A0A087Y4P0_POEFO Loading...

Mbt domain containing 1

AlphaFold DB , UniProt , Accession A0A087Y4P0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 698 aa.

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(Predicted Aligned Error values between residue pairs)

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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	32.7	Very low	33.5	Very low	217 Å²	217	152.6 Å²	152.6	100%	1.069	78%	0.779	S	S	*	*				0	95.1	0	-65.3	176.7	-178.7	0	0	108
2	E	34.2	Very low	33.1	Very low	177 Å²	177	147 Å²	147	83%	0.827	77%	0.772	S	S	*	*			cis	60.1	140.1	15.1	-50.3	155.6	121.7	0	0	112.4
3	D	37.2	Very low	32.8	Very low	130 Å²	130	154.5 Å²	154.5	70%	0.695	78%	0.784	S	S	*	*			cis	-162.3	164.7	-12.2	-148.8	56.2	0	0	0	106.8
4	A	39.3	Very low	32.5	Very low	70 Å²	70	151.4 Å²	151.4	58%	0.579	78%	0.783	S	S	*	*			cis	-168.7	-159.6	-46.6	0	0	0	0	0	106.8
5	R	38.9	Very low	32.3	Very low	222 Å²	222	149.1 Å²	149.1	84%	0.838	77%	0.767	S	S	*	*			trans	72.4	157.1	170.3	-52.6	175	-162.2	-164.5	2.1	112.3
6	D	32.9	Very low	32.2	Very low	158 Å²	158	153.5 Å²	153.5	85%	0.845	77%	0.771	S	S	*	*			cis	-144.4	-171.3	41.1	-139	-22.7	0	0	0	116
7	L	33.7	Very low	32.1	Very low	153 Å²	153	154.5 Å²	154.5	80%	0.801	77%	0.77	S	S	*	*			trans	-136.1	163	-154.5	-135.8	144.7	0	0	0	114.6
8	A	31.7	Very low	31.9	Very low	84 Å²	84	159.1 Å²	159.1	69%	0.694	78%	0.776	S	S	*	*			trans	68.9	169.1	159.4	0	0	0	0	0	119.2
9	E	31.8	Very low	31.9	Very low	142 Å²	142	161.7 Å²	161.7	66%	0.664	78%	0.777	S	S	*	*			cis	-157.9	155.5	-48.2	-106.9	-154.7	132.9	0	0	111.5
10	R	28.7	Very low	31.7	Very low	189 Å²	189	159.3 Å²	159.3	71%	0.713	77%	0.768	S	S	*	*			trans	58.3	114.4	144.9	-68.5	-178.7	-162	-170.7	17.2	125.1
11	T	27.6	Very low	31.8	Very low	137 Å²	137	155.4 Å²	155.4	84%	0.84	76%	0.758	S	S	*	*				67	155.9	129.5	55.2	0	0	0	0	122.3
12	A	28.7	Very low	31.6	Very low	85 Å²	85	154.4 Å²	154.4	70%	0.702	75%	0.748	S	S	*	*			cis	-170.4	179.7	-13.8	0	0	0	0	0	113.1
13	R	28.8	Very low	31.4	Very low	245 Å²	245	149.1 Å²	149.1	93%	0.925	74%	0.741	S	S	*	*			trans	75.4	151.9	172.1	-65.7	-179.3	171.6	173.3	-2.3	116.2
14	S	29.3	Very low	31.3	Very low	111 Å²	111	151.3 Å²	151.3	78%	0.776	75%	0.749	S	S	*	*			cis	-168.6	-175.9	-17.2	51	0	0	0	0	107.8
15	E	29.5	Very low	30.7	Very low	116 Å²	116	156.5 Å²	156.5	54%	0.542	76%	0.759	S	S	.	*			cis	-160.2	-171.6	13.8	-163	-104.8	-59.1	0	0	108.8	K17	E15-K17 WeakPolarHBondContact OE2-CD 3.37Å
16	R	29.7	Very low	30.4	Very low	220 Å²	220	153.2 Å²	153.2	83%	0.83	76%	0.758	S	S	*	*			trans	83.6	137.4	162.3	-58.2	-172.9	178.9	179	1.3	120.8
17	K	31	Very low	30.1	Very low	171 Å²	171	149.6 Å²	149.6	74%	0.743	76%	0.758	S	S	*	*				169.8	117	-60	173.1	176.8	-176.6	174	0	113.5	E15	E15-K17 WeakPolarHBondContact OE2-CD 3.37Å
18	R	28.2	Very low	30	Very low	236 Å²	236	152.3 Å²	152.3	89%	0.891	76%	0.759	S	S	*	*			trans	176.2	129.7	145.2	-98.2	164.1	178.4	-178.3	-0.7	107.5
19	R	31.6	Very low	29.8	Very low	209 Å²	209	155.5 Å²	155.5	79%	0.789	76%	0.764	S	S	*	*				72.4	137	56.8	-86.3	-162.6	133.8	164.5	7.3	113.6
20	D	28.7	Very low	30	Very low	113 Å²	113	153.1 Å²	153.1	60%	0.604	76%	0.763	S	S	*	*			cis	-138	144.3	9.8	-96.7	-51.8	0	0	0	110.8
21	S	33.3	Very low	29.9	Very low	79 Å²	79	150.6 Å²	150.6	55%	0.552	77%	0.773	S	S	*	*				75.1	139.9	87.7	-154.2	0	0	0	0	113.9
22	F	28.6	Very low	30.1	Very low	195 Å²	195	149.4 Å²	149.4	86%	0.855	77%	0.771	S	S	*	*			cis	-117.8	-169.8	14.4	-59	-98.7	0	0	0	110.5
23	G	30.7	Very low	30.1	Very low	66 Å²	66	153.9 Å²	153.9	68%	0.68	78%	0.777	S	S	*	*			cis	86.5	139.9	13.3	0	0	0	0	0	112.5
24	M	34.3	Very low	30.1	Very low	176 Å²	176	150.3 Å²	150.3	87%	0.867	77%	0.771	S	S	*	*			cis	-132.4	-157	-4.2	-61.9	-173.3	71.2	0	0	107.7
25	F	26.5	Very low	30.2	Very low	180 Å²	180	149.7 Å²	149.7	79%	0.789	77%	0.766	S	S	*	*			cis	-160.1	157.4	12.3	-177.5	-92.1	0	0	0	109
26	D	32.6	Very low	30.1	Very low	153 Å²	153	150 Å²	150	82%	0.818	78%	0.776	S	S	*	*			trans	-107.1	163.8	-171.2	-68.9	-67.9	0	0	0	114.7
27	G	27.3	Very low	30	Very low	81 Å²	81	144.6 Å²	144.6	84%	0.835	77%	0.772	S	S	*	*			trans	-154.8	116.7	170.6	0	0	0	0	0	111
28	Y	30.8	Very low	29.9	Very low	211 Å²	211	141.7 Å²	141.7	83%	0.827	77%	0.773	S	S	*	*			trans	-124.2	131.5	-170.2	-162.8	-84.1	0	0	0	108.8
29	D	27.6	Very low	29.9	Very low	151 Å²	151	136.1 Å²	136.1	81%	0.807	77%	0.77	S	S	*	*			trans	-161.9	166.5	138.3	-133.7	-27.2	0	0	0	113.4
30	S	35.8	Very low	29.9	Very low	91 Å²	91	130.6 Å²	130.6	64%	0.636	76%	0.764	S	S	*	*			trans	-130.8	139.2	173.1	-64.7	0	0	0	0	110.4
31	C	26.4	Very low	29.9	Very low	137 Å²	137	128.9 Å²	128.9	93%	0.926	76%	0.761	S	S	*	*			trans	-154.5	163.1	162.1	-118.2	0	0	0	0	111.3
32	S	31.8	Very low	29.8	Very low	112 Å²	112	133.8 Å²	133.8	78%	0.783	78%	0.775	S	S	*	*			trans	-116.5	-167.5	-167.1	-56.9	0	0	0	0	112.2
33	E	29.9	Very low	29.9	Very low	178 Å²	178	131.2 Å²	131.2	83%	0.832	77%	0.77	S	S	*	*			trans	95.4	98.8	156	-46.8	-155.2	154.2	0	0	118.6
34	E	29.1	Very low	30	Very low	171 Å²	171	132.2 Å²	132.2	80%	0.799	77%	0.767	S	S	*	*				32	147.3	117.7	-49.7	-48.7	125.6	0	0	122.2
35	S	30.1	Very low	29.9	Very low	97 Å²	97	132.6 Å²	132.6	68%	0.678	77%	0.767	S	S	*	*			trans	114.3	100.2	142	-50	0	0	0	0	120.2
36	T	27.7	Very low	29.9	Very low	123 Å²	123	131.1 Å²	131.1	76%	0.755	77%	0.767	S	S	*	*				57.7	130.3	127.9	60.6	0	0	0	0	124.1
37	S	28.5	Very low	29.7	Very low	107 Å²	107	131.9 Å²	131.9	75%	0.748	77%	0.771	S	S	*	*			trans	70.6	163	136.9	71.5	0	0	0	0	119.8
38	S	28.3	Very low	29.9	Very low	109 Å²	109	133 Å²	133	76%	0.762	76%	0.761	S	S	*	*			cis	-174.4	157.4	-30.6	-86.7	0	0	0	0	108.8
39	S	29.1	Very low	29.7	Very low	119 Å²	119	128.7 Å²	128.7	83%	0.832	76%	0.757	S	S	*	*			trans	65.7	161.1	167.8	-82.8	0	0	0	0	117.4
40	S	30	Very low	29.7	Very low	93 Å²	93	133.5 Å²	133.5	65%	0.65	76%	0.763	S	S	*	*			cis	-167	178.5	-15.4	49.9	0	0	0	0	110.2
41	S	29.5	Very low	29.4	Very low	78 Å²	78	134.1 Å²	134.1	55%	0.545	77%	0.768	S	S	.	*			trans	62.5	115.8	151.6	44.1	0	0	0	0	118.2
42	E	30.9	Very low	29.7	Very low	182 Å²	182	135.2 Å²	135.2	85%	0.85	76%	0.763	S	S	*	*				76.2	139.6	89.4	-66	140.4	-134	0	0	112.3
43	D	30.9	Very low	29.7	Very low	140 Å²	140	135 Å²	135	75%	0.749	76%	0.759	S	S	*	*			cis	-153.3	174.4	17.7	-153.8	-15.6	0	0	0	112.2
44	S	32.3	Very low	30.5	Very low	88 Å²	88	131.5 Å²	131.5	62%	0.615	76%	0.76	S	S	*	*			trans	16.4	157.8	147.5	-66	0	0	0	0	122.8
45	E	32.4	Very low	31.3	Very low	184 Å²	184	128.3 Å²	128.3	86%	0.86	76%	0.757	S	S	*	*			cis	-156.9	-170.3	10.5	29.5	-166.8	84.3	0	0	112.7
46	D	27.9	Very low	31.5	Very low	149 Å²	149	130.3 Å²	130.3	80%	0.797	76%	0.759	S	S	*	*			trans	-61.8	153.3	-164	-74.7	-90.5	0	0	0	120.4	V48	D46-V48 HydrophobicContact CB-CG2 4.44Å
47	D	28.3	Very low	31.9	Very low	168 Å²	168	128.6 Å²	128.6	90%	0.898	75%	0.75	S	S	*	*			trans	-149.6	151.4	134.3	-156.2	-8.7	0	0	0	110.8
48	V	30.7	Very low	32.4	Very low	104 Å²	104	129.2 Å²	129.2	63%	0.63	74%	0.744	S	S	*	*			trans	-129.4	148	-153.5	-152.8	0	0	0	0	115.3	D46	D46-V48 HydrophobicContact CB-CG2 4.44Å
49	V	27.4	Very low	33.2	Very low	121 Å²	121	129.2 Å²	129.2	73%	0.733	73%	0.734	S	S	*	*			trans	78.6	99.9	165.2	-163.1	0	0	0	0	118
50	R	26.8	Very low	33.6	Very low	252 Å²	252	131.2 Å²	131.2	95%	0.951	73%	0.728	S	S	*	*				-162.9	136.7	111.4	-102.5	164.1	-162.7	-176.3	6.5	111.2
51	S	30.7	Very low	34	Very low	104 Å²	104	131.6 Å²	131.6	73%	0.727	72%	0.723	S	S	*	*			trans	-122.7	178.3	-171.5	54.4	0	0	0	0	112.4
52	I	32	Very low	34.3	Very low	160 Å²	160	135.3 Å²	135.3	82%	0.821	74%	0.736	S	S	*	*			trans	83.7	132.6	176.7	-50.5	168.1	0	0	0	114.5
53	P	32.4	Very low	35	Very low	109 Å²	109	130.4 Å²	130.4	71%	0.708	74%	0.735	S	S	*	*			cis	-124.1	161.4	-18.1	36.2	-21.1	0	0	0	114.2
54	A	46.2	Very low	35.3	Very low	104 Å²	104	129.5 Å²	129.5	86%	0.86	73%	0.726	S	S	*	*			trans	-82.1	116	164.6	0	0	0	0	0	111.1
55	S	45.3	Very low	35.5	Very low	103 Å²	103	129.2 Å²	129.2	72%	0.72	72%	0.72	S	S	*	*			trans	-180	96.3	152.7	32.6	0	0	0	0	113.1
56	L	34.2	Very low	36	Very low	139 Å²	139	127.9 Å²	127.9	73%	0.728	71%	0.708	S	S	*	*			trans	-134.4	132.6	157.4	-74.8	177.9	0	0	0	109.4	I58	L56-I58 PolarHBondContact O-N 3.07Å; L56-I58 VanDerWaalsContact O-N 3.16Å
57	P	36.4	Very low	36.7	Very low	87 Å²	87	126.5 Å²	126.5	57%	0.565	71%	0.706	S	S	*	*			trans	-76.1	105.6	-176.3	29.5	-33.6	0	0	0	111.2	I59	P57-I59 PolarHBondContact O-N 3.35Å
58	I	39.8	Very low	37.6	Very low	120 Å²	120	124.5 Å²	124.5	62%	0.615	69%	0.686	S	S	*	*			trans	-75.2	112.8	172	-58.9	174.4	0	0	0	108.6	L56 K60 V65	L56-I58 PolarHBondContact O-N 3.07Å; L56-I58 VanDerWaalsContact O-N 3.16Å; I58-K60 HydrophobicContact CG2-CG 4.3Å; I58-V65 HydrophobicContact CG2-CG1 4.18Å
59	I	43.5	Very low	38	Very low	109 Å²	109	125.1 Å²	125.1	56%	0.559	69%	0.692	S	S	*	*			trans	-103.1	113	173.5	-57.3	176.9	0	0	0	108.1	P57	P57-I59 PolarHBondContact O-N 3.35Å
60	K	38.8	Very low	39.1	Very low	162 Å²	162	125 Å²	125	70%	0.704	69%	0.688	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.1	133.8	173.3	-63.6	-176.1	178.1	-179.8	0	109.7	I58 V65	I58-K60 HydrophobicContact CG2-CG 4.3Å; K60-V65 HydrophobicContact CG-CG2 4.44Å
61	N	37.2	Very low	40.2	Very low	101 Å²	101	116.5 Å²	116.5	54%	0.54	68%	0.678	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-150.6	139.3	171	-166.9	15.6	0	0	0	109.7	G63 Q64	N61-G63 PolarHBondContact O-N 3.15Å; N61-G63 VanDerWaalsContact O-N 3.11Å; N61-Q64 PolarHBondContact O-N 3.31Å
62	N	36	Very low	41.3	Very low	156 Å²	156	119.3 Å²	119.3	83%	0.834	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	44	40.4	-174.8	-70.6	13.9	0	0	0	114.8	Q64	N62-Q64 PolarHBondContact O-N 2.73Å; N62-Q64 VanDerWaalsContact O-N 3.08Å
63	G	46.1	Very low	42.5	Very low	79 Å²	79	114.1 Å²	114.1	81%	0.814	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	76.7	-17.3	173.8	0	0	0	0	0	116.8	N61	N61-G63 PolarHBondContact O-N 3.15Å; N61-G63 VanDerWaalsContact O-N 3.11Å
64	Q	36.1	Very low	44.2	Very low	120 Å²	120	110.6 Å²	110.6	56%	0.561	64%	0.642	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87	145	176.6	-70.5	-169.4	-18.6	0	0	112.3	N61 N62 Y66	N61-Q64 PolarHBondContact O-N 3.31Å; N62-Q64 PolarHBondContact O-N 2.73Å; N62-Q64 VanDerWaalsContact O-N 3.08Å; Q64-Y66 HydrophobicContact CB-CE2 4.28Å; Q64-Y66 PolarHBondContact OE1-OH 3.34Å
65	V	38.5	Very low	45.7	Very low	83 Å²	83	113 Å²	113	50%	0.503	64%	0.638	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.2	122.9	176.3	179.7	0	0	0	0	108.3	I58 K60	I58-V65 HydrophobicContact CG2-CG1 4.18Å; K60-V65 HydrophobicContact CG-CG2 4.44Å
66	Y	42.5	Very low	47.4	Very low	155 Å²	155	108.9 Å²	108.9	61%	0.608	61%	0.61	S	S	*	*			trans	-109.1	107.3	174.4	-60.7	-71.4	0	0	0	110.2	Q64	Q64-Y66 HydrophobicContact CB-CE2 4.28Å; Q64-Y66 PolarHBondContact OE1-OH 3.34Å
67	T	41.8	Very low	49.7	Very low	120 Å²	120	106.1 Å²	106.1	74%	0.736	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-78.2	144.7	161.2	25	0	0	0	0	109.7	P69	T67-P69 VanDerWaalsContact O-CD 3.25Å; T67-P69 WeakPolarHBondContact O-CD 3.44Å
68	Y	46.8	Very low	51.9	Low	126 Å²	126	102 Å²	102	49%	0.494	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-80.9	119.7	-175	-66.9	-91.3	0	0	0	112.5	V86	Y68-V86 HydrophobicContact CE1-CG2 4.23Å
69	P	40.2	Very low	53.9	Low	117 Å²	117	100.7 Å²	100.7	76%	0.76	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-93.7	129.3	164.8	2.2	20.4	0	0	0	109.8	T67 G71	T67-P69 VanDerWaalsContact O-CD 3.25Å; T67-P69 WeakPolarHBondContact O-CD 3.44Å; P69-G71 PolarHBondContact O-N 3.21Å
70	D	49.2	Very low	55.6	Low	120 Å²	120	98.4 Å²	98.4	64%	0.642	55%	0.551	S	S	*	*	S	Bend	trans	59.5	14.3	157.1	-165.5	29.2	0	0	0	118.2	K72	D70-K72 WeakPolarHBondContact O-CD 3.1Å; D70-K72 WeakPolarHBondContact O-CG 3.32Å; D70-K72 PolarHBondContact O-N 3.16Å; D70-K72 IonicContact OD1-NZ 3.18Å; D70-K72 PolarHBondContact OD1-NZ 2.89Å; D70-K72 WeakPolarHBondContact OD2-CD 3.4Å; D70-K72 IonicContact OD2-NZ 2.61Å; D70-K72 PolarHBondContact OD2-NZ 2.68Å
71	G	50.7	Low	57.2	Low	72 Å²	72	93 Å²	93	74%	0.742	53%	0.533	S	S	*	.	S	Bend	trans	61.8	-3.1	158	0	0	0	0	0	119.4	P69	P69-G71 PolarHBondContact O-N 3.21Å
72	K	52.8	Low	58.9	Low	163 Å²	163	90.4 Å²	90.4	71%	0.709	53%	0.53	S	S	*	.			trans	-84.3	-12.5	-171.1	-75.4	146.5	178.9	143	0	114.8	D70 G74	D70-K72 WeakPolarHBondContact O-CD 3.1Å; D70-K72 WeakPolarHBondContact O-CG 3.32Å; D70-K72 PolarHBondContact O-N 3.16Å; D70-K72 IonicContact OD1-NZ 3.18Å; D70-K72 PolarHBondContact OD1-NZ 2.89Å; D70-K72 WeakPolarHBondContact OD2-CD 3.4Å; D70-K72 IonicContact OD2-NZ 2.61Å; D70-K72 PolarHBondContact OD2-NZ 2.68Å; K72-G74 PolarHBondContact O-N 2.82Å
73	A	57.4	Low	60.4	Low	51 Å²	51	87.4 Å²	87.4	42%	0.421	51%	0.512	S	S	.	.			trans	-82.9	101.2	178.9	0	0	0	0	0	111.2	V86	A73-V86 HydrophobicContact CB-CG1 3.66Å
74	G	68.7	Low	62.1	Low	36 Å²	36	87.6 Å²	87.6	37%	0.371	50%	0.497	S	S	.	.			trans	-62.4	158.7	179.2	0	0	0	0	0	113.6	K72 R87	K72-G74 PolarHBondContact O-N 2.82Å; G74-R87 WeakPolarHBondContact O-CB 3.49Å; G74-R87 PolarHBondContact O-N 3.17Å
75	M	78	Confident	64.2	Low	155 Å²	155	82.9 Å²	82.9	76%	0.764	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	153.9	174.7	-70.4	-176.2	-81.3	0	0	112.6	V84 G85	M75-V84 HydrophobicContact CB-CG1 4.4Å; M75-V84 HydrophobicContact SD-CG1 4.29Å; M75-G85 CarbonylContact C-O 3.1Å; M75-G85 WeakPolarHBondContact CA-O 3.25Å
76	A	79.8	Confident	66.2	Low	16 Å²	16	81.3 Å²	81.3	13%	0.132	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	158.3	171	0	0	0	0	0	111.3	V84 G85 R87 F90	A76-V84 VanDerWaalsContact O-CA 3.32Å; A76-V84 WeakPolarHBondContact O-CA 3.39Å; A76-G85 PolarHBondContact N-O 2.86Å; A76-G85 PolarHBondContact O-N 3.38Å; A76-R87 HydrophobicContact CB-CB 3.84Å; A76-R87 HydrophobicContact CB-CG 3.92Å; A76-F90 HydrophobicContact CB-CD1 3.87Å; A76-F90 HydrophobicContact CB-CE1 3.77Å; A76-F90 HydrophobicContact CB-CE2 4.43Å; A76-F90 HydrophobicContact CB-CG 4.25Å; A76-F90 HydrophobicContact CB-CZ 4.08Å; A76-F90 WeakPolarHBondContact O-CZ 3.29Å
77	T	83	Confident	67.9	Low	81 Å²	81	79.9 Å²	79.9	50%	0.497	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.6	178.7	-51.8	0	0	0	0	109.7	E79 G82 M83 V84	T77-E79 PolarHBondContact O-N 3.19Å; T77-G82 WeakPolarHBondContact CG2-O 3.44Å; T77-M83 CarbonylContact C-O 3.5Å; T77-M83 WeakPolarHBondContact CA-O 3.48Å; T77-V84 HydrophobicContact CG2-CG2 4.03Å
78	C	83.2	Confident	69.5	Low	1 Å²	1	78.1 Å²	78.1	1%	0.007	45%	0.451	C	S	.	.			trans	-74.4	118.8	-175.6	178.8	0	0	0	0	110.8	M80 C81 G82 M83 F90 C98	C78-M80 PolarHBondContact O-N 3Å; C78-C81 PolarHBondContact O-N 3.06Å; C78-C81 PolarHBondContact SG-SG 3.02Å; C78-G82 WeakPolarHBondContact O-CA 3.48Å; C78-G82 PolarHBondContact O-N 3.13Å; C78-M83 HydrophobicContact CB-CB 4.26Å; C78-M83 PolarHBondContact N-O 3.17Å; C78-F90 HydrophobicContact CB-CE1 3.99Å; C78-F90 HydrophobicContact CB-CZ 4.4Å; C78-C98 HydrophobicContact CB-CB 4.16Å; C78-C98 PolarHBondContact SG-N 2.72Å; C78-C98 VanDerWaalsContact SG-N 3.37Å; C78-C98 VanDerWaalsContact SG-SG 3.63Å
79	E	81.7	Confident	70.9	Confident	91 Å²	91	75.9 Å²	75.9	43%	0.425	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-3.1	-174.9	-78.9	-170.8	-132.3	0	0	115.6	T77 R96 F97 Y106	T77-E79 PolarHBondContact O-N 3.19Å; E79-R96 PolarHBondContact N-O 3.43Å; E79-R96 VanDerWaalsContact N-O 3.09Å; E79-R96 IonicContact OE1-CZ 3.91Å; E79-R96 IonicContact OE1-NE 3.4Å; E79-R96 PolarHBondContact OE1-NE 3.36Å; E79-R96 IonicContact OE1-NH2 3.67Å; E79-R96 PolarHBondContact OE1-NH2 2.8Å; E79-R96 IonicContact OE2-CZ 3.97Å; E79-R96 IonicContact OE2-NH2 2.75Å; E79-R96 PolarHBondContact OE2-NH2 3.09Å; E79-F97 HydrophobicContact CB-CD1 4.47Å; E79-F97 HydrophobicContact CB-CE1 3.95Å; E79-Y106 HydrophobicContact CB-CD2 4.18Å; E79-Y106 HydrophobicContact CB-CE2 3.77Å; E79-Y106 WeakPolarHBondContact OE2-CE2 3.48Å; E79-Y106 PolarHBondContact OE2-OH 3.4Å
80	M	78.4	Confident	73	Confident	61 Å²	61	70.9 Å²	70.9	30%	0.3	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-47.2	171.8	-81.3	-57.7	-63.3	0	0	114.7	C78 F97 C102 Y106	C78-M80 PolarHBondContact O-N 3Å; M80-F97 HydrophobicContact CG-CE1 4.42Å; M80-C102 HydrophobicContact CB-CB 4.17Å; M80-C102 VanDerWaalsContact CG-O 3.31Å; M80-C102 WeakPolarHBondContact CG-O 3.26Å; M80-Y106 HydrophobicContact CG-CD2 3.84Å; M80-Y106 HydrophobicContact CG-CG 4.22Å; M80-Y106 WeakPolarHBondContact SD-CA 3.49Å; M80-Y106 HydrophobicContact SD-CD2 3.68Å; M80-Y106 HydrophobicContact SD-CG 4.14Å
81	C	73	Confident	74.1	Confident	50 Å²	50	70.2 Å²	70.2	34%	0.338	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-5.3	-173.2	64.1	0	0	0	0	114.1	C78 M83	C78-C81 PolarHBondContact O-N 3.06Å; C78-C81 PolarHBondContact SG-SG 3.02Å; C81-M83 PolarHBondContact O-N 2.72Å; C81-M83 VanDerWaalsContact SG-CB 3.55Å
82	G	72.1	Confident	75	Confident	45 Å²	45	68.4 Å²	68.4	46%	0.464	39%	0.39	S	S	.	.			trans	74.6	-3.2	-178.8	0	0	0	0	0	115.3	T77 C78 V84	T77-G82 WeakPolarHBondContact CG2-O 3.44Å; C78-G82 WeakPolarHBondContact O-CA 3.48Å; C78-G82 PolarHBondContact O-N 3.13Å; G82-V84 PolarHBondContact O-N 2.86Å
83	M	69.1	Low	75.9	Confident	93 Å²	93	71 Å²	71	46%	0.458	40%	0.401	S	S	.	.			trans	-54.1	127	175.9	178.9	-177	-78.2	0	0	111	T77 C78 C81 C98	T77-M83 CarbonylContact C-O 3.5Å; T77-M83 WeakPolarHBondContact CA-O 3.48Å; C78-M83 HydrophobicContact CB-CB 4.26Å; C78-M83 PolarHBondContact N-O 3.17Å; C81-M83 PolarHBondContact O-N 2.72Å; C81-M83 VanDerWaalsContact SG-CB 3.55Å; M83-C98 HydrophobicContact CG-CB 4.49Å; M83-C98 HydrophobicContact SD-CB 3.63Å; M83-C98 VanDerWaalsContact SD-SG 3.61Å
84	V	80.9	Confident	76.9	Confident	84 Å²	84	73.1 Å²	73.1	51%	0.509	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	142.6	174	-173.6	0	0	0	0	109.1	M75 A76 T77 G82	M75-V84 HydrophobicContact CB-CG1 4.4Å; M75-V84 HydrophobicContact SD-CG1 4.29Å; A76-V84 VanDerWaalsContact O-CA 3.32Å; A76-V84 WeakPolarHBondContact O-CA 3.39Å; T77-V84 HydrophobicContact CG2-CG2 4.03Å; G82-V84 PolarHBondContact O-N 2.86Å
85	G	80.4	Confident	77.7	Confident	20 Å²	20	74.4 Å²	74.4	21%	0.206	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.2	-175.1	174.1	0	0	0	0	0	112.7	M75 A76 R87	M75-G85 CarbonylContact C-O 3.1Å; M75-G85 WeakPolarHBondContact CA-O 3.25Å; A76-G85 PolarHBondContact N-O 2.86Å; A76-G85 PolarHBondContact O-N 3.38Å; G85-R87 PolarHBondContact O-N 2.78Å
86	V	80.5	Confident	78	Confident	50 Å²	50	71.6 Å²	71.6	30%	0.303	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	125.3	178	-176.1	0	0	0	0	109.7	Y68 A73 D88 A89 F90	Y68-V86 HydrophobicContact CE1-CG2 4.23Å; A73-V86 HydrophobicContact CB-CG1 3.66Å; V86-D88 PolarHBondContact O-N 3.38Å; V86-D88 VanDerWaalsContact O-N 3.14Å; V86-A89 WeakPolarHBondContact O-CB 3.34Å; V86-A89 PolarHBondContact O-N 3.44Å; V86-F90 WeakPolarHBondContact O-CD2 3.4Å
87	R	78	Confident	78.4	Confident	125 Å²	125	71.4 Å²	71.4	47%	0.472	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-57.4	-33.8	-173.5	-177.7	-179.7	73.5	-179.9	1.9	112.4	G74 A76 G85 A89 F90 K95	G74-R87 WeakPolarHBondContact O-CB 3.49Å; G74-R87 PolarHBondContact O-N 3.17Å; A76-R87 HydrophobicContact CB-CB 3.84Å; A76-R87 HydrophobicContact CB-CG 3.92Å; G85-R87 PolarHBondContact O-N 2.78Å; R87-A89 VanDerWaalsContact C-N 3.32Å; R87-A89 PolarHBondContact O-N 3.45Å; R87-F90 WeakPolarHBondContact O-CB 3.41Å; R87-F90 PolarHBondContact O-N 3.19Å; R87-F90 VanDerWaalsContact O-N 3.11Å; R87-K95 HydrophobicContact CG-CB 3.61Å; R87-K95 HydrophobicContact CG-CG 4.05Å; R87-K95 VanDerWaalsContact O-CD 3.24Å; R87-K95 WeakPolarHBondContact O-CD 3.15Å; R87-K95 WeakPolarHBondContact O-CG 3.42Å
88	D	76.1	Confident	78.5	Confident	84 Å²	84	69 Å²	69	45%	0.449	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-79.5	-17.8	-175.8	-55.9	-54.5	0	0	0	112.8	V86 F90 K95	V86-D88 PolarHBondContact O-N 3.38Å; V86-D88 VanDerWaalsContact O-N 3.14Å; D88-F90 VanDerWaalsContact C-N 3.27Å; D88-F90 PolarHBondContact O-N 3.21Å; D88-K95 PolarHBondContact O-NZ 2.62Å
89	A	75.9	Confident	78.6	Confident	79 Å²	79	70.9 Å²	70.9	65%	0.653	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-76.4	-9.4	165.9	0	0	0	0	0	113.5	V86 R87	V86-A89 WeakPolarHBondContact O-CB 3.34Å; V86-A89 PolarHBondContact O-N 3.44Å; R87-A89 VanDerWaalsContact C-N 3.32Å; R87-A89 PolarHBondContact O-N 3.45Å
90	F	83.4	Confident	78.4	Confident	11 Å²	11	69.4 Å²	69.4	5%	0.048	38%	0.377	C	S	.	.	S	Bend	trans	-75.7	149.5	-179.5	-84	-141.3	0	0	0	112.8	A76 C78 V86 R87 D88 K95 F97 C98	A76-F90 HydrophobicContact CB-CD1 3.87Å; A76-F90 HydrophobicContact CB-CE1 3.77Å; A76-F90 HydrophobicContact CB-CE2 4.43Å; A76-F90 HydrophobicContact CB-CG 4.25Å; A76-F90 HydrophobicContact CB-CZ 4.08Å; A76-F90 WeakPolarHBondContact O-CZ 3.29Å; C78-F90 HydrophobicContact CB-CE1 3.99Å; C78-F90 HydrophobicContact CB-CZ 4.4Å; V86-F90 WeakPolarHBondContact O-CD2 3.4Å; R87-F90 WeakPolarHBondContact O-CB 3.41Å; R87-F90 PolarHBondContact O-N 3.19Å; R87-F90 VanDerWaalsContact O-N 3.11Å; D88-F90 VanDerWaalsContact C-N 3.27Å; D88-F90 PolarHBondContact O-N 3.21Å; F90-K95 HydrophobicContact CB-CB 4.08Å; F90-K95 HydrophobicContact CB-CD 4.14Å; F90-K95 VanDerWaalsContact CD1-O 3.29Å; F90-K95 WeakPolarHBondContact CD1-O 3.23Å; F90-K95 WeakPolarHBondContact O-CD 3.34Å; F90-K95 PolarHBondContact O-NZ 3.18Å; F90-F97 WeakPolarHBondContact CB-O 3.42Å; F90-C98 HydrophobicContact CE1-CB 4.48Å; F90-C98 HydrophobicContact CE2-CB 4.37Å; F90-C98 HydrophobicContact CZ-CB 4.31Å
91	Y	72.2	Confident	78.3	Confident	106 Å²	106	70.3 Å²	70.3	42%	0.416	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-76.7	161.1	174.6	-172.1	-100.1	0	0	0	112.3	F97 V100	Y91-F97 WeakPolarHBondContact CA-O 3.39Å; Y91-F97 WeakPolarHBondContact CB-O 3.44Å; Y91-F97 PolarHBondContact N-O 3.14Å; Y91-V100 HydrophobicContact CD2-CG2 4.01Å; Y91-V100 HydrophobicContact CE1-CB 4.27Å; Y91-V100 HydrophobicContact CE1-CG1 4.42Å; Y91-V100 HydrophobicContact CE1-CG2 4.25Å; Y91-V100 HydrophobicContact CE2-CB 4.45Å; Y91-V100 HydrophobicContact CE2-CG2 3.57Å
92	S	69.7	Low	78.5	Confident	34 Å²	34	68.8 Å²	68.8	24%	0.238	38%	0.379	C	S	.	.	S	Bend	trans	69.8	152.5	-174.3	81.2	0	0	0	0	115.6	T94 K95	S92-T94 PolarHBondContact O-N 2.9Å; S92-K95 PolarHBondContact O-N 3.12Å; S92-K95 PolarHBondContact OG-N 3.4Å
93	K	71.8	Confident	79.1	Confident	219 Å²	219	67.8 Å²	67.8	95%	0.952	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.4	178.3	-68.3	-170.7	176.7	-173.8	0	114.3
94	T	78	Confident	79.6	Confident	94 Å²	94	72.3 Å²	72.3	58%	0.577	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	0.5	178.2	53.4	0	0	0	0	113.7	S92 R96	S92-T94 PolarHBondContact O-N 2.9Å; T94-R96 PolarHBondContact O-N 2.85Å
95	K	85.8	Confident	79.2	Confident	64 Å²	64	70.9 Å²	70.9	28%	0.278	37%	0.372	S	S	.	.			trans	54.7	32.6	177.2	-56	-59.9	-165.8	167.3	0	114.7	R87 D88 F90 S92	R87-K95 HydrophobicContact CG-CB 3.61Å; R87-K95 HydrophobicContact CG-CG 4.05Å; R87-K95 VanDerWaalsContact O-CD 3.24Å; R87-K95 WeakPolarHBondContact O-CD 3.15Å; R87-K95 WeakPolarHBondContact O-CG 3.42Å; D88-K95 PolarHBondContact O-NZ 2.62Å; F90-K95 HydrophobicContact CB-CB 4.08Å; F90-K95 HydrophobicContact CB-CD 4.14Å; F90-K95 VanDerWaalsContact CD1-O 3.29Å; F90-K95 WeakPolarHBondContact CD1-O 3.23Å; F90-K95 WeakPolarHBondContact O-CD 3.34Å; F90-K95 PolarHBondContact O-NZ 3.18Å; S92-K95 PolarHBondContact O-N 3.12Å; S92-K95 PolarHBondContact OG-N 3.4Å
96	R	85.8	Confident	79	Confident	96 Å²	96	72.4 Å²	72.4	36%	0.362	37%	0.371	S	S	.	.			trans	-92.5	-7.7	-177.4	-69.1	171.3	68.6	-154.2	-3.4	115	E79 T94 Y106	E79-R96 PolarHBondContact N-O 3.43Å; E79-R96 VanDerWaalsContact N-O 3.09Å; E79-R96 IonicContact OE1-CZ 3.91Å; E79-R96 IonicContact OE1-NE 3.4Å; E79-R96 PolarHBondContact OE1-NE 3.36Å; E79-R96 IonicContact OE1-NH2 3.67Å; E79-R96 PolarHBondContact OE1-NH2 2.8Å; E79-R96 IonicContact OE2-CZ 3.97Å; E79-R96 IonicContact OE2-NH2 2.75Å; E79-R96 PolarHBondContact OE2-NH2 3.09Å; T94-R96 PolarHBondContact O-N 2.85Å; R96-Y106 PolarHBondContact NH2-OH 2.76Å; R96-Y106 VanDerWaalsContact NH2-OH 3.08Å
97	F	88.4	Confident	78.7	Confident	11 Å²	11	73 Å²	73	5%	0.048	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-137.8	139.5	-174.1	-54	-68.1	0	0	0	110.5	E79 M80 F90 Y91 S99 C102 Y106	E79-F97 HydrophobicContact CB-CD1 4.47Å; E79-F97 HydrophobicContact CB-CE1 3.95Å; M80-F97 HydrophobicContact CG-CE1 4.42Å; F90-F97 WeakPolarHBondContact CB-O 3.42Å; Y91-F97 WeakPolarHBondContact CA-O 3.39Å; Y91-F97 WeakPolarHBondContact CB-O 3.44Å; Y91-F97 PolarHBondContact N-O 3.14Å; F97-S99 VanDerWaalsContact C-N 3.32Å; F97-S99 PolarHBondContact O-N 3.4Å; F97-C102 HydrophobicContact CB-CB 4.01Å; F97-C102 HydrophobicContact CD1-CB 4.36Å; F97-Y106 HydrophobicContact CE1-CD1 4.33Å; F97-Y106 AromaticContact CE1-CD2 3.58Å; F97-Y106 HydrophobicContact CE1-CD2 3.58Å; F97-Y106 HydrophobicContact CE1-CE2 4.22Å; F97-Y106 AromaticContact CE1-CG 3.6Å; F97-Y106 HydrophobicContact CE1-CG 3.6Å; F97-Y106 AromaticContact CZ-CD1 3.91Å; F97-Y106 HydrophobicContact CZ-CD1 3.91Å; F97-Y106 AromaticContact CZ-CD2 3.99Å; F97-Y106 HydrophobicContact CZ-CD2 3.99Å; F97-Y106 HydrophobicContact CZ-CE1 4.41Å; F97-Y106 HydrophobicContact CZ-CE2 4.45Å; F97-Y106 AromaticContact CZ-CG 3.64Å; F97-Y106 HydrophobicContact CZ-CG 3.64Å
98	C	83.3	Confident	78.2	Confident	31 Å²	31	70.4 Å²	70.4	21%	0.209	38%	0.378	C	S	.	.	S	Bend	trans	-75	-17.9	177.5	60.8	0	0	0	0	113.8	C78 M83 F90 C102	C78-C98 HydrophobicContact CB-CB 4.16Å; C78-C98 PolarHBondContact SG-N 2.72Å; C78-C98 VanDerWaalsContact SG-N 3.37Å; C78-C98 VanDerWaalsContact SG-SG 3.63Å; M83-C98 HydrophobicContact CG-CB 4.49Å; M83-C98 HydrophobicContact SD-CB 3.63Å; M83-C98 VanDerWaalsContact SD-SG 3.61Å; F90-C98 HydrophobicContact CE1-CB 4.48Å; F90-C98 HydrophobicContact CE2-CB 4.37Å; F90-C98 HydrophobicContact CZ-CB 4.31Å; C98-C102 VanDerWaalsContact SG-SG 3.67Å
99	S	85.2	Confident	77.6	Confident	40 Å²	40	68.8 Å²	68.8	28%	0.28	37%	0.37	S	S	.	.	S	Bend	trans	-150.4	165.1	-177.4	71.6	0	0	0	0	114.4	F97 S101 C102 S103	F97-S99 VanDerWaalsContact C-N 3.32Å; F97-S99 PolarHBondContact O-N 3.4Å; S99-S101 VanDerWaalsContact C-N 3.25Å; S99-S101 PolarHBondContact O-N 2.75Å; S99-C102 PolarHBondContact O-N 2.81Å; S99-C102 PolarHBondContact OG-N 3.36Å; S99-C102 PolarHBondContact OG-SG 2.84Å; S99-C102 VanDerWaalsContact OG-SG 3.42Å; S99-S103 PolarHBondContact O-N 3.35Å; S99-S103 VanDerWaalsContact O-N 3.09Å
100	V	78.4	Confident	77	Confident	60 Å²	60	67.3 Å²	67.3	36%	0.364	36%	0.355	S	S	.	.	H	α-helix	trans	-50.8	-48.7	170.6	-171.2	0	0	0	0	110.5	Y91 C102 S103 R104	Y91-V100 HydrophobicContact CD2-CG2 4.01Å; Y91-V100 HydrophobicContact CE1-CB 4.27Å; Y91-V100 HydrophobicContact CE1-CG1 4.42Å; Y91-V100 HydrophobicContact CE1-CG2 4.25Å; Y91-V100 HydrophobicContact CE2-CB 4.45Å; Y91-V100 HydrophobicContact CE2-CG2 3.57Å; V100-C102 PolarHBondContact O-N 2.68Å; V100-S103 PolarHBondContact O-N 3.31Å; V100-R104 HydrophobicContact CG1-CG 4.48Å; V100-R104 PolarHBondContact O-N 2.96Å
101	S	76.3	Confident	76	Confident	81 Å²	81	73.9 Å²	73.9	57%	0.566	38%	0.384	S	S	*	.	H	α-helix	trans	-62.1	-43	-177.8	-45.3	0	0	0	0	111.5	S99 S103 R104 S105	S99-S101 VanDerWaalsContact C-N 3.25Å; S99-S101 PolarHBondContact O-N 2.75Å; S101-S103 PolarHBondContact O-N 3.13Å; S101-R104 PolarHBondContact O-N 3.33Å; S101-S105 VanDerWaalsContact O-CB 3.31Å; S101-S105 WeakPolarHBondContact O-CB 3.48Å; S101-S105 PolarHBondContact O-N 3.01Å; S101-S105 PolarHBondContact O-OG 3.29Å; S101-S105 VanDerWaalsContact O-OG 3.06Å
102	C	78.2	Confident	75.4	Confident	17 Å²	17	75.6 Å²	75.6	12%	0.115	39%	0.393	C	S	.	.	H	α-helix	trans	-61.7	-44	174.4	-70.9	0	0	0	0	112.1	M80 F97 C98 S99 V100 R104 S105 Y106	M80-C102 HydrophobicContact CB-CB 4.17Å; M80-C102 VanDerWaalsContact CG-O 3.31Å; M80-C102 WeakPolarHBondContact CG-O 3.26Å; F97-C102 HydrophobicContact CB-CB 4.01Å; F97-C102 HydrophobicContact CD1-CB 4.36Å; C98-C102 VanDerWaalsContact SG-SG 3.67Å; S99-C102 PolarHBondContact O-N 2.81Å; S99-C102 PolarHBondContact OG-N 3.36Å; S99-C102 PolarHBondContact OG-SG 2.84Å; S99-C102 VanDerWaalsContact OG-SG 3.42Å; V100-C102 PolarHBondContact O-N 2.68Å; C102-R104 PolarHBondContact O-N 3.36Å; C102-S105 PolarHBondContact O-N 2.63Å; C102-Y106 PolarHBondContact O-N 2.74Å
103	S	84.6	Confident	74.7	Confident	25 Å²	25	75.1 Å²	75.1	18%	0.175	39%	0.391	C	S	.	.	H	α-helix	trans	-64.3	-40.1	178.5	-174.5	0	0	0	0	112.8	S99 V100 S101 S107	S99-S103 PolarHBondContact O-N 3.35Å; S99-S103 VanDerWaalsContact O-N 3.09Å; V100-S103 PolarHBondContact O-N 3.31Å; S101-S103 PolarHBondContact O-N 3.13Å; S103-S107 PolarHBondContact O-N 2.94Å; S103-S107 PolarHBondContact O-OG 2.85Å
104	R	78.9	Confident	73.9	Confident	187 Å²	187	66.9 Å²	66.9	71%	0.706	36%	0.361	S	S	*	.	H	α-helix	trans	-67.9	-43.6	175.8	-72.1	-176.8	175.1	-163.8	-1.4	111.3	V100 S101 C102 Y106 S107 S108	V100-R104 HydrophobicContact CG1-CG 4.48Å; V100-R104 PolarHBondContact O-N 2.96Å; S101-R104 PolarHBondContact O-N 3.33Å; C102-R104 PolarHBondContact O-N 3.36Å; R104-Y106 PolarHBondContact O-N 3.29Å; R104-S107 WeakPolarHBondContact O-CB 3.39Å; R104-S107 PolarHBondContact O-N 3.02Å; R104-S107 VanDerWaalsContact O-N 3.11Å; R104-S108 PolarHBondContact O-N 2.93Å; R104-S108 PolarHBondContact O-OG 3.24Å
105	S	71.7	Confident	73.1	Confident	55 Å²	55	67.2 Å²	67.2	39%	0.385	36%	0.358	S	S	.	.	H	α-helix	trans	-68.2	-32.3	179.9	-65.4	0	0	0	0	114	S101 C102 S107 S108 N109	S101-S105 VanDerWaalsContact O-CB 3.31Å; S101-S105 WeakPolarHBondContact O-CB 3.48Å; S101-S105 PolarHBondContact O-N 3.01Å; S101-S105 PolarHBondContact O-OG 3.29Å; S101-S105 VanDerWaalsContact O-OG 3.06Å; C102-S105 PolarHBondContact O-N 2.63Å; S105-S107 VanDerWaalsContact C-N 3.3Å; S105-S107 PolarHBondContact O-N 2.91Å; S105-S108 WeakPolarHBondContact CA-OG 3.11Å; S105-S108 PolarHBondContact O-OG 3.24Å; S105-N109 VanDerWaalsContact O-CB 3.24Å; S105-N109 WeakPolarHBondContact O-CB 3.24Å; S105-N109 PolarHBondContact O-N 3.14Å
106	Y	77.7	Confident	71.7	Confident	52 Å²	52	68.4 Å²	68.4	20%	0.204	37%	0.367	C	S	.	.	H	α-helix	trans	-61.9	-42.5	169.2	-165.5	-89.5	0	0	0	111.2	E79 M80 R96 F97 C102 R104 S110 V130	E79-Y106 HydrophobicContact CB-CD2 4.18Å; E79-Y106 HydrophobicContact CB-CE2 3.77Å; E79-Y106 WeakPolarHBondContact OE2-CE2 3.48Å; E79-Y106 PolarHBondContact OE2-OH 3.4Å; M80-Y106 HydrophobicContact CG-CD2 3.84Å; M80-Y106 HydrophobicContact CG-CG 4.22Å; M80-Y106 WeakPolarHBondContact SD-CA 3.49Å; M80-Y106 HydrophobicContact SD-CD2 3.68Å; M80-Y106 HydrophobicContact SD-CG 4.14Å; R96-Y106 PolarHBondContact NH2-OH 2.76Å; R96-Y106 VanDerWaalsContact NH2-OH 3.08Å; F97-Y106 HydrophobicContact CE1-CD1 4.33Å; F97-Y106 AromaticContact CE1-CD2 3.58Å; F97-Y106 HydrophobicContact CE1-CD2 3.58Å; F97-Y106 HydrophobicContact CE1-CE2 4.22Å; F97-Y106 AromaticContact CE1-CG 3.6Å; F97-Y106 HydrophobicContact CE1-CG 3.6Å; F97-Y106 AromaticContact CZ-CD1 3.91Å; F97-Y106 HydrophobicContact CZ-CD1 3.91Å; F97-Y106 AromaticContact CZ-CD2 3.99Å; F97-Y106 HydrophobicContact CZ-CD2 3.99Å; F97-Y106 HydrophobicContact CZ-CE1 4.41Å; F97-Y106 HydrophobicContact CZ-CE2 4.45Å; F97-Y106 AromaticContact CZ-CG 3.64Å; F97-Y106 HydrophobicContact CZ-CG 3.64Å; C102-Y106 PolarHBondContact O-N 2.74Å; R104-Y106 PolarHBondContact O-N 3.29Å; Y106-S110 WeakPolarHBondContact O-CB 3.25Å; Y106-S110 PolarHBondContact O-N 3.43Å; Y106-V130 HydrophobicContact CE2-CG2 4.49Å
107	S	73.5	Confident	70.4	Confident	63 Å²	63	65.7 Å²	65.7	44%	0.441	37%	0.365	S	S	.	.	H	α-helix	trans	-69.4	-36	-176.5	-55.4	0	0	0	0	112.5	S103 R104 S105 K111	S103-S107 PolarHBondContact O-N 2.94Å; S103-S107 PolarHBondContact O-OG 2.85Å; R104-S107 WeakPolarHBondContact O-CB 3.39Å; R104-S107 PolarHBondContact O-N 3.02Å; R104-S107 VanDerWaalsContact O-N 3.11Å; S105-S107 VanDerWaalsContact C-N 3.3Å; S105-S107 PolarHBondContact O-N 2.91Å; S107-K111 WeakPolarHBondContact O-CG 3.37Å; S107-K111 PolarHBondContact O-N 3.42Å
108	S	67.3	Low	68.9	Low	69 Å²	69	74 Å²	74	48%	0.483	40%	0.397	S	S	.	.	H	α-helix	trans	-75.7	-43	174.2	59.5	0	0	0	0	112.5	R104 S105 S110 K111 K112	R104-S108 PolarHBondContact O-N 2.93Å; R104-S108 PolarHBondContact O-OG 3.24Å; S105-S108 WeakPolarHBondContact CA-OG 3.11Å; S105-S108 PolarHBondContact O-OG 3.24Å; S108-S110 VanDerWaalsContact C-N 3.35Å; S108-S110 PolarHBondContact O-N 2.86Å; S108-K111 WeakPolarHBondContact O-CB 3.16Å; S108-K111 PolarHBondContact O-N 3.31Å; S108-K112 PolarHBondContact O-N 3.14Å
109	N	63.1	Low	67.7	Low	50 Å²	50	79.2 Å²	79.2	27%	0.267	42%	0.422	S	S	.	.	H	α-helix	trans	-65.8	-37.8	179.9	-160.6	13.6	0	0	0	111.8	S105 K111 K112 A113 V130	S105-N109 VanDerWaalsContact O-CB 3.24Å; S105-N109 WeakPolarHBondContact O-CB 3.24Å; S105-N109 PolarHBondContact O-N 3.14Å; N109-K111 PolarHBondContact O-N 2.98Å; N109-K112 PolarHBondContact O-N 3.49Å; N109-A113 WeakPolarHBondContact O-CB 3.3Å; N109-A113 PolarHBondContact O-N 3.26Å; N109-V130 WeakPolarHBondContact ND2-CG1 3.49Å
110	S	63.9	Low	66.7	Low	49 Å²	49	83 Å²	83	34%	0.343	44%	0.435	S	S	.	.	H	α-helix	trans	-59.5	-42.6	171.8	-177.6	0	0	0	0	112.7	Y106 S108 S114	Y106-S110 WeakPolarHBondContact O-CB 3.25Å; Y106-S110 PolarHBondContact O-N 3.43Å; S108-S110 VanDerWaalsContact C-N 3.35Å; S108-S110 PolarHBondContact O-N 2.86Å; S110-S114 WeakPolarHBondContact O-CB 3.48Å; S110-S114 PolarHBondContact O-N 3.05Å
111	K	62.2	Low	65.4	Low	149 Å²	149	83.4 Å²	83.4	65%	0.648	45%	0.451	S	S	*	.	H	α-helix	trans	-62.3	-47.1	173.1	-73.2	176.3	178.6	-175	0	111.7	S107 S108 N109 A113 S114 I115	S107-K111 WeakPolarHBondContact O-CG 3.37Å; S107-K111 PolarHBondContact O-N 3.42Å; S108-K111 WeakPolarHBondContact O-CB 3.16Å; S108-K111 PolarHBondContact O-N 3.31Å; N109-K111 PolarHBondContact O-N 2.98Å; K111-A113 PolarHBondContact O-N 2.8Å; K111-S114 PolarHBondContact O-N 2.95Å; K111-I115 WeakPolarHBondContact O-CG1 3.4Å; K111-I115 PolarHBondContact O-N 3.18Å
112	K	59.4	Low	64.1	Low	142 Å²	142	85.3 Å²	85.3	62%	0.617	45%	0.449	S	S	*	.	H	α-helix	trans	-61.1	-43	179.3	-164.7	170.6	-176	175.1	0	111.8	S108 N109 I115 L116	S108-K112 PolarHBondContact O-N 3.14Å; N109-K112 PolarHBondContact O-N 3.49Å; K112-I115 PolarHBondContact O-N 2.88Å; K112-L116 HydrophobicContact CG-CD1 4.43Å; K112-L116 WeakPolarHBondContact O-CG 3.32Å; K112-L116 PolarHBondContact O-N 2.92Å
113	A	55.3	Low	62.7	Low	24 Å²	24	89.8 Å²	89.8	20%	0.198	48%	0.478	C	S	.	.	H	α-helix	trans	-64.1	-38.7	174.5	0	0	0	0	0	113	N109 K111 A117	N109-A113 WeakPolarHBondContact O-CB 3.3Å; N109-A113 PolarHBondContact O-N 3.26Å; K111-A113 PolarHBondContact O-N 2.8Å; A113-A117 WeakPolarHBondContact O-CB 3.22Å; A113-A117 PolarHBondContact O-N 3.26Å
114	S	54.7	Low	60.7	Low	46 Å²	46	94.5 Å²	94.5	32%	0.322	51%	0.508	S	S	.	.	H	α-helix	trans	-67.3	-37.7	176.9	-169.5	0	0	0	0	112.7	S110 K111 A117 R118	S110-S114 WeakPolarHBondContact O-CB 3.48Å; S110-S114 PolarHBondContact O-N 3.05Å; K111-S114 PolarHBondContact O-N 2.95Å; S114-A117 PolarHBondContact O-N 3.4Å; S114-R118 WeakPolarHBondContact O-CG 3.39Å; S114-R118 PolarHBondContact O-N 3.45Å
115	I	61	Low	59.6	Low	100 Å²	100	90.9 Å²	90.9	51%	0.513	51%	0.507	S	S	.	.	H	α-helix	trans	-65.6	-48.5	175.2	-67.1	163.4	0	0	0	110.4	K111 K112 A117 R118 L119	K111-I115 WeakPolarHBondContact O-CG1 3.4Å; K111-I115 PolarHBondContact O-N 3.18Å; K112-I115 PolarHBondContact O-N 2.88Å; I115-A117 VanDerWaalsContact C-N 3.29Å; I115-A117 PolarHBondContact O-N 3.17Å; I115-R118 PolarHBondContact O-N 2.74Å; I115-R118 VanDerWaalsContact O-N 3.12Å; I115-L119 HydrophobicContact CG2-CD1 4.01Å; I115-L119 WeakPolarHBondContact O-CG 3.36Å; I115-L119 PolarHBondContact O-N 2.96Å
116	L	57.7	Low	58.4	Low	89 Å²	89	98.8 Å²	98.8	47%	0.466	53%	0.534	S	S	.	.	H	α-helix	trans	-58.3	-38.6	176.2	-76.9	164.6	0	0	0	112.7	K112 R118 L119 Q120	K112-L116 HydrophobicContact CG-CD1 4.43Å; K112-L116 WeakPolarHBondContact O-CG 3.32Å; K112-L116 PolarHBondContact O-N 2.92Å; L116-R118 PolarHBondContact O-N 3.15Å; L116-L119 PolarHBondContact O-N 3.06Å; L116-Q120 WeakPolarHBondContact O-CG 3.46Å; L116-Q120 PolarHBondContact O-N 3.03Å; L116-Q120 VanDerWaalsContact O-N 3.12Å
117	A	56.9	Low	56.9	Low	39 Å²	39	105.3 Å²	105.3	32%	0.322	56%	0.564	S	S	.	*	H	α-helix	trans	-64.3	-36.8	176.5	0	0	0	0	0	113.1	A113 S114 I115 Q120 K122	A113-A117 WeakPolarHBondContact O-CB 3.22Å; A113-A117 PolarHBondContact O-N 3.26Å; S114-A117 PolarHBondContact O-N 3.4Å; I115-A117 VanDerWaalsContact C-N 3.29Å; I115-A117 PolarHBondContact O-N 3.17Å; A117-Q120 PolarHBondContact O-N 3.36Å; A117-K122 PolarHBondContact O-N 2.89Å; A117-K122 VanDerWaalsContact O-N 3.15Å
118	R	58.6	Low	55.2	Low	187 Å²	187	105 Å²	105	71%	0.706	57%	0.565	S	S	*	*	H	α-helix	trans	-69.7	-43.8	175.6	-67.7	178.8	-168.7	-166.6	2.1	112	S114 I115 L116 Q120 G121	S114-R118 WeakPolarHBondContact O-CG 3.39Å; S114-R118 PolarHBondContact O-N 3.45Å; I115-R118 PolarHBondContact O-N 2.74Å; I115-R118 VanDerWaalsContact O-N 3.12Å; L116-R118 PolarHBondContact O-N 3.15Å; R118-Q120 PolarHBondContact O-N 3.16Å; R118-G121 PolarHBondContact O-N 2.82Å
119	L	57.6	Low	54.1	Low	140 Å²	140	111.3 Å²	111.3	73%	0.733	58%	0.584	S	S	*	*	H	α-helix	trans	-62.4	-25.5	176.6	-67.1	170.9	0	0	0	112.4	I115 L116 G121	I115-L119 HydrophobicContact CG2-CD1 4.01Å; I115-L119 WeakPolarHBondContact O-CG 3.36Å; I115-L119 PolarHBondContact O-N 2.96Å; L116-L119 PolarHBondContact O-N 3.06Å; L119-G121 VanDerWaalsContact C-N 3.35Å
120	Q	64.7	Low	53.1	Low	119 Å²	119	110.8 Å²	110.8	56%	0.556	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	14.6	172.6	-66.2	-177.5	3.9	0	0	114.2	L116 A117 R118 K122	L116-Q120 WeakPolarHBondContact O-CG 3.46Å; L116-Q120 PolarHBondContact O-N 3.03Å; L116-Q120 VanDerWaalsContact O-N 3.12Å; A117-Q120 PolarHBondContact O-N 3.36Å; R118-Q120 PolarHBondContact O-N 3.16Å; Q120-K122 HydrophobicContact CB-CD 4.18Å; Q120-K122 PolarHBondContact O-N 2.93Å; Q120-K122 VanDerWaalsContact O-N 3.16Å
121	G	49.8	Very low	52.1	Low	69 Å²	69	115.7 Å²	115.7	71%	0.711	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.4	14.7	174.1	0	0	0	0	0	115.9	R118 L119	R118-G121 PolarHBondContact O-N 2.82Å; L119-G121 VanDerWaalsContact C-N 3.35Å
122	K	49.1	Very low	51	Low	121 Å²	121	117.2 Å²	117.2	53%	0.526	61%	0.613	S	S	.	*			trans	-90.6	132.7	-173.9	-71.2	158.2	-170.7	169.4	0	111.1	A117 Q120	A117-K122 PolarHBondContact O-N 2.89Å; A117-K122 VanDerWaalsContact O-N 3.15Å; Q120-K122 HydrophobicContact CB-CD 4.18Å; Q120-K122 PolarHBondContact O-N 2.93Å; Q120-K122 VanDerWaalsContact O-N 3.16Å
123	P	49.3	Very low	50.2	Low	110 Å²	110	120 Å²	120	71%	0.714	63%	0.625	S	S	*	*			trans	-65.8	145.9	-178	26.3	-34.2	0	0	0	112	T125	P123-T125 PolarHBondContact O-N 2.79Å
124	P	42.5	Very low	49.5	Very low	124 Å²	124	125.2 Å²	125.2	81%	0.805	65%	0.646	S	S	*	*			trans	-73.3	111.4	-171.1	28.6	-35	0	0	0	112.5
125	T	55.3	Low	49	Very low	111 Å²	111	125.8 Å²	125.8	68%	0.681	65%	0.648	S	S	*	*			trans	-90.9	142.5	171.2	59.4	0	0	0	0	111.1	P123 K127	P123-T125 PolarHBondContact O-N 2.79Å; T125-K127 PolarHBondContact O-N 2.96Å
126	K	46.9	Very low	48.1	Very low	221 Å²	221	127 Å²	127	96%	0.961	66%	0.655	S	S	*	*	S	Bend	trans	-68.8	5.9	-175.5	-71.6	-173.6	175.6	-179.7	0	115.4
127	K	45.3	Very low	47.5	Very low	190 Å²	190	129.7 Å²	129.7	83%	0.826	67%	0.667	S	S	*	*	S	Bend	trans	-144.2	83.1	175.2	-70.2	-171.5	178.5	-178.3	0	110.3	T125 K129	T125-K127 PolarHBondContact O-N 2.96Å; K127-K129 PolarHBondContact O-N 3.49Å
128	A	39.3	Very low	47.1	Very low	57 Å²	57	129.7 Å²	129.7	47%	0.471	67%	0.667	S	S	.	*	P	Polyproline II helix	trans	-63	123.6	169.5	0	0	0	0	0	109.7	V130	A128-V130 PolarHBondContact O-N 2.84Å
129	K	43.2	Very low	46.7	Very low	200 Å²	200	126.5 Å²	126.5	87%	0.87	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-72.3	118.5	166.9	-78.5	-171.1	174	-173.9	0	108.3	K127	K127-K129 PolarHBondContact O-N 3.49Å
130	V	41.8	Very low	46	Very low	39 Å²	39	124 Å²	124	24%	0.236	65%	0.645	C	S	.	*	P	Polyproline II helix	trans	-61.7	139.5	172.8	178	0	0	0	0	109.1	Y106 N109 A128 Q132	Y106-V130 HydrophobicContact CE2-CG2 4.49Å; N109-V130 WeakPolarHBondContact ND2-CG1 3.49Å; A128-V130 PolarHBondContact O-N 2.84Å; V130-Q132 PolarHBondContact O-N 2.8Å
131	L	42.7	Very low	45.3	Very low	153 Å²	153	120.6 Å²	120.6	80%	0.801	64%	0.637	S	S	*	*			trans	-68.3	102.5	170.3	-130.2	85.5	0	0	0	108.5	K133	L131-K133 PolarHBondContact O-N 3.33Å; L131-K133 VanDerWaalsContact O-N 3.1Å
132	Q	40.3	Very low	45.3	Very low	181 Å²	181	119.7 Å²	119.7	85%	0.846	62%	0.624	S	S	*	*			trans	-75.9	94.1	174.7	-71.2	-177.2	-58.5	0	0	109.6	V130 Q134	V130-Q132 PolarHBondContact O-N 2.8Å; Q132-Q134 PolarHBondContact O-N 3.06Å
133	K	42	Very low	45.3	Very low	200 Å²	200	118.7 Å²	118.7	87%	0.87	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-59.5	126.4	149.9	-96.3	-165.2	172.4	-170.5	0	106.3	L131	L131-K133 PolarHBondContact O-N 3.33Å; L131-K133 VanDerWaalsContact O-N 3.1Å
134	Q	40.8	Very low	45.4	Very low	134 Å²	134	115.9 Å²	115.9	63%	0.626	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-61.7	137.1	173.4	-70.5	-177.8	-7.7	0	0	109.2	Q132 A138	Q132-Q134 PolarHBondContact O-N 3.06Å; Q134-A138 HydrophobicContact CB-CB 4.46Å
135	P	44.6	Very low	45.7	Very low	58 Å²	58	116.9 Å²	116.9	38%	0.377	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-56.7	149.3	172.8	-25	34.4	0	0	0	111.5	M137 A138 K139	P135-M137 PolarHBondContact O-N 2.91Å; P135-A138 HydrophobicContact CB-CB 4.39Å; P135-A138 WeakPolarHBondContact O-CA 3.49Å; P135-A138 WeakPolarHBondContact O-CB 3.45Å; P135-A138 PolarHBondContact O-N 2.85Å; P135-K139 PolarHBondContact O-N 2.73Å; P135-K139 VanDerWaalsContact O-N 3.15Å
136	L	41.7	Very low	45.7	Very low	126 Å²	126	118 Å²	118	66%	0.66	59%	0.59	S	S	*	*	H	α-helix	trans	-54.5	-41.4	176.3	-176.3	62.8	0	0	0	111.4	A138 K139 L140	L136-A138 PolarHBondContact O-N 2.82Å; L136-K139 WeakPolarHBondContact O-CB 3.48Å; L136-K139 PolarHBondContact O-N 2.95Å; L136-K139 VanDerWaalsContact O-N 3.12Å; L136-L140 HydrophobicContact CG-CD1 4.1Å; L136-L140 WeakPolarHBondContact O-CG 3.45Å; L136-L140 PolarHBondContact O-N 2.91Å
137	M	46.1	Very low	45.7	Very low	144 Å²	144	111.5 Å²	111.5	71%	0.709	56%	0.563	S	S	*	*	H	α-helix	trans	-60.1	-28.1	173.7	-69.5	-68.6	150.2	0	0	114.1	P135 L140 A141	P135-M137 PolarHBondContact O-N 2.91Å; M137-L140 HydrophobicContact CE-CD1 4.06Å; M137-L140 HydrophobicContact SD-CD1 4.18Å; M137-A141 VanDerWaalsContact O-CB 3.24Å; M137-A141 WeakPolarHBondContact O-CB 3.35Å; M137-A141 PolarHBondContact O-N 2.65Å
138	A	47.8	Very low	45.6	Very low	39 Å²	39	104.6 Å²	104.6	32%	0.322	54%	0.542	S	S	.	.	H	α-helix	trans	-79.4	-34.9	174.8	0	0	0	0	0	112.1	Q134 P135 L136 A142	Q134-A138 HydrophobicContact CB-CB 4.46Å; P135-A138 HydrophobicContact CB-CB 4.39Å; P135-A138 WeakPolarHBondContact O-CA 3.49Å; P135-A138 WeakPolarHBondContact O-CB 3.45Å; P135-A138 PolarHBondContact O-N 2.85Å; L136-A138 PolarHBondContact O-N 2.82Å; A138-A142 WeakPolarHBondContact O-CB 3.27Å; A138-A142 PolarHBondContact O-N 2.86Å
139	K	49.1	Very low	46	Very low	120 Å²	120	104.3 Å²	104.3	52%	0.522	54%	0.536	S	S	.	.	H	α-helix	trans	-62.8	-47	167.8	-80.8	-165	169.3	-163.3	0	110.9	P135 L136 A141 A142 Y143	P135-K139 PolarHBondContact O-N 2.73Å; P135-K139 VanDerWaalsContact O-N 3.15Å; L136-K139 WeakPolarHBondContact O-CB 3.48Å; L136-K139 PolarHBondContact O-N 2.95Å; L136-K139 VanDerWaalsContact O-N 3.12Å; K139-A141 PolarHBondContact O-N 2.91Å; K139-A142 PolarHBondContact O-N 3.32Å; K139-Y143 WeakPolarHBondContact O-CB 3.44Å; K139-Y143 PolarHBondContact O-N 2.62Å
140	L	44	Very low	46.4	Very low	87 Å²	87	99.6 Å²	99.6	46%	0.455	52%	0.517	S	S	.	.	H	α-helix	trans	-61.1	-43.1	176.7	-70.3	167.6	0	0	0	111.8	L136 M137 Y143 A144	L136-L140 HydrophobicContact CG-CD1 4.1Å; L136-L140 WeakPolarHBondContact O-CG 3.45Å; L136-L140 PolarHBondContact O-N 2.91Å; M137-L140 HydrophobicContact CE-CD1 4.06Å; M137-L140 HydrophobicContact SD-CD1 4.18Å; L140-Y143 PolarHBondContact O-N 2.85Å; L140-A144 WeakPolarHBondContact O-CB 3.43Å; L140-A144 PolarHBondContact O-N 3.18Å
141	A	50.3	Low	46.6	Very low	48 Å²	48	105.4 Å²	105.4	40%	0.397	54%	0.542	S	S	.	.	H	α-helix	trans	-64.9	-39	175	0	0	0	0	0	113	M137 K139 Y143 A144 Q145	M137-A141 VanDerWaalsContact O-CB 3.24Å; M137-A141 WeakPolarHBondContact O-CB 3.35Å; M137-A141 PolarHBondContact O-N 2.65Å; K139-A141 PolarHBondContact O-N 2.91Å; A141-Y143 VanDerWaalsContact C-N 3.35Å; A141-A144 PolarHBondContact O-N 3.09Å; A141-Q145 WeakPolarHBondContact O-CB 3.3Å; A141-Q145 VanDerWaalsContact O-CG 3.31Å; A141-Q145 WeakPolarHBondContact O-CG 3.4Å; A141-Q145 PolarHBondContact O-N 3.46Å
142	A	49.2	Very low	46.5	Very low	51 Å²	51	104 Å²	104	42%	0.421	54%	0.535	S	S	.	.	H	α-helix	trans	-65.9	-37.5	173.9	0	0	0	0	0	112	A138 K139 Q145 Y146	A138-A142 WeakPolarHBondContact O-CB 3.27Å; A138-A142 PolarHBondContact O-N 2.86Å; K139-A142 PolarHBondContact O-N 3.32Å; A142-Q145 PolarHBondContact O-N 2.76Å; A142-Y146 PolarHBondContact O-N 2.98Å
143	Y	49.6	Very low	46.5	Very low	99 Å²	99	101 Å²	101	39%	0.388	52%	0.521	S	S	.	.	H	α-helix	trans	-70.8	-37.7	175.7	-166.4	-120.4	0	0	0	112.2	K139 L140 A141 Y146 Q147	K139-Y143 WeakPolarHBondContact O-CB 3.44Å; K139-Y143 PolarHBondContact O-N 2.62Å; L140-Y143 PolarHBondContact O-N 2.85Å; A141-Y143 VanDerWaalsContact C-N 3.35Å; Y143-Y146 HydrophobicContact CD2-CD1 4.29Å; Y143-Y146 HydrophobicContact CE2-CD1 4.26Å; Y143-Y146 WeakPolarHBondContact O-CB 3.25Å; Y143-Y146 PolarHBondContact O-N 3.31Å; Y143-Q147 VanDerWaalsContact CD1-NE2 3.35Å; Y143-Q147 WeakPolarHBondContact O-CG 3.5Å; Y143-Q147 PolarHBondContact O-N 3Å
144	A	50.4	Low	46.5	Very low	52 Å²	52	95.8 Å²	95.8	43%	0.43	52%	0.515	S	S	.	.	H	α-helix	trans	-64.5	-38.5	171.1	0	0	0	0	0	112.1	L140 A141 Y146 Q147 A148	L140-A144 WeakPolarHBondContact O-CB 3.43Å; L140-A144 PolarHBondContact O-N 3.18Å; A141-A144 PolarHBondContact O-N 3.09Å; A144-Y146 VanDerWaalsContact C-N 3.34Å; A144-Q147 PolarHBondContact O-N 3.19Å; A144-A148 WeakPolarHBondContact O-CB 3.47Å; A144-A148 PolarHBondContact O-N 3.14Å
145	Q	49.7	Very low	46.5	Very low	145 Å²	145	98 Å²	98	68%	0.678	52%	0.523	S	S	*	.	H	α-helix	trans	-65.3	-36.4	171.5	-74.4	175.1	-0.9	0	0	112.2	A141 A142 S149	A141-Q145 WeakPolarHBondContact O-CB 3.3Å; A141-Q145 VanDerWaalsContact O-CG 3.31Å; A141-Q145 WeakPolarHBondContact O-CG 3.4Å; A141-Q145 PolarHBondContact O-N 3.46Å; A142-Q145 PolarHBondContact O-N 2.76Å; Q145-S149 PolarHBondContact O-N 2.84Å
146	Y	54.4	Low	46.5	Very low	133 Å²	133	100.6 Å²	100.6	52%	0.522	54%	0.543	S	S	.	.	H	α-helix	trans	-64.4	-47	172.2	-179.5	-110.4	0	0	0	111.7	A142 Y143 A144 A148 S149 Q150	A142-Y146 PolarHBondContact O-N 2.98Å; Y143-Y146 HydrophobicContact CD2-CD1 4.29Å; Y143-Y146 HydrophobicContact CE2-CD1 4.26Å; Y143-Y146 WeakPolarHBondContact O-CB 3.25Å; Y143-Y146 PolarHBondContact O-N 3.31Å; A144-Y146 VanDerWaalsContact C-N 3.34Å; Y146-A148 PolarHBondContact O-N 2.99Å; Y146-S149 WeakPolarHBondContact O-CB 3.3Å; Y146-S149 PolarHBondContact O-N 3.09Å; Y146-S149 PolarHBondContact O-OG 3.05Å; Y146-Q150 PolarHBondContact O-N 3.44Å
147	Q	46.8	Very low	46.2	Very low	85 Å²	85	103.4 Å²	103.4	40%	0.397	55%	0.549	S	S	.	.	H	α-helix	trans	-59.3	-43.6	174.6	-70.1	175	11.5	0	0	112.3	Y143 A144 S149 Q150 Q151	Y143-Q147 VanDerWaalsContact CD1-NE2 3.35Å; Y143-Q147 WeakPolarHBondContact O-CG 3.5Å; Y143-Q147 PolarHBondContact O-N 3Å; A144-Q147 PolarHBondContact O-N 3.19Å; Q147-S149 VanDerWaalsContact C-N 3.26Å; Q147-S149 PolarHBondContact O-N 2.98Å; Q147-Q150 PolarHBondContact O-N 3.29Å; Q147-Q150 VanDerWaalsContact O-N 3.16Å; Q147-Q151 PolarHBondContact O-N 3.43Å; Q147-Q151 VanDerWaalsContact O-N 3.1Å
148	A	43.4	Very low	46	Very low	46 Å²	46	102.6 Å²	102.6	38%	0.38	56%	0.558	S	S	.	*	H	α-helix	trans	-63	-31.2	174.4	0	0	0	0	0	112.7	A144 Y146 N152	A144-A148 WeakPolarHBondContact O-CB 3.47Å; A144-A148 PolarHBondContact O-N 3.14Å; Y146-A148 PolarHBondContact O-N 2.99Å; A148-N152 PolarHBondContact O-N 2.88Å; A148-N152 PolarHBondContact O-ND2 3.25Å
149	S	48.3	Very low	45.4	Very low	51 Å²	51	105.3 Å²	105.3	36%	0.357	57%	0.57	S	S	.	*	H	α-helix	trans	-71.1	-34.6	174	81.5	0	0	0	0	112.7	Q145 Y146 Q147 Q153	Q145-S149 PolarHBondContact O-N 2.84Å; Y146-S149 WeakPolarHBondContact O-CB 3.3Å; Y146-S149 PolarHBondContact O-N 3.09Å; Y146-S149 PolarHBondContact O-OG 3.05Å; Q147-S149 VanDerWaalsContact C-N 3.26Å; Q147-S149 PolarHBondContact O-N 2.98Å; S149-Q153 PolarHBondContact O-N 3.29Å
150	Q	51.6	Low	44.7	Very low	101 Å²	101	105.6 Å²	105.6	47%	0.472	58%	0.582	S	S	.	*	H	α-helix	trans	-68.7	-45	176.4	-69.4	-71.7	82.9	0	0	111.8	Y146 Q147 N152 Q153	Y146-Q150 PolarHBondContact O-N 3.44Å; Q147-Q150 PolarHBondContact O-N 3.29Å; Q147-Q150 VanDerWaalsContact O-N 3.16Å; Q150-N152 VanDerWaalsContact C-N 3.3Å; Q150-N152 PolarHBondContact O-N 2.78Å; Q150-Q153 PolarHBondContact O-N 3.29Å
151	Q	46.4	Very low	44.2	Very low	160 Å²	160	106.4 Å²	106.4	75%	0.748	59%	0.592	S	S	*	*	H	α-helix	trans	-63	-33.3	177.7	-76	-173.9	-20.3	0	0	113.1	Q147	Q147-Q151 PolarHBondContact O-N 3.43Å; Q147-Q151 VanDerWaalsContact O-N 3.1Å
152	N	39.8	Very low	44	Very low	125 Å²	125	109.7 Å²	109.7	67%	0.668	61%	0.61	S	S	*	*	H	α-helix	trans	-77.2	-21.2	179.5	-80.9	-77.3	0	0	0	114.1	A148 Q150 A154	A148-N152 PolarHBondContact O-N 2.88Å; A148-N152 PolarHBondContact O-ND2 3.25Å; Q150-N152 VanDerWaalsContact C-N 3.3Å; Q150-N152 PolarHBondContact O-N 2.78Å; N152-A154 PolarHBondContact O-N 3.26Å
153	Q	41.5	Very low	44.2	Very low	117 Å²	117	114.5 Å²	114.5	55%	0.547	62%	0.623	S	S	.	*	H	α-helix	trans	-72.8	-15.3	175.2	-74.1	-172.4	52.6	0	0	113.7	S149 Q150 K155	S149-Q153 PolarHBondContact O-N 3.29Å; Q150-Q153 PolarHBondContact O-N 3.29Å; Q153-K155 PolarHBondContact O-N 3.12Å
154	A	40.4	Very low	45.3	Very low	90 Å²	90	114.9 Å²	114.9	74%	0.744	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-6.7	174.8	0	0	0	0	0	114.2	N152	N152-A154 PolarHBondContact O-N 3.26Å
155	K	42.4	Very low	47.3	Very low	181 Å²	181	115.2 Å²	115.2	79%	0.787	63%	0.632	S	S	*	*	S	Bend	trans	-127.4	114.3	171.5	-67.7	-178.1	-179.8	177	0	110.5	Q153	Q153-K155 PolarHBondContact O-N 3.12Å
156	S	43.2	Very low	49.3	Very low	113 Å²	113	110.9 Å²	110.9	79%	0.79	61%	0.614	S	S	*	*	S	Bend	trans	77.2	63.3	173.2	75.5	0	0	0	0	119
157	K	35.3	Very low	51.3	Low	185 Å²	185	104.9 Å²	104.9	80%	0.804	59%	0.59	S	S	*	*				-171.7	156.5	120.7	-99.9	149.7	-169.5	173.8	0	112.4	V159	K157-V159 HydrophobicContact CB-CG2 4.47Å; K157-V159 PolarHBondContact O-N 3.47Å
158	S	43.1	Very low	53.5	Low	126 Å²	126	100.9 Å²	100.9	88%	0.881	57%	0.572	S	S	*	*			trans	-72.6	90.4	169.3	54.6	0	0	0	0	109.9
159	V	35.6	Very low	55.9	Low	96 Å²	96	105.7 Å²	105.7	58%	0.582	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-93.6	125.9	174.5	178.6	0	0	0	0	108.2	K157	K157-V159 HydrophobicContact CB-CG2 4.47Å; K157-V159 PolarHBondContact O-N 3.47Å
160	V	33.7	Very low	58.1	Low	126 Å²	126	106 Å²	106	76%	0.764	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-61.1	129.3	170.1	175.3	0	0	0	0	107.6
161	P	33.8	Very low	60.1	Low	105 Å²	105	101.2 Å²	101.2	68%	0.682	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-53.6	135	-179.3	-27.4	34.9	0	0	0	111	E163	P161-E163 PolarHBondContact O-N 3.47Å
162	P	45.1	Very low	62.2	Low	117 Å²	117	96.9 Å²	96.9	76%	0.76	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-58	136.9	168.2	27.2	-33.5	0	0	0	108.2	S164	P162-S164 PolarHBondContact O-N 3.33Å
163	E	53.9	Low	64.5	Low	151 Å²	151	95.7 Å²	95.7	71%	0.706	54%	0.54	S	S	*	.			trans	-56.1	114.7	-177.7	-73.4	-158	115.1	0	0	109.9	P161 F165 R169	P161-E163 PolarHBondContact O-N 3.47Å; E163-F165 PolarHBondContact O-N 3.12Å; E163-R169 IonicContact OE1-CZ 3.2Å; E163-R169 IonicContact OE1-NH1 2.76Å; E163-R169 PolarHBondContact OE1-NH1 3.48Å; E163-R169 IonicContact OE1-NH2 2.74Å; E163-R169 PolarHBondContact OE1-NH2 2.95Å; E163-R169 IonicContact OE2-NH1 3.2Å; E163-R169 PolarHBondContact OE2-NH1 3.01Å
164	S	73.4	Confident	66.4	Low	108 Å²	108	92.4 Å²	92.4	76%	0.755	53%	0.53	S	S	*	.			trans	-62.5	132.1	174	57.3	0	0	0	0	108.9	P162 D166	P162-S164 PolarHBondContact O-N 3.33Å; S164-D166 PolarHBondContact O-N 3.47Å
165	F	91.1	Very high	68.7	Low	58 Å²	58	94.5 Å²	94.5	25%	0.254	53%	0.529	S	S	.	.			trans	-53.8	128.2	-177.6	170.1	-92.9	0	0	0	112.8	E163 W167 Y170 V533 L579 P581 P582	E163-F165 PolarHBondContact O-N 3.12Å; F165-W167 HydrophobicContact CE1-CB 4.31Å; F165-W167 AromaticContact CE1-CD1 3.96Å; F165-W167 AromaticContact CE1-CD2 3.57Å; F165-W167 HydrophobicContact CE1-CD2 3.57Å; F165-W167 AromaticContact CE1-CE2 3.86Å; F165-W167 HydrophobicContact CE1-CE3 4.01Å; F165-W167 AromaticContact CE1-CG 3.68Å; F165-W167 HydrophobicContact CE1-CG 3.68Å; F165-W167 AromaticContact CZ-CD2 4Å; F165-W167 HydrophobicContact CZ-CD2 4Å; F165-W167 AromaticContact CZ-CE3 3.93Å; F165-W167 HydrophobicContact CZ-CE3 3.93Å; F165-W167 HydrophobicContact CZ-CG 4.39Å; F165-W167 HydrophobicContact CZ-CZ3 4.39Å; F165-Y170 HydrophobicContact CE2-CD1 4.11Å; F165-Y170 AromaticContact CE2-CD2 4Å; F165-Y170 HydrophobicContact CE2-CD2 4Å; F165-Y170 AromaticContact CE2-CG 3.69Å; F165-Y170 HydrophobicContact CE2-CG 3.69Å; F165-Y170 AromaticContact CZ-CD1 3.79Å; F165-Y170 HydrophobicContact CZ-CD1 3.79Å; F165-Y170 HydrophobicContact CZ-CD2 4.49Å; F165-Y170 AromaticContact CZ-CG 3.75Å; F165-Y170 HydrophobicContact CZ-CG 3.75Å; F165-V533 HydrophobicContact CD1-CG2 3.93Å; F165-V533 HydrophobicContact CE1-CG2 3.39Å; F165-V533 HydrophobicContact CE2-CG2 4.25Å; F165-V533 HydrophobicContact CZ-CB 4.49Å; F165-V533 HydrophobicContact CZ-CG1 4.15Å; F165-V533 HydrophobicContact CZ-CG2 3.58Å; F165-L579 HydrophobicContact CD1-CD2 3.78Å; F165-L579 HydrophobicContact CE1-CD2 3.98Å; F165-P581 HydrophobicContact CB-CB 4Å; F165-P581 HydrophobicContact CD2-CB 4.46Å; F165-P581 HydrophobicContact CG-CB 4.43Å; F165-P582 VanDerWaalsContact CD2-CD 3.48Å; F165-P582 HydrophobicContact CD2-CG 4.31Å; F165-P582 VanDerWaalsContact CE2-CD 3.45Å; F165-P582 HydrophobicContact CE2-CG 3.81Å; F165-P582 HydrophobicContact CZ-CG 4.46Å
166	D	93	Very high	71	Confident	55 Å²	55	87.1 Å²	87.1	29%	0.294	50%	0.499	S	S	.	.			trans	-113.2	103	-179.1	-175	-4	0	0	0	110.3	S164 G168 R169 Y170	S164-D166 PolarHBondContact O-N 3.47Å; D166-G168 PolarHBondContact O-N 3.41Å; D166-G168 VanDerWaalsContact O-N 3.14Å; D166-G168 WeakPolarHBondContact OD1-CA 3.31Å; D166-G168 PolarHBondContact OD1-N 3.21Å; D166-R169 HydrophobicContact CB-CB 4.26Å; D166-R169 HydrophobicContact CB-CG 4.06Å; D166-R169 PolarHBondContact O-N 2.68Å; D166-R169 WeakPolarHBondContact OD2-CG 3.39Å; D166-R169 IonicContact OD2-NE 3.29Å; D166-Y170 PolarHBondContact O-N 2.79Å
167	W	95.6	Very high	73.5	Confident	6 Å²	6	85.3 Å²	85.3	2%	0.023	48%	0.483	C	S	.	.	H	α-helix	trans	-45.9	-38.1	170.4	-89.7	124.3	0	0	0	113.6	F165 Y170 I171 K519 E521 V533 V569 L579	F165-W167 HydrophobicContact CE1-CB 4.31Å; F165-W167 AromaticContact CE1-CD1 3.96Å; F165-W167 AromaticContact CE1-CD2 3.57Å; F165-W167 HydrophobicContact CE1-CD2 3.57Å; F165-W167 AromaticContact CE1-CE2 3.86Å; F165-W167 HydrophobicContact CE1-CE3 4.01Å; F165-W167 AromaticContact CE1-CG 3.68Å; F165-W167 HydrophobicContact CE1-CG 3.68Å; F165-W167 AromaticContact CZ-CD2 4Å; F165-W167 HydrophobicContact CZ-CD2 4Å; F165-W167 AromaticContact CZ-CE3 3.93Å; F165-W167 HydrophobicContact CZ-CE3 3.93Å; F165-W167 HydrophobicContact CZ-CG 4.39Å; F165-W167 HydrophobicContact CZ-CZ3 4.39Å; W167-Y170 HydrophobicContact CE3-CD1 4.09Å; W167-Y170 AromaticContact CZ3-CD1 3.96Å; W167-Y170 HydrophobicContact CZ3-CD1 3.96Å; W167-Y170 HydrophobicContact CZ3-CE1 4.41Å; W167-Y170 PolarHBondContact O-N 3.39Å; W167-I171 HydrophobicContact CB-CD1 4.43Å; W167-I171 HydrophobicContact CE3-CD1 3.82Å; W167-I171 HydrophobicContact CE3-CG1 4.08Å; W167-I171 HydrophobicContact CZ3-CD1 4.48Å; W167-I171 VanDerWaalsContact O-CB 3.31Å; W167-I171 WeakPolarHBondContact O-CB 3.29Å; W167-I171 WeakPolarHBondContact O-CD1 3.5Å; W167-I171 VanDerWaalsContact O-CG1 3.3Å; W167-I171 WeakPolarHBondContact O-CG1 3.38Å; W167-I171 PolarHBondContact O-N 3.48Å; W167-K519 HydrophobicContact CH2-CB 4Å; W167-K519 HydrophobicContact CZ3-CB 3.78Å; W167-K519 HydrophobicContact CZ3-CG 4.28Å; W167-E521 HydrophobicContact CZ2-CG 3.64Å; W167-E521 PolarHBondContact NE1-OE1 3.47Å; W167-V533 HydrophobicContact CH2-CB 4.26Å; W167-V533 HydrophobicContact CH2-CG1 3.6Å; W167-V533 HydrophobicContact CH2-CG2 4.15Å; W167-V533 HydrophobicContact CZ2-CB 4.37Å; W167-V533 HydrophobicContact CZ2-CG1 4.17Å; W167-V533 HydrophobicContact CZ2-CG2 3.86Å; W167-V533 HydrophobicContact CZ3-CG1 3.98Å; W167-V569 HydrophobicContact CB-CG1 4.17Å; W167-V569 HydrophobicContact CD2-CG1 3.67Å; W167-V569 HydrophobicContact CD2-CG2 4.29Å; W167-V569 HydrophobicContact CE3-CG1 4.1Å; W167-V569 HydrophobicContact CE3-CG2 4.24Å; W167-V569 HydrophobicContact CG-CG1 3.73Å; W167-V569 HydrophobicContact CH2-CG2 3.85Å; W167-V569 HydrophobicContact CZ2-CG2 3.91Å; W167-V569 HydrophobicContact CZ3-CG2 4.03Å; W167-L579 VanDerWaalsContact NE1-CD2 3.31Å
168	G	93.5	Very high	76.4	Confident	1 Å²	1	76.7 Å²	76.7	1%	0.01	45%	0.446	C	S	.	.	H	α-helix	trans	-67	-45.8	-177.5	0	0	0	0	0	112.4	D166 Y170 C172 W245	D166-G168 PolarHBondContact O-N 3.41Å; D166-G168 VanDerWaalsContact O-N 3.14Å; D166-G168 WeakPolarHBondContact OD1-CA 3.31Å; D166-G168 PolarHBondContact OD1-N 3.21Å; G168-Y170 VanDerWaalsContact C-N 3.34Å; G168-C172 WeakPolarHBondContact O-CB 3.49Å; G168-C172 PolarHBondContact O-N 2.83Å; G168-C172 PolarHBondContact O-SG 2.85Å; G168-C172 VanDerWaalsContact O-SG 3.42Å; G168-W245 VanDerWaalsContact CA-CG 3.46Å; G168-W245 VanDerWaalsContact CA-NE1 3.27Å; G168-W245 PolarHBondContact O-NE1 2.83Å; G168-W245 VanDerWaalsContact O-NE1 3.09Å
169	R	92.5	Very high	79	Confident	147 Å²	147	70.7 Å²	70.7	56%	0.555	40%	0.404	S	S	*	.	H	α-helix	trans	-60.8	-44.9	171.1	-65.2	178.7	-166.5	-171.9	2.5	110.9	E163 D166 S173	E163-R169 IonicContact OE1-CZ 3.2Å; E163-R169 IonicContact OE1-NH1 2.76Å; E163-R169 PolarHBondContact OE1-NH1 3.48Å; E163-R169 IonicContact OE1-NH2 2.74Å; E163-R169 PolarHBondContact OE1-NH2 2.95Å; E163-R169 IonicContact OE2-NH1 3.2Å; E163-R169 PolarHBondContact OE2-NH1 3.01Å; D166-R169 HydrophobicContact CB-CB 4.26Å; D166-R169 HydrophobicContact CB-CG 4.06Å; D166-R169 PolarHBondContact O-N 2.68Å; D166-R169 WeakPolarHBondContact OD2-CG 3.39Å; D166-R169 IonicContact OD2-NE 3.29Å; R169-S173 WeakPolarHBondContact O-CB 3.36Å; R169-S173 PolarHBondContact O-N 3.19Å; R169-S173 PolarHBondContact O-OG 2.86Å; R169-S173 VanDerWaalsContact O-OG 3.05Å
170	Y	94.7	Very high	81.9	Confident	58 Å²	58	68.4 Å²	68.4	23%	0.227	39%	0.391	C	S	.	.	H	α-helix	trans	-65.1	-43.2	-176	-170	-114.9	0	0	0	112.9	F165 D166 W167 G168 S173 S174 K519 V533 D549 P582	F165-Y170 HydrophobicContact CE2-CD1 4.11Å; F165-Y170 AromaticContact CE2-CD2 4Å; F165-Y170 HydrophobicContact CE2-CD2 4Å; F165-Y170 AromaticContact CE2-CG 3.69Å; F165-Y170 HydrophobicContact CE2-CG 3.69Å; F165-Y170 AromaticContact CZ-CD1 3.79Å; F165-Y170 HydrophobicContact CZ-CD1 3.79Å; F165-Y170 HydrophobicContact CZ-CD2 4.49Å; F165-Y170 AromaticContact CZ-CG 3.75Å; F165-Y170 HydrophobicContact CZ-CG 3.75Å; D166-Y170 PolarHBondContact O-N 2.79Å; W167-Y170 HydrophobicContact CE3-CD1 4.09Å; W167-Y170 AromaticContact CZ3-CD1 3.96Å; W167-Y170 HydrophobicContact CZ3-CD1 3.96Å; W167-Y170 HydrophobicContact CZ3-CE1 4.41Å; W167-Y170 PolarHBondContact O-N 3.39Å; G168-Y170 VanDerWaalsContact C-N 3.34Å; Y170-S173 PolarHBondContact O-OG 2.73Å; Y170-S174 WeakPolarHBondContact O-CB 3.49Å; Y170-S174 PolarHBondContact O-N 3.45Å; Y170-S174 VanDerWaalsContact O-N 3.14Å; Y170-S174 PolarHBondContact O-OG 3.08Å; Y170-K519 HydrophobicContact CE1-CD 4.35Å; Y170-V533 HydrophobicContact CE1-CG1 4.06Å; Y170-D549 PolarHBondContact OH-OD2 3.16Å; Y170-P582 HydrophobicContact CE2-CG 4.26Å
171	I	93.8	Very high	85	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-70.2	-39.2	179.7	-74.1	163.1	0	0	0	111.4	W167 N175 T176 A225 W245 V569	W167-I171 HydrophobicContact CB-CD1 4.43Å; W167-I171 HydrophobicContact CE3-CD1 3.82Å; W167-I171 HydrophobicContact CE3-CG1 4.08Å; W167-I171 HydrophobicContact CZ3-CD1 4.48Å; W167-I171 VanDerWaalsContact O-CB 3.31Å; W167-I171 WeakPolarHBondContact O-CB 3.29Å; W167-I171 WeakPolarHBondContact O-CD1 3.5Å; W167-I171 VanDerWaalsContact O-CG1 3.3Å; W167-I171 WeakPolarHBondContact O-CG1 3.38Å; W167-I171 PolarHBondContact O-N 3.48Å; I171-N175 WeakPolarHBondContact O-CA 3.47Å; I171-N175 PolarHBondContact O-N 3.46Å; I171-N175 VanDerWaalsContact O-N 3.14Å; I171-T176 PolarHBondContact O-N 3.31Å; I171-A225 HydrophobicContact CD1-CB 3.63Å; I171-W245 HydrophobicContact CB-CZ2 4.29Å; I171-W245 HydrophobicContact CG2-CH2 3.96Å; I171-W245 HydrophobicContact CG2-CZ2 3.87Å; I171-V569 HydrophobicContact CD1-CG1 3.93Å
172	C	90.3	Very high	88	Confident	69 Å²	69	60.8 Å²	60.8	47%	0.466	35%	0.346	S	S	.	.	H	α-helix	trans	-68.3	-44.6	175.1	-71.7	0	0	0	0	112.4	G168 S174 N175 W245	G168-C172 WeakPolarHBondContact O-CB 3.49Å; G168-C172 PolarHBondContact O-N 2.83Å; G168-C172 PolarHBondContact O-SG 2.85Å; G168-C172 VanDerWaalsContact O-SG 3.42Å; C172-S174 PolarHBondContact O-N 3.4Å; C172-N175 PolarHBondContact O-N 3.22Å; C172-W245 PolarHBondContact SG-NE1 2.89Å
173	S	87.9	Confident	90.5	Very high	101 Å²	101	55.6 Å²	55.6	71%	0.706	31%	0.312	S	S	*	.	H	α-helix	trans	-71.8	-29.7	-175.9	65.9	0	0	0	0	113.9	R169 Y170	R169-S173 WeakPolarHBondContact O-CB 3.36Å; R169-S173 PolarHBondContact O-N 3.19Å; R169-S173 PolarHBondContact O-OG 2.86Å; R169-S173 VanDerWaalsContact O-OG 3.05Å; Y170-S173 PolarHBondContact O-OG 2.73Å
174	S	82.6	Confident	92.6	Very high	48 Å²	48	48.6 Å²	48.6	34%	0.336	28%	0.28	S	S	.	.	H	α-helix	trans	-93.6	-5.8	177.1	61.6	0	0	0	0	114.2	Y170 C172 T176	Y170-S174 WeakPolarHBondContact O-CB 3.49Å; Y170-S174 PolarHBondContact O-N 3.45Å; Y170-S174 VanDerWaalsContact O-N 3.14Å; Y170-S174 PolarHBondContact O-OG 3.08Å; C172-S174 PolarHBondContact O-N 3.4Å; S174-T176 PolarHBondContact O-N 3.15Å; S174-T176 WeakPolarHBondContact OG-CB 3.39Å; S174-T176 VanDerWaalsContact OG-CG2 3.25Å; S174-T176 WeakPolarHBondContact OG-CG2 3.39Å; S174-T176 PolarHBondContact OG-OG1 2.81Å
175	N	88.6	Confident	93.7	Very high	134 Å²	134	49.5 Å²	49.5	72%	0.717	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	38.6	-168.4	-167.3	31.9	0	0	0	113.9	I171 C172	I171-N175 WeakPolarHBondContact O-CA 3.47Å; I171-N175 PolarHBondContact O-N 3.46Å; I171-N175 VanDerWaalsContact O-N 3.14Å; C172-N175 PolarHBondContact O-N 3.22Å
176	T	91.4	Very high	94	Very high	26 Å²	26	48.1 Å²	48.1	16%	0.16	26%	0.264	C	S	.	.			trans	-87.5	176.2	-179.4	50.2	0	0	0	0	112.1	I171 S174 K223 K519	I171-T176 PolarHBondContact O-N 3.31Å; S174-T176 PolarHBondContact O-N 3.15Å; S174-T176 WeakPolarHBondContact OG-CB 3.39Å; S174-T176 VanDerWaalsContact OG-CG2 3.25Å; S174-T176 WeakPolarHBondContact OG-CG2 3.39Å; S174-T176 PolarHBondContact OG-OG1 2.81Å; T176-K223 PolarHBondContact O-NZ 3.08Å; T176-K519 HydrophobicContact CG2-CG 4.39Å
177	V	94.3	Very high	94.2	Very high	75 Å²	75	45.7 Å²	45.7	46%	0.455	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.8	178.9	179.2	0	0	0	0	107.9	M518 K519	V177-M518 WeakPolarHBondContact O-CA 3.04Å; V177-K519 PolarHBondContact O-N 3.12Å
178	G	96.7	Very high	94.2	Very high	4 Å²	4	45.7 Å²	45.7	4%	0.041	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	140.6	170.6	0	0	0	0	0	110.6	K519	G178-K519 CarbonylContact C-O 3.54Å; G178-K519 WeakPolarHBondContact CA-O 3.29Å
179	A	97.9	Very high	94.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-58.1	133.3	170.8	0	0	0	0	0	109.9	F184 G226 F514 M518 K519	A179-F184 HydrophobicContact CB-CE2 3.58Å; A179-F184 HydrophobicContact CB-CZ 3.66Å; A179-G226 WeakPolarHBondContact O-CA 3.28Å; A179-G226 PolarHBondContact O-N 3.24Å; A179-F514 HydrophobicContact CB-CD1 4.19Å; A179-F514 HydrophobicContact CB-CE1 4.02Å; A179-M518 HydrophobicContact CB-CB 4.18Å; A179-M518 HydrophobicContact CB-SD 3.99Å; A179-K519 PolarHBondContact N-O 2.95Å
180	P	96.9	Very high	94.4	Very high	47 Å²	47	39 Å²	39	31%	0.305	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-70.1	152.4	-178.7	29.5	-34.8	0	0	0	111	S182 C183 F184	P180-S182 PolarHBondContact O-N 2.99Å; P180-S182 VanDerWaalsContact O-N 3.11Å; P180-C183 WeakPolarHBondContact O-CB 3.45Å; P180-C183 PolarHBondContact O-N 3.34Å; P180-F184 VanDerWaalsContact O-CD2 3.31Å; P180-F184 WeakPolarHBondContact O-CD2 3.32Å; P180-F184 WeakPolarHBondContact O-CE2 3.32Å
181	V	98.1	Very high	94.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-57	-31.3	-176.4	-179.1	0	0	0	0	112.4	C183 F184 W193 G226 F227 P568	V181-C183 PolarHBondContact O-N 2.96Å; V181-F184 PolarHBondContact O-N 2.95Å; V181-W193 HydrophobicContact CB-CB 4.25Å; V181-W193 HydrophobicContact CB-CD2 3.54Å; V181-W193 HydrophobicContact CB-CE3 3.85Å; V181-W193 HydrophobicContact CB-CG 3.71Å; V181-W193 HydrophobicContact CB-CZ3 4.47Å; V181-W193 HydrophobicContact CG1-CB 4.49Å; V181-W193 HydrophobicContact CG1-CD2 4.01Å; V181-W193 HydrophobicContact CG1-CE3 3.82Å; V181-W193 HydrophobicContact CG1-CG 4.31Å; V181-W193 HydrophobicContact CG1-CZ3 4.43Å; V181-W193 HydrophobicContact CG2-CD2 3.68Å; V181-W193 HydrophobicContact CG2-CE3 3.88Å; V181-W193 HydrophobicContact CG2-CG 4.3Å; V181-W193 HydrophobicContact CG2-CH2 3.96Å; V181-W193 HydrophobicContact CG2-CZ2 3.74Å; V181-W193 HydrophobicContact CG2-CZ3 4.02Å; V181-G226 WeakPolarHBondContact CG2-O 3.45Å; V181-F227 HydrophobicContact CB-CE1 4.44Å; V181-F227 HydrophobicContact CG1-CD1 4.44Å; V181-F227 HydrophobicContact CG1-CE1 3.68Å; V181-F227 HydrophobicContact CG1-CZ 3.87Å; V181-F227 HydrophobicContact CG2-CD1 3.75Å; V181-F227 HydrophobicContact CG2-CE1 3.81Å; V181-F227 HydrophobicContact CG2-CG 4.12Å; V181-F227 HydrophobicContact CG2-CZ 4.25Å; V181-P568 HydrophobicContact CB-CG 4.29Å; V181-P568 HydrophobicContact CG1-CG 4.14Å; V181-P568 HydrophobicContact CG2-CB 3.96Å; V181-P568 HydrophobicContact CG2-CG 4.17Å
182	S	96.4	Very high	94.3	Very high	71 Å²	71	43.8 Å²	43.8	50%	0.497	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-64.1	-14.2	176	51	0	0	0	0	115.6	P180 F184	P180-S182 PolarHBondContact O-N 2.99Å; P180-S182 VanDerWaalsContact O-N 3.11Å; S182-F184 PolarHBondContact O-N 2.86Å
183	C	97.8	Very high	94.5	Very high	8 Å²	8	41.1 Å²	41.1	5%	0.054	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-72.1	-17.9	169.2	-65.5	0	0	0	0	112.4	P180 V181 H512 F514	P180-C183 WeakPolarHBondContact O-CB 3.45Å; P180-C183 PolarHBondContact O-N 3.34Å; V181-C183 PolarHBondContact O-N 2.96Å; C183-H512 PolarHBondContact SG-O 2.91Å; C183-F514 HydrophobicContact CB-CD1 4.33Å; C183-F514 HydrophobicContact CB-CD2 4.11Å; C183-F514 HydrophobicContact CB-CE1 3.95Å; C183-F514 HydrophobicContact CB-CE2 3.71Å; C183-F514 HydrophobicContact CB-CG 4.41Å; C183-F514 HydrophobicContact CB-CZ 3.63Å
184	F	98.3	Very high	94.4	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.018	25%	0.25	C	C	.	.			trans	-117	76	-167	-53.9	-91	0	0	0	111	A179 P180 V181 S182 H186 A187 F514 L520 L566 Y567 P568	A179-F184 HydrophobicContact CB-CE2 3.58Å; A179-F184 HydrophobicContact CB-CZ 3.66Å; P180-F184 VanDerWaalsContact O-CD2 3.31Å; P180-F184 WeakPolarHBondContact O-CD2 3.32Å; P180-F184 WeakPolarHBondContact O-CE2 3.32Å; V181-F184 PolarHBondContact O-N 2.95Å; S182-F184 PolarHBondContact O-N 2.86Å; F184-H186 PolarHBondContact O-N 3.28Å; F184-A187 HydrophobicContact CB-CB 3.8Å; F184-A187 WeakPolarHBondContact O-CB 3.45Å; F184-A187 PolarHBondContact O-N 3.33Å; F184-F514 HydrophobicContact CD1-CZ 4.04Å; F184-F514 AromaticContact CE1-CE1 3.82Å; F184-F514 HydrophobicContact CE1-CE1 3.82Å; F184-F514 AromaticContact CE1-CZ 3.63Å; F184-F514 HydrophobicContact CE1-CZ 3.63Å; F184-F514 HydrophobicContact CE2-CE1 4.25Å; F184-F514 HydrophobicContact CE2-CZ 4.38Å; F184-F514 AromaticContact CZ-CE1 3.62Å; F184-F514 HydrophobicContact CZ-CE1 3.62Å; F184-F514 AromaticContact CZ-CZ 3.84Å; F184-F514 HydrophobicContact CZ-CZ 3.84Å; F184-L520 HydrophobicContact CE1-CB 4.39Å; F184-L520 HydrophobicContact CE1-CD2 4.32Å; F184-L520 HydrophobicContact CZ-CB 3.88Å; F184-L520 HydrophobicContact CZ-CD2 4.18Å; F184-L566 HydrophobicContact CD1-CB 4.3Å; F184-L566 WeakPolarHBondContact CD1-O 3.32Å; F184-L566 HydrophobicContact CE1-CB 3.98Å; F184-Y567 VanDerWaalsContact CE1-C 3.47Å; F184-P568 HydrophobicContact CB-CG 3.98Å; F184-P568 HydrophobicContact CD2-CB 3.93Å; F184-P568 HydrophobicContact CD2-CG 3.48Å; F184-P568 VanDerWaalsContact CD2-CG 3.48Å; F184-P568 HydrophobicContact CE2-CB 3.97Å; F184-P568 HydrophobicContact CE2-CG 4.02Å; F184-P568 HydrophobicContact CG-CG 3.8Å
185	K	96.3	Very high	94.7	Very high	128 Å²	128	42.2 Å²	42.2	56%	0.557	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-29.7	-174	-67.4	-177.9	176.9	178.8	0	115.4	E562	K185-E562 WeakPolarHBondContact CE-OE1 3.34Å; K185-E562 IonicContact NZ-OE1 2.68Å; K185-E562 PolarHBondContact NZ-OE1 3.08Å
186	H	96.9	Very high	95	Very high	28 Å²	28	36.4 Å²	36.4	13%	0.13	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-12.6	-177.9	67.7	-89.7	0	0	0	113.8	F184 Y356 S563 L566 Y567	F184-H186 PolarHBondContact O-N 3.28Å; H186-Y356 HydrophobicContact CB-CD2 3.94Å; H186-Y356 HydrophobicContact CB-CE2 4.21Å; H186-S563 PolarHBondContact CE1-O 3.13Å; H186-S563 PolarHBondContact ND1-O 3.32Å; H186-L566 PolarHBondContact CE1-O 3.21Å; H186-L566 PolarHBondContact NE2-O 2.74Å; H186-L566 VanDerWaalsContact NE2-O 3.13Å; H186-Y567 AromaticContact CD2-CE1 3.84Å; H186-Y567 AromaticContact NE2-CD1 3.38Å; H186-Y567 WeakPolarHBondContact NE2-CD1 3.46Å; H186-Y567 AromaticContact NE2-CE1 3.27Å; H186-Y567 VanDerWaalsContact NE2-CE1 3.27Å; H186-Y567 WeakPolarHBondContact NE2-CE1 3.34Å
187	A	97.3	Very high	95.1	Very high	5 Å²	5	39.1 Å²	39.1	4%	0.041	24%	0.238	C	C	.	.	S	Bend	trans	-76.9	154.5	-178.9	0	0	0	0	0	110.5	F184 M189 G190 P568	F184-A187 HydrophobicContact CB-CB 3.8Å; F184-A187 WeakPolarHBondContact O-CB 3.45Å; F184-A187 PolarHBondContact O-N 3.33Å; A187-M189 PolarHBondContact O-N 2.75Å; A187-G190 PolarHBondContact O-N 2.87Å; A187-P568 HydrophobicContact CB-CG 3.96Å
188	P	95.6	Very high	95.2	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.032	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	131.7	174.9	-26.6	35	0	0	0	111.2	G190 F227 N304 M305 L574	P188-G190 PolarHBondContact O-N 2.71Å; P188-F227 VanDerWaalsContact O-CE1 3.23Å; P188-F227 WeakPolarHBondContact O-CE1 3.45Å; P188-F227 WeakPolarHBondContact O-CZ 3.39Å; P188-N304 HydrophobicContact CB-CB 4.19Å; P188-M305 HydrophobicContact CB-CG 4.43Å; P188-M305 HydrophobicContact CB-SD 3.89Å; P188-M305 HydrophobicContact CG-SD 3.61Å; P188-L574 HydrophobicContact CB-CD2 4.43Å
189	M	95.7	Very high	95.2	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	8.1	-175	-53.9	-65	-73.2	0	0	116	A187 T191 C192 W193 F297 K300 V301 N304	A187-M189 PolarHBondContact O-N 2.75Å; M189-T191 PolarHBondContact O-N 3.06Å; M189-T191 VanDerWaalsContact O-N 3.12Å; M189-C192 HydrophobicContact CE-CB 3.77Å; M189-C192 CarbonylContact O-C 3.54Å; M189-C192 PolarHBondContact O-N 3.19Å; M189-C192 HydrophobicContact SD-CB 4.24Å; M189-W193 HydrophobicContact CB-CE3 3.82Å; M189-W193 HydrophobicContact CB-CZ3 4.18Å; M189-W193 PolarHBondContact O-N 3Å; M189-F297 HydrophobicContact CE-CD2 3.72Å; M189-F297 HydrophobicContact CE-CE2 3.77Å; M189-K300 HydrophobicContact CE-CB 3.72Å; M189-K300 HydrophobicContact CE-CD 4.43Å; M189-K300 HydrophobicContact SD-CB 3.72Å; M189-V301 HydrophobicContact CE-CG2 4.09Å; M189-V301 HydrophobicContact CG-CG2 3.8Å; M189-V301 HydrophobicContact SD-CB 4.42Å; M189-V301 HydrophobicContact SD-CG2 3.84Å; M189-V301 PolarHBondContact SD-N 2.6Å; M189-N304 HydrophobicContact CG-CB 4.44Å; M189-N304 PolarHBondContact N-OD1 3.48Å; M189-N304 HydrophobicContact SD-CB 4.15Å
190	G	95.2	Very high	95.2	Very high	7 Å²	7	41.8 Å²	41.8	7%	0.072	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-34.6	179.2	0	0	0	0	0	114.6	A187 P188	A187-G190 PolarHBondContact O-N 2.87Å; P188-G190 PolarHBondContact O-N 2.71Å
191	T	93.6	Very high	95.2	Very high	113 Å²	113	40.9 Å²	40.9	69%	0.693	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-6.6	177.5	51.3	0	0	0	0	114.3	M189	M189-T191 PolarHBondContact O-N 3.06Å; M189-T191 VanDerWaalsContact O-N 3.12Å
192	C	92	Very high	95.2	Very high	46 Å²	46	40.9 Å²	40.9	31%	0.311	24%	0.242	S	C	.	.	S	Bend	trans	-124.2	22.8	-170.2	-66.2	0	0	0	0	113.2	M189	M189-C192 HydrophobicContact CE-CB 3.77Å; M189-C192 CarbonylContact O-C 3.54Å; M189-C192 PolarHBondContact O-N 3.19Å; M189-C192 HydrophobicContact SD-CB 4.24Å
193	W	94.4	Very high	95.3	Very high	12 Å²	12	37.7 Å²	37.7	5%	0.045	22%	0.219	C	C	.	.			trans	-93.6	-3.8	-176.7	-155.4	-95.5	0	0	0	114.7	V181 M189 D195 I196 G226 F227 L248	V181-W193 HydrophobicContact CB-CB 4.25Å; V181-W193 HydrophobicContact CB-CD2 3.54Å; V181-W193 HydrophobicContact CB-CE3 3.85Å; V181-W193 HydrophobicContact CB-CG 3.71Å; V181-W193 HydrophobicContact CB-CZ3 4.47Å; V181-W193 HydrophobicContact CG1-CB 4.49Å; V181-W193 HydrophobicContact CG1-CD2 4.01Å; V181-W193 HydrophobicContact CG1-CE3 3.82Å; V181-W193 HydrophobicContact CG1-CG 4.31Å; V181-W193 HydrophobicContact CG1-CZ3 4.43Å; V181-W193 HydrophobicContact CG2-CD2 3.68Å; V181-W193 HydrophobicContact CG2-CE3 3.88Å; V181-W193 HydrophobicContact CG2-CG 4.3Å; V181-W193 HydrophobicContact CG2-CH2 3.96Å; V181-W193 HydrophobicContact CG2-CZ2 3.74Å; V181-W193 HydrophobicContact CG2-CZ3 4.02Å; M189-W193 HydrophobicContact CB-CE3 3.82Å; M189-W193 HydrophobicContact CB-CZ3 4.18Å; M189-W193 PolarHBondContact O-N 3Å; W193-D195 PolarHBondContact O-N 2.98Å; W193-D195 VanDerWaalsContact O-N 3.13Å; W193-I196 HydrophobicContact CD2-CB 4.36Å; W193-I196 HydrophobicContact CD2-CD1 3.89Å; W193-I196 HydrophobicContact CE3-CD1 3.84Å; W193-I196 HydrophobicContact CG-CB 4.45Å; W193-I196 HydrophobicContact CH2-CD1 4.04Å; W193-I196 HydrophobicContact CZ2-CB 4.45Å; W193-I196 HydrophobicContact CZ2-CD1 4.09Å; W193-I196 HydrophobicContact CZ2-CG2 3.94Å; W193-I196 HydrophobicContact CZ3-CD1 3.91Å; W193-I196 PolarHBondContact O-N 2.99Å; W193-I196 VanDerWaalsContact O-N 3.09Å; W193-G226 WeakPolarHBondContact CZ2-O 3.35Å; W193-F227 AromaticContact CH2-CD1 3.75Å; W193-F227 HydrophobicContact CH2-CD1 3.75Å; W193-F227 HydrophobicContact CH2-CE1 4.45Å; W193-F227 AromaticContact CZ3-CD1 3.71Å; W193-F227 HydrophobicContact CZ3-CD1 3.71Å; W193-F227 AromaticContact CZ3-CE1 3.97Å; W193-F227 HydrophobicContact CZ3-CE1 3.97Å; W193-L248 HydrophobicContact CH2-CB 4.24Å; W193-L248 HydrophobicContact CH2-CD1 4.2Å; W193-L248 HydrophobicContact CZ2-CD1 4.01Å
194	G	87.6	Confident	95.3	Very high	75 Å²	75	37.3 Å²	37.3	77%	0.773	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-27	-168.6	0	0	0	0	0	115.7	I196	G194-I196 VanDerWaalsContact C-N 3.31Å; G194-I196 PolarHBondContact O-N 2.59Å
195	D	88.1	Confident	95.2	Very high	97 Å²	97	38.8 Å²	38.8	52%	0.519	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-0.2	-179.3	-54.7	-55.7	0	0	0	113.7	W193 P294	W193-D195 PolarHBondContact O-N 2.98Å; W193-D195 VanDerWaalsContact O-N 3.13Å; D195-P294 HydrophobicContact CB-CG 3.82Å; D195-P294 WeakPolarHBondContact OD2-CG 3.32Å
196	I	94.3	Very high	95.2	Very high	12 Å²	12	33 Å²	33	6%	0.062	20%	0.202	C	C	.	.			trans	-109.1	101.4	-170.3	-52.8	-176.1	0	0	0	110.5	W193 G194 I221 L224 L248 L293 F297	W193-I196 HydrophobicContact CD2-CB 4.36Å; W193-I196 HydrophobicContact CD2-CD1 3.89Å; W193-I196 HydrophobicContact CE3-CD1 3.84Å; W193-I196 HydrophobicContact CG-CB 4.45Å; W193-I196 HydrophobicContact CH2-CD1 4.04Å; W193-I196 HydrophobicContact CZ2-CB 4.45Å; W193-I196 HydrophobicContact CZ2-CD1 4.09Å; W193-I196 HydrophobicContact CZ2-CG2 3.94Å; W193-I196 HydrophobicContact CZ3-CD1 3.91Å; W193-I196 PolarHBondContact O-N 2.99Å; W193-I196 VanDerWaalsContact O-N 3.09Å; G194-I196 VanDerWaalsContact C-N 3.31Å; G194-I196 PolarHBondContact O-N 2.59Å; I196-I221 HydrophobicContact CG2-CD1 4.45Å; I196-L224 HydrophobicContact CG2-CD1 4.29Å; I196-L224 HydrophobicContact CG2-CD2 4.35Å; I196-L224 WeakPolarHBondContact O-CD1 3.38Å; I196-L248 HydrophobicContact CG2-CD1 3.64Å; I196-L293 HydrophobicContact CD1-CD2 3.82Å; I196-L293 HydrophobicContact CG1-CD2 3.87Å; I196-F297 HydrophobicContact CD1-CD2 4.08Å; I196-F297 HydrophobicContact CD1-CE2 3.46Å; I196-F297 VanDerWaalsContact CD1-CE2 3.46Å; I196-F297 HydrophobicContact CD1-CZ 4.12Å
197	E	95.1	Very high	95	Very high	84 Å²	84	36.2 Å²	36.2	39%	0.393	23%	0.227	S	C	.	.			trans	-131.7	172.1	-178.5	63.4	-178.9	-142.7	0	0	111.8	V200 K291	E197-V200 HydrophobicContact CG-CG2 3.64Å; E197-V200 WeakPolarHBondContact O-CB 3.32Å; E197-V200 VanDerWaalsContact O-CG2 3.32Å; E197-V200 WeakPolarHBondContact O-CG2 3.21Å; E197-K291 HydrophobicContact CG-CD 4.46Å; E197-K291 VanDerWaalsContact OE1-CD 3.28Å; E197-K291 WeakPolarHBondContact OE1-CD 3.29Å; E197-K291 WeakPolarHBondContact OE1-CE 3.43Å; E197-K291 IonicContact OE1-NZ 3.56Å; E197-K291 PolarHBondContact OE1-NZ 3.13Å; E197-K291 IonicContact OE2-NZ 3.52Å; E197-K291 PolarHBondContact OE2-NZ 3.01Å
198	E	96.1	Very high	94.9	Very high	109 Å²	109	36.9 Å²	36.9	51%	0.509	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	143	172.3	-66.5	169.3	179.4	0	0	110	I221 K223 L224	E198-I221 CarbonylContact C-O 3.02Å; E198-I221 WeakPolarHBondContact CA-O 3.39Å; E198-I221 HydrophobicContact CG-CG2 4.41Å; E198-K223 VanDerWaalsContact OE1-CA 3.27Å; E198-K223 WeakPolarHBondContact OE1-CA 3.29Å; E198-L224 HydrophobicContact CG-CD1 4.41Å; E198-L224 HydrophobicContact CG-CG 4.21Å; E198-L224 PolarHBondContact OE1-N 3.43Å
199	G	96.3	Very high	94.7	Very high	26 Å²	26	38.7 Å²	38.7	27%	0.268	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	-9.4	-171.8	0	0	0	0	0	115.5	R201 I221	G199-R201 PolarHBondContact O-NH1 3.33Å; G199-I221 PolarHBondContact N-O 3.41Å
200	V	97.3	Very high	94.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.274	C	S	.	.			trans	-65	138.7	171.1	172.6	0	0	0	0	110.2	E197 I202 I221 K291	E197-V200 HydrophobicContact CG-CG2 3.64Å; E197-V200 WeakPolarHBondContact O-CB 3.32Å; E197-V200 VanDerWaalsContact O-CG2 3.32Å; E197-V200 WeakPolarHBondContact O-CG2 3.21Å; V200-I202 HydrophobicContact CG1-CG2 4.32Å; V200-I221 HydrophobicContact CB-CD1 4.15Å; V200-I221 HydrophobicContact CG1-CD1 4.36Å; V200-I221 PolarHBondContact O-N 3.19Å; V200-K291 HydrophobicContact CG2-CB 4Å
201	R	97.8	Very high	94.2	Very high	28 Å²	28	48.8 Å²	48.8	11%	0.106	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	140.3	179.1	-66.8	-178.7	167.7	52.6	9.3	111.8	G199 I218 A219 E220 E234 V256 R286 A290 K291 T292	G199-R201 PolarHBondContact O-NH1 3.33Å; R201-I218 HydrophobicContact CB-CG2 4.21Å; R201-A219 WeakPolarHBondContact CA-O 3.41Å; R201-E220 IonicContact CZ-OE2 2.73Å; R201-E220 IonicContact NH1-OE2 2.77Å; R201-E220 PolarHBondContact NH1-OE2 2.78Å; R201-E220 IonicContact NH2-OE2 2.76Å; R201-E220 PolarHBondContact NH2-OE2 2.89Å; R201-E234 IonicContact CZ-OE1 2.68Å; R201-E234 IonicContact NE-OE1 2.63Å; R201-E234 PolarHBondContact NE-OE1 2.95Å; R201-E234 IonicContact NH2-OE1 3.14Å; R201-E234 PolarHBondContact NH2-OE1 3.05Å; R201-V256 HydrophobicContact CB-CG2 4.07Å; R201-R286 PolarHBondContact NE-O 3.31Å; R201-A290 HydrophobicContact CG-CB 4.44Å; R201-K291 PolarHBondContact N-O 2.99Å; R201-T292 WeakPolarHBondContact O-CA 3.33Å; R201-T292 PolarHBondContact O-OG1 3.07Å
202	I	97.9	Very high	93.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	152.7	-174.8	55.6	174.6	0	0	0	111.3	V200 V204 I218 A219 I221 L231 L248 V253 L293	V200-I202 HydrophobicContact CG1-CG2 4.32Å; I202-V204 HydrophobicContact CD1-CG1 3.64Å; I202-V204 HydrophobicContact CG1-CG1 3.9Å; I202-I218 CarbonylContact O-C 2.96Å; I202-I218 VanDerWaalsContact O-CA 3.3Å; I202-I218 WeakPolarHBondContact O-CA 3.38Å; I202-A219 PolarHBondContact N-O 3.11Å; I202-A219 PolarHBondContact O-N 2.87Å; I202-I221 HydrophobicContact CD1-CG1 4.31Å; I202-L231 HydrophobicContact CD1-CD1 3.83Å; I202-L231 HydrophobicContact CD1-CD2 3.74Å; I202-L231 HydrophobicContact CD1-CG 4.47Å; I202-L248 HydrophobicContact CD1-CD2 3.8Å; I202-V253 HydrophobicContact CD1-CG1 4.12Å; I202-L293 HydrophobicContact CB-CD1 4.45Å; I202-L293 HydrophobicContact CG2-CD1 3.48Å; I202-L293 VanDerWaalsContact CG2-CD1 3.48Å; I202-L293 HydrophobicContact CG2-CG 3.59Å
203	E	98.1	Very high	93.7	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.019	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.4	168.8	-75.6	175.3	-171.5	0	0	109.8	I218 H254 G257 W258 C259 L266	E203-I218 HydrophobicContact CG-CG1 3.98Å; E203-H254 HydrophobicContact CB-CB 4.17Å; E203-H254 PolarHBondContact N-O 3.45Å; E203-H254 PolarHBondContact O-N 3.5Å; E203-G257 PolarHBondContact OE1-N 3.47Å; E203-W258 PolarHBondContact OE2-N 3.13Å; E203-C259 WeakPolarHBondContact OE2-CB 3.37Å; E203-C259 PolarHBondContact OE2-N 3.07Å; E203-C259 PolarHBondContact OE2-SG 3.35Å; E203-L266 HydrophobicContact CG-CD2 4.06Å
204	V	97.6	Very high	93.6	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	158.1	-174.4	-69.6	0	0	0	0	111.2	I202 N206 Y216 W217 A219 L231 Y233 F244 V253	I202-V204 HydrophobicContact CD1-CG1 3.64Å; I202-V204 HydrophobicContact CG1-CG1 3.9Å; V204-N206 PolarHBondContact O-N 2.98Å; V204-Y216 VanDerWaalsContact C-CD1 3.43Å; V204-Y216 CarbonylContact O-C 3.58Å; V204-Y216 VanDerWaalsContact O-CA 3.29Å; V204-Y216 WeakPolarHBondContact O-CA 3.38Å; V204-W217 PolarHBondContact N-O 2.83Å; V204-W217 PolarHBondContact O-N 3Å; V204-W217 VanDerWaalsContact O-O 3.13Å; V204-A219 HydrophobicContact CG2-CB 3.71Å; V204-L231 HydrophobicContact CG1-CD1 3.97Å; V204-L231 HydrophobicContact CG2-CD1 4.37Å; V204-Y233 HydrophobicContact CG2-CE1 4.17Å; V204-F244 HydrophobicContact CG2-CZ 4.05Å; V204-V253 HydrophobicContact CG1-CG2 4.05Å
205	P	96.6	Very high	94	Very high	34 Å²	34	53.6 Å²	53.6	22%	0.221	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	127.8	-177.4	-21.4	34.5	0	0	0	111.2	S207 K214 Y216 Y233 E252	P205-S207 PolarHBondContact O-N 2.81Å; P205-K214 HydrophobicContact CB-CG 4.4Å; P205-Y216 HydrophobicContact CB-CE1 4.48Å; P205-Y216 HydrophobicContact CG-CD1 4.4Å; P205-Y216 HydrophobicContact CG-CE1 3.88Å; P205-Y233 PolarHBondContact O-OH 3.32Å; P205-Y233 VanDerWaalsContact O-OH 3.09Å; P205-E252 WeakPolarHBondContact CD-O 3.47Å; P205-E252 HydrophobicContact CG-CB 3.8Å
206	N	96.1	Very high	94.4	Very high	8 Å²	8	49.6 Å²	49.6	4%	0.043	28%	0.281	C	S	.	.			trans	-77.8	104.3	177.2	177.8	2.8	0	0	0	109.8	V204 D208 T209 V215 W217 V267 P268 P269	V204-N206 PolarHBondContact O-N 2.98Å; N206-D208 WeakPolarHBondContact OD1-CA 3.38Å; N206-D208 PolarHBondContact OD1-N 3.47Å; N206-T209 WeakPolarHBondContact O-CG2 3.49Å; N206-V215 HydrophobicContact CB-CG2 4.39Å; N206-V215 PolarHBondContact N-O 2.7Å; N206-W217 HydrophobicContact CB-CB 4.09Å; N206-V267 PolarHBondContact ND2-O 3.39Å; N206-P268 PolarHBondContact ND2-O 2.98Å; N206-P269 WeakPolarHBondContact ND2-CA 3.4Å
207	S	93.6	Very high	94.6	Very high	94 Å²	94	49.2 Å²	49.2	66%	0.657	28%	0.279	S	S	*	.			trans	-78.1	-15	177	55.2	0	0	0	0	114.4	P205 T209 Y233	P205-S207 PolarHBondContact O-N 2.81Å; S207-T209 PolarHBondContact O-N 2.97Å; S207-Y233 PolarHBondContact N-OH 3.31Å; S207-Y233 PolarHBondContact OG-OH 3.27Å
208	D	94	Very high	94.7	Very high	20 Å²	20	45.2 Å²	45.2	11%	0.107	26%	0.26	C	S	.	.	S	Bend	trans	-100.6	58.9	-176.8	-170.8	60.5	0	0	0	110.3	N206 K242 P269 K270 S271	N206-D208 WeakPolarHBondContact OD1-CA 3.38Å; N206-D208 PolarHBondContact OD1-N 3.47Å; D208-K242 IonicContact OD1-NZ 2.78Å; D208-K242 PolarHBondContact OD1-NZ 3.14Å; D208-P269 HydrophobicContact CB-CB 4Å; D208-K270 WeakPolarHBondContact O-CB 3.44Å; D208-K270 PolarHBondContact O-N 3.34Å; D208-K270 PolarHBondContact OD2-N 3.42Å; D208-K270 VanDerWaalsContact OD2-N 3.14Å; D208-S271 VanDerWaalsContact CG-OG 3.27Å; D208-S271 PolarHBondContact OD1-OG 2.9Å; D208-S271 VanDerWaalsContact OD2-CB 3.23Å; D208-S271 WeakPolarHBondContact OD2-CB 3.31Å; D208-S271 PolarHBondContact OD2-N 3.1Å; D208-S271 PolarHBondContact OD2-OG 3.16Å
209	T	92.3	Very high	94.8	Very high	42 Å²	42	40 Å²	40	26%	0.258	24%	0.236	S	C	.	.			trans	-135.2	156	-176	-171.3	0	0	0	0	112.3	N206 S207 L211 V215	N206-T209 WeakPolarHBondContact O-CG2 3.49Å; S207-T209 PolarHBondContact O-N 2.97Å; T209-L211 HydrophobicContact CG2-CB 4.38Å; T209-L211 PolarHBondContact OG1-N 3.26Å; T209-V215 HydrophobicContact CG2-CG2 4.09Å
210	N	90.5	Very high	94.9	Very high	130 Å²	130	41.5 Å²	41.5	70%	0.695	24%	0.236	S	C	*	.	S	Bend	trans	-90.9	-6	168.9	-82.6	11.3	0	0	0	112.4	K270	N210-K270 WeakPolarHBondContact OD1-CD 3.34Å; N210-K270 WeakPolarHBondContact OD1-CE 3.33Å; N210-K270 PolarHBondContact OD1-NZ 2.85Å
211	L	89.5	Confident	94.9	Very high	90 Å²	90	41.5 Å²	41.5	47%	0.471	24%	0.236	S	C	.	.			trans	-76.3	138.3	-175	-62.6	176.2	0	0	0	111.3	T209 T213 V215 V267	T209-L211 HydrophobicContact CG2-CB 4.38Å; T209-L211 PolarHBondContact OG1-N 3.26Å; L211-T213 VanDerWaalsContact C-N 3.28Å; L211-V215 HydrophobicContact CD1-CG1 3.89Å; L211-V215 HydrophobicContact CD1-CG2 4.09Å; L211-V267 HydrophobicContact CD1-CG1 4.19Å; L211-V267 HydrophobicContact CD1-CG2 4.41Å
212	S	85.5	Confident	94.9	Very high	132 Å²	132	42.5 Å²	42.5	92%	0.923	24%	0.243	S	C	*	.	S	Bend	trans	-76.1	-14.8	173.7	53.4	0	0	0	0	113.5
213	T	89.6	Confident	94.7	Very high	91 Å²	91	44.5 Å²	44.5	56%	0.558	25%	0.251	S	S	*	.	S	Bend	trans	-93.3	141.7	177.4	49.9	0	0	0	0	111.4	L211 V215	L211-T213 VanDerWaalsContact C-N 3.28Å; T213-V215 PolarHBondContact O-N 2.78Å
214	K	91.4	Very high	94.6	Very high	113 Å²	113	45.7 Å²	45.7	49%	0.491	26%	0.258	S	S	.	.			trans	-70.6	98.2	178.2	-170.6	167.2	-175.1	162.6	0	110.7	P205 Y216 E252	P205-K214 HydrophobicContact CB-CG 4.4Å; K214-Y216 HydrophobicContact CG-CE2 4.29Å; K214-E252 IonicContact NZ-OE1 2.83Å; K214-E252 PolarHBondContact NZ-OE1 3.09Å
215	V	95.4	Very high	94.6	Very high	11 Å²	11	45.7 Å²	45.7	7%	0.067	26%	0.258	C	S	.	.			trans	-100.2	163.6	174.6	-67.9	0	0	0	0	110.9	N206 T209 L211 T213 V267	N206-V215 HydrophobicContact CB-CG2 4.39Å; N206-V215 PolarHBondContact N-O 2.7Å; T209-V215 HydrophobicContact CG2-CG2 4.09Å; L211-V215 HydrophobicContact CD1-CG1 3.89Å; L211-V215 HydrophobicContact CD1-CG2 4.09Å; T213-V215 PolarHBondContact O-N 2.78Å; V215-V267 HydrophobicContact CB-CB 4.05Å; V215-V267 HydrophobicContact CB-CG2 3.86Å; V215-V267 HydrophobicContact CG1-CG2 3.84Å; V215-V267 HydrophobicContact CG2-CB 4.04Å; V215-V267 HydrophobicContact CG2-CG1 4.43Å; V215-V267 HydrophobicContact CG2-CG2 4.27Å
216	Y	97.6	Very high	94.6	Very high	14 Å²	14	44.2 Å²	44.2	6%	0.055	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	156.4	-171.8	-69.7	-102.4	0	0	0	111.2	V204 P205 K214 E252 H254 W258 C259 K264 L266 V267	V204-Y216 VanDerWaalsContact C-CD1 3.43Å; V204-Y216 CarbonylContact O-C 3.58Å; V204-Y216 VanDerWaalsContact O-CA 3.29Å; V204-Y216 WeakPolarHBondContact O-CA 3.38Å; P205-Y216 HydrophobicContact CB-CE1 4.48Å; P205-Y216 HydrophobicContact CG-CD1 4.4Å; P205-Y216 HydrophobicContact CG-CE1 3.88Å; K214-Y216 HydrophobicContact CG-CE2 4.29Å; Y216-E252 HydrophobicContact CE1-CB 4.35Å; Y216-H254 AromaticContact CE1-CD2 3.68Å; Y216-H254 AromaticContact CE1-NE2 3.92Å; Y216-W258 HydrophobicContact CD1-CZ3 4.5Å; Y216-W258 HydrophobicContact CD2-CZ3 4.42Å; Y216-W258 HydrophobicContact CE1-CZ3 4.2Å; Y216-W258 HydrophobicContact CE2-CZ3 4.11Å; Y216-C259 WeakPolarHBondContact CB-SG 3.4Å; Y216-K264 HydrophobicContact CD2-CD 4.34Å; Y216-K264 HydrophobicContact CE2-CD 4.12Å; Y216-L266 WeakPolarHBondContact O-CA 3.48Å; Y216-V267 PolarHBondContact O-N 3.24Å
217	W	97.9	Very high	94.7	Very high	3 Å²	3	43.8 Å²	43.8	1%	0.011	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	166.8	167.4	-165.7	-115.1	0	0	0	110.3	V204 N206 Y233 E234 L266 V267 P268 P269 W279 L283	V204-W217 PolarHBondContact N-O 2.83Å; V204-W217 PolarHBondContact O-N 3Å; V204-W217 VanDerWaalsContact O-O 3.13Å; N206-W217 HydrophobicContact CB-CB 4.09Å; W217-Y233 HydrophobicContact CB-CD1 4.07Å; W217-Y233 HydrophobicContact CB-CE1 4.27Å; W217-Y233 AromaticContact CD1-CD1 3.81Å; W217-Y233 HydrophobicContact CG-CD1 4.36Å; W217-E234 PolarHBondContact NE1-O 3.02Å; W217-L266 HydrophobicContact CE3-CB 3.89Å; W217-L266 HydrophobicContact CZ3-CB 3.92Å; W217-V267 VanDerWaalsContact CE3-O 3.3Å; W217-P268 HydrophobicContact CE3-CG 4.46Å; W217-P268 HydrophobicContact CH2-CB 4.08Å; W217-P268 HydrophobicContact CH2-CG 3.66Å; W217-P268 HydrophobicContact CZ2-CB 4.27Å; W217-P268 HydrophobicContact CZ2-CG 4.32Å; W217-P268 HydrophobicContact CZ3-CB 4.25Å; W217-P268 HydrophobicContact CZ3-CG 3.74Å; W217-P269 VanDerWaalsContact CD1-CD 3.45Å; W217-P269 HydrophobicContact CG-CG 4.1Å; W217-W279 HydrophobicContact CH2-CB 4.24Å; W217-W279 AromaticContact CH2-CD2 3.9Å; W217-W279 HydrophobicContact CH2-CD2 3.9Å; W217-W279 AromaticContact CH2-CE3 3.75Å; W217-W279 HydrophobicContact CH2-CE3 3.75Å; W217-W279 HydrophobicContact CH2-CG 4.13Å; W217-W279 HydrophobicContact CH2-CZ3 4.42Å; W217-W279 HydrophobicContact CZ2-CD2 4.05Å; W217-W279 AromaticContact CZ2-CE3 3.48Å; W217-W279 HydrophobicContact CZ2-CE3 3.48Å; W217-W279 VanDerWaalsContact CZ2-CE3 3.48Å; W217-W279 HydrophobicContact CZ2-CH2 4.5Å; W217-W279 AromaticContact CZ2-CZ3 3.73Å; W217-W279 HydrophobicContact CZ2-CZ3 3.73Å; W217-L283 HydrophobicContact CH2-CD1 3.82Å; W217-L283 HydrophobicContact CH2-CD2 4.3Å; W217-L283 HydrophobicContact CH2-CG 4.39Å; W217-L283 HydrophobicContact CZ2-CD1 4.41Å; W217-L283 HydrophobicContact CZ2-CD2 4.06Å; W217-L283 HydrophobicContact CZ3-CD1 4.28Å
218	I	98.1	Very high	94.8	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	138.4	177.3	-58.9	177.2	0	0	0	109.3	R201 I202 E203 Y233 E234 V256 L266 L283 L287	R201-I218 HydrophobicContact CB-CG2 4.21Å; I202-I218 CarbonylContact O-C 2.96Å; I202-I218 VanDerWaalsContact O-CA 3.3Å; I202-I218 WeakPolarHBondContact O-CA 3.38Å; E203-I218 HydrophobicContact CG-CG1 3.98Å; I218-Y233 WeakPolarHBondContact O-CA 3.43Å; I218-E234 HydrophobicContact CB-CB 4.39Å; I218-E234 HydrophobicContact CB-CG 4.4Å; I218-E234 HydrophobicContact CG2-CG 3.99Å; I218-E234 PolarHBondContact O-N 3.03Å; I218-V256 HydrophobicContact CD1-CG1 4.09Å; I218-V256 HydrophobicContact CG2-CG2 4.33Å; I218-L266 HydrophobicContact CD1-CD1 3.92Å; I218-L266 HydrophobicContact CG1-CD1 4.09Å; I218-L266 HydrophobicContact CG1-CD2 4.41Å; I218-L283 HydrophobicContact CD1-CD2 4.46Å; I218-L287 HydrophobicContact CD1-CD1 3.6Å; I218-L287 HydrophobicContact CD1-CD2 3.91Å; I218-L287 HydrophobicContact CD1-CG 4.32Å; I218-L287 HydrophobicContact CG2-CD2 4.24Å
219	A	98.2	Very high	95	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	152.4	171.7	0	0	0	0	0	111.4	R201 I202 V204 L231 R232 Y233	R201-A219 WeakPolarHBondContact CA-O 3.41Å; I202-A219 PolarHBondContact N-O 3.11Å; I202-A219 PolarHBondContact O-N 2.87Å; V204-A219 HydrophobicContact CG2-CB 3.71Å; A219-L231 HydrophobicContact CB-CB 4.08Å; A219-R232 CarbonylContact C-O 3.56Å; A219-R232 WeakPolarHBondContact CA-O 3.11Å; A219-R232 WeakPolarHBondContact CB-O 3.38Å; A219-Y233 HydrophobicContact CB-CD1 4.32Å
220	E	97.8	Very high	95.2	Very high	56 Å²	56	38.3 Å²	38.3	26%	0.262	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	140	171.4	-170.6	174.9	133.8	0	0	109.8	R201 I222 L231 R232	R201-E220 IonicContact CZ-OE2 2.73Å; R201-E220 IonicContact NH1-OE2 2.77Å; R201-E220 PolarHBondContact NH1-OE2 2.78Å; R201-E220 IonicContact NH2-OE2 2.76Å; R201-E220 PolarHBondContact NH2-OE2 2.89Å; E220-I222 HydrophobicContact CB-CD1 4.28Å; E220-I222 HydrophobicContact CG-CD1 4.29Å; E220-I222 PolarHBondContact O-N 3.04Å; E220-L231 WeakPolarHBondContact O-CA 3.32Å; E220-R232 PolarHBondContact N-O 3.04Å; E220-R232 PolarHBondContact O-N 3.28Å
221	I	97.8	Very high	95.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	107.5	172.9	-63.9	-178.2	0	0	0	108.9	I196 E198 G199 V200 I202 L224 A229 L231 L248	I196-I221 HydrophobicContact CG2-CD1 4.45Å; E198-I221 CarbonylContact C-O 3.02Å; E198-I221 WeakPolarHBondContact CA-O 3.39Å; E198-I221 HydrophobicContact CG-CG2 4.41Å; G199-I221 PolarHBondContact N-O 3.41Å; V200-I221 HydrophobicContact CB-CD1 4.15Å; V200-I221 HydrophobicContact CG1-CD1 4.36Å; V200-I221 PolarHBondContact O-N 3.19Å; I202-I221 HydrophobicContact CD1-CG1 4.31Å; I221-L224 HydrophobicContact CG2-CD1 4.4Å; I221-L224 HydrophobicContact CG2-CD2 3.68Å; I221-L224 HydrophobicContact CG2-CG 3.73Å; I221-A229 HydrophobicContact CG1-CB 4.45Å; I221-A229 HydrophobicContact CG2-CB 4.22Å; I221-L231 HydrophobicContact CB-CD2 4.45Å; I221-L231 HydrophobicContact CG1-CD2 3.75Å; I221-L248 HydrophobicContact CD1-CD1 3.94Å; I221-L248 HydrophobicContact CD1-CD2 4.07Å
222	I	96.6	Very high	96	Very high	49 Å²	49	29.5 Å²	29.5	25%	0.251	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-32.3	-177.5	-57.3	-55.8	0	0	0	112.6	E220 L230 R232	E220-I222 HydrophobicContact CB-CD1 4.28Å; E220-I222 HydrophobicContact CG-CD1 4.29Å; E220-I222 PolarHBondContact O-N 3.04Å; I222-L230 HydrophobicContact CB-CG 4.43Å; I222-L230 HydrophobicContact CG2-CD2 4.38Å; I222-L230 PolarHBondContact N-O 2.94Å; I222-R232 HydrophobicContact CD1-CB 3.94Å; I222-R232 HydrophobicContact CG1-CB 3.58Å
223	K	95.4	Very high	96.6	Very high	42 Å²	42	23.3 Å²	23.3	18%	0.183	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	140.5	175.7	-172.6	172.5	176.9	178.8	0	111.5	T176 E198 A229 L230 W245	T176-K223 PolarHBondContact O-NZ 3.08Å; E198-K223 VanDerWaalsContact OE1-CA 3.27Å; E198-K223 WeakPolarHBondContact OE1-CA 3.29Å; K223-A229 CarbonylContact O-C 3.49Å; K223-A229 WeakPolarHBondContact O-CA 3.46Å; K223-L230 HydrophobicContact CB-CB 3.97Å; K223-L230 HydrophobicContact CB-CD2 4.33Å; K223-L230 PolarHBondContact N-O 3.41Å; K223-L230 PolarHBondContact O-N 3.49Å; K223-W245 HydrophobicContact CG-CH2 4.42Å
224	L	95.8	Very high	96.9	Very high	29 Å²	29	19.6 Å²	19.6	15%	0.152	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	148.8	173.5	-72.2	171.6	0	0	0	113.5	I196 E198 I221 A229 L248	I196-L224 HydrophobicContact CG2-CD1 4.29Å; I196-L224 HydrophobicContact CG2-CD2 4.35Å; I196-L224 WeakPolarHBondContact O-CD1 3.38Å; E198-L224 HydrophobicContact CG-CD1 4.41Å; E198-L224 HydrophobicContact CG-CG 4.21Å; E198-L224 PolarHBondContact OE1-N 3.43Å; I221-L224 HydrophobicContact CG2-CD1 4.4Å; I221-L224 HydrophobicContact CG2-CD2 3.68Å; I221-L224 HydrophobicContact CG2-CG 3.73Å; L224-A229 HydrophobicContact CD2-CB 3.94Å; L224-L248 HydrophobicContact CD2-CD1 3.94Å
225	A	96.6	Very high	97	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.008	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	96.8	171.1	0	0	0	0	0	110.3	I171 F227 K228 W245 V569	I171-A225 HydrophobicContact CD1-CB 3.63Å; A225-F227 PolarHBondContact O-N 2.89Å; A225-K228 PolarHBondContact N-O 3.43Å; A225-K228 WeakPolarHBondContact O-CB 3.46Å; A225-K228 PolarHBondContact O-N 3.33Å; A225-W245 HydrophobicContact CB-CH2 4.23Å; A225-W245 HydrophobicContact CB-CZ3 4.19Å; A225-V569 HydrophobicContact CB-CG1 4.25Å; A225-V569 WeakPolarHBondContact O-CB 3.36Å; A225-V569 WeakPolarHBondContact O-CG1 3.49Å
226	G	97.1	Very high	97	Very high	2 Å²	2	14 Å²	14	2%	0.021	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-129.2	-170.6	0	0	0	0	0	111.3	A179 V181 W193 K228	A179-G226 WeakPolarHBondContact O-CA 3.28Å; A179-G226 PolarHBondContact O-N 3.24Å; V181-G226 WeakPolarHBondContact CG2-O 3.45Å; W193-G226 WeakPolarHBondContact CZ2-O 3.35Å; G226-K228 VanDerWaalsContact C-N 3.28Å
227	F	97.8	Very high	96.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-12.1	174.4	-61	-69.7	0	0	0	113.7	V181 P188 W193 A225 N247 L248 P568 V569 W571 L574	V181-F227 HydrophobicContact CB-CE1 4.44Å; V181-F227 HydrophobicContact CG1-CD1 4.44Å; V181-F227 HydrophobicContact CG1-CE1 3.68Å; V181-F227 HydrophobicContact CG1-CZ 3.87Å; V181-F227 HydrophobicContact CG2-CD1 3.75Å; V181-F227 HydrophobicContact CG2-CE1 3.81Å; V181-F227 HydrophobicContact CG2-CG 4.12Å; V181-F227 HydrophobicContact CG2-CZ 4.25Å; P188-F227 VanDerWaalsContact O-CE1 3.23Å; P188-F227 WeakPolarHBondContact O-CE1 3.45Å; P188-F227 WeakPolarHBondContact O-CZ 3.39Å; W193-F227 AromaticContact CH2-CD1 3.75Å; W193-F227 HydrophobicContact CH2-CD1 3.75Å; W193-F227 HydrophobicContact CH2-CE1 4.45Å; W193-F227 AromaticContact CZ3-CD1 3.71Å; W193-F227 HydrophobicContact CZ3-CD1 3.71Å; W193-F227 AromaticContact CZ3-CE1 3.97Å; W193-F227 HydrophobicContact CZ3-CE1 3.97Å; A225-F227 PolarHBondContact O-N 2.89Å; F227-N247 WeakPolarHBondContact O-CA 3.45Å; F227-L248 PolarHBondContact O-N 3.01Å; F227-P568 HydrophobicContact CD2-CB 3.9Å; F227-P568 HydrophobicContact CD2-CG 4.18Å; F227-P568 HydrophobicContact CE2-CB 3.78Å; F227-P568 HydrophobicContact CE2-CG 3.53Å; F227-P568 HydrophobicContact CZ-CB 4.47Å; F227-P568 HydrophobicContact CZ-CG 3.92Å; F227-V569 PolarHBondContact N-O 2.81Å; F227-W571 HydrophobicContact CD2-CB 4.23Å; F227-W571 HydrophobicContact CE2-CB 3.93Å; F227-L574 HydrophobicContact CD1-CD2 4.08Å; F227-L574 HydrophobicContact CD2-CD2 4.27Å; F227-L574 HydrophobicContact CE1-CD2 3.95Å; F227-L574 HydrophobicContact CE2-CD2 4.12Å; F227-L574 HydrophobicContact CG-CD2 4.24Å; F227-L574 HydrophobicContact CZ-CD2 3.97Å
228	K	96.9	Very high	96.4	Very high	18 Å²	18	23 Å²	23	8%	0.078	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	136.3	178.8	-66.5	-80.4	-159.9	168.3	0	110.7	A225 G226 W245 C246 V569	A225-K228 PolarHBondContact N-O 3.43Å; A225-K228 WeakPolarHBondContact O-CB 3.46Å; A225-K228 PolarHBondContact O-N 3.33Å; G226-K228 VanDerWaalsContact C-N 3.28Å; K228-W245 HydrophobicContact CB-CE3 3.78Å; K228-W245 HydrophobicContact CB-CZ3 3.88Å; K228-C246 CarbonylContact C-O 3.55Å; K228-C246 VanDerWaalsContact CA-O 3.29Å; K228-C246 WeakPolarHBondContact CA-O 3.28Å; K228-V569 HydrophobicContact CB-CG1 4.27Å; K228-V569 HydrophobicContact CG-CG1 3.84Å
229	A	97.1	Very high	96.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.3	170.6	0	0	0	0	0	110.4	I221 K223 L224 L231 W245 C246 L248	I221-A229 HydrophobicContact CG1-CB 4.45Å; I221-A229 HydrophobicContact CG2-CB 4.22Å; K223-A229 CarbonylContact O-C 3.49Å; K223-A229 WeakPolarHBondContact O-CA 3.46Å; L224-A229 HydrophobicContact CD2-CB 3.94Å; A229-L231 HydrophobicContact CB-CD2 3.74Å; A229-L231 HydrophobicContact CB-CG 4.43Å; A229-W245 WeakPolarHBondContact O-CA 3.44Å; A229-C246 PolarHBondContact N-O 2.87Å; A229-C246 PolarHBondContact O-N 2.95Å; A229-L248 HydrophobicContact CB-CD1 3.97Å; A229-L248 HydrophobicContact CB-CD2 3.66Å; A229-L248 HydrophobicContact CB-CG 3.73Å
230	L	97.4	Very high	96.1	Very high	22 Å²	22	30.4 Å²	30.4	12%	0.115	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	120.3	164.8	-177.8	61.8	0	0	0	107.8	I222 K223 D243 W245	I222-L230 HydrophobicContact CB-CG 4.43Å; I222-L230 HydrophobicContact CG2-CD2 4.38Å; I222-L230 PolarHBondContact N-O 2.94Å; K223-L230 HydrophobicContact CB-CB 3.97Å; K223-L230 HydrophobicContact CB-CD2 4.33Å; K223-L230 PolarHBondContact N-O 3.41Å; K223-L230 PolarHBondContact O-N 3.49Å; L230-D243 HydrophobicContact CD1-CB 3.91Å; L230-D243 HydrophobicContact CG-CB 4.39Å; L230-W245 HydrophobicContact CB-CD2 4.05Å; L230-W245 HydrophobicContact CB-CE3 4.1Å; L230-W245 HydrophobicContact CB-CH2 4.08Å; L230-W245 HydrophobicContact CB-CZ2 4.01Å; L230-W245 HydrophobicContact CB-CZ3 4.11Å; L230-W245 HydrophobicContact CD1-CD2 4.22Å; L230-W245 HydrophobicContact CD1-CG 4.17Å; L230-W245 VanDerWaalsContact N-CE3 3.34Å
231	L	97.9	Very high	95.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	137.4	-174.3	-57	-173.2	0	0	0	111	I202 V204 A219 E220 I221 A229 D243 F244 C246	I202-L231 HydrophobicContact CD1-CD1 3.83Å; I202-L231 HydrophobicContact CD1-CD2 3.74Å; I202-L231 HydrophobicContact CD1-CG 4.47Å; V204-L231 HydrophobicContact CG1-CD1 3.97Å; V204-L231 HydrophobicContact CG2-CD1 4.37Å; A219-L231 HydrophobicContact CB-CB 4.08Å; E220-L231 WeakPolarHBondContact O-CA 3.32Å; I221-L231 HydrophobicContact CB-CD2 4.45Å; I221-L231 HydrophobicContact CG1-CD2 3.75Å; A229-L231 HydrophobicContact CB-CD2 3.74Å; A229-L231 HydrophobicContact CB-CG 4.43Å; L231-D243 VanDerWaalsContact O-CA 3.32Å; L231-D243 WeakPolarHBondContact O-CA 3.43Å; L231-F244 HydrophobicContact CB-CD1 4.31Å; L231-F244 HydrophobicContact CB-CE1 3.95Å; L231-F244 HydrophobicContact CB-CE2 4.25Å; L231-F244 HydrophobicContact CB-CZ 3.93Å; L231-F244 HydrophobicContact CD1-CE2 3.89Å; L231-F244 HydrophobicContact CD1-CZ 3.95Å; L231-F244 PolarHBondContact N-O 3Å; L231-F244 PolarHBondContact O-N 2.84Å; L231-C246 HydrophobicContact CD1-CB 3.5Å; L231-C246 HydrophobicContact CG-CB 4.07Å
232	R	98	Very high	95.7	Very high	35 Å²	35	35.7 Å²	35.7	13%	0.132	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.6	167.3	-176.5	173.9	-57.1	144.1	17.8	110	A219 E220 I222 F236 D237 D239 D243	A219-R232 CarbonylContact C-O 3.56Å; A219-R232 WeakPolarHBondContact CA-O 3.11Å; A219-R232 WeakPolarHBondContact CB-O 3.38Å; E220-R232 PolarHBondContact N-O 3.04Å; E220-R232 PolarHBondContact O-N 3.28Å; I222-R232 HydrophobicContact CD1-CB 3.94Å; I222-R232 HydrophobicContact CG1-CB 3.58Å; R232-F236 HydrophobicContact CG-CB 3.86Å; R232-D237 VanDerWaalsContact CD-O 3.25Å; R232-D237 WeakPolarHBondContact CD-O 3.46Å; R232-D237 PolarHBondContact NH1-O 3.34Å; R232-D239 PolarHBondContact NE-O 3.23Å; R232-D243 VanDerWaalsContact CB-OD1 3.3Å; R232-D243 WeakPolarHBondContact CB-OD1 3.32Å; R232-D243 VanDerWaalsContact CG-OD1 3.25Å; R232-D243 WeakPolarHBondContact CG-OD1 3.48Å; R232-D243 IonicContact CZ-OD1 3.48Å; R232-D243 IonicContact CZ-OD2 3.56Å; R232-D243 IonicContact NE-OD1 3.38Å; R232-D243 PolarHBondContact NE-OD1 2.92Å; R232-D243 IonicContact NE-OD2 3.68Å; R232-D243 PolarHBondContact NE-OD2 3.41Å; R232-D243 IonicContact NH2-OD1 2.72Å; R232-D243 IonicContact NH2-OD2 3.67Å; R232-D243 PolarHBondContact NH2-OD2 2.99Å
233	Y	97.7	Very high	95.7	Very high	3 Å²	3	35.1 Å²	35.1	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	139	174.8	-69.5	-60.9	0	0	0	111.8	V204 P205 S207 W217 I218 A219 G235 F236 F244 P269	V204-Y233 HydrophobicContact CG2-CE1 4.17Å; P205-Y233 PolarHBondContact O-OH 3.32Å; P205-Y233 VanDerWaalsContact O-OH 3.09Å; S207-Y233 PolarHBondContact N-OH 3.31Å; S207-Y233 PolarHBondContact OG-OH 3.27Å; W217-Y233 HydrophobicContact CB-CD1 4.07Å; W217-Y233 HydrophobicContact CB-CE1 4.27Å; W217-Y233 AromaticContact CD1-CD1 3.81Å; W217-Y233 HydrophobicContact CG-CD1 4.36Å; I218-Y233 WeakPolarHBondContact O-CA 3.43Å; A219-Y233 HydrophobicContact CB-CD1 4.32Å; Y233-G235 PolarHBondContact O-N 3.39Å; Y233-F236 HydrophobicContact CD2-CE2 4.11Å; Y233-F236 HydrophobicContact CG-CE2 4.47Å; Y233-F236 PolarHBondContact O-N 3.22Å; Y233-F244 HydrophobicContact CD1-CE1 4.16Å; Y233-F244 HydrophobicContact CD2-CE1 4Å; Y233-F244 AromaticContact CE1-CE1 3.73Å; Y233-F244 HydrophobicContact CE1-CE1 3.73Å; Y233-F244 AromaticContact CE1-CZ 3.87Å; Y233-F244 HydrophobicContact CE1-CZ 3.87Å; Y233-F244 HydrophobicContact CE2-CD1 4.08Å; Y233-F244 AromaticContact CE2-CE1 3.54Å; Y233-F244 HydrophobicContact CE2-CE1 3.54Å; Y233-F244 HydrophobicContact CE2-CZ 4.33Å; Y233-F244 HydrophobicContact CG-CE1 4.29Å; Y233-F244 AromaticContact CZ-CE1 3.39Å; Y233-F244 AromaticContact CZ-CZ 3.72Å; Y233-P269 HydrophobicContact CD1-CG 4.18Å; Y233-P269 HydrophobicContact CD2-CB 4.39Å; Y233-P269 HydrophobicContact CD2-CG 3.87Å; Y233-P269 HydrophobicContact CE2-CG 4.44Å; Y233-P269 HydrophobicContact CG-CG 3.72Å
234	E	96.6	Very high	95.8	Very high	13 Å²	13	35.5 Å²	35.5	6%	0.061	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	134.2	175.8	-94.6	-70.8	-169.9	0	0	111.5	R201 W217 I218 I272 L283 R286	R201-E234 IonicContact CZ-OE1 2.68Å; R201-E234 IonicContact NE-OE1 2.63Å; R201-E234 PolarHBondContact NE-OE1 2.95Å; R201-E234 IonicContact NH2-OE1 3.14Å; R201-E234 PolarHBondContact NH2-OE1 3.05Å; W217-E234 PolarHBondContact NE1-O 3.02Å; I218-E234 HydrophobicContact CB-CB 4.39Å; I218-E234 HydrophobicContact CB-CG 4.4Å; I218-E234 HydrophobicContact CG2-CG 3.99Å; I218-E234 PolarHBondContact O-N 3.03Å; E234-I272 VanDerWaalsContact O-CD1 3.22Å; E234-I272 WeakPolarHBondContact O-CD1 3.47Å; E234-L283 HydrophobicContact CB-CD2 4.45Å; E234-R286 WeakPolarHBondContact OE1-CB 3.47Å; E234-R286 WeakPolarHBondContact OE1-CD 3.37Å; E234-R286 WeakPolarHBondContact OE2-CD 3.39Å; E234-R286 IonicContact OE2-NE 2.72Å
235	G	94.3	Very high	95.8	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.01	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	88	5.9	-172.8	0	0	0	0	0	116.3	Y233 K275	Y233-G235 PolarHBondContact O-N 3.39Å; G235-K275 WeakPolarHBondContact O-CD 3.14Å; G235-K275 WeakPolarHBondContact O-CE 3.46Å; G235-K275 PolarHBondContact O-NZ 2.9Å
236	F	94.9	Very high	95.7	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.018	20%	0.196	C	C	.	.			trans	-84.5	-22.7	161.3	-82.8	-94	0	0	0	113.1	R232 Y233 N238 D239 K242 P269 I272	R232-F236 HydrophobicContact CG-CB 3.86Å; Y233-F236 HydrophobicContact CD2-CE2 4.11Å; Y233-F236 HydrophobicContact CG-CE2 4.47Å; Y233-F236 PolarHBondContact O-N 3.22Å; F236-N238 PolarHBondContact O-N 2.9Å; F236-N238 VanDerWaalsContact O-N 3.15Å; F236-D239 HydrophobicContact CB-CB 4.39Å; F236-D239 HydrophobicContact CD1-CB 4.11Å; F236-D239 WeakPolarHBondContact O-CB 3.29Å; F236-D239 PolarHBondContact O-N 3Å; F236-D239 VanDerWaalsContact O-N 3.07Å; F236-K242 HydrophobicContact CD1-CB 4.22Å; F236-K242 HydrophobicContact CD1-CG 4.47Å; F236-K242 HydrophobicContact CE1-CB 3.61Å; F236-K242 HydrophobicContact CE1-CG 3.49Å; F236-K242 VanDerWaalsContact CE1-CG 3.49Å; F236-K242 HydrophobicContact CE2-CB 4.28Å; F236-K242 HydrophobicContact CZ-CB 3.62Å; F236-K242 HydrophobicContact CZ-CG 3.57Å; F236-P269 HydrophobicContact CE2-CB 3.97Å; F236-P269 HydrophobicContact CE2-CG 4.13Å; F236-P269 HydrophobicContact CZ-CB 4.43Å; F236-I272 HydrophobicContact CD1-CG2 3.94Å; F236-I272 HydrophobicContact CD2-CD1 3.63Å; F236-I272 HydrophobicContact CD2-CG1 4.36Å; F236-I272 HydrophobicContact CD2-CG2 3.92Å; F236-I272 HydrophobicContact CE1-CG2 3.7Å; F236-I272 HydrophobicContact CE2-CB 4.45Å; F236-I272 HydrophobicContact CE2-CD1 3.65Å; F236-I272 HydrophobicContact CE2-CG1 3.94Å; F236-I272 HydrophobicContact CE2-CG2 3.71Å; F236-I272 HydrophobicContact CG-CG2 4.05Å; F236-I272 HydrophobicContact CZ-CG1 4.45Å; F236-I272 HydrophobicContact CZ-CG2 3.6Å
237	D	90.1	Very high	95.7	Very high	58 Å²	58	37.1 Å²	37.1	31%	0.31	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	-108.9	180	-45.9	-73	0	0	0	111.5	R232 K275 R286	R232-D237 VanDerWaalsContact CD-O 3.25Å; R232-D237 WeakPolarHBondContact CD-O 3.46Å; R232-D237 PolarHBondContact NH1-O 3.34Å; D237-K275 IonicContact OD2-NZ 2.63Å; D237-K275 PolarHBondContact OD2-NZ 3.15Å; D237-R286 IonicContact OD1-CZ 3.31Å; D237-R286 IonicContact OD1-NH2 3.85Å; D237-R286 PolarHBondContact OD1-NH2 2.88Å
238	N	92.4	Very high	95.7	Very high	149 Å²	149	37.1 Å²	37.1	80%	0.797	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-4.3	178.6	-67.2	-14.4	0	0	0	113.7	F236 T240	F236-N238 PolarHBondContact O-N 2.9Å; F236-N238 VanDerWaalsContact O-N 3.15Å; N238-T240 PolarHBondContact O-N 3.42Å
239	D	94.4	Very high	95.6	Very high	67 Å²	67	36.7 Å²	36.7	36%	0.358	20%	0.195	S	C	.	.			trans	-75.7	113.6	179.7	178.6	7	0	0	0	110.8	R232 F236 S241	R232-D239 PolarHBondContact NE-O 3.23Å; F236-D239 HydrophobicContact CB-CB 4.39Å; F236-D239 HydrophobicContact CD1-CB 4.11Å; F236-D239 WeakPolarHBondContact O-CB 3.29Å; F236-D239 PolarHBondContact O-N 3Å; F236-D239 VanDerWaalsContact O-N 3.07Å; D239-S241 VanDerWaalsContact CG-OG 3.26Å; D239-S241 WeakPolarHBondContact OD1-CB 3.22Å; D239-S241 PolarHBondContact OD1-N 2.91Å; D239-S241 PolarHBondContact OD1-OG 3.22Å; D239-S241 PolarHBondContact OD2-OG 2.79Å
240	T	94.7	Very high	95.4	Very high	90 Å²	90	39.1 Å²	39.1	55%	0.552	21%	0.207	S	C	*	.			trans	-91.6	1.6	-179	80.3	0	0	0	0	113.3	N238 K242 D243	N238-T240 PolarHBondContact O-N 3.42Å; T240-K242 PolarHBondContact O-N 2.75Å; T240-K242 VanDerWaalsContact O-N 3.12Å; T240-D243 WeakPolarHBondContact CB-OD2 3.31Å; T240-D243 PolarHBondContact O-N 3.45Å
241	S	93.9	Very high	95.1	Very high	85 Å²	85	42.7 Å²	42.7	59%	0.594	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.2	-170.7	66.3	0	0	0	0	114.7	D239	D239-S241 VanDerWaalsContact CG-OG 3.26Å; D239-S241 WeakPolarHBondContact OD1-CB 3.22Å; D239-S241 PolarHBondContact OD1-N 2.91Å; D239-S241 PolarHBondContact OD1-OG 3.22Å; D239-S241 PolarHBondContact OD2-OG 2.79Å
242	K	94.6	Very high	94.9	Very high	81 Å²	81	45.5 Å²	45.5	35%	0.352	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	14	179	-68.1	-80.1	-175.9	160.2	0	112.6	D208 F236 T240 S271	D208-K242 IonicContact OD1-NZ 2.78Å; D208-K242 PolarHBondContact OD1-NZ 3.14Å; F236-K242 HydrophobicContact CD1-CB 4.22Å; F236-K242 HydrophobicContact CD1-CG 4.47Å; F236-K242 HydrophobicContact CE1-CB 3.61Å; F236-K242 HydrophobicContact CE1-CG 3.49Å; F236-K242 VanDerWaalsContact CE1-CG 3.49Å; F236-K242 HydrophobicContact CE2-CB 4.28Å; F236-K242 HydrophobicContact CZ-CB 3.62Å; F236-K242 HydrophobicContact CZ-CG 3.57Å; T240-K242 PolarHBondContact O-N 2.75Å; T240-K242 VanDerWaalsContact O-N 3.12Å; K242-S271 VanDerWaalsContact CE-OG 3.29Å; K242-S271 WeakPolarHBondContact CE-OG 3.37Å; K242-S271 PolarHBondContact NZ-OG 1.97Å
243	D	96.3	Very high	94.8	Very high	37 Å²	37	43.8 Å²	43.8	20%	0.198	24%	0.238	C	C	.	.			trans	-64.7	137.2	172.6	-69	1.8	0	0	0	109.9	L230 L231 R232 T240	L230-D243 HydrophobicContact CD1-CB 3.91Å; L230-D243 HydrophobicContact CG-CB 4.39Å; L231-D243 VanDerWaalsContact O-CA 3.32Å; L231-D243 WeakPolarHBondContact O-CA 3.43Å; R232-D243 VanDerWaalsContact CB-OD1 3.3Å; R232-D243 WeakPolarHBondContact CB-OD1 3.32Å; R232-D243 VanDerWaalsContact CG-OD1 3.25Å; R232-D243 WeakPolarHBondContact CG-OD1 3.48Å; R232-D243 IonicContact CZ-OD1 3.48Å; R232-D243 IonicContact CZ-OD2 3.56Å; R232-D243 IonicContact NE-OD1 3.38Å; R232-D243 PolarHBondContact NE-OD1 2.92Å; R232-D243 IonicContact NE-OD2 3.68Å; R232-D243 PolarHBondContact NE-OD2 3.41Å; R232-D243 IonicContact NH2-OD1 2.72Å; R232-D243 IonicContact NH2-OD2 3.67Å; R232-D243 PolarHBondContact NH2-OD2 2.99Å; T240-D243 WeakPolarHBondContact CB-OD2 3.31Å; T240-D243 PolarHBondContact O-N 3.45Å
244	F	96.4	Very high	94.8	Very high	51 Å²	51	44.1 Å²	44.1	22%	0.224	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	145.1	-175.3	66.8	-79.9	0	0	0	112.7	V204 L231 Y233 C246	V204-F244 HydrophobicContact CG2-CZ 4.05Å; L231-F244 HydrophobicContact CB-CD1 4.31Å; L231-F244 HydrophobicContact CB-CE1 3.95Å; L231-F244 HydrophobicContact CB-CE2 4.25Å; L231-F244 HydrophobicContact CB-CZ 3.93Å; L231-F244 HydrophobicContact CD1-CE2 3.89Å; L231-F244 HydrophobicContact CD1-CZ 3.95Å; L231-F244 PolarHBondContact N-O 3Å; L231-F244 PolarHBondContact O-N 2.84Å; Y233-F244 HydrophobicContact CD1-CE1 4.16Å; Y233-F244 HydrophobicContact CD2-CE1 4Å; Y233-F244 AromaticContact CE1-CE1 3.73Å; Y233-F244 HydrophobicContact CE1-CE1 3.73Å; Y233-F244 AromaticContact CE1-CZ 3.87Å; Y233-F244 HydrophobicContact CE1-CZ 3.87Å; Y233-F244 HydrophobicContact CE2-CD1 4.08Å; Y233-F244 AromaticContact CE2-CE1 3.54Å; Y233-F244 HydrophobicContact CE2-CE1 3.54Å; Y233-F244 HydrophobicContact CE2-CZ 4.33Å; Y233-F244 HydrophobicContact CG-CE1 4.29Å; Y233-F244 AromaticContact CZ-CE1 3.39Å; Y233-F244 AromaticContact CZ-CZ 3.72Å; F244-C246 HydrophobicContact CE2-CB 4.4Å
245	W	96.1	Very high	94.8	Very high	48 Å²	48	43.7 Å²	43.7	18%	0.182	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	124.9	176.6	-76.3	97.1	0	0	0	111.3	G168 I171 C172 K223 A225 K228 A229 L230	G168-W245 VanDerWaalsContact CA-CG 3.46Å; G168-W245 VanDerWaalsContact CA-NE1 3.27Å; G168-W245 PolarHBondContact O-NE1 2.83Å; G168-W245 VanDerWaalsContact O-NE1 3.09Å; I171-W245 HydrophobicContact CB-CZ2 4.29Å; I171-W245 HydrophobicContact CG2-CH2 3.96Å; I171-W245 HydrophobicContact CG2-CZ2 3.87Å; C172-W245 PolarHBondContact SG-NE1 2.89Å; K223-W245 HydrophobicContact CG-CH2 4.42Å; A225-W245 HydrophobicContact CB-CH2 4.23Å; A225-W245 HydrophobicContact CB-CZ3 4.19Å; K228-W245 HydrophobicContact CB-CE3 3.78Å; K228-W245 HydrophobicContact CB-CZ3 3.88Å; A229-W245 WeakPolarHBondContact O-CA 3.44Å; L230-W245 HydrophobicContact CB-CD2 4.05Å; L230-W245 HydrophobicContact CB-CE3 4.1Å; L230-W245 HydrophobicContact CB-CH2 4.08Å; L230-W245 HydrophobicContact CB-CZ2 4.01Å; L230-W245 HydrophobicContact CB-CZ3 4.11Å; L230-W245 HydrophobicContact CD1-CD2 4.22Å; L230-W245 HydrophobicContact CD1-CG 4.17Å; L230-W245 VanDerWaalsContact N-CE3 3.34Å
246	C	95.9	Very high	94.9	Very high	16 Å²	16	45.3 Å²	45.3	11%	0.108	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	162.2	173.4	-162.3	0	0	0	0	110.4	K228 A229 L231 F244	K228-C246 CarbonylContact C-O 3.55Å; K228-C246 VanDerWaalsContact CA-O 3.29Å; K228-C246 WeakPolarHBondContact CA-O 3.28Å; A229-C246 PolarHBondContact N-O 2.87Å; A229-C246 PolarHBondContact O-N 2.95Å; L231-C246 HydrophobicContact CD1-CB 3.5Å; L231-C246 HydrophobicContact CG-CB 4.07Å; F244-C246 HydrophobicContact CE2-CB 4.4Å
247	N	96.6	Very high	94.9	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.011	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	124.5	162.5	-179.5	-44.6	0	0	0	107	F227 C249 I250 G570	F227-N247 WeakPolarHBondContact O-CA 3.45Å; N247-C249 VanDerWaalsContact C-N 3.26Å; N247-C249 PolarHBondContact O-N 3.21Å; N247-C249 PolarHBondContact OD1-N 2.88Å; N247-I250 HydrophobicContact CB-CG2 4.09Å; N247-I250 WeakPolarHBondContact O-CG1 3.39Å; N247-G570 PolarHBondContact ND2-O 2.66Å; N247-G570 VanDerWaalsContact ND2-O 3.14Å
248	L	96.9	Very high	95.2	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-21.6	-172.2	-66.8	178.4	0	0	0	113.7	W193 I196 I202 I221 L224 F227 A229 I250 V253 F297	W193-L248 HydrophobicContact CH2-CB 4.24Å; W193-L248 HydrophobicContact CH2-CD1 4.2Å; W193-L248 HydrophobicContact CZ2-CD1 4.01Å; I196-L248 HydrophobicContact CG2-CD1 3.64Å; I202-L248 HydrophobicContact CD1-CD2 3.8Å; I221-L248 HydrophobicContact CD1-CD1 3.94Å; I221-L248 HydrophobicContact CD1-CD2 4.07Å; L224-L248 HydrophobicContact CD2-CD1 3.94Å; F227-L248 PolarHBondContact O-N 3.01Å; A229-L248 HydrophobicContact CB-CD1 3.97Å; A229-L248 HydrophobicContact CB-CD2 3.66Å; A229-L248 HydrophobicContact CB-CG 3.73Å; L248-I250 VanDerWaalsContact C-N 3.31Å; L248-I250 PolarHBondContact O-N 2.94Å; L248-V253 HydrophobicContact CD2-CG1 4.27Å; L248-V253 WeakPolarHBondContact O-CB 3.38Å; L248-F297 HydrophobicContact CB-CZ 4.5Å; L248-F297 WeakPolarHBondContact O-CE1 3.29Å
249	C	96	Very high	95.4	Very high	8 Å²	8	39.9 Å²	39.9	5%	0.054	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	19.1	-175.4	-67.4	0	0	0	0	113.9	N247 V301 L574	N247-C249 VanDerWaalsContact C-N 3.26Å; N247-C249 PolarHBondContact O-N 3.21Å; N247-C249 PolarHBondContact OD1-N 2.88Å; C249-V301 HydrophobicContact CB-CG1 3.89Å; C249-V301 HydrophobicContact CB-CG2 4.27Å; C249-L574 HydrophobicContact CB-CD1 3.49Å; C249-L574 VanDerWaalsContact CB-CD1 3.49Å; C249-L574 HydrophobicContact CB-CD2 3.76Å; C249-L574 HydrophobicContact CB-CG 4.26Å; C249-L574 WeakPolarHBondContact O-CD1 3.5Å
250	I	92.7	Very high	95.4	Very high	51 Å²	51	40.3 Å²	40.3	26%	0.262	24%	0.235	S	C	.	.	S	Bend	trans	-85.6	154.4	174.5	69.8	-178.5	0	0	0	111.8	N247 L248 E252 V253	N247-I250 HydrophobicContact CB-CG2 4.09Å; N247-I250 WeakPolarHBondContact O-CG1 3.39Å; L248-I250 VanDerWaalsContact C-N 3.31Å; L248-I250 PolarHBondContact O-N 2.94Å; I250-E252 PolarHBondContact O-N 3.28Å; I250-V253 HydrophobicContact CD1-CG2 4.15Å; I250-V253 HydrophobicContact CG1-CB 4.4Å; I250-V253 HydrophobicContact CG1-CG2 3.69Å; I250-V253 PolarHBondContact O-N 3.28Å
251	P	91.4	Very high	95.4	Very high	97 Å²	97	40.2 Å²	40.2	63%	0.63	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-17.3	-176.3	-26.9	36.4	0	0	0	116.4	H254	P251-H254 PolarHBondContact O-CE1 3.44Å
252	E	93.3	Very high	95.3	Very high	59 Å²	59	38.1 Å²	38.1	28%	0.276	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	12.8	-174.9	-43.7	103.5	111.2	0	0	114.5	P205 K214 Y216 I250	P205-E252 WeakPolarHBondContact CD-O 3.47Å; P205-E252 HydrophobicContact CG-CB 3.8Å; K214-E252 IonicContact NZ-OE1 2.83Å; K214-E252 PolarHBondContact NZ-OE1 3.09Å; Y216-E252 HydrophobicContact CE1-CB 4.35Å; I250-E252 PolarHBondContact O-N 3.28Å
253	V	96	Very high	95.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.246	C	C	.	.			trans	-95.6	125.3	166.5	169.5	0	0	0	0	108.2	I202 V204 L248 I250 L293	I202-V253 HydrophobicContact CD1-CG1 4.12Å; V204-V253 HydrophobicContact CG1-CG2 4.05Å; L248-V253 HydrophobicContact CD2-CG1 4.27Å; L248-V253 WeakPolarHBondContact O-CB 3.38Å; I250-V253 HydrophobicContact CD1-CG2 4.15Å; I250-V253 HydrophobicContact CG1-CB 4.4Å; I250-V253 HydrophobicContact CG1-CG2 3.69Å; I250-V253 PolarHBondContact O-N 3.28Å; V253-L293 HydrophobicContact CG1-CD1 3.69Å
254	H	96.6	Very high	95.2	Very high	9 Å²	9	44.1 Å²	44.1	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	154	-170	-58.2	-57.3	0	0	0	112.9	E203 Y216 P251 W258	E203-H254 HydrophobicContact CB-CB 4.17Å; E203-H254 PolarHBondContact N-O 3.45Å; E203-H254 PolarHBondContact O-N 3.5Å; Y216-H254 AromaticContact CE1-CD2 3.68Å; Y216-H254 AromaticContact CE1-NE2 3.92Å; P251-H254 PolarHBondContact O-CE1 3.44Å; H254-W258 HydrophobicContact CB-CB 3.75Å; H254-W258 HydrophobicContact CB-CD2 3.92Å; H254-W258 HydrophobicContact CB-CE3 4.05Å; H254-W258 HydrophobicContact CB-CG 3.79Å; H254-W258 AromaticContact CD2-CD2 3.6Å; H254-W258 AromaticContact CD2-CE3 3.24Å; H254-W258 AromaticContact CD2-CH2 3.77Å; H254-W258 AromaticContact CD2-CZ3 3.33Å; H254-W258 WeakPolarHBondContact CD2-CZ3 3.33Å; H254-W258 AromaticContact CE1-CE2 3.71Å; H254-W258 AromaticContact CE1-CH2 3.94Å; H254-W258 AromaticContact CE1-CZ2 3.68Å; H254-W258 AromaticContact CG-CD2 3.51Å; H254-W258 AromaticContact CG-CE2 3.98Å; H254-W258 AromaticContact CG-CE3 3.61Å; H254-W258 AromaticContact CG-CG 3.83Å; H254-W258 AromaticContact ND1-CD2 3.81Å; H254-W258 AromaticContact ND1-CE2 3.8Å; H254-W258 AromaticContact NE2-CD2 3.95Å; H254-W258 AromaticContact NE2-CE2 3.84Å; H254-W258 AromaticContact NE2-CE3 3.75Å; H254-W258 AromaticContact NE2-CH2 3.34Å; H254-W258 VanDerWaalsContact NE2-CH2 3.34Å; H254-W258 WeakPolarHBondContact NE2-CH2 3.14Å; H254-W258 AromaticContact NE2-CZ2 3.58Å; H254-W258 AromaticContact NE2-CZ3 3.44Å; H254-W258 WeakPolarHBondContact NE2-CZ3 3.28Å
255	P	97.1	Very high	95	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	152.8	167.9	31.5	-36.8	0	0	0	111.3	G257 W258 T292 L293 M295	P255-G257 PolarHBondContact O-N 2.9Å; P255-W258 HydrophobicContact CG-CB 4.46Å; P255-W258 WeakPolarHBondContact O-CB 3.49Å; P255-W258 PolarHBondContact O-N 3.19Å; P255-T292 WeakPolarHBondContact CA-OG1 3.41Å; P255-T292 WeakPolarHBondContact CB-OG1 3.46Å; P255-L293 HydrophobicContact CB-CB 4.25Å; P255-L293 WeakPolarHBondContact CB-O 3.34Å; P255-M295 HydrophobicContact CB-SD 3.88Å; P255-M295 HydrophobicContact CG-CE 4.17Å; P255-M295 HydrophobicContact CG-SD 3.78Å
256	V	96.9	Very high	95	Very high	36 Å²	36	46.1 Å²	46.1	22%	0.218	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	129.9	175.8	177.6	0	0	0	0	110.3	R201 I218 L287 T292	R201-V256 HydrophobicContact CB-CG2 4.07Å; I218-V256 HydrophobicContact CD1-CG1 4.09Å; I218-V256 HydrophobicContact CG2-CG2 4.33Å; V256-L287 HydrophobicContact CG1-CD1 4.11Å; V256-L287 HydrophobicContact CG1-CD2 4.18Å; V256-L287 HydrophobicContact CG2-CD2 4.47Å; V256-T292 PolarHBondContact N-OG1 3.04Å
257	G	95	Very high	95	Very high	32 Å²	32	47 Å²	47	33%	0.33	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	104	-13.7	-174.2	0	0	0	0	0	114.2	E203 P255 C259 A260 S261	E203-G257 PolarHBondContact OE1-N 3.47Å; P255-G257 PolarHBondContact O-N 2.9Å; G257-C259 PolarHBondContact O-N 3.16Å; G257-A260 PolarHBondContact O-N 3.44Å; G257-S261 PolarHBondContact O-N 3.26Å; G257-S261 VanDerWaalsContact O-N 3.08Å; G257-S261 PolarHBondContact O-OG 2.99Å
258	W	96.8	Very high	95	Very high	64 Å²	64	48 Å²	48	24%	0.242	29%	0.288	C	S	.	.	H	α-helix	trans	-62.9	-39	179.3	176.4	87.1	0	0	0	113.1	E203 Y216 H254 P255 A260 S261 S262 K264	E203-W258 PolarHBondContact OE2-N 3.13Å; Y216-W258 HydrophobicContact CD1-CZ3 4.5Å; Y216-W258 HydrophobicContact CD2-CZ3 4.42Å; Y216-W258 HydrophobicContact CE1-CZ3 4.2Å; Y216-W258 HydrophobicContact CE2-CZ3 4.11Å; H254-W258 HydrophobicContact CB-CB 3.75Å; H254-W258 HydrophobicContact CB-CD2 3.92Å; H254-W258 HydrophobicContact CB-CE3 4.05Å; H254-W258 HydrophobicContact CB-CG 3.79Å; H254-W258 AromaticContact CD2-CD2 3.6Å; H254-W258 AromaticContact CD2-CE3 3.24Å; H254-W258 AromaticContact CD2-CH2 3.77Å; H254-W258 AromaticContact CD2-CZ3 3.33Å; H254-W258 WeakPolarHBondContact CD2-CZ3 3.33Å; H254-W258 AromaticContact CE1-CE2 3.71Å; H254-W258 AromaticContact CE1-CH2 3.94Å; H254-W258 AromaticContact CE1-CZ2 3.68Å; H254-W258 AromaticContact CG-CD2 3.51Å; H254-W258 AromaticContact CG-CE2 3.98Å; H254-W258 AromaticContact CG-CE3 3.61Å; H254-W258 AromaticContact CG-CG 3.83Å; H254-W258 AromaticContact ND1-CD2 3.81Å; H254-W258 AromaticContact ND1-CE2 3.8Å; H254-W258 AromaticContact NE2-CD2 3.95Å; H254-W258 AromaticContact NE2-CE2 3.84Å; H254-W258 AromaticContact NE2-CE3 3.75Å; H254-W258 AromaticContact NE2-CH2 3.34Å; H254-W258 VanDerWaalsContact NE2-CH2 3.34Å; H254-W258 WeakPolarHBondContact NE2-CH2 3.14Å; H254-W258 AromaticContact NE2-CZ2 3.58Å; H254-W258 AromaticContact NE2-CZ3 3.44Å; H254-W258 WeakPolarHBondContact NE2-CZ3 3.28Å; P255-W258 HydrophobicContact CG-CB 4.46Å; P255-W258 WeakPolarHBondContact O-CB 3.49Å; P255-W258 PolarHBondContact O-N 3.19Å; W258-A260 VanDerWaalsContact C-N 3.31Å; W258-A260 PolarHBondContact O-N 3.38Å; W258-S261 PolarHBondContact O-N 3.1Å; W258-S261 PolarHBondContact O-OG 3.05Å; W258-S261 VanDerWaalsContact O-OG 3.04Å; W258-S262 VanDerWaalsContact CE2-OG 3.24Å; W258-S262 PolarHBondContact NE1-OG 3.04Å; W258-S262 WeakPolarHBondContact O-CB 3.48Å; W258-S262 PolarHBondContact O-N 3.37Å; W258-S262 PolarHBondContact O-OG 3.36Å; W258-K264 HydrophobicContact CH2-CD 3.71Å; W258-K264 HydrophobicContact CZ3-CD 3.64Å
259	C	95.6	Very high	95	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.6	-40.8	175.9	-77.2	0	0	0	0	111.2	E203 Y216 G257 S262 N263 K264 L266	E203-C259 WeakPolarHBondContact OE2-CB 3.37Å; E203-C259 PolarHBondContact OE2-N 3.07Å; E203-C259 PolarHBondContact OE2-SG 3.35Å; Y216-C259 WeakPolarHBondContact CB-SG 3.4Å; G257-C259 PolarHBondContact O-N 3.16Å; C259-S262 CarbonylContact O-C 3.59Å; C259-S262 PolarHBondContact O-N 2.67Å; C259-N263 PolarHBondContact O-N 3.39Å; C259-N263 VanDerWaalsContact O-N 3.15Å; C259-K264 CarbonylContact C-O 3.58Å; C259-K264 HydrophobicContact CB-CB 4.11Å; C259-K264 WeakPolarHBondContact CB-O 3.25Å; C259-K264 PolarHBondContact O-N 3.06Å; C259-K264 VanDerWaalsContact O-O 3.13Å; C259-L266 HydrophobicContact CB-CD2 3.96Å; C259-L266 HydrophobicContact CB-CG 4.25Å
260	A	93.7	Very high	94.9	Very high	77 Å²	77	52.1 Å²	52.1	64%	0.636	31%	0.305	S	S	*	.	H	α-helix	trans	-65	-45.2	177.7	0	0	0	0	0	112	G257 W258 S262 N263	G257-A260 PolarHBondContact O-N 3.44Å; W258-A260 VanDerWaalsContact C-N 3.31Å; W258-A260 PolarHBondContact O-N 3.38Å; A260-S262 VanDerWaalsContact C-N 3.28Å; A260-S262 PolarHBondContact O-N 3.3Å; A260-N263 PolarHBondContact O-N 3.35Å
261	S	94.8	Very high	95.1	Very high	87 Å²	87	52 Å²	52	61%	0.608	31%	0.308	S	S	*	.	H	α-helix	trans	-69.3	-26.1	175.8	62.6	0	0	0	0	113.2	G257 W258	G257-S261 PolarHBondContact O-N 3.26Å; G257-S261 VanDerWaalsContact O-N 3.08Å; G257-S261 PolarHBondContact O-OG 2.99Å; W258-S261 PolarHBondContact O-N 3.1Å; W258-S261 PolarHBondContact O-OG 3.05Å; W258-S261 VanDerWaalsContact O-OG 3.04Å
262	S	93.3	Very high	95.3	Very high	41 Å²	41	47.5 Å²	47.5	29%	0.287	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	10	179.2	-55	0	0	0	0	114.4	W258 C259 A260 K264	W258-S262 VanDerWaalsContact CE2-OG 3.24Å; W258-S262 PolarHBondContact NE1-OG 3.04Å; W258-S262 WeakPolarHBondContact O-CB 3.48Å; W258-S262 PolarHBondContact O-N 3.37Å; W258-S262 PolarHBondContact O-OG 3.36Å; C259-S262 CarbonylContact O-C 3.59Å; C259-S262 PolarHBondContact O-N 2.67Å; A260-S262 VanDerWaalsContact C-N 3.28Å; A260-S262 PolarHBondContact O-N 3.3Å; S262-K264 VanDerWaalsContact C-N 3.27Å; S262-K264 PolarHBondContact O-N 2.87Å
263	N	93.5	Very high	95.3	Very high	156 Å²	156	49.8 Å²	49.8	83%	0.834	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	38.3	-176	-66.1	-61	0	0	0	114.2	C259 A260	C259-N263 PolarHBondContact O-N 3.39Å; C259-N263 VanDerWaalsContact O-N 3.15Å; A260-N263 PolarHBondContact O-N 3.35Å
264	K	93.8	Very high	95.3	Very high	89 Å²	89	56.8 Å²	56.8	39%	0.387	32%	0.322	S	S	.	.			trans	-109	133.3	175.9	-67.8	177.7	-173.6	-59	0	110.5	Y216 W258 C259 S262	Y216-K264 HydrophobicContact CD2-CD 4.34Å; Y216-K264 HydrophobicContact CE2-CD 4.12Å; W258-K264 HydrophobicContact CH2-CD 3.71Å; W258-K264 HydrophobicContact CZ3-CD 3.64Å; C259-K264 CarbonylContact C-O 3.58Å; C259-K264 HydrophobicContact CB-CB 4.11Å; C259-K264 WeakPolarHBondContact CB-O 3.25Å; C259-K264 PolarHBondContact O-N 3.06Å; C259-K264 VanDerWaalsContact O-O 3.13Å; S262-K264 VanDerWaalsContact C-N 3.27Å; S262-K264 PolarHBondContact O-N 2.87Å
265	P	92.6	Very high	95.1	Very high	86 Å²	86	60.4 Å²	60.4	56%	0.558	34%	0.337	S	S	*	.			trans	-75.7	137.6	174.6	30.8	-33.5	0	0	0	111.1	V267	P265-V267 HydrophobicContact CB-CG2 4.37Å; P265-V267 HydrophobicContact CG-CG2 4.35Å
266	L	96	Very high	95	Very high	55 Å²	55	63.8 Å²	63.8	29%	0.288	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-74.5	125	160.6	-66.4	174.8	0	0	0	108.6	E203 Y216 W217 I218 C259	E203-L266 HydrophobicContact CG-CD2 4.06Å; Y216-L266 WeakPolarHBondContact O-CA 3.48Å; W217-L266 HydrophobicContact CE3-CB 3.89Å; W217-L266 HydrophobicContact CZ3-CB 3.92Å; I218-L266 HydrophobicContact CD1-CD1 3.92Å; I218-L266 HydrophobicContact CG1-CD1 4.09Å; I218-L266 HydrophobicContact CG1-CD2 4.41Å; C259-L266 HydrophobicContact CB-CD2 3.96Å; C259-L266 HydrophobicContact CB-CG 4.25Å
267	V	96.1	Very high	94.7	Very high	33 Å²	33	68.6 Å²	68.6	20%	0.2	39%	0.385	C	S	.	.			trans	-119	121.7	-177.4	178.6	0	0	0	0	109.3	N206 L211 V215 Y216 W217 P265	N206-V267 PolarHBondContact ND2-O 3.39Å; L211-V267 HydrophobicContact CD1-CG1 4.19Å; L211-V267 HydrophobicContact CD1-CG2 4.41Å; V215-V267 HydrophobicContact CB-CB 4.05Å; V215-V267 HydrophobicContact CB-CG2 3.86Å; V215-V267 HydrophobicContact CG1-CG2 3.84Å; V215-V267 HydrophobicContact CG2-CB 4.04Å; V215-V267 HydrophobicContact CG2-CG1 4.43Å; V215-V267 HydrophobicContact CG2-CG2 4.27Å; Y216-V267 PolarHBondContact O-N 3.24Å; W217-V267 VanDerWaalsContact CE3-O 3.3Å; P265-V267 HydrophobicContact CB-CG2 4.37Å; P265-V267 HydrophobicContact CG-CG2 4.35Å
268	P	96.3	Very high	94.6	Very high	25 Å²	25	71.6 Å²	71.6	16%	0.162	39%	0.394	C	S	.	.			trans	-58.3	144.9	-180	-23.5	31.2	0	0	0	113	N206 W217 K270 Q273 W279	N206-P268 PolarHBondContact ND2-O 2.98Å; W217-P268 HydrophobicContact CE3-CG 4.46Å; W217-P268 HydrophobicContact CH2-CB 4.08Å; W217-P268 HydrophobicContact CH2-CG 3.66Å; W217-P268 HydrophobicContact CZ2-CB 4.27Å; W217-P268 HydrophobicContact CZ2-CG 4.32Å; W217-P268 HydrophobicContact CZ3-CB 4.25Å; W217-P268 HydrophobicContact CZ3-CG 3.74Å; P268-K270 PolarHBondContact O-N 3.23Å; P268-Q273 HydrophobicContact CB-CB 4.09Å; P268-W279 HydrophobicContact CB-CD2 4.41Å; P268-W279 HydrophobicContact CB-CZ2 4Å; P268-W279 HydrophobicContact CG-CD2 4.01Å; P268-W279 HydrophobicContact CG-CG 3.97Å; P268-W279 HydrophobicContact CG-CZ2 4.38Å
269	P	96.7	Very high	94.5	Very high	0 Å²	0	70 Å²	70	0%	0	39%	0.388	C	S	.	.			trans	-57	130.9	168.5	-23.2	32.7	0	0	0	110.7	N206 D208 W217 Y233 F236 S271 I272 Q273	N206-P269 WeakPolarHBondContact ND2-CA 3.4Å; D208-P269 HydrophobicContact CB-CB 4Å; W217-P269 VanDerWaalsContact CD1-CD 3.45Å; W217-P269 HydrophobicContact CG-CG 4.1Å; Y233-P269 HydrophobicContact CD1-CG 4.18Å; Y233-P269 HydrophobicContact CD2-CB 4.39Å; Y233-P269 HydrophobicContact CD2-CG 3.87Å; Y233-P269 HydrophobicContact CE2-CG 4.44Å; Y233-P269 HydrophobicContact CG-CG 3.72Å; F236-P269 HydrophobicContact CE2-CB 3.97Å; F236-P269 HydrophobicContact CE2-CG 4.13Å; F236-P269 HydrophobicContact CZ-CB 4.43Å; P269-S271 PolarHBondContact O-N 3.35Å; P269-S271 VanDerWaalsContact O-N 3.09Å; P269-I272 HydrophobicContact CB-CD1 4.42Å; P269-I272 HydrophobicContact CB-CG1 4Å; P269-I272 HydrophobicContact CG-CD1 4.13Å; P269-I272 HydrophobicContact CG-CG1 4.2Å; P269-I272 CarbonylContact O-C 3.59Å; P269-I272 WeakPolarHBondContact O-CG1 3.43Å; P269-I272 PolarHBondContact O-N 3.45Å; P269-Q273 PolarHBondContact O-N 3.19Å
270	K	95.7	Very high	94.4	Very high	94 Å²	94	77.3 Å²	77.3	41%	0.409	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-34.9	-175.9	177.7	-174.3	172.6	-170.8	0	112.9	D208 N210 P268 I272 Q273	D208-K270 WeakPolarHBondContact O-CB 3.44Å; D208-K270 PolarHBondContact O-N 3.34Å; D208-K270 PolarHBondContact OD2-N 3.42Å; D208-K270 VanDerWaalsContact OD2-N 3.14Å; N210-K270 WeakPolarHBondContact OD1-CD 3.34Å; N210-K270 WeakPolarHBondContact OD1-CE 3.33Å; N210-K270 PolarHBondContact OD1-NZ 2.85Å; P268-K270 PolarHBondContact O-N 3.23Å; K270-I272 VanDerWaalsContact C-N 3.28Å; K270-I272 PolarHBondContact O-N 3.41Å; K270-Q273 WeakPolarHBondContact O-CG 3.48Å
271	S	95.8	Very high	94.4	Very high	48 Å²	48	77.3 Å²	77.3	34%	0.336	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-28.3	178.4	-52	0	0	0	0	113	D208 K242 P269 H274	D208-S271 VanDerWaalsContact CG-OG 3.27Å; D208-S271 PolarHBondContact OD1-OG 2.9Å; D208-S271 VanDerWaalsContact OD2-CB 3.23Å; D208-S271 WeakPolarHBondContact OD2-CB 3.31Å; D208-S271 PolarHBondContact OD2-N 3.1Å; D208-S271 PolarHBondContact OD2-OG 3.16Å; K242-S271 VanDerWaalsContact CE-OG 3.29Å; K242-S271 WeakPolarHBondContact CE-OG 3.37Å; K242-S271 PolarHBondContact NZ-OG 1.97Å; P269-S271 PolarHBondContact O-N 3.35Å; P269-S271 VanDerWaalsContact O-N 3.09Å; S271-H274 PolarHBondContact O-CE1 3.48Å
272	I	95.7	Very high	94.3	Very high	3 Å²	3	75.3 Å²	75.3	2%	0.015	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-9	-179.8	63	173.6	0	0	0	114.3	E234 F236 P269 K270 H274 K275 W279	E234-I272 VanDerWaalsContact O-CD1 3.22Å; E234-I272 WeakPolarHBondContact O-CD1 3.47Å; F236-I272 HydrophobicContact CD1-CG2 3.94Å; F236-I272 HydrophobicContact CD2-CD1 3.63Å; F236-I272 HydrophobicContact CD2-CG1 4.36Å; F236-I272 HydrophobicContact CD2-CG2 3.92Å; F236-I272 HydrophobicContact CE1-CG2 3.7Å; F236-I272 HydrophobicContact CE2-CB 4.45Å; F236-I272 HydrophobicContact CE2-CD1 3.65Å; F236-I272 HydrophobicContact CE2-CG1 3.94Å; F236-I272 HydrophobicContact CE2-CG2 3.71Å; F236-I272 HydrophobicContact CG-CG2 4.05Å; F236-I272 HydrophobicContact CZ-CG1 4.45Å; F236-I272 HydrophobicContact CZ-CG2 3.6Å; P269-I272 HydrophobicContact CB-CD1 4.42Å; P269-I272 HydrophobicContact CB-CG1 4Å; P269-I272 HydrophobicContact CG-CD1 4.13Å; P269-I272 HydrophobicContact CG-CG1 4.2Å; P269-I272 CarbonylContact O-C 3.59Å; P269-I272 WeakPolarHBondContact O-CG1 3.43Å; P269-I272 PolarHBondContact O-N 3.45Å; K270-I272 VanDerWaalsContact C-N 3.28Å; K270-I272 PolarHBondContact O-N 3.41Å; I272-H274 PolarHBondContact O-N 2.98Å; I272-K275 HydrophobicContact CB-CD 4.07Å; I272-K275 HydrophobicContact CB-CG 4.27Å; I272-K275 HydrophobicContact CG2-CD 4.15Å; I272-K275 VanDerWaalsContact O-CB 3.32Å; I272-K275 WeakPolarHBondContact O-CB 3.17Å; I272-K275 PolarHBondContact O-N 3.26Å; I272-W279 HydrophobicContact CB-CH2 4.32Å; I272-W279 HydrophobicContact CD1-CH2 3.73Å; I272-W279 HydrophobicContact CD1-CZ3 4.33Å; I272-W279 HydrophobicContact CG1-CH2 3.9Å; I272-W279 HydrophobicContact CG1-CZ2 4.36Å; I272-W279 WeakPolarHBondContact O-CZ2 3.43Å
273	Q	94.1	Very high	94.4	Very high	106 Å²	106	74.5 Å²	74.5	50%	0.495	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-28.6	-173.5	75.3	-173.3	3.5	0	0	114.6	P268 P269 K270 W279	P268-Q273 HydrophobicContact CB-CB 4.09Å; P269-Q273 PolarHBondContact O-N 3.19Å; K270-Q273 WeakPolarHBondContact O-CG 3.48Å; Q273-W279 PolarHBondContact O-NE1 3.13Å
274	H	94.5	Very high	94.5	Very high	147 Å²	147	70.8 Å²	70.8	68%	0.681	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-11.6	-178.8	67.7	-90.8	0	0	0	114.5	S271 I272 Y276	S271-H274 PolarHBondContact O-CE1 3.48Å; I272-H274 PolarHBondContact O-N 2.98Å; H274-Y276 VanDerWaalsContact C-N 3.25Å; H274-Y276 PolarHBondContact O-N 2.79Å
275	K	94.3	Very high	94.5	Very high	85 Å²	85	75.2 Å²	75.2	37%	0.37	39%	0.389	S	S	.	.	S	Bend	trans	-61.2	-32.4	179.2	-76	-169.4	175.1	-176.8	0	112.6	G235 D237 I272	G235-K275 WeakPolarHBondContact O-CD 3.14Å; G235-K275 WeakPolarHBondContact O-CE 3.46Å; G235-K275 PolarHBondContact O-NZ 2.9Å; D237-K275 IonicContact OD2-NZ 2.63Å; D237-K275 PolarHBondContact OD2-NZ 3.15Å; I272-K275 HydrophobicContact CB-CD 4.07Å; I272-K275 HydrophobicContact CB-CG 4.27Å; I272-K275 HydrophobicContact CG2-CD 4.15Å; I272-K275 VanDerWaalsContact O-CB 3.32Å; I272-K275 WeakPolarHBondContact O-CB 3.17Å; I272-K275 PolarHBondContact O-N 3.26Å
276	Y	93.3	Very high	94.5	Very high	75 Å²	75	76 Å²	76	29%	0.294	38%	0.381	S	S	.	.			trans	-138.4	130	-176.8	-54	-72.3	0	0	0	111.2	H274 N278 W279 I282	H274-Y276 VanDerWaalsContact C-N 3.25Å; H274-Y276 PolarHBondContact O-N 2.79Å; Y276-N278 VanDerWaalsContact C-N 3.31Å; Y276-W279 HydrophobicContact CD2-CD2 4.22Å; Y276-W279 AromaticContact CD2-CE3 3.96Å; Y276-W279 HydrophobicContact CD2-CE3 3.96Å; Y276-W279 AromaticContact CD2-CH2 3.56Å; Y276-W279 HydrophobicContact CD2-CH2 3.56Å; Y276-W279 AromaticContact CD2-CZ2 3.8Å; Y276-W279 HydrophobicContact CD2-CZ2 3.8Å; Y276-W279 AromaticContact CD2-CZ3 3.64Å; Y276-W279 HydrophobicContact CD2-CZ3 3.64Å; Y276-W279 HydrophobicContact CE2-CH2 4.06Å; Y276-W279 HydrophobicContact CE2-CZ3 4.04Å; Y276-W279 PolarHBondContact O-NE1 3.03Å; Y276-I282 HydrophobicContact CD1-CD1 3.77Å; Y276-I282 HydrophobicContact CD1-CG1 3.77Å; Y276-I282 HydrophobicContact CD2-CG1 4.08Å; Y276-I282 HydrophobicContact CD2-CG2 4.42Å; Y276-I282 HydrophobicContact CE1-CD1 3.7Å; Y276-I282 HydrophobicContact CE1-CG1 4.04Å; Y276-I282 HydrophobicContact CE2-CG1 4.33Å; Y276-I282 HydrophobicContact CE2-CG2 4.08Å; Y276-I282 HydrophobicContact CG-CD1 4.32Å; Y276-I282 HydrophobicContact CG-CG1 3.8Å
277	S	91.3	Very high	94.5	Very high	137 Å²	137	75.5 Å²	75.5	96%	0.958	38%	0.379	S	S	*	.	S	Bend	trans	-71.5	-24.8	174.4	53.8	0	0	0	0	113.2
278	N	92.9	Very high	94.4	Very high	95 Å²	95	79.4 Å²	79.4	51%	0.508	40%	0.403	S	S	.	.			trans	-138.1	114.3	173.9	-176.3	-6.8	0	0	0	109.7	Y276 K280 P281	Y276-N278 VanDerWaalsContact C-N 3.31Å; N278-K280 WeakPolarHBondContact OD1-CB 3.08Å; N278-K280 PolarHBondContact OD1-N 3.17Å; N278-P281 WeakPolarHBondContact OD1-CD 3.45Å
279	W	94.6	Very high	94.2	Very high	30 Å²	30	82.2 Å²	82.2	11%	0.114	44%	0.437	C	S	.	.			trans	-79.5	-19.1	-178.5	-73.5	84	0	0	0	113.7	W217 P268 I272 Q273 Y276 I282 L283	W217-W279 HydrophobicContact CH2-CB 4.24Å; W217-W279 AromaticContact CH2-CD2 3.9Å; W217-W279 HydrophobicContact CH2-CD2 3.9Å; W217-W279 AromaticContact CH2-CE3 3.75Å; W217-W279 HydrophobicContact CH2-CE3 3.75Å; W217-W279 HydrophobicContact CH2-CG 4.13Å; W217-W279 HydrophobicContact CH2-CZ3 4.42Å; W217-W279 HydrophobicContact CZ2-CD2 4.05Å; W217-W279 AromaticContact CZ2-CE3 3.48Å; W217-W279 HydrophobicContact CZ2-CE3 3.48Å; W217-W279 VanDerWaalsContact CZ2-CE3 3.48Å; W217-W279 HydrophobicContact CZ2-CH2 4.5Å; W217-W279 AromaticContact CZ2-CZ3 3.73Å; W217-W279 HydrophobicContact CZ2-CZ3 3.73Å; P268-W279 HydrophobicContact CB-CD2 4.41Å; P268-W279 HydrophobicContact CB-CZ2 4Å; P268-W279 HydrophobicContact CG-CD2 4.01Å; P268-W279 HydrophobicContact CG-CG 3.97Å; P268-W279 HydrophobicContact CG-CZ2 4.38Å; I272-W279 HydrophobicContact CB-CH2 4.32Å; I272-W279 HydrophobicContact CD1-CH2 3.73Å; I272-W279 HydrophobicContact CD1-CZ3 4.33Å; I272-W279 HydrophobicContact CG1-CH2 3.9Å; I272-W279 HydrophobicContact CG1-CZ2 4.36Å; I272-W279 WeakPolarHBondContact O-CZ2 3.43Å; Q273-W279 PolarHBondContact O-NE1 3.13Å; Y276-W279 HydrophobicContact CD2-CD2 4.22Å; Y276-W279 AromaticContact CD2-CE3 3.96Å; Y276-W279 HydrophobicContact CD2-CE3 3.96Å; Y276-W279 AromaticContact CD2-CH2 3.56Å; Y276-W279 HydrophobicContact CD2-CH2 3.56Å; Y276-W279 AromaticContact CD2-CZ2 3.8Å; Y276-W279 HydrophobicContact CD2-CZ2 3.8Å; Y276-W279 AromaticContact CD2-CZ3 3.64Å; Y276-W279 HydrophobicContact CD2-CZ3 3.64Å; Y276-W279 HydrophobicContact CE2-CH2 4.06Å; Y276-W279 HydrophobicContact CE2-CZ3 4.04Å; Y276-W279 PolarHBondContact O-NE1 3.03Å; W279-I282 PolarHBondContact O-N 2.85Å; W279-L283 WeakPolarHBondContact O-CG 3.43Å; W279-L283 PolarHBondContact O-N 3.22Å
280	K	93.3	Very high	94.2	Very high	155 Å²	155	83.9 Å²	83.9	67%	0.674	45%	0.45	S	S	*	.	H	α-helix	trans	-59.2	-47.5	-174.4	-177.4	178.5	178.8	178.3	0	113.1	N278 I282 V284	N278-K280 WeakPolarHBondContact OD1-CB 3.08Å; N278-K280 PolarHBondContact OD1-N 3.17Å; K280-I282 VanDerWaalsContact C-N 3.32Å; K280-I282 PolarHBondContact O-N 2.97Å; K280-V284 HydrophobicContact CG-CG2 4.46Å; K280-V284 WeakPolarHBondContact O-CB 3.38Å; K280-V284 VanDerWaalsContact O-CG2 3.26Å; K280-V284 WeakPolarHBondContact O-CG2 3.49Å; K280-V284 PolarHBondContact O-N 2.89Å
281	P	94.3	Very high	94.2	Very high	77 Å²	77	84.9 Å²	84.9	50%	0.5	45%	0.454	S	S	.	.	H	α-helix	trans	-65.4	-34.1	177.6	-21.2	34.4	0	0	0	113.3	N278 K285	N278-P281 WeakPolarHBondContact OD1-CD 3.45Å; P281-K285 WeakPolarHBondContact O-CB 3.47Å; P281-K285 PolarHBondContact O-N 2.79Å
282	I	93.5	Very high	94.3	Very high	45 Å²	45	85 Å²	85	23%	0.231	45%	0.454	C	S	.	.	H	α-helix	trans	-68.4	-49.3	179.5	-52.6	-58	0	0	0	110.2	Y276 W279 K280 K285 R286	Y276-I282 HydrophobicContact CD1-CD1 3.77Å; Y276-I282 HydrophobicContact CD1-CG1 3.77Å; Y276-I282 HydrophobicContact CD2-CG1 4.08Å; Y276-I282 HydrophobicContact CD2-CG2 4.42Å; Y276-I282 HydrophobicContact CE1-CD1 3.7Å; Y276-I282 HydrophobicContact CE1-CG1 4.04Å; Y276-I282 HydrophobicContact CE2-CG1 4.33Å; Y276-I282 HydrophobicContact CE2-CG2 4.08Å; Y276-I282 HydrophobicContact CG-CD1 4.32Å; Y276-I282 HydrophobicContact CG-CG1 3.8Å; W279-I282 PolarHBondContact O-N 2.85Å; K280-I282 VanDerWaalsContact C-N 3.32Å; K280-I282 PolarHBondContact O-N 2.97Å; I282-K285 PolarHBondContact O-N 2.9Å; I282-R286 WeakPolarHBondContact O-CB 3.42Å; I282-R286 WeakPolarHBondContact O-CG 3.2Å; I282-R286 PolarHBondContact O-N 3.28Å
283	L	94.9	Very high	94.3	Very high	23 Å²	23	85 Å²	85	12%	0.12	45%	0.453	C	S	.	.	H	α-helix	trans	-63.5	-44.2	176.3	-67.7	-178.9	0	0	0	111.4	W217 I218 E234 W279 K285 R286 L287	W217-L283 HydrophobicContact CH2-CD1 3.82Å; W217-L283 HydrophobicContact CH2-CD2 4.3Å; W217-L283 HydrophobicContact CH2-CG 4.39Å; W217-L283 HydrophobicContact CZ2-CD1 4.41Å; W217-L283 HydrophobicContact CZ2-CD2 4.06Å; W217-L283 HydrophobicContact CZ3-CD1 4.28Å; I218-L283 HydrophobicContact CD1-CD2 4.46Å; E234-L283 HydrophobicContact CB-CD2 4.45Å; W279-L283 WeakPolarHBondContact O-CG 3.43Å; W279-L283 PolarHBondContact O-N 3.22Å; L283-K285 VanDerWaalsContact C-N 3.33Å; L283-K285 PolarHBondContact O-N 3.31Å; L283-R286 PolarHBondContact O-N 2.93Å; L283-R286 VanDerWaalsContact O-N 3.13Å; L283-L287 HydrophobicContact CB-CD1 4.1Å; L283-L287 VanDerWaalsContact O-CB 3.24Å; L283-L287 WeakPolarHBondContact O-CB 3.36Å; L283-L287 WeakPolarHBondContact O-CG 3.38Å; L283-L287 PolarHBondContact O-N 3.48Å
284	V	94.7	Very high	94.3	Very high	79 Å²	79	81.4 Å²	81.4	48%	0.479	44%	0.439	S	S	.	.	H	α-helix	trans	-55	-49	174	168.2	0	0	0	0	110.8	K280 R286 L287 T288	K280-V284 HydrophobicContact CG-CG2 4.46Å; K280-V284 WeakPolarHBondContact O-CB 3.38Å; K280-V284 VanDerWaalsContact O-CG2 3.26Å; K280-V284 WeakPolarHBondContact O-CG2 3.49Å; K280-V284 PolarHBondContact O-N 2.89Å; V284-R286 VanDerWaalsContact C-N 3.32Å; V284-R286 PolarHBondContact O-N 2.94Å; V284-L287 PolarHBondContact O-N 2.75Å; V284-T288 WeakPolarHBondContact O-CB 3.37Å; V284-T288 PolarHBondContact O-N 3.48Å; V284-T288 PolarHBondContact O-OG1 3.27Å
285	K	94	Very high	94.2	Very high	181 Å²	181	81.1 Å²	81.1	79%	0.787	44%	0.44	S	S	*	.	H	α-helix	trans	-62.1	-34	178.1	-176	178.4	177	-176.8	0	113.7	P281 I282 L283	P281-K285 WeakPolarHBondContact O-CB 3.47Å; P281-K285 PolarHBondContact O-N 2.79Å; I282-K285 PolarHBondContact O-N 2.9Å; L283-K285 VanDerWaalsContact C-N 3.33Å; L283-K285 PolarHBondContact O-N 3.31Å
286	R	92.6	Very high	94.2	Very high	102 Å²	102	80.5 Å²	80.5	39%	0.385	44%	0.441	S	S	.	.	H	α-helix	trans	-81.3	-28.5	179.6	-73.9	-71.4	-170.3	-168.6	3.2	113.5	R201 E234 D237 I282 L283 V284	R201-R286 PolarHBondContact NE-O 3.31Å; E234-R286 WeakPolarHBondContact OE1-CB 3.47Å; E234-R286 WeakPolarHBondContact OE1-CD 3.37Å; E234-R286 WeakPolarHBondContact OE2-CD 3.39Å; E234-R286 IonicContact OE2-NE 2.72Å; D237-R286 IonicContact OD1-CZ 3.31Å; D237-R286 IonicContact OD1-NH2 3.85Å; D237-R286 PolarHBondContact OD1-NH2 2.88Å; I282-R286 WeakPolarHBondContact O-CB 3.42Å; I282-R286 WeakPolarHBondContact O-CG 3.2Å; I282-R286 PolarHBondContact O-N 3.28Å; L283-R286 PolarHBondContact O-N 2.93Å; L283-R286 VanDerWaalsContact O-N 3.13Å; V284-R286 VanDerWaalsContact C-N 3.32Å; V284-R286 PolarHBondContact O-N 2.94Å
287	L	95.2	Very high	94.2	Very high	46 Å²	46	77.2 Å²	77.2	24%	0.241	43%	0.428	C	S	.	.	H	α-helix	trans	-98.8	-26.3	-172.5	-61.4	174.3	0	0	0	114	I218 V256 L283 V284 G289 A290	I218-L287 HydrophobicContact CD1-CD1 3.6Å; I218-L287 HydrophobicContact CD1-CD2 3.91Å; I218-L287 HydrophobicContact CD1-CG 4.32Å; I218-L287 HydrophobicContact CG2-CD2 4.24Å; V256-L287 HydrophobicContact CG1-CD1 4.11Å; V256-L287 HydrophobicContact CG1-CD2 4.18Å; V256-L287 HydrophobicContact CG2-CD2 4.47Å; L283-L287 HydrophobicContact CB-CD1 4.1Å; L283-L287 VanDerWaalsContact O-CB 3.24Å; L283-L287 WeakPolarHBondContact O-CB 3.36Å; L283-L287 WeakPolarHBondContact O-CG 3.38Å; L283-L287 PolarHBondContact O-N 3.48Å; V284-L287 PolarHBondContact O-N 2.75Å; L287-G289 PolarHBondContact O-N 2.91Å; L287-A290 WeakPolarHBondContact O-CB 3.44Å; L287-A290 PolarHBondContact O-N 2.76Å
288	T	94.6	Very high	94.3	Very high	114 Å²	114	72.7 Å²	72.7	70%	0.699	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	113.2	177.5	-66.6	0	0	0	0	110.6	V284	V284-T288 WeakPolarHBondContact O-CB 3.37Å; V284-T288 PolarHBondContact O-N 3.48Å; V284-T288 PolarHBondContact O-OG1 3.27Å
289	G	93.1	Very high	94.3	Very high	85 Å²	85	69.7 Å²	69.7	88%	0.876	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	2.6	-177.9	0	0	0	0	0	115.2	L287	L287-G289 PolarHBondContact O-N 2.91Å
290	A	94.9	Very high	94.3	Very high	34 Å²	34	71 Å²	71	28%	0.281	39%	0.389	S	S	.	.			trans	-77.7	144.7	176.6	0	0	0	0	0	112.2	R201 L287	R201-A290 HydrophobicContact CG-CB 4.44Å; L287-A290 WeakPolarHBondContact O-CB 3.44Å; L287-A290 PolarHBondContact O-N 2.76Å
291	K	96.6	Very high	94.4	Very high	115 Å²	115	64.3 Å²	64.3	50%	0.5	36%	0.362	S	S	.	.			trans	-71.8	145.6	168.5	-69.6	-177.2	177.7	178.8	0	110.9	E197 V200 R201	E197-K291 HydrophobicContact CG-CD 4.46Å; E197-K291 VanDerWaalsContact OE1-CD 3.28Å; E197-K291 WeakPolarHBondContact OE1-CD 3.29Å; E197-K291 WeakPolarHBondContact OE1-CE 3.43Å; E197-K291 IonicContact OE1-NZ 3.56Å; E197-K291 PolarHBondContact OE1-NZ 3.13Å; E197-K291 IonicContact OE2-NZ 3.52Å; E197-K291 PolarHBondContact OE2-NZ 3.01Å; V200-K291 HydrophobicContact CG2-CB 4Å; R201-K291 PolarHBondContact N-O 2.99Å
292	T	97.3	Very high	94.4	Very high	52 Å²	52	68.5 Å²	68.5	32%	0.319	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-132.7	163	172.1	170.4	0	0	0	0	108.9	R201 P255 V256	R201-T292 WeakPolarHBondContact O-CA 3.33Å; R201-T292 PolarHBondContact O-OG1 3.07Å; P255-T292 WeakPolarHBondContact CA-OG1 3.41Å; P255-T292 WeakPolarHBondContact CB-OG1 3.46Å; V256-T292 PolarHBondContact N-OG1 3.04Å
293	L	95.7	Very high	94.4	Very high	2 Å²	2	71.7 Å²	71.7	1%	0.01	38%	0.382	C	S	.	.			trans	-52.8	149.3	168.4	-72.6	169.5	0	0	0	111.6	I196 I202 V253 P255 F297	I196-L293 HydrophobicContact CD1-CD2 3.82Å; I196-L293 HydrophobicContact CG1-CD2 3.87Å; I202-L293 HydrophobicContact CB-CD1 4.45Å; I202-L293 HydrophobicContact CG2-CD1 3.48Å; I202-L293 VanDerWaalsContact CG2-CD1 3.48Å; I202-L293 HydrophobicContact CG2-CG 3.59Å; V253-L293 HydrophobicContact CG1-CD1 3.69Å; P255-L293 HydrophobicContact CB-CB 4.25Å; P255-L293 WeakPolarHBondContact CB-O 3.34Å; L293-F297 HydrophobicContact CB-CB 4.41Å; L293-F297 HydrophobicContact CD1-CD1 3.8Å; L293-F297 HydrophobicContact CD1-CE1 3.95Å; L293-F297 HydrophobicContact CD1-CG 4.43Å; L293-F297 HydrophobicContact CD2-CD1 4.25Å; L293-F297 HydrophobicContact CD2-CD2 4.21Å; L293-F297 HydrophobicContact CD2-CE1 4.33Å; L293-F297 HydrophobicContact CD2-CE2 4.32Å; L293-F297 HydrophobicContact CD2-CG 4.18Å; L293-F297 HydrophobicContact CD2-CZ 4.37Å; L293-F297 HydrophobicContact CG-CD1 4.45Å
294	P	94.1	Very high	94.4	Very high	31 Å²	31	73 Å²	73	20%	0.201	39%	0.388	C	S	.	.			trans	-55.8	143.6	169.4	-26.6	35.4	0	0	0	112.6	D195 D296 F297	D195-P294 HydrophobicContact CB-CG 3.82Å; D195-P294 WeakPolarHBondContact OD2-CG 3.32Å; P294-D296 WeakPolarHBondContact CB-OD1 3.41Å; P294-D296 PolarHBondContact O-N 2.9Å; P294-D296 VanDerWaalsContact O-N 3.17Å; P294-F297 HydrophobicContact CB-CB 4.43Å; P294-F297 WeakPolarHBondContact O-CB 3.38Å; P294-F297 PolarHBondContact O-N 3.18Å
295	M	93.2	Very high	94.4	Very high	140 Å²	140	71.8 Å²	71.8	69%	0.69	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.4	-178.7	-64.1	-57.5	-63.9	0	0	113.7	P255	P255-M295 HydrophobicContact CB-SD 3.88Å; P255-M295 HydrophobicContact CG-CE 4.17Å; P255-M295 HydrophobicContact CG-SD 3.78Å
296	D	93.5	Very high	94.4	Very high	73 Å²	73	69.7 Å²	69.7	39%	0.39	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	2	177.1	65.1	-1	0	0	0	113.7	P294 T298 A299 K300	P294-D296 WeakPolarHBondContact CB-OD1 3.41Å; P294-D296 PolarHBondContact O-N 2.9Å; P294-D296 VanDerWaalsContact O-N 3.17Å; D296-T298 PolarHBondContact O-N 3.16Å; D296-A299 WeakPolarHBondContact O-CA 3.46Å; D296-A299 WeakPolarHBondContact O-CB 3.33Å; D296-A299 PolarHBondContact O-N 2.69Å; D296-K300 VanDerWaalsContact CG-CE 3.43Å; D296-K300 PolarHBondContact O-N 2.9Å; D296-K300 WeakPolarHBondContact OD1-CE 3.15Å; D296-K300 IonicContact OD1-NZ 2.65Å; D296-K300 PolarHBondContact OD1-NZ 3Å; D296-K300 WeakPolarHBondContact OD2-CE 3.43Å; D296-K300 IonicContact OD2-NZ 2.82Å; D296-K300 PolarHBondContact OD2-NZ 2.77Å
297	F	94.1	Very high	94.5	Very high	5 Å²	5	66.3 Å²	66.3	2%	0.022	36%	0.359	C	S	.	.	H	α-helix	trans	-53.8	-47.8	-174.3	173.4	-104.2	0	0	0	113	M189 I196 L248 L293 P294 A299 K300 V301	M189-F297 HydrophobicContact CE-CD2 3.72Å; M189-F297 HydrophobicContact CE-CE2 3.77Å; I196-F297 HydrophobicContact CD1-CD2 4.08Å; I196-F297 HydrophobicContact CD1-CE2 3.46Å; I196-F297 VanDerWaalsContact CD1-CE2 3.46Å; I196-F297 HydrophobicContact CD1-CZ 4.12Å; L248-F297 HydrophobicContact CB-CZ 4.5Å; L248-F297 WeakPolarHBondContact O-CE1 3.29Å; L293-F297 HydrophobicContact CB-CB 4.41Å; L293-F297 HydrophobicContact CD1-CD1 3.8Å; L293-F297 HydrophobicContact CD1-CE1 3.95Å; L293-F297 HydrophobicContact CD1-CG 4.43Å; L293-F297 HydrophobicContact CD2-CD1 4.25Å; L293-F297 HydrophobicContact CD2-CD2 4.21Å; L293-F297 HydrophobicContact CD2-CE1 4.33Å; L293-F297 HydrophobicContact CD2-CE2 4.32Å; L293-F297 HydrophobicContact CD2-CG 4.18Å; L293-F297 HydrophobicContact CD2-CZ 4.37Å; L293-F297 HydrophobicContact CG-CD1 4.45Å; P294-F297 HydrophobicContact CB-CB 4.43Å; P294-F297 WeakPolarHBondContact O-CB 3.38Å; P294-F297 PolarHBondContact O-N 3.18Å; F297-A299 PolarHBondContact O-N 3.3Å; F297-K300 PolarHBondContact O-N 2.77Å; F297-V301 HydrophobicContact CD1-CG2 4.39Å; F297-V301 HydrophobicContact CD2-CG2 4.22Å; F297-V301 HydrophobicContact CE1-CG2 4.01Å; F297-V301 HydrophobicContact CE2-CG2 3.79Å; F297-V301 HydrophobicContact CZ-CG2 3.69Å; F297-V301 VanDerWaalsContact O-CG2 3.31Å; F297-V301 WeakPolarHBondContact O-CG2 3.4Å; F297-V301 PolarHBondContact O-N 2.9Å
298	T	92.6	Very high	94.6	Very high	43 Å²	43	66.5 Å²	66.5	26%	0.264	36%	0.363	S	S	.	.	H	α-helix	trans	-67.2	-22.6	179.1	-41.9	0	0	0	0	113	D296 R302	D296-T298 PolarHBondContact O-N 3.16Å; T298-R302 PolarHBondContact O-N 2.95Å
299	A	94.1	Very high	94.7	Very high	32 Å²	32	61.2 Å²	61.2	26%	0.264	33%	0.331	S	S	.	.	H	α-helix	trans	-77.8	-51	172.2	0	0	0	0	0	110.6	D296 F297 V301 R302 E303	D296-A299 WeakPolarHBondContact O-CA 3.46Å; D296-A299 WeakPolarHBondContact O-CB 3.33Å; D296-A299 PolarHBondContact O-N 2.69Å; F297-A299 PolarHBondContact O-N 3.3Å; A299-V301 VanDerWaalsContact C-N 3.29Å; A299-V301 PolarHBondContact O-N 3.08Å; A299-R302 WeakPolarHBondContact O-CA 3.42Å; A299-R302 WeakPolarHBondContact O-CB 3.46Å; A299-R302 PolarHBondContact O-N 2.78Å; A299-E303 WeakPolarHBondContact O-CG 3.27Å; A299-E303 PolarHBondContact O-N 3.39Å
300	K	94.8	Very high	94.9	Very high	56 Å²	56	62.7 Å²	62.7	24%	0.243	31%	0.313	C	S	.	.	H	α-helix	trans	-52.5	-44.5	174.3	-73.6	171.6	171	151.6	0	112.2	M189 D296 F297 R302 E303 N304	M189-K300 HydrophobicContact CE-CB 3.72Å; M189-K300 HydrophobicContact CE-CD 4.43Å; M189-K300 HydrophobicContact SD-CB 3.72Å; D296-K300 VanDerWaalsContact CG-CE 3.43Å; D296-K300 PolarHBondContact O-N 2.9Å; D296-K300 WeakPolarHBondContact OD1-CE 3.15Å; D296-K300 IonicContact OD1-NZ 2.65Å; D296-K300 PolarHBondContact OD1-NZ 3Å; D296-K300 WeakPolarHBondContact OD2-CE 3.43Å; D296-K300 IonicContact OD2-NZ 2.82Å; D296-K300 PolarHBondContact OD2-NZ 2.77Å; F297-K300 PolarHBondContact O-N 2.77Å; K300-R302 VanDerWaalsContact C-N 3.35Å; K300-R302 PolarHBondContact O-N 2.78Å; K300-E303 PolarHBondContact O-N 2.91Å; K300-N304 VanDerWaalsContact O-CB 3.29Å; K300-N304 WeakPolarHBondContact O-CB 3.21Å; K300-N304 PolarHBondContact O-N 3.03Å; K300-N304 PolarHBondContact O-ND2 3.01Å
301	V	94.6	Very high	94.9	Very high	15 Å²	15	67.4 Å²	67.4	9%	0.091	33%	0.327	C	S	.	.	H	α-helix	trans	-59.5	-43.8	175.5	169.3	0	0	0	0	111.3	M189 C249 F297 A299 N304 M305	M189-V301 HydrophobicContact CE-CG2 4.09Å; M189-V301 HydrophobicContact CG-CG2 3.8Å; M189-V301 HydrophobicContact SD-CB 4.42Å; M189-V301 HydrophobicContact SD-CG2 3.84Å; M189-V301 PolarHBondContact SD-N 2.6Å; C249-V301 HydrophobicContact CB-CG1 3.89Å; C249-V301 HydrophobicContact CB-CG2 4.27Å; F297-V301 HydrophobicContact CD1-CG2 4.39Å; F297-V301 HydrophobicContact CD2-CG2 4.22Å; F297-V301 HydrophobicContact CE1-CG2 4.01Å; F297-V301 HydrophobicContact CE2-CG2 3.79Å; F297-V301 HydrophobicContact CZ-CG2 3.69Å; F297-V301 VanDerWaalsContact O-CG2 3.31Å; F297-V301 WeakPolarHBondContact O-CG2 3.4Å; F297-V301 PolarHBondContact O-N 2.9Å; A299-V301 VanDerWaalsContact C-N 3.29Å; A299-V301 PolarHBondContact O-N 3.08Å; V301-N304 PolarHBondContact O-N 3.49Å; V301-M305 WeakPolarHBondContact O-CG 3.23Å; V301-M305 PolarHBondContact O-N 3.15Å
302	R	94.3	Very high	94.8	Very high	166 Å²	166	65.2 Å²	65.2	63%	0.626	32%	0.32	S	S	*	.	H	α-helix	trans	-67	-36.8	178.7	-168.2	-168.1	-55.5	142.5	5.8	112.3	T298 A299 K300	T298-R302 PolarHBondContact O-N 2.95Å; A299-R302 WeakPolarHBondContact O-CA 3.42Å; A299-R302 WeakPolarHBondContact O-CB 3.46Å; A299-R302 PolarHBondContact O-N 2.78Å; K300-R302 VanDerWaalsContact C-N 3.35Å; K300-R302 PolarHBondContact O-N 2.78Å
303	E	94.6	Very high	94.8	Very high	112 Å²	112	63.8 Å²	63.8	52%	0.523	31%	0.31	S	S	.	.	H	α-helix	trans	-69.1	-46.1	176.2	-71	152.6	-158.2	0	0	111.3	A299 K300 M305 Q306	A299-E303 WeakPolarHBondContact O-CG 3.27Å; A299-E303 PolarHBondContact O-N 3.39Å; K300-E303 PolarHBondContact O-N 2.91Å; E303-M305 PolarHBondContact O-N 3.45Å; E303-M305 VanDerWaalsContact O-N 3.12Å; E303-Q306 WeakPolarHBondContact O-CB 3.31Å; E303-Q306 PolarHBondContact O-N 3.01Å
304	N	94.3	Very high	94.9	Very high	49 Å²	49	64.8 Å²	64.8	26%	0.262	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-8.7	178	-82.2	-106.8	0	0	0	114	P188 M189 K300 V301	P188-N304 HydrophobicContact CB-CB 4.19Å; M189-N304 HydrophobicContact CG-CB 4.44Å; M189-N304 PolarHBondContact N-OD1 3.48Å; M189-N304 HydrophobicContact SD-CB 4.15Å; K300-N304 VanDerWaalsContact O-CB 3.29Å; K300-N304 WeakPolarHBondContact O-CB 3.21Å; K300-N304 PolarHBondContact O-N 3.03Å; K300-N304 PolarHBondContact O-ND2 3.01Å; V301-N304 PolarHBondContact O-N 3.49Å
305	M	93.9	Very high	95	Very high	55 Å²	55	63.3 Å²	63.3	27%	0.271	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	8.8	173.8	-69.9	-72	-76.5	0	0	113	P188 V301 E303 F307 L574 T575	P188-M305 HydrophobicContact CB-CG 4.43Å; P188-M305 HydrophobicContact CB-SD 3.89Å; P188-M305 HydrophobicContact CG-SD 3.61Å; V301-M305 WeakPolarHBondContact O-CG 3.23Å; V301-M305 PolarHBondContact O-N 3.15Å; E303-M305 PolarHBondContact O-N 3.45Å; E303-M305 VanDerWaalsContact O-N 3.12Å; M305-F307 VanDerWaalsContact O-CE2 3.24Å; M305-F307 WeakPolarHBondContact O-CE2 3.45Å; M305-F307 HydrophobicContact SD-CZ 4.37Å; M305-L574 HydrophobicContact CE-CD1 4.25Å; M305-L574 HydrophobicContact CE-CG 4.03Å; M305-L574 WeakPolarHBondContact CE-O 3.32Å; M305-L574 HydrophobicContact SD-CD2 4.29Å; M305-L574 HydrophobicContact SD-CG 4.11Å; M305-T575 HydrophobicContact CE-CG2 4.26Å
306	Q	94.3	Very high	95.2	Very high	136 Å²	136	57.4 Å²	57.4	64%	0.636	28%	0.275	S	S	*	.			trans	-97.3	113	175.2	-65.4	-179.4	53.1	0	0	111.5	E303	E303-Q306 WeakPolarHBondContact O-CB 3.31Å; E303-Q306 PolarHBondContact O-N 3.01Å
307	F	95.6	Very high	95.4	Very high	31 Å²	31	53.9 Å²	53.9	14%	0.136	26%	0.257	C	S	.	.			trans	-97.4	133.9	-179.7	-51.2	-65.9	0	0	0	110.8	M305 K310 V334 G336 G337 M355	M305-F307 VanDerWaalsContact O-CE2 3.24Å; M305-F307 WeakPolarHBondContact O-CE2 3.45Å; M305-F307 HydrophobicContact SD-CZ 4.37Å; F307-K310 PolarHBondContact O-NZ 2.96Å; F307-V334 HydrophobicContact CB-CG1 3.83Å; F307-V334 HydrophobicContact CD2-CG1 4.25Å; F307-V334 HydrophobicContact CG-CG1 4.19Å; F307-G336 VanDerWaalsContact CZ-CA 3.5Å; F307-G337 VanDerWaalsContact CD1-CA 3.49Å; F307-G337 VanDerWaalsContact CE1-N 3.35Å; F307-M355 HydrophobicContact CB-SD 4.38Å; F307-M355 HydrophobicContact CD1-CE 3.73Å; F307-M355 HydrophobicContact CD1-SD 3.97Å; F307-M355 HydrophobicContact CE1-CE 4.23Å
308	P	96.4	Very high	95.5	Very high	50 Å²	50	54.7 Å²	54.7	33%	0.325	26%	0.262	S	S	.	.	S	Bend	trans	-76.8	-34.2	-171.9	29.3	-35.1	0	0	0	113.1	K310 L392	P308-K310 VanDerWaalsContact O-CE 3.26Å; P308-K310 WeakPolarHBondContact O-CE 3.37Å; P308-L392 HydrophobicContact CB-CD1 4.3Å; P308-L392 HydrophobicContact CB-CD2 3.89Å; P308-L392 HydrophobicContact CG-CD2 4.46Å
309	F	97.7	Very high	95.5	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.018	25%	0.25	C	C	.	.			trans	-61.6	139.1	173.4	-75.5	-90.9	0	0	0	111.1	M313 V315 V331 L339 M355 A388 L392 F393	F309-M313 HydrophobicContact CB-SD 4.43Å; F309-M313 HydrophobicContact CD1-SD 4.13Å; F309-V315 HydrophobicContact CE1-CG1 4.1Å; F309-V331 HydrophobicContact CD1-CG2 4.33Å; F309-L339 HydrophobicContact CB-CD2 3.74Å; F309-L339 HydrophobicContact CD1-CD1 4.14Å; F309-L339 HydrophobicContact CD2-CD1 4.43Å; F309-L339 HydrophobicContact CE1-CD1 4.42Å; F309-L339 HydrophobicContact CG-CD1 4.14Å; F309-L339 HydrophobicContact CG-CD2 4.11Å; F309-M355 HydrophobicContact CD2-CB 3.69Å; F309-M355 HydrophobicContact CE2-CB 3.85Å; F309-A388 HydrophobicContact CD1-CB 4.42Å; F309-A388 HydrophobicContact CE1-CB 3.91Å; F309-L392 HydrophobicContact CD1-CD1 4.5Å; F309-L392 HydrophobicContact CD2-CB 4.39Å; F309-L392 HydrophobicContact CE1-CB 4.37Å; F309-L392 HydrophobicContact CE2-CB 3.79Å; F309-L392 WeakPolarHBondContact CE2-O 3.19Å; F309-L392 HydrophobicContact CZ-CB 3.78Å; F309-F393 HydrophobicContact CE1-CE1 4.13Å; F309-F393 HydrophobicContact CE1-CE2 4.32Å; F309-F393 AromaticContact CE1-CZ 3.91Å; F309-F393 HydrophobicContact CE1-CZ 3.91Å; F309-F393 HydrophobicContact CZ-CD1 4.12Å; F309-F393 HydrophobicContact CZ-CD2 4.41Å; F309-F393 AromaticContact CZ-CE1 3.94Å; F309-F393 HydrophobicContact CZ-CE1 3.94Å; F309-F393 HydrophobicContact CZ-CE2 4.26Å; F309-F393 HydrophobicContact CZ-CG 4.36Å; F309-F393 HydrophobicContact CZ-CZ 4.03Å
310	K	96.3	Very high	95.3	Very high	116 Å²	116	55 Å²	55	50%	0.504	25%	0.254	S	S	.	.			trans	-126.2	160.6	-178.7	-51.1	-59.2	173	-163.4	0	110.6	F307 P308 M313 V331	F307-K310 PolarHBondContact O-NZ 2.96Å; P308-K310 VanDerWaalsContact O-CE 3.26Å; P308-K310 WeakPolarHBondContact O-CE 3.37Å; K310-M313 HydrophobicContact CB-CE 4.07Å; K310-M313 HydrophobicContact CB-CG 4.46Å; K310-M313 HydrophobicContact CB-SD 4.32Å; K310-M313 HydrophobicContact CG-CE 3.93Å; K310-M313 PolarHBondContact N-SD 3.24Å; K310-M313 WeakPolarHBondContact O-CB 3.19Å; K310-M313 WeakPolarHBondContact O-CG 3.2Å; K310-M313 PolarHBondContact O-N 3.5Å; K310-V331 WeakPolarHBondContact O-CB 3.44Å; K310-V331 WeakPolarHBondContact O-CG1 3.41Å
311	K	95.5	Very high	95	Very high	133 Å²	133	57.1 Å²	57.1	58%	0.578	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	147	173.4	-169.6	171.3	-174.1	165.5	0	110.8	M313 V331 E332	K311-M313 PolarHBondContact O-N 3.39Å; K311-V331 CarbonylContact C-O 3.59Å; K311-V331 VanDerWaalsContact CA-O 3.31Å; K311-V331 WeakPolarHBondContact CA-O 3.36Å; K311-E332 WeakPolarHBondContact CD-O 3.49Å; K311-E332 WeakPolarHBondContact CE-O 3.47Å; K311-E332 WeakPolarHBondContact CG-O 3.24Å
312	L	94.4	Very high	94.8	Very high	68 Å²	68	61.6 Å²	61.6	36%	0.356	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	7	-175.1	-47.2	-176.7	0	0	0	115.8	V331 V386	L312-V331 PolarHBondContact N-O 3.35Å; L312-V386 PolarHBondContact O-N 2.85Å
313	M	97.2	Very high	94.7	Very high	22 Å²	22	54.8 Å²	54.8	11%	0.108	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	133.8	165.1	-75.9	-175.5	172.6	0	0	110.9	F309 K310 K311 L330 V331 V386 A388 L392	F309-M313 HydrophobicContact CB-SD 4.43Å; F309-M313 HydrophobicContact CD1-SD 4.13Å; K310-M313 HydrophobicContact CB-CE 4.07Å; K310-M313 HydrophobicContact CB-CG 4.46Å; K310-M313 HydrophobicContact CB-SD 4.32Å; K310-M313 HydrophobicContact CG-CE 3.93Å; K310-M313 PolarHBondContact N-SD 3.24Å; K310-M313 WeakPolarHBondContact O-CB 3.19Å; K310-M313 WeakPolarHBondContact O-CG 3.2Å; K310-M313 PolarHBondContact O-N 3.5Å; K311-M313 PolarHBondContact O-N 3.39Å; M313-L330 WeakPolarHBondContact O-CA 3.49Å; M313-V331 HydrophobicContact CB-CB 4.35Å; M313-V331 HydrophobicContact CB-CG2 4.03Å; M313-V331 PolarHBondContact O-N 2.82Å; M313-V386 CarbonylContact C-O 3.57Å; M313-V386 VanDerWaalsContact CA-O 3.31Å; M313-V386 WeakPolarHBondContact CA-O 3.49Å; M313-V386 HydrophobicContact CG-CG2 3.95Å; M313-A388 HydrophobicContact CB-CB 4.31Å; M313-A388 HydrophobicContact SD-CB 4.41Å; M313-L392 HydrophobicContact CE-CD1 4.09Å; M313-L392 HydrophobicContact SD-CD1 4.05Å
314	R	96.6	Very high	94.7	Very high	23 Å²	23	49.9 Å²	49.9	9%	0.087	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	133.7	176.1	-61.7	171.8	74.6	-115.6	6.9	110.3	V328 A329 L330 E344 I363 Q385 V386 D387 A388	R314-V328 HydrophobicContact CB-CG1 4.33Å; R314-A329 WeakPolarHBondContact CA-O 3.25Å; R314-L330 HydrophobicContact CG-CD2 3.56Å; R314-E344 IonicContact CZ-OE1 2.67Å; R314-E344 IonicContact NE-OE1 2.78Å; R314-E344 PolarHBondContact NE-OE1 3.34Å; R314-E344 IonicContact NH2-OE1 3.78Å; R314-E344 PolarHBondContact NH2-OE1 2.76Å; R314-E344 IonicContact NH2-OE2 3.24Å; R314-E344 PolarHBondContact NH2-OE2 3.35Å; R314-I363 HydrophobicContact CB-CD1 4.08Å; R314-I363 HydrophobicContact CB-CG1 4.27Å; R314-Q385 HydrophobicContact CG-CB 4.42Å; R314-V386 PolarHBondContact N-O 2.99Å; R314-D387 WeakPolarHBondContact CD-OD1 3.22Å; R314-D387 IonicContact CZ-OD1 3.27Å; R314-D387 IonicContact NH1-OD1 3.06Å; R314-D387 PolarHBondContact NH1-OD1 3.15Å; R314-A388 WeakPolarHBondContact O-CB 3.27Å; R314-A388 PolarHBondContact O-N 3.49Å
315	V	97.5	Very high	94.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	154.9	177.8	-53.3	0	0	0	0	110.4	F309 V317 V328 A329 V331 L341 A388 F393	F309-V315 HydrophobicContact CE1-CG1 4.1Å; V315-V317 HydrophobicContact CG2-CB 4.49Å; V315-V317 HydrophobicContact CG2-CG1 4.46Å; V315-V328 WeakPolarHBondContact O-CA 3.36Å; V315-A329 HydrophobicContact CG2-CB 4.32Å; V315-A329 PolarHBondContact N-O 2.7Å; V315-A329 PolarHBondContact O-N 2.82Å; V315-V331 HydrophobicContact CG1-CG2 4.43Å; V315-L341 HydrophobicContact CG2-CD1 3.79Å; V315-L341 HydrophobicContact CG2-CD2 3.97Å; V315-A388 HydrophobicContact CG1-CB 3.91Å; V315-F393 HydrophobicContact CB-CE1 4.42Å; V315-F393 HydrophobicContact CB-CZ 4.25Å; V315-F393 HydrophobicContact CG1-CE1 4.22Å; V315-F393 HydrophobicContact CG1-CZ 3.85Å
316	E	97.5	Very high	94.8	Very high	16 Å²	16	48 Å²	48	8%	0.075	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	136.2	160.5	-78.1	175.8	-159.2	0	0	108.5	I360 H361 I363 G364 S366	E316-I360 CarbonylContact O-C 3.5Å; E316-I360 WeakPolarHBondContact O-CA 3.15Å; E316-H361 HydrophobicContact CB-CB 4.45Å; E316-H361 PolarHBondContact N-O 3.11Å; E316-H361 PolarHBondContact O-N 2.85Å; E316-I363 HydrophobicContact CG-CD1 4.14Å; E316-G364 PolarHBondContact OE1-N 2.86Å; E316-S366 WeakPolarHBondContact OE2-CB 3.29Å; E316-S366 PolarHBondContact OE2-N 3.22Å; E316-S366 PolarHBondContact OE2-OG 3.12Å
317	V	97.4	Very high	94.9	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	151.8	-178.8	51.7	0	0	0	0	109.8	V315 D319 T326 R327 A329 L341 Y343 F351 L359 I360	V315-V317 HydrophobicContact CG2-CB 4.49Å; V315-V317 HydrophobicContact CG2-CG1 4.46Å; V317-D319 PolarHBondContact O-N 3.28Å; V317-T326 CarbonylContact O-C 3.55Å; V317-T326 WeakPolarHBondContact O-CA 3.44Å; V317-T326 WeakPolarHBondContact O-CB 3.46Å; V317-R327 PolarHBondContact N-O 3.12Å; V317-R327 PolarHBondContact O-N 3.26Å; V317-A329 HydrophobicContact CG1-CB 3.44Å; V317-A329 VanDerWaalsContact CG1-CB 3.44Å; V317-L341 HydrophobicContact CB-CD1 4.11Å; V317-L341 HydrophobicContact CG1-CD1 4.21Å; V317-L341 HydrophobicContact CG2-CD1 4.03Å; V317-Y343 HydrophobicContact CG1-CD1 4.21Å; V317-Y343 HydrophobicContact CG1-CE1 3.8Å; V317-F351 HydrophobicContact CG2-CD1 3.72Å; V317-F351 HydrophobicContact CG2-CE1 3.68Å; V317-F351 HydrophobicContact CG2-CE2 4.5Å; V317-F351 HydrophobicContact CG2-CG 4.15Å; V317-F351 HydrophobicContact CG2-CZ 4.1Å; V317-L359 WeakPolarHBondContact CA-O 3.27Å; V317-I360 HydrophobicContact CB-CG2 4.07Å; V317-I360 HydrophobicContact CG2-CG2 3.88Å
318	V	95.7	Very high	94.8	Very high	21 Å²	21	41.4 Å²	41.4	13%	0.127	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	137.4	175.9	68.2	0	0	0	0	112.2	K320 L323 Y343 F351 L359	V318-K320 PolarHBondContact O-N 2.82Å; V318-L323 HydrophobicContact CG2-CD2 4.04Å; V318-Y343 PolarHBondContact O-OH 3.45Å; V318-F351 HydrophobicContact CG1-CE2 3.74Å; V318-F351 HydrophobicContact CG1-CZ 3.64Å; V318-L359 HydrophobicContact CG1-CB 4.08Å; V318-L359 HydrophobicContact CG1-CD1 4.31Å; V318-L359 HydrophobicContact CG1-CD2 4.46Å; V318-L359 PolarHBondContact N-O 2.81Å
319	D	93.1	Very high	94.8	Very high	2 Å²	2	39 Å²	39	1%	0.011	18%	0.179	C	C	.	.			trans	-80.3	107.3	170.7	-175.8	-11.2	0	0	0	108.9	V317 N321 Y322 L323 R325 R327	V317-D319 PolarHBondContact O-N 3.28Å; D319-N321 PolarHBondContact O-N 2.88Å; D319-N321 PolarHBondContact OD1-N 2.98Å; D319-N321 VanDerWaalsContact OD1-N 3.09Å; D319-Y322 CarbonylContact O-C 3.53Å; D319-Y322 PolarHBondContact O-N 3.26Å; D319-L323 PolarHBondContact O-N 2.93Å; D319-R325 HydrophobicContact CB-CG 3.93Å; D319-R325 PolarHBondContact N-O 3Å; D319-R325 IonicContact OD2-CZ 2.69Å; D319-R325 IonicContact OD2-NE 2.63Å; D319-R325 PolarHBondContact OD2-NE 3.5Å; D319-R325 IonicContact OD2-NH2 2.74Å; D319-R325 PolarHBondContact OD2-NH2 2.87Å; D319-R327 HydrophobicContact CB-CG 4.14Å; D319-R327 IonicContact OD1-NH1 3.66Å
320	K	89.1	Confident	94.7	Very high	80 Å²	80	40.3 Å²	40.3	35%	0.348	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-12.2	-177.3	68.7	-176.8	178.7	-176.3	0	114.5	V318 Y343 D349 D350 F351	V318-K320 PolarHBondContact O-N 2.82Å; K320-Y343 HydrophobicContact CG-CE2 4.37Å; K320-Y343 PolarHBondContact N-OH 3.2Å; K320-D349 WeakPolarHBondContact CE-OD1 3.28Å; K320-D349 WeakPolarHBondContact CE-OD2 3.37Å; K320-D349 VanDerWaalsContact NZ-CG 3.28Å; K320-D349 IonicContact NZ-OD1 3.45Å; K320-D349 PolarHBondContact NZ-OD1 3.08Å; K320-D349 IonicContact NZ-OD2 3.7Å; K320-D349 PolarHBondContact NZ-OD2 2.71Å; K320-D350 PolarHBondContact NZ-O 2.77Å; K320-F351 HydrophobicContact CB-CD2 4.37Å; K320-F351 HydrophobicContact CB-CE2 4.37Å; K320-F351 HydrophobicContact CD-CD2 4.35Å
321	N	88.1	Confident	94.8	Very high	101 Å²	101	34.8 Å²	34.8	54%	0.54	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-14.5	173.1	-58.9	-78.2	0	0	0	113	D319	D319-N321 PolarHBondContact O-N 2.88Å; D319-N321 PolarHBondContact OD1-N 2.98Å; D319-N321 VanDerWaalsContact OD1-N 3.09Å
322	Y	90.7	Very high	94.8	Very high	109 Å²	109	31.8 Å²	31.8	43%	0.427	15%	0.15	S	C	.	.			trans	-151	77.4	-174.4	-63.6	-90.9	0	0	0	110.2	D319 C324 R325 S450	D319-Y322 CarbonylContact O-C 3.53Å; D319-Y322 PolarHBondContact O-N 3.26Å; Y322-C324 PolarHBondContact O-N 2.94Å; Y322-R325 WeakPolarHBondContact O-CG 3.41Å; Y322-R325 PolarHBondContact O-N 3.39Å; Y322-S450 CarbonylContact C-O 3.51Å
323	L	92	Very high	94.9	Very high	23 Å²	23	32.9 Å²	32.9	12%	0.12	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-24.8	-171.4	-61.6	-174.7	0	0	0	114.6	V318 D319 R325 P417 L418 S450 W452 F453	V318-L323 HydrophobicContact CG2-CD2 4.04Å; D319-L323 PolarHBondContact O-N 2.93Å; L323-R325 PolarHBondContact O-N 3.41Å; L323-R325 VanDerWaalsContact O-N 3.12Å; L323-P417 HydrophobicContact CD1-CB 4.43Å; L323-P417 HydrophobicContact CD1-CG 3.88Å; L323-L418 HydrophobicContact CD1-CD1 4.28Å; L323-L418 HydrophobicContact CD1-CD2 3.89Å; L323-L418 HydrophobicContact CD1-CG 3.91Å; L323-S450 PolarHBondContact N-O 2.84Å; L323-W452 CarbonylContact C-O 3.51Å; L323-F453 HydrophobicContact CB-CB 4.35Å; L323-F453 HydrophobicContact CD1-CB 4.34Å
324	C	94.5	Very high	94.9	Very high	8 Å²	8	33.8 Å²	33.8	5%	0.054	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-5.6	-179.9	77.4	0	0	0	0	115	Y322 H371 R372 M438 G449 S450 W452	Y322-C324 PolarHBondContact O-N 2.94Å; C324-H371 PolarHBondContact O-CE1 2.91Å; C324-R372 WeakPolarHBondContact O-CB 3.44Å; C324-R372 PolarHBondContact SG-NH1 2.68Å; C324-R372 VanDerWaalsContact SG-NH1 3.39Å; C324-M438 HydrophobicContact CB-CE 4.38Å; C324-G449 WeakPolarHBondContact CB-O 3.2Å; C324-S450 PolarHBondContact N-O 2.84Å; C324-W452 WeakPolarHBondContact CA-O 3.42Å; C324-W452 HydrophobicContact CB-CB 4.29Å; C324-W452 WeakPolarHBondContact CB-O 3.24Å; C324-W452 PolarHBondContact N-O 2.85Å
325	R	95.4	Very high	94.9	Very high	62 Å²	62	34.4 Å²	34.4	23%	0.234	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	155.4	-178.8	73.5	178.1	-175.5	-144.2	-1.7	113.2	D319 Y322 L323 R372	D319-R325 HydrophobicContact CB-CG 3.93Å; D319-R325 PolarHBondContact N-O 3Å; D319-R325 IonicContact OD2-CZ 2.69Å; D319-R325 IonicContact OD2-NE 2.63Å; D319-R325 PolarHBondContact OD2-NE 3.5Å; D319-R325 IonicContact OD2-NH2 2.74Å; D319-R325 PolarHBondContact OD2-NH2 2.87Å; Y322-R325 WeakPolarHBondContact O-CG 3.41Å; Y322-R325 PolarHBondContact O-N 3.39Å; L323-R325 PolarHBondContact O-N 3.41Å; L323-R325 VanDerWaalsContact O-N 3.12Å; R325-R372 WeakPolarHBondContact CA-O 3.36Å; R325-R372 HydrophobicContact CB-CB 3.87Å; R325-R372 WeakPolarHBondContact CB-O 3.44Å
326	T	96.8	Very high	94.8	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.018	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	167.2	162.2	55.3	0	0	0	0	111.5	V317 W365 S366 R372 F373 K374	V317-T326 CarbonylContact O-C 3.55Å; V317-T326 WeakPolarHBondContact O-CA 3.44Å; V317-T326 WeakPolarHBondContact O-CB 3.46Å; T326-W365 HydrophobicContact CG2-CE3 4.37Å; T326-W365 HydrophobicContact CG2-CZ3 3.87Å; T326-S366 WeakPolarHBondContact CB-OG 3.46Å; T326-S366 WeakPolarHBondContact CG2-OG 3.38Å; T326-S366 PolarHBondContact OG1-OG 3.5Å; T326-R372 PolarHBondContact N-O 2.99Å; T326-R372 VanDerWaalsContact N-O 3.08Å; T326-R372 PolarHBondContact OG1-O 2.83Å; T326-F373 CarbonylContact O-C 3.56Å; T326-F373 WeakPolarHBondContact O-CA 3.19Å; T326-F373 WeakPolarHBondContact OG1-CB 3.45Å; T326-K374 PolarHBondContact O-N 3.02Å
327	R	94.6	Very high	94.8	Very high	9 Å²	9	33.9 Å²	33.9	3%	0.034	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	163.3	162.9	62.7	-166.1	-73.8	-151.7	0.8	109	V317 D319 Y343 D345 D346 K374	V317-R327 PolarHBondContact N-O 3.12Å; V317-R327 PolarHBondContact O-N 3.26Å; D319-R327 HydrophobicContact CB-CG 4.14Å; D319-R327 IonicContact OD1-NH1 3.66Å; R327-Y343 VanDerWaalsContact CD-CD1 3.47Å; R327-Y343 HydrophobicContact CG-CD1 3.38Å; R327-Y343 HydrophobicContact CG-CE1 3.44Å; R327-Y343 VanDerWaalsContact CG-CE1 3.44Å; R327-Y343 HydrophobicContact CG-CG 4.21Å; R327-Y343 VanDerWaalsContact CZ-CB 3.4Å; R327-Y343 VanDerWaalsContact CZ-CD2 3.45Å; R327-D345 IonicContact CZ-OD1 3.35Å; R327-D345 IonicContact CZ-OD2 2.76Å; R327-D345 IonicContact NE-OD1 2.74Å; R327-D345 PolarHBondContact NE-OD1 2.91Å; R327-D345 IonicContact NH2-OD1 3.45Å; R327-D345 PolarHBondContact NH2-OD1 3.36Å; R327-D345 IonicContact NH2-OD2 2.68Å; R327-D345 PolarHBondContact NH2-OD2 2.77Å; R327-D346 IonicContact CZ-OD2 2.65Å; R327-D346 IonicContact NH1-OD2 3.46Å; R327-D346 PolarHBondContact NH1-OD2 3.1Å; R327-D346 IonicContact NH2-OD2 2.76Å; R327-D346 PolarHBondContact NH2-OD2 3.12Å; R327-K374 HydrophobicContact CB-CB 3.86Å; R327-K374 HydrophobicContact CB-CD 4.38Å
328	V	95.1	Very high	94.8	Very high	19 Å²	19	33.9 Å²	33.9	12%	0.115	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	137.7	179.2	-178.8	0	0	0	0	110.1	R314 V315 E344 I363	R314-V328 HydrophobicContact CB-CG1 4.33Å; V315-V328 WeakPolarHBondContact O-CA 3.36Å; V328-E344 HydrophobicContact CB-CB 4.24Å; V328-E344 HydrophobicContact CG1-CB 4.22Å; V328-E344 PolarHBondContact O-N 2.7Å; V328-I363 HydrophobicContact CG1-CD1 4.15Å; V328-I363 HydrophobicContact CG2-CD1 4.36Å
329	A	95.9	Very high	95	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	157.8	172.3	0	0	0	0	0	111.9	R314 V315 V317 L341 V342 Y343	R314-A329 WeakPolarHBondContact CA-O 3.25Å; V315-A329 HydrophobicContact CG2-CB 4.32Å; V315-A329 PolarHBondContact N-O 2.7Å; V315-A329 PolarHBondContact O-N 2.82Å; V317-A329 HydrophobicContact CG1-CB 3.44Å; V317-A329 VanDerWaalsContact CG1-CB 3.44Å; A329-L341 HydrophobicContact CB-CB 3.97Å; A329-V342 CarbonylContact C-O 3.54Å; A329-V342 WeakPolarHBondContact CA-O 3.39Å; A329-V342 WeakPolarHBondContact CB-O 3.24Å; A329-Y343 HydrophobicContact CB-CD1 3.97Å
330	L	95.6	Very high	95.2	Very high	32 Å²	32	36 Å²	36	17%	0.168	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	134.2	176.2	-70.1	158.8	0	0	0	109.9	M313 R314 E332 L341 V342 Q385	M313-L330 WeakPolarHBondContact O-CA 3.49Å; R314-L330 HydrophobicContact CG-CD2 3.56Å; L330-E332 PolarHBondContact O-N 3.34Å; L330-L341 CarbonylContact O-C 3.47Å; L330-L341 WeakPolarHBondContact O-CA 3.39Å; L330-V342 PolarHBondContact N-O 2.82Å; L330-V342 PolarHBondContact O-N 3.29Å; L330-Q385 HydrophobicContact CD2-CG 3.92Å
331	V	97.5	Very high	95.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	111.4	165.2	179.7	0	0	0	0	108.3	F309 K310 K311 L312 M313 V315 V334 L339 L341	F309-V331 HydrophobicContact CD1-CG2 4.33Å; K310-V331 WeakPolarHBondContact O-CB 3.44Å; K310-V331 WeakPolarHBondContact O-CG1 3.41Å; K311-V331 CarbonylContact C-O 3.59Å; K311-V331 VanDerWaalsContact CA-O 3.31Å; K311-V331 WeakPolarHBondContact CA-O 3.36Å; L312-V331 PolarHBondContact N-O 3.35Å; M313-V331 HydrophobicContact CB-CB 4.35Å; M313-V331 HydrophobicContact CB-CG2 4.03Å; M313-V331 PolarHBondContact O-N 2.82Å; V315-V331 HydrophobicContact CG1-CG2 4.43Å; V331-V334 HydrophobicContact CG1-CG2 3.64Å; V331-L339 HydrophobicContact CG1-CD2 4.49Å; V331-L339 HydrophobicContact CG2-CD1 4.47Å; V331-L341 HydrophobicContact CB-CD2 4.34Å; V331-L341 HydrophobicContact CG2-CD2 3.67Å
332	E	96	Very high	96	Very high	70 Å²	70	28.5 Å²	28.5	33%	0.327	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-38.3	177.2	-166.5	-158.2	174.5	0	0	111.5	K311 L330 R340 V342	K311-E332 WeakPolarHBondContact CD-O 3.49Å; K311-E332 WeakPolarHBondContact CE-O 3.47Å; K311-E332 WeakPolarHBondContact CG-O 3.24Å; L330-E332 PolarHBondContact O-N 3.34Å; E332-R340 PolarHBondContact N-O 2.78Å; E332-R340 IonicContact OE1-NH1 2.71Å; E332-R340 PolarHBondContact OE1-NH1 3.45Å; E332-R340 VanDerWaalsContact OE2-CD 3.26Å; E332-R340 WeakPolarHBondContact OE2-CD 3.4Å; E332-R340 IonicContact OE2-CZ 3.19Å; E332-R340 VanDerWaalsContact OE2-CZ 3.31Å; E332-R340 IonicContact OE2-NE 2.7Å; E332-R340 IonicContact OE2-NH1 2.78Å; E332-R340 PolarHBondContact OE2-NH1 3.47Å; E332-V342 HydrophobicContact CB-CG2 4.11Å; E332-V342 WeakPolarHBondContact OE2-CG2 3.48Å
333	Q	96.5	Very high	96.1	Very high	90 Å²	90	23.4 Å²	23.4	42%	0.421	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	150.9	-176.9	-161	177.9	15	0	0	110.8	I335 R340	Q333-I335 HydrophobicContact CG-CD1 4.37Å; Q333-I335 HydrophobicContact CG-CG1 4.02Å; Q333-R340 HydrophobicContact CB-CB 3.85Å; Q333-R340 PolarHBondContact N-O 3.07Å; Q333-R340 PolarHBondContact O-N 3.37Å
334	V	97.6	Very high	96	Very high	42 Å²	42	23.6 Å²	23.6	26%	0.255	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	127	171.9	-175.5	0	0	0	0	108.2	F307 V331 R338 L339	F307-V334 HydrophobicContact CB-CG1 3.83Å; F307-V334 HydrophobicContact CD2-CG1 4.25Å; F307-V334 HydrophobicContact CG-CG1 4.19Å; V331-V334 HydrophobicContact CG1-CG2 3.64Å; V334-R338 CarbonylContact C-O 3.59Å; V334-R338 WeakPolarHBondContact CA-O 3.43Å; V334-L339 HydrophobicContact CB-CD2 4.43Å; V334-L339 HydrophobicContact CG1-CD2 4.08Å; V334-L339 HydrophobicContact CG2-CD2 3.75Å
335	I	97	Very high	95.4	Very high	35 Å²	35	25.9 Å²	25.9	18%	0.179	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	114.6	178.1	-45.2	176.2	0	0	0	108.4	Q333 G337 R338 W352 T575 Y577	Q333-I335 HydrophobicContact CG-CD1 4.37Å; Q333-I335 HydrophobicContact CG-CG1 4.02Å; I335-G337 PolarHBondContact O-N 2.97Å; I335-G337 VanDerWaalsContact O-N 3.13Å; I335-R338 PolarHBondContact N-O 2.71Å; I335-R338 WeakPolarHBondContact O-CA 3.48Å; I335-R338 WeakPolarHBondContact O-CB 3.36Å; I335-R338 PolarHBondContact O-N 2.78Å; I335-W352 HydrophobicContact CD1-CH2 4.06Å; I335-W352 HydrophobicContact CD1-CZ3 4.35Å; I335-T575 WeakPolarHBondContact CG2-O 3.49Å; I335-Y577 HydrophobicContact CB-CD2 3.93Å; I335-Y577 HydrophobicContact CB-CE2 4.34Å; I335-Y577 HydrophobicContact CD1-CD2 4.11Å; I335-Y577 HydrophobicContact CD1-CE2 4.15Å; I335-Y577 HydrophobicContact CG2-CD2 3.78Å
336	G	95.4	Very high	94.4	Very high	6 Å²	6	25.8 Å²	25.8	6%	0.062	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	22.9	174.7	0	0	0	0	0	115.8	F307 R338 W571 T575	F307-G336 VanDerWaalsContact CZ-CA 3.5Å; G336-R338 VanDerWaalsContact C-N 3.35Å; G336-W571 WeakPolarHBondContact O-CZ2 3.46Å; G336-T575 VanDerWaalsContact CA-CG2 3.49Å
337	G	96.5	Very high	93.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	90	-12.4	-171.6	0	0	0	0	0	114.5	F307 I335 H354 M355	F307-G337 VanDerWaalsContact CD1-CA 3.49Å; F307-G337 VanDerWaalsContact CE1-N 3.35Å; I335-G337 PolarHBondContact O-N 2.97Å; I335-G337 VanDerWaalsContact O-N 3.13Å; G337-H354 VanDerWaalsContact C-CD2 3.43Å; G337-H354 PolarHBondContact O-CD2 3.3Å; G337-H354 VanDerWaalsContact O-CD2 3.3Å; G337-M355 WeakPolarHBondContact O-CB 3.43Å; G337-M355 WeakPolarHBondContact O-CG 3Å; G337-M355 PolarHBondContact O-N 2.87Å
338	R	98.4	Very high	92.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	133.3	168.4	-57.4	-167.2	67.3	64.8	-4.5	110.6	V334 I335 G336 C353 V523 P528 D565 Y567 W571 Y577	V334-R338 CarbonylContact C-O 3.59Å; V334-R338 WeakPolarHBondContact CA-O 3.43Å; I335-R338 PolarHBondContact N-O 2.71Å; I335-R338 WeakPolarHBondContact O-CA 3.48Å; I335-R338 WeakPolarHBondContact O-CB 3.36Å; I335-R338 PolarHBondContact O-N 2.78Å; G336-R338 VanDerWaalsContact C-N 3.35Å; R338-C353 CarbonylContact C-O 3.45Å; R338-C353 WeakPolarHBondContact CA-O 3.44Å; R338-V523 VanDerWaalsContact CZ-CG2 3.45Å; R338-P528 PolarHBondContact NH2-O 3.39Å; R338-D565 IonicContact CZ-OD1 3.96Å; R338-D565 IonicContact NH1-OD1 2.65Å; R338-D565 PolarHBondContact NH1-OD1 2.81Å; R338-D565 IonicContact NH2-OD1 3.22Å; R338-D565 PolarHBondContact NH2-OD1 2.76Å; R338-Y567 WeakPolarHBondContact CG-OH 3.48Å; R338-Y567 PolarHBondContact NH1-OH 3.16Å; R338-W571 HydrophobicContact CG-CH2 3.92Å; R338-W571 HydrophobicContact CG-CZ2 4.11Å; R338-Y577 HydrophobicContact CB-CE2 4.43Å
339	L	98.5	Very high	92.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	134	175.2	-50.2	-177.3	0	0	0	109	F309 V331 V334 L341 W352 C353 M355 I360	F309-L339 HydrophobicContact CB-CD2 3.74Å; F309-L339 HydrophobicContact CD1-CD1 4.14Å; F309-L339 HydrophobicContact CD2-CD1 4.43Å; F309-L339 HydrophobicContact CE1-CD1 4.42Å; F309-L339 HydrophobicContact CG-CD1 4.14Å; F309-L339 HydrophobicContact CG-CD2 4.11Å; V331-L339 HydrophobicContact CG1-CD2 4.49Å; V331-L339 HydrophobicContact CG2-CD1 4.47Å; V334-L339 HydrophobicContact CB-CD2 4.43Å; V334-L339 HydrophobicContact CG1-CD2 4.08Å; V334-L339 HydrophobicContact CG2-CD2 3.75Å; L339-L341 HydrophobicContact CB-CD2 3.98Å; L339-L341 HydrophobicContact CB-CG 4.27Å; L339-L341 HydrophobicContact CD1-CD2 4.24Å; L339-W352 WeakPolarHBondContact O-CA 3.25Å; L339-C353 PolarHBondContact N-O 3.06Å; L339-C353 PolarHBondContact O-N 2.98Å; L339-M355 HydrophobicContact CD1-CB 4.35Å; L339-M355 HydrophobicContact CD2-CB 4.27Å; L339-M355 HydrophobicContact CG-CB 4.27Å; L339-I360 HydrophobicContact CD1-CD1 3.75Å
340	R	97.9	Very high	92	Very high	68 Å²	68	38.6 Å²	38.6	26%	0.257	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	111.6	156.4	-170.2	178	-166.8	-136.7	0.2	107.4	E332 Q333 D350 W352	E332-R340 PolarHBondContact N-O 2.78Å; E332-R340 IonicContact OE1-NH1 2.71Å; E332-R340 PolarHBondContact OE1-NH1 3.45Å; E332-R340 VanDerWaalsContact OE2-CD 3.26Å; E332-R340 WeakPolarHBondContact OE2-CD 3.4Å; E332-R340 IonicContact OE2-CZ 3.19Å; E332-R340 VanDerWaalsContact OE2-CZ 3.31Å; E332-R340 IonicContact OE2-NE 2.7Å; E332-R340 IonicContact OE2-NH1 2.78Å; E332-R340 PolarHBondContact OE2-NH1 3.47Å; Q333-R340 HydrophobicContact CB-CB 3.85Å; Q333-R340 PolarHBondContact N-O 3.07Å; Q333-R340 PolarHBondContact O-N 3.37Å; R340-D350 HydrophobicContact CG-CB 4.38Å; R340-D350 IonicContact CZ-OD2 2.69Å; R340-D350 IonicContact NE-OD2 3.23Å; R340-D350 PolarHBondContact NE-OD2 3.06Å; R340-D350 IonicContact NH2-OD2 3.41Å; R340-D350 PolarHBondContact NH2-OD2 3.03Å; R340-W352 HydrophobicContact CB-CD2 4.15Å; R340-W352 HydrophobicContact CB-CE3 4.13Å; R340-W352 HydrophobicContact CB-CH2 3.78Å; R340-W352 HydrophobicContact CB-CZ2 3.77Å; R340-W352 HydrophobicContact CB-CZ3 3.94Å; R340-W352 HydrophobicContact CG-CD2 4.24Å; R340-W352 HydrophobicContact CG-CH2 4.24Å; R340-W352 HydrophobicContact CG-CZ2 3.69Å
341	L	97.6	Very high	92	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	142.8	173.1	-54.7	-178.5	0	0	0	109.4	V315 V317 A329 L330 V331 L339 D350 F351 I360	V315-L341 HydrophobicContact CG2-CD1 3.79Å; V315-L341 HydrophobicContact CG2-CD2 3.97Å; V317-L341 HydrophobicContact CB-CD1 4.11Å; V317-L341 HydrophobicContact CG1-CD1 4.21Å; V317-L341 HydrophobicContact CG2-CD1 4.03Å; A329-L341 HydrophobicContact CB-CB 3.97Å; L330-L341 CarbonylContact O-C 3.47Å; L330-L341 WeakPolarHBondContact O-CA 3.39Å; V331-L341 HydrophobicContact CB-CD2 4.34Å; V331-L341 HydrophobicContact CG2-CD2 3.67Å; L339-L341 HydrophobicContact CB-CD2 3.98Å; L339-L341 HydrophobicContact CB-CG 4.27Å; L339-L341 HydrophobicContact CD1-CD2 4.24Å; L341-D350 CarbonylContact O-C 3.44Å; L341-D350 VanDerWaalsContact O-CA 3.29Å; L341-D350 WeakPolarHBondContact O-CA 3.49Å; L341-D350 WeakPolarHBondContact O-CB 3.46Å; L341-F351 HydrophobicContact CB-CB 4.3Å; L341-F351 WeakPolarHBondContact CB-O 3.41Å; L341-F351 HydrophobicContact CD1-CD1 4.32Å; L341-F351 PolarHBondContact N-O 3.22Å; L341-F351 PolarHBondContact O-N 2.92Å; L341-I360 HydrophobicContact CD1-CG2 3.82Å
342	V	95.5	Very high	92	Very high	22 Å²	22	39.5 Å²	39.5	13%	0.133	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131.8	170.3	177.8	0	0	0	0	108.1	A329 L330 E332 D350	A329-V342 CarbonylContact C-O 3.54Å; A329-V342 WeakPolarHBondContact CA-O 3.39Å; A329-V342 WeakPolarHBondContact CB-O 3.24Å; L330-V342 PolarHBondContact N-O 2.82Å; L330-V342 PolarHBondContact O-N 3.29Å; E332-V342 HydrophobicContact CB-CG2 4.11Å; E332-V342 WeakPolarHBondContact OE2-CG2 3.48Å; V342-D350 HydrophobicContact CG2-CB 4.26Å
343	Y	93.6	Very high	92.1	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	139.3	-176	-61.7	-61.3	0	0	0	112.2	V317 V318 K320 R327 A329 D345 G347 D349	V317-Y343 HydrophobicContact CG1-CD1 4.21Å; V317-Y343 HydrophobicContact CG1-CE1 3.8Å; V318-Y343 PolarHBondContact O-OH 3.45Å; K320-Y343 HydrophobicContact CG-CE2 4.37Å; K320-Y343 PolarHBondContact N-OH 3.2Å; R327-Y343 VanDerWaalsContact CD-CD1 3.47Å; R327-Y343 HydrophobicContact CG-CD1 3.38Å; R327-Y343 HydrophobicContact CG-CE1 3.44Å; R327-Y343 VanDerWaalsContact CG-CE1 3.44Å; R327-Y343 HydrophobicContact CG-CG 4.21Å; R327-Y343 VanDerWaalsContact CZ-CB 3.4Å; R327-Y343 VanDerWaalsContact CZ-CD2 3.45Å; A329-Y343 HydrophobicContact CB-CD1 3.97Å; Y343-D345 PolarHBondContact O-N 2.72Å; Y343-G347 PolarHBondContact O-N 2.74Å; Y343-D349 HydrophobicContact CD2-CB 4.14Å; Y343-D349 VanDerWaalsContact CD2-O 3.29Å; Y343-D349 WeakPolarHBondContact CD2-O 3.31Å
344	E	89	Confident	92.2	Very high	27 Å²	27	32.1 Å²	32.1	13%	0.126	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.1	-170.8	-176.7	173.9	-99.7	0	0	113.7	R314 V328 S376 V378	R314-E344 IonicContact CZ-OE1 2.67Å; R314-E344 IonicContact NE-OE1 2.78Å; R314-E344 PolarHBondContact NE-OE1 3.34Å; R314-E344 IonicContact NH2-OE1 3.78Å; R314-E344 PolarHBondContact NH2-OE1 2.76Å; R314-E344 IonicContact NH2-OE2 3.24Å; R314-E344 PolarHBondContact NH2-OE2 3.35Å; V328-E344 HydrophobicContact CB-CB 4.24Å; V328-E344 HydrophobicContact CG1-CB 4.22Å; V328-E344 PolarHBondContact O-N 2.7Å; E344-S376 WeakPolarHBondContact OE2-CB 3.45Å; E344-S376 PolarHBondContact OE2-OG 2.74Å; E344-V378 HydrophobicContact CG-CG2 4.17Å
345	D	82.4	Confident	92.2	Very high	56 Å²	56	30.6 Å²	30.6	30%	0.299	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-8.6	-166.7	63.3	-72.3	0	0	0	115.7	R327 Y343 K374	R327-D345 IonicContact CZ-OD1 3.35Å; R327-D345 IonicContact CZ-OD2 2.76Å; R327-D345 IonicContact NE-OD1 2.74Å; R327-D345 PolarHBondContact NE-OD1 2.91Å; R327-D345 IonicContact NH2-OD1 3.45Å; R327-D345 PolarHBondContact NH2-OD1 3.36Å; R327-D345 IonicContact NH2-OD2 2.68Å; R327-D345 PolarHBondContact NH2-OD2 2.77Å; Y343-D345 PolarHBondContact O-N 2.72Å; D345-K374 IonicContact OD2-NZ 3.3Å; D345-K374 PolarHBondContact OD2-NZ 3.16Å
346	D	75.4	Confident	92.2	Very high	61 Å²	61	32.8 Å²	32.8	33%	0.326	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-24.3	172	67.4	46	0	0	0	114.4	R327 L348 D349	R327-D346 IonicContact CZ-OD2 2.65Å; R327-D346 IonicContact NH1-OD2 3.46Å; R327-D346 PolarHBondContact NH1-OD2 3.1Å; R327-D346 IonicContact NH2-OD2 2.76Å; R327-D346 PolarHBondContact NH2-OD2 3.12Å; D346-L348 PolarHBondContact O-N 3.02Å; D346-L348 PolarHBondContact OD1-N 2.65Å; D346-D349 WeakPolarHBondContact OD1-CB 3.39Å; D346-D349 PolarHBondContact OD1-N 3.32Å
347	G	72.7	Confident	92.4	Very high	52 Å²	52	32.9 Å²	32.9	54%	0.536	17%	0.174	S	C	.	.	S	Bend	trans	64	1.1	173.6	0	0	0	0	0	116.2	Y343	Y343-G347 PolarHBondContact O-N 2.74Å
348	L	78.1	Confident	92.3	Very high	163 Å²	163	37.2 Å²	37.2	85%	0.853	20%	0.202	S	C	*	.	S	Bend	trans	-119.7	-26.7	-172.8	-68.8	175.6	0	0	0	112.5	D346	D346-L348 PolarHBondContact O-N 3.02Å; D346-L348 PolarHBondContact OD1-N 2.65Å
349	D	87.5	Confident	92.3	Very high	47 Å²	47	40.2 Å²	40.2	25%	0.251	22%	0.218	S	C	.	.			trans	-101.4	113.8	-170.6	-163.1	30.2	0	0	0	110.1	K320 Y343 D346	K320-D349 WeakPolarHBondContact CE-OD1 3.28Å; K320-D349 WeakPolarHBondContact CE-OD2 3.37Å; K320-D349 VanDerWaalsContact NZ-CG 3.28Å; K320-D349 IonicContact NZ-OD1 3.45Å; K320-D349 PolarHBondContact NZ-OD1 3.08Å; K320-D349 IonicContact NZ-OD2 3.7Å; K320-D349 PolarHBondContact NZ-OD2 2.71Å; Y343-D349 HydrophobicContact CD2-CB 4.14Å; Y343-D349 VanDerWaalsContact CD2-O 3.29Å; Y343-D349 WeakPolarHBondContact CD2-O 3.31Å; D346-D349 WeakPolarHBondContact OD1-CB 3.39Å; D346-D349 PolarHBondContact OD1-N 3.32Å
350	D	92.6	Very high	92.2	Very high	37 Å²	37	40.6 Å²	40.6	20%	0.198	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	157.2	-174.2	77.8	-11.7	0	0	0	113.8	K320 R340 L341 V342 W352	K320-D350 PolarHBondContact NZ-O 2.77Å; R340-D350 HydrophobicContact CG-CB 4.38Å; R340-D350 IonicContact CZ-OD2 2.69Å; R340-D350 IonicContact NE-OD2 3.23Å; R340-D350 PolarHBondContact NE-OD2 3.06Å; R340-D350 IonicContact NH2-OD2 3.41Å; R340-D350 PolarHBondContact NH2-OD2 3.03Å; L341-D350 CarbonylContact O-C 3.44Å; L341-D350 VanDerWaalsContact O-CA 3.29Å; L341-D350 WeakPolarHBondContact O-CA 3.49Å; L341-D350 WeakPolarHBondContact O-CB 3.46Å; V342-D350 HydrophobicContact CG2-CB 4.26Å; D350-W352 PolarHBondContact OD2-NE1 2.94Å
351	F	95.4	Very high	92.3	Very high	26 Å²	26	38.3 Å²	38.3	11%	0.114	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	121.6	178.6	-170.4	-82.5	0	0	0	108.6	V317 V318 K320 L341 C353 L359	V317-F351 HydrophobicContact CG2-CD1 3.72Å; V317-F351 HydrophobicContact CG2-CE1 3.68Å; V317-F351 HydrophobicContact CG2-CE2 4.5Å; V317-F351 HydrophobicContact CG2-CG 4.15Å; V317-F351 HydrophobicContact CG2-CZ 4.1Å; V318-F351 HydrophobicContact CG1-CE2 3.74Å; V318-F351 HydrophobicContact CG1-CZ 3.64Å; K320-F351 HydrophobicContact CB-CD2 4.37Å; K320-F351 HydrophobicContact CB-CE2 4.37Å; K320-F351 HydrophobicContact CD-CD2 4.35Å; L341-F351 HydrophobicContact CB-CB 4.3Å; L341-F351 WeakPolarHBondContact CB-O 3.41Å; L341-F351 HydrophobicContact CD1-CD1 4.32Å; L341-F351 PolarHBondContact N-O 3.22Å; L341-F351 PolarHBondContact O-N 2.92Å; F351-C353 HydrophobicContact CD1-CB 4.29Å; F351-C353 HydrophobicContact CE1-CB 3.9Å; F351-L359 HydrophobicContact CZ-CB 4.47Å; F351-L359 HydrophobicContact CZ-CD1 4.02Å
352	W	98.1	Very high	92.2	Very high	25 Å²	25	40.5 Å²	40.5	10%	0.095	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.9	-178.5	-76.3	87.5	0	0	0	110.5	I335 L339 R340 D350 P528 R529 Y577	I335-W352 HydrophobicContact CD1-CH2 4.06Å; I335-W352 HydrophobicContact CD1-CZ3 4.35Å; L339-W352 WeakPolarHBondContact O-CA 3.25Å; R340-W352 HydrophobicContact CB-CD2 4.15Å; R340-W352 HydrophobicContact CB-CE3 4.13Å; R340-W352 HydrophobicContact CB-CH2 3.78Å; R340-W352 HydrophobicContact CB-CZ2 3.77Å; R340-W352 HydrophobicContact CB-CZ3 3.94Å; R340-W352 HydrophobicContact CG-CD2 4.24Å; R340-W352 HydrophobicContact CG-CH2 4.24Å; R340-W352 HydrophobicContact CG-CZ2 3.69Å; D350-W352 PolarHBondContact OD2-NE1 2.94Å; W352-P528 HydrophobicContact CB-CB 4.06Å; W352-P528 WeakPolarHBondContact CB-O 3.37Å; W352-P528 WeakPolarHBondContact O-CB 3.44Å; W352-R529 HydrophobicContact CG-CB 4.24Å; W352-Y577 HydrophobicContact CE3-CE2 4.22Å; W352-Y577 HydrophobicContact CH2-CE2 4.2Å; W352-Y577 AromaticContact CZ3-CE2 3.66Å; W352-Y577 HydrophobicContact CZ3-CE2 3.66Å; W352-Y577 WeakPolarHBondContact CZ3-OH 3.4Å
353	C	98.4	Very high	92.3	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.027	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	165	178.3	64.5	0	0	0	0	110.8	R338 L339 F351	R338-C353 CarbonylContact C-O 3.45Å; R338-C353 WeakPolarHBondContact CA-O 3.44Å; L339-C353 PolarHBondContact N-O 3.06Å; L339-C353 PolarHBondContact O-N 2.98Å; F351-C353 HydrophobicContact CD1-CB 4.29Å; F351-C353 HydrophobicContact CE1-CB 3.9Å
354	H	98.7	Very high	92.4	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.009	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	155.3	166.9	-164.2	-108.5	0	0	0	111.8	G337 Y356 S357 P564	G337-H354 VanDerWaalsContact C-CD2 3.43Å; G337-H354 PolarHBondContact O-CD2 3.3Å; G337-H354 VanDerWaalsContact O-CD2 3.3Å; H354-Y356 AromaticContact CE1-CD2 3.54Å; H354-Y356 AromaticContact ND1-CD2 3.69Å; H354-Y356 AromaticContact ND1-CG 3.8Å; H354-Y356 PolarHBondContact ND1-N 2.84Å; H354-Y356 PolarHBondContact O-N 3.3Å; H354-Y356 VanDerWaalsContact O-N 3.07Å; H354-S357 WeakPolarHBondContact O-CB 3.33Å; H354-S357 PolarHBondContact O-N 3.46Å; H354-P564 HydrophobicContact CB-CB 3.72Å; H354-P564 HydrophobicContact CB-CG 4.18Å; H354-P564 WeakPolarHBondContact CB-O 3.39Å
355	M	97.7	Very high	92.8	Very high	10 Å²	10	42.6 Å²	42.6	5%	0.049	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-12	173.4	61.6	178.9	176.8	0	0	114.9	F307 F309 G337 L339	F307-M355 HydrophobicContact CB-SD 4.38Å; F307-M355 HydrophobicContact CD1-CE 3.73Å; F307-M355 HydrophobicContact CD1-SD 3.97Å; F307-M355 HydrophobicContact CE1-CE 4.23Å; F309-M355 HydrophobicContact CD2-CB 3.69Å; F309-M355 HydrophobicContact CE2-CB 3.85Å; G337-M355 WeakPolarHBondContact O-CB 3.43Å; G337-M355 WeakPolarHBondContact O-CG 3Å; G337-M355 PolarHBondContact O-N 2.87Å; L339-M355 HydrophobicContact CD1-CB 4.35Å; L339-M355 HydrophobicContact CD2-CB 4.27Å; L339-M355 HydrophobicContact CG-CB 4.27Å
356	Y	97.7	Very high	93.5	Very high	81 Å²	81	39.9 Å²	39.9	32%	0.318	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	16.3	173.8	-54.6	-34.3	0	0	0	112.9	H186 H354 Q394	H186-Y356 HydrophobicContact CB-CD2 3.94Å; H186-Y356 HydrophobicContact CB-CE2 4.21Å; H354-Y356 AromaticContact CE1-CD2 3.54Å; H354-Y356 AromaticContact ND1-CD2 3.69Å; H354-Y356 AromaticContact ND1-CG 3.8Å; H354-Y356 PolarHBondContact ND1-N 2.84Å; H354-Y356 PolarHBondContact O-N 3.3Å; H354-Y356 VanDerWaalsContact O-N 3.07Å; Y356-Q394 HydrophobicContact CD1-CB 4.29Å; Y356-Q394 HydrophobicContact CG-CB 4.47Å
357	S	97.8	Very high	94.5	Very high	8 Å²	8	46 Å²	46	6%	0.056	25%	0.245	C	C	.	.			trans	-63.6	137	176.6	-176.1	0	0	0	0	110.7	H354 L359 I360	H354-S357 WeakPolarHBondContact O-CB 3.33Å; H354-S357 PolarHBondContact O-N 3.46Å; S357-L359 PolarHBondContact O-N 3.27Å; S357-L359 VanDerWaalsContact O-N 3.09Å; S357-L359 PolarHBondContact OG-N 2.95Å; S357-I360 WeakPolarHBondContact O-CG1 3.49Å; S357-I360 PolarHBondContact O-N 2.91Å
358	P	96.1	Very high	95.6	Very high	91 Å²	91	47.2 Å²	47.2	59%	0.591	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	2.4	176.3	32	-37.2	0	0	0	113.5	H361	P358-H361 PolarHBondContact O-CE1 3.29Å; P358-H361 VanDerWaalsContact O-CE1 3.26Å; P358-H361 PolarHBondContact O-NE2 2.83Å
359	L	96.9	Very high	96.5	Very high	63 Å²	63	39.7 Å²	39.7	33%	0.33	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	0	-178.5	-55	178.8	0	0	0	113.5	V317 V318 F351 S357	V317-L359 WeakPolarHBondContact CA-O 3.27Å; V318-L359 HydrophobicContact CG1-CB 4.08Å; V318-L359 HydrophobicContact CG1-CD1 4.31Å; V318-L359 HydrophobicContact CG1-CD2 4.46Å; V318-L359 PolarHBondContact N-O 2.81Å; F351-L359 HydrophobicContact CZ-CB 4.47Å; F351-L359 HydrophobicContact CZ-CD1 4.02Å; S357-L359 PolarHBondContact O-N 3.27Å; S357-L359 VanDerWaalsContact O-N 3.09Å; S357-L359 PolarHBondContact OG-N 2.95Å
360	I	98	Very high	96.9	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.036	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	139.2	-179.5	65.9	170.2	0	0	0	111.4	E316 V317 L339 L341 S357 F393	E316-I360 CarbonylContact O-C 3.5Å; E316-I360 WeakPolarHBondContact O-CA 3.15Å; V317-I360 HydrophobicContact CB-CG2 4.07Å; V317-I360 HydrophobicContact CG2-CG2 3.88Å; L339-I360 HydrophobicContact CD1-CD1 3.75Å; L341-I360 HydrophobicContact CD1-CG2 3.82Å; S357-I360 WeakPolarHBondContact O-CG1 3.49Å; S357-I360 PolarHBondContact O-N 2.91Å; I360-F393 HydrophobicContact CB-CE1 4.29Å; I360-F393 HydrophobicContact CD1-CD1 4.49Å; I360-F393 HydrophobicContact CD1-CE1 4.34Å; I360-F393 HydrophobicContact CG1-CD1 4.15Å; I360-F393 HydrophobicContact CG1-CE1 4.16Å; I360-F393 WeakPolarHBondContact O-CD1 3.17Å
361	H	98.1	Very high	97.1	Very high	20 Å²	20	37.9 Å²	37.9	9%	0.093	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	162.8	-172.8	-45.7	-79.1	0	0	0	111.5	E316 P358 W365 F393	E316-H361 HydrophobicContact CB-CB 4.45Å; E316-H361 PolarHBondContact N-O 3.11Å; E316-H361 PolarHBondContact O-N 2.85Å; P358-H361 PolarHBondContact O-CE1 3.29Å; P358-H361 VanDerWaalsContact O-CE1 3.26Å; P358-H361 PolarHBondContact O-NE2 2.83Å; H361-W365 HydrophobicContact CB-CB 3.65Å; H361-W365 HydrophobicContact CB-CD2 3.56Å; H361-W365 HydrophobicContact CB-CE3 3.75Å; H361-W365 HydrophobicContact CB-CG 3.53Å; H361-W365 AromaticContact CD2-CD2 3.82Å; H361-W365 AromaticContact CD2-CE3 3.4Å; H361-W365 VanDerWaalsContact CD2-CE3 3.4Å; H361-W365 AromaticContact CD2-CH2 3.73Å; H361-W365 AromaticContact CD2-CZ3 3.38Å; H361-W365 WeakPolarHBondContact CD2-CZ3 3.2Å; H361-W365 AromaticContact CE1-CE2 3.8Å; H361-W365 AromaticContact CE1-CH2 3.67Å; H361-W365 AromaticContact CE1-CZ2 3.5Å; H361-W365 AromaticContact CG-CD2 3.36Å; H361-W365 AromaticContact CG-CE2 3.69Å; H361-W365 AromaticContact CG-CE3 3.43Å; H361-W365 VanDerWaalsContact CG-CE3 3.43Å; H361-W365 AromaticContact CG-CG 3.85Å; H361-W365 AromaticContact CG-CZ3 3.84Å; H361-W365 AromaticContact ND1-CD2 3.66Å; H361-W365 AromaticContact ND1-CE2 3.45Å; H361-W365 AromaticContact ND1-CZ2 3.67Å; H361-W365 AromaticContact ND1-NE1 3.85Å; H361-W365 AromaticContact NE2-CH2 3.44Å; H361-W365 WeakPolarHBondContact NE2-CH2 3.42Å; H361-W365 AromaticContact NE2-CZ2 3.78Å; H361-W365 AromaticContact NE2-CZ3 3.59Å; H361-F393 VanDerWaalsContact CA-CE1 3.49Å; H361-F393 WeakPolarHBondContact O-CE1 3.4Å; H361-F393 VanDerWaalsContact O-CZ 3.27Å; H361-F393 WeakPolarHBondContact O-CZ 3.47Å
362	N	97.3	Very high	97.2	Very high	46 Å²	46	42 Å²	42	25%	0.246	22%	0.219	C	C	.	.			trans	-68.1	155.4	173.8	62.3	-90.1	0	0	0	111.7	G364 W365 A390 F393	N362-G364 PolarHBondContact O-N 3.34Å; N362-W365 VanDerWaalsContact O-CB 3.28Å; N362-W365 WeakPolarHBondContact O-CB 3.04Å; N362-W365 PolarHBondContact O-N 3.25Å; N362-W365 VanDerWaalsContact O-N 3.13Å; N362-A390 HydrophobicContact CB-CB 4.03Å; N362-F393 HydrophobicContact CB-CD2 4.06Å; N362-F393 HydrophobicContact CB-CE2 3.7Å; N362-F393 HydrophobicContact CB-CZ 4.3Å
363	I	96.2	Very high	97	Very high	47 Å²	47	44.6 Å²	44.6	24%	0.241	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	131.5	170.8	-54.7	-54.8	0	0	0	109.4	R314 E316 V328 D387	R314-I363 HydrophobicContact CB-CD1 4.08Å; R314-I363 HydrophobicContact CB-CG1 4.27Å; E316-I363 HydrophobicContact CG-CD1 4.14Å; V328-I363 HydrophobicContact CG1-CD1 4.15Å; V328-I363 HydrophobicContact CG2-CD1 4.36Å; I363-D387 HydrophobicContact CB-CB 4.3Å; I363-D387 HydrophobicContact CG1-CB 3.81Å
364	G	95.5	Very high	96.8	Very high	32 Å²	32	47.5 Å²	47.5	33%	0.33	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.7	-18.8	-176.5	0	0	0	0	0	115.2	E316 N362 S366 R367 S368	E316-G364 PolarHBondContact OE1-N 2.86Å; N362-G364 PolarHBondContact O-N 3.34Å; G364-S366 PolarHBondContact O-N 2.72Å; G364-R367 WeakPolarHBondContact O-CB 3.45Å; G364-R367 PolarHBondContact O-N 3.02Å; G364-S368 PolarHBondContact O-N 3.44Å; G364-S368 VanDerWaalsContact O-N 3.07Å
365	W	97.5	Very high	96.2	Very high	16 Å²	16	57.3 Å²	57.3	6%	0.061	28%	0.28	C	S	.	.	H	α-helix	trans	-57.1	-44.8	-174.4	170.2	85.8	0	0	0	113.3	T326 H361 N362 R367 S368 I369 H371 Y436	T326-W365 HydrophobicContact CG2-CE3 4.37Å; T326-W365 HydrophobicContact CG2-CZ3 3.87Å; H361-W365 HydrophobicContact CB-CB 3.65Å; H361-W365 HydrophobicContact CB-CD2 3.56Å; H361-W365 HydrophobicContact CB-CE3 3.75Å; H361-W365 HydrophobicContact CB-CG 3.53Å; H361-W365 AromaticContact CD2-CD2 3.82Å; H361-W365 AromaticContact CD2-CE3 3.4Å; H361-W365 VanDerWaalsContact CD2-CE3 3.4Å; H361-W365 AromaticContact CD2-CH2 3.73Å; H361-W365 AromaticContact CD2-CZ3 3.38Å; H361-W365 WeakPolarHBondContact CD2-CZ3 3.2Å; H361-W365 AromaticContact CE1-CE2 3.8Å; H361-W365 AromaticContact CE1-CH2 3.67Å; H361-W365 AromaticContact CE1-CZ2 3.5Å; H361-W365 AromaticContact CG-CD2 3.36Å; H361-W365 AromaticContact CG-CE2 3.69Å; H361-W365 AromaticContact CG-CE3 3.43Å; H361-W365 VanDerWaalsContact CG-CE3 3.43Å; H361-W365 AromaticContact CG-CG 3.85Å; H361-W365 AromaticContact CG-CZ3 3.84Å; H361-W365 AromaticContact ND1-CD2 3.66Å; H361-W365 AromaticContact ND1-CE2 3.45Å; H361-W365 AromaticContact ND1-CZ2 3.67Å; H361-W365 AromaticContact ND1-NE1 3.85Å; H361-W365 AromaticContact NE2-CH2 3.44Å; H361-W365 WeakPolarHBondContact NE2-CH2 3.42Å; H361-W365 AromaticContact NE2-CZ2 3.78Å; H361-W365 AromaticContact NE2-CZ3 3.59Å; N362-W365 VanDerWaalsContact O-CB 3.28Å; N362-W365 WeakPolarHBondContact O-CB 3.04Å; N362-W365 PolarHBondContact O-N 3.25Å; N362-W365 VanDerWaalsContact O-N 3.13Å; W365-R367 PolarHBondContact O-N 3.33Å; W365-S368 PolarHBondContact O-N 2.9Å; W365-S368 VanDerWaalsContact O-N 3.1Å; W365-S368 PolarHBondContact O-OG 3.08Å; W365-I369 HydrophobicContact CD2-CD1 4.43Å; W365-I369 HydrophobicContact CD2-CG1 4.35Å; W365-I369 HydrophobicContact CH2-CD1 3.56Å; W365-I369 HydrophobicContact CH2-CG1 4.33Å; W365-I369 HydrophobicContact CZ2-CD1 3.21Å; W365-I369 HydrophobicContact CZ2-CG1 4Å; W365-I369 HydrophobicContact CZ3-CD1 4.27Å; W365-I369 PolarHBondContact O-N 3.41Å; W365-H371 HydrophobicContact CZ3-CB 4.24Å; W365-Y436 AromaticContact CZ2-CD1 3.9Å; W365-Y436 HydrophobicContact CZ2-CD1 3.9Å; W365-Y436 HydrophobicContact CZ2-CD2 4.26Å; W365-Y436 AromaticContact CZ2-CE1 3.67Å; W365-Y436 HydrophobicContact CZ2-CE1 3.67Å; W365-Y436 HydrophobicContact CZ2-CE2 4.07Å; W365-Y436 HydrophobicContact CZ2-CG 4.19Å; W365-Y436 AromaticContact CZ2-CZ 3.76Å; W365-Y436 AromaticContact NE1-CE2 3.79Å; W365-Y436 AromaticContact NE1-CZ 3.87Å
366	S	97.5	Very high	95.2	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.6	-31.6	-178.7	-53.3	0	0	0	0	111.7	E316 T326 G364 G370 H371	E316-S366 WeakPolarHBondContact OE2-CB 3.29Å; E316-S366 PolarHBondContact OE2-N 3.22Å; E316-S366 PolarHBondContact OE2-OG 3.12Å; T326-S366 WeakPolarHBondContact CB-OG 3.46Å; T326-S366 WeakPolarHBondContact CG2-OG 3.38Å; T326-S366 PolarHBondContact OG1-OG 3.5Å; G364-S366 PolarHBondContact O-N 2.72Å; S366-G370 PolarHBondContact O-N 3.2Å; S366-H371 PolarHBondContact O-N 3.19Å; S366-H371 VanDerWaalsContact O-O 3.12Å
367	R	96.8	Very high	93.9	Very high	188 Å²	188	61.9 Å²	61.9	71%	0.709	31%	0.314	S	S	*	.	H	α-helix	trans	-74.2	-40.5	176	-172.7	-173.7	-62.1	-151	2.7	111.7	G364 W365 F373	G364-R367 WeakPolarHBondContact O-CB 3.45Å; G364-R367 PolarHBondContact O-N 3.02Å; W365-R367 PolarHBondContact O-N 3.33Å; R367-F373 HydrophobicContact CB-CE1 4.19Å
368	S	96.5	Very high	92.4	Very high	78 Å²	78	64.6 Å²	64.6	55%	0.545	33%	0.33	S	S	.	.	H	α-helix	trans	-66.8	-42.6	-179.7	59.6	0	0	0	0	111.7	G364 W365	G364-S368 PolarHBondContact O-N 3.44Å; G364-S368 VanDerWaalsContact O-N 3.07Å; W365-S368 PolarHBondContact O-N 2.9Å; W365-S368 VanDerWaalsContact O-N 3.1Å; W365-S368 PolarHBondContact O-OG 3.08Å
369	I	95.7	Very high	90.8	Very high	5 Å²	5	66.9 Å²	66.9	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-85.7	-9.2	-178.7	74.8	151.4	0	0	0	114.8	W365 H371 L432 A433 D434 Y436	W365-I369 HydrophobicContact CD2-CD1 4.43Å; W365-I369 HydrophobicContact CD2-CG1 4.35Å; W365-I369 HydrophobicContact CH2-CD1 3.56Å; W365-I369 HydrophobicContact CH2-CG1 4.33Å; W365-I369 HydrophobicContact CZ2-CD1 3.21Å; W365-I369 HydrophobicContact CZ2-CG1 4Å; W365-I369 HydrophobicContact CZ3-CD1 4.27Å; W365-I369 PolarHBondContact O-N 3.41Å; I369-H371 HydrophobicContact CD1-CB 3.98Å; I369-H371 HydrophobicContact CG1-CB 3.87Å; I369-L432 HydrophobicContact CD1-CB 4.31Å; I369-L432 HydrophobicContact CD1-CD1 3.71Å; I369-L432 HydrophobicContact CG1-CD1 4.44Å; I369-L432 WeakPolarHBondContact O-CB 3.18Å; I369-A433 PolarHBondContact O-N 2.78Å; I369-D434 HydrophobicContact CG2-CB 3.94Å; I369-D434 WeakPolarHBondContact CG2-OD2 3.43Å; I369-Y436 HydrophobicContact CD1-CD1 4.37Å; I369-Y436 HydrophobicContact CD1-CD2 3.73Å; I369-Y436 HydrophobicContact CD1-CE2 4.47Å; I369-Y436 HydrophobicContact CD1-CG 3.66Å; I369-Y436 HydrophobicContact CG2-CD2 4.26Å
370	G	96.4	Very high	89.3	Confident	35 Å²	35	72.3 Å²	72.3	36%	0.361	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	26.5	-176.8	0	0	0	0	0	114.7	S366 K430 L432	S366-G370 PolarHBondContact O-N 3.2Å; G370-K430 PolarHBondContact O-NZ 3.46Å; G370-L432 WeakPolarHBondContact O-CD2 3.31Å
371	H	97.6	Very high	87.9	Confident	12 Å²	12	76.9 Å²	76.9	6%	0.056	38%	0.383	C	S	.	.			trans	-76	154.4	170.1	-167.4	-88.6	0	0	0	110.4	C324 W365 S366 I369 L432 M438 C454	C324-H371 PolarHBondContact O-CE1 2.91Å; W365-H371 HydrophobicContact CZ3-CB 4.24Å; S366-H371 PolarHBondContact O-N 3.19Å; S366-H371 VanDerWaalsContact O-O 3.12Å; I369-H371 HydrophobicContact CD1-CB 3.98Å; I369-H371 HydrophobicContact CG1-CB 3.87Å; H371-L432 HydrophobicContact CB-CD1 4.02Å; H371-M438 PolarHBondContact CD2-SD 2.98Å; H371-C454 WeakPolarHBondContact NE2-CB 3.26Å
372	R	96.4	Very high	86.9	Confident	113 Å²	113	78.5 Å²	78.5	43%	0.426	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	144.9	175.1	-50.8	172.1	172	179.8	-4.4	109	C324 R325 T326 D448 G449	C324-R372 WeakPolarHBondContact O-CB 3.44Å; C324-R372 PolarHBondContact SG-NH1 2.68Å; C324-R372 VanDerWaalsContact SG-NH1 3.39Å; R325-R372 WeakPolarHBondContact CA-O 3.36Å; R325-R372 HydrophobicContact CB-CB 3.87Å; R325-R372 WeakPolarHBondContact CB-O 3.44Å; T326-R372 PolarHBondContact N-O 2.99Å; T326-R372 VanDerWaalsContact N-O 3.08Å; T326-R372 PolarHBondContact OG1-O 2.83Å; R372-D448 PolarHBondContact NH1-O 2.76Å; R372-D448 PolarHBondContact NH2-O 3.3Å; R372-G449 PolarHBondContact NH1-O 3.49Å
373	F	95.2	Very high	85.8	Confident	78 Å²	78	85.6 Å²	85.6	34%	0.342	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	143.8	173.8	58.4	-88.9	0	0	0	110.5	T326 R367 R375	T326-F373 CarbonylContact O-C 3.56Å; T326-F373 WeakPolarHBondContact O-CA 3.19Å; T326-F373 WeakPolarHBondContact OG1-CB 3.45Å; R367-F373 HydrophobicContact CB-CE1 4.19Å; F373-R375 HydrophobicContact CE2-CG 4.27Å; F373-R375 PolarHBondContact O-N 3.14Å
374	K	94.1	Very high	85.1	Confident	66 Å²	66	86 Å²	86	29%	0.287	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-68.7	125.4	167.7	-169.1	179.3	177.9	177.4	0	107.9	T326 R327 D345	T326-K374 PolarHBondContact O-N 3.02Å; R327-K374 HydrophobicContact CB-CB 3.86Å; R327-K374 HydrophobicContact CB-CD 4.38Å; D345-K374 IonicContact OD2-NZ 3.3Å; D345-K374 PolarHBondContact OD2-NZ 3.16Å
375	R	86.3	Confident	84.8	Confident	207 Å²	207	86 Å²	86	78%	0.781	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-67.7	133.8	168.9	-64.6	-177.8	-178.4	-179.3	0.4	108	F373	F373-R375 HydrophobicContact CE2-CG 4.27Å; F373-R375 PolarHBondContact O-N 3.14Å
376	S	76.4	Confident	84.7	Confident	47 Å²	47	89.1 Å²	89.1	33%	0.329	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-83.3	132.9	171.2	-171.3	0	0	0	0	108.8	E344 V378	E344-S376 WeakPolarHBondContact OE2-CB 3.45Å; E344-S376 PolarHBondContact OE2-OG 2.74Å; S376-V378 PolarHBondContact O-N 2.88Å; S376-V378 WeakPolarHBondContact OG-CB 3.43Å; S376-V378 PolarHBondContact OG-N 2.67Å
377	D	70.7	Confident	84.6	Confident	140 Å²	140	92 Å²	92	75%	0.749	48%	0.475	S	S	*	.			trans	-78.2	-5.4	173.2	-57.4	-54.5	0	0	0	111.6	T379	D377-T379 PolarHBondContact O-N 3.06Å; D377-T379 VanDerWaalsContact O-N 3.11Å
378	V	66.1	Low	84.7	Confident	66 Å²	66	83.2 Å²	83.2	40%	0.4	44%	0.443	S	S	.	.			trans	-75.7	96	179.7	-178.3	0	0	0	0	110.5	E344 S376 K380	E344-V378 HydrophobicContact CG-CG2 4.17Å; S376-V378 PolarHBondContact O-N 2.88Å; S376-V378 WeakPolarHBondContact OG-CB 3.43Å; S376-V378 PolarHBondContact OG-N 2.67Å; V378-K380 VanDerWaalsContact C-N 3.31Å; V378-K380 WeakPolarHBondContact CG1-O 3.43Å; V378-K380 PolarHBondContact O-N 2.84Å
379	T	60.6	Low	84.7	Confident	139 Å²	139	82.5 Å²	82.5	85%	0.853	44%	0.436	S	S	*	.			trans	-74.7	-13.1	-177.8	49	0	0	0	0	115	D377	D377-T379 PolarHBondContact O-N 3.06Å; D377-T379 VanDerWaalsContact O-N 3.11Å
380	K	66.3	Low	84.7	Confident	176 Å²	176	85 Å²	85	77%	0.765	46%	0.458	S	S	*	.	S	Bend	trans	-139.7	131.5	173.7	-68.2	-176.6	179.2	178.9	0	109.9	V378	V378-K380 VanDerWaalsContact C-N 3.31Å; V378-K380 WeakPolarHBondContact CG1-O 3.43Å; V378-K380 PolarHBondContact O-N 2.84Å
381	K	69.6	Low	84.7	Confident	103 Å²	103	91.7 Å²	91.7	45%	0.448	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-58	142.2	170.7	-58.2	-173.2	-174	-170.9	0	109.7	Q385 D387	K381-Q385 HydrophobicContact CB-CB 4.47Å; K381-D387 IonicContact NZ-OD1 2.76Å; K381-D387 PolarHBondContact NZ-OD1 3.39Å; K381-D387 IonicContact NZ-OD2 2.65Å; K381-D387 PolarHBondContact NZ-OD2 2.88Å
382	A	75.4	Confident	84.6	Confident	55 Å²	55	92.9 Å²	92.9	46%	0.455	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-72.6	158.6	172.9	0	0	0	0	0	110.9	G384 Q385	A382-G384 PolarHBondContact O-N 3.49Å; A382-Q385 HydrophobicContact CB-CG 4.15Å; A382-Q385 WeakPolarHBondContact O-CB 3.37Å; A382-Q385 WeakPolarHBondContact O-CG 3.34Å; A382-Q385 PolarHBondContact O-N 3.11Å; A382-Q385 VanDerWaalsContact O-N 3.16Å
383	E	75.2	Confident	84.6	Confident	195 Å²	195	88.4 Å²	88.4	91%	0.911	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	134.7	-176.7	-167.1	168.1	-160.2	0	0	111.9	Q385	E383-Q385 VanDerWaalsContact C-N 3.28Å; E383-Q385 PolarHBondContact O-N 3.06Å
384	G	81.8	Confident	84.6	Confident	56 Å²	56	89.9 Å²	89.9	58%	0.577	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	-3	-177.2	0	0	0	0	0	116.4	A382	A382-G384 PolarHBondContact O-N 3.49Å
385	Q	89.6	Confident	84.4	Confident	32 Å²	32	95.1 Å²	95.1	15%	0.15	50%	0.501	C	S	.	.			trans	-77.2	132.6	174.9	-64.5	179.6	-17.3	0	0	112.3	R314 L330 K381 A382 E383	R314-Q385 HydrophobicContact CG-CB 4.42Å; L330-Q385 HydrophobicContact CD2-CG 3.92Å; K381-Q385 HydrophobicContact CB-CB 4.47Å; A382-Q385 HydrophobicContact CB-CG 4.15Å; A382-Q385 WeakPolarHBondContact O-CB 3.37Å; A382-Q385 WeakPolarHBondContact O-CG 3.34Å; A382-Q385 PolarHBondContact O-N 3.11Å; A382-Q385 VanDerWaalsContact O-N 3.16Å; E383-Q385 VanDerWaalsContact C-N 3.28Å; E383-Q385 PolarHBondContact O-N 3.06Å
386	V	94.2	Very high	84.5	Confident	80 Å²	80	88.1 Å²	88.1	49%	0.485	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	152.3	176.8	-62.4	0	0	0	0	110.4	L312 M313 R314	L312-V386 PolarHBondContact O-N 2.85Å; M313-V386 CarbonylContact C-O 3.57Å; M313-V386 VanDerWaalsContact CA-O 3.31Å; M313-V386 WeakPolarHBondContact CA-O 3.49Å; M313-V386 HydrophobicContact CG-CG2 3.95Å; R314-V386 PolarHBondContact N-O 2.99Å
387	D	96.3	Very high	84.9	Confident	60 Å²	60	93 Å²	93	32%	0.321	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	138.2	174.4	-58.9	-20	0	0	0	109.5	R314 I363 K381 P389	R314-D387 WeakPolarHBondContact CD-OD1 3.22Å; R314-D387 IonicContact CZ-OD1 3.27Å; R314-D387 IonicContact NH1-OD1 3.06Å; R314-D387 PolarHBondContact NH1-OD1 3.15Å; I363-D387 HydrophobicContact CB-CB 4.3Å; I363-D387 HydrophobicContact CG1-CB 3.81Å; K381-D387 IonicContact NZ-OD1 2.76Å; K381-D387 PolarHBondContact NZ-OD1 3.39Å; K381-D387 IonicContact NZ-OD2 2.65Å; K381-D387 PolarHBondContact NZ-OD2 2.88Å; D387-P389 WeakPolarHBondContact O-CD 3.36Å
388	A	97.3	Very high	85.6	Confident	4 Å²	4	93.8 Å²	93.8	3%	0.033	50%	0.501	C	S	.	.	P	Polyproline II helix	trans	-65.4	125.5	177.4	0	0	0	0	0	110.5	F309 M313 R314 V315 A390 F393	F309-A388 HydrophobicContact CD1-CB 4.42Å; F309-A388 HydrophobicContact CE1-CB 3.91Å; M313-A388 HydrophobicContact CB-CB 4.31Å; M313-A388 HydrophobicContact SD-CB 4.41Å; R314-A388 WeakPolarHBondContact O-CB 3.27Å; R314-A388 PolarHBondContact O-N 3.49Å; V315-A388 HydrophobicContact CG1-CB 3.91Å; A388-A390 PolarHBondContact O-N 3.39Å; A388-F393 HydrophobicContact CB-CE2 3.7Å; A388-F393 HydrophobicContact CB-CZ 3.72Å
389	P	96.9	Very high	86.6	Confident	63 Å²	63	92.2 Å²	92.2	41%	0.409	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-60.1	137	177.4	-24.1	33.6	0	0	0	111.8	D387 Q391 L392	D387-P389 WeakPolarHBondContact O-CD 3.36Å; P389-Q391 PolarHBondContact O-N 2.93Å; P389-L392 HydrophobicContact CB-CG 4.32Å; P389-L392 HydrophobicContact CG-CG 4.48Å; P389-L392 WeakPolarHBondContact O-CB 3.38Å; P389-L392 PolarHBondContact O-N 2.99Å
390	A	95.7	Very high	87.6	Confident	59 Å²	59	90.7 Å²	90.7	49%	0.488	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-55.6	-25.9	-179.7	0	0	0	0	0	113.7	N362 A388 L392 F393	N362-A390 HydrophobicContact CB-CB 4.03Å; A388-A390 PolarHBondContact O-N 3.39Å; A390-L392 PolarHBondContact O-N 3.09Å; A390-F393 PolarHBondContact O-N 3.36Å
391	Q	96.2	Very high	88.5	Confident	175 Å²	175	85.8 Å²	85.8	82%	0.818	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-64.5	-18.3	175.7	-63.6	168.6	-8.7	0	0	114.4	P389	P389-Q391 PolarHBondContact O-N 2.93Å
392	L	96.7	Very high	88.9	Confident	36 Å²	36	85.7 Å²	85.7	19%	0.188	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-84.3	-18	-179.5	-56.4	-164.7	0	0	0	113.5	P308 F309 M313 P389 A390	P308-L392 HydrophobicContact CB-CD1 4.3Å; P308-L392 HydrophobicContact CB-CD2 3.89Å; P308-L392 HydrophobicContact CG-CD2 4.46Å; F309-L392 HydrophobicContact CD1-CD1 4.5Å; F309-L392 HydrophobicContact CD2-CB 4.39Å; F309-L392 HydrophobicContact CE1-CB 4.37Å; F309-L392 HydrophobicContact CE2-CB 3.79Å; F309-L392 WeakPolarHBondContact CE2-O 3.19Å; F309-L392 HydrophobicContact CZ-CB 3.78Å; M313-L392 HydrophobicContact CE-CD1 4.09Å; M313-L392 HydrophobicContact SD-CD1 4.05Å; P389-L392 HydrophobicContact CB-CG 4.32Å; P389-L392 HydrophobicContact CG-CG 4.48Å; P389-L392 WeakPolarHBondContact O-CB 3.38Å; P389-L392 PolarHBondContact O-N 2.99Å; A390-L392 PolarHBondContact O-N 3.09Å
393	F	96.9	Very high	89.3	Confident	20 Å²	20	90.4 Å²	90.4	9%	0.088	48%	0.482	C	S	.	.	S	Bend	trans	-82.9	151.4	-177.5	-64.3	-93.2	0	0	0	110.7	F309 V315 I360 H361 N362 A388 A390 K395	F309-F393 HydrophobicContact CE1-CE1 4.13Å; F309-F393 HydrophobicContact CE1-CE2 4.32Å; F309-F393 AromaticContact CE1-CZ 3.91Å; F309-F393 HydrophobicContact CE1-CZ 3.91Å; F309-F393 HydrophobicContact CZ-CD1 4.12Å; F309-F393 HydrophobicContact CZ-CD2 4.41Å; F309-F393 AromaticContact CZ-CE1 3.94Å; F309-F393 HydrophobicContact CZ-CE1 3.94Å; F309-F393 HydrophobicContact CZ-CE2 4.26Å; F309-F393 HydrophobicContact CZ-CG 4.36Å; F309-F393 HydrophobicContact CZ-CZ 4.03Å; V315-F393 HydrophobicContact CB-CE1 4.42Å; V315-F393 HydrophobicContact CB-CZ 4.25Å; V315-F393 HydrophobicContact CG1-CE1 4.22Å; V315-F393 HydrophobicContact CG1-CZ 3.85Å; I360-F393 HydrophobicContact CB-CE1 4.29Å; I360-F393 HydrophobicContact CD1-CD1 4.49Å; I360-F393 HydrophobicContact CD1-CE1 4.34Å; I360-F393 HydrophobicContact CG1-CD1 4.15Å; I360-F393 HydrophobicContact CG1-CE1 4.16Å; I360-F393 WeakPolarHBondContact O-CD1 3.17Å; H361-F393 VanDerWaalsContact CA-CE1 3.49Å; H361-F393 WeakPolarHBondContact O-CE1 3.4Å; H361-F393 VanDerWaalsContact O-CZ 3.27Å; H361-F393 WeakPolarHBondContact O-CZ 3.47Å; N362-F393 HydrophobicContact CB-CD2 4.06Å; N362-F393 HydrophobicContact CB-CE2 3.7Å; N362-F393 HydrophobicContact CB-CZ 4.3Å; A388-F393 HydrophobicContact CB-CE2 3.7Å; A388-F393 HydrophobicContact CB-CZ 3.72Å; A390-F393 PolarHBondContact O-N 3.36Å; F393-K395 PolarHBondContact O-N 3.37Å
394	Q	93.9	Very high	90	Very high	109 Å²	109	86.9 Å²	86.9	51%	0.509	47%	0.466	S	S	.	.			trans	-60.6	115.4	176.1	177	53.6	55.6	0	0	109.6	Y356 V396	Y356-Q394 HydrophobicContact CD1-CB 4.29Å; Y356-Q394 HydrophobicContact CG-CB 4.47Å; Q394-V396 PolarHBondContact O-N 3.43Å
395	K	90	Very high	90.7	Very high	175 Å²	175	85.8 Å²	85.8	76%	0.761	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-62	126.1	173.7	-71.3	-169.5	176.4	-172	0	109.5	F393	F393-K395 PolarHBondContact O-N 3.37Å
396	V	88.4	Confident	91	Very high	61 Å²	61	84.5 Å²	84.5	37%	0.37	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-84.7	148.9	168.7	-179.9	0	0	0	0	108.1	Q394 H456	Q394-V396 PolarHBondContact O-N 3.43Å; V396-H456 HydrophobicContact CG1-CB 4.33Å; V396-H456 WeakPolarHBondContact CG1-CE1 3.39Å; V396-H456 WeakPolarHBondContact CG1-ND1 3.41Å
397	K	85.9	Confident	91.2	Very high	148 Å²	148	86.7 Å²	86.7	64%	0.643	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-73.2	126	177.9	-178.3	-179.4	178.9	179.8	0	109.7	H456	K397-H456 PolarHBondContact O-CE1 3.29Å
398	D	84.7	Confident	91.2	Very high	157 Å²	157	88.5 Å²	88.5	84%	0.84	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-56.9	140.9	174.9	-54.3	-58.3	0	0	0	111.2
399	V	86.1	Confident	91.2	Very high	33 Å²	33	89.9 Å²	89.9	20%	0.2	47%	0.466	C	S	.	.			trans	-130.9	134.5	-178.9	-69.1	0	0	0	0	110.7	W405 M458	V399-W405 HydrophobicContact CB-CH2 3.74Å; V399-W405 HydrophobicContact CB-CZ3 4.2Å; V399-W405 HydrophobicContact CG1-CH2 4.25Å; V399-W405 HydrophobicContact CG2-CH2 3.6Å; V399-W405 HydrophobicContact CG2-CZ2 3.98Å; V399-W405 HydrophobicContact CG2-CZ3 4.43Å; V399-M458 HydrophobicContact CG1-CE 4.49Å; V399-M458 HydrophobicContact CG1-CG 3.8Å; V399-M458 HydrophobicContact CG1-SD 4.33Å
400	D	83.4	Confident	91.3	Very high	108 Å²	108	87.4 Å²	87.4	58%	0.578	45%	0.449	S	S	*	.			trans	-76.9	126.6	174	-163.9	-20.3	0	0	0	110	S402 W405	D400-S402 VanDerWaalsContact CG-OG 3.32Å; D400-S402 VanDerWaalsContact OD1-CB 3.25Å; D400-S402 WeakPolarHBondContact OD1-CB 3.46Å; D400-S402 PolarHBondContact OD1-N 3.49Å; D400-S402 PolarHBondContact OD1-OG 3.22Å; D400-S402 PolarHBondContact OD2-OG 2.91Å; D400-W405 WeakPolarHBondContact O-CZ3 3.22Å
401	Q	84	Confident	91.4	Very high	73 Å²	73	85.2 Å²	85.2	34%	0.341	43%	0.428	S	S	.	.			trans	-109.1	3.9	-179.1	-64.9	169.9	63	0	0	112	W405 G435	Q401-W405 HydrophobicContact CB-CD2 4.4Å; Q401-W405 HydrophobicContact CB-CG 4.38Å; Q401-W405 HydrophobicContact CG-CD2 3.98Å; Q401-W405 HydrophobicContact CG-CE3 4.44Å; Q401-W405 HydrophobicContact CG-CG 4.33Å; Q401-W405 HydrophobicContact CG-CZ2 4.16Å; Q401-G435 VanDerWaalsContact NE2-N 3.14Å
402	S	79.4	Confident	91.6	Very high	100 Å²	100	76.9 Å²	76.9	70%	0.699	39%	0.389	S	S	*	.	S	Bend	trans	-81.4	-22	-178.8	69.4	0	0	0	0	114	D400	D400-S402 VanDerWaalsContact CG-OG 3.32Å; D400-S402 VanDerWaalsContact OD1-CB 3.25Å; D400-S402 WeakPolarHBondContact OD1-CB 3.46Å; D400-S402 PolarHBondContact OD1-N 3.49Å; D400-S402 PolarHBondContact OD1-OG 3.22Å; D400-S402 PolarHBondContact OD2-OG 2.91Å
403	E	83.6	Confident	91.7	Very high	154 Å²	154	75.2 Å²	75.2	72%	0.72	38%	0.38	S	S	*	.	S	Bend	trans	-83.6	-160	174.7	-61.3	-157.6	152	0	0	112.8	W405	E403-W405 PolarHBondContact O-N 2.81Å
404	E	89.4	Confident	91.7	Very high	122 Å²	122	74.2 Å²	74.2	57%	0.57	38%	0.376	S	S	*	.	S	Bend	trans	-63.1	97.5	168	-77	-177.9	-167.3	0	0	111.3	K503 L504	E404-K503 WeakPolarHBondContact OE2-CE 3.37Å; E404-K503 IonicContact OE2-NZ 2.76Å; E404-K503 PolarHBondContact OE2-NZ 3.2Å; E404-L504 WeakPolarHBondContact O-CD2 3.18Å
405	W	95.6	Very high	91.9	Very high	33 Å²	33	69.2 Å²	69.2	13%	0.125	35%	0.353	C	S	.	.			trans	-97	175.7	176.9	-162.4	-117.7	0	0	0	114	V399 D400 Q401 E403 A457	V399-W405 HydrophobicContact CB-CH2 3.74Å; V399-W405 HydrophobicContact CB-CZ3 4.2Å; V399-W405 HydrophobicContact CG1-CH2 4.25Å; V399-W405 HydrophobicContact CG2-CH2 3.6Å; V399-W405 HydrophobicContact CG2-CZ2 3.98Å; V399-W405 HydrophobicContact CG2-CZ3 4.43Å; D400-W405 WeakPolarHBondContact O-CZ3 3.22Å; Q401-W405 HydrophobicContact CB-CD2 4.4Å; Q401-W405 HydrophobicContact CB-CG 4.38Å; Q401-W405 HydrophobicContact CG-CD2 3.98Å; Q401-W405 HydrophobicContact CG-CE3 4.44Å; Q401-W405 HydrophobicContact CG-CG 4.33Å; Q401-W405 HydrophobicContact CG-CZ2 4.16Å; E403-W405 PolarHBondContact O-N 2.81Å; W405-A457 HydrophobicContact CH2-CB 3.51Å; W405-A457 HydrophobicContact CZ2-CB 3.46Å; W405-A457 VanDerWaalsContact CZ2-CB 3.46Å
406	F	97.4	Very high	92.2	Very high	5 Å²	5	62 Å²	62	2%	0.022	32%	0.323	C	S	.	.			trans	-57.4	151.1	166.5	-74.4	-86.2	0	0	0	111	M410 V428 V431 L437 A457 A500 L504 F505	F406-M410 HydrophobicContact CD1-SD 4.46Å; F406-V428 HydrophobicContact CD1-CG2 4.15Å; F406-V431 HydrophobicContact CB-CG2 4.48Å; F406-V431 WeakPolarHBondContact O-CG2 3.24Å; F406-L437 HydrophobicContact CB-CD1 4.35Å; F406-L437 HydrophobicContact CB-CD2 3.79Å; F406-L437 HydrophobicContact CD1-CD1 4.03Å; F406-L437 HydrophobicContact CD2-CD1 3.81Å; F406-L437 HydrophobicContact CD2-CD2 4.38Å; F406-L437 HydrophobicContact CE1-CD1 4.22Å; F406-L437 HydrophobicContact CE2-CD1 4.01Å; F406-L437 HydrophobicContact CG-CD1 3.81Å; F406-L437 HydrophobicContact CG-CD2 4.15Å; F406-L437 HydrophobicContact CZ-CD1 4.21Å; F406-A457 HydrophobicContact CD2-CB 4.19Å; F406-A457 HydrophobicContact CE2-CB 3.8Å; F406-A500 HydrophobicContact CD1-CB 4.09Å; F406-A500 HydrophobicContact CE1-CB 3.81Å; F406-L504 HydrophobicContact CB-CD1 4.48Å; F406-L504 HydrophobicContact CD1-CD1 3.99Å; F406-L504 HydrophobicContact CD2-CB 4.1Å; F406-L504 HydrophobicContact CD2-CD1 3.9Å; F406-L504 HydrophobicContact CE1-CB 4.24Å; F406-L504 HydrophobicContact CE1-CD1 4.19Å; F406-L504 HydrophobicContact CE2-CB 3.48Å; F406-L504 VanDerWaalsContact CE2-CB 3.48Å; F406-L504 HydrophobicContact CE2-CD1 4.11Å; F406-L504 HydrophobicContact CE2-CG 4.42Å; F406-L504 HydrophobicContact CG-CD1 3.85Å; F406-L504 HydrophobicContact CZ-CB 3.57Å; F406-L504 HydrophobicContact CZ-CD1 4.25Å; F406-F505 HydrophobicContact CE1-CE1 4.32Å; F406-F505 HydrophobicContact CE1-CE2 4.25Å; F406-F505 AromaticContact CE1-CZ 3.92Å; F406-F505 HydrophobicContact CE1-CZ 3.92Å; F406-F505 HydrophobicContact CZ-CE1 4.26Å; F406-F505 HydrophobicContact CZ-CE2 4.37Å; F406-F505 HydrophobicContact CZ-CZ 4.18Å
407	K	97.1	Very high	92.3	Very high	125 Å²	125	61 Å²	61	54%	0.543	32%	0.317	S	S	.	.			trans	-140.7	149.6	-179.2	-57.2	-178.5	-176.5	177.6	0	110.9	G409 M410	K407-G409 PolarHBondContact O-N 3.32Å; K407-M410 HydrophobicContact CB-CE 3.99Å; K407-M410 HydrophobicContact CB-CG 4.3Å; K407-M410 HydrophobicContact CB-SD 4.26Å; K407-M410 HydrophobicContact CD-CE 4.22Å; K407-M410 HydrophobicContact CG-CE 3.97Å; K407-M410 PolarHBondContact N-SD 3.23Å; K407-M410 VanDerWaalsContact O-CB 3.3Å; K407-M410 WeakPolarHBondContact O-CB 3.32Å; K407-M410 VanDerWaalsContact O-CG 3.29Å; K407-M410 WeakPolarHBondContact O-CG 3.39Å; K407-M410 PolarHBondContact O-N 3.45Å; K407-M410 VanDerWaalsContact O-N 3.13Å
408	D	96.9	Very high	92.6	Very high	99 Å²	99	58.8 Å²	58.8	53%	0.529	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	136.8	176.6	-61	-6.6	0	0	0	110.7	M410 K430 V431	D408-M410 VanDerWaalsContact C-N 3.35Å; D408-K430 WeakPolarHBondContact OD1-CA 3.48Å; D408-V431 PolarHBondContact OD1-N 3.48Å
409	G	97.4	Very high	93	Very high	33 Å²	33	54.4 Å²	54.4	34%	0.34	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-9	-175.1	0	0	0	0	0	115.7	K407 K411 V428	K407-G409 PolarHBondContact O-N 3.32Å; G409-K411 PolarHBondContact O-N 3.39Å; G409-V428 PolarHBondContact N-O 3.01Å
410	M	98.6	Very high	93.4	Very high	10 Å²	10	53.9 Å²	53.9	5%	0.049	29%	0.285	C	S	.	.			trans	-62.7	134.9	171.8	-75.5	-175.6	171.3	0	0	111.5	F406 K407 D408 T427 V428 I498 A500	F406-M410 HydrophobicContact CD1-SD 4.46Å; K407-M410 HydrophobicContact CB-CE 3.99Å; K407-M410 HydrophobicContact CB-CG 4.3Å; K407-M410 HydrophobicContact CB-SD 4.26Å; K407-M410 HydrophobicContact CD-CE 4.22Å; K407-M410 HydrophobicContact CG-CE 3.97Å; K407-M410 PolarHBondContact N-SD 3.23Å; K407-M410 VanDerWaalsContact O-CB 3.3Å; K407-M410 WeakPolarHBondContact O-CB 3.32Å; K407-M410 VanDerWaalsContact O-CG 3.29Å; K407-M410 WeakPolarHBondContact O-CG 3.39Å; K407-M410 PolarHBondContact O-N 3.45Å; K407-M410 VanDerWaalsContact O-N 3.13Å; D408-M410 VanDerWaalsContact C-N 3.35Å; M410-T427 WeakPolarHBondContact O-CA 3.47Å; M410-V428 HydrophobicContact CB-CB 4.49Å; M410-V428 HydrophobicContact CB-CG2 4.14Å; M410-V428 PolarHBondContact O-N 2.96Å; M410-I498 WeakPolarHBondContact CA-O 3.29Å; M410-I498 HydrophobicContact CE-CD1 4.04Å; M410-I498 HydrophobicContact CG-CD1 4.24Å; M410-I498 HydrophobicContact CG-CG1 4.15Å; M410-A500 HydrophobicContact CB-CB 4.17Å; M410-A500 HydrophobicContact SD-CB 4.13Å
411	K	98.7	Very high	94	Very high	14 Å²	14	50.1 Å²	50.1	6%	0.061	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	146	175.5	-58.9	-59.5	-174.5	173.3	0	112.3	G409 A426 T427 D442 V465 W488 L492 S497 I498 A500	G409-K411 PolarHBondContact O-N 3.39Å; K411-A426 WeakPolarHBondContact CA-O 3.39Å; K411-T427 HydrophobicContact CD-CG2 4.33Å; K411-T427 VanDerWaalsContact CD-OG1 3.26Å; K411-T427 WeakPolarHBondContact CD-OG1 3.41Å; K411-T427 PolarHBondContact NZ-OG1 2.95Å; K411-D442 IonicContact NZ-OD1 2.72Å; K411-D442 IonicContact NZ-OD2 2.88Å; K411-D442 PolarHBondContact NZ-OD2 3.38Å; K411-V465 HydrophobicContact CB-CG2 4.27Å; K411-V465 WeakPolarHBondContact O-CG2 3.48Å; K411-W488 HydrophobicContact CB-CH2 4.16Å; K411-W488 HydrophobicContact CB-CZ3 3.79Å; K411-W488 HydrophobicContact CG-CZ3 4.31Å; K411-L492 HydrophobicContact CB-CD2 3.91Å; K411-L492 HydrophobicContact CG-CD2 3.64Å; K411-S497 WeakPolarHBondContact CE-OG 3.39Å; K411-I498 PolarHBondContact N-O 2.8Å; K411-A500 PolarHBondContact O-N 3.23Å
412	L	98.8	Very high	94.5	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	179.2	176.4	67.2	146.1	0	0	0	111.2	A414 A426 V428 I439 I462 W488 F505	L412-A414 HydrophobicContact CD1-CB 4.49Å; L412-A426 HydrophobicContact CG-CB 4.29Å; L412-A426 PolarHBondContact N-O 3.29Å; L412-A426 PolarHBondContact O-N 2.63Å; L412-A426 VanDerWaalsContact O-O 3.11Å; L412-V428 HydrophobicContact CD2-CG2 3.68Å; L412-I439 HydrophobicContact CD1-CD1 4.14Å; L412-I462 HydrophobicContact CD1-CB 3.74Å; L412-I462 HydrophobicContact CD1-CG2 3.91Å; L412-W488 WeakPolarHBondContact O-CH2 3.34Å; L412-F505 HydrophobicContact CB-CE1 4.36Å; L412-F505 HydrophobicContact CB-CZ 3.94Å; L412-F505 HydrophobicContact CD1-CE1 4.29Å
413	E	98.8	Very high	95.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	139.5	167.9	-68.3	175.8	-163.7	0	0	109.1	I423 C424 F463 G466 F467 C468 L475 W488	E413-I423 HydrophobicContact CB-CG2 4.1Å; E413-C424 WeakPolarHBondContact CA-O 3.31Å; E413-F463 HydrophobicContact CB-CB 4.18Å; E413-F463 HydrophobicContact CB-CD2 4.36Å; E413-F463 PolarHBondContact N-O 3.48Å; E413-F463 PolarHBondContact O-N 2.91Å; E413-G466 WeakPolarHBondContact OE1-CA 3.42Å; E413-G466 PolarHBondContact OE1-N 2.88Å; E413-F467 PolarHBondContact OE1-N 2.98Å; E413-F467 PolarHBondContact OE2-N 2.66Å; E413-C468 VanDerWaalsContact OE2-CB 3.29Å; E413-C468 WeakPolarHBondContact OE2-CB 3.38Å; E413-C468 PolarHBondContact OE2-N 2.77Å; E413-C468 PolarHBondContact OE2-SG 2.87Å; E413-L475 HydrophobicContact CG-CD1 3.87Å; E413-L475 HydrophobicContact CG-CD2 4.5Å; E413-W488 HydrophobicContact CG-CZ2 3.59Å; E413-W488 PolarHBondContact OE1-NE1 2.67Å
414	A	98.4	Very high	96.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	149.8	179.8	0	0	0	0	0	111.9	L412 I423 C424 A426 I441 S461 I462	L412-A414 HydrophobicContact CD1-CB 4.49Å; A414-I423 CarbonylContact O-C 3.14Å; A414-I423 WeakPolarHBondContact O-CA 3.47Å; A414-C424 PolarHBondContact N-O 3.47Å; A414-C424 PolarHBondContact O-N 3.14Å; A414-A426 HydrophobicContact CB-CB 3.89Å; A414-I441 HydrophobicContact CB-CD1 4.49Å; A414-S461 WeakPolarHBondContact CA-O 3.48Å; A414-I462 HydrophobicContact CB-CG2 4.16Å
415	I	97.8	Very high	96.6	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.015	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	134.2	167.3	-52.5	179.4	0	0	0	108.2	P417 L420 I423 S461 F463 L543 W558	I415-P417 WeakPolarHBondContact O-CD 3.31Å; I415-L420 HydrophobicContact CG2-CB 4.25Å; I415-L420 HydrophobicContact CG2-CG 4.38Å; I415-I423 HydrophobicContact CG1-CG1 4.46Å; I415-S461 PolarHBondContact N-O 2.93Å; I415-F463 HydrophobicContact CD1-CZ 4.26Å; I415-F463 HydrophobicContact CG1-CE2 3.85Å; I415-F463 HydrophobicContact CG1-CZ 4.08Å; I415-L543 HydrophobicContact CD1-CD1 4.09Å; I415-W558 HydrophobicContact CD1-CB 3.98Å; I415-W558 HydrophobicContact CG1-CB 4.45Å
416	D	95.4	Very high	96.7	Very high	24 Å²	24	27.8 Å²	27.8	13%	0.128	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	115.3	175.1	-176.2	-16.1	0	0	0	110	L418 N419 L420 A422 I441	D416-L418 PolarHBondContact O-N 3.28Å; D416-L418 WeakPolarHBondContact OD1-CA 3.39Å; D416-L418 WeakPolarHBondContact OD1-CB 3.41Å; D416-L418 PolarHBondContact OD1-N 2.94Å; D416-N419 HydrophobicContact CB-CB 4.33Å; D416-N419 CarbonylContact O-C 3.58Å; D416-N419 PolarHBondContact O-N 3.49Å; D416-N419 PolarHBondContact OD1-N 3.45Å; D416-L420 PolarHBondContact O-N 2.94Å; D416-A422 PolarHBondContact N-O 2.73Å; D416-A422 VanDerWaalsContact N-O 3.11Å; D416-I441 HydrophobicContact CB-CG1 4.47Å
417	P	91.4	Very high	96.8	Very high	39 Å²	39	27.8 Å²	27.8	25%	0.253	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-12.6	-179.1	30.6	-37.1	0	0	0	113.5	L323 I415 F453	L323-P417 HydrophobicContact CD1-CB 4.43Å; L323-P417 HydrophobicContact CD1-CG 3.88Å; I415-P417 WeakPolarHBondContact O-CD 3.31Å; P417-F453 HydrophobicContact CG-CB 4Å; P417-F453 HydrophobicContact CG-CD1 3.72Å; P417-F453 HydrophobicContact CG-CD2 4.1Å; P417-F453 HydrophobicContact CG-CE1 4.23Å; P417-F453 HydrophobicContact CG-CG 3.66Å
418	L	91.4	Very high	96.8	Very high	102 Å²	102	21.9 Å²	21.9	53%	0.534	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-3.1	172.3	-61.2	176.8	0	0	0	112.5	L323 D416 M526	L323-L418 HydrophobicContact CD1-CD1 4.28Å; L323-L418 HydrophobicContact CD1-CD2 3.89Å; L323-L418 HydrophobicContact CD1-CG 3.91Å; D416-L418 PolarHBondContact O-N 3.28Å; D416-L418 WeakPolarHBondContact OD1-CA 3.39Å; D416-L418 WeakPolarHBondContact OD1-CB 3.41Å; D416-L418 PolarHBondContact OD1-N 2.94Å; L418-M526 WeakPolarHBondContact O-CE 3.41Å
419	N	93.6	Very high	96.8	Very high	65 Å²	65	19.5 Å²	19.5	35%	0.348	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	79.3	175.3	179.6	35.7	0	0	0	111.2	D416 S421 A422	D416-N419 HydrophobicContact CB-CB 4.33Å; D416-N419 CarbonylContact O-C 3.58Å; D416-N419 PolarHBondContact O-N 3.49Å; D416-N419 PolarHBondContact OD1-N 3.45Å; N419-S421 VanDerWaalsContact CG-OG 3.27Å; N419-S421 PolarHBondContact ND2-OG 2.98Å; N419-S421 PolarHBondContact O-N 2.8Å; N419-S421 PolarHBondContact OD1-OG 3.22Å; N419-A422 WeakPolarHBondContact ND2-CB 3.48Å; N419-A422 PolarHBondContact O-N 3.24Å
420	L	94.2	Very high	96.8	Very high	23 Å²	23	22.1 Å²	22.1	12%	0.12	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-2.6	-174.6	-60.5	92.7	0	0	0	114.4	I415 D416 A422 L525 M526 Q557 W558	I415-L420 HydrophobicContact CG2-CB 4.25Å; I415-L420 HydrophobicContact CG2-CG 4.38Å; D416-L420 PolarHBondContact O-N 2.94Å; L420-A422 VanDerWaalsContact C-N 3.27Å; L420-L525 HydrophobicContact CD1-CB 3.95Å; L420-L525 HydrophobicContact CD2-CB 3.77Å; L420-L525 HydrophobicContact CD2-CD1 3.61Å; L420-L525 HydrophobicContact CD2-CG 4.3Å; L420-L525 HydrophobicContact CG-CB 4.46Å; L420-M526 HydrophobicContact CD1-SD 3.77Å; L420-Q557 HydrophobicContact CB-CB 4.27Å; L420-Q557 HydrophobicContact CB-CG 4.11Å; L420-W558 PolarHBondContact O-N 2.87Å
421	S	95.2	Very high	96.7	Very high	28 Å²	28	23.6 Å²	23.6	20%	0.196	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-18.4	166.9	74.9	0	0	0	0	113.4	N419 R545 D556	N419-S421 VanDerWaalsContact CG-OG 3.27Å; N419-S421 PolarHBondContact ND2-OG 2.98Å; N419-S421 PolarHBondContact O-N 2.8Å; N419-S421 PolarHBondContact OD1-OG 3.22Å; S421-R545 PolarHBondContact O-NH1 2.88Å; S421-D556 VanDerWaalsContact CA-O 3.22Å; S421-D556 WeakPolarHBondContact CA-O 3.4Å; S421-D556 WeakPolarHBondContact CB-O 3.29Å
422	A	96.4	Very high	96.6	Very high	7 Å²	7	23.3 Å²	23.3	6%	0.058	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	138.1	-174.6	0	0	0	0	0	112.9	D416 N419 L420	D416-A422 PolarHBondContact N-O 2.73Å; D416-A422 VanDerWaalsContact N-O 3.11Å; N419-A422 WeakPolarHBondContact ND2-CB 3.48Å; N419-A422 PolarHBondContact O-N 3.24Å; L420-A422 VanDerWaalsContact C-N 3.27Å
423	I	98.3	Very high	96.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.4	156.2	-50.7	-176	0	0	0	106.5	E413 A414 I415 F463 F467 I473 T476 L543 W558	E413-I423 HydrophobicContact CB-CG2 4.1Å; A414-I423 CarbonylContact O-C 3.14Å; A414-I423 WeakPolarHBondContact O-CA 3.47Å; I415-I423 HydrophobicContact CG1-CG1 4.46Å; I423-F463 HydrophobicContact CD1-CD2 4.43Å; I423-F463 HydrophobicContact CD1-CE2 3.85Å; I423-F463 HydrophobicContact CD1-CZ 4.37Å; I423-F463 HydrophobicContact CG1-CE2 4.41Å; I423-F463 HydrophobicContact CG2-CD2 3.97Å; I423-F463 HydrophobicContact CG2-CE2 4.03Å; I423-F467 HydrophobicContact CD1-CE1 4.28Å; I423-I473 HydrophobicContact CD1-CD1 3.98Å; I423-I473 HydrophobicContact CD1-CG2 4.06Å; I423-I473 HydrophobicContact CG1-CG2 4.48Å; I423-T476 WeakPolarHBondContact O-CB 3.25Å; I423-T476 PolarHBondContact O-N 3.28Å; I423-L543 HydrophobicContact CD1-CD2 3.91Å; I423-W558 HydrophobicContact CD1-CD2 4.46Å; I423-W558 HydrophobicContact CD1-CG 4.36Å; I423-W558 HydrophobicContact CG1-CG 4.24Å
424	C	98.3	Very high	96.2	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.027	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	155	-167.2	-72.4	0	0	0	0	111.7	E413 A414 A426 I441 T476	E413-C424 WeakPolarHBondContact CA-O 3.31Å; A414-C424 PolarHBondContact N-O 3.47Å; A414-C424 PolarHBondContact O-N 3.14Å; C424-A426 PolarHBondContact O-N 3.03Å; C424-I441 HydrophobicContact CB-CD1 3.72Å; C424-I441 HydrophobicContact CB-CG1 4.25Å; C424-I441 HydrophobicContact CB-CG2 3.76Å; C424-T476 VanDerWaalsContact SG-CB 3.58Å
425	V	98.4	Very high	96.1	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	126.3	165.6	172.6	0	0	0	0	109.6	D442 L475 T476 P478 F486 W488 Y491	V425-D442 HydrophobicContact CG1-CB 4.03Å; V425-D442 PolarHBondContact O-N 3.01Å; V425-L475 HydrophobicContact CG2-CD1 4.2Å; V425-L475 HydrophobicContact CG2-CD2 3.92Å; V425-L475 HydrophobicContact CG2-CG 4.11Å; V425-T476 PolarHBondContact N-O 3.08Å; V425-P478 HydrophobicContact CB-CG 3.89Å; V425-P478 HydrophobicContact CG1-CG 3.72Å; V425-P478 HydrophobicContact CG2-CG 4.28Å; V425-F486 HydrophobicContact CG1-CZ 4.46Å; V425-F486 HydrophobicContact CG2-CE1 3.8Å; V425-F486 HydrophobicContact CG2-CE2 4.12Å; V425-F486 HydrophobicContact CG2-CZ 3.55Å; V425-W488 HydrophobicContact CB-CH2 4.17Å; V425-W488 HydrophobicContact CB-CZ2 4.37Å; V425-W488 HydrophobicContact CG1-CH2 3.58Å; V425-W488 HydrophobicContact CG1-CZ2 4.25Å; V425-W488 HydrophobicContact CG1-CZ3 3.97Å; V425-W488 HydrophobicContact CG2-CH2 4Å; V425-W488 HydrophobicContact CG2-CZ2 3.8Å; V425-Y491 HydrophobicContact CG1-CD1 4.15Å; V425-Y491 HydrophobicContact CG1-CE1 3.7Å
426	A	98.4	Very high	96	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	162.9	-172.2	0	0	0	0	0	112.9	K411 L412 A414 C424 I439 G440 I441	K411-A426 WeakPolarHBondContact CA-O 3.39Å; L412-A426 HydrophobicContact CG-CB 4.29Å; L412-A426 PolarHBondContact N-O 3.29Å; L412-A426 PolarHBondContact O-N 2.63Å; L412-A426 VanDerWaalsContact O-O 3.11Å; A414-A426 HydrophobicContact CB-CB 3.89Å; C424-A426 PolarHBondContact O-N 3.03Å; A426-I439 HydrophobicContact CB-CG2 3.81Å; A426-G440 VanDerWaalsContact CA-O 3.3Å; A426-G440 WeakPolarHBondContact CA-O 3.37Å; A426-G440 WeakPolarHBondContact CB-O 3.35Å; A426-I441 HydrophobicContact CB-CD1 3.81Å
427	T	98.4	Very high	96.2	Very high	6 Å²	6	29.4 Å²	29.4	4%	0.037	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	137.2	-177.2	-57.4	0	0	0	0	111.1	M410 K411 K429 I439 G440 D442	M410-T427 WeakPolarHBondContact O-CA 3.47Å; K411-T427 HydrophobicContact CD-CG2 4.33Å; K411-T427 VanDerWaalsContact CD-OG1 3.26Å; K411-T427 WeakPolarHBondContact CD-OG1 3.41Å; K411-T427 PolarHBondContact NZ-OG1 2.95Å; T427-K429 PolarHBondContact O-N 3.04Å; T427-I439 WeakPolarHBondContact O-CA 3.25Å; T427-G440 PolarHBondContact N-O 2.65Å; T427-G440 PolarHBondContact O-N 3.15Å; T427-G440 VanDerWaalsContact O-N 3.07Å; T427-D442 WeakPolarHBondContact CB-OD1 3.37Å; T427-D442 PolarHBondContact N-OD1 3.2Å; T427-D442 VanDerWaalsContact OG1-CG 3.29Å; T427-D442 PolarHBondContact OG1-OD1 3.09Å; T427-D442 PolarHBondContact OG1-OD2 3.48Å
428	V	98.5	Very high	96.5	Very high	1 Å²	1	28 Å²	28	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	119.3	166.9	-176.4	0	0	0	0	109.1	F406 G409 M410 L412 V431 L437	F406-V428 HydrophobicContact CD1-CG2 4.15Å; G409-V428 PolarHBondContact N-O 3.01Å; M410-V428 HydrophobicContact CB-CB 4.49Å; M410-V428 HydrophobicContact CB-CG2 4.14Å; M410-V428 PolarHBondContact O-N 2.96Å; L412-V428 HydrophobicContact CD2-CG2 3.68Å; V428-V431 HydrophobicContact CG1-CG2 4.29Å; V428-L437 HydrophobicContact CG1-CD2 4.39Å
429	K	97.2	Very high	96.8	Very high	49 Å²	49	23.2 Å²	23.2	21%	0.213	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-31.6	-175.6	-65.2	-71.9	149	162.9	0	113.7	T427 M438 E445 W452	T427-K429 PolarHBondContact O-N 3.04Å; K429-M438 HydrophobicContact CB-CB 4.45Å; K429-M438 PolarHBondContact N-O 2.88Å; K429-E445 WeakPolarHBondContact CD-OE1 3.48Å; K429-E445 WeakPolarHBondContact CE-OE1 3.37Å; K429-E445 IonicContact NZ-OE1 2.7Å; K429-E445 PolarHBondContact NZ-OE1 3.38Å; K429-E445 IonicContact NZ-OE2 3.34Å; K429-E445 PolarHBondContact NZ-OE2 2.87Å; K429-W452 HydrophobicContact CB-CD2 3.64Å; K429-W452 HydrophobicContact CB-CE3 3.72Å; K429-W452 HydrophobicContact CB-CG 4.24Å; K429-W452 HydrophobicContact CB-CH2 3.99Å; K429-W452 HydrophobicContact CB-CZ2 3.91Å; K429-W452 HydrophobicContact CB-CZ3 3.89Å; K429-W452 HydrophobicContact CD-CD2 4.41Å; K429-W452 HydrophobicContact CD-CZ2 3.76Å; K429-W452 HydrophobicContact CG-CD2 3.84Å; K429-W452 HydrophobicContact CG-CE3 4.44Å; K429-W452 HydrophobicContact CG-CG 4.08Å; K429-W452 HydrophobicContact CG-CZ2 4.06Å
430	K	96.8	Very high	97	Very high	87 Å²	87	20.1 Å²	20.1	38%	0.378	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	126.9	175.1	-168.5	-163.5	165.4	-160.7	0	109.7	G370 D408 L432 M438	G370-K430 PolarHBondContact O-NZ 3.46Å; D408-K430 WeakPolarHBondContact OD1-CA 3.48Å; K430-L432 HydrophobicContact CD-CD2 3.64Å; K430-L432 VanDerWaalsContact CE-CD2 3.5Å; K430-L432 HydrophobicContact CG-CD2 4.3Å; K430-M438 HydrophobicContact CB-CB 4.02Å; K430-M438 HydrophobicContact CB-CG 4.13Å; K430-M438 PolarHBondContact N-O 2.88Å; K430-M438 PolarHBondContact O-N 3.27Å
431	V	97.2	Very high	97.1	Very high	41 Å²	41	19.9 Å²	19.9	25%	0.248	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	135.9	163.8	-176.7	0	0	0	0	110.3	F406 D408 V428 L437	F406-V431 HydrophobicContact CB-CG2 4.48Å; F406-V431 WeakPolarHBondContact O-CG2 3.24Å; D408-V431 PolarHBondContact OD1-N 3.48Å; V428-V431 HydrophobicContact CG1-CG2 4.29Å; V431-L437 HydrophobicContact CB-CD2 4.46Å; V431-L437 HydrophobicContact CG1-CD2 4.27Å; V431-L437 HydrophobicContact CG2-CD2 4.1Å
432	L	96.6	Very high	97.1	Very high	8 Å²	8	18.7 Å²	18.7	4%	0.042	10%	0.1	C	C	.	.			trans	-112.1	170.7	173.6	-58.9	-175.3	0	0	0	110	I369 G370 H371 K430 Y436 M438	I369-L432 HydrophobicContact CD1-CB 4.31Å; I369-L432 HydrophobicContact CD1-CD1 3.71Å; I369-L432 HydrophobicContact CG1-CD1 4.44Å; I369-L432 WeakPolarHBondContact O-CB 3.18Å; G370-L432 WeakPolarHBondContact O-CD2 3.31Å; H371-L432 HydrophobicContact CB-CD1 4.02Å; K430-L432 HydrophobicContact CD-CD2 3.64Å; K430-L432 VanDerWaalsContact CE-CD2 3.5Å; K430-L432 HydrophobicContact CG-CD2 4.3Å; L432-Y436 WeakPolarHBondContact CA-O 3.44Å; L432-Y436 WeakPolarHBondContact CB-O 3.4Å; L432-Y436 PolarHBondContact N-O 3.46Å; L432-M438 HydrophobicContact CD1-CG 4.07Å; L432-M438 HydrophobicContact CD1-SD 3.83Å; L432-M438 HydrophobicContact CD2-CG 4.43Å; L432-M438 HydrophobicContact CG-CG 4.25Å
433	A	95.1	Very high	96.9	Very high	38 Å²	38	20.7 Å²	20.7	31%	0.314	12%	0.121	S	C	.	.	S	Bend	trans	-70.5	175.1	171	0	0	0	0	0	111.5	I369 G435 Y436	I369-A433 PolarHBondContact O-N 2.78Å; A433-G435 PolarHBondContact O-N 2.88Å; A433-G435 VanDerWaalsContact O-N 3.08Å; A433-Y436 PolarHBondContact O-N 2.87Å; A433-Y436 VanDerWaalsContact O-N 3.15Å
434	D	93.8	Very high	96.5	Very high	93 Å²	93	22.8 Å²	22.8	50%	0.497	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	34.1	178.7	-51.3	-9.5	0	0	0	113.8	I369 Y436 H456	I369-D434 HydrophobicContact CG2-CB 3.94Å; I369-D434 WeakPolarHBondContact CG2-OD2 3.43Å; D434-Y436 VanDerWaalsContact C-N 3.31Å; D434-Y436 HydrophobicContact CB-CD2 4.05Å; D434-Y436 HydrophobicContact CB-CE2 4.11Å; D434-Y436 WeakPolarHBondContact O-CD2 3.4Å; D434-Y436 WeakPolarHBondContact O-CE2 3.37Å; D434-Y436 PolarHBondContact O-N 3.13Å; D434-H456 PolarHBondContact O-CD2 3.47Å; D434-H456 VanDerWaalsContact O-CD2 3.23Å; D434-H456 PolarHBondContact O-NE2 3.08Å
435	G	94.9	Very high	95.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	6.6	176.1	0	0	0	0	0	116.2	Q401 A433 H456 A457	Q401-G435 VanDerWaalsContact NE2-N 3.14Å; A433-G435 PolarHBondContact O-N 2.88Å; A433-G435 VanDerWaalsContact O-N 3.08Å; G435-H456 PolarHBondContact O-CD2 3.3Å; G435-H456 VanDerWaalsContact O-CD2 3.23Å; G435-A457 WeakPolarHBondContact O-CB 3.43Å; G435-A457 PolarHBondContact O-N 3.1Å
436	Y	97.4	Very high	95.4	Very high	25 Å²	25	26.9 Å²	26.9	10%	0.098	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	149.7	-178.7	-69.2	-88.8	0	0	0	112.9	W365 I369 L432 A433 D434 H456	W365-Y436 AromaticContact CZ2-CD1 3.9Å; W365-Y436 HydrophobicContact CZ2-CD1 3.9Å; W365-Y436 HydrophobicContact CZ2-CD2 4.26Å; W365-Y436 AromaticContact CZ2-CE1 3.67Å; W365-Y436 HydrophobicContact CZ2-CE1 3.67Å; W365-Y436 HydrophobicContact CZ2-CE2 4.07Å; W365-Y436 HydrophobicContact CZ2-CG 4.19Å; W365-Y436 AromaticContact CZ2-CZ 3.76Å; W365-Y436 AromaticContact NE1-CE2 3.79Å; W365-Y436 AromaticContact NE1-CZ 3.87Å; I369-Y436 HydrophobicContact CD1-CD1 4.37Å; I369-Y436 HydrophobicContact CD1-CD2 3.73Å; I369-Y436 HydrophobicContact CD1-CE2 4.47Å; I369-Y436 HydrophobicContact CD1-CG 3.66Å; I369-Y436 HydrophobicContact CG2-CD2 4.26Å; L432-Y436 WeakPolarHBondContact CA-O 3.44Å; L432-Y436 WeakPolarHBondContact CB-O 3.4Å; L432-Y436 PolarHBondContact N-O 3.46Å; A433-Y436 PolarHBondContact O-N 2.87Å; A433-Y436 VanDerWaalsContact O-N 3.15Å; D434-Y436 VanDerWaalsContact C-N 3.31Å; D434-Y436 HydrophobicContact CB-CD2 4.05Å; D434-Y436 HydrophobicContact CB-CE2 4.11Å; D434-Y436 WeakPolarHBondContact O-CD2 3.4Å; D434-Y436 WeakPolarHBondContact O-CE2 3.37Å; D434-Y436 PolarHBondContact O-N 3.13Å; Y436-H456 HydrophobicContact CD1-CB 4.02Å; Y436-H456 HydrophobicContact CE1-CB 3.92Å
437	L	97.9	Very high	94.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	127.1	-175.1	-56.3	172.9	0	0	0	109.4	F406 V428 V431 I439 C454 Y455 A457 I462	F406-L437 HydrophobicContact CB-CD1 4.35Å; F406-L437 HydrophobicContact CB-CD2 3.79Å; F406-L437 HydrophobicContact CD1-CD1 4.03Å; F406-L437 HydrophobicContact CD2-CD1 3.81Å; F406-L437 HydrophobicContact CD2-CD2 4.38Å; F406-L437 HydrophobicContact CE1-CD1 4.22Å; F406-L437 HydrophobicContact CE2-CD1 4.01Å; F406-L437 HydrophobicContact CG-CD1 3.81Å; F406-L437 HydrophobicContact CG-CD2 4.15Å; F406-L437 HydrophobicContact CZ-CD1 4.21Å; V428-L437 HydrophobicContact CG1-CD2 4.39Å; V431-L437 HydrophobicContact CB-CD2 4.46Å; V431-L437 HydrophobicContact CG1-CD2 4.27Å; V431-L437 HydrophobicContact CG2-CD2 4.1Å; L437-I439 HydrophobicContact CB-CD1 4.23Å; L437-I439 HydrophobicContact CB-CG1 4.2Å; L437-C454 WeakPolarHBondContact O-CA 3.35Å; L437-Y455 PolarHBondContact N-O 3.14Å; L437-Y455 PolarHBondContact O-N 3.18Å; L437-A457 HydrophobicContact CD1-CB 4.32Å; L437-I462 HydrophobicContact CD1-CD1 4.36Å
438	M	98	Very high	94.1	Very high	10 Å²	10	40 Å²	40	5%	0.049	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	127.7	162.9	-58.8	-52.9	-56.1	0	0	108.9	C324 H371 K429 K430 L432 W452 F453 C454	C324-M438 HydrophobicContact CB-CE 4.38Å; H371-M438 PolarHBondContact CD2-SD 2.98Å; K429-M438 HydrophobicContact CB-CB 4.45Å; K429-M438 PolarHBondContact N-O 2.88Å; K430-M438 HydrophobicContact CB-CB 4.02Å; K430-M438 HydrophobicContact CB-CG 4.13Å; K430-M438 PolarHBondContact N-O 2.88Å; K430-M438 PolarHBondContact O-N 3.27Å; L432-M438 HydrophobicContact CD1-CG 4.07Å; L432-M438 HydrophobicContact CD1-SD 3.83Å; L432-M438 HydrophobicContact CD2-CG 4.43Å; L432-M438 HydrophobicContact CG-CG 4.25Å; M438-W452 HydrophobicContact CB-CE3 4.36Å; M438-W452 HydrophobicContact CE-CB 4Å; M438-F453 WeakPolarHBondContact CA-O 3.46Å; M438-C454 HydrophobicContact CE-CB 4.31Å; M438-C454 HydrophobicContact SD-CB 3.86Å
439	I	98	Very high	93.5	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.7	-176.9	-63.4	165.5	0	0	0	108.8	L412 A426 T427 L437 W452 F453 Y455 I462	L412-I439 HydrophobicContact CD1-CD1 4.14Å; A426-I439 HydrophobicContact CB-CG2 3.81Å; T427-I439 WeakPolarHBondContact O-CA 3.25Å; L437-I439 HydrophobicContact CB-CD1 4.23Å; L437-I439 HydrophobicContact CB-CG1 4.2Å; I439-W452 CarbonylContact O-C 3.47Å; I439-W452 VanDerWaalsContact O-CA 3.27Å; I439-W452 WeakPolarHBondContact O-CA 3.47Å; I439-F453 HydrophobicContact CB-CD2 4.28Å; I439-F453 HydrophobicContact CB-CE2 3.76Å; I439-F453 HydrophobicContact CB-CZ 3.97Å; I439-F453 HydrophobicContact CG2-CE1 4.4Å; I439-F453 HydrophobicContact CG2-CE2 3.74Å; I439-F453 HydrophobicContact CG2-CZ 3.56Å; I439-F453 PolarHBondContact N-O 2.76Å; I439-F453 VanDerWaalsContact O-CD1 3.31Å; I439-F453 WeakPolarHBondContact O-CD1 3.27Å; I439-F453 WeakPolarHBondContact O-CE1 3.48Å; I439-F453 PolarHBondContact O-N 2.77Å; I439-Y455 HydrophobicContact CD1-CD2 4.28Å; I439-I462 HydrophobicContact CD1-CG2 3.81Å
440	G	97.1	Very high	93.1	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	149	172.3	0	0	0	0	0	111.8	A426 T427	A426-G440 VanDerWaalsContact CA-O 3.3Å; A426-G440 WeakPolarHBondContact CA-O 3.37Å; A426-G440 WeakPolarHBondContact CB-O 3.35Å; T427-G440 PolarHBondContact N-O 2.65Å; T427-G440 PolarHBondContact O-N 3.15Å; T427-G440 VanDerWaalsContact O-N 3.07Å
441	I	97.2	Very high	92.7	Very high	17 Å²	17	36.6 Å²	36.6	9%	0.087	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	121	173	-63	-44.8	0	0	0	110.3	A414 D416 C424 A426 G443 S444 E445 F453	A414-I441 HydrophobicContact CB-CD1 4.49Å; D416-I441 HydrophobicContact CB-CG1 4.47Å; C424-I441 HydrophobicContact CB-CD1 3.72Å; C424-I441 HydrophobicContact CB-CG1 4.25Å; C424-I441 HydrophobicContact CB-CG2 3.76Å; A426-I441 HydrophobicContact CB-CD1 3.81Å; I441-G443 PolarHBondContact O-N 3.25Å; I441-S444 PolarHBondContact O-N 3.42Å; I441-S444 VanDerWaalsContact O-N 3.08Å; I441-E445 WeakPolarHBondContact O-CG 3.39Å; I441-F453 HydrophobicContact CD1-CE1 3.96Å; I441-F453 HydrophobicContact CD1-CZ 3.67Å; I441-F453 HydrophobicContact CG1-CE1 3.84Å; I441-F453 HydrophobicContact CG1-CZ 4.09Å
442	D	96.1	Very high	92.6	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.021	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	123.4	-168.3	-74.9	25.7	0	0	0	112.6	K411 V425 T427 S444 P478 K479 Y491	K411-D442 IonicContact NZ-OD1 2.72Å; K411-D442 IonicContact NZ-OD2 2.88Å; K411-D442 PolarHBondContact NZ-OD2 3.38Å; V425-D442 HydrophobicContact CG1-CB 4.03Å; V425-D442 PolarHBondContact O-N 3.01Å; T427-D442 WeakPolarHBondContact CB-OD1 3.37Å; T427-D442 PolarHBondContact N-OD1 3.2Å; T427-D442 VanDerWaalsContact OG1-CG 3.29Å; T427-D442 PolarHBondContact OG1-OD1 3.09Å; T427-D442 PolarHBondContact OG1-OD2 3.48Å; D442-S444 VanDerWaalsContact C-N 3.27Å; D442-S444 PolarHBondContact O-N 3.48Å; D442-P478 HydrophobicContact CB-CB 3.95Å; D442-P478 HydrophobicContact CB-CG 4.07Å; D442-P478 VanDerWaalsContact O-CA 3.28Å; D442-P478 WeakPolarHBondContact O-CA 3.42Å; D442-K479 PolarHBondContact O-N 3.18Å; D442-K479 VanDerWaalsContact O-N 3.15Å; D442-Y491 WeakPolarHBondContact OD2-CE1 3.31Å; D442-Y491 PolarHBondContact OD2-OH 3.47Å
443	G	91.2	Very high	92.5	Very high	48 Å²	48	37.5 Å²	37.5	50%	0.495	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	-7.4	-179.6	0	0	0	0	0	115.4	I441	I441-G443 PolarHBondContact O-N 3.25Å
444	S	89.1	Confident	92.6	Very high	44 Å²	44	37 Å²	37	31%	0.308	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-24.9	165.6	-83.5	0	0	0	0	113.2	I441 D442 K479	I441-S444 PolarHBondContact O-N 3.42Å; I441-S444 VanDerWaalsContact O-N 3.08Å; D442-S444 VanDerWaalsContact C-N 3.27Å; D442-S444 PolarHBondContact O-N 3.48Å; S444-K479 VanDerWaalsContact OG-CD 3.27Å; S444-K479 WeakPolarHBondContact OG-CD 3.41Å; S444-K479 PolarHBondContact OG-NZ 2.86Å
445	E	86.6	Confident	92.8	Very high	61 Å²	61	33.9 Å²	33.9	29%	0.285	19%	0.192	S	C	.	.			trans	-47.4	138.9	-169.5	-55.9	-171.6	69.1	0	0	116.7	K429 I441 D451 W452	K429-E445 WeakPolarHBondContact CD-OE1 3.48Å; K429-E445 WeakPolarHBondContact CE-OE1 3.37Å; K429-E445 IonicContact NZ-OE1 2.7Å; K429-E445 PolarHBondContact NZ-OE1 3.38Å; K429-E445 IonicContact NZ-OE2 3.34Å; K429-E445 PolarHBondContact NZ-OE2 2.87Å; I441-E445 WeakPolarHBondContact O-CG 3.39Å; E445-D451 WeakPolarHBondContact CA-OD2 3.5Å; E445-W452 PolarHBondContact OE1-NE1 2.85Å; E445-W452 VanDerWaalsContact OE1-NE1 3.15Å
446	A	87.1	Confident	92.9	Very high	32 Å²	32	34.7 Å²	34.7	26%	0.264	20%	0.196	S	C	.	.			trans	-80.9	148.1	166.8	0	0	0	0	0	112	D448 G449 S450 D451	A446-D448 VanDerWaalsContact CB-OD1 3.31Å; A446-D448 WeakPolarHBondContact CB-OD1 3.44Å; A446-D448 PolarHBondContact O-N 3.2Å; A446-G449 PolarHBondContact O-N 3.04Å; A446-S450 VanDerWaalsContact CB-OG 3.24Å; A446-S450 WeakPolarHBondContact CB-OG 3.28Å; A446-D451 WeakPolarHBondContact CB-OD1 3.46Å; A446-D451 VanDerWaalsContact N-CG 3.32Å; A446-D451 PolarHBondContact N-OD1 3.42Å; A446-D451 PolarHBondContact N-OD2 2.94Å
447	I	83.3	Confident	92.8	Very high	185 Å²	185	33.6 Å²	33.6	95%	0.949	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-25.8	-174	-58.7	173.4	0	0	0	112.4
448	D	86.6	Confident	92.6	Very high	97 Å²	97	35.7 Å²	35.7	52%	0.519	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-1.5	175.9	63.2	-14.3	0	0	0	113.6	R372 A446 S450	R372-D448 PolarHBondContact NH1-O 2.76Å; R372-D448 PolarHBondContact NH2-O 3.3Å; A446-D448 VanDerWaalsContact CB-OD1 3.31Å; A446-D448 WeakPolarHBondContact CB-OD1 3.44Å; A446-D448 PolarHBondContact O-N 3.2Å; D448-S450 VanDerWaalsContact C-N 3.26Å; D448-S450 PolarHBondContact O-N 3Å; D448-S450 WeakPolarHBondContact OD1-CB 3.49Å; D448-S450 PolarHBondContact OD1-N 2.99Å; D448-S450 PolarHBondContact OD1-OG 3.46Å; D448-S450 WeakPolarHBondContact OD2-CB 3.37Å; D448-S450 PolarHBondContact OD2-OG 3.34Å
449	G	86.9	Confident	92.6	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.01	21%	0.206	C	C	.	.			trans	61.4	32.9	-171	0	0	0	0	0	112.9	C324 R372 A446 D451 W452	C324-G449 WeakPolarHBondContact CB-O 3.2Å; R372-G449 PolarHBondContact NH1-O 3.49Å; A446-G449 PolarHBondContact O-N 3.04Å; G449-D451 PolarHBondContact O-N 2.96Å; G449-W452 PolarHBondContact O-N 3.44Å
450	S	88.4	Confident	92.4	Very high	25 Å²	25	38 Å²	38	18%	0.175	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-23.9	177.6	45.2	0	0	0	0	113.9	Y322 L323 C324 A446 D448	Y322-S450 CarbonylContact C-O 3.51Å; L323-S450 PolarHBondContact N-O 2.84Å; C324-S450 PolarHBondContact N-O 2.84Å; A446-S450 VanDerWaalsContact CB-OG 3.24Å; A446-S450 WeakPolarHBondContact CB-OG 3.28Å; D448-S450 VanDerWaalsContact C-N 3.26Å; D448-S450 PolarHBondContact O-N 3Å; D448-S450 WeakPolarHBondContact OD1-CB 3.49Å; D448-S450 PolarHBondContact OD1-N 2.99Å; D448-S450 PolarHBondContact OD1-OG 3.46Å; D448-S450 WeakPolarHBondContact OD2-CB 3.37Å; D448-S450 PolarHBondContact OD2-OG 3.34Å
451	D	88.9	Confident	92.4	Very high	39 Å²	39	39.2 Å²	39.2	21%	0.209	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	3.1	-178	66.8	-26.3	0	0	0	114.2	E445 A446 G449	E445-D451 WeakPolarHBondContact CA-OD2 3.5Å; A446-D451 WeakPolarHBondContact CB-OD1 3.46Å; A446-D451 VanDerWaalsContact N-CG 3.32Å; A446-D451 PolarHBondContact N-OD1 3.42Å; A446-D451 PolarHBondContact N-OD2 2.94Å; G449-D451 PolarHBondContact O-N 2.96Å
452	W	94.3	Very high	92.5	Very high	54 Å²	54	38.8 Å²	38.8	21%	0.205	22%	0.224	C	C	.	.			trans	-60.8	138.4	166.2	-62	-6.1	0	0	0	109.6	L323 C324 K429 M438 I439 E445 G449	L323-W452 CarbonylContact C-O 3.51Å; C324-W452 WeakPolarHBondContact CA-O 3.42Å; C324-W452 HydrophobicContact CB-CB 4.29Å; C324-W452 WeakPolarHBondContact CB-O 3.24Å; C324-W452 PolarHBondContact N-O 2.85Å; K429-W452 HydrophobicContact CB-CD2 3.64Å; K429-W452 HydrophobicContact CB-CE3 3.72Å; K429-W452 HydrophobicContact CB-CG 4.24Å; K429-W452 HydrophobicContact CB-CH2 3.99Å; K429-W452 HydrophobicContact CB-CZ2 3.91Å; K429-W452 HydrophobicContact CB-CZ3 3.89Å; K429-W452 HydrophobicContact CD-CD2 4.41Å; K429-W452 HydrophobicContact CD-CZ2 3.76Å; K429-W452 HydrophobicContact CG-CD2 3.84Å; K429-W452 HydrophobicContact CG-CE3 4.44Å; K429-W452 HydrophobicContact CG-CG 4.08Å; K429-W452 HydrophobicContact CG-CZ2 4.06Å; M438-W452 HydrophobicContact CB-CE3 4.36Å; M438-W452 HydrophobicContact CE-CB 4Å; I439-W452 CarbonylContact O-C 3.47Å; I439-W452 VanDerWaalsContact O-CA 3.27Å; I439-W452 WeakPolarHBondContact O-CA 3.47Å; E445-W452 PolarHBondContact OE1-NE1 2.85Å; E445-W452 VanDerWaalsContact OE1-NE1 3.15Å; G449-W452 PolarHBondContact O-N 3.44Å
453	F	95.2	Very high	92.6	Very high	13 Å²	13	39.3 Å²	39.3	6%	0.057	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	152.9	-178.5	49.7	-85.3	0	0	0	110.7	L323 P417 M438 I439 I441 Y455	L323-F453 HydrophobicContact CB-CB 4.35Å; L323-F453 HydrophobicContact CD1-CB 4.34Å; P417-F453 HydrophobicContact CG-CB 4Å; P417-F453 HydrophobicContact CG-CD1 3.72Å; P417-F453 HydrophobicContact CG-CD2 4.1Å; P417-F453 HydrophobicContact CG-CE1 4.23Å; P417-F453 HydrophobicContact CG-CG 3.66Å; M438-F453 WeakPolarHBondContact CA-O 3.46Å; I439-F453 HydrophobicContact CB-CD2 4.28Å; I439-F453 HydrophobicContact CB-CE2 3.76Å; I439-F453 HydrophobicContact CB-CZ 3.97Å; I439-F453 HydrophobicContact CG2-CE1 4.4Å; I439-F453 HydrophobicContact CG2-CE2 3.74Å; I439-F453 HydrophobicContact CG2-CZ 3.56Å; I439-F453 PolarHBondContact N-O 2.76Å; I439-F453 VanDerWaalsContact O-CD1 3.31Å; I439-F453 WeakPolarHBondContact O-CD1 3.27Å; I439-F453 WeakPolarHBondContact O-CE1 3.48Å; I439-F453 PolarHBondContact O-N 2.77Å; I441-F453 HydrophobicContact CD1-CE1 3.96Å; I441-F453 HydrophobicContact CD1-CZ 3.67Å; I441-F453 HydrophobicContact CG1-CE1 3.84Å; I441-F453 HydrophobicContact CG1-CZ 4.09Å; F453-Y455 AromaticContact CD2-CD2 3.74Å; F453-Y455 HydrophobicContact CD2-CD2 3.74Å; F453-Y455 AromaticContact CD2-CE2 3.67Å; F453-Y455 HydrophobicContact CD2-CE2 3.67Å; F453-Y455 AromaticContact CE2-CD2 3.66Å; F453-Y455 HydrophobicContact CE2-CD2 3.66Å; F453-Y455 AromaticContact CE2-CE2 3.51Å; F453-Y455 HydrophobicContact CE2-CE2 3.51Å
454	C	97.5	Very high	92.9	Very high	27 Å²	27	38.1 Å²	38.1	18%	0.182	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	127.8	-178.8	-168.2	0	0	0	0	111	H371 L437 M438	H371-C454 WeakPolarHBondContact NE2-CB 3.26Å; L437-C454 WeakPolarHBondContact O-CA 3.35Å; M438-C454 HydrophobicContact CE-CB 4.31Å; M438-C454 HydrophobicContact SD-CB 3.86Å
455	Y	97.3	Very high	93.4	Very high	29 Å²	29	37.7 Å²	37.7	11%	0.114	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146	163.4	-79.2	-50.4	0	0	0	110	L437 I439 F453 S459 S461 I462	L437-Y455 PolarHBondContact N-O 3.14Å; L437-Y455 PolarHBondContact O-N 3.18Å; I439-Y455 HydrophobicContact CD1-CD2 4.28Å; F453-Y455 AromaticContact CD2-CD2 3.74Å; F453-Y455 HydrophobicContact CD2-CD2 3.74Å; F453-Y455 AromaticContact CD2-CE2 3.67Å; F453-Y455 HydrophobicContact CD2-CE2 3.67Å; F453-Y455 AromaticContact CE2-CD2 3.66Å; F453-Y455 HydrophobicContact CE2-CD2 3.66Å; F453-Y455 AromaticContact CE2-CE2 3.51Å; F453-Y455 HydrophobicContact CE2-CE2 3.51Å; Y455-S459 WeakPolarHBondContact CD1-OG 3.34Å; Y455-S461 WeakPolarHBondContact OH-CB 3.32Å; Y455-I462 HydrophobicContact CD2-CG2 3.49Å; Y455-I462 VanDerWaalsContact CD2-CG2 3.49Å; Y455-I462 HydrophobicContact CE2-CG2 4.15Å; Y455-I462 HydrophobicContact CG-CG2 4.1Å
456	H	97.1	Very high	93.9	Very high	17 Å²	17	35.2 Å²	35.2	8%	0.079	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	149.5	165.2	-174.9	-110.1	0	0	0	110.6	V396 K397 D434 G435 Y436 M458 S459	V396-H456 HydrophobicContact CG1-CB 4.33Å; V396-H456 WeakPolarHBondContact CG1-CE1 3.39Å; V396-H456 WeakPolarHBondContact CG1-ND1 3.41Å; K397-H456 PolarHBondContact O-CE1 3.29Å; D434-H456 PolarHBondContact O-CD2 3.47Å; D434-H456 VanDerWaalsContact O-CD2 3.23Å; D434-H456 PolarHBondContact O-NE2 3.08Å; G435-H456 PolarHBondContact O-CD2 3.3Å; G435-H456 VanDerWaalsContact O-CD2 3.23Å; Y436-H456 HydrophobicContact CD1-CB 4.02Å; Y436-H456 HydrophobicContact CE1-CB 3.92Å; H456-M458 WeakPolarHBondContact ND1-CB 3.29Å; H456-M458 PolarHBondContact ND1-N 3.44Å; H456-M458 VanDerWaalsContact ND1-N 3.18Å; H456-M458 PolarHBondContact O-N 3.01Å; H456-M458 VanDerWaalsContact O-N 3.14Å; H456-S459 WeakPolarHBondContact O-CB 3.17Å; H456-S459 PolarHBondContact O-N 2.72Å
457	A	95.8	Very high	94.4	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.008	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.3	178.4	0	0	0	0	0	114.3	W405 F406 G435 L437 S459	W405-A457 HydrophobicContact CH2-CB 3.51Å; W405-A457 HydrophobicContact CZ2-CB 3.46Å; W405-A457 VanDerWaalsContact CZ2-CB 3.46Å; F406-A457 HydrophobicContact CD2-CB 4.19Å; F406-A457 HydrophobicContact CE2-CB 3.8Å; G435-A457 WeakPolarHBondContact O-CB 3.43Å; G435-A457 PolarHBondContact O-N 3.1Å; L437-A457 HydrophobicContact CD1-CB 4.32Å; A457-S459 VanDerWaalsContact C-N 3.34Å
458	M	94	Very high	95.1	Very high	45 Å²	45	26.1 Å²	26.1	22%	0.222	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	9.8	174.5	-57.6	-71.8	95.4	0	0	113.9	V399 H456 L504 N506	V399-M458 HydrophobicContact CG1-CE 4.49Å; V399-M458 HydrophobicContact CG1-CG 3.8Å; V399-M458 HydrophobicContact CG1-SD 4.33Å; H456-M458 WeakPolarHBondContact ND1-CB 3.29Å; H456-M458 PolarHBondContact ND1-N 3.44Å; H456-M458 VanDerWaalsContact ND1-N 3.18Å; H456-M458 PolarHBondContact O-N 3.01Å; H456-M458 VanDerWaalsContact O-N 3.14Å; M458-L504 WeakPolarHBondContact CE-O 3.22Å; M458-N506 HydrophobicContact SD-CB 4.2Å
459	S	96.1	Very high	95.6	Very high	19 Å²	19	28.5 Å²	28.5	13%	0.133	15%	0.152	C	C	.	.			trans	-63.6	133.3	178.7	178.2	0	0	0	0	111.4	Y455 H456 A457 S461 I462	Y455-S459 WeakPolarHBondContact CD1-OG 3.34Å; H456-S459 WeakPolarHBondContact O-CB 3.17Å; H456-S459 PolarHBondContact O-N 2.72Å; A457-S459 VanDerWaalsContact C-N 3.34Å; S459-S461 PolarHBondContact O-N 3.32Å; S459-S461 PolarHBondContact OG-N 3.39Å; S459-I462 WeakPolarHBondContact O-CG1 3.42Å
460	P	95.8	Very high	96.1	Very high	40 Å²	40	34.9 Å²	34.9	26%	0.26	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-0.9	174.2	32.8	-36.5	0	0	0	113.6	F463 D560	P460-F463 WeakPolarHBondContact O-CE1 3.02Å; P460-F463 VanDerWaalsContact O-CZ 3.27Å; P460-F463 WeakPolarHBondContact O-CZ 3.33Å; P460-D560 HydrophobicContact CB-CB 3.79Å; P460-D560 VanDerWaalsContact CB-CG 3.46Å; P460-D560 WeakPolarHBondContact CB-OD1 3.43Å; P460-D560 HydrophobicContact CG-CB 3.56Å
461	S	97.1	Very high	96.5	Very high	25 Å²	25	35.2 Å²	35.2	18%	0.175	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	1.4	177.7	-55.2	0	0	0	0	114.2	A414 I415 Y455 S459	A414-S461 WeakPolarHBondContact CA-O 3.48Å; I415-S461 PolarHBondContact N-O 2.93Å; Y455-S461 WeakPolarHBondContact OH-CB 3.32Å; S459-S461 PolarHBondContact O-N 3.32Å; S459-S461 PolarHBondContact OG-N 3.39Å
462	I	98.1	Very high	96.9	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.041	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	140.4	177.4	62.8	171.3	0	0	0	111.2	L412 A414 L437 I439 Y455 S459 F505	L412-I462 HydrophobicContact CD1-CB 3.74Å; L412-I462 HydrophobicContact CD1-CG2 3.91Å; A414-I462 HydrophobicContact CB-CG2 4.16Å; L437-I462 HydrophobicContact CD1-CD1 4.36Å; I439-I462 HydrophobicContact CD1-CG2 3.81Å; Y455-I462 HydrophobicContact CD2-CG2 3.49Å; Y455-I462 VanDerWaalsContact CD2-CG2 3.49Å; Y455-I462 HydrophobicContact CE2-CG2 4.15Å; Y455-I462 HydrophobicContact CG-CG2 4.1Å; S459-I462 WeakPolarHBondContact O-CG1 3.42Å; I462-F505 HydrophobicContact CB-CE1 4.35Å; I462-F505 HydrophobicContact CD1-CE1 4.41Å; I462-F505 HydrophobicContact CG1-CD1 4.3Å; I462-F505 HydrophobicContact CG1-CE1 4.29Å
463	F	98.4	Very high	97.1	Very high	15 Å²	15	37.9 Å²	37.9	7%	0.066	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	151.9	-170.2	-39.6	-79.4	0	0	0	111.5	E413 I415 I423 P460 F467 F505 L543	E413-F463 HydrophobicContact CB-CB 4.18Å; E413-F463 HydrophobicContact CB-CD2 4.36Å; E413-F463 PolarHBondContact N-O 3.48Å; E413-F463 PolarHBondContact O-N 2.91Å; I415-F463 HydrophobicContact CD1-CZ 4.26Å; I415-F463 HydrophobicContact CG1-CE2 3.85Å; I415-F463 HydrophobicContact CG1-CZ 4.08Å; I423-F463 HydrophobicContact CD1-CD2 4.43Å; I423-F463 HydrophobicContact CD1-CE2 3.85Å; I423-F463 HydrophobicContact CD1-CZ 4.37Å; I423-F463 HydrophobicContact CG1-CE2 4.41Å; I423-F463 HydrophobicContact CG2-CD2 3.97Å; I423-F463 HydrophobicContact CG2-CE2 4.03Å; P460-F463 WeakPolarHBondContact O-CE1 3.02Å; P460-F463 VanDerWaalsContact O-CZ 3.27Å; P460-F463 WeakPolarHBondContact O-CZ 3.33Å; F463-F467 HydrophobicContact CB-CB 3.64Å; F463-F467 HydrophobicContact CB-CD1 3.64Å; F463-F467 HydrophobicContact CB-CD2 4.22Å; F463-F467 HydrophobicContact CB-CE1 4.34Å; F463-F467 HydrophobicContact CB-CG 3.57Å; F463-F467 AromaticContact CD1-CD1 3.83Å; F463-F467 HydrophobicContact CD1-CD1 3.83Å; F463-F467 HydrophobicContact CD1-CD2 4.28Å; F463-F467 AromaticContact CD1-CE1 3.63Å; F463-F467 HydrophobicContact CD1-CE1 3.63Å; F463-F467 HydrophobicContact CD1-CE2 4.11Å; F463-F467 HydrophobicContact CD1-CG 4.16Å; F463-F467 AromaticContact CD1-CZ 3.78Å; F463-F467 HydrophobicContact CD1-CZ 3.78Å; F463-F467 AromaticContact CD2-CD1 3.96Å; F463-F467 HydrophobicContact CD2-CD1 3.96Å; F463-F467 HydrophobicContact CD2-CE1 4.12Å; F463-F467 HydrophobicContact CE1-CD1 4.5Å; F463-F467 AromaticContact CE1-CE1 3.89Å; F463-F467 HydrophobicContact CE1-CE1 3.89Å; F463-F467 AromaticContact CE1-CZ 3.99Å; F463-F467 HydrophobicContact CE1-CZ 3.99Å; F463-F467 HydrophobicContact CE2-CE1 4.36Å; F463-F467 HydrophobicContact CG-CB 4.48Å; F463-F467 AromaticContact CG-CD1 3.52Å; F463-F467 HydrophobicContact CG-CD1 3.52Å; F463-F467 HydrophobicContact CG-CD2 4.47Å; F463-F467 AromaticContact CG-CE1 3.76Å; F463-F467 HydrophobicContact CG-CE1 3.76Å; F463-F467 AromaticContact CG-CG 3.92Å; F463-F467 HydrophobicContact CG-CG 3.92Å; F463-F467 HydrophobicContact CG-CZ 4.34Å; F463-F467 HydrophobicContact CZ-CE1 4.25Å; F463-F505 WeakPolarHBondContact O-CE1 3.34Å; F463-L543 HydrophobicContact CE1-CD2 4.2Å; F463-L543 HydrophobicContact CZ-CD1 4.12Å; F463-L543 HydrophobicContact CZ-CD2 3.82Å
464	P	98.3	Very high	97.1	Very high	24 Å²	24	45.5 Å²	45.5	16%	0.156	24%	0.238	C	C	.	.			trans	-65.1	153.8	174.1	28	-35	0	0	0	111.9	G466 F467 V502 F505	P464-G466 PolarHBondContact O-N 2.86Å; P464-F467 HydrophobicContact CG-CB 4.47Å; P464-F467 VanDerWaalsContact O-CB 3.25Å; P464-F467 WeakPolarHBondContact O-CB 3.38Å; P464-F467 PolarHBondContact O-N 3.21Å; P464-F467 VanDerWaalsContact O-N 3.07Å; P464-V502 HydrophobicContact CB-CB 4.46Å; P464-V502 HydrophobicContact CB-CG1 4.42Å; P464-V502 HydrophobicContact CB-CG2 3.98Å; P464-V502 HydrophobicContact CG-CG1 4.33Å; P464-F505 HydrophobicContact CB-CD2 3.84Å; P464-F505 HydrophobicContact CB-CE2 3.84Å; P464-F505 HydrophobicContact CB-CG 4.4Å; P464-F505 HydrophobicContact CB-CZ 4.4Å; P464-F505 HydrophobicContact CG-CD2 4.37Å
465	V	98.6	Very high	97.1	Very high	34 Å²	34	45.6 Å²	45.6	21%	0.206	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	125.7	171.1	164.6	0	0	0	0	111	K411 W488 A499	K411-V465 HydrophobicContact CB-CG2 4.27Å; K411-V465 WeakPolarHBondContact O-CG2 3.48Å; V465-W488 HydrophobicContact CB-CD2 4.37Å; V465-W488 HydrophobicContact CG1-CB 3.85Å; V465-W488 HydrophobicContact CG1-CD2 3.52Å; V465-W488 HydrophobicContact CG1-CE3 3.96Å; V465-W488 HydrophobicContact CG1-CG 3.49Å; V465-W488 VanDerWaalsContact CG1-CG 3.49Å; V465-W488 HydrophobicContact CG2-CD2 4.21Å; V465-W488 HydrophobicContact CG2-CE3 4.11Å; V465-W488 HydrophobicContact CG2-CH2 3.83Å; V465-W488 HydrophobicContact CG2-CZ2 3.97Å; V465-W488 HydrophobicContact CG2-CZ3 3.93Å; V465-A499 HydrophobicContact CB-CB 3.8Å; V465-A499 HydrophobicContact CG1-CB 4.24Å; V465-A499 HydrophobicContact CG2-CB 3.6Å
466	G	97.1	Very high	97.2	Very high	9 Å²	9	46.9 Å²	46.9	9%	0.093	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.7	-3.3	-178.9	0	0	0	0	0	114.6	E413 P464 C468 E469 I470	E413-G466 WeakPolarHBondContact OE1-CA 3.42Å; E413-G466 PolarHBondContact OE1-N 2.88Å; P464-G466 PolarHBondContact O-N 2.86Å; G466-C468 VanDerWaalsContact C-N 3.34Å; G466-C468 PolarHBondContact O-N 2.6Å; G466-E469 PolarHBondContact O-N 3.33Å; G466-I470 WeakPolarHBondContact O-CD1 3.49Å; G466-I470 VanDerWaalsContact O-CG1 3.29Å; G466-I470 WeakPolarHBondContact O-CG1 3.5Å; G466-I470 PolarHBondContact O-N 3.35Å
467	F	98.1	Very high	97.1	Very high	26 Å²	26	48.3 Å²	48.3	11%	0.114	26%	0.258	C	S	.	.	H	α-helix	trans	-55.8	-45.9	179.3	169.5	-97.9	0	0	0	112.5	E413 I423 F463 P464 N471 I473 V540 L543	E413-F467 PolarHBondContact OE1-N 2.98Å; E413-F467 PolarHBondContact OE2-N 2.66Å; I423-F467 HydrophobicContact CD1-CE1 4.28Å; F463-F467 HydrophobicContact CB-CB 3.64Å; F463-F467 HydrophobicContact CB-CD1 3.64Å; F463-F467 HydrophobicContact CB-CD2 4.22Å; F463-F467 HydrophobicContact CB-CE1 4.34Å; F463-F467 HydrophobicContact CB-CG 3.57Å; F463-F467 AromaticContact CD1-CD1 3.83Å; F463-F467 HydrophobicContact CD1-CD1 3.83Å; F463-F467 HydrophobicContact CD1-CD2 4.28Å; F463-F467 AromaticContact CD1-CE1 3.63Å; F463-F467 HydrophobicContact CD1-CE1 3.63Å; F463-F467 HydrophobicContact CD1-CE2 4.11Å; F463-F467 HydrophobicContact CD1-CG 4.16Å; F463-F467 AromaticContact CD1-CZ 3.78Å; F463-F467 HydrophobicContact CD1-CZ 3.78Å; F463-F467 AromaticContact CD2-CD1 3.96Å; F463-F467 HydrophobicContact CD2-CD1 3.96Å; F463-F467 HydrophobicContact CD2-CE1 4.12Å; F463-F467 HydrophobicContact CE1-CD1 4.5Å; F463-F467 AromaticContact CE1-CE1 3.89Å; F463-F467 HydrophobicContact CE1-CE1 3.89Å; F463-F467 AromaticContact CE1-CZ 3.99Å; F463-F467 HydrophobicContact CE1-CZ 3.99Å; F463-F467 HydrophobicContact CE2-CE1 4.36Å; F463-F467 HydrophobicContact CG-CB 4.48Å; F463-F467 AromaticContact CG-CD1 3.52Å; F463-F467 HydrophobicContact CG-CD1 3.52Å; F463-F467 HydrophobicContact CG-CD2 4.47Å; F463-F467 AromaticContact CG-CE1 3.76Å; F463-F467 HydrophobicContact CG-CE1 3.76Å; F463-F467 AromaticContact CG-CG 3.92Å; F463-F467 HydrophobicContact CG-CG 3.92Å; F463-F467 HydrophobicContact CG-CZ 4.34Å; F463-F467 HydrophobicContact CZ-CE1 4.25Å; P464-F467 HydrophobicContact CG-CB 4.47Å; P464-F467 VanDerWaalsContact O-CB 3.25Å; P464-F467 WeakPolarHBondContact O-CB 3.38Å; P464-F467 PolarHBondContact O-N 3.21Å; P464-F467 VanDerWaalsContact O-N 3.07Å; F467-N471 WeakPolarHBondContact CD2-ND2 3.45Å; F467-N471 WeakPolarHBondContact CE2-ND2 3.48Å; F467-N471 WeakPolarHBondContact O-CB 3.45Å; F467-N471 PolarHBondContact O-N 3.07Å; F467-N471 VanDerWaalsContact O-N 3.1Å; F467-N471 PolarHBondContact O-ND2 3.26Å; F467-I473 HydrophobicContact CD1-CD1 4.45Å; F467-I473 HydrophobicContact CE1-CD1 3.76Å; F467-I473 HydrophobicContact CZ-CD1 4.37Å; F467-V540 HydrophobicContact CE2-CG1 4.41Å; F467-V540 HydrophobicContact CZ-CG1 3.96Å; F467-L543 HydrophobicContact CE1-CD2 4.18Å; F467-L543 HydrophobicContact CZ-CD2 4.32Å
468	C	98.2	Very high	97.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-42	178	-72.2	0	0	0	0	112.5	E413 G466 N471 N472 I473 L475	E413-C468 VanDerWaalsContact OE2-CB 3.29Å; E413-C468 WeakPolarHBondContact OE2-CB 3.38Å; E413-C468 PolarHBondContact OE2-N 2.77Å; E413-C468 PolarHBondContact OE2-SG 2.87Å; G466-C468 VanDerWaalsContact C-N 3.34Å; G466-C468 PolarHBondContact O-N 2.6Å; C468-N471 PolarHBondContact O-N 2.98Å; C468-N472 PolarHBondContact O-N 3.47Å; C468-I473 HydrophobicContact CB-CB 3.94Å; C468-I473 HydrophobicContact CB-CG2 4.42Å; C468-I473 PolarHBondContact O-N 2.95Å; C468-L475 HydrophobicContact CB-CB 3.8Å; C468-L475 HydrophobicContact CB-CD1 4.44Å
469	E	97	Very high	97.1	Very high	147 Å²	147	53.4 Å²	53.4	69%	0.687	28%	0.28	S	S	*	.	H	α-helix	trans	-63.1	-49.1	179.6	-175	169.9	-163.7	0	0	111	G466 N471 N472	G466-E469 PolarHBondContact O-N 3.33Å; E469-N471 VanDerWaalsContact C-N 3.28Å; E469-N471 PolarHBondContact O-N 3.02Å; E469-N472 PolarHBondContact O-N 3.09Å
470	I	97.4	Very high	96.9	Very high	136 Å²	136	55.9 Å²	55.9	70%	0.697	31%	0.309	S	S	*	.	H	α-helix	trans	-59.6	-39.2	177.3	-67.2	164.6	0	0	0	111.5	G466	G466-I470 WeakPolarHBondContact O-CD1 3.49Å; G466-I470 VanDerWaalsContact O-CG1 3.29Å; G466-I470 WeakPolarHBondContact O-CG1 3.5Å; G466-I470 PolarHBondContact O-N 3.35Å
471	N	97	Very high	96.7	Very high	32 Å²	32	56 Å²	56	17%	0.171	30%	0.304	C	S	.	.	H	α-helix	trans	-93.4	2.2	-174.9	-72	-74.9	0	0	0	114.7	F467 C468 E469 I473 R538 V540	F467-N471 WeakPolarHBondContact CD2-ND2 3.45Å; F467-N471 WeakPolarHBondContact CE2-ND2 3.48Å; F467-N471 WeakPolarHBondContact O-CB 3.45Å; F467-N471 PolarHBondContact O-N 3.07Å; F467-N471 VanDerWaalsContact O-N 3.1Å; F467-N471 PolarHBondContact O-ND2 3.26Å; C468-N471 PolarHBondContact O-N 2.98Å; E469-N471 VanDerWaalsContact C-N 3.28Å; E469-N471 PolarHBondContact O-N 3.02Å; N471-I473 HydrophobicContact CB-CD1 4.29Å; N471-I473 HydrophobicContact CB-CG1 4.28Å; N471-R538 PolarHBondContact O-NH2 3.44Å; N471-V540 HydrophobicContact CB-CG1 3.64Å; N471-V540 VanDerWaalsContact CG-CG1 3.45Å; N471-V540 WeakPolarHBondContact OD1-CG1 3.46Å
472	N	97.2	Very high	96.6	Very high	135 Å²	135	60.7 Å²	60.7	72%	0.722	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	42.1	-173.4	-56.9	-90	0	0	0	113.6	C468 E469 R538	C468-N472 PolarHBondContact O-N 3.47Å; E469-N472 PolarHBondContact O-N 3.09Å; N472-R538 PolarHBondContact O-NH1 3.31Å; N472-R538 PolarHBondContact O-NH2 2.63Å
473	I	97.4	Very high	96.3	Very high	13 Å²	13	65.5 Å²	65.5	7%	0.067	35%	0.353	C	S	.	.			trans	-96.5	142.9	170.4	-58.8	171.8	0	0	0	108.6	I423 F467 C468 N471 L475 V540 L543 W558	I423-I473 HydrophobicContact CD1-CD1 3.98Å; I423-I473 HydrophobicContact CD1-CG2 4.06Å; I423-I473 HydrophobicContact CG1-CG2 4.48Å; F467-I473 HydrophobicContact CD1-CD1 4.45Å; F467-I473 HydrophobicContact CE1-CD1 3.76Å; F467-I473 HydrophobicContact CZ-CD1 4.37Å; C468-I473 HydrophobicContact CB-CB 3.94Å; C468-I473 HydrophobicContact CB-CG2 4.42Å; C468-I473 PolarHBondContact O-N 2.95Å; N471-I473 HydrophobicContact CB-CD1 4.29Å; N471-I473 HydrophobicContact CB-CG1 4.28Å; I473-L475 PolarHBondContact O-N 3.07Å; I473-L475 VanDerWaalsContact O-N 3.13Å; I473-V540 HydrophobicContact CD1-CG1 4.3Å; I473-V540 HydrophobicContact CD1-CG2 4.28Å; I473-L543 HydrophobicContact CD1-CD2 4.44Å; I473-W558 HydrophobicContact CB-CZ2 4.38Å; I473-W558 HydrophobicContact CD1-CH2 3.96Å; I473-W558 HydrophobicContact CD1-CZ2 3.98Å; I473-W558 HydrophobicContact CG1-CH2 4.02Å; I473-W558 HydrophobicContact CG1-CZ2 3.9Å; I473-W558 HydrophobicContact CG2-CZ2 3.66Å
474	E	96.6	Very high	96	Very high	173 Å²	173	70.5 Å²	70.5	81%	0.808	38%	0.379	S	S	*	.			trans	-71.9	104.2	171.5	-174.1	170.8	-172.6	0	0	110.1
475	L	97.8	Very high	95.8	Very high	30 Å²	30	74.5 Å²	74.5	16%	0.157	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	121.8	171.4	-179.8	62.7	0	0	0	109.7	E413 V425 C468 I473 P477 F486 W488	E413-L475 HydrophobicContact CG-CD1 3.87Å; E413-L475 HydrophobicContact CG-CD2 4.5Å; V425-L475 HydrophobicContact CG2-CD1 4.2Å; V425-L475 HydrophobicContact CG2-CD2 3.92Å; V425-L475 HydrophobicContact CG2-CG 4.11Å; C468-L475 HydrophobicContact CB-CB 3.8Å; C468-L475 HydrophobicContact CB-CD1 4.44Å; I473-L475 PolarHBondContact O-N 3.07Å; I473-L475 VanDerWaalsContact O-N 3.13Å; L475-P477 WeakPolarHBondContact O-CD 3.26Å; L475-F486 HydrophobicContact CD2-CD1 4.02Å; L475-F486 HydrophobicContact CD2-CE1 3.83Å; L475-W488 HydrophobicContact CD2-CZ2 4.32Å
476	T	97.4	Very high	95.7	Very high	55 Å²	55	74.5 Å²	74.5	34%	0.337	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	117.5	173.5	-65	0	0	0	0	109.7	I423 C424 V425	I423-T476 WeakPolarHBondContact O-CB 3.25Å; I423-T476 PolarHBondContact O-N 3.28Å; C424-T476 VanDerWaalsContact SG-CB 3.58Å; V425-T476 PolarHBondContact N-O 3.08Å
477	P	96.9	Very high	95.7	Very high	47 Å²	47	79.7 Å²	79.7	31%	0.305	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-76.1	162.4	-177.4	33	-36.8	0	0	0	111.8	L475 K479 L484 F486	L475-P477 WeakPolarHBondContact O-CD 3.26Å; P477-K479 PolarHBondContact O-N 2.89Å; P477-L484 HydrophobicContact CG-CD2 4.3Å; P477-F486 HydrophobicContact CB-CB 3.83Å; P477-F486 HydrophobicContact CB-CD2 3.99Å; P477-F486 HydrophobicContact CB-CG 4.01Å
478	P	96	Very high	95.7	Very high	10 Å²	10	79.1 Å²	79.1	7%	0.065	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-55.1	136.3	-179.5	-25.1	34.3	0	0	0	112.1	V425 D442 G480 Y481 F486 Y491	V425-P478 HydrophobicContact CB-CG 3.89Å; V425-P478 HydrophobicContact CG1-CG 3.72Å; V425-P478 HydrophobicContact CG2-CG 4.28Å; D442-P478 HydrophobicContact CB-CB 3.95Å; D442-P478 HydrophobicContact CB-CG 4.07Å; D442-P478 VanDerWaalsContact O-CA 3.28Å; D442-P478 WeakPolarHBondContact O-CA 3.42Å; P478-G480 PolarHBondContact O-N 2.73Å; P478-G480 VanDerWaalsContact O-N 3.08Å; P478-Y481 WeakPolarHBondContact O-CB 3.04Å; P478-Y481 PolarHBondContact O-N 3.09Å; P478-F486 HydrophobicContact CG-CE2 4.05Å; P478-Y491 HydrophobicContact CB-CE2 4.43Å; P478-Y491 HydrophobicContact CG-CD2 4.44Å; P478-Y491 HydrophobicContact CG-CE1 3.98Å; P478-Y491 HydrophobicContact CG-CE2 3.82Å
479	K	92.8	Very high	95.7	Very high	143 Å²	143	86.5 Å²	86.5	62%	0.622	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	112.9	-170.7	178.5	177.1	170.1	-169	0	111.2	D442 S444 P477	D442-K479 PolarHBondContact O-N 3.18Å; D442-K479 VanDerWaalsContact O-N 3.15Å; S444-K479 VanDerWaalsContact OG-CD 3.27Å; S444-K479 WeakPolarHBondContact OG-CD 3.41Å; S444-K479 PolarHBondContact OG-NZ 2.86Å; P477-K479 PolarHBondContact O-N 2.89Å
480	G	91.1	Very high	95.7	Very high	71 Å²	71	81.6 Å²	81.6	73%	0.732	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.6	-0.5	-175.3	0	0	0	0	0	114.8	P478	P478-G480 PolarHBondContact O-N 2.73Å; P478-G480 VanDerWaalsContact O-N 3.08Å
481	Y	93.4	Very high	95.7	Very high	42 Å²	42	76.2 Å²	76.2	17%	0.165	40%	0.402	C	S	.	.			trans	-64.4	133.9	170.5	-163.3	-111.8	0	0	0	110.7	P478 K483 F486 Y491 E494	P478-Y481 WeakPolarHBondContact O-CB 3.04Å; P478-Y481 PolarHBondContact O-N 3.09Å; Y481-K483 HydrophobicContact CD1-CB 4.41Å; Y481-K483 WeakPolarHBondContact CD1-O 3.45Å; Y481-K483 HydrophobicContact CE1-CB 3.7Å; Y481-K483 WeakPolarHBondContact CE1-O 3.3Å; Y481-F486 AromaticContact CD1-CD2 3.78Å; Y481-F486 HydrophobicContact CD1-CD2 3.78Å; Y481-F486 AromaticContact CE1-CD2 3.73Å; Y481-F486 HydrophobicContact CE1-CD2 3.73Å; Y481-F486 HydrophobicContact CE1-CE2 4.37Å; Y481-Y491 HydrophobicContact CD2-CD2 4.14Å; Y481-Y491 HydrophobicContact CD2-CE2 4.16Å; Y481-Y491 AromaticContact CE2-CD2 3.68Å; Y481-Y491 HydrophobicContact CE2-CD2 3.68Å; Y481-Y491 HydrophobicContact CE2-CE2 4.1Å; Y481-E494 PolarHBondContact OH-OE2 3.32Å
482	T	93.3	Very high	95.8	Very high	124 Å²	124	76.2 Å²	76.2	76%	0.761	40%	0.402	S	S	*	.			trans	-110.4	-14.6	-168.9	53.1	0	0	0	0	114.5	L484	T482-L484 PolarHBondContact O-N 3.17Å
483	K	92.4	Very high	95.8	Very high	110 Å²	110	76.4 Å²	76.4	48%	0.478	39%	0.392	S	S	.	.	S	Bend	trans	-86.4	97.9	179.1	-65.1	168.2	-178.8	167.2	0	108.4	Y481 E494	Y481-K483 HydrophobicContact CD1-CB 4.41Å; Y481-K483 WeakPolarHBondContact CD1-O 3.45Å; Y481-K483 HydrophobicContact CE1-CB 3.7Å; Y481-K483 WeakPolarHBondContact CE1-O 3.3Å; K483-E494 IonicContact NZ-OE1 3.81Å; K483-E494 PolarHBondContact NZ-OE1 3.14Å; K483-E494 IonicContact NZ-OE2 3.42Å; K483-E494 PolarHBondContact NZ-OE2 2.75Å
484	L	92.7	Very high	95.8	Very high	119 Å²	119	79.7 Å²	79.7	62%	0.623	41%	0.407	S	S	*	.	S	Bend	trans	-116.1	141.7	-178.3	-62.2	178.6	0	0	0	110.7	P477 T482	P477-L484 HydrophobicContact CG-CD2 4.3Å; T482-L484 PolarHBondContact O-N 3.17Å
485	P	93.9	Very high	95.8	Very high	108 Å²	108	73.9 Å²	73.9	70%	0.701	38%	0.384	S	S	*	.	S	Bend	cis	-64.5	148	-3.4	29.5	-36.2	0	0	0	112.2
486	F	96.9	Very high	95.7	Very high	35 Å²	35	76.1 Å²	76.1	15%	0.154	41%	0.414	C	S	.	.			trans	-63.7	144.3	177.7	171.3	-90.2	0	0	0	110.4	V425 L475 P477 P478 Y481 W488 Y491	V425-F486 HydrophobicContact CG1-CZ 4.46Å; V425-F486 HydrophobicContact CG2-CE1 3.8Å; V425-F486 HydrophobicContact CG2-CE2 4.12Å; V425-F486 HydrophobicContact CG2-CZ 3.55Å; L475-F486 HydrophobicContact CD2-CD1 4.02Å; L475-F486 HydrophobicContact CD2-CE1 3.83Å; P477-F486 HydrophobicContact CB-CB 3.83Å; P477-F486 HydrophobicContact CB-CD2 3.99Å; P477-F486 HydrophobicContact CB-CG 4.01Å; P478-F486 HydrophobicContact CG-CE2 4.05Å; Y481-F486 AromaticContact CD1-CD2 3.78Å; Y481-F486 HydrophobicContact CD1-CD2 3.78Å; Y481-F486 AromaticContact CE1-CD2 3.73Å; Y481-F486 HydrophobicContact CE1-CD2 3.73Å; Y481-F486 HydrophobicContact CE1-CE2 4.37Å; F486-W488 AromaticContact CE1-CD2 3.78Å; F486-W488 HydrophobicContact CE1-CD2 3.78Å; F486-W488 AromaticContact CE1-CE2 3.96Å; F486-W488 HydrophobicContact CE1-CE3 4.33Å; F486-W488 AromaticContact CE1-CG 3.86Å; F486-W488 HydrophobicContact CE1-CG 3.86Å; F486-W488 AromaticContact CZ-CD2 3.94Å; F486-W488 HydrophobicContact CZ-CD2 3.94Å; F486-W488 HydrophobicContact CZ-CE3 4Å; F486-W488 HydrophobicContact CZ-CG 4.37Å; F486-W488 HydrophobicContact CZ-CZ3 4.45Å; F486-Y491 AromaticContact CE2-CD1 3.95Å; F486-Y491 HydrophobicContact CE2-CD1 3.95Å; F486-Y491 AromaticContact CE2-CD2 3.97Å; F486-Y491 HydrophobicContact CE2-CD2 3.97Å; F486-Y491 AromaticContact CE2-CG 3.56Å; F486-Y491 HydrophobicContact CE2-CG 3.56Å; F486-Y491 AromaticContact CZ-CD1 3.95Å; F486-Y491 HydrophobicContact CZ-CD1 3.95Å; F486-Y491 AromaticContact CZ-CG 3.9Å; F486-Y491 HydrophobicContact CZ-CG 3.9Å
487	K	96.8	Very high	95.8	Very high	117 Å²	117	75 Å²	75	51%	0.509	41%	0.408	S	S	.	.			trans	-139.1	126.1	177.4	-69.3	-173.8	176.9	-173.4	0	110.6	F489 D490 Y491	K487-F489 PolarHBondContact O-N 2.84Å; K487-D490 HydrophobicContact CB-CB 4.33Å; K487-D490 WeakPolarHBondContact CD-OD2 3.42Å; K487-D490 PolarHBondContact O-N 2.73Å; K487-Y491 WeakPolarHBondContact O-CB 3.39Å; K487-Y491 PolarHBondContact O-N 3.44Å
488	W	98	Very high	95.8	Very high	15 Å²	15	77.9 Å²	77.9	6%	0.057	42%	0.42	C	S	.	.	H	α-helix	trans	-58.8	-42.6	179.8	-88.1	121.6	0	0	0	113.7	K411 L412 E413 V425 V465 L475 F486 D490 Y491 L492	K411-W488 HydrophobicContact CB-CH2 4.16Å; K411-W488 HydrophobicContact CB-CZ3 3.79Å; K411-W488 HydrophobicContact CG-CZ3 4.31Å; L412-W488 WeakPolarHBondContact O-CH2 3.34Å; E413-W488 HydrophobicContact CG-CZ2 3.59Å; E413-W488 PolarHBondContact OE1-NE1 2.67Å; V425-W488 HydrophobicContact CB-CH2 4.17Å; V425-W488 HydrophobicContact CB-CZ2 4.37Å; V425-W488 HydrophobicContact CG1-CH2 3.58Å; V425-W488 HydrophobicContact CG1-CZ2 4.25Å; V425-W488 HydrophobicContact CG1-CZ3 3.97Å; V425-W488 HydrophobicContact CG2-CH2 4Å; V425-W488 HydrophobicContact CG2-CZ2 3.8Å; V465-W488 HydrophobicContact CB-CD2 4.37Å; V465-W488 HydrophobicContact CG1-CB 3.85Å; V465-W488 HydrophobicContact CG1-CD2 3.52Å; V465-W488 HydrophobicContact CG1-CE3 3.96Å; V465-W488 HydrophobicContact CG1-CG 3.49Å; V465-W488 VanDerWaalsContact CG1-CG 3.49Å; V465-W488 HydrophobicContact CG2-CD2 4.21Å; V465-W488 HydrophobicContact CG2-CE3 4.11Å; V465-W488 HydrophobicContact CG2-CH2 3.83Å; V465-W488 HydrophobicContact CG2-CZ2 3.97Å; V465-W488 HydrophobicContact CG2-CZ3 3.93Å; L475-W488 HydrophobicContact CD2-CZ2 4.32Å; F486-W488 AromaticContact CE1-CD2 3.78Å; F486-W488 HydrophobicContact CE1-CD2 3.78Å; F486-W488 AromaticContact CE1-CE2 3.96Å; F486-W488 HydrophobicContact CE1-CE3 4.33Å; F486-W488 AromaticContact CE1-CG 3.86Å; F486-W488 HydrophobicContact CE1-CG 3.86Å; F486-W488 AromaticContact CZ-CD2 3.94Å; F486-W488 HydrophobicContact CZ-CD2 3.94Å; F486-W488 HydrophobicContact CZ-CE3 4Å; F486-W488 HydrophobicContact CZ-CG 4.37Å; F486-W488 HydrophobicContact CZ-CZ3 4.45Å; W488-D490 PolarHBondContact O-N 3.46Å; W488-Y491 HydrophobicContact CE3-CD1 4.33Å; W488-Y491 HydrophobicContact CZ3-CD1 4.11Å; W488-Y491 PolarHBondContact O-N 2.71Å; W488-L492 HydrophobicContact CE3-CG 4.26Å; W488-L492 WeakPolarHBondContact O-CB 3.27Å; W488-L492 VanDerWaalsContact O-CG 3.25Å; W488-L492 WeakPolarHBondContact O-CG 3.26Å; W488-L492 PolarHBondContact O-N 3.11Å
489	F	97.2	Very high	95.9	Very high	154 Å²	154	79.1 Å²	79.1	68%	0.675	43%	0.431	S	S	*	.	H	α-helix	trans	-59.9	-44.6	178.9	178.6	-106.5	0	0	0	112.9	K487 R493	K487-F489 PolarHBondContact O-N 2.84Å; F489-R493 WeakPolarHBondContact O-CB 3.19Å; F489-R493 PolarHBondContact O-N 2.96Å
490	D	97.3	Very high	96.2	Very high	44 Å²	44	72.4 Å²	72.4	24%	0.235	40%	0.402	C	S	.	.	H	α-helix	trans	-69.8	-39.5	178.1	-64.4	-50.8	0	0	0	111.1	K487 W488 R493 E494	K487-D490 HydrophobicContact CB-CB 4.33Å; K487-D490 WeakPolarHBondContact CD-OD2 3.42Å; K487-D490 PolarHBondContact O-N 2.73Å; W488-D490 PolarHBondContact O-N 3.46Å; D490-R493 PolarHBondContact O-N 2.86Å; D490-R493 IonicContact OD1-CZ 3.42Å; D490-R493 IonicContact OD1-NH1 2.66Å; D490-R493 PolarHBondContact OD1-NH1 3.03Å; D490-R493 IonicContact OD1-NH2 3.92Å; D490-R493 PolarHBondContact OD1-NH2 2.82Å; D490-E494 VanDerWaalsContact O-CB 3.31Å; D490-E494 WeakPolarHBondContact O-CB 3.42Å; D490-E494 WeakPolarHBondContact O-CG 3.39Å; D490-E494 PolarHBondContact O-N 3.19Å
491	Y	98.1	Very high	96.5	Very high	24 Å²	24	71.2 Å²	71.2	9%	0.094	38%	0.381	C	S	.	.	H	α-helix	trans	-67.5	-42.7	179	-169.3	-115.4	0	0	0	113.6	V425 D442 P478 Y481 F486 K487 W488 E494 T495	V425-Y491 HydrophobicContact CG1-CD1 4.15Å; V425-Y491 HydrophobicContact CG1-CE1 3.7Å; D442-Y491 WeakPolarHBondContact OD2-CE1 3.31Å; D442-Y491 PolarHBondContact OD2-OH 3.47Å; P478-Y491 HydrophobicContact CB-CE2 4.43Å; P478-Y491 HydrophobicContact CG-CD2 4.44Å; P478-Y491 HydrophobicContact CG-CE1 3.98Å; P478-Y491 HydrophobicContact CG-CE2 3.82Å; Y481-Y491 HydrophobicContact CD2-CD2 4.14Å; Y481-Y491 HydrophobicContact CD2-CE2 4.16Å; Y481-Y491 AromaticContact CE2-CD2 3.68Å; Y481-Y491 HydrophobicContact CE2-CD2 3.68Å; Y481-Y491 HydrophobicContact CE2-CE2 4.1Å; F486-Y491 AromaticContact CE2-CD1 3.95Å; F486-Y491 HydrophobicContact CE2-CD1 3.95Å; F486-Y491 AromaticContact CE2-CD2 3.97Å; F486-Y491 HydrophobicContact CE2-CD2 3.97Å; F486-Y491 AromaticContact CE2-CG 3.56Å; F486-Y491 HydrophobicContact CE2-CG 3.56Å; F486-Y491 AromaticContact CZ-CD1 3.95Å; F486-Y491 HydrophobicContact CZ-CD1 3.95Å; F486-Y491 AromaticContact CZ-CG 3.9Å; F486-Y491 HydrophobicContact CZ-CG 3.9Å; K487-Y491 WeakPolarHBondContact O-CB 3.39Å; K487-Y491 PolarHBondContact O-N 3.44Å; W488-Y491 HydrophobicContact CE3-CD1 4.33Å; W488-Y491 HydrophobicContact CZ3-CD1 4.11Å; W488-Y491 PolarHBondContact O-N 2.71Å; Y491-E494 PolarHBondContact O-N 3.07Å; Y491-T495 HydrophobicContact CD2-CG2 4.2Å; Y491-T495 HydrophobicContact CE1-CG2 4.06Å; Y491-T495 HydrophobicContact CE2-CG2 3.72Å; Y491-T495 WeakPolarHBondContact O-CB 2.87Å; Y491-T495 WeakPolarHBondContact O-CG2 3.37Å; Y491-T495 PolarHBondContact O-N 2.66Å; Y491-T495 PolarHBondContact O-OG1 3.5Å
492	L	97.9	Very high	96.6	Very high	32 Å²	32	73.5 Å²	73.5	17%	0.168	40%	0.4	C	S	.	.	H	α-helix	trans	-61.5	-44.9	175.7	-72.4	166.5	0	0	0	111.1	K411 W488 E494 T495 G496 S497 A499	K411-L492 HydrophobicContact CB-CD2 3.91Å; K411-L492 HydrophobicContact CG-CD2 3.64Å; W488-L492 HydrophobicContact CE3-CG 4.26Å; W488-L492 WeakPolarHBondContact O-CB 3.27Å; W488-L492 VanDerWaalsContact O-CG 3.25Å; W488-L492 WeakPolarHBondContact O-CG 3.26Å; W488-L492 PolarHBondContact O-N 3.11Å; L492-E494 VanDerWaalsContact C-N 3.35Å; L492-E494 PolarHBondContact O-N 3.48Å; L492-T495 PolarHBondContact O-N 3.34Å; L492-T495 PolarHBondContact O-OG1 2.92Å; L492-G496 PolarHBondContact O-N 3.49Å; L492-S497 WeakPolarHBondContact CD2-O 3.5Å; L492-S497 PolarHBondContact O-N 2.84Å; L492-S497 VanDerWaalsContact O-N 3.08Å; L492-A499 HydrophobicContact CD1-CB 4.39Å
493	R	97.6	Very high	96.6	Very high	138 Å²	138	73.1 Å²	73.1	52%	0.521	39%	0.387	S	S	.	.	H	α-helix	trans	-63.4	-38.2	175.8	-171.1	-176.4	66.8	-119.2	-8.5	112.4	F489 D490	F489-R493 WeakPolarHBondContact O-CB 3.19Å; F489-R493 PolarHBondContact O-N 2.96Å; D490-R493 PolarHBondContact O-N 2.86Å; D490-R493 IonicContact OD1-CZ 3.42Å; D490-R493 IonicContact OD1-NH1 2.66Å; D490-R493 PolarHBondContact OD1-NH1 3.03Å; D490-R493 IonicContact OD1-NH2 3.92Å; D490-R493 PolarHBondContact OD1-NH2 2.82Å
494	E	96.9	Very high	96.7	Very high	83 Å²	83	68.6 Å²	68.6	39%	0.388	37%	0.368	S	S	.	.	H	α-helix	trans	-75.6	-27.5	179.4	-75.6	169.6	-159.3	0	0	113.7	Y481 K483 D490 Y491 L492	Y481-E494 PolarHBondContact OH-OE2 3.32Å; K483-E494 IonicContact NZ-OE1 3.81Å; K483-E494 PolarHBondContact NZ-OE1 3.14Å; K483-E494 IonicContact NZ-OE2 3.42Å; K483-E494 PolarHBondContact NZ-OE2 2.75Å; D490-E494 VanDerWaalsContact O-CB 3.31Å; D490-E494 WeakPolarHBondContact O-CB 3.42Å; D490-E494 WeakPolarHBondContact O-CG 3.39Å; D490-E494 PolarHBondContact O-N 3.19Å; Y491-E494 PolarHBondContact O-N 3.07Å; L492-E494 VanDerWaalsContact C-N 3.35Å; L492-E494 PolarHBondContact O-N 3.48Å
495	T	96.8	Very high	96.8	Very high	51 Å²	51	63.6 Å²	63.6	31%	0.313	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	1.2	177.6	54.2	0	0	0	0	113.6	Y491 L492 S497	Y491-T495 HydrophobicContact CD2-CG2 4.2Å; Y491-T495 HydrophobicContact CE1-CG2 4.06Å; Y491-T495 HydrophobicContact CE2-CG2 3.72Å; Y491-T495 WeakPolarHBondContact O-CB 2.87Å; Y491-T495 WeakPolarHBondContact O-CG2 3.37Å; Y491-T495 PolarHBondContact O-N 2.66Å; Y491-T495 PolarHBondContact O-OG1 3.5Å; L492-T495 PolarHBondContact O-N 3.34Å; L492-T495 PolarHBondContact O-OG1 2.92Å; T495-S497 PolarHBondContact O-N 2.86Å; T495-S497 VanDerWaalsContact O-N 3.1Å; T495-S497 PolarHBondContact O-OG 3.29Å; T495-S497 WeakPolarHBondContact OG1-CB 3.11Å; T495-S497 PolarHBondContact OG1-OG 3.13Å
496	G	97.5	Very high	96.6	Very high	76 Å²	76	61.5 Å²	61.5	78%	0.784	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	23.7	-175.7	0	0	0	0	0	113.8	L492	L492-G496 PolarHBondContact O-N 3.49Å
497	S	97.8	Very high	96.1	Very high	31 Å²	31	66.6 Å²	66.6	22%	0.217	35%	0.347	C	S	.	.			trans	-108.2	158.7	-167.1	-60.3	0	0	0	0	111.8	K411 L492 T495	K411-S497 WeakPolarHBondContact CE-OG 3.39Å; L492-S497 WeakPolarHBondContact CD2-O 3.5Å; L492-S497 PolarHBondContact O-N 2.84Å; L492-S497 VanDerWaalsContact O-N 3.08Å; T495-S497 PolarHBondContact O-N 2.86Å; T495-S497 VanDerWaalsContact O-N 3.1Å; T495-S497 PolarHBondContact O-OG 3.29Å; T495-S497 WeakPolarHBondContact OG1-CB 3.11Å; T495-S497 PolarHBondContact OG1-OG 3.13Å
498	I	97.9	Very high	95.9	Very high	109 Å²	109	66.4 Å²	66.4	56%	0.559	35%	0.348	S	S	*	.			trans	-107.2	151.8	174.5	61.3	170.7	0	0	0	111.3	M410 K411	M410-I498 WeakPolarHBondContact CA-O 3.29Å; M410-I498 HydrophobicContact CE-CD1 4.04Å; M410-I498 HydrophobicContact CG-CD1 4.24Å; M410-I498 HydrophobicContact CG-CG1 4.15Å; K411-I498 PolarHBondContact N-O 2.8Å
499	A	98.4	Very high	95.7	Very high	36 Å²	36	69.2 Å²	69.2	30%	0.298	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-72.6	145.3	167.3	0	0	0	0	0	110.7	V465 L492	V465-A499 HydrophobicContact CB-CB 3.8Å; V465-A499 HydrophobicContact CG1-CB 4.24Å; V465-A499 HydrophobicContact CG2-CB 3.6Å; L492-A499 HydrophobicContact CD1-CB 4.39Å
500	A	98.1	Very high	95.6	Very high	2 Å²	2	62.9 Å²	62.9	2%	0.017	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-62.7	129.9	167.1	0	0	0	0	0	110.2	F406 M410 K411 V502 F505	F406-A500 HydrophobicContact CD1-CB 4.09Å; F406-A500 HydrophobicContact CE1-CB 3.81Å; M410-A500 HydrophobicContact CB-CB 4.17Å; M410-A500 HydrophobicContact SD-CB 4.13Å; K411-A500 PolarHBondContact O-N 3.23Å; A500-V502 PolarHBondContact O-N 3.23Å; A500-F505 HydrophobicContact CB-CE2 3.71Å; A500-F505 HydrophobicContact CB-CZ 3.75Å
501	P	96.8	Very high	95.5	Very high	45 Å²	45	68.7 Å²	68.7	29%	0.292	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-59.6	134	-178.2	-26.2	33.8	0	0	0	113.6	K503 L504	P501-K503 HydrophobicContact CB-CG 4.12Å; P501-K503 PolarHBondContact O-N 3.35Å; P501-L504 HydrophobicContact CB-CG 4.26Å; P501-L504 HydrophobicContact CG-CD1 4.38Å; P501-L504 WeakPolarHBondContact O-CG 3.32Å; P501-L504 PolarHBondContact O-N 3.15Å
502	V	96	Very high	95.5	Very high	91 Å²	91	69.5 Å²	69.5	55%	0.552	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-56.5	-20.1	-178.7	-174.7	0	0	0	0	113.4	P464 A500 L504 K507	P464-V502 HydrophobicContact CB-CB 4.46Å; P464-V502 HydrophobicContact CB-CG1 4.42Å; P464-V502 HydrophobicContact CB-CG2 3.98Å; P464-V502 HydrophobicContact CG-CG1 4.33Å; A500-V502 PolarHBondContact O-N 3.23Å; V502-L504 VanDerWaalsContact C-N 3.33Å; V502-K507 VanDerWaalsContact O-CE 3.25Å; V502-K507 WeakPolarHBondContact O-CE 3.38Å
503	K	94	Very high	95.4	Very high	116 Å²	116	69.5 Å²	69.5	50%	0.504	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-72.4	-18.7	175.9	65.7	170	-178.5	175.4	0	114.9	E404 P501	E404-K503 WeakPolarHBondContact OE2-CE 3.37Å; E404-K503 IonicContact OE2-NZ 2.76Å; E404-K503 PolarHBondContact OE2-NZ 3.2Å; P501-K503 HydrophobicContact CB-CG 4.12Å; P501-K503 PolarHBondContact O-N 3.35Å
504	L	95.1	Very high	95.4	Very high	15 Å²	15	63.3 Å²	63.3	8%	0.079	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-83.6	-18.3	-177.8	-50.5	-175.8	0	0	0	113.7	E404 F406 M458 P501 V502	E404-L504 WeakPolarHBondContact O-CD2 3.18Å; F406-L504 HydrophobicContact CB-CD1 4.48Å; F406-L504 HydrophobicContact CD1-CD1 3.99Å; F406-L504 HydrophobicContact CD2-CB 4.1Å; F406-L504 HydrophobicContact CD2-CD1 3.9Å; F406-L504 HydrophobicContact CE1-CB 4.24Å; F406-L504 HydrophobicContact CE1-CD1 4.19Å; F406-L504 HydrophobicContact CE2-CB 3.48Å; F406-L504 VanDerWaalsContact CE2-CB 3.48Å; F406-L504 HydrophobicContact CE2-CD1 4.11Å; F406-L504 HydrophobicContact CE2-CG 4.42Å; F406-L504 HydrophobicContact CG-CD1 3.85Å; F406-L504 HydrophobicContact CZ-CB 3.57Å; F406-L504 HydrophobicContact CZ-CD1 4.25Å; M458-L504 WeakPolarHBondContact CE-O 3.22Å; P501-L504 HydrophobicContact CB-CG 4.26Å; P501-L504 HydrophobicContact CG-CD1 4.38Å; P501-L504 WeakPolarHBondContact O-CG 3.32Å; P501-L504 PolarHBondContact O-N 3.15Å; V502-L504 VanDerWaalsContact C-N 3.33Å
505	F	95	Very high	95.5	Very high	13 Å²	13	68 Å²	68	6%	0.057	38%	0.375	C	S	.	.	S	Bend	trans	-85.8	146.7	-178.8	-63.9	-91.6	0	0	0	111	F406 L412 I462 F463 P464 A500 K507	F406-F505 HydrophobicContact CE1-CE1 4.32Å; F406-F505 HydrophobicContact CE1-CE2 4.25Å; F406-F505 AromaticContact CE1-CZ 3.92Å; F406-F505 HydrophobicContact CE1-CZ 3.92Å; F406-F505 HydrophobicContact CZ-CE1 4.26Å; F406-F505 HydrophobicContact CZ-CE2 4.37Å; F406-F505 HydrophobicContact CZ-CZ 4.18Å; L412-F505 HydrophobicContact CB-CE1 4.36Å; L412-F505 HydrophobicContact CB-CZ 3.94Å; L412-F505 HydrophobicContact CD1-CE1 4.29Å; I462-F505 HydrophobicContact CB-CE1 4.35Å; I462-F505 HydrophobicContact CD1-CE1 4.41Å; I462-F505 HydrophobicContact CG1-CD1 4.3Å; I462-F505 HydrophobicContact CG1-CE1 4.29Å; F463-F505 WeakPolarHBondContact O-CE1 3.34Å; P464-F505 HydrophobicContact CB-CD2 3.84Å; P464-F505 HydrophobicContact CB-CE2 3.84Å; P464-F505 HydrophobicContact CB-CG 4.4Å; P464-F505 HydrophobicContact CB-CZ 4.4Å; P464-F505 HydrophobicContact CG-CD2 4.37Å; A500-F505 HydrophobicContact CB-CE2 3.71Å; A500-F505 HydrophobicContact CB-CZ 3.75Å; F505-K507 PolarHBondContact O-N 3.27Å
506	N	89.6	Confident	95.6	Very high	65 Å²	65	70.9 Å²	70.9	35%	0.348	39%	0.387	S	S	.	.			trans	-63.6	133.1	174.2	-171.7	5.4	0	0	0	110.7	M458 E508	M458-N506 HydrophobicContact SD-CB 4.2Å; N506-E508 WeakPolarHBondContact OD1-CB 3.37Å; N506-E508 PolarHBondContact OD1-N 3.07Å
507	K	86.5	Confident	95.6	Very high	141 Å²	141	69 Å²	69	61%	0.613	37%	0.368	S	S	*	.			trans	-111.4	0	-179.4	-58.3	176.6	-172.5	172	0	112.9	V502 F505 V509	V502-K507 VanDerWaalsContact O-CE 3.25Å; V502-K507 WeakPolarHBondContact O-CE 3.38Å; F505-K507 PolarHBondContact O-N 3.27Å; K507-V509 PolarHBondContact O-N 2.65Å
508	E	91.6	Very high	95.6	Very high	114 Å²	114	68.6 Å²	68.6	53%	0.533	36%	0.363	S	S	.	.			trans	-74.7	115.2	-177.1	-170.9	178.3	166.2	0	0	111.5	N506 R542	N506-E508 WeakPolarHBondContact OD1-CB 3.37Å; N506-E508 PolarHBondContact OD1-N 3.07Å; E508-R542 WeakPolarHBondContact O-CD 3.07Å; E508-R542 PolarHBondContact O-NH1 2.68Å
509	V	94.4	Very high	95.7	Very high	73 Å²	73	64.2 Å²	64.2	44%	0.442	34%	0.34	S	S	.	.			trans	-111.2	99.5	175.5	-173.8	0	0	0	0	108.2	K507 H541	K507-V509 PolarHBondContact O-N 2.65Å; V509-H541 HydrophobicContact CG1-CB 4Å; V509-H541 HydrophobicContact CG2-CB 3.82Å
510	P	94.7	Very high	95.7	Very high	22 Å²	22	62.5 Å²	62.5	14%	0.143	33%	0.326	C	S	.	.			trans	-69.9	153.9	179.5	29.1	-35	0	0	0	111.1	H512 E562	P510-H512 PolarHBondContact O-CD2 2.86Å; P510-H512 VanDerWaalsContact O-CD2 3.24Å; P510-H512 PolarHBondContact O-N 3.35Å; P510-E562 HydrophobicContact CG-CG 4.24Å
511	N	95.4	Very high	95.7	Very high	166 Å²	166	62.4 Å²	62.4	89%	0.888	33%	0.325	S	S	*	.			trans	-74.5	78.2	167.7	-175.3	11.5	0	0	0	109.8	G513	N511-G513 VanDerWaalsContact C-N 3.3Å; N511-G513 PolarHBondContact O-N 2.77Å
512	H	96.7	Very high	95.8	Very high	41 Å²	41	60.3 Å²	60.3	19%	0.19	31%	0.312	C	S	.	.			trans	-78.8	-3.5	-170.8	54.2	59	0	0	0	115	C183 P510 F514 I539 H541 C561	C183-H512 PolarHBondContact SG-O 2.91Å; P510-H512 PolarHBondContact O-CD2 2.86Å; P510-H512 VanDerWaalsContact O-CD2 3.24Å; P510-H512 PolarHBondContact O-N 3.35Å; H512-F514 HydrophobicContact CB-CD2 4.09Å; H512-F514 PolarHBondContact CE1-O 3.37Å; H512-F514 AromaticContact ND1-CD2 3.86Å; H512-F514 PolarHBondContact ND1-N 2.86Å; H512-F514 WeakPolarHBondContact O-CD2 3.24Å; H512-F514 PolarHBondContact O-N 3.47Å; H512-I539 WeakPolarHBondContact CE1-CG2 3.38Å; H512-H541 PolarHBondContact NE2-O 2.69Å; H512-C561 HydrophobicContact CB-CB 3.8Å; H512-C561 PolarHBondContact CD2-SG 3.47Å
513	G	96.8	Very high	96	Very high	32 Å²	32	56.1 Å²	56.1	33%	0.33	29%	0.286	S	S	.	.			trans	73.3	-19.6	172.8	0	0	0	0	0	116.8	N511	N511-G513 VanDerWaalsContact C-N 3.3Å; N511-G513 PolarHBondContact O-N 2.77Å
514	F	98.4	Very high	96.1	Very high	8 Å²	8	52 Å²	52	4%	0.035	27%	0.27	C	S	.	.			trans	-57.5	147.2	179.4	-72.4	-79.3	0	0	0	112.7	A179 C183 F184 H512 L520 V536 I539 L544 C561	A179-F514 HydrophobicContact CB-CD1 4.19Å; A179-F514 HydrophobicContact CB-CE1 4.02Å; C183-F514 HydrophobicContact CB-CD1 4.33Å; C183-F514 HydrophobicContact CB-CD2 4.11Å; C183-F514 HydrophobicContact CB-CE1 3.95Å; C183-F514 HydrophobicContact CB-CE2 3.71Å; C183-F514 HydrophobicContact CB-CG 4.41Å; C183-F514 HydrophobicContact CB-CZ 3.63Å; F184-F514 HydrophobicContact CD1-CZ 4.04Å; F184-F514 AromaticContact CE1-CE1 3.82Å; F184-F514 HydrophobicContact CE1-CE1 3.82Å; F184-F514 AromaticContact CE1-CZ 3.63Å; F184-F514 HydrophobicContact CE1-CZ 3.63Å; F184-F514 HydrophobicContact CE2-CE1 4.25Å; F184-F514 HydrophobicContact CE2-CZ 4.38Å; F184-F514 AromaticContact CZ-CE1 3.62Å; F184-F514 HydrophobicContact CZ-CE1 3.62Å; F184-F514 AromaticContact CZ-CZ 3.84Å; F184-F514 HydrophobicContact CZ-CZ 3.84Å; H512-F514 HydrophobicContact CB-CD2 4.09Å; H512-F514 PolarHBondContact CE1-O 3.37Å; H512-F514 AromaticContact ND1-CD2 3.86Å; H512-F514 PolarHBondContact ND1-N 2.86Å; H512-F514 WeakPolarHBondContact O-CD2 3.24Å; H512-F514 PolarHBondContact O-N 3.47Å; F514-L520 HydrophobicContact CD1-CD2 4.37Å; F514-L520 HydrophobicContact CE1-CD2 3.76Å; F514-V536 HydrophobicContact CD1-CG2 4.04Å; F514-I539 HydrophobicContact CB-CD1 4.01Å; F514-I539 VanDerWaalsContact O-CD1 3.29Å; F514-I539 WeakPolarHBondContact O-CD1 3.36Å; F514-L544 HydrophobicContact CB-CD2 4.27Å; F514-L544 HydrophobicContact CD1-CD1 4.23Å; F514-L544 HydrophobicContact CD2-CD1 3.85Å; F514-L544 HydrophobicContact CE1-CD1 4.33Å; F514-L544 HydrophobicContact CE2-CD1 3.97Å; F514-L544 HydrophobicContact CG-CD1 3.98Å; F514-L544 HydrophobicContact CG-CD2 4.49Å; F514-L544 HydrophobicContact CZ-CD1 4.2Å; F514-C561 HydrophobicContact CD2-CB 4.08Å; F514-C561 HydrophobicContact CE2-CB 4.17Å; F514-C561 WeakPolarHBondContact CE2-O 3.18Å
515	R	98.2	Very high	96.1	Very high	180 Å²	180	53.3 Å²	53.3	68%	0.679	28%	0.276	S	S	*	.			trans	-136.8	150.3	175.1	-56.6	-173.8	-175.9	-160.3	-0.4	110.4	G517 M518	R515-G517 PolarHBondContact O-N 2.94Å; R515-M518 HydrophobicContact CB-CE 4.03Å; R515-M518 HydrophobicContact CB-CG 4.16Å; R515-M518 HydrophobicContact CB-SD 4.04Å; R515-M518 HydrophobicContact CG-CE 3.9Å; R515-M518 HydrophobicContact CG-SD 4.38Å; R515-M518 PolarHBondContact N-SD 3.27Å; R515-M518 VanDerWaalsContact O-CB 3.32Å; R515-M518 WeakPolarHBondContact O-CB 3.09Å; R515-M518 WeakPolarHBondContact O-CG 3.47Å; R515-M518 PolarHBondContact O-N 3.49Å; R515-M518 VanDerWaalsContact O-N 3.16Å
516	I	98.3	Very high	96.1	Very high	113 Å²	113	57.8 Å²	57.8	58%	0.579	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	136.7	174.2	-62.5	175	0	0	0	109.4	M518 V536 T537 I539	I516-M518 VanDerWaalsContact C-N 3.35Å; I516-V536 CarbonylContact C-O 3.59Å; I516-V536 WeakPolarHBondContact CA-O 3.38Å; I516-T537 WeakPolarHBondContact CG2-O 2.99Å; I516-I539 HydrophobicContact CG1-CD1 4.42Å; I516-I539 HydrophobicContact CG1-CG1 4.07Å
517	G	97.8	Very high	96.3	Very high	37 Å²	37	57.6 Å²	57.6	38%	0.381	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	-4.4	-176.2	0	0	0	0	0	115.2	R515 V536	R515-G517 PolarHBondContact O-N 2.94Å; G517-V536 PolarHBondContact N-O 3.15Å
518	M	98.4	Very high	96.8	Very high	21 Å²	21	52.7 Å²	52.7	10%	0.103	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	136.7	171.8	-77.2	-177.9	165.4	0	0	111.5	V177 A179 R515 I516 T535 V536	V177-M518 WeakPolarHBondContact O-CA 3.04Å; A179-M518 HydrophobicContact CB-CB 4.18Å; A179-M518 HydrophobicContact CB-SD 3.99Å; R515-M518 HydrophobicContact CB-CE 4.03Å; R515-M518 HydrophobicContact CB-CG 4.16Å; R515-M518 HydrophobicContact CB-SD 4.04Å; R515-M518 HydrophobicContact CG-CE 3.9Å; R515-M518 HydrophobicContact CG-SD 4.38Å; R515-M518 PolarHBondContact N-SD 3.27Å; R515-M518 VanDerWaalsContact O-CB 3.32Å; R515-M518 WeakPolarHBondContact O-CB 3.09Å; R515-M518 WeakPolarHBondContact O-CG 3.47Å; R515-M518 PolarHBondContact O-N 3.49Å; R515-M518 VanDerWaalsContact O-N 3.16Å; I516-M518 VanDerWaalsContact C-N 3.35Å; M518-T535 WeakPolarHBondContact O-CA 3.42Å; M518-V536 PolarHBondContact O-N 2.91Å
519	K	98.6	Very high	97	Very high	17 Å²	17	52.2 Å²	52.2	7%	0.074	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	143.2	173.9	-61	-62.2	-176.8	175.5	0	111.6	W167 Y170 T176 V177 G178 A179 A534 T535 D549 V569	W167-K519 HydrophobicContact CH2-CB 4Å; W167-K519 HydrophobicContact CZ3-CB 3.78Å; W167-K519 HydrophobicContact CZ3-CG 4.28Å; Y170-K519 HydrophobicContact CE1-CD 4.35Å; T176-K519 HydrophobicContact CG2-CG 4.39Å; V177-K519 PolarHBondContact O-N 3.12Å; G178-K519 CarbonylContact C-O 3.54Å; G178-K519 WeakPolarHBondContact CA-O 3.29Å; A179-K519 PolarHBondContact N-O 2.95Å; K519-A534 WeakPolarHBondContact CA-O 3.49Å; K519-T535 WeakPolarHBondContact CD-OG1 3.39Å; K519-T535 WeakPolarHBondContact CE-OG1 3.28Å; K519-T535 PolarHBondContact NZ-OG1 3.27Å; K519-D549 IonicContact NZ-OD1 3.36Å; K519-D549 PolarHBondContact NZ-OD1 2.82Å; K519-D549 IonicContact NZ-OD2 3.56Å; K519-D549 PolarHBondContact NZ-OD2 3.28Å; K519-V569 HydrophobicContact CB-CG2 4.3Å; K519-V569 WeakPolarHBondContact O-CG2 3.3Å
520	L	98.9	Very high	97.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	175	177.2	57.3	81.5	0	0	0	110.9	F184 F514 A522 A534 V536 I546 L566 Y567	F184-L520 HydrophobicContact CE1-CB 4.39Å; F184-L520 HydrophobicContact CE1-CD2 4.32Å; F184-L520 HydrophobicContact CZ-CB 3.88Å; F184-L520 HydrophobicContact CZ-CD2 4.18Å; F514-L520 HydrophobicContact CD1-CD2 4.37Å; F514-L520 HydrophobicContact CE1-CD2 3.76Å; L520-A522 HydrophobicContact CD1-CB 3.71Å; L520-A534 HydrophobicContact CD1-CB 3.96Å; L520-A534 PolarHBondContact N-O 2.99Å; L520-A534 PolarHBondContact O-N 3.38Å; L520-V536 HydrophobicContact CD2-CG2 3.65Å; L520-I546 HydrophobicContact CD1-CG2 4.42Å; L520-I546 HydrophobicContact CD2-CD1 4.31Å; L520-L566 HydrophobicContact CD1-CD2 4.14Å; L520-Y567 WeakPolarHBondContact CB-O 3.21Å
521	E	98.9	Very high	97.3	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	115.6	171.9	-68.1	176.9	-174	0	0	108.1	W167 V531 C532 Y567 G570 W571 C572 L579	W167-E521 HydrophobicContact CZ2-CG 3.64Å; W167-E521 PolarHBondContact NE1-OE1 3.47Å; E521-V531 HydrophobicContact CB-CG1 3.92Å; E521-C532 WeakPolarHBondContact CA-O 3.47Å; E521-Y567 PolarHBondContact N-O 2.99Å; E521-Y567 PolarHBondContact O-N 2.76Å; E521-G570 WeakPolarHBondContact OE1-CA 3.22Å; E521-G570 PolarHBondContact OE1-N 3.08Å; E521-W571 WeakPolarHBondContact OE2-CB 3.35Å; E521-W571 PolarHBondContact OE2-N 3.21Å; E521-C572 WeakPolarHBondContact OE2-CB 3.05Å; E521-C572 PolarHBondContact OE2-N 3.24Å; E521-C572 PolarHBondContact OE2-SG 2.88Å; E521-L579 HydrophobicContact CB-CD1 4.42Å; E521-L579 HydrophobicContact CG-CD1 3.88Å; E521-L579 HydrophobicContact CG-CD2 4.49Å
522	A	98.9	Very high	97.5	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.008	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	140.7	-176.3	0	0	0	0	0	111.6	L520 V531 C532 A534 I546 F548 L566	L520-A522 HydrophobicContact CD1-CB 3.71Å; A522-V531 CarbonylContact O-C 3.58Å; A522-V531 WeakPolarHBondContact O-CA 3.36Å; A522-C532 PolarHBondContact N-O 3.49Å; A522-C532 PolarHBondContact O-N 3.4Å; A522-A534 HydrophobicContact CB-CB 3.59Å; A522-I546 HydrophobicContact CB-CG2 3.71Å; A522-F548 HydrophobicContact CB-CE1 3.85Å; A522-L566 HydrophobicContact CB-CD2 3.77Å
523	V	98.8	Very high	97.6	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	136.1	166	178.5	0	0	0	0	109.1	R338 L525 P528 L530 V531 D565 Y567	R338-V523 VanDerWaalsContact CZ-CG2 3.45Å; V523-L525 HydrophobicContact CB-CD2 4.42Å; V523-L525 HydrophobicContact CG1-CD2 4.02Å; V523-L525 PolarHBondContact O-N 3.18Å; V523-P528 HydrophobicContact CG1-CB 4Å; V523-L530 WeakPolarHBondContact CA-O 3.44Å; V523-V531 HydrophobicContact CG2-CG2 4.04Å; V523-D565 HydrophobicContact CB-CB 3.99Å; V523-D565 WeakPolarHBondContact CB-O 3.47Å; V523-D565 HydrophobicContact CG2-CB 3.85Å; V523-D565 VanDerWaalsContact CG2-O 3.28Å; V523-D565 WeakPolarHBondContact CG2-O 3.28Å; V523-D565 PolarHBondContact N-O 3.39Å; V523-Y567 HydrophobicContact CG2-CE2 3.82Å
524	D	97.9	Very high	97.7	Very high	31 Å²	31	38.3 Å²	38.3	17%	0.166	19%	0.188	C	C	.	.			trans	-76.3	106.7	161.3	179.3	0.8	0	0	0	108.4	M526 E527 P528 L530 F548 Q557	D524-M526 PolarHBondContact O-N 3.01Å; D524-M526 VanDerWaalsContact O-N 3.14Å; D524-M526 WeakPolarHBondContact OD1-CB 3.41Å; D524-M526 PolarHBondContact OD1-N 3.45Å; D524-E527 CarbonylContact O-C 3.52Å; D524-E527 PolarHBondContact O-N 3.28Å; D524-P528 VanDerWaalsContact O-CA 3.24Å; D524-P528 WeakPolarHBondContact O-CA 3.44Å; D524-L530 HydrophobicContact CB-CB 4.29Å; D524-L530 PolarHBondContact N-O 3Å; D524-F548 HydrophobicContact CB-CE1 4.46Å; D524-F548 HydrophobicContact CB-CZ 4.33Å; D524-Q557 PolarHBondContact OD1-NE2 2.94Å
525	L	95.2	Very high	97.7	Very high	42 Å²	42	38.7 Å²	38.7	22%	0.22	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-7.1	-177	-64.9	166.6	0	0	0	113.2	L420 V523 V559 D565	L420-L525 HydrophobicContact CD1-CB 3.95Å; L420-L525 HydrophobicContact CD2-CB 3.77Å; L420-L525 HydrophobicContact CD2-CD1 3.61Å; L420-L525 HydrophobicContact CD2-CG 4.3Å; L420-L525 HydrophobicContact CG-CB 4.46Å; V523-L525 HydrophobicContact CB-CD2 4.42Å; V523-L525 HydrophobicContact CG1-CD2 4.02Å; V523-L525 PolarHBondContact O-N 3.18Å; L525-V559 HydrophobicContact CD1-CG2 4.12Å; L525-D565 HydrophobicContact CD2-CB 3.95Å
526	M	93.8	Very high	97.7	Very high	107 Å²	107	30.1 Å²	30.1	53%	0.527	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-23.8	168.5	-60.5	-59.9	-55.9	0	0	113.3	L418 L420 D524	L418-M526 WeakPolarHBondContact O-CE 3.41Å; L420-M526 HydrophobicContact CD1-SD 3.77Å; D524-M526 PolarHBondContact O-N 3.01Å; D524-M526 VanDerWaalsContact O-N 3.14Å; D524-M526 WeakPolarHBondContact OD1-CB 3.41Å; D524-M526 PolarHBondContact OD1-N 3.45Å
527	E	94.9	Very high	97.7	Very high	61 Å²	61	27.4 Å²	27.4	29%	0.285	15%	0.147	S	C	.	.	S	Bend	trans	-136	75.9	167.2	-164.2	-170.8	137.5	0	0	110.5	D524 R529 L530	D524-E527 CarbonylContact O-C 3.52Å; D524-E527 PolarHBondContact O-N 3.28Å; E527-R529 PolarHBondContact O-N 2.95Å; E527-R529 IonicContact OE1-CZ 3.18Å; E527-R529 VanDerWaalsContact OE1-CZ 3.27Å; E527-R529 IonicContact OE1-NE 2.69Å; E527-R529 PolarHBondContact OE1-NE 3.05Å; E527-R529 IonicContact OE1-NH2 2.83Å; E527-R529 PolarHBondContact OE1-NH2 2.92Å; E527-L530 HydrophobicContact CB-CD1 4.1Å; E527-L530 HydrophobicContact CB-CG 4.22Å; E527-L530 HydrophobicContact CG-CD1 4.35Å; E527-L530 HydrophobicContact CG-CG 4.19Å; E527-L530 PolarHBondContact O-N 3.22Å
528	P	95.9	Very high	97.7	Very high	37 Å²	37	29.2 Å²	29.2	24%	0.24	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	2.4	-165	-26.9	36.5	0	0	0	118.2	R338 W352 V523 D524	R338-P528 PolarHBondContact NH2-O 3.39Å; W352-P528 HydrophobicContact CB-CB 4.06Å; W352-P528 WeakPolarHBondContact CB-O 3.37Å; W352-P528 WeakPolarHBondContact O-CB 3.44Å; V523-P528 HydrophobicContact CG1-CB 4Å; D524-P528 VanDerWaalsContact O-CA 3.24Å; D524-P528 WeakPolarHBondContact O-CA 3.44Å
529	R	96.2	Very high	97.7	Very high	105 Å²	105	30.3 Å²	30.3	40%	0.396	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-21.7	167.4	-177.9	179.8	67.3	153.2	1.6	112.5	W352 E527 Y577	W352-R529 HydrophobicContact CG-CB 4.24Å; E527-R529 PolarHBondContact O-N 2.95Å; E527-R529 IonicContact OE1-CZ 3.18Å; E527-R529 VanDerWaalsContact OE1-CZ 3.27Å; E527-R529 IonicContact OE1-NE 2.69Å; E527-R529 PolarHBondContact OE1-NE 3.05Å; E527-R529 IonicContact OE1-NH2 2.83Å; E527-R529 PolarHBondContact OE1-NH2 2.92Å; R529-Y577 WeakPolarHBondContact O-CE1 3.25Å; R529-Y577 PolarHBondContact O-OH 3.34Å
530	L	97.6	Very high	97.7	Very high	29 Å²	29	30 Å²	30	15%	0.152	15%	0.148	C	C	.	.			trans	-92.5	127.5	179.3	-54	-176.7	0	0	0	109.6	V523 D524 E527 Q580	V523-L530 WeakPolarHBondContact CA-O 3.44Å; D524-L530 HydrophobicContact CB-CB 4.29Å; D524-L530 PolarHBondContact N-O 3Å; E527-L530 HydrophobicContact CB-CD1 4.1Å; E527-L530 HydrophobicContact CB-CG 4.22Å; E527-L530 HydrophobicContact CG-CD1 4.35Å; E527-L530 HydrophobicContact CG-CG 4.19Å; E527-L530 PolarHBondContact O-N 3.22Å; L530-Q580 HydrophobicContact CB-CG 4.19Å; L530-Q580 HydrophobicContact CD2-CG 4.12Å
531	V	98.6	Very high	97.6	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	128.5	162.6	177.9	0	0	0	0	106.9	E521 A522 V523 Y567 W571 Y577 L579 Q580	E521-V531 HydrophobicContact CB-CG1 3.92Å; A522-V531 CarbonylContact O-C 3.58Å; A522-V531 WeakPolarHBondContact O-CA 3.36Å; V523-V531 HydrophobicContact CG2-CG2 4.04Å; V531-Y567 HydrophobicContact CG1-CD2 4.31Å; V531-Y567 HydrophobicContact CG2-CE2 4.4Å; V531-W571 HydrophobicContact CG1-CZ3 4.44Å; V531-W571 HydrophobicContact CG2-CZ3 4.18Å; V531-Y577 HydrophobicContact CB-CD1 4.14Å; V531-Y577 HydrophobicContact CB-CE1 4.26Å; V531-Y577 HydrophobicContact CG2-CD1 3.81Å; V531-Y577 HydrophobicContact CG2-CE1 3.67Å; V531-L579 HydrophobicContact CG1-CD1 4.39Å; V531-L579 CarbonylContact O-C 3.57Å; V531-L579 WeakPolarHBondContact O-CA 3.41Å; V531-Q580 PolarHBondContact O-N 2.86Å
532	C	98.5	Very high	97.5	Very high	11 Å²	11	36.5 Å²	36.5	7%	0.074	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	152.4	-162.5	-65.8	0	0	0	0	111.3	E521 A522 A534 F548 Q580	E521-C532 WeakPolarHBondContact CA-O 3.47Å; A522-C532 PolarHBondContact N-O 3.49Å; A522-C532 PolarHBondContact O-N 3.4Å; C532-A534 PolarHBondContact O-N 2.86Å; C532-F548 HydrophobicContact CB-CD1 3.62Å; C532-F548 HydrophobicContact CB-CE1 4.07Å; C532-Q580 HydrophobicContact CB-CB 4.44Å
533	V	98.5	Very high	97.5	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	124.7	168.9	173.3	0	0	0	0	109.6	F165 W167 Y170 D549 L579 Q580 P582	F165-V533 HydrophobicContact CD1-CG2 3.93Å; F165-V533 HydrophobicContact CE1-CG2 3.39Å; F165-V533 HydrophobicContact CE2-CG2 4.25Å; F165-V533 HydrophobicContact CZ-CB 4.49Å; F165-V533 HydrophobicContact CZ-CG1 4.15Å; F165-V533 HydrophobicContact CZ-CG2 3.58Å; W167-V533 HydrophobicContact CH2-CB 4.26Å; W167-V533 HydrophobicContact CH2-CG1 3.6Å; W167-V533 HydrophobicContact CH2-CG2 4.15Å; W167-V533 HydrophobicContact CZ2-CB 4.37Å; W167-V533 HydrophobicContact CZ2-CG1 4.17Å; W167-V533 HydrophobicContact CZ2-CG2 3.86Å; W167-V533 HydrophobicContact CZ3-CG1 3.98Å; Y170-V533 HydrophobicContact CE1-CG1 4.06Å; V533-D549 HydrophobicContact CG1-CB 4.07Å; V533-D549 WeakPolarHBondContact CG1-OD2 3.37Å; V533-D549 PolarHBondContact O-N 3.36Å; V533-L579 HydrophobicContact CG2-CD1 4.02Å; V533-L579 HydrophobicContact CG2-CD2 3.93Å; V533-L579 HydrophobicContact CG2-CG 4.06Å; V533-Q580 PolarHBondContact N-O 3.45Å; V533-P582 HydrophobicContact CB-CG 3.97Å; V533-P582 HydrophobicContact CG1-CG 3.76Å; V533-P582 HydrophobicContact CG2-CG 4.39Å
534	A	98.7	Very high	97.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	163.6	-170.3	0	0	0	0	0	114	K519 L520 A522 C532 I546 H547 F548	K519-A534 WeakPolarHBondContact CA-O 3.49Å; L520-A534 HydrophobicContact CD1-CB 3.96Å; L520-A534 PolarHBondContact N-O 2.99Å; L520-A534 PolarHBondContact O-N 3.38Å; A522-A534 HydrophobicContact CB-CB 3.59Å; C532-A534 PolarHBondContact O-N 2.86Å; A534-I546 HydrophobicContact CB-CG2 3.9Å; A534-H547 CarbonylContact C-O 3.53Å; A534-H547 WeakPolarHBondContact CA-O 3.07Å; A534-H547 WeakPolarHBondContact CB-O 3.45Å; A534-F548 HydrophobicContact CB-CD1 4.27Å
535	T	98.7	Very high	97.5	Very high	15 Å²	15	37 Å²	37	9%	0.092	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	139.1	-177.4	-56.8	0	0	0	0	111.3	M518 K519 T537 H547 D549	M518-T535 WeakPolarHBondContact O-CA 3.42Å; K519-T535 WeakPolarHBondContact CD-OG1 3.39Å; K519-T535 WeakPolarHBondContact CE-OG1 3.28Å; K519-T535 PolarHBondContact NZ-OG1 3.27Å; T535-T537 PolarHBondContact O-N 2.91Å; T535-H547 PolarHBondContact N-O 2.83Å; T535-H547 PolarHBondContact O-N 3.01Å; T535-D549 PolarHBondContact OG1-OD1 2.92Å
536	V	98.8	Very high	97.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	104.9	166.3	-177.2	0	0	0	0	109.2	F514 I516 G517 M518 L520 I539 L544 R545 I546	F514-V536 HydrophobicContact CD1-CG2 4.04Å; I516-V536 CarbonylContact C-O 3.59Å; I516-V536 WeakPolarHBondContact CA-O 3.38Å; G517-V536 PolarHBondContact N-O 3.15Å; M518-V536 PolarHBondContact O-N 2.91Å; L520-V536 HydrophobicContact CD2-CG2 3.65Å; V536-I539 HydrophobicContact CG1-CD1 4.09Å; V536-I539 HydrophobicContact CG1-CG1 3.72Å; V536-L544 HydrophobicContact CG1-CD2 4.43Å; V536-R545 WeakPolarHBondContact CA-O 3.31Å; V536-I546 HydrophobicContact CG2-CD1 4.03Å
537	T	98.3	Very high	97.9	Very high	56 Å²	56	31.3 Å²	31.3	34%	0.344	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-26	-180	43.1	0	0	0	0	113.3	I516 T535 R545 H547 D556	I516-T537 WeakPolarHBondContact CG2-O 2.99Å; T535-T537 PolarHBondContact O-N 2.91Å; T537-R545 PolarHBondContact N-O 2.91Å; T537-R545 VanDerWaalsContact OG1-CG 3.28Å; T537-R545 WeakPolarHBondContact OG1-CG 3.24Å; T537-R545 PolarHBondContact OG1-O 3.19Å; T537-H547 HydrophobicContact CG2-CB 3.42Å; T537-H547 VanDerWaalsContact CG2-CB 3.42Å; T537-D556 PolarHBondContact OG1-OD2 2.85Å
538	R	98.4	Very high	98.1	Very high	76 Å²	76	28.9 Å²	28.9	29%	0.287	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	151.9	-179	-176.8	176.7	167.9	171.7	2.5	111.5	N471 N472 V540 R545 W558	N471-R538 PolarHBondContact O-NH2 3.44Å; N472-R538 PolarHBondContact O-NH1 3.31Å; N472-R538 PolarHBondContact O-NH2 2.63Å; R538-V540 HydrophobicContact CG-CG2 4.22Å; R538-R545 HydrophobicContact CB-CB 3.7Å; R538-R545 PolarHBondContact O-N 3.34Å; R538-W558 HydrophobicContact CG-CH2 4.48Å
539	I	98.6	Very high	98.1	Very high	43 Å²	43	27.4 Å²	27.4	22%	0.221	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.4	175.3	-55.7	-175.6	0	0	0	108	H512 F514 I516 V536 H541 L544	H512-I539 WeakPolarHBondContact CE1-CG2 3.38Å; F514-I539 HydrophobicContact CB-CD1 4.01Å; F514-I539 VanDerWaalsContact O-CD1 3.29Å; F514-I539 WeakPolarHBondContact O-CD1 3.36Å; I516-I539 HydrophobicContact CG1-CD1 4.42Å; I516-I539 HydrophobicContact CG1-CG1 4.07Å; V536-I539 HydrophobicContact CG1-CD1 4.09Å; V536-I539 HydrophobicContact CG1-CG1 3.72Å; I539-H541 WeakPolarHBondContact CG2-O 3.4Å; I539-L544 HydrophobicContact CB-CD2 4.36Å; I539-L544 HydrophobicContact CD1-CD2 4.24Å; I539-L544 HydrophobicContact CG1-CD2 3.84Å; I539-L544 HydrophobicContact CG2-CD2 4.06Å
540	V	97.4	Very high	98.1	Very high	10 Å²	10	23.9 Å²	23.9	6%	0.061	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	93.9	176.7	179	0	0	0	0	107.3	F467 N471 I473 R538 R542 L543 W558	F467-V540 HydrophobicContact CE2-CG1 4.41Å; F467-V540 HydrophobicContact CZ-CG1 3.96Å; N471-V540 HydrophobicContact CB-CG1 3.64Å; N471-V540 VanDerWaalsContact CG-CG1 3.45Å; N471-V540 WeakPolarHBondContact OD1-CG1 3.46Å; I473-V540 HydrophobicContact CD1-CG1 4.3Å; I473-V540 HydrophobicContact CD1-CG2 4.28Å; R538-V540 HydrophobicContact CG-CG2 4.22Å; V540-R542 PolarHBondContact O-N 3.22Å; V540-R542 VanDerWaalsContact O-N 3.16Å; V540-L543 PolarHBondContact N-O 3.4Å; V540-L543 WeakPolarHBondContact O-CB 3.27Å; V540-L543 PolarHBondContact O-N 2.83Å; V540-W558 HydrophobicContact CG2-CH2 4.3Å; V540-W558 HydrophobicContact CG2-CZ3 4.44Å
541	H	96.4	Very high	98	Very high	106 Å²	106	28.6 Å²	28.6	49%	0.491	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	-116.7	-168	-53.1	-68.4	0	0	0	111.4	V509 H512 I539	V509-H541 HydrophobicContact CG1-CB 4Å; V509-H541 HydrophobicContact CG2-CB 3.82Å; H512-H541 PolarHBondContact NE2-O 2.69Å; I539-H541 WeakPolarHBondContact CG2-O 3.4Å
542	R	97.3	Very high	97.9	Very high	33 Å²	33	33.8 Å²	33.8	13%	0.125	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-12.4	175.3	65.9	-178.4	-62.4	129.9	6.1	114.2	E508 V540 D560 C561 E562	E508-R542 WeakPolarHBondContact O-CD 3.07Å; E508-R542 PolarHBondContact O-NH1 2.68Å; V540-R542 PolarHBondContact O-N 3.22Å; V540-R542 VanDerWaalsContact O-N 3.16Å; R542-D560 WeakPolarHBondContact CG-OD1 3.43Å; R542-D560 IonicContact CZ-OD1 3.78Å; R542-D560 IonicContact CZ-OD2 2.79Å; R542-D560 IonicContact NE-OD1 2.59Å; R542-D560 PolarHBondContact NE-OD1 2.83Å; R542-D560 IonicContact NE-OD2 3.82Å; R542-D560 IonicContact NH2-OD1 2.77Å; R542-D560 PolarHBondContact NH2-OD1 2.86Å; R542-D560 IonicContact NH2-OD2 3.17Å; R542-D560 PolarHBondContact NH2-OD2 2.69Å; R542-C561 VanDerWaalsContact O-CB 3.27Å; R542-C561 WeakPolarHBondContact O-CB 3.33Å; R542-C561 PolarHBondContact O-N 3.23Å; R542-C561 PolarHBondContact O-SG 3.36Å; R542-C561 VanDerWaalsContact O-SG 3.41Å; R542-E562 IonicContact CZ-OE2 3.44Å; R542-E562 IonicContact NH1-OE2 2.66Å; R542-E562 PolarHBondContact NH1-OE2 2.54Å; R542-E562 IonicContact NH2-OE2 2.67Å; R542-E562 PolarHBondContact NH2-OE2 2.65Å
543	L	98.1	Very high	97.7	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	127.3	-177.6	-169.3	69.9	0	0	0	111.1	I415 I423 F463 F467 I473 V540 W558	I415-L543 HydrophobicContact CD1-CD1 4.09Å; I423-L543 HydrophobicContact CD1-CD2 3.91Å; F463-L543 HydrophobicContact CE1-CD2 4.2Å; F463-L543 HydrophobicContact CZ-CD1 4.12Å; F463-L543 HydrophobicContact CZ-CD2 3.82Å; F467-L543 HydrophobicContact CE1-CD2 4.18Å; F467-L543 HydrophobicContact CZ-CD2 4.32Å; I473-L543 HydrophobicContact CD1-CD2 4.44Å; V540-L543 PolarHBondContact N-O 3.4Å; V540-L543 WeakPolarHBondContact O-CB 3.27Å; V540-L543 PolarHBondContact O-N 2.83Å; L543-W558 HydrophobicContact CD1-CB 4.37Å; L543-W558 HydrophobicContact CD2-CD2 4.02Å; L543-W558 HydrophobicContact CD2-CE3 3.62Å; L543-W558 HydrophobicContact CD2-CG 4.48Å; L543-W558 HydrophobicContact CD2-CZ3 4.04Å; L543-W558 HydrophobicContact CG-CD2 4.42Å; L543-W558 HydrophobicContact CG-CE3 3.68Å; L543-W558 HydrophobicContact CG-CZ3 4.17Å
544	L	98.7	Very high	97.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	141.2	178.9	-51.3	-178.8	0	0	0	110.4	F514 V536 I539 I546 W558 V559 C561 L566	F514-L544 HydrophobicContact CB-CD2 4.27Å; F514-L544 HydrophobicContact CD1-CD1 4.23Å; F514-L544 HydrophobicContact CD2-CD1 3.85Å; F514-L544 HydrophobicContact CE1-CD1 4.33Å; F514-L544 HydrophobicContact CE2-CD1 3.97Å; F514-L544 HydrophobicContact CG-CD1 3.98Å; F514-L544 HydrophobicContact CG-CD2 4.49Å; F514-L544 HydrophobicContact CZ-CD1 4.2Å; V536-L544 HydrophobicContact CG1-CD2 4.43Å; I539-L544 HydrophobicContact CB-CD2 4.36Å; I539-L544 HydrophobicContact CD1-CD2 4.24Å; I539-L544 HydrophobicContact CG1-CD2 3.84Å; I539-L544 HydrophobicContact CG2-CD2 4.06Å; L544-I546 HydrophobicContact CB-CD1 3.86Å; L544-I546 HydrophobicContact CB-CG1 4.36Å; L544-I546 HydrophobicContact CD1-CD1 4.26Å; L544-W558 WeakPolarHBondContact O-CA 3.32Å; L544-V559 WeakPolarHBondContact CA-O 3.34Å; L544-V559 WeakPolarHBondContact CB-O 3.44Å; L544-V559 PolarHBondContact N-O 3.01Å; L544-V559 PolarHBondContact O-N 3.25Å; L544-C561 HydrophobicContact CD1-CB 4Å; L544-C561 HydrophobicContact CD2-CB 4.24Å; L544-C561 HydrophobicContact CG-CB 4.03Å; L544-L566 HydrophobicContact CD1-CD1 4.03Å
545	R	98.6	Very high	97.4	Very high	39 Å²	39	50.9 Å²	50.9	15%	0.147	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125.3	161.2	-169.1	73.4	170	179.4	6.1	108.1	S421 V536 T537 R538 D556 W558	S421-R545 PolarHBondContact O-NH1 2.88Å; V536-R545 WeakPolarHBondContact CA-O 3.31Å; T537-R545 PolarHBondContact N-O 2.91Å; T537-R545 VanDerWaalsContact OG1-CG 3.28Å; T537-R545 WeakPolarHBondContact OG1-CG 3.24Å; T537-R545 PolarHBondContact OG1-O 3.19Å; R538-R545 HydrophobicContact CB-CB 3.7Å; R538-R545 PolarHBondContact O-N 3.34Å; R545-D556 HydrophobicContact CG-CB 4.06Å; R545-D556 IonicContact NE-OD2 2.68Å; R545-D556 PolarHBondContact NH1-O 2.76Å; R545-D556 PolarHBondContact NH2-O 2.96Å; R545-D556 VanDerWaalsContact NH2-O 3.15Å; R545-W558 HydrophobicContact CB-CE3 4.01Å; R545-W558 HydrophobicContact CB-CH2 4.19Å; R545-W558 HydrophobicContact CB-CZ3 3.76Å
546	I	98.8	Very high	97.4	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.6	-176.7	-54.6	-60.5	0	0	0	108.7	L520 A522 A534 V536 L544 D556 Q557 V559 L566	L520-I546 HydrophobicContact CD1-CG2 4.42Å; L520-I546 HydrophobicContact CD2-CD1 4.31Å; A522-I546 HydrophobicContact CB-CG2 3.71Å; A534-I546 HydrophobicContact CB-CG2 3.9Å; V536-I546 HydrophobicContact CG2-CD1 4.03Å; L544-I546 HydrophobicContact CB-CD1 3.86Å; L544-I546 HydrophobicContact CB-CG1 4.36Å; L544-I546 HydrophobicContact CD1-CD1 4.26Å; I546-D556 CarbonylContact O-C 3.58Å; I546-D556 WeakPolarHBondContact O-CA 3.39Å; I546-D556 WeakPolarHBondContact O-CB 3.31Å; I546-Q557 PolarHBondContact N-O 3.21Å; I546-Q557 PolarHBondContact O-N 3.17Å; I546-V559 HydrophobicContact CG1-CB 4.05Å; I546-V559 HydrophobicContact CG1-CG2 3.98Å; I546-L566 HydrophobicContact CD1-CD1 4.06Å; I546-L566 HydrophobicContact CD1-CD2 4.27Å; I546-L566 HydrophobicContact CG1-CD1 4.29Å; I546-L566 HydrophobicContact CG1-CD2 4Å; I546-L566 HydrophobicContact CG2-CD2 4.34Å
547	H	98.7	Very high	97.3	Very high	30 Å²	30	50.9 Å²	50.9	14%	0.139	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	141.4	175.8	175	76.7	0	0	0	111	A534 T535 T537 D549 W551 D553 D556	A534-H547 CarbonylContact C-O 3.53Å; A534-H547 WeakPolarHBondContact CA-O 3.07Å; A534-H547 WeakPolarHBondContact CB-O 3.45Å; T535-H547 PolarHBondContact N-O 2.83Å; T535-H547 PolarHBondContact O-N 3.01Å; T537-H547 HydrophobicContact CG2-CB 3.42Å; T537-H547 VanDerWaalsContact CG2-CB 3.42Å; H547-D549 IonicContact CD2-OD1 2.65Å; H547-W551 PolarHBondContact CE1-O 3.11Å; H547-D553 IonicContact CE1-OD1 3.31Å; H547-D556 VanDerWaalsContact CA-OD1 3.31Å; H547-D556 WeakPolarHBondContact CA-OD1 3.45Å; H547-D556 WeakPolarHBondContact CB-OD1 3.41Å; H547-D556 IonicContact CE1-OD1 3.45Å; H547-D556 IonicContact CG-OD1 3.46Å; H547-D556 IonicContact ND1-OD1 2.74Å; H547-D556 PolarHBondContact ND1-OD1 3.36Å
548	F	98.4	Very high	97.4	Very high	9 Å²	9	48.8 Å²	48.8	4%	0.039	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	115.2	174.5	-61.1	-77.1	0	0	0	110.1	A522 D524 C532 A534 G550 W551 Y555 Q557	A522-F548 HydrophobicContact CB-CE1 3.85Å; D524-F548 HydrophobicContact CB-CE1 4.46Å; D524-F548 HydrophobicContact CB-CZ 4.33Å; C532-F548 HydrophobicContact CB-CD1 3.62Å; C532-F548 HydrophobicContact CB-CE1 4.07Å; A534-F548 HydrophobicContact CB-CD1 4.27Å; F548-G550 PolarHBondContact O-N 2.63Å; F548-W551 HydrophobicContact CB-CB 4.43Å; F548-W551 HydrophobicContact CB-CG 4.36Å; F548-W551 WeakPolarHBondContact O-CB 3.38Å; F548-W551 PolarHBondContact O-N 2.69Å; F548-Y555 WeakPolarHBondContact CD2-O 3.42Å; F548-Y555 WeakPolarHBondContact CE2-O 3.15Å; F548-Q557 HydrophobicContact CE2-CB 4.5Å; F548-Q557 HydrophobicContact CE2-CG 3.95Å; F548-Q557 HydrophobicContact CZ-CG 4.47Å
549	D	97.3	Very high	97.4	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.032	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	122.4	-162.9	-73.5	3.9	0	0	0	112.6	Y170 K519 V533 T535 H547 P582 A583	Y170-D549 PolarHBondContact OH-OD2 3.16Å; K519-D549 IonicContact NZ-OD1 3.36Å; K519-D549 PolarHBondContact NZ-OD1 2.82Å; K519-D549 IonicContact NZ-OD2 3.56Å; K519-D549 PolarHBondContact NZ-OD2 3.28Å; V533-D549 HydrophobicContact CG1-CB 4.07Å; V533-D549 WeakPolarHBondContact CG1-OD2 3.37Å; V533-D549 PolarHBondContact O-N 3.36Å; T535-D549 PolarHBondContact OG1-OD1 2.92Å; H547-D549 IonicContact CD2-OD1 2.65Å; D549-P582 HydrophobicContact CB-CB 3.94Å; D549-P582 HydrophobicContact CB-CG 4.13Å; D549-P582 CarbonylContact O-C 3.54Å; D549-P582 WeakPolarHBondContact O-CA 3.38Å; D549-P582 WeakPolarHBondContact O-CB 3.13Å; D549-A583 PolarHBondContact O-N 3.16Å
550	G	95.6	Very high	97.3	Very high	31 Å²	31	44.2 Å²	44.2	32%	0.32	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	89	-6.7	178.1	0	0	0	0	0	115.3	F548	F548-G550 PolarHBondContact O-N 2.63Å
551	W	96.2	Very high	97.4	Very high	129 Å²	129	44 Å²	44	49%	0.489	21%	0.207	S	C	.	.	S	Bend	trans	-85.6	171.4	166.8	-62.6	91.9	0	0	0	111	H547 F548 Y555 A583	H547-W551 PolarHBondContact CE1-O 3.11Å; F548-W551 HydrophobicContact CB-CB 4.43Å; F548-W551 HydrophobicContact CB-CG 4.36Å; F548-W551 WeakPolarHBondContact O-CB 3.38Å; F548-W551 PolarHBondContact O-N 2.69Å; W551-Y555 HydrophobicContact CB-CD2 4.34Å; W551-Y555 HydrophobicContact CE3-CE2 4.46Å; W551-A583 HydrophobicContact CD2-CB 4.06Å; W551-A583 HydrophobicContact CG-CB 4.23Å; W551-A583 HydrophobicContact CZ2-CB 4.25Å
552	E	95.6	Very high	97.4	Very high	109 Å²	109	42.1 Å²	42.1	51%	0.509	20%	0.198	S	C	.	.			trans	-82.5	146.8	176.8	-55.7	100.1	144.3	0	0	113.1	E554 Y555	E552-E554 VanDerWaalsContact CB-OE2 3.28Å; E552-E554 WeakPolarHBondContact CB-OE2 3.46Å; E552-E554 PolarHBondContact O-N 2.94Å; E552-Y555 HydrophobicContact CB-CD2 4.43Å; E552-Y555 WeakPolarHBondContact O-CB 3.35Å; E552-Y555 WeakPolarHBondContact O-CD2 3.31Å; E552-Y555 PolarHBondContact O-N 2.83Å
553	D	95.3	Very high	97.5	Very high	116 Å²	116	41.4 Å²	41.4	62%	0.62	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-57.1	-16	-174.3	-51.5	6.4	0	0	0	115.1	H547 Y555 D556	H547-D553 IonicContact CE1-OD1 3.31Å; D553-Y555 PolarHBondContact O-N 3.34Å; D553-D556 WeakPolarHBondContact O-CB 3.21Å; D553-D556 PolarHBondContact O-N 3.08Å
554	E	94	Very high	97.5	Very high	149 Å²	149	42 Å²	42	70%	0.696	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-68.5	-14.9	172	-59.8	118.9	146.6	0	0	112.9	E552	E552-E554 VanDerWaalsContact CB-OE2 3.28Å; E552-E554 WeakPolarHBondContact CB-OE2 3.46Å; E552-E554 PolarHBondContact O-N 2.94Å
555	Y	95.9	Very high	97.5	Very high	107 Å²	107	42.7 Å²	42.7	42%	0.42	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-90.8	-9.6	172.9	-68.7	-76.7	0	0	0	113.7	F548 W551 E552 D553	F548-Y555 WeakPolarHBondContact CD2-O 3.42Å; F548-Y555 WeakPolarHBondContact CE2-O 3.15Å; W551-Y555 HydrophobicContact CB-CD2 4.34Å; W551-Y555 HydrophobicContact CE3-CE2 4.46Å; E552-Y555 HydrophobicContact CB-CD2 4.43Å; E552-Y555 WeakPolarHBondContact O-CB 3.35Å; E552-Y555 WeakPolarHBondContact O-CD2 3.31Å; E552-Y555 PolarHBondContact O-N 2.83Å; D553-Y555 PolarHBondContact O-N 3.34Å
556	D	98.2	Very high	97.5	Very high	8 Å²	8	41 Å²	41	4%	0.043	20%	0.2	C	C	.	.			trans	-60.3	138.2	177.2	-79.5	34	0	0	0	111.2	S421 T537 R545 I546 H547 D553	S421-D556 VanDerWaalsContact CA-O 3.22Å; S421-D556 WeakPolarHBondContact CA-O 3.4Å; S421-D556 WeakPolarHBondContact CB-O 3.29Å; T537-D556 PolarHBondContact OG1-OD2 2.85Å; R545-D556 HydrophobicContact CG-CB 4.06Å; R545-D556 IonicContact NE-OD2 2.68Å; R545-D556 PolarHBondContact NH1-O 2.76Å; R545-D556 PolarHBondContact NH2-O 2.96Å; R545-D556 VanDerWaalsContact NH2-O 3.15Å; I546-D556 CarbonylContact O-C 3.58Å; I546-D556 WeakPolarHBondContact O-CA 3.39Å; I546-D556 WeakPolarHBondContact O-CB 3.31Å; H547-D556 VanDerWaalsContact CA-OD1 3.31Å; H547-D556 WeakPolarHBondContact CA-OD1 3.45Å; H547-D556 WeakPolarHBondContact CB-OD1 3.41Å; H547-D556 IonicContact CE1-OD1 3.45Å; H547-D556 IonicContact CG-OD1 3.46Å; H547-D556 IonicContact ND1-OD1 2.74Å; H547-D556 PolarHBondContact ND1-OD1 3.36Å; D553-D556 WeakPolarHBondContact O-CB 3.21Å; D553-D556 PolarHBondContact O-N 3.08Å
557	Q	98.5	Very high	97.5	Very high	6 Å²	6	41 Å²	41	3%	0.028	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	143.4	-175.9	-68	170.9	16.5	0	0	111.7	L420 D524 I546 F548 V559	L420-Q557 HydrophobicContact CB-CB 4.27Å; L420-Q557 HydrophobicContact CB-CG 4.11Å; D524-Q557 PolarHBondContact OD1-NE2 2.94Å; I546-Q557 PolarHBondContact N-O 3.21Å; I546-Q557 PolarHBondContact O-N 3.17Å; F548-Q557 HydrophobicContact CE2-CB 4.5Å; F548-Q557 HydrophobicContact CE2-CG 3.95Å; F548-Q557 HydrophobicContact CZ-CG 4.47Å; Q557-V559 HydrophobicContact CB-CG2 4.06Å
558	W	98.6	Very high	97.5	Very high	12 Å²	12	39.5 Å²	39.5	5%	0.045	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	120.4	168.1	-75	120.3	0	0	0	109.7	I415 L420 I423 I473 R538 V540 L543 L544 R545	I415-W558 HydrophobicContact CD1-CB 3.98Å; I415-W558 HydrophobicContact CG1-CB 4.45Å; L420-W558 PolarHBondContact O-N 2.87Å; I423-W558 HydrophobicContact CD1-CD2 4.46Å; I423-W558 HydrophobicContact CD1-CG 4.36Å; I423-W558 HydrophobicContact CG1-CG 4.24Å; I473-W558 HydrophobicContact CB-CZ2 4.38Å; I473-W558 HydrophobicContact CD1-CH2 3.96Å; I473-W558 HydrophobicContact CD1-CZ2 3.98Å; I473-W558 HydrophobicContact CG1-CH2 4.02Å; I473-W558 HydrophobicContact CG1-CZ2 3.9Å; I473-W558 HydrophobicContact CG2-CZ2 3.66Å; R538-W558 HydrophobicContact CG-CH2 4.48Å; V540-W558 HydrophobicContact CG2-CH2 4.3Å; V540-W558 HydrophobicContact CG2-CZ3 4.44Å; L543-W558 HydrophobicContact CD1-CB 4.37Å; L543-W558 HydrophobicContact CD2-CD2 4.02Å; L543-W558 HydrophobicContact CD2-CE3 3.62Å; L543-W558 HydrophobicContact CD2-CG 4.48Å; L543-W558 HydrophobicContact CD2-CZ3 4.04Å; L543-W558 HydrophobicContact CG-CD2 4.42Å; L543-W558 HydrophobicContact CG-CE3 3.68Å; L543-W558 HydrophobicContact CG-CZ3 4.17Å; L544-W558 WeakPolarHBondContact O-CA 3.32Å; R545-W558 HydrophobicContact CB-CE3 4.01Å; R545-W558 HydrophobicContact CB-CH2 4.19Å; R545-W558 HydrophobicContact CB-CZ3 3.76Å
559	V	98.3	Very high	97.5	Very high	9 Å²	9	39.1 Å²	39.1	6%	0.055	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	142.7	-173	-171.5	0	0	0	0	109.7	L525 L544 I546 Q557 S563 L566	L525-V559 HydrophobicContact CD1-CG2 4.12Å; L544-V559 WeakPolarHBondContact CA-O 3.34Å; L544-V559 WeakPolarHBondContact CB-O 3.44Å; L544-V559 PolarHBondContact N-O 3.01Å; L544-V559 PolarHBondContact O-N 3.25Å; I546-V559 HydrophobicContact CG1-CB 4.05Å; I546-V559 HydrophobicContact CG1-CG2 3.98Å; Q557-V559 HydrophobicContact CB-CG2 4.06Å; V559-S563 WeakPolarHBondContact CG1-OG 3.13Å; V559-L566 HydrophobicContact CB-CD1 4.25Å; V559-L566 HydrophobicContact CG1-CD1 3.74Å; V559-L566 HydrophobicContact CG1-CD2 4.12Å; V559-L566 HydrophobicContact CG1-CG 3.84Å
560	D	98.4	Very high	97.5	Very high	15 Å²	15	38.8 Å²	38.8	8%	0.08	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	148	176.3	-173.6	65.9	0	0	0	112.6	P460 R542 E562 S563	P460-D560 HydrophobicContact CB-CB 3.79Å; P460-D560 VanDerWaalsContact CB-CG 3.46Å; P460-D560 WeakPolarHBondContact CB-OD1 3.43Å; P460-D560 HydrophobicContact CG-CB 3.56Å; R542-D560 WeakPolarHBondContact CG-OD1 3.43Å; R542-D560 IonicContact CZ-OD1 3.78Å; R542-D560 IonicContact CZ-OD2 2.79Å; R542-D560 IonicContact NE-OD1 2.59Å; R542-D560 PolarHBondContact NE-OD1 2.83Å; R542-D560 IonicContact NE-OD2 3.82Å; R542-D560 IonicContact NH2-OD1 2.77Å; R542-D560 PolarHBondContact NH2-OD1 2.86Å; R542-D560 IonicContact NH2-OD2 3.17Å; R542-D560 PolarHBondContact NH2-OD2 2.69Å; D560-E562 PolarHBondContact O-N 3.48Å; D560-E562 WeakPolarHBondContact OD2-CB 3.45Å; D560-E562 PolarHBondContact OD2-N 3.46Å; D560-S563 WeakPolarHBondContact O-CB 3.25Å; D560-S563 PolarHBondContact O-N 2.86Å
561	C	98.2	Very high	97.6	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.034	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.6	178.6	67.1	0	0	0	0	114.3	H512 F514 R542 L544	H512-C561 HydrophobicContact CB-CB 3.8Å; H512-C561 PolarHBondContact CD2-SG 3.47Å; F514-C561 HydrophobicContact CD2-CB 4.08Å; F514-C561 HydrophobicContact CE2-CB 4.17Å; F514-C561 WeakPolarHBondContact CE2-O 3.18Å; R542-C561 VanDerWaalsContact O-CB 3.27Å; R542-C561 WeakPolarHBondContact O-CB 3.33Å; R542-C561 PolarHBondContact O-N 3.23Å; R542-C561 PolarHBondContact O-SG 3.36Å; R542-C561 VanDerWaalsContact O-SG 3.41Å; L544-C561 HydrophobicContact CD1-CB 4Å; L544-C561 HydrophobicContact CD2-CB 4.24Å; L544-C561 HydrophobicContact CG-CB 4.03Å
562	E	97.6	Very high	97.7	Very high	66 Å²	66	31.5 Å²	31.5	31%	0.308	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	8	174.7	-53.6	-171.5	104.4	0	0	112.5	K185 P510 R542 D560	K185-E562 WeakPolarHBondContact CE-OE1 3.34Å; K185-E562 IonicContact NZ-OE1 2.68Å; K185-E562 PolarHBondContact NZ-OE1 3.08Å; P510-E562 HydrophobicContact CG-CG 4.24Å; R542-E562 IonicContact CZ-OE2 3.44Å; R542-E562 IonicContact NH1-OE2 2.66Å; R542-E562 PolarHBondContact NH1-OE2 2.54Å; R542-E562 IonicContact NH2-OE2 2.67Å; R542-E562 PolarHBondContact NH2-OE2 2.65Å; D560-E562 PolarHBondContact O-N 3.48Å; D560-E562 WeakPolarHBondContact OD2-CB 3.45Å; D560-E562 PolarHBondContact OD2-N 3.46Å
563	S	98.2	Very high	97.7	Very high	19 Å²	19	31.4 Å²	31.4	13%	0.133	15%	0.153	C	C	.	.			trans	-54.9	135.5	-178.3	177.4	0	0	0	0	112.8	H186 V559 D560 D565	H186-S563 PolarHBondContact CE1-O 3.13Å; H186-S563 PolarHBondContact ND1-O 3.32Å; V559-S563 WeakPolarHBondContact CG1-OG 3.13Å; D560-S563 WeakPolarHBondContact O-CB 3.25Å; D560-S563 PolarHBondContact O-N 2.86Å; S563-D565 PolarHBondContact O-N 3.02Å; S563-D565 PolarHBondContact OG-N 2.88Å
564	P	98.2	Very high	97.7	Very high	17 Å²	17	27.1 Å²	27.1	11%	0.11	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	7	178.6	37.3	-38.4	0	0	0	114.1	H354 Y567	H354-P564 HydrophobicContact CB-CB 3.72Å; H354-P564 HydrophobicContact CB-CG 4.18Å; H354-P564 WeakPolarHBondContact CB-O 3.39Å; P564-Y567 WeakPolarHBondContact O-CE1 3.38Å; P564-Y567 PolarHBondContact O-OH 2.95Å
565	D	98.7	Very high	97.8	Very high	13 Å²	13	21 Å²	21	7%	0.07	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	13.7	-176.5	-71.2	-76.5	0	0	0	112.7	R338 V523 L525 S563	R338-D565 IonicContact CZ-OD1 3.96Å; R338-D565 IonicContact NH1-OD1 2.65Å; R338-D565 PolarHBondContact NH1-OD1 2.81Å; R338-D565 IonicContact NH2-OD1 3.22Å; R338-D565 PolarHBondContact NH2-OD1 2.76Å; V523-D565 HydrophobicContact CB-CB 3.99Å; V523-D565 WeakPolarHBondContact CB-O 3.47Å; V523-D565 HydrophobicContact CG2-CB 3.85Å; V523-D565 VanDerWaalsContact CG2-O 3.28Å; V523-D565 WeakPolarHBondContact CG2-O 3.28Å; V523-D565 PolarHBondContact N-O 3.39Å; L525-D565 HydrophobicContact CD2-CB 3.95Å; S563-D565 PolarHBondContact O-N 3.02Å; S563-D565 PolarHBondContact OG-N 2.88Å
566	L	98.9	Very high	97.8	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.021	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.8	169.2	-57	178.4	0	0	0	109.4	F184 H186 L520 A522 L544 I546 V559	F184-L566 HydrophobicContact CD1-CB 4.3Å; F184-L566 WeakPolarHBondContact CD1-O 3.32Å; F184-L566 HydrophobicContact CE1-CB 3.98Å; H186-L566 PolarHBondContact CE1-O 3.21Å; H186-L566 PolarHBondContact NE2-O 2.74Å; H186-L566 VanDerWaalsContact NE2-O 3.13Å; L520-L566 HydrophobicContact CD1-CD2 4.14Å; A522-L566 HydrophobicContact CB-CD2 3.77Å; L544-L566 HydrophobicContact CD1-CD1 4.03Å; I546-L566 HydrophobicContact CD1-CD1 4.06Å; I546-L566 HydrophobicContact CD1-CD2 4.27Å; I546-L566 HydrophobicContact CG1-CD1 4.29Å; I546-L566 HydrophobicContact CG1-CD2 4Å; I546-L566 HydrophobicContact CG2-CD2 4.34Å; V559-L566 HydrophobicContact CB-CD1 4.25Å; V559-L566 HydrophobicContact CG1-CD1 3.74Å; V559-L566 HydrophobicContact CG1-CD2 4.12Å; V559-L566 HydrophobicContact CG1-CG 3.84Å
567	Y	98.9	Very high	97.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	152.9	-172.9	-54.8	-59.1	0	0	0	113.6	F184 H186 R338 L520 E521 V523 V531 P564 W571	F184-Y567 VanDerWaalsContact CE1-C 3.47Å; H186-Y567 AromaticContact CD2-CE1 3.84Å; H186-Y567 AromaticContact NE2-CD1 3.38Å; H186-Y567 WeakPolarHBondContact NE2-CD1 3.46Å; H186-Y567 AromaticContact NE2-CE1 3.27Å; H186-Y567 VanDerWaalsContact NE2-CE1 3.27Å; H186-Y567 WeakPolarHBondContact NE2-CE1 3.34Å; R338-Y567 WeakPolarHBondContact CG-OH 3.48Å; R338-Y567 PolarHBondContact NH1-OH 3.16Å; L520-Y567 WeakPolarHBondContact CB-O 3.21Å; E521-Y567 PolarHBondContact N-O 2.99Å; E521-Y567 PolarHBondContact O-N 2.76Å; V523-Y567 HydrophobicContact CG2-CE2 3.82Å; V531-Y567 HydrophobicContact CG1-CD2 4.31Å; V531-Y567 HydrophobicContact CG2-CE2 4.4Å; P564-Y567 WeakPolarHBondContact O-CE1 3.38Å; P564-Y567 PolarHBondContact O-OH 2.95Å; Y567-W571 AromaticContact CD1-CD1 3.98Å; Y567-W571 HydrophobicContact CD1-CD2 4.05Å; Y567-W571 AromaticContact CD1-CE2 3.85Å; Y567-W571 HydrophobicContact CD1-CG 4.18Å; Y567-W571 HydrophobicContact CD1-CZ2 4.42Å; Y567-W571 AromaticContact CD1-NE1 3.75Å; Y567-W571 AromaticContact CD2-CD2 3.78Å; Y567-W571 HydrophobicContact CD2-CD2 3.78Å; Y567-W571 AromaticContact CD2-CE3 3.64Å; Y567-W571 HydrophobicContact CD2-CE3 3.64Å; Y567-W571 HydrophobicContact CD2-CG 4.44Å; Y567-W571 HydrophobicContact CD2-CH2 4.21Å; Y567-W571 HydrophobicContact CD2-CZ2 4.28Å; Y567-W571 AromaticContact CD2-CZ3 3.88Å; Y567-W571 HydrophobicContact CD2-CZ3 3.88Å; Y567-W571 HydrophobicContact CE1-CZ2 4.22Å; Y567-W571 HydrophobicContact CE2-CD2 4.39Å; Y567-W571 HydrophobicContact CE2-CE3 4.21Å; Y567-W571 AromaticContact CE2-CH2 3.94Å; Y567-W571 HydrophobicContact CE2-CH2 3.94Å; Y567-W571 HydrophobicContact CE2-CZ2 4.05Å; Y567-W571 AromaticContact CE2-CZ3 4Å; Y567-W571 HydrophobicContact CE2-CZ3 4Å; Y567-W571 HydrophobicContact CG-CB 4.42Å; Y567-W571 AromaticContact CG-CD2 3.6Å; Y567-W571 HydrophobicContact CG-CD2 3.6Å; Y567-W571 AromaticContact CG-CE2 3.86Å; Y567-W571 AromaticContact CG-CE3 3.95Å; Y567-W571 HydrophobicContact CG-CE3 3.95Å; Y567-W571 AromaticContact CG-CG 3.82Å; Y567-W571 HydrophobicContact CG-CG 3.82Å; Y567-W571 HydrophobicContact CG-CZ2 4.47Å
568	P	98.6	Very high	97.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.146	C	C	.	.			trans	-63.6	150.3	174.2	-10.7	21.5	0	0	0	112	V181 F184 A187 F227 G570 W571	V181-P568 HydrophobicContact CB-CG 4.29Å; V181-P568 HydrophobicContact CG1-CG 4.14Å; V181-P568 HydrophobicContact CG2-CB 3.96Å; V181-P568 HydrophobicContact CG2-CG 4.17Å; F184-P568 HydrophobicContact CB-CG 3.98Å; F184-P568 HydrophobicContact CD2-CB 3.93Å; F184-P568 HydrophobicContact CD2-CG 3.48Å; F184-P568 VanDerWaalsContact CD2-CG 3.48Å; F184-P568 HydrophobicContact CE2-CB 3.97Å; F184-P568 HydrophobicContact CE2-CG 4.02Å; F184-P568 HydrophobicContact CG-CG 3.8Å; A187-P568 HydrophobicContact CB-CG 3.96Å; F227-P568 HydrophobicContact CD2-CB 3.9Å; F227-P568 HydrophobicContact CD2-CG 4.18Å; F227-P568 HydrophobicContact CE2-CB 3.78Å; F227-P568 HydrophobicContact CE2-CG 3.53Å; F227-P568 HydrophobicContact CZ-CB 4.47Å; F227-P568 HydrophobicContact CZ-CG 3.92Å; P568-G570 PolarHBondContact O-N 3.35Å; P568-W571 VanDerWaalsContact O-CB 3.25Å; P568-W571 WeakPolarHBondContact O-CB 3.18Å; P568-W571 PolarHBondContact O-N 2.61Å
569	V	98.6	Very high	97.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	125.5	170.6	165.8	0	0	0	0	110.8	W167 I171 A225 F227 K228 K519	W167-V569 HydrophobicContact CB-CG1 4.17Å; W167-V569 HydrophobicContact CD2-CG1 3.67Å; W167-V569 HydrophobicContact CD2-CG2 4.29Å; W167-V569 HydrophobicContact CE3-CG1 4.1Å; W167-V569 HydrophobicContact CE3-CG2 4.24Å; W167-V569 HydrophobicContact CG-CG1 3.73Å; W167-V569 HydrophobicContact CH2-CG2 3.85Å; W167-V569 HydrophobicContact CZ2-CG2 3.91Å; W167-V569 HydrophobicContact CZ3-CG2 4.03Å; I171-V569 HydrophobicContact CD1-CG1 3.93Å; A225-V569 HydrophobicContact CB-CG1 4.25Å; A225-V569 WeakPolarHBondContact O-CB 3.36Å; A225-V569 WeakPolarHBondContact O-CG1 3.49Å; F227-V569 PolarHBondContact N-O 2.81Å; K228-V569 HydrophobicContact CB-CG1 4.27Å; K228-V569 HydrophobicContact CG-CG1 3.84Å; K519-V569 HydrophobicContact CB-CG2 4.3Å; K519-V569 WeakPolarHBondContact O-CG2 3.3Å
570	G	97.3	Very high	97.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.7	1.9	-178.3	0	0	0	0	0	115.5	N247 E521 P568 Q573 L574	N247-G570 PolarHBondContact ND2-O 2.66Å; N247-G570 VanDerWaalsContact ND2-O 3.14Å; E521-G570 WeakPolarHBondContact OE1-CA 3.22Å; E521-G570 PolarHBondContact OE1-N 3.08Å; P568-G570 PolarHBondContact O-N 3.35Å; G570-Q573 PolarHBondContact O-N 2.88Å; G570-L574 PolarHBondContact O-N 2.9Å
571	W	98.5	Very high	97.3	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-61.5	-42.7	177.3	173.4	94.7	0	0	0	112.1	F227 G336 R338 E521 V531 Y567 P568 Q573 L574 T575 Y577	F227-W571 HydrophobicContact CD2-CB 4.23Å; F227-W571 HydrophobicContact CE2-CB 3.93Å; G336-W571 WeakPolarHBondContact O-CZ2 3.46Å; R338-W571 HydrophobicContact CG-CH2 3.92Å; R338-W571 HydrophobicContact CG-CZ2 4.11Å; E521-W571 WeakPolarHBondContact OE2-CB 3.35Å; E521-W571 PolarHBondContact OE2-N 3.21Å; V531-W571 HydrophobicContact CG1-CZ3 4.44Å; V531-W571 HydrophobicContact CG2-CZ3 4.18Å; Y567-W571 AromaticContact CD1-CD1 3.98Å; Y567-W571 HydrophobicContact CD1-CD2 4.05Å; Y567-W571 AromaticContact CD1-CE2 3.85Å; Y567-W571 HydrophobicContact CD1-CG 4.18Å; Y567-W571 HydrophobicContact CD1-CZ2 4.42Å; Y567-W571 AromaticContact CD1-NE1 3.75Å; Y567-W571 AromaticContact CD2-CD2 3.78Å; Y567-W571 HydrophobicContact CD2-CD2 3.78Å; Y567-W571 AromaticContact CD2-CE3 3.64Å; Y567-W571 HydrophobicContact CD2-CE3 3.64Å; Y567-W571 HydrophobicContact CD2-CG 4.44Å; Y567-W571 HydrophobicContact CD2-CH2 4.21Å; Y567-W571 HydrophobicContact CD2-CZ2 4.28Å; Y567-W571 AromaticContact CD2-CZ3 3.88Å; Y567-W571 HydrophobicContact CD2-CZ3 3.88Å; Y567-W571 HydrophobicContact CE1-CZ2 4.22Å; Y567-W571 HydrophobicContact CE2-CD2 4.39Å; Y567-W571 HydrophobicContact CE2-CE3 4.21Å; Y567-W571 AromaticContact CE2-CH2 3.94Å; Y567-W571 HydrophobicContact CE2-CH2 3.94Å; Y567-W571 HydrophobicContact CE2-CZ2 4.05Å; Y567-W571 AromaticContact CE2-CZ3 4Å; Y567-W571 HydrophobicContact CE2-CZ3 4Å; Y567-W571 HydrophobicContact CG-CB 4.42Å; Y567-W571 AromaticContact CG-CD2 3.6Å; Y567-W571 HydrophobicContact CG-CD2 3.6Å; Y567-W571 AromaticContact CG-CE2 3.86Å; Y567-W571 AromaticContact CG-CE3 3.95Å; Y567-W571 HydrophobicContact CG-CE3 3.95Å; Y567-W571 AromaticContact CG-CG 3.82Å; Y567-W571 HydrophobicContact CG-CG 3.82Å; Y567-W571 HydrophobicContact CG-CZ2 4.47Å; P568-W571 VanDerWaalsContact O-CB 3.25Å; P568-W571 WeakPolarHBondContact O-CB 3.18Å; P568-W571 PolarHBondContact O-N 2.61Å; W571-Q573 VanDerWaalsContact C-N 3.31Å; W571-Q573 PolarHBondContact O-N 3.06Å; W571-L574 PolarHBondContact O-N 3.1Å; W571-L574 VanDerWaalsContact O-N 3.16Å; W571-T575 HydrophobicContact CD2-CG2 4.13Å; W571-T575 HydrophobicContact CG-CG2 4.33Å; W571-T575 HydrophobicContact CZ2-CG2 4.05Å; W571-T575 WeakPolarHBondContact O-CB 3.39Å; W571-T575 WeakPolarHBondContact O-CG2 3.42Å; W571-T575 PolarHBondContact O-N 3.07Å; W571-T575 PolarHBondContact O-OG1 2.95Å; W571-Y577 AromaticContact CH2-CD2 3.98Å; W571-Y577 HydrophobicContact CH2-CD2 3.98Å; W571-Y577 AromaticContact CH2-CG 3.93Å; W571-Y577 HydrophobicContact CH2-CG 3.93Å; W571-Y577 HydrophobicContact CZ3-CD1 4.22Å; W571-Y577 HydrophobicContact CZ3-CD2 4.3Å; W571-Y577 AromaticContact CZ3-CG 3.78Å; W571-Y577 HydrophobicContact CZ3-CG 3.78Å
572	C	98	Very high	97.1	Very high	5 Å²	5	33 Å²	33	3%	0.034	19%	0.188	C	C	.	.	H	α-helix	trans	-57.7	-42.4	173.5	-85.1	0	0	0	0	111.6	E521 G576 Y577 L579	E521-C572 WeakPolarHBondContact OE2-CB 3.05Å; E521-C572 PolarHBondContact OE2-N 3.24Å; E521-C572 PolarHBondContact OE2-SG 2.88Å; C572-G576 CarbonylContact O-C 3.59Å; C572-G576 WeakPolarHBondContact O-CA 3.42Å; C572-G576 PolarHBondContact O-N 3.18Å; C572-Y577 VanDerWaalsContact CB-O 3.25Å; C572-Y577 WeakPolarHBondContact CB-O 3.35Å; C572-Y577 PolarHBondContact O-N 3.07Å; C572-Y577 VanDerWaalsContact O-N 3.08Å; C572-L579 HydrophobicContact CB-CB 3.79Å
573	Q	95.4	Very high	96.8	Very high	108 Å²	108	31.2 Å²	31.2	51%	0.505	19%	0.185	S	C	.	.	H	α-helix	trans	-66.1	-39.9	176.4	-173	-173.9	-2.4	0	0	111.8	G570 W571	G570-Q573 PolarHBondContact O-N 2.88Å; W571-Q573 VanDerWaalsContact C-N 3.31Å; W571-Q573 PolarHBondContact O-N 3.06Å
574	L	95.6	Very high	95.8	Very high	26 Å²	26	34.9 Å²	34.9	14%	0.136	21%	0.211	C	C	.	.	H	α-helix	trans	-68.5	-37.8	179.8	177	57.4	0	0	0	112.5	P188 F227 C249 M305 G570 W571	P188-L574 HydrophobicContact CB-CD2 4.43Å; F227-L574 HydrophobicContact CD1-CD2 4.08Å; F227-L574 HydrophobicContact CD2-CD2 4.27Å; F227-L574 HydrophobicContact CE1-CD2 3.95Å; F227-L574 HydrophobicContact CE2-CD2 4.12Å; F227-L574 HydrophobicContact CG-CD2 4.24Å; F227-L574 HydrophobicContact CZ-CD2 3.97Å; C249-L574 HydrophobicContact CB-CD1 3.49Å; C249-L574 VanDerWaalsContact CB-CD1 3.49Å; C249-L574 HydrophobicContact CB-CD2 3.76Å; C249-L574 HydrophobicContact CB-CG 4.26Å; C249-L574 WeakPolarHBondContact O-CD1 3.5Å; M305-L574 HydrophobicContact CE-CD1 4.25Å; M305-L574 HydrophobicContact CE-CG 4.03Å; M305-L574 WeakPolarHBondContact CE-O 3.32Å; M305-L574 HydrophobicContact SD-CD2 4.29Å; M305-L574 HydrophobicContact SD-CG 4.11Å; G570-L574 PolarHBondContact O-N 2.9Å; W571-L574 PolarHBondContact O-N 3.1Å; W571-L574 VanDerWaalsContact O-N 3.16Å
575	T	95.9	Very high	93.6	Very high	20 Å²	20	42.6 Å²	42.6	12%	0.123	25%	0.245	C	C	.	.	H	α-helix	trans	-95.9	-12	-173.2	58.5	0	0	0	0	114.2	M305 I335 G336 W571 Y577	M305-T575 HydrophobicContact CE-CG2 4.26Å; I335-T575 WeakPolarHBondContact CG2-O 3.49Å; G336-T575 VanDerWaalsContact CA-CG2 3.49Å; W571-T575 HydrophobicContact CD2-CG2 4.13Å; W571-T575 HydrophobicContact CG-CG2 4.33Å; W571-T575 HydrophobicContact CZ2-CG2 4.05Å; W571-T575 WeakPolarHBondContact O-CB 3.39Å; W571-T575 WeakPolarHBondContact O-CG2 3.42Å; W571-T575 PolarHBondContact O-N 3.07Å; W571-T575 PolarHBondContact O-OG1 2.95Å; T575-Y577 VanDerWaalsContact C-N 3.31Å
576	G	94.8	Very high	90.8	Very high	68 Å²	68	45.8 Å²	45.8	70%	0.701	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	12.6	-172.5	0	0	0	0	0	114.1	C572	C572-G576 CarbonylContact O-C 3.59Å; C572-G576 WeakPolarHBondContact O-CA 3.42Å; C572-G576 PolarHBondContact O-N 3.18Å
577	Y	96.4	Very high	87.8	Confident	19 Å²	19	52.5 Å²	52.5	8%	0.075	31%	0.305	C	S	.	.			trans	-76.8	146	176.6	-150.6	-82.7	0	0	0	111.5	I335 R338 W352 R529 V531 W571 C572 T575 L579	I335-Y577 HydrophobicContact CB-CD2 3.93Å; I335-Y577 HydrophobicContact CB-CE2 4.34Å; I335-Y577 HydrophobicContact CD1-CD2 4.11Å; I335-Y577 HydrophobicContact CD1-CE2 4.15Å; I335-Y577 HydrophobicContact CG2-CD2 3.78Å; R338-Y577 HydrophobicContact CB-CE2 4.43Å; W352-Y577 HydrophobicContact CE3-CE2 4.22Å; W352-Y577 HydrophobicContact CH2-CE2 4.2Å; W352-Y577 AromaticContact CZ3-CE2 3.66Å; W352-Y577 HydrophobicContact CZ3-CE2 3.66Å; W352-Y577 WeakPolarHBondContact CZ3-OH 3.4Å; R529-Y577 WeakPolarHBondContact O-CE1 3.25Å; R529-Y577 PolarHBondContact O-OH 3.34Å; V531-Y577 HydrophobicContact CB-CD1 4.14Å; V531-Y577 HydrophobicContact CB-CE1 4.26Å; V531-Y577 HydrophobicContact CG2-CD1 3.81Å; V531-Y577 HydrophobicContact CG2-CE1 3.67Å; W571-Y577 AromaticContact CH2-CD2 3.98Å; W571-Y577 HydrophobicContact CH2-CD2 3.98Å; W571-Y577 AromaticContact CH2-CG 3.93Å; W571-Y577 HydrophobicContact CH2-CG 3.93Å; W571-Y577 HydrophobicContact CZ3-CD1 4.22Å; W571-Y577 HydrophobicContact CZ3-CD2 4.3Å; W571-Y577 AromaticContact CZ3-CG 3.78Å; W571-Y577 HydrophobicContact CZ3-CG 3.78Å; C572-Y577 VanDerWaalsContact CB-O 3.25Å; C572-Y577 WeakPolarHBondContact CB-O 3.35Å; C572-Y577 PolarHBondContact O-N 3.07Å; C572-Y577 VanDerWaalsContact O-N 3.08Å; T575-Y577 VanDerWaalsContact C-N 3.31Å; Y577-L579 PolarHBondContact O-N 2.76Å
578	Q	96.1	Very high	84.9	Confident	137 Å²	137	64.2 Å²	64.2	64%	0.64	35%	0.349	S	S	*	.			trans	-81	107	-179.1	-178.3	61.2	65.3	0	0	112	Q580	Q578-Q580 PolarHBondContact O-NE2 2.78Å
579	L	97.3	Very high	81.8	Confident	21 Å²	21	71.4 Å²	71.4	11%	0.11	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	135.5	169.5	-175.1	59.4	0	0	0	111.1	F165 W167 E521 V531 V533 C572 Y577	F165-L579 HydrophobicContact CD1-CD2 3.78Å; F165-L579 HydrophobicContact CE1-CD2 3.98Å; W167-L579 VanDerWaalsContact NE1-CD2 3.31Å; E521-L579 HydrophobicContact CB-CD1 4.42Å; E521-L579 HydrophobicContact CG-CD1 3.88Å; E521-L579 HydrophobicContact CG-CD2 4.49Å; V531-L579 HydrophobicContact CG1-CD1 4.39Å; V531-L579 CarbonylContact O-C 3.57Å; V531-L579 WeakPolarHBondContact O-CA 3.41Å; V533-L579 HydrophobicContact CG2-CD1 4.02Å; V533-L579 HydrophobicContact CG2-CD2 3.93Å; V533-L579 HydrophobicContact CG2-CG 4.06Å; C572-L579 HydrophobicContact CB-CB 3.79Å; Y577-L579 PolarHBondContact O-N 2.76Å
580	Q	97.2	Very high	78.5	Confident	62 Å²	62	77.3 Å²	77.3	29%	0.29	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	133	168.3	-54.7	-50.7	-56.7	0	0	110.3	L530 V531 C532 V533 Q578	L530-Q580 HydrophobicContact CB-CG 4.19Å; L530-Q580 HydrophobicContact CD2-CG 4.12Å; V531-Q580 PolarHBondContact O-N 2.86Å; C532-Q580 HydrophobicContact CB-CB 4.44Å; V533-Q580 PolarHBondContact N-O 3.45Å; Q578-Q580 PolarHBondContact O-NE2 2.78Å
581	P	95.7	Very high	75.5	Confident	74 Å²	74	82.9 Å²	82.9	48%	0.481	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-68.2	162.4	176	31.6	-37	0	0	0	111.7	F165	F165-P581 HydrophobicContact CB-CB 4Å; F165-P581 HydrophobicContact CD2-CB 4.46Å; F165-P581 HydrophobicContact CG-CB 4.43Å
582	P	94.6	Very high	72.5	Confident	32 Å²	32	90.5 Å²	90.5	21%	0.208	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-54	143.4	163.9	-23.7	34.9	0	0	0	111.1	F165 Y170 V533 D549 S584	F165-P582 VanDerWaalsContact CD2-CD 3.48Å; F165-P582 HydrophobicContact CD2-CG 4.31Å; F165-P582 VanDerWaalsContact CE2-CD 3.45Å; F165-P582 HydrophobicContact CE2-CG 3.81Å; F165-P582 HydrophobicContact CZ-CG 4.46Å; Y170-P582 HydrophobicContact CE2-CG 4.26Å; V533-P582 HydrophobicContact CB-CG 3.97Å; V533-P582 HydrophobicContact CG1-CG 3.76Å; V533-P582 HydrophobicContact CG2-CG 4.39Å; D549-P582 HydrophobicContact CB-CB 3.94Å; D549-P582 HydrophobicContact CB-CG 4.13Å; D549-P582 CarbonylContact O-C 3.54Å; D549-P582 WeakPolarHBondContact O-CA 3.38Å; D549-P582 WeakPolarHBondContact O-CB 3.13Å; P582-S584 PolarHBondContact O-N 2.65Å
583	A	90.3	Very high	69.7	Low	29 Å²	29	95.4 Å²	95.4	24%	0.24	53%	0.534	C	S	.	.	P	Polyproline II helix	trans	-66.5	125.8	178.9	0	0	0	0	0	110.7	D549 W551 Q585	D549-A583 PolarHBondContact O-N 3.16Å; W551-A583 HydrophobicContact CD2-CB 4.06Å; W551-A583 HydrophobicContact CG-CB 4.23Å; W551-A583 HydrophobicContact CZ2-CB 4.25Å; A583-Q585 PolarHBondContact O-N 3.37Å
584	S	78	Confident	66.6	Low	97 Å²	97	96.8 Å²	96.8	68%	0.678	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-66.9	123.4	178.6	68	0	0	0	0	110.3	P582 S586	P582-S584 PolarHBondContact O-N 2.65Å; S584-S586 PolarHBondContact O-N 2.76Å; S584-S586 PolarHBondContact OG-OG 2.68Å
585	Q	50.5	Low	63.6	Low	178 Å²	178	101.2 Å²	101.2	83%	0.832	58%	0.579	S	S	*	*			trans	-73.7	49.9	174.5	-64.3	-172.3	-1	0	0	112.7	A583	A583-Q585 PolarHBondContact O-N 3.37Å
586	S	39.8	Very low	60.5	Low	80 Å²	80	110 Å²	110	56%	0.559	62%	0.616	S	S	*	*			trans	-78.8	126.5	174.8	57.5	0	0	0	0	110.3	S584	S584-S586 PolarHBondContact O-N 2.76Å; S584-S586 PolarHBondContact OG-OG 2.68Å
587	N	36.2	Very low	57.5	Low	146 Å²	146	115.9 Å²	115.9	78%	0.781	63%	0.625	S	S	*	*			trans	80.9	62.2	-179.5	-45.2	-85.9	0	0	0	117.2
588	R	39.1	Very low	54.3	Low	245 Å²	245	124.4 Å²	124.4	93%	0.925	66%	0.663	S	S	*	*	S	Bend	trans	-108.3	-22.6	142.1	-87.5	-162.2	178	-164.9	5.3	114.9	T590	R588-T590 PolarHBondContact O-N 3.45Å
589	D	33	Very low	51.1	Low	151 Å²	151	127.9 Å²	127.9	81%	0.807	68%	0.676	S	S	*	*	S	Bend	trans	-75.9	114.6	163.3	-71.7	-56	0	0	0	110.7	P591	D589-P591 WeakPolarHBondContact O-CD 3.39Å
590	T	30	Very low	47.8	Very low	125 Å²	125	136.8 Å²	136.8	77%	0.767	71%	0.714	S	S	*	*			trans	-85.9	114.8	170.3	-63.6	0	0	0	0	108.4	R588 L592	R588-T590 PolarHBondContact O-N 3.45Å; T590-L592 PolarHBondContact O-N 3.24Å
591	P	33	Very low	44.6	Very low	116 Å²	116	140 Å²	140	75%	0.753	74%	0.737	S	S	*	*			trans	-63.3	120.7	-178	-22.1	34.4	0	0	0	111.2	D589 S593	D589-P591 WeakPolarHBondContact O-CD 3.39Å; P591-S593 PolarHBondContact O-N 3.45Å
592	L	35.4	Very low	41.5	Very low	162 Å²	162	142.7 Å²	142.7	85%	0.848	76%	0.755	S	S	*	*			trans	-65.4	108.1	177.4	-80.3	166.9	0	0	0	110.9	T590	T590-L592 PolarHBondContact O-N 3.24Å
593	S	38.8	Very low	38.3	Very low	108 Å²	108	149.8 Å²	149.8	76%	0.755	79%	0.785	S	S	*	*			trans	42.3	91.9	154.2	59.3	0	0	0	0	117.9	P591	P591-S593 PolarHBondContact O-N 3.45Å
594	V	30.8	Very low	35.2	Very low	136 Å²	136	159.2 Å²	159.2	82%	0.824	82%	0.817	S	S	*	*			trans	-109.2	130.1	157.7	-174.4	0	0	0	0	108.8
595	P	33.2	Very low	32.7	Very low	119 Å²	119	163.7 Å²	163.7	77%	0.773	82%	0.824	S	S	*	*			trans	-75.2	138.6	-165.5	27.7	-35.3	0	0	0	114.2	Q597	P595-Q597 PolarHBondContact O-N 3.41Å; P595-Q597 VanDerWaalsContact O-N 3.13Å
596	K	31.5	Very low	31.5	Very low	205 Å²	205	158.8 Å²	158.8	89%	0.891	82%	0.821	S	S	*	*			trans	-65.4	107.9	178.6	-67.2	-179	178.1	179.6	0	112.1
597	Q	29.9	Very low	31.1	Very low	191 Å²	191	163.6 Å²	163.6	89%	0.893	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-65.4	131.4	162.7	-68.7	-170.2	-2.8	0	0	110.2	P595	P595-Q597 PolarHBondContact O-N 3.41Å; P595-Q597 VanDerWaalsContact O-N 3.13Å
598	K	29.8	Very low	30.6	Very low	199 Å²	199	165.5 Å²	165.5	87%	0.865	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-82.6	123.8	178.6	-68.6	178.7	177.1	177.3	0	110.5
599	K	29.9	Very low	30.1	Very low	210 Å²	210	164 Å²	164	91%	0.913	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-61.8	137.7	161.1	-75.7	-172.9	174.6	-177.4	0	109.2
600	K	26.8	Very low	29.9	Very low	208 Å²	208	166.3 Å²	166.3	90%	0.904	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-84	134.9	179.6	-63.1	176.6	-178.6	174.5	0	110.3
601	T	31	Very low	29.7	Very low	128 Å²	128	170.7 Å²	170.7	79%	0.785	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-92	154	158.2	36.3	0	0	0	0	110.2
602	P	30.1	Very low	29.4	Very low	132 Å²	132	173.6 Å²	173.6	86%	0.857	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-71	157.2	-178.1	29.6	-35.4	0	0	0	112.5
603	Q	26.7	Very low	29.3	Very low	180 Å²	180	173 Å²	173	84%	0.841	84%	0.838	S	S	*	*			trans	-116	120.2	-170.7	-174.7	-178.5	41.6	0	0	111.2
604	Y	24.8	Very low	29	Very low	228 Å²	228	173.5 Å²	173.5	89%	0.894	84%	0.839	S	S	*	*			trans	-106.9	153.3	164.6	-153.9	-94.6	0	0	0	110.5
605	K	27.2	Very low	28.8	Very low	191 Å²	191	173.5 Å²	173.5	83%	0.83	84%	0.839	S	S	*	*			trans	-100	132.1	-161.8	-63	176.6	-177.9	171	0	112.8
606	G	25.7	Very low	28.5	Very low	75 Å²	75	171.1 Å²	171.1	77%	0.773	84%	0.836	S	S	*	*			trans	-131.8	151.8	166.7	0	0	0	0	0	110.6
607	Q	29.7	Very low	28.4	Very low	181 Å²	181	172.7 Å²	172.7	85%	0.846	84%	0.836	S	S	*	*			trans	-100.9	140.7	-160.7	-60.9	-168.7	12.7	0	0	116.6
608	K	27.4	Very low	28.4	Very low	185 Å²	185	175.4 Å²	175.4	80%	0.804	84%	0.839	S	S	*	*			trans	23.6	122.3	142.9	-60.2	173.3	178.9	172.5	0	119.3
609	K	28.2	Very low	28.4	Very low	215 Å²	215	169.3 Å²	169.3	94%	0.935	83%	0.826	S	S	*	*				-168	170.4	106.5	-102.1	162.6	-175.6	175.5	0	112.5
610	K	28.1	Very low	28.2	Very low	198 Å²	198	169.1 Å²	169.1	86%	0.861	83%	0.825	S	S	*	*			trans	-107.6	174.1	-169.2	-67.3	-179.1	174.8	180	0	112.8
611	R	26.9	Very low	28.2	Very low	218 Å²	218	164 Å²	164	82%	0.823	82%	0.816	S	S	*	*			trans	99.2	147.7	161.6	-58.7	167.4	64	148.2	-2.5	114.3
612	K	25.5	Very low	28.3	Very low	176 Å²	176	166.5 Å²	166.5	77%	0.765	82%	0.818	S	S	*	*			cis	-158.7	164.9	-17	-116.1	-174	179.4	-168.4	0	108.7
613	I	34.4	Very low	28.2	Very low	150 Å²	150	165.6 Å²	165.6	77%	0.769	82%	0.815	S	S	*	*			trans	-92.3	143.8	171.7	-49.7	167.3	0	0	0	109.9	V615	I613-V615 HydrophobicContact CG2-CG2 4.21Å
614	P	30.7	Very low	28.2	Very low	118 Å²	118	160.1 Å²	160.1	77%	0.766	81%	0.807	S	S	*	*				-127.1	141.4	127.1	30.3	-17.8	0	0	0	110.9
615	V	27.3	Very low	28.4	Very low	136 Å²	136	159.4 Å²	159.4	82%	0.824	80%	0.803	S	S	*	*			cis	98.9	117.1	28.7	172.1	0	0	0	0	113.8	I613	I613-V615 HydrophobicContact CG2-CG2 4.21Å
616	G	27.9	Very low	28.4	Very low	70 Å²	70	160 Å²	160	72%	0.722	80%	0.8	S	S	*	*			trans	104.8	143.2	163.5	0	0	0	0	0	115.1
617	R	28.4	Very low	28.5	Very low	237 Å²	237	167.9 Å²	167.9	89%	0.894	81%	0.806	S	S	*	*			cis	-144.3	144	-13.4	-67.7	-174.7	176.8	-170.5	-0.8	106.3
618	R	30.2	Very low	28.3	Very low	248 Å²	248	164 Å²	164	94%	0.936	80%	0.8	S	S	*	*				45.2	137.1	77.3	-79.1	-166.3	-172.9	-175.3	4.2	114
619	A	28.6	Very low	28.5	Very low	72 Å²	72	159.8 Å²	159.8	60%	0.595	79%	0.793	S	S	*	*			cis	-148.5	-173	-3	0	0	0	0	0	107.7
620	F	27.1	Very low	28.3	Very low	206 Å²	206	159.3 Å²	159.3	90%	0.904	79%	0.791	S	S	*	*			cis	-146.9	-168	21.8	-91.9	-77.9	0	0	0	108.9
621	S	27.3	Very low	28.3	Very low	101 Å²	101	155.1 Å²	155.1	71%	0.706	79%	0.787	S	S	*	*			cis	-142.2	173.7	1.6	40.6	0	0	0	0	112.4
622	Q	31.6	Very low	28.3	Very low	179 Å²	179	147.6 Å²	147.6	84%	0.836	78%	0.777	S	S	*	*			trans	-28.9	159.4	159.9	-75.9	156.4	-22.9	0	0	118
623	S	28.2	Very low	28.5	Very low	114 Å²	114	146.7 Å²	146.7	80%	0.797	78%	0.781	S	S	*	*			cis	-172.9	161.6	-2	44	0	0	0	0	113.7
624	G	27.4	Very low	28.2	Very low	65 Å²	65	148.3 Å²	148.3	67%	0.67	79%	0.785	S	S	*	*			trans	82.5	123.1	152.4	0	0	0	0	0	115.7
625	R	28.8	Very low	28.1	Very low	212 Å²	212	149.9 Å²	149.9	80%	0.8	78%	0.782	S	S	*	*				63.1	131.5	56.2	-67	-167.1	170.6	-168.1	1.6	113
626	R	27.4	Very low	28.1	Very low	204 Å²	204	151.2 Å²	151.2	77%	0.77	78%	0.78	S	S	*	*			cis	-161.2	172	0.4	-127.3	176.3	-175.4	-173.8	-1.8	112.3
627	R	28	Very low	28	Very low	240 Å²	240	153.4 Å²	153.4	91%	0.906	78%	0.784	S	S	*	*			trans	-53.4	142.9	172.2	-55.2	166.5	173.2	171.4	-7.6	114.5
628	S	25	Very low	28.7	Very low	101 Å²	101	147.9 Å²	147.9	71%	0.706	78%	0.778	S	S	*	*				-157	162.5	111	80.1	0	0	0	0	106.7
629	S	31	Very low	29.2	Very low	95 Å²	95	140.8 Å²	140.8	66%	0.664	76%	0.764	S	S	*	*			cis	67.7	94.3	17.2	77.3	0	0	0	0	116.4
630	F	25.5	Very low	29.5	Very low	206 Å²	206	145 Å²	145	90%	0.904	78%	0.775	S	S	*	*			trans	-165.2	-178.5	137.4	-103.3	-61.8	0	0	0	111
631	S	28.3	Very low	29.6	Very low	109 Å²	109	144.5 Å²	144.5	76%	0.762	77%	0.769	S	S	*	*			trans	-141.9	159.5	-163.2	52.1	0	0	0	0	111.9
632	G	26.5	Very low	29.8	Very low	61 Å²	61	145.3 Å²	145.3	63%	0.629	77%	0.773	S	S	*	*			trans	87.6	159	174.7	0	0	0	0	0	114.4
633	D	28.7	Very low	29.7	Very low	157 Å²	157	143.4 Å²	143.4	84%	0.84	77%	0.767	S	S	*	*			cis	-164.3	163.1	-13.2	-103	-44.4	0	0	0	109.8
634	E	28.9	Very low	29.6	Very low	184 Å²	184	146.5 Å²	146.5	86%	0.86	77%	0.769	S	S	*	*			trans	62.1	154.3	174.4	-54.9	-174.4	102.5	0	0	115.4
635	E	28	Very low	29.6	Very low	150 Å²	150	146.4 Å²	146.4	70%	0.701	77%	0.769	S	S	*	*			cis	-149.1	165.2	29.1	-89.8	-161.7	100.6	0	0	113.9
636	Q	26.9	Very low	30.6	Very low	165 Å²	165	142.8 Å²	142.8	77%	0.771	77%	0.773	S	S	*	*			trans	49.8	122	147.1	-64.4	179.6	43.9	0	0	122.6
637	S	27.1	Very low	30.5	Very low	116 Å²	116	137.8 Å²	137.8	81%	0.811	77%	0.774	S	S	*	*			trans	-103.3	170.5	142.9	-58.7	0	0	0	0	108.2
638	P	41.9	Very low	30.5	Very low	120 Å²	120	137.7 Å²	137.7	78%	0.779	77%	0.774	S	S	*	*			cis	-126.2	-146.4	6.7	42.3	-21.6	0	0	0	109.5
639	P	40.5	Very low	31.4	Very low	99 Å²	99	137.7 Å²	137.7	64%	0.643	77%	0.772	S	S	*	*			cis	-133.6	174.4	-8.2	41.9	-24.6	0	0	0	117	Y641	P639-Y641 HydrophobicContact CG-CD2 4.26Å
640	I	35.8	Very low	31.3	Very low	160 Å²	160	144.7 Å²	144.7	82%	0.821	78%	0.784	S	S	*	*			trans	-82.9	139.1	158.8	-62.9	168.1	0	0	0	108.7
641	Y	28.6	Very low	31.3	Very low	197 Å²	197	138.4 Å²	138.4	77%	0.773	77%	0.77	S	S	*	*			trans	-141.2	144.9	160.1	-106.3	-78.1	0	0	0	113.1	P639 I643	P639-Y641 HydrophobicContact CG-CD2 4.26Å; Y641-I643 HydrophobicContact CD1-CG1 4.45Å
642	C	31	Very low	31.3	Very low	118 Å²	118	141.4 Å²	141.4	80%	0.797	77%	0.771	S	S	*	*			trans	-141	132	176.3	175.4	0	0	0	0	108.6
643	I	30.6	Very low	31.3	Very low	138 Å²	138	146.3 Å²	146.3	71%	0.708	78%	0.782	S	S	*	*			trans	-158.6	148.7	-179.8	1.2	174	0	0	0	106.4	Y641	Y641-I643 HydrophobicContact CD1-CG1 4.45Å
644	Q	26.8	Very low	31.3	Very low	179 Å²	179	147.4 Å²	147.4	84%	0.836	78%	0.782	S	S	*	*			cis	-143.3	156.6	22.3	-62.7	-179.8	-22.9	0	0	114
645	G	26.8	Very low	31.7	Very low	64 Å²	64	143.8 Å²	143.8	66%	0.66	78%	0.775	S	S	*	*			trans	-110.2	177.7	146.1	0	0	0	0	0	109.5
646	P	50.4	Low	31.7	Very low	136 Å²	136	143.7 Å²	143.7	88%	0.883	78%	0.778	S	S	*	*				-145.6	-175.4	98.4	38.1	-19.5	0	0	0	112.2
647	A	24.4	Very low	31.8	Very low	98 Å²	98	144.4 Å²	144.4	81%	0.81	78%	0.781	S	S	*	*			cis	-148.9	-171.8	20.7	0	0	0	0	0	115.3
648	R	27	Very low	31.7	Very low	238 Å²	238	148 Å²	148	90%	0.898	78%	0.782	S	S	*	*			trans	-128.8	-173.8	-173.5	-114	-177.8	177.6	-176.2	0.8	108.5
649	P	44.9	Very low	30.9	Very low	101 Å²	101	146.1 Å²	146.1	66%	0.656	77%	0.771	S	S	*	*			cis	-148.4	162.3	21.3	41.6	-20.8	0	0	0	120.5
650	R	28.8	Very low	30.2	Very low	242 Å²	242	150.1 Å²	150.1	91%	0.913	78%	0.781	S	S	*	*			trans	65.8	162.1	145.4	-74.1	172.9	173.5	172.7	-2.8	117.9
651	A	26.2	Very low	29.8	Very low	75 Å²	75	147 Å²	147	62%	0.62	77%	0.774	S	S	*	*			cis	-156.4	161.5	5.9	0	0	0	0	0	115.4
652	H	27.5	Very low	29.7	Very low	171 Å²	171	144.3 Å²	144.3	79%	0.792	77%	0.772	S	S	*	*			trans	60.1	131.2	143.8	-71.8	-65.1	0	0	0	126.3
653	L	26.4	Very low	29.6	Very low	164 Å²	164	146.3 Å²	146.3	86%	0.859	77%	0.774	S	S	*	*			trans	82.1	142.5	137.2	-69.6	165.3	0	0	0	123.4
654	H	28.4	Very low	29.5	Very low	180 Å²	180	149.2 Å²	149.2	83%	0.833	78%	0.776	S	S	*	*			trans	-76.6	169.3	164.3	-78.7	-74.4	0	0	0	110.8
655	P	38	Very low	29.6	Very low	109 Å²	109	147.7 Å²	147.7	71%	0.708	77%	0.771	S	S	*	*			cis	-158.6	173.6	39.8	47.2	-25.2	0	0	0	121.4
656	I	27.8	Very low	29.6	Very low	148 Å²	148	152.2 Å²	152.2	76%	0.759	77%	0.772	S	S	*	*			trans	42	117.3	134.8	-64	171.9	0	0	0	122.9
657	H	28.3	Very low	28.5	Very low	180 Å²	180	152.6 Å²	152.6	83%	0.833	76%	0.762	S	S	*	*			trans	68.1	159.7	144.3	-91.7	-110.7	0	0	0	124.6
658	K	25.1	Very low	28.7	Very low	192 Å²	192	154.8 Å²	154.8	84%	0.835	76%	0.76	S	S	*	*			trans	79	157	169.6	-69.5	-166.5	178.1	-170	0	117.8
659	S	26.1	Very low	29.6	Very low	80 Å²	80	148.9 Å²	148.9	56%	0.559	75%	0.753	S	S	*	*			cis	179.2	169.5	-46.9	49.3	0	0	0	0	109.4
660	E	26.1	Very low	29.1	Very low	182 Å²	182	147.6 Å²	147.6	85%	0.85	75%	0.751	S	S	*	*			trans	71.2	174.2	167	-56.7	175.4	142.5	0	0	117.6
661	S	26.7	Very low	29.3	Very low	96 Å²	96	143.9 Å²	143.9	67%	0.671	75%	0.749	S	S	*	*				-166.9	171.9	-75.3	61.6	0	0	0	0	113.4
662	L	27.1	Very low	29.4	Very low	140 Å²	140	143.5 Å²	143.5	73%	0.733	75%	0.753	S	S	*	*			trans	81.1	171.9	150	-101.9	160	0	0	0	121.8	R664	L662-R664 HydrophobicContact CD2-CB 4.37Å
663	L	28.2	Very low	29.5	Very low	160 Å²	160	143.5 Å²	143.5	84%	0.838	76%	0.758	S	S	*	*			trans	79.5	109.6	-168.7	-52.3	176.9	0	0	0	114.3
664	R	28.6	Very low	29.8	Very low	198 Å²	198	142.4 Å²	142.4	75%	0.747	75%	0.749	S	S	*	*			cis	68.8	140.2	15.1	-118.2	-164.3	175.4	-169.1	-1.3	114.6	L662	L662-R664 HydrophobicContact CD2-CB 4.37Å
665	M	28.3	Very low	29.9	Very low	148 Å²	148	142.6 Å²	142.6	73%	0.729	75%	0.748	S	S	*	*			cis	-116	-159.3	-3.3	-54	-175.5	177.3	0	0	109.9
666	K	27.6	Very low	29.5	Very low	158 Å²	158	142.4 Å²	142.4	69%	0.687	75%	0.745	S	S	*	*			cis	-144.3	-152.7	-0.6	-140.6	-172.5	144.5	-162.4	0	106.8
667	E	26.4	Very low	29.7	Very low	144 Å²	144	144.6 Å²	144.6	67%	0.673	75%	0.749	S	S	*	*			cis	-152.6	167.8	8.3	-161.3	117	-159.9	0	0	110.1
668	D	28.9	Very low	29.8	Very low	145 Å²	145	142.5 Å²	142.5	78%	0.775	75%	0.749	S	S	*	*			trans	-158.8	159.7	-175.1	-110.4	-37.3	0	0	0	108.2
669	P	47.5	Very low	30.2	Very low	113 Å²	113	142 Å²	142	73%	0.734	75%	0.75	S	S	*	*				-156.8	175.6	58.7	44.1	-23.8	0	0	0	119.6
670	A	33.5	Very low	30.2	Very low	75 Å²	75	141.6 Å²	141.6	62%	0.62	76%	0.758	S	S	*	*			trans	55.4	139.9	142.5	0	0	0	0	0	121.2
671	D	32.5	Very low	30.5	Very low	163 Å²	163	139 Å²	139	87%	0.872	76%	0.755	S	S	*	*			cis	-165.7	171.2	-9	-96.5	-32	0	0	0	106.9
672	G	28.9	Very low	30.7	Very low	68 Å²	68	139.6 Å²	139.6	70%	0.701	76%	0.759	S	S	*	*			cis	139.6	111.9	0.3	0	0	0	0	0	110.8
673	D	30.1	Very low	30.9	Very low	170 Å²	170	139.5 Å²	139.5	91%	0.909	76%	0.759	S	S	*	*			trans	-152.1	161.4	177.8	-140.1	-19	0	0	0	112
674	E	32.7	Very low	31.1	Very low	142 Å²	142	140.6 Å²	140.6	66%	0.664	76%	0.76	S	S	*	*			trans	-117.2	-158.4	-152.4	-143.8	-157.4	114.8	0	0	116.8	T676	E674-T676 PolarHBondContact OE1-OG1 3.11Å
675	F	29.4	Very low	31.2	Very low	184 Å²	184	139.9 Å²	139.9	81%	0.807	77%	0.765	S	S	*	*			trans	81.3	106.2	179.8	-63.6	-85.3	0	0	0	117
676	T	30.7	Very low	31.4	Very low	105 Å²	105	137 Å²	137	64%	0.644	76%	0.759	S	S	*	*			cis	110.1	136	18.3	-57.5	0	0	0	0	112.9	E674	E674-T676 PolarHBondContact OE1-OG1 3.11Å
677	F	31.9	Very low	31.7	Very low	193 Å²	193	137 Å²	137	85%	0.846	77%	0.767	S	S	*	*			trans	-111.8	130.5	-165	-175.7	-77.1	0	0	0	110.9
678	T	30.4	Very low	31.8	Very low	136 Å²	136	133.8 Å²	133.8	83%	0.834	77%	0.772	S	S	*	*			trans	-140.5	156.5	175	48.3	0	0	0	0	113.6
679	Q	32.9	Very low	32	Very low	183 Å²	183	133.1 Å²	133.1	86%	0.855	78%	0.779	S	S	*	*			trans	-120.3	146.8	-176	-179.4	179.9	2.3	0	0	108.6
680	G	26.9	Very low	31.1	Very low	70 Å²	70	131 Å²	131	72%	0.722	78%	0.777	S	S	*	*			trans	-151.8	161.6	-178	0	0	0	0	0	113.4
681	T	31	Very low	30.9	Very low	129 Å²	129	132.7 Å²	132.7	79%	0.791	79%	0.785	S	S	*	*			trans	-144.1	141.1	-165.3	51.6	0	0	0	0	113.8
682	S	31.6	Very low	31	Very low	108 Å²	108	135.5 Å²	135.5	76%	0.755	79%	0.785	S	S	*	*			trans	57.5	159.8	168.6	78.9	0	0	0	0	116.2
683	D	31.2	Very low	31.1	Very low	138 Å²	138	142.6 Å²	142.6	74%	0.738	79%	0.792	S	S	*	*			cis	-127.8	151.9	21.7	-64.2	-40.6	0	0	0	110.8
684	Q	31.9	Very low	31.5	Very low	183 Å²	183	142 Å²	142	86%	0.855	79%	0.788	S	S	*	*				88.6	157.2	65.3	-138	-175.4	76.5	0	0	114.8
685	E	31.2	Very low	31.7	Very low	183 Å²	183	144.3 Å²	144.3	86%	0.855	80%	0.795	S	S	*	*			trans	71.7	144.6	-169	-59.5	-158.4	148.7	0	0	117.3
686	S	32.9	Very low	32.3	Very low	86 Å²	86	143 Å²	143	60%	0.601	79%	0.792	S	S	*	*			cis	-160.5	175.6	-21.1	58.6	0	0	0	0	111.4
687	N	33.2	Very low	32.7	Very low	158 Å²	158	145.5 Å²	145.5	85%	0.845	80%	0.796	S	S	*	*			trans	72.4	129.9	-172.4	-50.1	-52.7	0	0	0	114.9
688	G	28.8	Very low	33.9	Very low	77 Å²	77	145.5 Å²	145.5	79%	0.794	82%	0.815	S	S	*	*			cis	96.7	128	9.4	0	0	0	0	0	111.6
689	S	32.9	Very low	34.1	Very low	131 Å²	131	146 Å²	146	92%	0.916	81%	0.814	S	S	*	*			cis	-149.8	176.8	-0.7	61.1	0	0	0	0	108
690	G	28.8	Very low	34.1	Very low	68 Å²	68	144 Å²	144	70%	0.701	81%	0.812	S	S	*	*			cis	-179.2	160.5	0.4	0	0	0	0	0	108.5
691	S	29.9	Very low	34.5	Very low	112 Å²	112	148.1 Å²	148.1	78%	0.783	82%	0.817	S	S	*	*			trans	-106.8	132.6	-175.4	-177.4	0	0	0	0	112.5
692	Y	33.8	Very low	34.7	Very low	222 Å²	222	149.2 Å²	149.2	87%	0.871	82%	0.819	S	S	*	*			trans	-106.5	112.7	171.8	-85.2	-80.3	0	0	0	111.4
693	Y	30.1	Very low	34.9	Very low	216 Å²	216	151.8 Å²	151.8	85%	0.847	82%	0.823	S	S	*	*			trans	-74.1	138.5	158.3	-95.5	-91.7	0	0	0	109.9
694	I	40.2	Very low	35.2	Very low	159 Å²	159	152.7 Å²	152.7	82%	0.815	83%	0.828	S	S	*	*			trans	-120.6	140.2	160.2	-68.9	179.7	0	0	0	107.8
695	K	36.7	Very low	35.4	Very low	189 Å²	189	150.6 Å²	150.6	82%	0.822	83%	0.826	S	S	*	*			trans	-97.5	160.9	173.8	-78.7	-175.7	173.6	-178	0	111
696	Q	41.1	Very low	35.8	Very low	158 Å²	158	148.1 Å²	148.1	74%	0.738	82%	0.824	S	S	*	*			trans	-34.7	154.6	154.4	-58.5	174.6	-80.2	0	0	113.3
697	E	38.6	Very low	36	Very low	156 Å²	156	153.3 Å²	153.3	73%	0.729	84%	0.843	S	S	*	*			cis	-169.3	177.9	-4	-109.8	162.3	-144.2	0	0	105.6
698	P	57.8	Low	36.2	Very low	193 Å²	193	152.8 Å²	152.8	100%	1.253	84%	0.843	S	S	*	*			cis	-115.1	0	7	42.3	-30.6	0	0	0	115.5

Retrieved 698 of 698 residues in 861.3 ms (Link to these results)

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