8	0	0	0	113.6	S271 C274 A275 V280 S295 C296 T297 K298	S271-H519 WeakPolarHBondContact O-CB 3.39Å; C274-H519 HydrophobicContact CB-CB 4.09Å; C274-H519 VanDerWaalsContact CB-CG 3.48Å; C274-H519 WeakPolarHBondContact CB-ND1 3.32Å; A275-H519 HydrophobicContact CB-CB 4.08Å; V280-H519 PolarHBondContact O-NE2 2.92Å; S295-H519 PolarHBondContact OG-ND1 3.5Å; C296-H519 PolarHBondContact O-N 2.97Å; C296-H519 PolarHBondContact O-ND1 3.04Å; T297-H519 WeakPolarHBondContact CA-O 3.34Å; K298-H519 PolarHBondContact N-O 2.92Å

Retrieved 519 of 519 residues in 331 ms (Link to these results)

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