A0A087YAK8_POEFO Loading...

Fibrinogen C domain containing 1b

AlphaFold DB , UniProt , Accession A0A087YAK8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 491 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	31.4	Very low	29.8	Very low	241 Å²	241	160.8 Å²	160.8	100%	1.187	83%	0.833	S	S	*	*				0	129.1	0	-96	177.1	168.4	0	0	107.8
2	V	30.1	Very low	29.7	Very low	135 Å²	135	155.8 Å²	155.8	82%	0.818	82%	0.822	S	S	*	*			trans	75	92.2	172.9	-165	0	0	0	0	114.4
3	N	29.1	Very low	29.6	Very low	146 Å²	146	151.9 Å²	151.9	78%	0.781	82%	0.815	S	S	*	*				73.1	145.5	87	-105.6	20.5	0	0	0	113.1
4	D	36.5	Very low	29.7	Very low	103 Å²	103	153.9 Å²	153.9	55%	0.551	82%	0.817	S	S	*	*			cis	178.2	156.9	-23.8	-145.4	9.6	0	0	0	105
5	R	32.8	Very low	29.5	Very low	195 Å²	195	153.9 Å²	153.9	74%	0.736	82%	0.816	S	S	*	*			trans	69.6	119.2	146.8	-109.6	173	-83.4	-142	-6.2	121.9
6	W	28.6	Very low	29.6	Very low	263 Å²	263	155.4 Å²	155.4	100%	0.996	82%	0.817	S	S	*	*				-151.7	136.9	120.3	-81.6	88.4	0	0	0	105.3
7	G	28.1	Very low	29.5	Very low	67 Å²	67	155.9 Å²	155.9	69%	0.691	82%	0.821	S	S	*	*			cis	152.6	108.8	11.6	0	0	0	0	0	106.3
8	I	28.5	Very low	29.4	Very low	160 Å²	160	150.2 Å²	150.2	82%	0.821	81%	0.806	S	S	*	*			trans	-75.1	143	176.7	-65.9	170.6	0	0	0	109.3
9	M	26.9	Very low	29.4	Very low	192 Å²	192	150.2 Å²	150.2	95%	0.946	81%	0.811	S	S	*	*			trans	-124.6	116.7	157.9	-112.2	177.2	169.8	0	0	109.9
10	N	28	Very low	29.4	Very low	142 Å²	142	153.6 Å²	153.6	76%	0.759	81%	0.812	S	S	*	*			trans	-82.4	152.7	165.9	-106	-6.5	0	0	0	109.6
11	S	28.2	Very low	29.5	Very low	125 Å²	125	153.4 Å²	153.4	87%	0.874	81%	0.806	S	S	*	*			trans	-145.1	126.2	146.5	-176.3	0	0	0	0	109.5
12	S	28.6	Very low	29.5	Very low	100 Å²	100	150.1 Å²	150.1	70%	0.699	79%	0.786	S	S	*	*			trans	-102.7	152.9	179.3	-55	0	0	0	0	111.3
13	S	28.3	Very low	29.3	Very low	106 Å²	106	150.5 Å²	150.5	74%	0.741	78%	0.783	S	S	*	*			trans	-171.3	105.6	145.7	53.7	0	0	0	0	107.2
14	E	30.7	Very low	29.3	Very low	180 Å²	180	151.6 Å²	151.6	84%	0.841	78%	0.783	S	S	*	*				53.5	121.9	96	-75.3	-176	158.1	0	0	112.1
15	L	27.6	Very low	29	Very low	153 Å²	153	152 Å²	152	80%	0.801	79%	0.789	S	S	*	*				-163.1	172	51.6	-101.3	124.6	0	0	0	113.1
16	E	29.6	Very low	28.7	Very low	178 Å²	178	152 Å²	152	83%	0.832	80%	0.795	S	S	*	*			trans	-55	154.9	-169.6	-60.7	169.6	129.8	0	0	120.7
17	D	27.9	Very low	28.6	Very low	165 Å²	165	144.5 Å²	144.5	88%	0.882	78%	0.782	S	S	*	*				148.8	122.5	124.2	-159.9	25	0	0	0	107.7
18	G	27.9	Very low	28.4	Very low	53 Å²	53	150.9 Å²	150.9	55%	0.546	79%	0.794	S	S	.	*			cis	125.6	86.1	22.3	0	0	0	0	0	108.2
19	T	30.8	Very low	28.2	Very low	149 Å²	149	148.8 Å²	148.8	91%	0.914	79%	0.792	S	S	*	*			trans	-172.4	109.4	150.8	12.3	0	0	0	0	114.7
20	R	29.5	Very low	28.5	Very low	219 Å²	219	146.1 Å²	146.1	83%	0.826	79%	0.786	S	S	*	*			trans	-10.6	134.2	146.8	-90.7	170.3	179.2	176	3.7	118.3
21	H	29.9	Very low	28.9	Very low	149 Å²	149	145.3 Å²	145.3	69%	0.69	79%	0.789	S	S	*	*				-176.1	120.1	92.2	-100.4	-61.4	0	0	0	114.6
22	K	31.1	Very low	29	Very low	173 Å²	173	144.9 Å²	144.9	75%	0.752	79%	0.786	S	S	*	*			trans	37.2	117.7	138	-64.6	-177.7	177.9	-178.1	0	119.6
23	N	27.1	Very low	29.1	Very low	142 Å²	142	145.3 Å²	145.3	76%	0.759	79%	0.789	S	S	*	*				55.4	134.2	90.7	-78.4	11	0	0	0	113.1
24	Q	28.4	Very low	29.1	Very low	169 Å²	169	145 Å²	145	79%	0.79	79%	0.787	S	S	*	*			cis	-173.7	157.4	31.7	-141	159.3	-27	0	0	110.3
25	T	29.6	Very low	29	Very low	111 Å²	111	144.7 Å²	144.7	68%	0.681	79%	0.785	S	S	*	*			trans	-60.3	150.1	159.3	33.5	0	0	0	0	113.6
26	F	27.3	Very low	29.1	Very low	195 Å²	195	145.8 Å²	145.8	86%	0.855	79%	0.791	S	S	*	*				165.2	154.2	110.8	-114.6	-91.8	0	0	0	114
27	C	26.8	Very low	29.1	Very low	107 Å²	107	145.5 Å²	145.5	72%	0.723	79%	0.787	S	S	*	*			trans	-61	161	173.9	-53.7	0	0	0	0	115
28	E	24.4	Very low	29.2	Very low	200 Å²	200	145.9 Å²	145.9	94%	0.935	78%	0.783	S	S	*	*				-178.4	157.7	125.7	-105.8	176.9	179.3	0	0	114.5
29	C	24.1	Very low	29.1	Very low	117 Å²	117	153.5 Å²	153.5	79%	0.791	80%	0.796	S	S	*	*			trans	-95.2	146.4	-176.4	-68.7	0	0	0	0	113.8
30	V	32.7	Very low	29	Very low	135 Å²	135	157.2 Å²	157.2	82%	0.818	79%	0.793	S	S	*	*			trans	45.3	131.3	133.8	-173.2	0	0	0	0	119.1
31	P	37	Very low	28.8	Very low	126 Å²	126	152.5 Å²	152.5	82%	0.818	79%	0.793	S	S	*	*				-156.8	179.4	84.2	39.7	-15.6	0	0	0	119.8
32	S	29.5	Very low	29	Very low	115 Å²	115	152.5 Å²	152.5	80%	0.804	80%	0.799	S	S	*	*			trans	-76.4	161.2	-168.2	67.4	0	0	0	0	118.7
33	S	30.1	Very low	28.8	Very low	109 Å²	109	149.3 Å²	149.3	76%	0.762	80%	0.798	S	S	*	*			trans	-173.9	159.9	138	101.6	0	0	0	0	107.7
34	S	29	Very low	29.4	Very low	101 Å²	101	151.7 Å²	151.7	71%	0.706	81%	0.805	S	S	*	*			cis	-175.5	136.5	-8	39.7	0	0	0	0	107.9
35	Q	29.8	Very low	29.5	Very low	172 Å²	172	149.3 Å²	149.3	80%	0.804	80%	0.802	S	S	*	*			trans	11.2	134.6	148.6	-65.1	-77.1	-22.4	0	0	121.6
36	L	28.5	Very low	30.2	Very low	176 Å²	176	149.1 Å²	149.1	92%	0.921	81%	0.811	S	S	*	*			trans	-146.7	139.3	141.3	-107.5	159.8	0	0	0	110.7
37	K	30.7	Very low	30.4	Very low	172 Å²	172	151.2 Å²	151.2	75%	0.748	81%	0.814	S	S	*	*			trans	-107.8	170.6	-163.3	-144.8	176.9	-170.2	176.1	0	110.6
38	H	28.9	Very low	30.9	Very low	174 Å²	174	155.1 Å²	155.1	81%	0.806	82%	0.821	S	S	*	*			trans	106.8	144	166.8	-63.2	-76.1	0	0	0	115.3
39	R	26.6	Very low	31.5	Very low	213 Å²	213	152 Å²	152	80%	0.804	82%	0.816	S	S	*	*			cis	-174.8	121.6	-28.3	-174.4	177.8	-143.6	-155.6	2.8	105.3
40	W	27.6	Very low	32.1	Very low	226 Å²	226	152.4 Å²	152.4	86%	0.856	82%	0.817	S	S	*	*			trans	45.7	124.8	152	-66.2	57.1	0	0	0	121.6
41	S	25.1	Very low	32.7	Very low	120 Å²	120	150.5 Å²	150.5	84%	0.839	82%	0.815	S	S	*	*				-177	137.7	111.6	-160.2	0	0	0	0	111.3
42	D	33.9	Very low	33.1	Very low	150 Å²	150	154.1 Å²	154.1	80%	0.802	82%	0.818	S	S	*	*			trans	-62.5	140	175.2	-67.8	-50.4	0	0	0	113.1
43	S	27.1	Very low	34.1	Very low	105 Å²	105	160.3 Å²	160.3	73%	0.734	82%	0.824	S	S	*	*			trans	-160.8	123.8	142.6	112.4	0	0	0	0	110.4	T45	S43-T45 PolarHBondContact O-N 3.38Å
44	E	41.4	Very low	35	Very low	193 Å²	193	160.8 Å²	160.8	90%	0.902	82%	0.815	S	S	*	*			trans	-62.6	122.2	168	-78.6	164.4	120.5	0	0	109.9
45	T	30.3	Very low	36.5	Very low	118 Å²	118	159.7 Å²	159.7	72%	0.724	81%	0.808	S	S	*	*			trans	-153.3	121.8	147.1	33.3	0	0	0	0	109.6	S43 R47	S43-T45 PolarHBondContact O-N 3.38Å; T45-R47 PolarHBondContact O-N 3.34Å
46	A	44.3	Very low	37.7	Very low	107 Å²	107	156.1 Å²	156.1	88%	0.884	80%	0.801	S	S	*	*			trans	-53	129.1	169.6	0	0	0	0	0	110.6
47	R	31.2	Very low	39.6	Very low	240 Å²	240	151.8 Å²	151.8	91%	0.906	79%	0.785	S	S	*	*			trans	-133.9	119.8	165.5	-99.2	-177.6	-169.5	164.7	6.1	111.3	T45	T45-R47 PolarHBondContact O-N 3.34Å
48	E	37.1	Very low	41.6	Very low	189 Å²	189	150.8 Å²	150.8	88%	0.883	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-52.7	143.2	172.8	-61.8	167.8	144.9	0	0	112.2
49	T	36.8	Very low	43.9	Very low	134 Å²	134	146.6 Å²	146.6	82%	0.822	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-63.5	133.9	168.6	45.2	0	0	0	0	111	A51	T49-A51 PolarHBondContact O-N 3.11Å
50	P	37.2	Very low	46.5	Very low	126 Å²	126	141 Å²	141	82%	0.818	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-77.5	119.8	176.5	30.2	-29.7	0	0	0	110.2	K52	P50-K52 PolarHBondContact O-N 3.34Å
51	A	44.8	Very low	48.9	Very low	94 Å²	94	133.5 Å²	133.5	78%	0.777	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-60.7	122.7	167.2	0	0	0	0	0	109.9	T49 R53	T49-A51 PolarHBondContact O-N 3.11Å; A51-R53 PolarHBondContact O-N 3.29Å
52	K	44.4	Very low	51.5	Low	202 Å²	202	129.9 Å²	129.9	88%	0.878	70%	0.7	S	S	*	*			trans	-62.6	104.3	175.7	-145.6	175.1	-171.6	179.1	0	108.2	P50 M54	P50-K52 PolarHBondContact O-N 3.34Å; K52-M54 PolarHBondContact O-N 2.92Å
53	R	52.1	Low	54.1	Low	246 Å²	246	127 Å²	127	93%	0.928	68%	0.684	S	S	*	*			trans	-63	101	169.7	-78.7	-174.9	178.7	-175.6	-0	108.2	A51 S55	A51-R53 PolarHBondContact O-N 3.29Å; R53-S55 PolarHBondContact O-N 3.44Å
54	M	48.3	Very low	57	Low	118 Å²	118	127.3 Å²	127.3	58%	0.581	68%	0.677	S	S	*	*			trans	-62.2	115.5	167.8	-77.3	163.6	61.9	0	0	107.7	K52 C56 Y58 L59	K52-M54 PolarHBondContact O-N 2.92Å; M54-C56 PolarHBondContact O-N 3.13Å; M54-Y58 HydrophobicContact CE-CD1 4.03Å; M54-Y58 HydrophobicContact CE-CE1 4.39Å; M54-L59 HydrophobicContact CE-CD1 3.87Å
55	S	60	Low	59.2	Low	78 Å²	78	123.2 Å²	123.2	55%	0.545	66%	0.661	S	S	.	*			trans	-54.4	134.1	175	173.8	0	0	0	0	109.3	R53 S57 Y58	R53-S55 PolarHBondContact O-N 3.44Å; S55-S57 PolarHBondContact O-N 2.66Å; S55-S57 PolarHBondContact OG-N 3.22Å; S55-Y58 PolarHBondContact O-N 3.03Å
56	C	55.2	Low	62.1	Low	98 Å²	98	124.6 Å²	124.6	66%	0.662	66%	0.657	S	S	*	*	H	α-helix	trans	-48.9	-28	176.6	-166	0	0	0	0	112.4	M54 L60	M54-C56 PolarHBondContact O-N 3.13Å; C56-L60 WeakPolarHBondContact O-CB 3.24Å; C56-L60 PolarHBondContact O-N 2.88Å; C56-L60 VanDerWaalsContact O-N 3.08Å
57	S	68.4	Low	64.4	Low	84 Å²	84	122.9 Å²	122.9	59%	0.587	64%	0.635	S	S	*	*	H	α-helix	trans	-64.7	-36.6	174.8	177.1	0	0	0	0	113.9	S55 C61	S55-S57 PolarHBondContact O-N 2.66Å; S55-S57 PolarHBondContact OG-N 3.22Å; S57-C61 VanDerWaalsContact O-CB 3.29Å; S57-C61 WeakPolarHBondContact O-CB 3.26Å; S57-C61 PolarHBondContact O-N 2.87Å
58	Y	73.6	Confident	67.2	Low	152 Å²	152	114 Å²	114	60%	0.596	61%	0.613	S	S	*	*	H	α-helix	trans	-72.2	-40.5	178.6	-170.2	-95.4	0	0	0	111.3	M54 S55 C61 T62	M54-Y58 HydrophobicContact CE-CD1 4.03Å; M54-Y58 HydrophobicContact CE-CE1 4.39Å; S55-Y58 PolarHBondContact O-N 3.03Å; Y58-C61 PolarHBondContact O-N 3.48Å; Y58-T62 HydrophobicContact CD1-CG2 4.06Å; Y58-T62 HydrophobicContact CE1-CG2 3.76Å; Y58-T62 WeakPolarHBondContact O-CG2 3.38Å; Y58-T62 PolarHBondContact O-N 3.26Å; Y58-T62 PolarHBondContact O-OG1 3.21Å
59	L	77.2	Confident	69.8	Low	86 Å²	86	109.1 Å²	109.1	45%	0.45	60%	0.596	S	S	.	*	H	α-helix	trans	-63.1	-46.4	176	-129	103.9	0	0	0	111	M54 C61 T62 I63	M54-L59 HydrophobicContact CE-CD1 3.87Å; L59-C61 VanDerWaalsContact C-N 3.32Å; L59-C61 PolarHBondContact O-N 3.04Å; L59-T62 WeakPolarHBondContact CA-OG1 3.34Å; L59-T62 PolarHBondContact O-N 3.41Å; L59-T62 PolarHBondContact O-OG1 2.86Å; L59-I63 HydrophobicContact CD2-CD1 4.25Å; L59-I63 VanDerWaalsContact O-CG1 3.26Å; L59-I63 WeakPolarHBondContact O-CG1 3.32Å; L59-I63 PolarHBondContact O-N 2.55Å
60	L	80.4	Confident	72.3	Confident	96 Å²	96	108 Å²	108	50%	0.503	58%	0.584	S	S	.	*	H	α-helix	trans	-58.4	-43	174.2	-102.2	150.3	0	0	0	112	C56 I63 L64	C56-L60 WeakPolarHBondContact O-CB 3.24Å; C56-L60 PolarHBondContact O-N 2.88Å; C56-L60 VanDerWaalsContact O-N 3.08Å; L60-I63 PolarHBondContact O-N 3.25Å; L60-L64 WeakPolarHBondContact O-CB 3.25Å; L60-L64 VanDerWaalsContact O-CG 3.23Å; L60-L64 WeakPolarHBondContact O-CG 3.48Å; L60-L64 PolarHBondContact O-N 3.38Å
61	C	78.5	Confident	74.9	Confident	67 Å²	67	106.7 Å²	106.7	45%	0.453	57%	0.57	S	S	.	*	H	α-helix	trans	-65.2	-41.3	178.2	-161.8	0	0	0	0	111.9	S57 Y58 L59 L64 L65	S57-C61 VanDerWaalsContact O-CB 3.29Å; S57-C61 WeakPolarHBondContact O-CB 3.26Å; S57-C61 PolarHBondContact O-N 2.87Å; Y58-C61 PolarHBondContact O-N 3.48Å; L59-C61 VanDerWaalsContact C-N 3.32Å; L59-C61 PolarHBondContact O-N 3.04Å; C61-L64 PolarHBondContact O-N 3.2Å; C61-L65 WeakPolarHBondContact O-CB 3.4Å; C61-L65 WeakPolarHBondContact O-CG 3.29Å; C61-L65 PolarHBondContact O-N 2.91Å
62	T	79.4	Confident	77	Confident	44 Å²	44	104.7 Å²	104.7	27%	0.27	55%	0.554	S	S	.	*	H	α-helix	trans	-65.3	-41	175.3	55.6	0	0	0	0	112.2	Y58 L59 L65 F66	Y58-T62 HydrophobicContact CD1-CG2 4.06Å; Y58-T62 HydrophobicContact CE1-CG2 3.76Å; Y58-T62 WeakPolarHBondContact O-CG2 3.38Å; Y58-T62 PolarHBondContact O-N 3.26Å; Y58-T62 PolarHBondContact O-OG1 3.21Å; L59-T62 WeakPolarHBondContact CA-OG1 3.34Å; L59-T62 PolarHBondContact O-N 3.41Å; L59-T62 PolarHBondContact O-OG1 2.86Å; T62-L65 PolarHBondContact O-N 2.78Å; T62-F66 VanDerWaalsContact O-CD2 3.29Å; T62-F66 WeakPolarHBondContact O-CD2 3.16Å; T62-F66 PolarHBondContact O-N 2.75Å
63	I	88.5	Confident	79.1	Confident	91 Å²	91	99.5 Å²	99.5	47%	0.467	54%	0.538	S	S	.	.	H	α-helix	trans	-65.2	-43.8	177.7	-68.2	165.7	0	0	0	110.3	L59 L60 L65 F66 V67	L59-I63 HydrophobicContact CD2-CD1 4.25Å; L59-I63 VanDerWaalsContact O-CG1 3.26Å; L59-I63 WeakPolarHBondContact O-CG1 3.32Å; L59-I63 PolarHBondContact O-N 2.55Å; L60-I63 PolarHBondContact O-N 3.25Å; I63-L65 VanDerWaalsContact C-N 3.33Å; I63-L65 PolarHBondContact O-N 3.45Å; I63-F66 PolarHBondContact O-N 2.74Å; I63-V67 HydrophobicContact CG2-CG2 4.43Å; I63-V67 VanDerWaalsContact O-CG2 3.3Å; I63-V67 WeakPolarHBondContact O-CG2 3.35Å; I63-V67 PolarHBondContact O-N 2.96Å
64	L	87.5	Confident	80.8	Confident	111 Å²	111	91.3 Å²	91.3	58%	0.581	52%	0.516	S	S	*	.	H	α-helix	trans	-63.9	-38.1	177.4	-72.2	169.9	0	0	0	112.1	L60 C61 V67 A68	L60-L64 WeakPolarHBondContact O-CB 3.25Å; L60-L64 VanDerWaalsContact O-CG 3.23Å; L60-L64 WeakPolarHBondContact O-CG 3.48Å; L60-L64 PolarHBondContact O-N 3.38Å; C61-L64 PolarHBondContact O-N 3.2Å; L64-V67 PolarHBondContact O-N 2.92Å; L64-A68 WeakPolarHBondContact O-CB 3.42Å; L64-A68 PolarHBondContact O-N 2.86Å
65	L	88.7	Confident	82.9	Confident	106 Å²	106	89.3 Å²	89.3	56%	0.555	51%	0.51	S	S	*	.	H	α-helix	trans	-64.1	-44.1	172.8	-82.9	165.1	0	0	0	111.9	C61 T62 I63 V67 A68 V69	C61-L65 WeakPolarHBondContact O-CB 3.4Å; C61-L65 WeakPolarHBondContact O-CG 3.29Å; C61-L65 PolarHBondContact O-N 2.91Å; T62-L65 PolarHBondContact O-N 2.78Å; I63-L65 VanDerWaalsContact C-N 3.33Å; I63-L65 PolarHBondContact O-N 3.45Å; L65-V67 VanDerWaalsContact C-N 3.35Å; L65-V67 PolarHBondContact O-N 3.3Å; L65-A68 PolarHBondContact O-N 3.43Å; L65-V69 VanDerWaalsContact O-CG2 3.29Å; L65-V69 WeakPolarHBondContact O-CG2 3.16Å; L65-V69 PolarHBondContact O-N 3.42Å
66	F	91	Very high	84	Confident	147 Å²	147	89.3 Å²	89.3	65%	0.645	51%	0.507	S	S	*	.	H	α-helix	trans	-62.4	-41.5	176	-93.5	-75.6	0	0	0	112.3	T62 I63 V69 L70	T62-F66 VanDerWaalsContact O-CD2 3.29Å; T62-F66 WeakPolarHBondContact O-CD2 3.16Å; T62-F66 PolarHBondContact O-N 2.75Å; I63-F66 PolarHBondContact O-N 2.74Å; F66-V69 PolarHBondContact O-N 3.44Å; F66-L70 WeakPolarHBondContact O-CB 3.29Å; F66-L70 WeakPolarHBondContact O-CG 3.47Å; F66-L70 PolarHBondContact O-N 2.95Å
67	V	92.1	Very high	85.4	Confident	71 Å²	71	86.4 Å²	86.4	43%	0.43	49%	0.494	S	S	.	.	H	α-helix	trans	-65.1	-41.7	175.9	172.9	0	0	0	0	110.8	I63 L64 L65 L70 L71	I63-V67 HydrophobicContact CG2-CG2 4.43Å; I63-V67 VanDerWaalsContact O-CG2 3.3Å; I63-V67 WeakPolarHBondContact O-CG2 3.35Å; I63-V67 PolarHBondContact O-N 2.96Å; L64-V67 PolarHBondContact O-N 2.92Å; L65-V67 VanDerWaalsContact C-N 3.35Å; L65-V67 PolarHBondContact O-N 3.3Å; V67-L70 PolarHBondContact O-N 3.36Å; V67-L71 HydrophobicContact CG1-CD1 4.04Å; V67-L71 HydrophobicContact CG1-CG 4.49Å; V67-L71 WeakPolarHBondContact O-CB 3.48Å; V67-L71 VanDerWaalsContact O-CG 3.31Å; V67-L71 WeakPolarHBondContact O-CG 3.4Å; V67-L71 PolarHBondContact O-N 3.49Å
68	A	90.5	Very high	85.9	Confident	54 Å²	54	86.1 Å²	86.1	45%	0.446	49%	0.489	S	S	.	.	H	α-helix	trans	-64.1	-41.6	176.8	0	0	0	0	0	112.3	L64 L65 L71 A72	L64-A68 WeakPolarHBondContact O-CB 3.42Å; L64-A68 PolarHBondContact O-N 2.86Å; L65-A68 PolarHBondContact O-N 3.43Å; A68-L71 PolarHBondContact O-N 2.82Å; A68-A72 WeakPolarHBondContact O-CB 3.24Å; A68-A72 PolarHBondContact O-N 3.23Å
69	V	90.5	Very high	86.1	Confident	86 Å²	86	83.9 Å²	83.9	52%	0.521	49%	0.486	S	S	.	.	H	α-helix	trans	-66.4	-42.9	175.8	172.4	0	0	0	0	110.9	L65 F66 L71 A72 V73	L65-V69 VanDerWaalsContact O-CG2 3.29Å; L65-V69 WeakPolarHBondContact O-CG2 3.16Å; L65-V69 PolarHBondContact O-N 3.42Å; F66-V69 PolarHBondContact O-N 3.44Å; V69-L71 VanDerWaalsContact C-N 3.33Å; V69-L71 PolarHBondContact O-N 3.45Å; V69-A72 PolarHBondContact O-N 3.42Å; V69-V73 HydrophobicContact CG1-CG2 4.34Å; V69-V73 WeakPolarHBondContact O-CB 3.28Å; V69-V73 VanDerWaalsContact O-CG2 3.29Å; V69-V73 WeakPolarHBondContact O-CG2 3.18Å; V69-V73 PolarHBondContact O-N 2.92Å
70	L	90.1	Very high	85.8	Confident	110 Å²	110	85.1 Å²	85.1	58%	0.576	49%	0.492	S	S	*	.	H	α-helix	trans	-61	-42.5	175.5	-83.5	163.2	0	0	0	111.7	F66 V67 V73 T74	F66-L70 WeakPolarHBondContact O-CB 3.29Å; F66-L70 WeakPolarHBondContact O-CG 3.47Å; F66-L70 PolarHBondContact O-N 2.95Å; V67-L70 PolarHBondContact O-N 3.36Å; L70-V73 PolarHBondContact O-N 2.81Å; L70-T74 VanDerWaalsContact O-CG2 3.3Å; L70-T74 WeakPolarHBondContact O-CG2 3.33Å; L70-T74 PolarHBondContact O-N 2.78Å; L70-T74 PolarHBondContact O-OG1 2.83Å; L70-T74 VanDerWaalsContact O-OG1 3.07Å
71	L	92.3	Very high	85.2	Confident	100 Å²	100	86.4 Å²	86.4	52%	0.524	49%	0.494	S	S	.	.	H	α-helix	trans	-65.4	-39.6	175	-72.9	171.4	0	0	0	112.2	V67 A68 V69 T74 V75	V67-L71 HydrophobicContact CG1-CD1 4.04Å; V67-L71 HydrophobicContact CG1-CG 4.49Å; V67-L71 WeakPolarHBondContact O-CB 3.48Å; V67-L71 VanDerWaalsContact O-CG 3.31Å; V67-L71 WeakPolarHBondContact O-CG 3.4Å; V67-L71 PolarHBondContact O-N 3.49Å; A68-L71 PolarHBondContact O-N 2.82Å; V69-L71 VanDerWaalsContact C-N 3.33Å; V69-L71 PolarHBondContact O-N 3.45Å; L71-T74 WeakPolarHBondContact CA-OG1 3.41Å; L71-T74 PolarHBondContact O-N 3.22Å; L71-T74 PolarHBondContact O-OG1 2.83Å; L71-V75 VanDerWaalsContact O-CB 3.28Å; L71-V75 WeakPolarHBondContact O-CB 3.43Å; L71-V75 WeakPolarHBondContact O-CG2 3.46Å; L71-V75 PolarHBondContact O-N 2.89Å
72	A	87.4	Confident	84.7	Confident	52 Å²	52	89.5 Å²	89.5	43%	0.43	50%	0.503	S	S	.	.	H	α-helix	trans	-64.9	-41.7	175.5	0	0	0	0	0	111.4	A68 V69 T76	A68-A72 WeakPolarHBondContact O-CB 3.24Å; A68-A72 PolarHBondContact O-N 3.23Å; V69-A72 PolarHBondContact O-N 3.42Å; A72-T76 VanDerWaalsContact O-CB 3.26Å; A72-T76 WeakPolarHBondContact O-CB 3.42Å; A72-T76 PolarHBondContact O-N 2.67Å; A72-T76 PolarHBondContact O-OG1 3.15Å
73	V	89.1	Confident	83.6	Confident	92 Å²	92	92.6 Å²	92.6	56%	0.558	52%	0.519	S	S	*	.	H	α-helix	trans	-67.7	-41.1	177.3	172.2	0	0	0	0	111.3	V69 L70 G77	V69-V73 HydrophobicContact CG1-CG2 4.34Å; V69-V73 WeakPolarHBondContact O-CB 3.28Å; V69-V73 VanDerWaalsContact O-CG2 3.29Å; V69-V73 WeakPolarHBondContact O-CG2 3.18Å; V69-V73 PolarHBondContact O-N 2.92Å; L70-V73 PolarHBondContact O-N 2.81Å; V73-G77 WeakPolarHBondContact O-CA 3.34Å; V73-G77 PolarHBondContact O-N 3.2Å
74	T	87.8	Confident	81.8	Confident	75 Å²	75	95.8 Å²	95.8	46%	0.46	53%	0.531	S	S	.	.	H	α-helix	trans	-68.8	-40.7	176.8	55.2	0	0	0	0	111.5	L70 L71 G77 T78	L70-T74 VanDerWaalsContact O-CG2 3.3Å; L70-T74 WeakPolarHBondContact O-CG2 3.33Å; L70-T74 PolarHBondContact O-N 2.78Å; L70-T74 PolarHBondContact O-OG1 2.83Å; L70-T74 VanDerWaalsContact O-OG1 3.07Å; L71-T74 WeakPolarHBondContact CA-OG1 3.41Å; L71-T74 PolarHBondContact O-N 3.22Å; L71-T74 PolarHBondContact O-OG1 2.83Å; T74-G77 PolarHBondContact O-N 3.43Å; T74-T78 WeakPolarHBondContact O-CB 3.48Å; T74-T78 VanDerWaalsContact O-CG2 3.27Å; T74-T78 WeakPolarHBondContact O-CG2 3.44Å; T74-T78 PolarHBondContact O-N 3.37Å; T74-T78 PolarHBondContact O-OG1 2.83Å; T74-T78 VanDerWaalsContact O-OG1 3.04Å
75	V	92	Very high	79.7	Confident	76 Å²	76	98.3 Å²	98.3	46%	0.461	53%	0.534	S	S	.	.	H	α-helix	trans	-66.2	-42.1	175.4	170.9	0	0	0	0	111.4	L71 G77 T78 I79	L71-V75 VanDerWaalsContact O-CB 3.28Å; L71-V75 WeakPolarHBondContact O-CB 3.43Å; L71-V75 WeakPolarHBondContact O-CG2 3.46Å; L71-V75 PolarHBondContact O-N 2.89Å; V75-G77 VanDerWaalsContact C-N 3.34Å; V75-T78 WeakPolarHBondContact CA-OG1 3.34Å; V75-T78 PolarHBondContact O-N 3.11Å; V75-T78 PolarHBondContact O-OG1 2.98Å; V75-I79 HydrophobicContact CG1-CD1 3.7Å; V75-I79 HydrophobicContact CG1-CG1 4.38Å; V75-I79 WeakPolarHBondContact O-CB 3.42Å; V75-I79 WeakPolarHBondContact O-CD1 3.43Å; V75-I79 WeakPolarHBondContact O-CG1 3.45Å; V75-I79 PolarHBondContact O-N 3.13Å
76	T	82.9	Confident	77.4	Confident	78 Å²	78	101.3 Å²	101.3	48%	0.479	55%	0.545	S	S	.	.	H	α-helix	trans	-68.7	-38	176.9	-48.5	0	0	0	0	110.6	A72 I79 L80	A72-T76 VanDerWaalsContact O-CB 3.26Å; A72-T76 WeakPolarHBondContact O-CB 3.42Å; A72-T76 PolarHBondContact O-N 2.67Å; A72-T76 PolarHBondContact O-OG1 3.15Å; T76-I79 PolarHBondContact O-N 2.89Å; T76-L80 HydrophobicContact CG2-CD1 4.27Å; T76-L80 VanDerWaalsContact O-CB 3.31Å; T76-L80 WeakPolarHBondContact O-CB 3.45Å; T76-L80 VanDerWaalsContact O-CG 3.28Å; T76-L80 WeakPolarHBondContact O-CG 3.28Å; T76-L80 PolarHBondContact O-N 3.21Å
77	G	85.3	Confident	74.7	Confident	37 Å²	37	97.3 Å²	97.3	38%	0.381	54%	0.539	S	S	.	.	H	α-helix	trans	-65.4	-40.8	174.1	0	0	0	0	0	112.6	V73 T74 V75 L80 F81	V73-G77 WeakPolarHBondContact O-CA 3.34Å; V73-G77 PolarHBondContact O-N 3.2Å; T74-G77 PolarHBondContact O-N 3.43Å; V75-G77 VanDerWaalsContact C-N 3.34Å; G77-L80 PolarHBondContact O-N 2.95Å; G77-F81 WeakPolarHBondContact O-CB 3.36Å; G77-F81 PolarHBondContact O-N 3.01Å
78	T	78.7	Confident	72	Confident	78 Å²	78	99.1 Å²	99.1	48%	0.479	55%	0.553	S	S	.	*	H	α-helix	trans	-72.5	-35.5	174.7	55.2	0	0	0	0	111.7	T74 V75 F81 M82	T74-T78 WeakPolarHBondContact O-CB 3.48Å; T74-T78 VanDerWaalsContact O-CG2 3.27Å; T74-T78 WeakPolarHBondContact O-CG2 3.44Å; T74-T78 PolarHBondContact O-N 3.37Å; T74-T78 PolarHBondContact O-OG1 2.83Å; T74-T78 VanDerWaalsContact O-OG1 3.04Å; V75-T78 WeakPolarHBondContact CA-OG1 3.34Å; V75-T78 PolarHBondContact O-N 3.11Å; V75-T78 PolarHBondContact O-OG1 2.98Å; T78-F81 PolarHBondContact O-N 3Å; T78-M82 VanDerWaalsContact O-CB 3.23Å; T78-M82 WeakPolarHBondContact O-CB 3.42Å; T78-M82 WeakPolarHBondContact O-CG 2.87Å; T78-M82 PolarHBondContact O-N 3.41Å
79	I	77.6	Confident	69.4	Low	105 Å²	105	102.3 Å²	102.3	54%	0.538	57%	0.569	S	S	.	*	H	α-helix	trans	-64.6	-45.2	171.9	-70.5	166	0	0	0	110	V75 T76 F81 M82 N83	V75-I79 HydrophobicContact CG1-CD1 3.7Å; V75-I79 HydrophobicContact CG1-CG1 4.38Å; V75-I79 WeakPolarHBondContact O-CB 3.42Å; V75-I79 WeakPolarHBondContact O-CD1 3.43Å; V75-I79 WeakPolarHBondContact O-CG1 3.45Å; V75-I79 PolarHBondContact O-N 3.13Å; T76-I79 PolarHBondContact O-N 2.89Å; I79-F81 VanDerWaalsContact C-N 3.34Å; I79-F81 PolarHBondContact O-N 2.87Å; I79-M82 PolarHBondContact O-N 2.79Å; I79-N83 WeakPolarHBondContact O-CB 3.05Å; I79-N83 PolarHBondContact O-N 3.48Å
80	L	71.6	Confident	66.9	Low	111 Å²	111	107 Å²	107	58%	0.581	59%	0.587	S	S	*	*	H	α-helix	trans	-62.5	-41.3	174.8	-77.3	168.2	0	0	0	111.6	T76 G77 N83 H84	T76-L80 HydrophobicContact CG2-CD1 4.27Å; T76-L80 VanDerWaalsContact O-CB 3.31Å; T76-L80 WeakPolarHBondContact O-CB 3.45Å; T76-L80 VanDerWaalsContact O-CG 3.28Å; T76-L80 WeakPolarHBondContact O-CG 3.28Å; T76-L80 PolarHBondContact O-N 3.21Å; G77-L80 PolarHBondContact O-N 2.95Å; L80-N83 PolarHBondContact O-N 2.82Å; L80-H84 WeakPolarHBondContact O-CB 3.27Å; L80-H84 PolarHBondContact O-N 2.8Å
81	F	67.6	Low	64.6	Low	123 Å²	123	106.6 Å²	106.6	54%	0.539	59%	0.593	S	S	.	*	H	α-helix	trans	-65.4	-42.9	176.1	-171.7	-98	0	0	0	111.8	G77 T78 I79 H84 Y85	G77-F81 WeakPolarHBondContact O-CB 3.36Å; G77-F81 PolarHBondContact O-N 3.01Å; T78-F81 PolarHBondContact O-N 3Å; I79-F81 VanDerWaalsContact C-N 3.34Å; I79-F81 PolarHBondContact O-N 2.87Å; F81-H84 CarbonylContact O-C 3.55Å; F81-H84 PolarHBondContact O-N 2.92Å; F81-Y85 AromaticContact CD1-CD2 3.9Å; F81-Y85 HydrophobicContact CD1-CD2 3.9Å; F81-Y85 HydrophobicContact CD1-CE2 4.08Å; F81-Y85 AromaticContact CE1-CD2 3.63Å; F81-Y85 HydrophobicContact CE1-CD2 3.63Å; F81-Y85 AromaticContact CE1-CE2 3.36Å; F81-Y85 HydrophobicContact CE1-CE2 3.36Å; F81-Y85 HydrophobicContact CE2-CD2 4.38Å; F81-Y85 AromaticContact CE2-CE2 3.87Å; F81-Y85 HydrophobicContact CE2-CE2 3.87Å; F81-Y85 HydrophobicContact CG-CD2 4.39Å; F81-Y85 AromaticContact CZ-CD2 3.91Å; F81-Y85 HydrophobicContact CZ-CD2 3.91Å; F81-Y85 AromaticContact CZ-CE2 3.24Å; F81-Y85 HydrophobicContact CZ-CE2 3.24Å; F81-Y85 WeakPolarHBondContact O-CB 3.33Å; F81-Y85 WeakPolarHBondContact O-CD2 3.34Å; F81-Y85 PolarHBondContact O-N 2.65Å
82	M	68.6	Low	61.9	Low	132 Å²	132	106.7 Å²	106.7	65%	0.65	59%	0.594	S	S	*	*	H	α-helix	trans	-70.3	-32.4	176.4	-67.8	-69.5	-85.1	0	0	112.1	T78 I79 Y85 Q86	T78-M82 VanDerWaalsContact O-CB 3.23Å; T78-M82 WeakPolarHBondContact O-CB 3.42Å; T78-M82 WeakPolarHBondContact O-CG 2.87Å; T78-M82 PolarHBondContact O-N 3.41Å; I79-M82 PolarHBondContact O-N 2.79Å; M82-Y85 PolarHBondContact O-N 3.37Å; M82-Q86 PolarHBondContact O-N 2.84Å
83	N	54.9	Low	59.9	Low	110 Å²	110	106.8 Å²	106.8	59%	0.588	60%	0.6	S	S	*	*	H	α-helix	trans	-74.4	-27.8	173.8	-155.3	33.2	0	0	0	111.4	I79 L80 Y85	I79-N83 WeakPolarHBondContact O-CB 3.05Å; I79-N83 PolarHBondContact O-N 3.48Å; L80-N83 PolarHBondContact O-N 2.82Å; N83-Y85 VanDerWaalsContact C-N 3.34Å
84	H	51.3	Low	57.7	Low	158 Å²	158	109.3 Å²	109.3	73%	0.731	61%	0.61	S	S	*	*	H	α-helix	trans	-78.3	-19.3	167.9	-130.7	34	0	0	0	112.9	L80 F81 Q86	L80-H84 WeakPolarHBondContact O-CB 3.27Å; L80-H84 PolarHBondContact O-N 2.8Å; F81-H84 CarbonylContact O-C 3.55Å; F81-H84 PolarHBondContact O-N 2.92Å; H84-Q86 VanDerWaalsContact C-N 3.34Å
85	Y	44.2	Very low	55.7	Low	164 Å²	164	109.8 Å²	109.8	64%	0.643	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	0.8	175.2	-104.3	-96	0	0	0	114.4	F81 M82 N83 A87	F81-Y85 AromaticContact CD1-CD2 3.9Å; F81-Y85 HydrophobicContact CD1-CD2 3.9Å; F81-Y85 HydrophobicContact CD1-CE2 4.08Å; F81-Y85 AromaticContact CE1-CD2 3.63Å; F81-Y85 HydrophobicContact CE1-CD2 3.63Å; F81-Y85 AromaticContact CE1-CE2 3.36Å; F81-Y85 HydrophobicContact CE1-CE2 3.36Å; F81-Y85 HydrophobicContact CE2-CD2 4.38Å; F81-Y85 AromaticContact CE2-CE2 3.87Å; F81-Y85 HydrophobicContact CE2-CE2 3.87Å; F81-Y85 HydrophobicContact CG-CD2 4.39Å; F81-Y85 AromaticContact CZ-CD2 3.91Å; F81-Y85 HydrophobicContact CZ-CD2 3.91Å; F81-Y85 AromaticContact CZ-CE2 3.24Å; F81-Y85 HydrophobicContact CZ-CE2 3.24Å; F81-Y85 WeakPolarHBondContact O-CB 3.33Å; F81-Y85 WeakPolarHBondContact O-CD2 3.34Å; F81-Y85 PolarHBondContact O-N 2.65Å; M82-Y85 PolarHBondContact O-N 3.37Å; N83-Y85 VanDerWaalsContact C-N 3.34Å; Y85-A87 VanDerWaalsContact C-N 3.27Å
86	Q	40.3	Very low	53.7	Low	169 Å²	169	110.3 Å²	110.3	79%	0.79	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	8.1	164.5	-103.9	179.4	-11.5	0	0	113.7	M82 H84	M82-Q86 PolarHBondContact O-N 2.84Å; H84-Q86 VanDerWaalsContact C-N 3.34Å
87	A	34.2	Very low	52.1	Low	63 Å²	63	111.2 Å²	111.2	52%	0.521	61%	0.612	S	S	.	*	S	Bend	trans	-97.5	120.6	156.2	0	0	0	0	0	108.2	Y85	Y85-A87 VanDerWaalsContact C-N 3.27Å
88	P	35.8	Very low	50.6	Low	109 Å²	109	110.3 Å²	110.3	71%	0.708	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-56.9	156.6	169	-14	27.2	0	0	0	109.7	M90	P88-M90 PolarHBondContact O-N 2.81Å
89	P	34.7	Very low	49.1	Very low	121 Å²	121	109.5 Å²	109.5	79%	0.786	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-55.3	119.7	174	25	-31.8	0	0	0	108.3	S91	P89-S91 PolarHBondContact O-N 3.49Å
90	M	38	Very low	47.9	Very low	185 Å²	185	108.5 Å²	108.5	91%	0.911	59%	0.591	S	S	*	*			trans	-64	89.1	177.1	-167.7	-178.6	-90.2	0	0	108.3	P88	P88-M90 PolarHBondContact O-N 2.81Å
91	S	42.7	Very low	46.7	Very low	100 Å²	100	112.3 Å²	112.3	70%	0.699	61%	0.606	S	S	*	*			trans	-106.5	19.5	160.8	176.2	0	0	0	0	109.8	P89 G93	P89-S91 PolarHBondContact O-N 3.49Å; S91-G93 PolarHBondContact O-N 2.94Å
92	D	36.4	Very low	45.8	Very low	103 Å²	103	113.7 Å²	113.7	55%	0.551	62%	0.619	S	S	*	*			trans	-92.9	92.6	-179.3	-73.5	-3.2	0	0	0	108.2	G113	D92-G113 WeakPolarHBondContact OD1-CA 3.39Å
93	G	45.4	Very low	44.8	Very low	53 Å²	53	113.6 Å²	113.6	55%	0.546	62%	0.617	S	S	.	*			trans	-52	143.3	157.4	0	0	0	0	0	109.3	S91	S91-G93 PolarHBondContact O-N 2.94Å
94	L	42.8	Very low	44.5	Very low	146 Å²	146	112.2 Å²	112.2	76%	0.764	62%	0.62	S	S	*	*			trans	-44.2	135.3	169.7	-122.3	81.6	0	0	0	108.9	H96	L94-H96 PolarHBondContact O-N 2.75Å
95	P	45.8	Very low	44.5	Very low	84 Å²	84	112 Å²	112	55%	0.545	62%	0.624	S	S	.	*			trans	-53.4	118.8	-178.3	20	-31.2	0	0	0	109.8	I97	P95-I97 PolarHBondContact O-N 3.1Å
96	H	48.8	Very low	45	Very low	87 Å²	87	104.8 Å²	104.8	40%	0.403	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.5	104.3	-177.8	-171.9	-83.1	0	0	0	107.8	L94 E111	L94-H96 PolarHBondContact O-N 2.75Å; H96-E111 PolarHBondContact N-O 2.81Å; H96-E111 PolarHBondContact O-N 2.85Å
97	I	49.5	Very low	45.8	Very low	97 Å²	97	100.8 Å²	100.8	50%	0.497	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.1	115.5	176.4	-58.5	173.6	0	0	0	106.7	P95 V108	P95-I97 PolarHBondContact O-N 3.1Å; I97-V108 HydrophobicContact CG2-CG1 3.96Å
98	S	53.1	Low	46.8	Very low	19 Å²	19	100 Å²	100	13%	0.133	57%	0.571	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.4	131.8	-177	167.4	0	0	0	0	110	N100 T109	S98-N100 PolarHBondContact O-N 2.76Å; S98-T109 PolarHBondContact N-O 3.42Å; S98-T109 VanDerWaalsContact N-O 3.11Å; S98-T109 PolarHBondContact O-N 3Å; S98-T109 VanDerWaalsContact O-N 3.08Å
99	T	48.8	Very low	48	Very low	60 Å²	60	95.6 Å²	95.6	37%	0.368	54%	0.543	S	S	.	.			trans	-92.8	81.5	165.6	59.3	0	0	0	0	108.1
100	N	50.7	Low	49.2	Very low	84 Å²	84	91.9 Å²	91.9	45%	0.449	52%	0.518	S	S	.	.			trans	-82.2	122.7	179.8	-117.5	-15.1	0	0	0	110.3	S98	S98-N100 PolarHBondContact O-N 2.76Å
101	Q	48.1	Very low	50.1	Low	192 Å²	192	86.1 Å²	86.1	90%	0.897	49%	0.488	S	S	*	.	S	Bend	trans	-84.8	-7.7	173.9	-77.7	-174.3	-13	0	0	113.6
102	D	48.8	Very low	50.8	Low	152 Å²	152	88.6 Å²	88.6	81%	0.813	48%	0.482	S	S	*	.	S	Bend	trans	-97	-3.9	-167.8	-89.7	-26.1	0	0	0	116
103	E	47	Very low	51.4	Low	130 Å²	130	84.7 Å²	84.7	61%	0.607	47%	0.467	S	S	*	.	S	Bend	trans	-129.8	105.4	173.2	-74.5	-173.7	164.7	0	0	111.9	N105	E103-N105 PolarHBondContact O-N 2.8Å
104	A	48	Very low	51.7	Low	80 Å²	80	87 Å²	87	66%	0.661	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	50.1	155.4	0	0	0	0	0	117.9	A106 F121	A104-A106 VanDerWaalsContact C-N 3.28Å; A104-A106 PolarHBondContact O-N 3.22Å; A104-A106 VanDerWaalsContact O-N 3.16Å; A104-F121 WeakPolarHBondContact O-CD1 3.38Å; A104-F121 WeakPolarHBondContact O-CE1 3.05Å
105	N	52	Low	52.4	Low	153 Å²	153	82.6 Å²	82.6	82%	0.818	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	25.1	166.3	-57.1	-26.4	0	0	0	116	E103	E103-N105 PolarHBondContact O-N 2.8Å
106	A	54.3	Low	53.2	Low	14 Å²	14	81 Å²	81	12%	0.116	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	132.1	169	0	0	0	0	0	110.1	A104 N119 F121	A104-A106 VanDerWaalsContact C-N 3.28Å; A104-A106 PolarHBondContact O-N 3.22Å; A104-A106 VanDerWaalsContact O-N 3.16Å; A106-N119 HydrophobicContact CB-CB 4.18Å; A106-F121 HydrophobicContact CB-CD1 3.96Å; A106-F121 HydrophobicContact CB-CE1 3.64Å; A106-F121 HydrophobicContact CB-CZ 4.22Å
107	L	57	Low	53.9	Low	85 Å²	85	83.4 Å²	83.4	45%	0.445	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-36.3	-179.7	-146.2	81.1	0	0	0	111.7	I120 I122	L107-I120 PolarHBondContact N-O 2.62Å; L107-I122 HydrophobicContact CD1-CD1 3.51Å; L107-I122 HydrophobicContact CD1-CG1 3.97Å; L107-I122 HydrophobicContact CD2-CD1 4.09Å; L107-I122 HydrophobicContact CD2-CG1 4.23Å; L107-I122 HydrophobicContact CG-CD1 4.37Å; L107-I122 HydrophobicContact CG-CG1 4.5Å
108	V	55.1	Low	54.7	Low	46 Å²	46	83 Å²	83	28%	0.279	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	128.7	177.7	-179.5	0	0	0	0	108.1	I97 V110 I120	I97-V108 HydrophobicContact CG2-CG1 3.96Å; V108-V110 HydrophobicContact CG1-CG2 4.06Å; V108-I120 PolarHBondContact O-N 2.7Å
109	T	60.9	Low	55.1	Low	17 Å²	17	85.2 Å²	85.2	10%	0.104	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.8	169.9	-65	0	0	0	0	108.7	S98 R117 I118 N119	S98-T109 PolarHBondContact N-O 3.42Å; S98-T109 VanDerWaalsContact N-O 3.11Å; S98-T109 PolarHBondContact O-N 3Å; S98-T109 VanDerWaalsContact O-N 3.08Å; T109-R117 HydrophobicContact CG2-CB 4.48Å; T109-I118 WeakPolarHBondContact CA-O 3.22Å; T109-N119 WeakPolarHBondContact CB-OD1 3.48Å; T109-N119 WeakPolarHBondContact CG2-OD1 3.24Å; T109-N119 PolarHBondContact OG1-OD1 3.27Å
110	V	60.8	Low	55.8	Low	43 Å²	43	86.8 Å²	86.8	26%	0.261	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	112.1	173.8	-176.2	0	0	0	0	107.8	V108 I118	V108-V110 HydrophobicContact CG1-CG2 4.06Å; V110-I118 HydrophobicContact CB-CB 4.4Å; V110-I118 PolarHBondContact N-O 2.86Å; V110-I118 PolarHBondContact O-N 2.79Å
111	E	55.1	Low	56.1	Low	63 Å²	63	87.9 Å²	87.9	29%	0.294	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	117.3	173.5	-162.5	161	-148.1	0	0	108.5	H96 R117	H96-E111 PolarHBondContact N-O 2.81Å; H96-E111 PolarHBondContact O-N 2.85Å; E111-R117 HydrophobicContact CB-CG 4.43Å; E111-R117 HydrophobicContact CG-CG 3.96Å; E111-R117 IonicContact OE1-CZ 3.26Å; E111-R117 VanDerWaalsContact OE1-CZ 3.26Å; E111-R117 IonicContact OE1-NE 2.76Å; E111-R117 PolarHBondContact OE1-NE 2.89Å; E111-R117 IonicContact OE1-NH2 2.85Å; E111-R117 PolarHBondContact OE1-NH2 3.09Å; E111-R117 IonicContact OE2-NH2 3.68Å
112	R	58.8	Low	56.5	Low	152 Å²	152	83.4 Å²	83.4	57%	0.574	45%	0.449	S	S	*	.			trans	-85.8	152.9	179.5	-178.7	-178.6	-94	-171	-5.2	108.9	D114 G115 S116	R112-D114 WeakPolarHBondContact CB-OD1 3.36Å; R112-D114 WeakPolarHBondContact CD-OD2 3.47Å; R112-D114 WeakPolarHBondContact CG-OD1 3.05Å; R112-D114 PolarHBondContact O-N 2.03Å; R112-G115 PolarHBondContact O-N 3.1Å; R112-S116 PolarHBondContact N-O 2.76Å
113	G	48.5	Very low	56.5	Low	22 Å²	22	80.5 Å²	80.5	23%	0.227	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-22.1	-176.9	0	0	0	0	0	115.3	D92 G115	D92-G113 WeakPolarHBondContact OD1-CA 3.39Å; G113-G115 PolarHBondContact O-N 3.02Å
114	D	51.9	Low	56.6	Low	100 Å²	100	80.1 Å²	80.1	54%	0.535	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	3.2	175.2	61.5	6.1	0	0	0	114.5	R112 S116	R112-D114 WeakPolarHBondContact CB-OD1 3.36Å; R112-D114 WeakPolarHBondContact CD-OD2 3.47Å; R112-D114 WeakPolarHBondContact CG-OD1 3.05Å; R112-D114 PolarHBondContact O-N 2.03Å; D114-S116 VanDerWaalsContact C-N 3.27Å; D114-S116 VanDerWaalsContact CG-OG 3.31Å; D114-S116 PolarHBondContact O-N 3.04Å; D114-S116 VanDerWaalsContact OD1-CB 3.26Å; D114-S116 WeakPolarHBondContact OD1-CB 3.33Å; D114-S116 PolarHBondContact OD1-N 3.46Å; D114-S116 PolarHBondContact OD1-OG 3.32Å; D114-S116 PolarHBondContact OD2-OG 2.79Å
115	G	57.4	Low	56.6	Low	54 Å²	54	82.6 Å²	82.6	56%	0.557	44%	0.444	S	S	*	.	S	Bend	trans	78.9	4.6	-177.3	0	0	0	0	0	114.2	R112 G113	R112-G115 PolarHBondContact O-N 3.1Å; G113-G115 PolarHBondContact O-N 3.02Å
116	S	63.4	Low	56.4	Low	50 Å²	50	79.3 Å²	79.3	35%	0.35	43%	0.432	S	S	.	.			trans	-80.9	138.7	173.9	70.7	0	0	0	0	111.3	R112 D114	R112-S116 PolarHBondContact N-O 2.76Å; D114-S116 VanDerWaalsContact C-N 3.27Å; D114-S116 VanDerWaalsContact CG-OG 3.31Å; D114-S116 PolarHBondContact O-N 3.04Å; D114-S116 VanDerWaalsContact OD1-CB 3.26Å; D114-S116 WeakPolarHBondContact OD1-CB 3.33Å; D114-S116 PolarHBondContact OD1-N 3.46Å; D114-S116 PolarHBondContact OD1-OG 3.32Å; D114-S116 PolarHBondContact OD2-OG 2.79Å
117	R	62.4	Low	56.3	Low	138 Å²	138	82 Å²	82	52%	0.521	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126.3	-178.8	-67.5	179.8	176.1	-169.3	-6.2	110.8	T109 E111	T109-R117 HydrophobicContact CG2-CB 4.48Å; E111-R117 HydrophobicContact CB-CG 4.43Å; E111-R117 HydrophobicContact CG-CG 3.96Å; E111-R117 IonicContact OE1-CZ 3.26Å; E111-R117 VanDerWaalsContact OE1-CZ 3.26Å; E111-R117 IonicContact OE1-NE 2.76Å; E111-R117 PolarHBondContact OE1-NE 2.89Å; E111-R117 IonicContact OE1-NH2 2.85Å; E111-R117 PolarHBondContact OE1-NH2 3.09Å; E111-R117 IonicContact OE2-NH2 3.68Å
118	I	66.7	Low	56	Low	90 Å²	90	83.1 Å²	83.1	46%	0.462	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	109.9	169.7	-58.9	173.9	0	0	0	107.5	T109 V110 I120	T109-I118 WeakPolarHBondContact CA-O 3.22Å; V110-I118 HydrophobicContact CB-CB 4.4Å; V110-I118 PolarHBondContact N-O 2.86Å; V110-I118 PolarHBondContact O-N 2.79Å; I118-I120 HydrophobicContact CG2-CG1 4.49Å
119	N	60.5	Low	56	Low	65 Å²	65	87.3 Å²	87.3	35%	0.348	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.5	175.2	-66.8	-27	0	0	0	109.4	A106 T109 F121	A106-N119 HydrophobicContact CB-CB 4.18Å; T109-N119 WeakPolarHBondContact CB-OD1 3.48Å; T109-N119 WeakPolarHBondContact CG2-OD1 3.24Å; T109-N119 PolarHBondContact OG1-OD1 3.27Å; N119-F121 HydrophobicContact CB-CD2 4.22Å; N119-F121 HydrophobicContact CB-CE1 4.36Å; N119-F121 HydrophobicContact CB-CE2 3.39Å; N119-F121 HydrophobicContact CB-CZ 3.47Å; N119-F121 VanDerWaalsContact CB-CZ 3.47Å
120	I	64.6	Low	55.8	Low	92 Å²	92	90.3 Å²	90.3	47%	0.472	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	111.2	174.5	-56.7	177.4	0	0	0	107.8	L107 V108 I118	L107-I120 PolarHBondContact N-O 2.62Å; V108-I120 PolarHBondContact O-N 2.7Å; I118-I120 HydrophobicContact CG2-CG1 4.49Å
121	F	57.5	Low	55.7	Low	107 Å²	107	91.9 Å²	91.9	47%	0.469	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	146.4	175.7	-56.5	-85.4	0	0	0	110.2	A104 A106 N119	A104-F121 WeakPolarHBondContact O-CD1 3.38Å; A104-F121 WeakPolarHBondContact O-CE1 3.05Å; A106-F121 HydrophobicContact CB-CD1 3.96Å; A106-F121 HydrophobicContact CB-CE1 3.64Å; A106-F121 HydrophobicContact CB-CZ 4.22Å; N119-F121 HydrophobicContact CB-CD2 4.22Å; N119-F121 HydrophobicContact CB-CE1 4.36Å; N119-F121 HydrophobicContact CB-CE2 3.39Å; N119-F121 HydrophobicContact CB-CZ 3.47Å; N119-F121 VanDerWaalsContact CB-CZ 3.47Å
122	I	55.4	Low	55.9	Low	99 Å²	99	92.6 Å²	92.6	51%	0.508	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-73.5	128.8	160.4	-63.1	179	0	0	0	106.5	L107 P124 C126	L107-I122 HydrophobicContact CD1-CD1 3.51Å; L107-I122 HydrophobicContact CD1-CG1 3.97Å; L107-I122 HydrophobicContact CD2-CD1 4.09Å; L107-I122 HydrophobicContact CD2-CG1 4.23Å; L107-I122 HydrophobicContact CG-CD1 4.37Å; L107-I122 HydrophobicContact CG-CG1 4.5Å; I122-P124 WeakPolarHBondContact O-CD 3.02Å; I122-P124 VanDerWaalsContact O-N 3.15Å; I122-C126 HydrophobicContact CG2-CB 4.26Å
123	D	48.3	Very low	55.8	Low	91 Å²	91	89.4 Å²	89.4	49%	0.487	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-50.9	119.7	176.1	-177	-7.5	0	0	0	109.7	N125 C126	D123-N125 PolarHBondContact O-N 2.93Å; D123-N125 WeakPolarHBondContact OD1-CB 3.37Å; D123-N125 PolarHBondContact OD1-N 2.87Å; D123-N125 PolarHBondContact OD1-ND2 3.11Å; D123-C126 WeakPolarHBondContact O-CB 3.34Å; D123-C126 PolarHBondContact O-N 2.79Å
124	P	50.6	Low	56.3	Low	122 Å²	122	94.4 Å²	94.4	79%	0.792	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-10.6	178.9	24.2	-32.1	0	0	0	113.4	I122	I122-P124 WeakPolarHBondContact O-CD 3.02Å; I122-P124 VanDerWaalsContact O-N 3.15Å
125	N	47.2	Very low	56.9	Low	132 Å²	132	98.8 Å²	98.8	71%	0.706	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	4.1	170.1	-63.3	-53.4	0	0	0	113.9	D123 P127	D123-N125 PolarHBondContact O-N 2.93Å; D123-N125 WeakPolarHBondContact OD1-CB 3.37Å; D123-N125 PolarHBondContact OD1-N 2.87Å; D123-N125 PolarHBondContact OD1-ND2 3.11Å; N125-P127 WeakPolarHBondContact O-CD 3.29Å; N125-P127 VanDerWaalsContact O-N 3.12Å
126	C	49	Very low	57	Low	84 Å²	84	101 Å²	101	57%	0.568	52%	0.517	S	S	*	.	S	Bend	trans	-62.4	114.8	171	-115.5	0	0	0	0	108.6	I122 D123 D128	I122-C126 HydrophobicContact CG2-CB 4.26Å; D123-C126 WeakPolarHBondContact O-CB 3.34Å; D123-C126 PolarHBondContact O-N 2.79Å; C126-D128 PolarHBondContact O-N 3.34Å
127	P	50.9	Low	56.8	Low	69 Å²	69	102.8 Å²	102.8	45%	0.448	52%	0.52	S	S	.	.			trans	-69	124.7	-172.4	-16.1	30.7	0	0	0	109.6	N125 Y129	N125-P127 WeakPolarHBondContact O-CD 3.29Å; N125-P127 VanDerWaalsContact O-N 3.12Å; P127-Y129 VanDerWaalsContact C-N 3.33Å; P127-Y129 HydrophobicContact CB-CD2 4.07Å; P127-Y129 HydrophobicContact CB-CE1 4.04Å; P127-Y129 HydrophobicContact CB-CE2 3.59Å; P127-Y129 HydrophobicContact CG-CE2 3.8Å; P127-Y129 WeakPolarHBondContact CG-OH 3.36Å; P127-Y129 WeakPolarHBondContact O-CD2 3.41Å; P127-Y129 WeakPolarHBondContact O-CE2 3.4Å; P127-Y129 PolarHBondContact O-N 2.83Å
128	D	52	Low	57	Low	110 Å²	110	97.8 Å²	97.8	59%	0.588	51%	0.512	S	S	*	.			trans	-72.3	91.5	169.6	-177	5.7	0	0	0	109.1	C126 N130 S131	C126-D128 PolarHBondContact O-N 3.34Å; D128-N130 PolarHBondContact O-N 3.06Å; D128-N130 VanDerWaalsContact OD1-CB 3.28Å; D128-N130 WeakPolarHBondContact OD1-CB 3.08Å; D128-N130 PolarHBondContact OD1-N 2.68Å; D128-N130 VanDerWaalsContact OD1-N 3.12Å; D128-N130 PolarHBondContact OD1-ND2 2.99Å; D128-S131 PolarHBondContact O-OG 2.97Å
129	Y	54.3	Low	57	Low	133 Å²	133	97.8 Å²	97.8	52%	0.522	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-0.6	-178.9	-67.6	-79.1	0	0	0	113.6	P127 S131 N132 F133	P127-Y129 VanDerWaalsContact C-N 3.33Å; P127-Y129 HydrophobicContact CB-CD2 4.07Å; P127-Y129 HydrophobicContact CB-CE1 4.04Å; P127-Y129 HydrophobicContact CB-CE2 3.59Å; P127-Y129 HydrophobicContact CG-CE2 3.8Å; P127-Y129 WeakPolarHBondContact CG-OH 3.36Å; P127-Y129 WeakPolarHBondContact O-CD2 3.41Å; P127-Y129 WeakPolarHBondContact O-CE2 3.4Å; P127-Y129 PolarHBondContact O-N 2.83Å; Y129-S131 VanDerWaalsContact C-N 3.27Å; Y129-S131 PolarHBondContact O-N 3.12Å; Y129-N132 HydrophobicContact CD1-CB 4.21Å; Y129-N132 WeakPolarHBondContact CD1-ND2 3.3Å; Y129-N132 PolarHBondContact O-N 2.59Å; Y129-N132 VanDerWaalsContact O-N 3.08Å; Y129-F133 WeakPolarHBondContact O-CD2 3.42Å; Y129-F133 PolarHBondContact O-N 3.07Å
130	N	57.3	Low	57.1	Low	81 Å²	81	97.4 Å²	97.4	43%	0.433	51%	0.512	S	S	.	.	H	α-helix	trans	-56.1	-44	175.6	-88.3	-28.6	0	0	0	111.8	D128 N132 F133 M134	D128-N130 PolarHBondContact O-N 3.06Å; D128-N130 VanDerWaalsContact OD1-CB 3.28Å; D128-N130 WeakPolarHBondContact OD1-CB 3.08Å; D128-N130 PolarHBondContact OD1-N 2.68Å; D128-N130 VanDerWaalsContact OD1-N 3.12Å; D128-N130 PolarHBondContact OD1-ND2 2.99Å; N130-N132 VanDerWaalsContact C-N 3.31Å; N130-N132 PolarHBondContact O-N 2.71Å; N130-F133 PolarHBondContact O-N 3.03Å; N130-M134 VanDerWaalsContact O-CG 3.29Å; N130-M134 WeakPolarHBondContact O-CG 3.33Å; N130-M134 PolarHBondContact O-N 2.89Å
131	S	57.2	Low	57.1	Low	75 Å²	75	97.2 Å²	97.2	52%	0.524	52%	0.515	S	S	.	.	H	α-helix	trans	-65.2	-37	178.1	64.2	0	0	0	0	111.9	D128 Y129 R135	D128-S131 PolarHBondContact O-OG 2.97Å; Y129-S131 VanDerWaalsContact C-N 3.27Å; Y129-S131 PolarHBondContact O-N 3.12Å; S131-R135 VanDerWaalsContact O-CB 3.26Å; S131-R135 WeakPolarHBondContact O-CB 3.36Å; S131-R135 PolarHBondContact O-N 3.38Å
132	N	59.8	Low	57.6	Low	78 Å²	78	96 Å²	96	42%	0.417	52%	0.52	S	S	.	.	H	α-helix	trans	-70.9	-38.6	178.8	-68.6	-31.8	0	0	0	112	Y129 N130 R135 L136	Y129-N132 HydrophobicContact CD1-CB 4.21Å; Y129-N132 WeakPolarHBondContact CD1-ND2 3.3Å; Y129-N132 PolarHBondContact O-N 2.59Å; Y129-N132 VanDerWaalsContact O-N 3.08Å; N130-N132 VanDerWaalsContact C-N 3.31Å; N130-N132 PolarHBondContact O-N 2.71Å; N132-R135 PolarHBondContact O-N 3.4Å; N132-L136 WeakPolarHBondContact O-CB 3.2Å; N132-L136 PolarHBondContact O-N 2.79Å
133	F	57.5	Low	58	Low	85 Å²	85	95.1 Å²	95.1	37%	0.373	52%	0.516	S	S	.	.	H	α-helix	trans	-67	-44.7	174.8	-95.6	-83.8	0	0	0	112.1	Y129 N130 R135 L136 E137 L182	Y129-F133 WeakPolarHBondContact O-CD2 3.42Å; Y129-F133 PolarHBondContact O-N 3.07Å; N130-F133 PolarHBondContact O-N 3.03Å; F133-R135 VanDerWaalsContact C-N 3.28Å; F133-R135 PolarHBondContact O-N 3.4Å; F133-L136 WeakPolarHBondContact O-CB 3.26Å; F133-L136 PolarHBondContact O-N 2.78Å; F133-E137 WeakPolarHBondContact O-CB 3.34Å; F133-E137 PolarHBondContact O-N 3.44Å; F133-L182 HydrophobicContact CZ-CD2 4.47Å
134	M	59.3	Low	58.6	Low	128 Å²	128	95.4 Å²	95.4	63%	0.631	52%	0.517	S	S	*	.	H	α-helix	trans	-62.3	-36.9	175.3	-70	-69.6	-70.1	0	0	111.8	N130 E137 G138	N130-M134 VanDerWaalsContact O-CG 3.29Å; N130-M134 WeakPolarHBondContact O-CG 3.33Å; N130-M134 PolarHBondContact O-N 2.89Å; M134-E137 PolarHBondContact O-N 3.39Å; M134-G138 PolarHBondContact O-N 3.12Å
135	R	63.2	Low	59.3	Low	191 Å²	191	96.1 Å²	96.1	72%	0.721	51%	0.509	S	S	*	.	H	α-helix	trans	-71.6	-37.1	176.7	-157.4	173.7	-175.5	179.5	1	111.9	S131 N132 F133 E137 G138 V139	S131-R135 VanDerWaalsContact O-CB 3.26Å; S131-R135 WeakPolarHBondContact O-CB 3.36Å; S131-R135 PolarHBondContact O-N 3.38Å; N132-R135 PolarHBondContact O-N 3.4Å; F133-R135 VanDerWaalsContact C-N 3.28Å; F133-R135 PolarHBondContact O-N 3.4Å; R135-E137 VanDerWaalsContact C-N 3.34Å; R135-G138 PolarHBondContact O-N 3.37Å; R135-V139 VanDerWaalsContact O-CG2 3.31Å; R135-V139 WeakPolarHBondContact O-CG2 3.07Å; R135-V139 PolarHBondContact O-N 3.11Å
136	L	60.1	Low	60	Low	101 Å²	101	92.9 Å²	92.9	53%	0.529	50%	0.497	S	S	.	.	H	α-helix	trans	-63.7	-40.4	172	-156.9	88.9	0	0	0	111.1	N132 F133 V139 Q140	N132-L136 WeakPolarHBondContact O-CB 3.2Å; N132-L136 PolarHBondContact O-N 2.79Å; F133-L136 WeakPolarHBondContact O-CB 3.26Å; F133-L136 PolarHBondContact O-N 2.78Å; L136-V139 PolarHBondContact O-N 2.86Å; L136-Q140 VanDerWaalsContact O-CB 3.23Å; L136-Q140 WeakPolarHBondContact O-CB 3.47Å; L136-Q140 PolarHBondContact O-N 3.19Å
137	E	59.7	Low	60.5	Low	87 Å²	87	92 Å²	92	41%	0.407	49%	0.487	S	S	.	.	H	α-helix	trans	-66.3	-39.4	178.2	-163.4	169.6	-151.1	0	0	111.6	F133 M134 R135 Q140 T141	F133-E137 WeakPolarHBondContact O-CB 3.34Å; F133-E137 PolarHBondContact O-N 3.44Å; M134-E137 PolarHBondContact O-N 3.39Å; R135-E137 VanDerWaalsContact C-N 3.34Å; E137-Q140 PolarHBondContact O-N 3.06Å; E137-T141 PolarHBondContact O-N 3.11Å; E137-T141 PolarHBondContact O-OG1 3.44Å
138	G	65.7	Low	61	Low	33 Å²	33	93.2 Å²	93.2	34%	0.34	49%	0.493	S	S	.	.	H	α-helix	trans	-66.8	-38.9	172.7	0	0	0	0	0	113.7	M134 R135 T141 S142	M134-G138 PolarHBondContact O-N 3.12Å; R135-G138 PolarHBondContact O-N 3.37Å; G138-T141 WeakPolarHBondContact CA-OG1 3.28Å; G138-T141 PolarHBondContact O-OG1 3.21Å; G138-S142 VanDerWaalsContact O-CB 3.3Å; G138-S142 WeakPolarHBondContact O-CB 3.3Å; G138-S142 PolarHBondContact O-N 3.17Å; G138-S142 VanDerWaalsContact O-N 3.08Å; G138-S142 PolarHBondContact O-OG 2.97Å
139	V	67.4	Low	61.4	Low	91 Å²	91	93.6 Å²	93.6	55%	0.552	49%	0.494	S	S	*	.	H	α-helix	trans	-68.6	-41.8	173.4	171.9	0	0	0	0	110.4	R135 L136 S142 L143	R135-V139 VanDerWaalsContact O-CG2 3.31Å; R135-V139 WeakPolarHBondContact O-CG2 3.07Å; R135-V139 PolarHBondContact O-N 3.11Å; L136-V139 PolarHBondContact O-N 2.86Å; V139-S142 PolarHBondContact O-N 3.19Å; V139-L143 WeakPolarHBondContact O-CB 3.33Å; V139-L143 PolarHBondContact O-N 3.36Å
140	Q	62.6	Low	61.6	Low	57 Å²	57	91.8 Å²	91.8	27%	0.266	49%	0.491	S	S	.	.	H	α-helix	trans	-61.7	-50.3	178	-177.2	-171.5	-32.2	0	0	111.3	L136 E137 S142 L143 L144 S176	L136-Q140 VanDerWaalsContact O-CB 3.23Å; L136-Q140 WeakPolarHBondContact O-CB 3.47Å; L136-Q140 PolarHBondContact O-N 3.19Å; E137-Q140 PolarHBondContact O-N 3.06Å; Q140-S142 VanDerWaalsContact C-N 3.32Å; Q140-S142 PolarHBondContact O-N 3.32Å; Q140-L143 PolarHBondContact O-N 2.86Å; Q140-L144 HydrophobicContact CG-CD1 4.39Å; Q140-L144 WeakPolarHBondContact O-CB 3.18Å; Q140-L144 PolarHBondContact O-N 2.83Å; Q140-S176 VanDerWaalsContact CD-OG 3.28Å; Q140-S176 PolarHBondContact NE2-OG 3.29Å; Q140-S176 PolarHBondContact OE1-OG 2.99Å
141	T	64.8	Low	61.6	Low	87 Å²	87	92 Å²	92	53%	0.534	49%	0.492	S	S	.	.	H	α-helix	trans	-61.7	-41.3	177.6	31	0	0	0	0	111.3	E137 G138 L143 H145	E137-T141 PolarHBondContact O-N 3.11Å; E137-T141 PolarHBondContact O-OG1 3.44Å; G138-T141 WeakPolarHBondContact CA-OG1 3.28Å; G138-T141 PolarHBondContact O-OG1 3.21Å; T141-L143 PolarHBondContact O-N 2.98Å; T141-H145 WeakPolarHBondContact O-CB 3.5Å; T141-H145 PolarHBondContact O-N 3.2Å
142	S	68	Low	61.5	Low	81 Å²	81	92.4 Å²	92.4	57%	0.566	49%	0.494	S	S	*	.	H	α-helix	trans	-65	-38.4	176.2	-58.9	0	0	0	0	112.8	G138 V139 Q140 S146	G138-S142 VanDerWaalsContact O-CB 3.3Å; G138-S142 WeakPolarHBondContact O-CB 3.3Å; G138-S142 PolarHBondContact O-N 3.17Å; G138-S142 VanDerWaalsContact O-N 3.08Å; G138-S142 PolarHBondContact O-OG 2.97Å; V139-S142 PolarHBondContact O-N 3.19Å; Q140-S142 VanDerWaalsContact C-N 3.32Å; Q140-S142 PolarHBondContact O-N 3.32Å; S142-S146 WeakPolarHBondContact O-CB 3.27Å; S142-S146 PolarHBondContact O-N 2.96Å
143	L	62.9	Low	61.2	Low	82 Å²	82	93.6 Å²	93.6	43%	0.429	50%	0.501	S	S	.	.	H	α-helix	trans	-70.6	-43.1	178.6	-150.7	100.6	0	0	0	111.5	V139 Q140 T141 H145 S146 L147 V172	V139-L143 WeakPolarHBondContact O-CB 3.33Å; V139-L143 PolarHBondContact O-N 3.36Å; Q140-L143 PolarHBondContact O-N 2.86Å; T141-L143 PolarHBondContact O-N 2.98Å; L143-H145 VanDerWaalsContact C-N 3.34Å; L143-S146 PolarHBondContact O-N 3.15Å; L143-L147 HydrophobicContact CD2-CD1 4.05Å; L143-L147 HydrophobicContact CG-CD1 4.4Å; L143-L147 WeakPolarHBondContact O-CB 3.23Å; L143-L147 VanDerWaalsContact O-CG 3.3Å; L143-L147 WeakPolarHBondContact O-CG 3.46Å; L143-L147 PolarHBondContact O-N 2.93Å; L143-V172 HydrophobicContact CD2-CG1 4.38Å
144	L	61.6	Low	61	Low	96 Å²	96	91.4 Å²	91.4	50%	0.503	49%	0.493	S	S	.	.	H	α-helix	trans	-63.2	-41.8	175.5	-122.1	140.4	0	0	0	110.7	Q140 T148	Q140-L144 HydrophobicContact CG-CD1 4.39Å; Q140-L144 WeakPolarHBondContact O-CB 3.18Å; Q140-L144 PolarHBondContact O-N 2.83Å; L144-T148 WeakPolarHBondContact O-CB 3.36Å; L144-T148 PolarHBondContact O-N 2.93Å; L144-T148 PolarHBondContact O-OG1 2.96Å
145	H	64.7	Low	60.8	Low	137 Å²	137	92 Å²	92	63%	0.634	49%	0.492	S	S	*	.	H	α-helix	trans	-64.1	-44.6	175.9	-136.7	-69.7	0	0	0	111.3	T141 L143 T148 D149	T141-H145 WeakPolarHBondContact O-CB 3.5Å; T141-H145 PolarHBondContact O-N 3.2Å; L143-H145 VanDerWaalsContact C-N 3.34Å; H145-T148 PolarHBondContact O-N 3.07Å; H145-D149 WeakPolarHBondContact O-CB 3.2Å; H145-D149 PolarHBondContact O-N 2.98Å
146	S	62.5	Low	60.4	Low	65 Å²	65	87.8 Å²	87.8	46%	0.455	49%	0.492	S	S	.	.	H	α-helix	trans	-64.4	-41.2	178.7	-168.3	0	0	0	0	112.8	S142 L143 T148 D149 H150	S142-S146 WeakPolarHBondContact O-CB 3.27Å; S142-S146 PolarHBondContact O-N 2.96Å; L143-S146 PolarHBondContact O-N 3.15Å; S146-T148 VanDerWaalsContact C-N 3.35Å; S146-D149 PolarHBondContact O-N 3.16Å; S146-H150 WeakPolarHBondContact O-CB 3.34Å; S146-H150 PolarHBondContact O-N 2.81Å; S146-H150 PolarHBondContact O-ND1 3.34Å; S146-H150 VanDerWaalsContact O-ND1 3.16Å
147	L	58.4	Low	60.5	Low	66 Å²	66	85.6 Å²	85.6	35%	0.346	48%	0.482	S	S	.	.	H	α-helix	trans	-67.1	-34	175	-75.1	166.6	0	0	0	112.5	L143 D151	L143-L147 HydrophobicContact CD2-CD1 4.05Å; L143-L147 HydrophobicContact CG-CD1 4.4Å; L143-L147 WeakPolarHBondContact O-CB 3.23Å; L143-L147 VanDerWaalsContact O-CG 3.3Å; L143-L147 WeakPolarHBondContact O-CG 3.46Å; L143-L147 PolarHBondContact O-N 2.93Å; L147-D151 PolarHBondContact O-N 3.06Å
148	T	61.8	Low	60.8	Low	94 Å²	94	90.8 Å²	90.8	58%	0.577	50%	0.504	S	S	*	.	H	α-helix	trans	-76.1	-37	177.6	-49.7	0	0	0	0	111.5	L144 H145 S146 D151	L144-T148 WeakPolarHBondContact O-CB 3.36Å; L144-T148 PolarHBondContact O-N 2.93Å; L144-T148 PolarHBondContact O-OG1 2.96Å; H145-T148 PolarHBondContact O-N 3.07Å; S146-T148 VanDerWaalsContact C-N 3.35Å; T148-D151 WeakPolarHBondContact O-CB 3.21Å; T148-D151 PolarHBondContact O-N 2.98Å
149	D	61.1	Low	60.9	Low	117 Å²	117	91.9 Å²	91.9	63%	0.626	52%	0.515	S	S	*	.	H	α-helix	trans	-68.7	-36.8	176.9	-131.6	27.3	0	0	0	111.5	H145 S146 D151	H145-D149 WeakPolarHBondContact O-CB 3.2Å; H145-D149 PolarHBondContact O-N 2.98Å; S146-D149 PolarHBondContact O-N 3.16Å; D149-D151 VanDerWaalsContact C-N 3.32Å; D149-D151 PolarHBondContact O-N 3.47Å
150	H	58.6	Low	60.8	Low	96 Å²	96	95.2 Å²	95.2	44%	0.444	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	3.3	176.5	-75	63.8	0	0	0	114.1	S146 S152 D153 L154	S146-H150 WeakPolarHBondContact O-CB 3.34Å; S146-H150 PolarHBondContact O-N 2.81Å; S146-H150 PolarHBondContact O-ND1 3.34Å; S146-H150 VanDerWaalsContact O-ND1 3.16Å; H150-S152 PolarHBondContact O-N 2.72Å; H150-D153 PolarHBondContact O-N 2.93Å; H150-D153 VanDerWaalsContact O-N 3.07Å; H150-L154 WeakPolarHBondContact O-CB 3.26Å; H150-L154 WeakPolarHBondContact O-CD1 3Å; H150-L154 WeakPolarHBondContact O-CG 3.41Å; H150-L154 PolarHBondContact O-N 2.88Å
151	D	56.1	Low	60.9	Low	85 Å²	85	97.2 Å²	97.2	46%	0.455	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-30	175.1	-177.8	72.6	0	0	0	112.2	L147 T148 D149 K155	L147-D151 PolarHBondContact O-N 3.06Å; T148-D151 WeakPolarHBondContact O-CB 3.21Å; T148-D151 PolarHBondContact O-N 2.98Å; D149-D151 VanDerWaalsContact C-N 3.32Å; D149-D151 PolarHBondContact O-N 3.47Å; D151-K155 IonicContact OD2-NZ 2.72Å; D151-K155 PolarHBondContact OD2-NZ 3.25Å
152	S	55	Low	61.1	Low	83 Å²	83	98.8 Å²	98.8	58%	0.58	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-37.2	175.4	64.3	0	0	0	0	113	H150	H150-S152 PolarHBondContact O-N 2.72Å
153	D	55.1	Low	61.2	Low	104 Å²	104	98 Å²	98	56%	0.556	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-79	-28.9	176	-79.4	-21.5	0	0	0	112.9	H150 K155 S156	H150-D153 PolarHBondContact O-N 2.93Å; H150-D153 VanDerWaalsContact O-N 3.07Å; D153-K155 PolarHBondContact O-N 2.84Å; D153-S156 VanDerWaalsContact O-CB 3.24Å; D153-S156 WeakPolarHBondContact O-CB 3.31Å; D153-S156 PolarHBondContact O-N 2.96Å
154	L	53.1	Low	61.7	Low	38 Å²	38	99.7 Å²	99.7	20%	0.199	54%	0.541	C	S	.	.	G	3₁₀ helix	trans	-64.5	-16.4	175.2	-89.1	155	0	0	0	113.9	H150 S156 L165	H150-L154 WeakPolarHBondContact O-CB 3.26Å; H150-L154 WeakPolarHBondContact O-CD1 3Å; H150-L154 WeakPolarHBondContact O-CG 3.41Å; H150-L154 PolarHBondContact O-N 2.88Å; L154-S156 VanDerWaalsContact C-N 3.28Å; L154-L165 HydrophobicContact CD2-CB 4.4Å; L154-L165 HydrophobicContact CD2-CD1 3.66Å
155	K	54.8	Low	62.1	Low	142 Å²	142	98.4 Å²	98.4	62%	0.617	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-76.4	-14.9	172.7	-71.7	170.9	-173.3	158.4	0	113.1	D151 D153	D151-K155 IonicContact OD2-NZ 2.72Å; D151-K155 PolarHBondContact OD2-NZ 3.25Å; D153-K155 PolarHBondContact O-N 2.84Å
156	S	55.1	Low	62.5	Low	102 Å²	102	96.2 Å²	96.2	71%	0.713	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-26.3	177.6	-175.8	0	0	0	0	113.2	D153 L154	D153-S156 VanDerWaalsContact O-CB 3.24Å; D153-S156 WeakPolarHBondContact O-CB 3.31Å; D153-S156 PolarHBondContact O-N 2.96Å; L154-S156 VanDerWaalsContact C-N 3.28Å
157	V	61.2	Low	63.1	Low	55 Å²	55	96.2 Å²	96.2	33%	0.333	53%	0.53	S	S	.	.			trans	-83.5	120.2	-175.8	-173.9	0	0	0	0	110.6	D161	V157-D161 HydrophobicContact CG1-CB 4.1Å
158	K	65.3	Low	64	Low	196 Å²	196	98.2 Å²	98.2	85%	0.852	54%	0.54	S	S	*	.			trans	-104.8	138.5	178	-72.4	-176.2	179	177.7	0	111.4
159	G	69.6	Low	64.6	Low	56 Å²	56	95.9 Å²	95.9	58%	0.577	53%	0.53	S	S	*	.	S	Bend	trans	98.1	-147.9	167.7	0	0	0	0	0	115.1	D161 R162	G159-D161 VanDerWaalsContact C-N 3.29Å; G159-D161 PolarHBondContact O-N 2.9Å; G159-R162 PolarHBondContact O-N 2.96Å
160	Q	65.1	Low	65.3	Low	161 Å²	161	96.9 Å²	96.9	75%	0.752	53%	0.531	S	S	*	.	H	α-helix	trans	-55.8	-36.3	-167.7	-152	112.1	-2.1	0	0	113.9	R162 A163 L164	Q160-R162 VanDerWaalsContact C-N 3.32Å; Q160-R162 PolarHBondContact O-N 2.71Å; Q160-A163 PolarHBondContact O-N 2.72Å; Q160-L164 PolarHBondContact O-N 2.92Å; Q160-L164 VanDerWaalsContact O-N 3.15Å
161	D	65.1	Low	66.2	Low	99 Å²	99	97.7 Å²	97.7	53%	0.529	54%	0.535	S	S	.	.	H	α-helix	trans	-68.1	-31.3	-177.1	-61.2	-30.7	0	0	0	112.7	V157 G159 L164 L165	V157-D161 HydrophobicContact CG1-CB 4.1Å; G159-D161 VanDerWaalsContact C-N 3.29Å; G159-D161 PolarHBondContact O-N 2.9Å; D161-L164 PolarHBondContact O-N 2.91Å; D161-L165 WeakPolarHBondContact O-CG 3.41Å; D161-L165 PolarHBondContact O-N 2.83Å; D161-L165 VanDerWaalsContact O-N 3.09Å
162	R	68.9	Low	67.2	Low	119 Å²	119	96 Å²	96	45%	0.449	53%	0.528	S	S	.	.	H	α-helix	trans	-70.4	-36.3	175.5	-173.8	173.1	173.9	177.7	-0.9	111.7	G159 Q160 L165 V166	G159-R162 PolarHBondContact O-N 2.96Å; Q160-R162 VanDerWaalsContact C-N 3.32Å; Q160-R162 PolarHBondContact O-N 2.71Å; R162-L165 PolarHBondContact O-N 2.9Å; R162-V166 VanDerWaalsContact O-CG2 3.31Å; R162-V166 WeakPolarHBondContact O-CG2 3.46Å; R162-V166 PolarHBondContact O-N 2.68Å; R162-V166 VanDerWaalsContact O-N 3.11Å
163	A	69.1	Low	68.1	Low	66 Å²	66	95 Å²	95	55%	0.545	52%	0.524	S	S	.	.	H	α-helix	trans	-68.4	-39.1	176.8	0	0	0	0	0	111.7	Q160 V166 S167	Q160-A163 PolarHBondContact O-N 2.72Å; A163-V166 PolarHBondContact O-N 2.7Å; A163-S167 WeakPolarHBondContact O-CB 3.3Å; A163-S167 PolarHBondContact O-N 3.01Å
164	L	73.7	Confident	69.1	Low	116 Å²	116	95.6 Å²	95.6	61%	0.607	52%	0.522	S	S	*	.	H	α-helix	trans	-63.7	-41.5	174.8	-72.3	169.4	0	0	0	112.1	Q160 D161 S167 L168	Q160-L164 PolarHBondContact O-N 2.92Å; Q160-L164 VanDerWaalsContact O-N 3.15Å; D161-L164 PolarHBondContact O-N 2.91Å; L164-S167 PolarHBondContact O-N 3.04Å; L164-L168 WeakPolarHBondContact O-CB 3.47Å; L164-L168 PolarHBondContact O-N 3.1Å
165	L	69.9	Low	70.2	Confident	70 Å²	70	99.9 Å²	99.9	37%	0.366	55%	0.545	S	S	.	.	H	α-helix	trans	-67.1	-38.4	178.2	-72.9	167.5	0	0	0	112.6	L154 D161 R162 L168 A169	L154-L165 HydrophobicContact CD2-CB 4.4Å; L154-L165 HydrophobicContact CD2-CD1 3.66Å; D161-L165 WeakPolarHBondContact O-CG 3.41Å; D161-L165 PolarHBondContact O-N 2.83Å; D161-L165 VanDerWaalsContact O-N 3.09Å; R162-L165 PolarHBondContact O-N 2.9Å; L165-L168 PolarHBondContact O-N 2.95Å; L165-A169 WeakPolarHBondContact O-CB 3.28Å; L165-A169 PolarHBondContact O-N 3.41Å
166	V	73.4	Confident	71	Confident	91 Å²	91	94.7 Å²	94.7	55%	0.552	53%	0.526	S	S	*	.	H	α-helix	trans	-66	-43.9	174.6	172.1	0	0	0	0	111.1	R162 A163 L168 A169 E170	R162-V166 VanDerWaalsContact O-CG2 3.31Å; R162-V166 WeakPolarHBondContact O-CG2 3.46Å; R162-V166 PolarHBondContact O-N 2.68Å; R162-V166 VanDerWaalsContact O-N 3.11Å; A163-V166 PolarHBondContact O-N 2.7Å; V166-L168 VanDerWaalsContact C-N 3.35Å; V166-L168 PolarHBondContact O-N 3.04Å; V166-A169 PolarHBondContact O-N 2.8Å; V166-E170 PolarHBondContact O-N 2.97Å
167	S	75.8	Confident	71.9	Confident	64 Å²	64	92.9 Å²	92.9	45%	0.448	52%	0.517	S	S	.	.	H	α-helix	trans	-63.7	-39.2	176.9	177.6	0	0	0	0	112.3	A163 L164 E170 E171	A163-S167 WeakPolarHBondContact O-CB 3.3Å; A163-S167 PolarHBondContact O-N 3.01Å; L164-S167 PolarHBondContact O-N 3.04Å; S167-E170 PolarHBondContact O-N 2.99Å; S167-E171 PolarHBondContact O-N 3.29Å
168	L	77.3	Confident	72.5	Confident	109 Å²	109	96.1 Å²	96.1	57%	0.571	53%	0.529	S	S	*	.	H	α-helix	trans	-65.5	-40.9	175.4	-175.8	63.8	0	0	0	111.7	L164 L165 V166 E170 E171 V172	L164-L168 WeakPolarHBondContact O-CB 3.47Å; L164-L168 PolarHBondContact O-N 3.1Å; L165-L168 PolarHBondContact O-N 2.95Å; V166-L168 VanDerWaalsContact C-N 3.35Å; V166-L168 PolarHBondContact O-N 3.04Å; L168-E170 VanDerWaalsContact C-N 3.32Å; L168-E170 PolarHBondContact O-N 2.92Å; L168-E171 PolarHBondContact O-N 3.36Å; L168-V172 WeakPolarHBondContact O-CB 3.23Å; L168-V172 VanDerWaalsContact O-CG2 3.23Å; L168-V172 WeakPolarHBondContact O-CG2 3.29Å; L168-V172 PolarHBondContact O-N 3.18Å
169	A	74.3	Confident	72.9	Confident	44 Å²	44	88 Å²	88	36%	0.364	50%	0.498	S	S	.	.	H	α-helix	trans	-63.3	-38.3	176	0	0	0	0	0	112.1	L165 V166 V172 A173	L165-A169 WeakPolarHBondContact O-CB 3.28Å; L165-A169 PolarHBondContact O-N 3.41Å; V166-A169 PolarHBondContact O-N 2.8Å; A169-V172 PolarHBondContact O-N 2.93Å; A169-A173 WeakPolarHBondContact O-CB 3.45Å; A169-A173 PolarHBondContact O-N 3.07Å
170	E	75.4	Confident	73.1	Confident	139 Å²	139	87 Å²	87	65%	0.65	49%	0.488	S	S	*	.	H	α-helix	trans	-65.8	-44.8	176.6	-170.5	174.5	-178.1	0	0	112.2	V166 S167 L168 V172 A173 K174	V166-E170 PolarHBondContact O-N 2.97Å; S167-E170 PolarHBondContact O-N 2.99Å; L168-E170 VanDerWaalsContact C-N 3.32Å; L168-E170 PolarHBondContact O-N 2.92Å; E170-V172 PolarHBondContact O-N 3.2Å; E170-A173 PolarHBondContact O-N 3.48Å; E170-K174 PolarHBondContact O-N 3.44Å
171	E	77.5	Confident	73.6	Confident	112 Å²	112	83.7 Å²	83.7	52%	0.523	47%	0.473	S	S	.	.	H	α-helix	trans	-65.5	-37.5	175.9	-76.4	-64.5	168	0	0	112.4	S167 L168 K174 L175	S167-E171 PolarHBondContact O-N 3.29Å; L168-E171 PolarHBondContact O-N 3.36Å; E171-K174 PolarHBondContact O-N 2.96Å; E171-L175 WeakPolarHBondContact O-CB 3.41Å; E171-L175 PolarHBondContact O-N 2.86Å
172	V	76.3	Confident	74	Confident	50 Å²	50	84.1 Å²	84.1	30%	0.303	47%	0.474	S	S	.	.	H	α-helix	trans	-64.5	-40.2	174.3	170.4	0	0	0	0	111.3	L143 L168 A169 E170 L175 S176	L143-V172 HydrophobicContact CD2-CG1 4.38Å; L168-V172 WeakPolarHBondContact O-CB 3.23Å; L168-V172 VanDerWaalsContact O-CG2 3.23Å; L168-V172 WeakPolarHBondContact O-CG2 3.29Å; L168-V172 PolarHBondContact O-N 3.18Å; A169-V172 PolarHBondContact O-N 2.93Å; E170-V172 PolarHBondContact O-N 3.2Å; V172-L175 PolarHBondContact O-N 3.36Å; V172-S176 WeakPolarHBondContact O-CB 3.14Å; V172-S176 PolarHBondContact O-N 2.75Å
173	A	73.8	Confident	74.3	Confident	61 Å²	61	82.6 Å²	82.6	50%	0.504	47%	0.471	S	S	.	.	H	α-helix	trans	-64.2	-41.3	175.9	0	0	0	0	0	111.9	A169 E170 S176 A177	A169-A173 WeakPolarHBondContact O-CB 3.45Å; A169-A173 PolarHBondContact O-N 3.07Å; E170-A173 PolarHBondContact O-N 3.48Å; A173-S176 PolarHBondContact O-N 3.41Å; A173-A177 PolarHBondContact O-N 2.71Å
174	K	77.1	Confident	74.6	Confident	118 Å²	118	84.4 Å²	84.4	51%	0.513	47%	0.469	S	S	.	.	H	α-helix	trans	-65.8	-43.2	177.2	-169.8	178.8	-179.1	-177.3	0	112.3	E170 E171 S176 A177 H178	E170-K174 PolarHBondContact O-N 3.44Å; E171-K174 PolarHBondContact O-N 2.96Å; K174-S176 VanDerWaalsContact C-N 3.31Å; K174-S176 PolarHBondContact O-N 3.47Å; K174-A177 PolarHBondContact O-N 3.21Å; K174-H178 PolarHBondContact O-N 3.17Å; K174-H178 VanDerWaalsContact O-N 3.12Å
175	L	76	Confident	74.6	Confident	127 Å²	127	82.9 Å²	82.9	67%	0.665	46%	0.462	S	S	*	.	H	α-helix	trans	-64.6	-38.1	176.8	-158.5	75.9	0	0	0	111.5	E171 V172 H178 A179	E171-L175 WeakPolarHBondContact O-CB 3.41Å; E171-L175 PolarHBondContact O-N 2.86Å; V172-L175 PolarHBondContact O-N 3.36Å; L175-H178 PolarHBondContact O-N 3.33Å; L175-A179 PolarHBondContact O-N 3.15Å
176	S	72.1	Confident	74.7	Confident	33 Å²	33	85.4 Å²	85.4	23%	0.231	47%	0.467	C	S	.	.	H	α-helix	trans	-64.2	-42.9	174.4	178	0	0	0	0	112.5	Q140 V172 A173 K174 H178 A179 G180	Q140-S176 VanDerWaalsContact CD-OG 3.28Å; Q140-S176 PolarHBondContact NE2-OG 3.29Å; Q140-S176 PolarHBondContact OE1-OG 2.99Å; V172-S176 WeakPolarHBondContact O-CB 3.14Å; V172-S176 PolarHBondContact O-N 2.75Å; A173-S176 PolarHBondContact O-N 3.41Å; K174-S176 VanDerWaalsContact C-N 3.31Å; K174-S176 PolarHBondContact O-N 3.47Å; S176-H178 VanDerWaalsContact C-N 3.33Å; S176-H178 PolarHBondContact O-N 2.69Å; S176-A179 PolarHBondContact O-N 2.86Å; S176-G180 PolarHBondContact O-N 3.37Å
177	A	74.3	Confident	74.7	Confident	64 Å²	64	85.7 Å²	85.7	53%	0.529	46%	0.463	S	S	.	.	H	α-helix	trans	-60.6	-42.7	176.9	0	0	0	0	0	111.7	A173 K174 G180 Q181	A173-A177 PolarHBondContact O-N 2.71Å; K174-A177 PolarHBondContact O-N 3.21Å; A177-G180 PolarHBondContact O-N 3.43Å; A177-Q181 PolarHBondContact O-N 3.41Å
178	H	73.1	Confident	74.6	Confident	123 Å²	123	85.8 Å²	85.8	57%	0.569	46%	0.463	S	S	*	.	H	α-helix	trans	-64.1	-40.6	174.1	-74.9	166	0	0	0	113	K174 L175 S176 G180 Q181 L182	K174-H178 PolarHBondContact O-N 3.17Å; K174-H178 VanDerWaalsContact O-N 3.12Å; L175-H178 PolarHBondContact O-N 3.33Å; S176-H178 VanDerWaalsContact C-N 3.33Å; S176-H178 PolarHBondContact O-N 2.69Å; H178-G180 VanDerWaalsContact C-N 3.31Å; H178-G180 PolarHBondContact O-N 3.05Å; H178-Q181 PolarHBondContact O-N 3.19Å; H178-L182 PolarHBondContact O-N 3.14Å
179	A	73.8	Confident	74.2	Confident	26 Å²	26	86.8 Å²	86.8	22%	0.215	47%	0.468	C	S	.	.	H	α-helix	trans	-63.3	-38.1	175.6	0	0	0	0	0	111.9	L175 S176 K183	L175-A179 PolarHBondContact O-N 3.15Å; S176-A179 PolarHBondContact O-N 2.86Å; A179-K183 PolarHBondContact O-N 3.49Å; A179-K183 VanDerWaalsContact O-N 3.14Å
180	G	73.6	Confident	74.3	Confident	35 Å²	35	92 Å²	92	36%	0.361	48%	0.478	S	S	.	.	H	α-helix	trans	-63.7	-43.2	173.8	0	0	0	0	0	112.9	S176 A177 H178 K183 M184	S176-G180 PolarHBondContact O-N 3.37Å; A177-G180 PolarHBondContact O-N 3.43Å; H178-G180 VanDerWaalsContact C-N 3.31Å; H178-G180 PolarHBondContact O-N 3.05Å; G180-K183 WeakPolarHBondContact O-CB 2.87Å; G180-K183 PolarHBondContact O-N 2.75Å; G180-M184 PolarHBondContact O-N 2.98Å
181	Q	76.3	Confident	74.2	Confident	92 Å²	92	93.3 Å²	93.3	43%	0.43	48%	0.477	S	S	.	.	H	α-helix	trans	-62.6	-46.7	176.3	-174.9	59.7	44.4	0	0	111.8	A177 H178 K183 M184 D185	A177-Q181 PolarHBondContact O-N 3.41Å; H178-Q181 PolarHBondContact O-N 3.19Å; Q181-K183 PolarHBondContact O-N 3.07Å; Q181-M184 PolarHBondContact O-N 3.28Å; Q181-M184 VanDerWaalsContact O-N 3.1Å; Q181-M184 VanDerWaalsContact OE1-CE 3.23Å; Q181-D185 PolarHBondContact NE2-OD1 3.01Å; Q181-D185 PolarHBondContact O-N 3.32Å
182	L	71.8	Confident	74	Confident	107 Å²	107	89.9 Å²	89.9	56%	0.56	47%	0.473	S	S	*	.	H	α-helix	trans	-61.9	-33	-179.8	-163.3	70.5	0	0	0	112	F133 H178 Y186	F133-L182 HydrophobicContact CZ-CD2 4.47Å; H178-L182 PolarHBondContact O-N 3.14Å; L182-Y186 WeakPolarHBondContact O-CB 3.29Å; L182-Y186 PolarHBondContact O-N 2.97Å
183	K	75.4	Confident	73.7	Confident	87 Å²	87	93.3 Å²	93.3	38%	0.378	49%	0.485	S	S	.	.	H	α-helix	trans	-66	-44.7	173.7	-176.1	178.1	179.9	176.3	0	112	A179 G180 Q181 D185 Y186 E187	A179-K183 PolarHBondContact O-N 3.49Å; A179-K183 VanDerWaalsContact O-N 3.14Å; G180-K183 WeakPolarHBondContact O-CB 2.87Å; G180-K183 PolarHBondContact O-N 2.75Å; Q181-K183 PolarHBondContact O-N 3.07Å; K183-D185 VanDerWaalsContact C-N 3.31Å; K183-D185 PolarHBondContact O-N 3.16Å; K183-Y186 PolarHBondContact O-N 3.25Å; K183-E187 WeakPolarHBondContact O-CG 3.22Å; K183-E187 PolarHBondContact O-N 3.22Å
184	M	75.1	Confident	73.4	Confident	105 Å²	105	94 Å²	94	52%	0.517	49%	0.486	S	S	.	.	H	α-helix	trans	-62.9	-40.1	176.6	-68.8	-165.1	-63.5	0	0	111.8	G180 Q181 E187 S188	G180-M184 PolarHBondContact O-N 2.98Å; Q181-M184 PolarHBondContact O-N 3.28Å; Q181-M184 VanDerWaalsContact O-N 3.1Å; Q181-M184 VanDerWaalsContact OE1-CE 3.23Å; M184-E187 PolarHBondContact O-N 3.32Å; M184-S188 WeakPolarHBondContact O-CB 3.28Å; M184-S188 PolarHBondContact O-N 3.34Å
185	D	74.3	Confident	73.1	Confident	83 Å²	83	91 Å²	91	44%	0.444	48%	0.48	S	S	.	.	H	α-helix	trans	-65.8	-41	177.2	-66	-14.7	0	0	0	111.1	Q181 K183 S188 L189	Q181-D185 PolarHBondContact NE2-OD1 3.01Å; Q181-D185 PolarHBondContact O-N 3.32Å; K183-D185 VanDerWaalsContact C-N 3.31Å; K183-D185 PolarHBondContact O-N 3.16Å; D185-S188 WeakPolarHBondContact O-CB 3.05Å; D185-S188 PolarHBondContact O-N 2.9Å; D185-L189 WeakPolarHBondContact O-CB 3.48Å; D185-L189 PolarHBondContact O-N 3.14Å
186	Y	71.6	Confident	72.7	Confident	124 Å²	124	90.3 Å²	90.3	49%	0.486	48%	0.477	S	S	.	.	H	α-helix	trans	-62.3	-45.2	173.8	175.8	-104.8	0	0	0	112.7	L182 K183 S188 L189 R190	L182-Y186 WeakPolarHBondContact O-CB 3.29Å; L182-Y186 PolarHBondContact O-N 2.97Å; K183-Y186 PolarHBondContact O-N 3.25Å; Y186-S188 VanDerWaalsContact C-N 3.33Å; Y186-S188 PolarHBondContact O-N 3.01Å; Y186-L189 PolarHBondContact O-N 2.99Å; Y186-R190 WeakPolarHBondContact O-CB 3.34Å; Y186-R190 PolarHBondContact O-N 3.32Å
187	E	74.9	Confident	72.7	Confident	97 Å²	97	90.3 Å²	90.3	45%	0.453	48%	0.482	S	S	.	.	H	α-helix	trans	-65.8	-35.5	176.4	-73.6	-178.1	-175.6	0	0	112.3	K183 M184 R191	K183-E187 WeakPolarHBondContact O-CG 3.22Å; K183-E187 PolarHBondContact O-N 3.22Å; M184-E187 PolarHBondContact O-N 3.32Å; E187-R191 WeakPolarHBondContact O-CG 3.15Å; E187-R191 PolarHBondContact O-N 3.35Å; E187-R191 VanDerWaalsContact O-N 3.07Å
188	S	73.4	Confident	72.7	Confident	65 Å²	65	93.6 Å²	93.6	46%	0.455	49%	0.486	S	S	.	.	H	α-helix	trans	-63.2	-47.8	173.1	-167.5	0	0	0	0	111.4	M184 D185 Y186 R190 R191 G192	M184-S188 WeakPolarHBondContact O-CB 3.28Å; M184-S188 PolarHBondContact O-N 3.34Å; D185-S188 WeakPolarHBondContact O-CB 3.05Å; D185-S188 PolarHBondContact O-N 2.9Å; Y186-S188 VanDerWaalsContact C-N 3.33Å; Y186-S188 PolarHBondContact O-N 3.01Å; S188-R190 VanDerWaalsContact C-N 3.34Å; S188-R190 PolarHBondContact O-N 2.81Å; S188-R191 PolarHBondContact O-N 2.99Å; S188-G192 PolarHBondContact O-N 2.86Å
189	L	69.4	Low	72.6	Confident	130 Å²	130	91.7 Å²	91.7	68%	0.681	48%	0.48	S	S	*	.	H	α-helix	trans	-63.2	-40.3	178.6	-169.5	64.6	0	0	0	111.7	D185 Y186 R191 G192 Q193	D185-L189 WeakPolarHBondContact O-CB 3.48Å; D185-L189 PolarHBondContact O-N 3.14Å; Y186-L189 PolarHBondContact O-N 2.99Å; L189-R191 VanDerWaalsContact C-N 3.35Å; L189-R191 PolarHBondContact O-N 3.05Å; L189-G192 PolarHBondContact O-N 2.91Å; L189-Q193 PolarHBondContact O-N 3.14Å
190	R	74.4	Confident	72.3	Confident	153 Å²	153	93.9 Å²	93.9	58%	0.577	49%	0.488	S	S	*	.	H	α-helix	trans	-61.9	-40.4	175.3	-174.6	175.8	178.5	169.3	1.4	112.4	Y186 S188 Q193 S194	Y186-R190 WeakPolarHBondContact O-CB 3.34Å; Y186-R190 PolarHBondContact O-N 3.32Å; S188-R190 VanDerWaalsContact C-N 3.34Å; S188-R190 PolarHBondContact O-N 2.81Å; R190-Q193 PolarHBondContact O-N 3.42Å; R190-S194 PolarHBondContact O-N 2.81Å; R190-S194 VanDerWaalsContact O-N 3.15Å
191	R	74.3	Confident	72.2	Confident	167 Å²	167	96.3 Å²	96.3	63%	0.63	49%	0.493	S	S	*	.	H	α-helix	trans	-64.7	-43.1	173.2	-75	-175.4	-68.5	-177.5	-0.6	111.3	E187 S188 L189 Q193 S194 S195	E187-R191 WeakPolarHBondContact O-CG 3.15Å; E187-R191 PolarHBondContact O-N 3.35Å; E187-R191 VanDerWaalsContact O-N 3.07Å; S188-R191 PolarHBondContact O-N 2.99Å; L189-R191 VanDerWaalsContact C-N 3.35Å; L189-R191 PolarHBondContact O-N 3.05Å; R191-Q193 VanDerWaalsContact C-N 3.33Å; R191-Q193 PolarHBondContact O-N 3.41Å; R191-S194 PolarHBondContact O-N 3.37Å; R191-S194 VanDerWaalsContact O-N 3.17Å; R191-S194 PolarHBondContact O-OG 2.85Å; R191-S195 PolarHBondContact O-N 2.98Å
192	G	73.6	Confident	72.1	Confident	41 Å²	41	95.9 Å²	95.9	42%	0.423	50%	0.496	S	S	.	.	H	α-helix	trans	-57.4	-44	174.3	0	0	0	0	0	112.8	S188 L189 S194 S195 L196	S188-G192 PolarHBondContact O-N 2.86Å; L189-G192 PolarHBondContact O-N 2.91Å; G192-S194 VanDerWaalsContact C-N 3.33Å; G192-S194 PolarHBondContact O-N 3.12Å; G192-S195 WeakPolarHBondContact O-CB 3.4Å; G192-S195 PolarHBondContact O-N 3.23Å; G192-L196 PolarHBondContact O-N 2.8Å
193	Q	70.1	Confident	72.1	Confident	122 Å²	122	96.5 Å²	96.5	57%	0.57	50%	0.5	S	S	*	.	H	α-helix	trans	-61.6	-39.5	176.2	-171.5	179.7	1.8	0	0	112.4	L189 R190 R191 L196 G197	L189-Q193 PolarHBondContact O-N 3.14Å; R190-Q193 PolarHBondContact O-N 3.42Å; R191-Q193 VanDerWaalsContact C-N 3.33Å; R191-Q193 PolarHBondContact O-N 3.41Å; Q193-L196 PolarHBondContact O-N 2.86Å; Q193-G197 PolarHBondContact O-N 2.69Å
194	S	65.9	Low	71.8	Confident	74 Å²	74	95.5 Å²	95.5	52%	0.517	50%	0.496	S	S	.	.	H	α-helix	trans	-67.1	-37.7	176.3	68.5	0	0	0	0	113.1	R190 R191 G192 G197 Q198	R190-S194 PolarHBondContact O-N 2.81Å; R190-S194 VanDerWaalsContact O-N 3.15Å; R191-S194 PolarHBondContact O-N 3.37Å; R191-S194 VanDerWaalsContact O-N 3.17Å; R191-S194 PolarHBondContact O-OG 2.85Å; G192-S194 VanDerWaalsContact C-N 3.33Å; G192-S194 PolarHBondContact O-N 3.12Å; S194-G197 PolarHBondContact O-N 2.78Å; S194-Q198 PolarHBondContact O-N 3.43Å
195	S	71.4	Confident	71.9	Confident	57 Å²	57	95.1 Å²	95.1	40%	0.399	50%	0.5	S	S	.	.	H	α-helix	trans	-64.5	-46.5	174.8	-170	0	0	0	0	111	R191 G192 G197 Q198 D199	R191-S195 PolarHBondContact O-N 2.98Å; G192-S195 WeakPolarHBondContact O-CB 3.4Å; G192-S195 PolarHBondContact O-N 3.23Å; S195-G197 VanDerWaalsContact C-N 3.26Å; S195-G197 PolarHBondContact O-N 2.86Å; S195-Q198 WeakPolarHBondContact O-CB 3.34Å; S195-Q198 PolarHBondContact O-N 2.83Å; S195-D199 PolarHBondContact O-N 3.42Å
196	L	68.9	Low	72.2	Confident	112 Å²	112	96.2 Å²	96.2	59%	0.586	50%	0.503	S	S	*	.	H	α-helix	trans	-61.1	-37.7	178.8	-173	64.4	0	0	0	111.7	G192 Q193 Q198 D199 L200	G192-L196 PolarHBondContact O-N 2.8Å; Q193-L196 PolarHBondContact O-N 2.86Å; L196-Q198 VanDerWaalsContact C-N 3.34Å; L196-Q198 PolarHBondContact O-N 2.73Å; L196-D199 PolarHBondContact O-N 3.46Å; L196-L200 WeakPolarHBondContact O-CB 3.32Å; L196-L200 PolarHBondContact O-N 2.81Å
197	G	71.5	Confident	72.2	Confident	33 Å²	33	94.2 Å²	94.2	34%	0.34	50%	0.498	S	S	.	.	H	α-helix	trans	-63.9	-35.9	174	0	0	0	0	0	113.5	Q193 S194 S195 N201	Q193-G197 PolarHBondContact O-N 2.69Å; S194-G197 PolarHBondContact O-N 2.78Å; S195-G197 VanDerWaalsContact C-N 3.26Å; S195-G197 PolarHBondContact O-N 2.86Å; G197-N201 PolarHBondContact O-N 2.9Å; G197-N201 PolarHBondContact O-ND2 2.95Å
198	Q	73.8	Confident	72.1	Confident	132 Å²	132	91.3 Å²	91.3	62%	0.617	49%	0.494	S	S	*	.	H	α-helix	trans	-67.4	-46.6	173.9	-73	-178.7	-23.2	0	0	111.4	S194 S195 L196 L200 N201 T202	S194-Q198 PolarHBondContact O-N 3.43Å; S195-Q198 WeakPolarHBondContact O-CB 3.34Å; S195-Q198 PolarHBondContact O-N 2.83Å; L196-Q198 VanDerWaalsContact C-N 3.34Å; L196-Q198 PolarHBondContact O-N 2.73Å; Q198-L200 VanDerWaalsContact C-N 3.29Å; Q198-L200 PolarHBondContact O-N 3.2Å; Q198-N201 PolarHBondContact O-N 2.85Å; Q198-T202 WeakPolarHBondContact O-CG2 3.41Å; Q198-T202 PolarHBondContact O-N 3.22Å
199	D	71.2	Confident	72.4	Confident	83 Å²	83	95.9 Å²	95.9	44%	0.444	50%	0.501	S	S	.	.	H	α-helix	trans	-60.3	-40.9	178.9	-65.4	-25.9	0	0	0	111.3	S195 L196 N201 T202 L203	S195-D199 PolarHBondContact O-N 3.42Å; L196-D199 PolarHBondContact O-N 3.46Å; D199-N201 PolarHBondContact O-N 3.02Å; D199-T202 PolarHBondContact O-N 3.39Å; D199-T202 PolarHBondContact O-OG1 2.82Å; D199-L203 PolarHBondContact O-N 3.47Å
200	L	68.2	Low	72.8	Confident	73 Å²	73	94.6 Å²	94.6	38%	0.382	49%	0.494	S	S	.	.	H	α-helix	trans	-64.1	-40.7	177.9	-137.7	153.7	0	0	0	112.1	L196 Q198 T202 L203 Q204	L196-L200 WeakPolarHBondContact O-CB 3.32Å; L196-L200 PolarHBondContact O-N 2.81Å; Q198-L200 VanDerWaalsContact C-N 3.29Å; Q198-L200 PolarHBondContact O-N 3.2Å; L200-T202 VanDerWaalsContact C-N 3.34Å; L200-T202 PolarHBondContact O-N 2.88Å; L200-L203 PolarHBondContact O-N 2.99Å; L200-Q204 WeakPolarHBondContact O-CB 3.5Å; L200-Q204 PolarHBondContact O-N 3.03Å
201	N	70.1	Confident	72.7	Confident	86 Å²	86	92.3 Å²	92.3	46%	0.46	49%	0.493	S	S	.	.	H	α-helix	trans	-64.3	-37.3	173.9	-75.3	-24.4	0	0	0	112.5	G197 Q198 D199 Q204 T205	G197-N201 PolarHBondContact O-N 2.9Å; G197-N201 PolarHBondContact O-ND2 2.95Å; Q198-N201 PolarHBondContact O-N 2.85Å; D199-N201 PolarHBondContact O-N 3.02Å; N201-Q204 PolarHBondContact O-N 2.95Å; N201-T205 PolarHBondContact O-N 3.1Å; N201-T205 PolarHBondContact O-OG1 2.94Å
202	T	74.8	Confident	72.7	Confident	82 Å²	82	90.5 Å²	90.5	50%	0.503	49%	0.491	S	S	.	.	H	α-helix	trans	-66	-43.5	175.6	64	0	0	0	0	111.6	Q198 D199 L200 Q204 T205 E206	Q198-T202 WeakPolarHBondContact O-CG2 3.41Å; Q198-T202 PolarHBondContact O-N 3.22Å; D199-T202 PolarHBondContact O-N 3.39Å; D199-T202 PolarHBondContact O-OG1 2.82Å; L200-T202 VanDerWaalsContact C-N 3.34Å; L200-T202 PolarHBondContact O-N 2.88Å; T202-Q204 VanDerWaalsContact C-N 3.33Å; T202-Q204 PolarHBondContact O-N 2.88Å; T202-T205 WeakPolarHBondContact O-CB 3.4Å; T202-T205 PolarHBondContact O-N 3.38Å; T202-E206 PolarHBondContact O-N 3.12Å
203	L	71.9	Confident	73	Confident	121 Å²	121	93 Å²	93	63%	0.634	49%	0.494	S	S	*	.	H	α-helix	trans	-62.1	-40	176.2	-75.7	169.5	0	0	0	112.1	D199 L200 T205 E206 Q207	D199-L203 PolarHBondContact O-N 3.47Å; L200-L203 PolarHBondContact O-N 2.99Å; L203-T205 VanDerWaalsContact C-N 3.33Å; L203-T205 PolarHBondContact O-N 2.91Å; L203-E206 PolarHBondContact O-N 2.92Å; L203-Q207 WeakPolarHBondContact O-CB 3.3Å; L203-Q207 PolarHBondContact O-N 3.09Å
204	Q	68.9	Low	73.1	Confident	65 Å²	65	92.6 Å²	92.6	30%	0.304	50%	0.496	S	S	.	.	H	α-helix	trans	-66.2	-36.7	176.5	-168.4	171.6	-9.4	0	0	112	L200 N201 T202 Q207 G208	L200-Q204 WeakPolarHBondContact O-CB 3.5Å; L200-Q204 PolarHBondContact O-N 3.03Å; N201-Q204 PolarHBondContact O-N 2.95Å; T202-Q204 VanDerWaalsContact C-N 3.33Å; T202-Q204 PolarHBondContact O-N 2.88Å; Q204-Q207 PolarHBondContact O-N 3.47Å; Q204-G208 PolarHBondContact O-N 3.07Å
205	T	78	Confident	73.7	Confident	98 Å²	98	91.7 Å²	91.7	60%	0.601	49%	0.489	S	S	*	.	H	α-helix	trans	-65.9	-43.1	174.9	-55	0	0	0	0	111.3	N201 T202 L203 G208 R209	N201-T205 PolarHBondContact O-N 3.1Å; N201-T205 PolarHBondContact O-OG1 2.94Å; T202-T205 WeakPolarHBondContact O-CB 3.4Å; T202-T205 PolarHBondContact O-N 3.38Å; L203-T205 VanDerWaalsContact C-N 3.33Å; L203-T205 PolarHBondContact O-N 2.91Å; T205-G208 PolarHBondContact O-N 2.84Å; T205-R209 PolarHBondContact O-N 2.97Å
206	E	79.2	Confident	74	Confident	105 Å²	105	92.6 Å²	92.6	49%	0.491	49%	0.489	S	S	.	.	H	α-helix	trans	-64.9	-39	175.4	-74.5	-57.9	143.1	0	0	112.3	T202 L203 G208 R209 L210	T202-E206 PolarHBondContact O-N 3.12Å; L203-E206 PolarHBondContact O-N 2.92Å; E206-G208 PolarHBondContact O-N 3.18Å; E206-R209 WeakPolarHBondContact O-CB 3.36Å; E206-R209 PolarHBondContact O-N 3.45Å; E206-L210 WeakPolarHBondContact O-CG 3.4Å; E206-L210 PolarHBondContact O-N 2.84Å
207	Q	71.7	Confident	74.3	Confident	82 Å²	82	90.3 Å²	90.3	38%	0.383	48%	0.483	S	S	.	.	H	α-helix	trans	-61.8	-43.5	174.3	-168.6	179.8	18.8	0	0	111.5	L203 Q204 R209 L210 I211	L203-Q207 WeakPolarHBondContact O-CB 3.3Å; L203-Q207 PolarHBondContact O-N 3.09Å; Q204-Q207 PolarHBondContact O-N 3.47Å; Q207-R209 VanDerWaalsContact C-N 3.32Å; Q207-R209 PolarHBondContact O-N 2.9Å; Q207-L210 PolarHBondContact O-N 2.96Å; Q207-I211 HydrophobicContact CG-CD1 4.3Å; Q207-I211 WeakPolarHBondContact O-CG1 3.34Å; Q207-I211 PolarHBondContact O-N 2.88Å
208	G	73.3	Confident	74.2	Confident	36 Å²	36	95 Å²	95	37%	0.371	50%	0.496	S	S	.	.	H	α-helix	trans	-60.6	-41.1	174.1	0	0	0	0	0	112.6	Q204 T205 E206 I211 Q212	Q204-G208 PolarHBondContact O-N 3.07Å; T205-G208 PolarHBondContact O-N 2.84Å; E206-G208 PolarHBondContact O-N 3.18Å; G208-I211 PolarHBondContact O-N 3.12Å; G208-Q212 PolarHBondContact O-N 3.37Å
209	R	80.2	Confident	74.4	Confident	161 Å²	161	92.7 Å²	92.7	61%	0.608	49%	0.487	S	S	*	.	H	α-helix	trans	-63.9	-40.7	176.2	-171	-175.5	160.6	106.6	2.8	112.2	T205 E206 Q207 Q212 L213	T205-R209 PolarHBondContact O-N 2.97Å; E206-R209 WeakPolarHBondContact O-CB 3.36Å; E206-R209 PolarHBondContact O-N 3.45Å; Q207-R209 VanDerWaalsContact C-N 3.32Å; Q207-R209 PolarHBondContact O-N 2.9Å; R209-Q212 WeakPolarHBondContact O-CB 3.17Å; R209-Q212 PolarHBondContact O-N 3.04Å; R209-L213 WeakPolarHBondContact O-CG 3.36Å; R209-L213 PolarHBondContact O-N 3.42Å
210	L	76.3	Confident	74.7	Confident	104 Å²	104	93 Å²	93	55%	0.545	49%	0.489	S	S	.	.	H	α-helix	trans	-65	-41.1	175.5	-77.9	165.5	0	0	0	112.3	E206 Q207 Q212 L213 L214	E206-L210 WeakPolarHBondContact O-CG 3.4Å; E206-L210 PolarHBondContact O-N 2.84Å; Q207-L210 PolarHBondContact O-N 2.96Å; L210-Q212 VanDerWaalsContact C-N 3.33Å; L210-Q212 PolarHBondContact O-N 2.83Å; L210-L213 PolarHBondContact O-N 2.7Å; L210-L214 WeakPolarHBondContact O-CB 3.18Å; L210-L214 WeakPolarHBondContact O-CG 3.37Å; L210-L214 PolarHBondContact O-N 3.02Å
211	I	73.2	Confident	75	Confident	105 Å²	105	95 Å²	95	54%	0.538	50%	0.498	S	S	.	.	H	α-helix	trans	-62.6	-42.3	175.6	-68.1	166.1	0	0	0	110.6	Q207 G208 L214 S215	Q207-I211 HydrophobicContact CG-CD1 4.3Å; Q207-I211 WeakPolarHBondContact O-CG1 3.34Å; Q207-I211 PolarHBondContact O-N 2.88Å; G208-I211 PolarHBondContact O-N 3.12Å; I211-L214 PolarHBondContact O-N 3.41Å; I211-S215 PolarHBondContact O-N 3.11Å
212	Q	75.2	Confident	75.4	Confident	128 Å²	128	95 Å²	95	60%	0.598	50%	0.5	S	S	*	.	H	α-helix	trans	-60.3	-47.2	176.1	-159.7	93.7	1.8	0	0	111.4	G208 R209 L210 L214 S215 D216	G208-Q212 PolarHBondContact O-N 3.37Å; R209-Q212 WeakPolarHBondContact O-CB 3.17Å; R209-Q212 PolarHBondContact O-N 3.04Å; L210-Q212 VanDerWaalsContact C-N 3.33Å; L210-Q212 PolarHBondContact O-N 2.83Å; Q212-L214 VanDerWaalsContact C-N 3.34Å; Q212-L214 PolarHBondContact O-N 2.7Å; Q212-S215 PolarHBondContact O-N 3.19Å; Q212-D216 PolarHBondContact O-N 3.05Å
213	L	79.5	Confident	75.6	Confident	94 Å²	94	97.3 Å²	97.3	49%	0.492	50%	0.503	S	S	.	.	H	α-helix	trans	-63	-38.3	178.3	-74.2	170	0	0	0	112.6	R209 L210 S217	R209-L213 WeakPolarHBondContact O-CG 3.36Å; R209-L213 PolarHBondContact O-N 3.42Å; L210-L213 PolarHBondContact O-N 2.7Å; L213-S217 VanDerWaalsContact O-CB 3.24Å; L213-S217 WeakPolarHBondContact O-CB 3.36Å; L213-S217 PolarHBondContact O-N 2.95Å
214	L	72.7	Confident	76	Confident	114 Å²	114	95.6 Å²	95.6	60%	0.597	50%	0.498	S	S	*	.	H	α-helix	trans	-65.4	-41.1	174.7	-76.3	166	0	0	0	111.6	L210 I211 Q212 S217 Q218	L210-L214 WeakPolarHBondContact O-CB 3.18Å; L210-L214 WeakPolarHBondContact O-CG 3.37Å; L210-L214 PolarHBondContact O-N 3.02Å; I211-L214 PolarHBondContact O-N 3.41Å; Q212-L214 VanDerWaalsContact C-N 3.34Å; Q212-L214 PolarHBondContact O-N 2.7Å; L214-S217 PolarHBondContact O-N 3.04Å; L214-Q218 WeakPolarHBondContact O-CG 3.42Å; L214-Q218 PolarHBondContact O-N 2.89Å
215	S	77.1	Confident	76.5	Confident	55 Å²	55	96.7 Å²	96.7	39%	0.385	51%	0.509	S	S	.	.	H	α-helix	trans	-65.1	-45.8	175.8	-169	0	0	0	0	112	I211 Q212 S217 Q218 I219	I211-S215 PolarHBondContact O-N 3.11Å; Q212-S215 PolarHBondContact O-N 3.19Å; S215-S217 VanDerWaalsContact C-N 3.31Å; S215-S217 PolarHBondContact O-N 3.02Å; S215-Q218 PolarHBondContact O-N 3.49Å; S215-I219 WeakPolarHBondContact O-CG1 3.49Å; S215-I219 PolarHBondContact O-N 2.87Å
216	D	78.3	Confident	76.7	Confident	75 Å²	75	96.3 Å²	96.3	40%	0.401	50%	0.503	S	S	.	.	H	α-helix	trans	-63.2	-38.5	176.9	-74.9	-19.4	0	0	0	111.7	Q212 I219 N220	Q212-D216 PolarHBondContact O-N 3.05Å; D216-I219 PolarHBondContact O-N 3.32Å; D216-N220 WeakPolarHBondContact O-CB 3.23Å; D216-N220 VanDerWaalsContact O-CG 3.23Å; D216-N220 PolarHBondContact O-N 3.14Å; D216-N220 PolarHBondContact O-ND2 3.08Å; D216-N220 VanDerWaalsContact O-ND2 3.16Å
217	S	74.6	Confident	76.9	Confident	65 Å²	65	94.3 Å²	94.3	46%	0.455	50%	0.501	S	S	.	.	H	α-helix	trans	-63.2	-43.2	174.1	-173.4	0	0	0	0	111.8	L213 L214 S215 I219 N220 M221	L213-S217 VanDerWaalsContact O-CB 3.24Å; L213-S217 WeakPolarHBondContact O-CB 3.36Å; L213-S217 PolarHBondContact O-N 2.95Å; L214-S217 PolarHBondContact O-N 3.04Å; S215-S217 VanDerWaalsContact C-N 3.31Å; S215-S217 PolarHBondContact O-N 3.02Å; S217-I219 PolarHBondContact O-N 2.69Å; S217-N220 PolarHBondContact O-N 2.66Å; S217-M221 VanDerWaalsContact O-CB 3.28Å; S217-M221 WeakPolarHBondContact O-CB 3.4Å; S217-M221 PolarHBondContact O-N 3.35Å
218	Q	69.5	Low	77.4	Confident	132 Å²	132	94.4 Å²	94.4	62%	0.617	51%	0.507	S	S	*	.	H	α-helix	trans	-61.9	-43.2	175	-74.6	177.7	-3.4	0	0	112	L214 S215 M221 V222	L214-Q218 WeakPolarHBondContact O-CG 3.42Å; L214-Q218 PolarHBondContact O-N 2.89Å; S215-Q218 PolarHBondContact O-N 3.49Å; Q218-M221 PolarHBondContact O-N 3.31Å; Q218-V222 WeakPolarHBondContact O-CG2 3.36Å; Q218-V222 PolarHBondContact O-N 3.3Å
219	I	78.6	Confident	77.9	Confident	83 Å²	83	95.4 Å²	95.4	43%	0.426	51%	0.508	S	S	.	.	H	α-helix	trans	-63.7	-43.9	177.2	-66.8	166.9	0	0	0	110.9	S215 D216 S217 M221 V222 K223	S215-I219 WeakPolarHBondContact O-CG1 3.49Å; S215-I219 PolarHBondContact O-N 2.87Å; D216-I219 PolarHBondContact O-N 3.32Å; S217-I219 PolarHBondContact O-N 2.69Å; I219-M221 VanDerWaalsContact C-N 3.35Å; I219-V222 PolarHBondContact O-N 2.64Å; I219-K223 PolarHBondContact O-N 3.25Å
220	N	78.2	Confident	78.1	Confident	88 Å²	88	93 Å²	93	47%	0.471	51%	0.507	S	S	.	.	H	α-helix	trans	-66.5	-37.8	177.7	-71.9	-28.3	0	0	0	111.7	D216 S217 K223 V224	D216-N220 WeakPolarHBondContact O-CB 3.23Å; D216-N220 VanDerWaalsContact O-CG 3.23Å; D216-N220 PolarHBondContact O-N 3.14Å; D216-N220 PolarHBondContact O-ND2 3.08Å; D216-N220 VanDerWaalsContact O-ND2 3.16Å; S217-N220 PolarHBondContact O-N 2.66Å; N220-K223 WeakPolarHBondContact O-CB 3.36Å; N220-K223 PolarHBondContact O-N 2.03Å; N220-V224 WeakPolarHBondContact O-CG2 3.47Å; N220-V224 PolarHBondContact O-N 2.97Å
221	M	74.8	Confident	78.3	Confident	117 Å²	117	90.4 Å²	90.4	58%	0.576	50%	0.501	S	S	*	.	H	α-helix	trans	-63.1	-42.9	174.9	-167.1	-171.8	-58.5	0	0	111.4	S217 Q218 I219 K223 V224 V225	S217-M221 VanDerWaalsContact O-CB 3.28Å; S217-M221 WeakPolarHBondContact O-CB 3.4Å; S217-M221 PolarHBondContact O-N 3.35Å; Q218-M221 PolarHBondContact O-N 3.31Å; I219-M221 VanDerWaalsContact C-N 3.35Å; M221-K223 VanDerWaalsContact C-N 3.34Å; M221-K223 PolarHBondContact O-N 3.44Å; M221-V224 PolarHBondContact O-N 2.91Å; M221-V225 WeakPolarHBondContact O-CB 3.37Å; M221-V225 VanDerWaalsContact O-CG2 3.28Å; M221-V225 WeakPolarHBondContact O-CG2 3.43Å; M221-V225 PolarHBondContact O-N 3.22Å
222	V	77	Confident	78.5	Confident	85 Å²	85	89.8 Å²	89.8	52%	0.515	50%	0.498	S	S	.	.	H	α-helix	trans	-62	-40.9	174.2	171.8	0	0	0	0	111.3	Q218 I219 V225 N226	Q218-V222 WeakPolarHBondContact O-CG2 3.36Å; Q218-V222 PolarHBondContact O-N 3.3Å; I219-V222 PolarHBondContact O-N 2.64Å; V222-V225 PolarHBondContact O-N 2.98Å; V222-N226 WeakPolarHBondContact O-CB 3.21Å; V222-N226 VanDerWaalsContact O-CG 3.23Å; V222-N226 PolarHBondContact O-N 3.15Å; V222-N226 PolarHBondContact O-ND2 2.77Å
223	K	79.1	Confident	78.7	Confident	130 Å²	130	88.1 Å²	88.1	57%	0.565	49%	0.494	S	S	*	.	H	α-helix	trans	-62.1	-43.4	173.9	-74.5	176.5	-177.1	170.9	0	112.1	I219 N220 M221 N226 S227	I219-K223 PolarHBondContact O-N 3.25Å; N220-K223 WeakPolarHBondContact O-CB 3.36Å; N220-K223 PolarHBondContact O-N 2.03Å; M221-K223 VanDerWaalsContact C-N 3.34Å; M221-K223 PolarHBondContact O-N 3.44Å; K223-N226 PolarHBondContact O-N 3.16Å; K223-S227 WeakPolarHBondContact O-CB 3.35Å; K223-S227 PolarHBondContact O-N 3.35Å; K223-S227 PolarHBondContact O-OG 2.75Å
224	V	81.4	Confident	78.6	Confident	85 Å²	85	86.1 Å²	86.1	52%	0.515	49%	0.491	S	S	.	.	H	α-helix	trans	-63.1	-47.8	177.1	171.9	0	0	0	0	110.1	N220 M221 N226 S227 V228	N220-V224 WeakPolarHBondContact O-CG2 3.47Å; N220-V224 PolarHBondContact O-N 2.97Å; M221-V224 PolarHBondContact O-N 2.91Å; V224-N226 VanDerWaalsContact C-N 3.31Å; V224-N226 PolarHBondContact O-N 3.12Å; V224-S227 WeakPolarHBondContact CA-OG 3.37Å; V224-S227 PolarHBondContact O-N 3.24Å; V224-S227 VanDerWaalsContact O-N 3.15Å; V224-S227 PolarHBondContact O-OG 2.75Å; V224-V228 HydrophobicContact CG1-CG2 4.16Å; V224-V228 WeakPolarHBondContact O-CB 3.12Å; V224-V228 VanDerWaalsContact O-CG2 3.27Å; V224-V228 WeakPolarHBondContact O-CG2 3.34Å; V224-V228 PolarHBondContact O-N 2.85Å
225	V	79.7	Confident	78.5	Confident	88 Å²	88	86.3 Å²	86.3	53%	0.533	49%	0.49	S	S	.	.	H	α-helix	trans	-58.4	-43.4	177.5	169.9	0	0	0	0	111.4	M221 V222 V228 S229	M221-V225 WeakPolarHBondContact O-CB 3.37Å; M221-V225 VanDerWaalsContact O-CG2 3.28Å; M221-V225 WeakPolarHBondContact O-CG2 3.43Å; M221-V225 PolarHBondContact O-N 3.22Å; V222-V225 PolarHBondContact O-N 2.98Å; V225-V228 PolarHBondContact O-N 3.25Å; V225-S229 WeakPolarHBondContact O-CB 3.14Å; V225-S229 PolarHBondContact O-N 2.94Å
226	N	80.4	Confident	78.3	Confident	91 Å²	91	89.6 Å²	89.6	49%	0.487	50%	0.499	S	S	.	.	H	α-helix	trans	-64.7	-44.1	176	-70.6	-21.8	0	0	0	111.7	V222 K223 V224 V228 S229 D230	V222-N226 WeakPolarHBondContact O-CB 3.21Å; V222-N226 VanDerWaalsContact O-CG 3.23Å; V222-N226 PolarHBondContact O-N 3.15Å; V222-N226 PolarHBondContact O-ND2 2.77Å; K223-N226 PolarHBondContact O-N 3.16Å; V224-N226 VanDerWaalsContact C-N 3.31Å; V224-N226 PolarHBondContact O-N 3.12Å; N226-V228 VanDerWaalsContact C-N 3.33Å; N226-V228 PolarHBondContact O-N 3.08Å; N226-S229 WeakPolarHBondContact O-CB 3.47Å; N226-S229 PolarHBondContact O-N 3.26Å; N226-D230 PolarHBondContact O-N 3.44Å
227	S	83.9	Confident	78.1	Confident	63 Å²	63	94.3 Å²	94.3	44%	0.441	52%	0.516	S	S	.	.	H	α-helix	trans	-64.4	-36	177.2	72.9	0	0	0	0	113	K223 V224 D230 A231	K223-S227 WeakPolarHBondContact O-CB 3.35Å; K223-S227 PolarHBondContact O-N 3.35Å; K223-S227 PolarHBondContact O-OG 2.75Å; V224-S227 WeakPolarHBondContact CA-OG 3.37Å; V224-S227 PolarHBondContact O-N 3.24Å; V224-S227 VanDerWaalsContact O-N 3.15Å; V224-S227 PolarHBondContact O-OG 2.75Å; S227-D230 PolarHBondContact O-N 3.1Å; S227-A231 VanDerWaalsContact O-CB 3.26Å; S227-A231 WeakPolarHBondContact O-CB 3.4Å; S227-A231 PolarHBondContact O-N 3.11Å
228	V	81.8	Confident	77.8	Confident	84 Å²	84	98.3 Å²	98.3	51%	0.509	53%	0.528	S	S	.	.	H	α-helix	trans	-70.8	-38.7	175.1	171.4	0	0	0	0	110.3	V224 V225 N226 A231 L232	V224-V228 HydrophobicContact CG1-CG2 4.16Å; V224-V228 WeakPolarHBondContact O-CB 3.12Å; V224-V228 VanDerWaalsContact O-CG2 3.27Å; V224-V228 WeakPolarHBondContact O-CG2 3.34Å; V224-V228 PolarHBondContact O-N 2.85Å; V225-V228 PolarHBondContact O-N 3.25Å; N226-V228 VanDerWaalsContact C-N 3.33Å; N226-V228 PolarHBondContact O-N 3.08Å; V228-A231 PolarHBondContact O-N 3.34Å; V228-L232 WeakPolarHBondContact O-CB 3.32Å; V228-L232 PolarHBondContact O-N 3.01Å
229	S	83.8	Confident	77.5	Confident	56 Å²	56	96.3 Å²	96.3	39%	0.392	52%	0.521	S	S	.	.	H	α-helix	trans	-61.9	-44.7	173.2	-170.2	0	0	0	0	111.2	V225 N226 L232 N233	V225-S229 WeakPolarHBondContact O-CB 3.14Å; V225-S229 PolarHBondContact O-N 2.94Å; N226-S229 WeakPolarHBondContact O-CB 3.47Å; N226-S229 PolarHBondContact O-N 3.26Å; S229-L232 PolarHBondContact O-N 3.49Å; S229-N233 WeakPolarHBondContact O-CB 3.48Å; S229-N233 PolarHBondContact O-N 2.86Å; S229-N233 PolarHBondContact O-ND2 2.97Å
230	D	85.1	Confident	76.8	Confident	110 Å²	110	97.3 Å²	97.3	59%	0.588	53%	0.531	S	S	*	.	H	α-helix	trans	-65.8	-42.9	176.8	-70.1	-24.2	0	0	0	111.9	N226 S227 N233 A234	N226-D230 PolarHBondContact O-N 3.44Å; S227-D230 PolarHBondContact O-N 3.1Å; D230-N233 PolarHBondContact O-N 2.87Å; D230-A234 WeakPolarHBondContact O-CB 3.31Å; D230-A234 PolarHBondContact O-N 3.14Å
231	A	80.7	Confident	76.2	Confident	51 Å²	51	94.7 Å²	94.7	42%	0.421	53%	0.525	S	S	.	.	H	α-helix	trans	-64.5	-39.3	174.5	0	0	0	0	0	111.9	S227 V228 A234 M235	S227-A231 VanDerWaalsContact O-CB 3.26Å; S227-A231 WeakPolarHBondContact O-CB 3.4Å; S227-A231 PolarHBondContact O-N 3.11Å; V228-A231 PolarHBondContact O-N 3.34Å; A231-A234 PolarHBondContact O-N 2.84Å; A231-M235 WeakPolarHBondContact O-CB 3.36Å; A231-M235 WeakPolarHBondContact O-CG 3.35Å; A231-M235 PolarHBondContact O-N 3.03Å
232	L	77.3	Confident	75.4	Confident	92 Å²	92	94 Å²	94	48%	0.482	52%	0.522	S	S	.	.	H	α-helix	trans	-67.4	-41.4	176.8	-174.6	66.3	0	0	0	111	V228 S229 M235 Q236	V228-L232 WeakPolarHBondContact O-CB 3.32Å; V228-L232 PolarHBondContact O-N 3.01Å; S229-L232 PolarHBondContact O-N 3.49Å; L232-M235 HydrophobicContact CD1-CE 4.32Å; L232-M235 PolarHBondContact O-N 2.72Å; L232-Q236 VanDerWaalsContact O-CB 3.24Å; L232-Q236 WeakPolarHBondContact O-CB 3.43Å; L232-Q236 PolarHBondContact O-N 3.06Å
233	N	78.6	Confident	74.6	Confident	93 Å²	93	97.2 Å²	97.2	50%	0.497	53%	0.529	S	S	.	.	H	α-helix	trans	-65.4	-39.6	174.7	-73.1	-34.8	0	0	0	111.7	S229 D230 Q236 K237	S229-N233 WeakPolarHBondContact O-CB 3.48Å; S229-N233 PolarHBondContact O-N 2.86Å; S229-N233 PolarHBondContact O-ND2 2.97Å; D230-N233 PolarHBondContact O-N 2.87Å; N233-Q236 PolarHBondContact O-N 3.19Å; N233-K237 WeakPolarHBondContact O-CB 3.42Å; N233-K237 PolarHBondContact O-N 3.48Å
234	A	78.3	Confident	73.7	Confident	52 Å²	52	94.1 Å²	94.1	43%	0.43	53%	0.528	S	S	.	.	H	α-helix	trans	-63.7	-47.5	172.9	0	0	0	0	0	111.4	D230 A231 Q236 K237 E238	D230-A234 WeakPolarHBondContact O-CB 3.31Å; D230-A234 PolarHBondContact O-N 3.14Å; A231-A234 PolarHBondContact O-N 2.84Å; A234-Q236 VanDerWaalsContact C-N 3.33Å; A234-Q236 PolarHBondContact O-N 3.16Å; A234-K237 WeakPolarHBondContact O-CB 3.3Å; A234-K237 PolarHBondContact O-N 3.04Å; A234-E238 PolarHBondContact O-N 2.95Å
235	M	69.9	Low	72.6	Confident	117 Å²	117	98.6 Å²	98.6	58%	0.576	54%	0.536	S	S	*	.	H	α-helix	trans	-62.7	-37.8	175.4	-76.3	-156.3	-60.1	0	0	112.1	A231 L232 K237 E238 N239	A231-M235 WeakPolarHBondContact O-CB 3.36Å; A231-M235 WeakPolarHBondContact O-CG 3.35Å; A231-M235 PolarHBondContact O-N 3.03Å; L232-M235 HydrophobicContact CD1-CE 4.32Å; L232-M235 PolarHBondContact O-N 2.72Å; M235-K237 VanDerWaalsContact C-N 3.34Å; M235-E238 PolarHBondContact O-N 3.38Å; M235-N239 WeakPolarHBondContact O-CB 3.37Å; M235-N239 PolarHBondContact O-N 3.12Å
236	Q	74.4	Confident	71.6	Confident	125 Å²	125	97.9 Å²	97.9	58%	0.584	53%	0.532	S	S	*	.	H	α-helix	trans	-68	-36.1	178	-167.5	149.8	-31	0	0	111.4	L232 N233 A234 N239 V240	L232-Q236 VanDerWaalsContact O-CB 3.24Å; L232-Q236 WeakPolarHBondContact O-CB 3.43Å; L232-Q236 PolarHBondContact O-N 3.06Å; N233-Q236 PolarHBondContact O-N 3.19Å; A234-Q236 VanDerWaalsContact C-N 3.33Å; A234-Q236 PolarHBondContact O-N 3.16Å; Q236-N239 PolarHBondContact O-N 3.44Å; Q236-V240 WeakPolarHBondContact O-CG2 3.4Å; Q236-V240 PolarHBondContact O-N 3.42Å; Q236-V240 VanDerWaalsContact O-N 3.16Å
237	K	72.8	Confident	70.6	Confident	174 Å²	174	101.4 Å²	101.4	76%	0.757	54%	0.543	S	S	*	.	H	α-helix	trans	-67.3	-39.7	172.4	-167.8	176.8	-178	-179.5	0	112	N233 A234 M235 G241	N233-K237 WeakPolarHBondContact O-CB 3.42Å; N233-K237 PolarHBondContact O-N 3.48Å; A234-K237 WeakPolarHBondContact O-CB 3.3Å; A234-K237 PolarHBondContact O-N 3.04Å; M235-K237 VanDerWaalsContact C-N 3.34Å; K237-G241 PolarHBondContact O-N 3.38Å
238	E	68.4	Low	69.2	Low	149 Å²	149	101.4 Å²	101.4	70%	0.696	55%	0.546	S	S	*	.	H	α-helix	trans	-68.9	-36.9	173.3	-71.9	-161.3	157.9	0	0	112.5	A234 M235 V240 G241 L242	A234-E238 PolarHBondContact O-N 2.95Å; M235-E238 PolarHBondContact O-N 3.38Å; E238-V240 VanDerWaalsContact C-N 3.33Å; E238-V240 PolarHBondContact O-N 2.86Å; E238-G241 CarbonylContact O-C 3.59Å; E238-G241 WeakPolarHBondContact O-CA 3.22Å; E238-G241 PolarHBondContact O-N 3.14Å; E238-G241 VanDerWaalsContact O-N 3.12Å; E238-L242 WeakPolarHBondContact O-CB 3.38Å; E238-L242 PolarHBondContact O-N 3.44Å
239	N	62.8	Low	67.6	Low	90 Å²	90	102.4 Å²	102.4	48%	0.481	55%	0.549	S	S	.	.	H	α-helix	trans	-71.1	-27	-178.6	-151.1	3.5	0	0	0	112.5	M235 Q236 K243	M235-N239 WeakPolarHBondContact O-CB 3.37Å; M235-N239 PolarHBondContact O-N 3.12Å; Q236-N239 PolarHBondContact O-N 3.44Å; N239-K243 VanDerWaalsContact O-CB 3.27Å; N239-K243 WeakPolarHBondContact O-CB 2.92Å; N239-K243 WeakPolarHBondContact O-CG 3.5Å; N239-K243 PolarHBondContact O-N 3.42Å
240	V	64.6	Low	65.9	Low	104 Å²	104	106.6 Å²	106.6	63%	0.63	57%	0.566	S	S	*	*	H	α-helix	trans	-68.7	-41.2	168.6	173.4	0	0	0	0	110.8	Q236 E238 A244	Q236-V240 WeakPolarHBondContact O-CG2 3.4Å; Q236-V240 PolarHBondContact O-N 3.42Å; Q236-V240 VanDerWaalsContact O-N 3.16Å; E238-V240 VanDerWaalsContact C-N 3.33Å; E238-V240 PolarHBondContact O-N 2.86Å; V240-A244 PolarHBondContact O-N 2.83Å; V240-A244 VanDerWaalsContact O-N 3.16Å
241	G	65.6	Low	64.4	Low	33 Å²	33	109.7 Å²	109.7	34%	0.34	58%	0.577	S	S	.	*	H	α-helix	trans	-67.8	-37.7	173.5	0	0	0	0	0	113.2	K237 E238 A244 R245	K237-G241 PolarHBondContact O-N 3.38Å; E238-G241 CarbonylContact O-C 3.59Å; E238-G241 WeakPolarHBondContact O-CA 3.22Å; E238-G241 PolarHBondContact O-N 3.14Å; E238-G241 VanDerWaalsContact O-N 3.12Å; G241-A244 PolarHBondContact O-N 3.45Å; G241-R245 WeakPolarHBondContact O-CG 3.44Å; G241-R245 PolarHBondContact O-N 3.07Å
242	L	57.8	Low	63	Low	101 Å²	101	118 Å²	118	53%	0.529	60%	0.598	S	S	.	*	H	α-helix	trans	-72.7	-39.1	178.1	-149.8	76.6	0	0	0	111.1	E238 A244 R245 V246	E238-L242 WeakPolarHBondContact O-CB 3.38Å; E238-L242 PolarHBondContact O-N 3.44Å; L242-A244 VanDerWaalsContact C-N 3.31Å; L242-A244 PolarHBondContact O-N 2.65Å; L242-R245 PolarHBondContact O-N 2.86Å; L242-V246 HydrophobicContact CG-CG2 4.39Å; L242-V246 VanDerWaalsContact O-CB 3.24Å; L242-V246 WeakPolarHBondContact O-CB 3.34Å; L242-V246 WeakPolarHBondContact O-CG2 3.34Å; L242-V246 PolarHBondContact O-N 3.45Å
243	K	59.7	Low	61	Low	153 Å²	153	117 Å²	117	67%	0.665	60%	0.603	S	S	*	*	H	α-helix	trans	-61.2	-38.1	170.7	-89.2	-178.1	174.2	176.8	0	112.5	N239 K247	N239-K243 VanDerWaalsContact O-CB 3.27Å; N239-K243 WeakPolarHBondContact O-CB 2.92Å; N239-K243 WeakPolarHBondContact O-CG 3.5Å; N239-K243 PolarHBondContact O-N 3.42Å; K243-K247 VanDerWaalsContact O-CB 3.26Å; K243-K247 WeakPolarHBondContact O-CB 3.48Å; K243-K247 PolarHBondContact O-N 3.16Å
244	A	60	Low	59.4	Low	65 Å²	65	118.5 Å²	118.5	54%	0.537	62%	0.617	S	S	.	*	H	α-helix	trans	-69	-39.2	176.1	0	0	0	0	0	112.2	V240 G241 L242 A248	V240-A244 PolarHBondContact O-N 2.83Å; V240-A244 VanDerWaalsContact O-N 3.16Å; G241-A244 PolarHBondContact O-N 3.45Å; L242-A244 VanDerWaalsContact C-N 3.31Å; L242-A244 PolarHBondContact O-N 2.65Å; A244-A248 PolarHBondContact O-N 3.08Å
245	R	59.6	Low	57.7	Low	179 Å²	179	122.7 Å²	122.7	68%	0.675	64%	0.637	S	S	*	*	H	α-helix	trans	-71.4	-43.9	175.3	-75.1	176.2	174.9	165	-1.3	112.8	G241 L242 K247 A248 D249	G241-R245 WeakPolarHBondContact O-CG 3.44Å; G241-R245 PolarHBondContact O-N 3.07Å; L242-R245 PolarHBondContact O-N 2.86Å; R245-K247 VanDerWaalsContact C-N 3.3Å; R245-K247 PolarHBondContact O-N 3.38Å; R245-A248 CarbonylContact O-C 3.52Å; R245-A248 WeakPolarHBondContact O-CA 3.47Å; R245-A248 WeakPolarHBondContact O-CB 3.43Å; R245-A248 PolarHBondContact O-N 2.89Å; R245-D249 PolarHBondContact O-N 3.22Å
246	V	58.7	Low	56.6	Low	74 Å²	74	129 Å²	129	45%	0.448	66%	0.655	S	S	.	*	H	α-helix	trans	-62	-37.1	175.3	170.4	0	0	0	0	111	L242 A248 D249 L250	L242-V246 HydrophobicContact CG-CG2 4.39Å; L242-V246 VanDerWaalsContact O-CB 3.24Å; L242-V246 WeakPolarHBondContact O-CB 3.34Å; L242-V246 WeakPolarHBondContact O-CG2 3.34Å; L242-V246 PolarHBondContact O-N 3.45Å; V246-A248 VanDerWaalsContact C-N 3.3Å; V246-A248 PolarHBondContact O-N 3.05Å; V246-D249 PolarHBondContact O-N 3Å; V246-L250 HydrophobicContact CG1-CD1 4.03Å; V246-L250 WeakPolarHBondContact O-CB 3.36Å; V246-L250 PolarHBondContact O-N 3.04Å
247	K	58.8	Low	55	Low	164 Å²	164	125.6 Å²	125.6	71%	0.713	65%	0.654	S	S	*	*	H	α-helix	trans	-67	-29.7	174.3	-170.7	175.6	-179.7	-178.6	0	112.9	K243 R245	K243-K247 VanDerWaalsContact O-CB 3.26Å; K243-K247 WeakPolarHBondContact O-CB 3.48Å; K243-K247 PolarHBondContact O-N 3.16Å; R245-K247 VanDerWaalsContact C-N 3.3Å; R245-K247 PolarHBondContact O-N 3.38Å
248	A	54.1	Low	53.7	Low	63 Å²	63	122.3 Å²	122.3	52%	0.521	66%	0.659	S	S	.	*	H	α-helix	trans	-81.2	-35.5	174.7	0	0	0	0	0	112.5	A244 R245 V246	A244-A248 PolarHBondContact O-N 3.08Å; R245-A248 CarbonylContact O-C 3.52Å; R245-A248 WeakPolarHBondContact O-CA 3.47Å; R245-A248 WeakPolarHBondContact O-CB 3.43Å; R245-A248 PolarHBondContact O-N 2.89Å; V246-A248 VanDerWaalsContact C-N 3.3Å; V246-A248 PolarHBondContact O-N 3.05Å
249	D	48.4	Very low	52.4	Low	105 Å²	105	126.2 Å²	126.2	56%	0.561	67%	0.667	S	S	*	*	H	α-helix	trans	-78.5	-28.1	178.3	-72.9	-24.7	0	0	0	113	R245 V246 Q251 R252 A253	R245-D249 PolarHBondContact O-N 3.22Å; V246-D249 PolarHBondContact O-N 3Å; D249-Q251 PolarHBondContact O-N 3.06Å; D249-R252 PolarHBondContact O-N 2.89Å; D249-A253 PolarHBondContact O-N 3.29Å; D249-A253 VanDerWaalsContact O-N 3.11Å
250	L	48.8	Very low	51.6	Low	145 Å²	145	128.8 Å²	128.8	76%	0.759	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-18.2	172.6	-124.3	81.6	0	0	0	113.2	V246	V246-L250 HydrophobicContact CG1-CD1 4.03Å; V246-L250 WeakPolarHBondContact O-CB 3.36Å; V246-L250 PolarHBondContact O-N 3.04Å
251	Q	52.3	Low	51.2	Low	174 Å²	174	128.2 Å²	128.2	81%	0.813	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-1.8	175.7	-66.3	-162.5	-11.3	0	0	113.1	D249	D249-Q251 PolarHBondContact O-N 3.06Å
252	R	52.9	Low	50.5	Low	226 Å²	226	129.4 Å²	129.4	85%	0.853	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.9	-4	-173.1	-137.5	175.6	-156.6	127.6	5.5	118	D249	D249-R252 PolarHBondContact O-N 2.89Å
253	A	34.6	Very low	50.2	Low	72 Å²	72	126.4 Å²	126.4	60%	0.595	67%	0.669	S	S	*	*			trans	-106.1	131.9	-179	0	0	0	0	0	113.6	D249	D249-A253 PolarHBondContact O-N 3.29Å; D249-A253 VanDerWaalsContact O-N 3.11Å
254	P	45.7	Very low	49.9	Very low	123 Å²	123	123.3 Å²	123.3	80%	0.799	67%	0.666	S	S	*	*			trans	-73.5	135.3	173.1	30	-30.7	0	0	0	110.7	R256	P254-R256 PolarHBondContact O-N 3.32Å; P254-R256 VanDerWaalsContact O-N 3.12Å
255	V	42.5	Very low	49.7	Very low	140 Å²	140	127.9 Å²	127.9	85%	0.848	68%	0.682	S	S	*	*			trans	-62.8	107.2	-179.5	179.7	0	0	0	0	110.7
256	R	45.6	Very low	49.8	Very low	249 Å²	249	122.9 Å²	122.9	94%	0.94	69%	0.686	S	S	*	*			trans	-111	84.5	152.3	-84.9	-174.4	175.2	178.5	-0.6	107.8	P254	P254-R256 PolarHBondContact O-N 3.32Å; P254-R256 VanDerWaalsContact O-N 3.12Å
257	G	40.9	Very low	50.7	Low	55 Å²	55	122 Å²	122	57%	0.567	68%	0.683	S	S	*	*			trans	-63.5	143.4	167.6	0	0	0	0	0	110.1	R259	G257-R259 PolarHBondContact O-N 2.97Å
258	A	46.1	Very low	52.2	Low	105 Å²	105	120.7 Å²	120.7	87%	0.868	67%	0.673	S	S	*	*			trans	-50.6	112.7	157.2	0	0	0	0	0	106.9	L260	A258-L260 PolarHBondContact O-N 2.59Å
259	R	40.9	Very low	54.2	Low	230 Å²	230	118.1 Å²	118.1	87%	0.868	65%	0.651	S	S	*	*			trans	-68	109.2	-172.9	-162.7	177.4	-169.6	-179.8	1.8	107.1	G257 K261	G257-R259 PolarHBondContact O-N 2.97Å; R259-K261 PolarHBondContact O-N 3.23Å
260	L	45.2	Very low	56.5	Low	144 Å²	144	118 Å²	118	75%	0.754	64%	0.643	S	S	*	*			trans	-48.5	112	155.7	-77	157.6	0	0	0	105.8	A258 G262	A258-L260 PolarHBondContact O-N 2.59Å; L260-G262 PolarHBondContact O-N 2.85Å
261	K	57.5	Low	58.9	Low	92 Å²	92	111.2 Å²	111.2	40%	0.4	61%	0.607	S	S	.	*			trans	-71.9	80.9	174	-80.7	-177.6	174.6	-178.9	0	107.1	R259 E282	R259-K261 PolarHBondContact O-N 3.23Å; K261-E282 IonicContact NZ-OE1 2.69Å; K261-E282 PolarHBondContact NZ-OE1 2.87Å; K261-E282 IonicContact NZ-OE2 3.84Å; K261-E282 PolarHBondContact NZ-OE2 3.15Å
262	G	49.5	Very low	61	Low	58 Å²	58	102.9 Å²	102.9	60%	0.598	57%	0.568	S	S	*	*			trans	-58.4	139.7	168.6	0	0	0	0	0	109.3	L260 S264	L260-G262 PolarHBondContact O-N 2.85Å; G262-S264 PolarHBondContact O-N 2.74Å; G262-S264 VanDerWaalsContact O-N 3.15Å
263	C	53.4	Low	63.1	Low	39 Å²	39	93 Å²	93	26%	0.264	54%	0.536	S	S	.	.			trans	-53.5	121.1	174.8	-68.3	0	0	0	0	109.1	N265 S267	C263-N265 PolarHBondContact O-N 3.2Å; C263-S267 WeakPolarHBondContact CB-OG 3.44Å
264	S	52.4	Low	66.1	Low	87 Å²	87	91.7 Å²	91.7	61%	0.608	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	115	174.5	-54.2	0	0	0	0	107	G262	G262-S264 PolarHBondContact O-N 2.74Å; G262-S264 VanDerWaalsContact O-N 3.15Å
265	N	55	Low	68.4	Low	162 Å²	162	86 Å²	86	87%	0.866	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	32.7	176.7	-55.9	-18.8	0	0	0	119.2	C263 S267	C263-N265 PolarHBondContact O-N 3.2Å; N265-S267 PolarHBondContact O-N 2.84Å
266	G	62.9	Low	71	Confident	73 Å²	73	82.1 Å²	82.1	75%	0.753	45%	0.453	S	S	*	.	S	Bend	trans	61.5	15.8	172	0	0	0	0	0	113.9
267	S	76.9	Confident	73.3	Confident	56 Å²	56	74.3 Å²	74.3	39%	0.392	44%	0.442	S	S	.	.			trans	-66.2	140.7	173.4	48.7	0	0	0	0	109.5	C263 N265 P269	C263-S267 WeakPolarHBondContact CB-OG 3.44Å; N265-S267 PolarHBondContact O-N 2.84Å; S267-P269 VanDerWaalsContact C-CD 3.48Å; S267-P269 VanDerWaalsContact O-CD 3.24Å; S267-P269 WeakPolarHBondContact O-CD 3.35Å
268	R	91.6	Very high	75.8	Confident	137 Å²	137	75.2 Å²	75.2	52%	0.517	44%	0.439	S	S	.	.			trans	-115	76.4	-178.4	-65.6	176.4	59.4	79.1	4.6	107.9	R270 F289 P294	R268-R270 PolarHBondContact O-N 3.28Å; R268-F289 HydrophobicContact CB-CB 4.21Å; R268-F289 HydrophobicContact CB-CD2 4.06Å; R268-F289 HydrophobicContact CB-CG 4.23Å; R268-F289 HydrophobicContact CG-CD2 4.49Å; R268-P294 PolarHBondContact NH2-O 3.42Å
269	P	95.8	Very high	78.1	Confident	8 Å²	8	72.4 Å²	72.4	5%	0.052	42%	0.42	C	S	.	.			trans	-62.4	134.6	-176.9	27.4	-35.4	0	0	0	109.8	S267 D271 D274 L275 V288 F289	S267-P269 VanDerWaalsContact C-CD 3.48Å; S267-P269 VanDerWaalsContact O-CD 3.24Å; S267-P269 WeakPolarHBondContact O-CD 3.35Å; P269-D271 VanDerWaalsContact C-N 3.34Å; P269-D274 HydrophobicContact CB-CB 3.79Å; P269-L275 HydrophobicContact CB-CD1 4.42Å; P269-L275 HydrophobicContact CB-CD2 4.15Å; P269-L275 HydrophobicContact CB-CG 3.72Å; P269-L275 HydrophobicContact CG-CD1 4.24Å; P269-L275 HydrophobicContact CG-CD2 3.81Å; P269-L275 HydrophobicContact CG-CG 3.79Å; P269-V288 CarbonylContact O-C 3.54Å; P269-V288 WeakPolarHBondContact O-CA 3.42Å; P269-F289 PolarHBondContact O-N 2.77Å
270	R	96.8	Very high	80.7	Confident	104 Å²	104	63.7 Å²	63.7	39%	0.392	39%	0.39	S	S	.	.	S	Bend	trans	-75.4	-28.1	-178	-65.6	171.4	-65.4	162.3	6.7	112.6	R268 D274 V291 Q354	R268-R270 PolarHBondContact O-N 3.28Å; R270-D274 VanDerWaalsContact CB-OD2 3.28Å; R270-D274 WeakPolarHBondContact CB-OD2 3.22Å; R270-D274 WeakPolarHBondContact CG-OD2 3.43Å; R270-D274 IonicContact CZ-OD1 3.75Å; R270-D274 IonicContact CZ-OD2 3.73Å; R270-D274 PolarHBondContact N-OD2 3.12Å; R270-D274 IonicContact NE-OD1 2.7Å; R270-D274 IonicContact NE-OD2 3.13Å; R270-D274 PolarHBondContact NE-OD2 3.16Å; R270-D274 IonicContact NH2-OD1 2.92Å; R270-D274 PolarHBondContact NH2-OD1 3.31Å; R270-D274 IonicContact NH2-OD2 3.63Å; R270-V291 HydrophobicContact CG-CG2 4.44Å; R270-Q354 PolarHBondContact O-NE2 2.92Å
271	D	97.8	Very high	83.1	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.005	38%	0.376	C	S	.	.	S	Bend	trans	-159.4	-174.9	-178.2	54.9	45	0	0	0	111	P269 G273 D274 L275 L351 Y357 P484	P269-D271 VanDerWaalsContact C-N 3.34Å; D271-G273 PolarHBondContact O-N 3.31Å; D271-G273 WeakPolarHBondContact OD1-CA 3.43Å; D271-G273 PolarHBondContact OD1-N 3.04Å; D271-D274 PolarHBondContact O-N 3.16Å; D271-D274 PolarHBondContact OD1-N 3.03Å; D271-L275 PolarHBondContact O-N 3.41Å; D271-L351 HydrophobicContact CB-CD2 4.11Å; D271-Y357 PolarHBondContact OD2-OH 3.37Å; D271-P484 WeakPolarHBondContact OD2-CG 3.5Å
272	C	98.1	Very high	84.9	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-69.1	-20.9	175.9	-62.6	0	0	0	0	113.4	L275 Y276 C301 M303 G309 W310 T311	C272-L275 PolarHBondContact O-N 3.45Å; C272-Y276 WeakPolarHBondContact O-CB 3.39Å; C272-Y276 PolarHBondContact O-N 2.99Å; C272-C301 HydrophobicContact CB-CB 3.66Å; C272-C301 WeakPolarHBondContact CB-SG 3.11Å; C272-C301 WeakPolarHBondContact SG-CA 3.18Å; C272-C301 WeakPolarHBondContact SG-CB 3.5Å; C272-C301 CovalentContact SG-SG 2.03Å; C272-C301 PolarHBondContact SG-SG 3.32Å; C272-M303 HydrophobicContact CB-CE 4.46Å; C272-G309 CarbonylContact C-O 3.57Å; C272-W310 WeakPolarHBondContact CB-O 3.09Å; C272-W310 PolarHBondContact SG-O 3.34Å; C272-T311 VanDerWaalsContact CB-OG1 3.24Å; C272-T311 WeakPolarHBondContact CB-OG1 3.04Å; C272-T311 PolarHBondContact N-OG1 2.85Å; C272-T311 VanDerWaalsContact N-OG1 3.1Å; C272-T311 PolarHBondContact SG-OG1 3.42Å
273	G	96.8	Very high	87.3	Confident	17 Å²	17	64.1 Å²	64.1	18%	0.175	37%	0.371	C	S	.	.	H	α-helix	trans	-67.3	-45.4	174.4	0	0	0	0	0	111.8	D271 L275 Y276 A277 G309	D271-G273 PolarHBondContact O-N 3.31Å; D271-G273 WeakPolarHBondContact OD1-CA 3.43Å; D271-G273 PolarHBondContact OD1-N 3.04Å; G273-L275 VanDerWaalsContact C-N 3.31Å; G273-L275 PolarHBondContact O-N 2.91Å; G273-Y276 PolarHBondContact O-N 2.78Å; G273-A277 WeakPolarHBondContact O-CB 3.3Å; G273-A277 PolarHBondContact O-N 3.43Å; G273-G309 PolarHBondContact N-O 2.82Å
274	D	96.3	Very high	89.3	Confident	45 Å²	45	63 Å²	63	24%	0.241	37%	0.366	C	S	.	.	H	α-helix	trans	-60.7	-41.2	173.3	-79.9	-6.9	0	0	0	111.2	P269 R270 D271 A277 S278	P269-D274 HydrophobicContact CB-CB 3.79Å; R270-D274 VanDerWaalsContact CB-OD2 3.28Å; R270-D274 WeakPolarHBondContact CB-OD2 3.22Å; R270-D274 WeakPolarHBondContact CG-OD2 3.43Å; R270-D274 IonicContact CZ-OD1 3.75Å; R270-D274 IonicContact CZ-OD2 3.73Å; R270-D274 PolarHBondContact N-OD2 3.12Å; R270-D274 IonicContact NE-OD1 2.7Å; R270-D274 IonicContact NE-OD2 3.13Å; R270-D274 PolarHBondContact NE-OD2 3.16Å; R270-D274 IonicContact NH2-OD1 2.92Å; R270-D274 PolarHBondContact NH2-OD1 3.31Å; R270-D274 IonicContact NH2-OD2 3.63Å; D271-D274 PolarHBondContact O-N 3.16Å; D271-D274 PolarHBondContact OD1-N 3.03Å; D274-A277 PolarHBondContact O-N 3.43Å; D274-S278 WeakPolarHBondContact O-CB 3.4Å; D274-S278 PolarHBondContact O-N 2.74Å
275	L	95.8	Very high	91.5	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.021	36%	0.355	C	S	.	.	H	α-helix	trans	-61.7	-45.2	175	-77.8	160.6	0	0	0	111.5	P269 D271 C272 G273 S278 G279 Q280 Y286 V288 M303	P269-L275 HydrophobicContact CB-CD1 4.42Å; P269-L275 HydrophobicContact CB-CD2 4.15Å; P269-L275 HydrophobicContact CB-CG 3.72Å; P269-L275 HydrophobicContact CG-CD1 4.24Å; P269-L275 HydrophobicContact CG-CD2 3.81Å; P269-L275 HydrophobicContact CG-CG 3.79Å; D271-L275 PolarHBondContact O-N 3.41Å; C272-L275 PolarHBondContact O-N 3.45Å; G273-L275 VanDerWaalsContact C-N 3.31Å; G273-L275 PolarHBondContact O-N 2.91Å; L275-S278 PolarHBondContact O-N 3.17Å; L275-S278 PolarHBondContact O-OG 2.94Å; L275-G279 PolarHBondContact O-N 3.4Å; L275-Q280 HydrophobicContact CB-CB 4.41Å; L275-Q280 HydrophobicContact CB-CG 4.45Å; L275-Q280 HydrophobicContact CD2-CG 4.11Å; L275-Q280 WeakPolarHBondContact O-CB 3.28Å; L275-Q280 PolarHBondContact O-N 3.41Å; L275-Q280 VanDerWaalsContact O-N 3.13Å; L275-Y286 HydrophobicContact CD1-CD1 3.91Å; L275-Y286 HydrophobicContact CD1-CG 3.71Å; L275-Y286 HydrophobicContact CD2-CD1 3.91Å; L275-Y286 HydrophobicContact CD2-CE1 4.47Å; L275-Y286 HydrophobicContact CG-CD1 4.49Å; L275-V288 HydrophobicContact CD1-CG1 4.09Å; L275-M303 HydrophobicContact CB-CE 3.77Å
276	Y	96	Very high	93.5	Very high	58 Å²	58	55.3 Å²	55.3	23%	0.227	32%	0.316	C	S	.	.	H	α-helix	trans	-62.8	-44.8	175.9	-165.3	-89.4	0	0	0	111.4	C272 G273 S278 G279 R281 M303 G307	C272-Y276 WeakPolarHBondContact O-CB 3.39Å; C272-Y276 PolarHBondContact O-N 2.99Å; G273-Y276 PolarHBondContact O-N 2.78Å; Y276-S278 PolarHBondContact O-N 3.04Å; Y276-G279 PolarHBondContact O-N 2.73Å; Y276-R281 VanDerWaalsContact CE2-CD 3.48Å; Y276-R281 PolarHBondContact O-NH1 3.48Å; Y276-M303 HydrophobicContact CD2-CB 4.12Å; Y276-M303 HydrophobicContact CD2-CG 4.47Å; Y276-M303 HydrophobicContact CD2-SD 3.76Å; Y276-M303 HydrophobicContact CE2-CB 4.28Å; Y276-M303 WeakPolarHBondContact CE2-O 3.49Å; Y276-M303 HydrophobicContact CG-SD 4.46Å; Y276-G307 VanDerWaalsContact CE1-O 3.26Å; Y276-G307 WeakPolarHBondContact CE1-O 3.13Å; Y276-G307 PolarHBondContact OH-O 3.16Å; Y276-G307 VanDerWaalsContact OH-O 3.13Å
277	A	94.3	Very high	95.1	Very high	86 Å²	86	54.2 Å²	54.2	71%	0.711	30%	0.297	S	S	*	.	H	α-helix	trans	-60.1	-33.6	175.3	0	0	0	0	0	112.5	G273 D274 G279	G273-A277 WeakPolarHBondContact O-CB 3.3Å; G273-A277 PolarHBondContact O-N 3.43Å; D274-A277 PolarHBondContact O-N 3.43Å; A277-G279 PolarHBondContact O-N 2.82Å
278	S	93.3	Very high	96.1	Very high	73 Å²	73	51.6 Å²	51.6	51%	0.51	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-0.5	176.3	79.7	0	0	0	0	115.2	D274 L275 Y276	D274-S278 WeakPolarHBondContact O-CB 3.4Å; D274-S278 PolarHBondContact O-N 2.74Å; L275-S278 PolarHBondContact O-N 3.17Å; L275-S278 PolarHBondContact O-OG 2.94Å; Y276-S278 PolarHBondContact O-N 3.04Å
279	G	94.3	Very high	96.4	Very high	46 Å²	46	47.1 Å²	47.1	47%	0.474	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.8	3.6	177.9	0	0	0	0	0	115.1	L275 Y276 A277 R281	L275-G279 PolarHBondContact O-N 3.4Å; Y276-G279 PolarHBondContact O-N 2.73Å; A277-G279 PolarHBondContact O-N 2.82Å; G279-R281 VanDerWaalsContact C-NH1 3.3Å
280	Q	94.8	Very high	96.4	Very high	47 Å²	47	46.8 Å²	46.8	22%	0.22	26%	0.261	C	S	.	.			trans	-70.8	133.3	171.4	-57.7	-59.9	-40	0	0	109.9	L275 Y286 M303	L275-Q280 HydrophobicContact CB-CB 4.41Å; L275-Q280 HydrophobicContact CB-CG 4.45Å; L275-Q280 HydrophobicContact CD2-CG 4.11Å; L275-Q280 WeakPolarHBondContact O-CB 3.28Å; L275-Q280 PolarHBondContact O-N 3.41Å; L275-Q280 VanDerWaalsContact O-N 3.13Å; Q280-Y286 HydrophobicContact CB-CE1 4.37Å; Q280-Y286 HydrophobicContact CG-CE1 4.22Å; Q280-M303 HydrophobicContact CB-CE 4.26Å
281	R	95.4	Very high	96.3	Very high	123 Å²	123	45.7 Å²	45.7	46%	0.464	27%	0.265	S	S	.	.			trans	-134.1	-3.1	-174.3	-67.1	-66.6	178.9	-78.1	2.1	114.4	Y276 G279 M303	Y276-R281 VanDerWaalsContact CE2-CD 3.48Å; Y276-R281 PolarHBondContact O-NH1 3.48Å; G279-R281 VanDerWaalsContact C-NH1 3.3Å; R281-M303 WeakPolarHBondContact O-CB 3.14Å
282	E	97	Very high	95.9	Very high	118 Å²	118	52 Å²	52	55%	0.551	30%	0.295	S	S	*	.	S	Bend	trans	-95.4	136.8	-180	-72.6	176.4	-136	0	0	110	K261 Y286 M303	K261-E282 IonicContact NZ-OE1 2.69Å; K261-E282 PolarHBondContact NZ-OE1 2.87Å; K261-E282 IonicContact NZ-OE2 3.84Å; K261-E282 PolarHBondContact NZ-OE2 3.15Å; E282-Y286 WeakPolarHBondContact O-CE2 3.3Å; E282-Y286 PolarHBondContact O-OH 3.36Å; E282-M303 WeakPolarHBondContact O-CG 3.22Å
283	D	98	Very high	95.7	Very high	63 Å²	63	54.5 Å²	54.5	34%	0.337	31%	0.306	S	S	.	.			trans	-65.5	144.9	171	-59.8	-18	0	0	0	109.8	Y300 C301 M303 T304	D283-Y300 HydrophobicContact CB-CE1 4.3Å; D283-C301 WeakPolarHBondContact CA-O 2.95Å; D283-M303 WeakPolarHBondContact OD1-CA 3.3Å; D283-M303 WeakPolarHBondContact OD1-CB 3.47Å; D283-M303 PolarHBondContact OD1-N 3.27Å; D283-T304 PolarHBondContact OD1-N 3.24Å; D283-T304 WeakPolarHBondContact OD2-CG2 3.5Å; D283-T304 PolarHBondContact OD2-OG1 2.96Å; D283-T304 VanDerWaalsContact OD2-OG1 3.06Å
284	G	97	Very high	95.3	Very high	16 Å²	16	57.7 Å²	57.7	17%	0.165	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.2	-165.5	175.5	0	0	0	0	0	114.5	Y286 Y300 C301	G284-Y286 WeakPolarHBondContact O-CD2 3.41Å; G284-Y300 WeakPolarHBondContact O-CA 3.23Å; G284-C301 PolarHBondContact N-O 3.23Å; G284-C301 VanDerWaalsContact N-O 3.11Å; G284-C301 PolarHBondContact O-N 2.85Å
285	I	97.9	Very high	95.2	Very high	73 Å²	73	61 Å²	61	37%	0.374	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	128	-176.4	-50.2	175.6	0	0	0	110	Q298 V299 I337 T338	I285-Q298 HydrophobicContact CG2-CB 3.96Å; I285-Q298 HydrophobicContact CG2-CG 4.33Å; I285-V299 WeakPolarHBondContact CA-O 3.29Å; I285-I337 HydrophobicContact CG1-CG2 4.18Å; I285-I337 HydrophobicContact CG2-CG2 4.47Å; I285-T338 HydrophobicContact CD1-CG2 3.5Å; I285-T338 HydrophobicContact CG1-CG2 4.24Å
286	Y	96.8	Very high	95.1	Very high	13 Å²	13	61.4 Å²	61.4	5%	0.051	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	158.2	174.8	-66.5	-94.4	0	0	0	111	L275 Q280 E282 G284 Q298 V299 C301 M303	L275-Y286 HydrophobicContact CD1-CD1 3.91Å; L275-Y286 HydrophobicContact CD1-CG 3.71Å; L275-Y286 HydrophobicContact CD2-CD1 3.91Å; L275-Y286 HydrophobicContact CD2-CE1 4.47Å; L275-Y286 HydrophobicContact CG-CD1 4.49Å; Q280-Y286 HydrophobicContact CB-CE1 4.37Å; Q280-Y286 HydrophobicContact CG-CE1 4.22Å; E282-Y286 WeakPolarHBondContact O-CE2 3.3Å; E282-Y286 PolarHBondContact O-OH 3.36Å; G284-Y286 WeakPolarHBondContact O-CD2 3.41Å; Y286-Q298 CarbonylContact O-C 3.56Å; Y286-Q298 VanDerWaalsContact O-CA 3.28Å; Y286-Q298 WeakPolarHBondContact O-CA 3.5Å; Y286-V299 PolarHBondContact N-O 3Å; Y286-V299 PolarHBondContact O-N 3.37Å; Y286-C301 HydrophobicContact CD2-CB 3.66Å; Y286-C301 VanDerWaalsContact CD2-SG 3.56Å; Y286-C301 HydrophobicContact CE2-CB 4.09Å; Y286-M303 HydrophobicContact CD2-CE 4.28Å; Y286-M303 HydrophobicContact CE2-CE 4.02Å
287	S	96.9	Very high	95.2	Very high	51 Å²	51	60.2 Å²	60.2	36%	0.357	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	131.4	170	-65.1	0	0	0	0	109.9	F297	S287-F297 WeakPolarHBondContact CA-O 3.29Å
288	V	97.3	Very high	95.4	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	153.7	177.5	-63.2	0	0	0	0	110.3	P269 L275 G296 F297 V299	P269-V288 CarbonylContact O-C 3.54Å; P269-V288 WeakPolarHBondContact O-CA 3.42Å; L275-V288 HydrophobicContact CD1-CG1 4.09Å; V288-G296 CarbonylContact O-C 3.51Å; V288-G296 WeakPolarHBondContact O-CA 3.43Å; V288-F297 HydrophobicContact CG2-CD2 4.02Å; V288-F297 HydrophobicContact CG2-CE2 3.82Å; V288-F297 HydrophobicContact CG2-CZ 4.35Å; V288-F297 PolarHBondContact N-O 3.42Å; V288-F297 PolarHBondContact O-N 2.78Å; V288-V299 HydrophobicContact CB-CG2 4.4Å; V288-V299 HydrophobicContact CG1-CG2 3.63Å; V288-V299 HydrophobicContact CG2-CB 4.46Å; V288-V299 HydrophobicContact CG2-CG1 3.75Å; V288-V299 HydrophobicContact CG2-CG2 3.85Å
289	F	97.4	Very high	95.6	Very high	44 Å²	44	56.9 Å²	56.9	19%	0.193	31%	0.309	C	S	.	.			trans	-134.8	77.4	-172.7	-56.8	-88.3	0	0	0	110.1	R268 P269	R268-F289 HydrophobicContact CB-CB 4.21Å; R268-F289 HydrophobicContact CB-CD2 4.06Å; R268-F289 HydrophobicContact CB-CG 4.23Å; R268-F289 HydrophobicContact CG-CD2 4.49Å; P269-F289 PolarHBondContact O-N 2.77Å
290	P	96.7	Very high	95.8	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	30%	0.297	C	S	.	.			trans	-57.7	151.9	178.3	-24.1	34.4	0	0	0	112.5	H292 H293 F297 A350 L351	P290-H292 VanDerWaalsContact C-N 3.31Å; P290-H292 PolarHBondContact O-N 2.82Å; P290-H293 HydrophobicContact CB-CB 4.23Å; P290-H293 HydrophobicContact CG-CB 4.48Å; P290-H293 CarbonylContact O-C 3.51Å; P290-H293 PolarHBondContact O-N 3.33Å; P290-F297 HydrophobicContact CG-CE1 3.71Å; P290-F297 HydrophobicContact CG-CZ 3.71Å; P290-A350 HydrophobicContact CB-CB 4.34Å; P290-L351 HydrophobicContact CG-CD2 3.73Å; P290-L351 HydrophobicContact CG-CG 4.1Å
291	V	94.3	Very high	96	Very high	81 Å²	81	55 Å²	55	49%	0.491	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-46.8	-172.3	174.2	0	0	0	0	112.5	R270 Q354	R270-V291 HydrophobicContact CG-CG2 4.44Å; V291-Q354 HydrophobicContact CB-CB 4.09Å; V291-Q354 HydrophobicContact CG2-CB 3.91Å
292	H	90.6	Very high	96.1	Very high	134 Å²	134	49.5 Å²	49.5	62%	0.62	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	14.1	-179	-59.9	-62.5	0	0	0	113.5	P290 I353	P290-H292 VanDerWaalsContact C-N 3.31Å; P290-H292 PolarHBondContact O-N 2.82Å; H292-I353 HydrophobicContact CB-CD1 4.38Å
293	H	92.6	Very high	96.2	Very high	51 Å²	51	44.1 Å²	44.1	24%	0.236	24%	0.241	C	C	.	.			trans	-138	68.4	176.8	-164	-69.2	0	0	0	111	P290 T295 G296 F297 A350	P290-H293 HydrophobicContact CB-CB 4.23Å; P290-H293 HydrophobicContact CG-CB 4.48Å; P290-H293 CarbonylContact O-C 3.51Å; P290-H293 PolarHBondContact O-N 3.33Å; H293-T295 PolarHBondContact CE1-OG1 3.43Å; H293-T295 PolarHBondContact ND1-OG1 2.87Å; H293-T295 PolarHBondContact O-N 3.39Å; H293-T295 VanDerWaalsContact O-N 3.15Å; H293-G296 PolarHBondContact O-N 3.44Å; H293-F297 AromaticContact CE1-CD1 3.84Å; H293-F297 AromaticContact ND1-CD1 3.76Å; H293-A350 HydrophobicContact CB-CB 4.05Å
294	P	88.9	Confident	96.1	Very high	85 Å²	85	45.4 Å²	45.4	55%	0.552	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-17	-168	28.5	-36.8	0	0	0	114.2	R268 G296	R268-P294 PolarHBondContact NH2-O 3.42Å; P294-G296 PolarHBondContact O-N 3.39Å
295	T	93.4	Very high	96	Very high	113 Å²	113	46.3 Å²	46.3	69%	0.693	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-22.6	171.6	47.7	0	0	0	0	112.2	H293	H293-T295 PolarHBondContact CE1-OG1 3.43Å; H293-T295 PolarHBondContact ND1-OG1 2.87Å; H293-T295 PolarHBondContact O-N 3.39Å; H293-T295 VanDerWaalsContact O-N 3.15Å
296	G	95.3	Very high	95.8	Very high	14 Å²	14	47.2 Å²	47.2	14%	0.144	26%	0.259	C	S	.	.			trans	64.9	177.2	-176.2	0	0	0	0	0	113.8	V288 H293 P294	V288-G296 CarbonylContact O-C 3.51Å; V288-G296 WeakPolarHBondContact O-CA 3.43Å; H293-G296 PolarHBondContact O-N 3.44Å; P294-G296 PolarHBondContact O-N 3.39Å
297	F	97.2	Very high	95.7	Very high	32 Å²	32	48.2 Å²	48.2	14%	0.14	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	170.9	175.4	48	-93.7	0	0	0	110.1	S287 V288 P290 H293 V299 L343 Q347 L351	S287-F297 WeakPolarHBondContact CA-O 3.29Å; V288-F297 HydrophobicContact CG2-CD2 4.02Å; V288-F297 HydrophobicContact CG2-CE2 3.82Å; V288-F297 HydrophobicContact CG2-CZ 4.35Å; V288-F297 PolarHBondContact N-O 3.42Å; V288-F297 PolarHBondContact O-N 2.78Å; P290-F297 HydrophobicContact CG-CE1 3.71Å; P290-F297 HydrophobicContact CG-CZ 3.71Å; H293-F297 AromaticContact CE1-CD1 3.84Å; H293-F297 AromaticContact ND1-CD1 3.76Å; F297-V299 HydrophobicContact CD2-CG1 3.7Å; F297-V299 HydrophobicContact CE2-CG1 3.59Å; F297-L343 HydrophobicContact CD2-CD1 4.37Å; F297-L343 HydrophobicContact CE2-CD1 4.41Å; F297-L343 HydrophobicContact CE2-CD2 4.24Å; F297-Q347 HydrophobicContact CD1-CG 3.95Å; F297-Q347 HydrophobicContact CD2-CB 4.44Å; F297-Q347 HydrophobicContact CD2-CG 4.15Å; F297-Q347 HydrophobicContact CE1-CB 4.03Å; F297-Q347 HydrophobicContact CE1-CG 3.87Å; F297-Q347 HydrophobicContact CE2-CB 3.88Å; F297-Q347 HydrophobicContact CE2-CG 4.08Å; F297-Q347 HydrophobicContact CG-CG 4.09Å; F297-Q347 HydrophobicContact CZ-CB 3.65Å; F297-Q347 HydrophobicContact CZ-CG 3.93Å; F297-L351 HydrophobicContact CE2-CD1 4.07Å; F297-L351 HydrophobicContact CE2-CG 4.49Å; F297-L351 HydrophobicContact CZ-CD1 4Å; F297-L351 HydrophobicContact CZ-CD2 4.43Å; F297-L351 HydrophobicContact CZ-CG 3.99Å
298	Q	97.4	Very high	95.7	Very high	89 Å²	89	45.9 Å²	45.9	42%	0.416	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	144.8	176.9	-68.6	-175.7	-48.2	0	0	110.9	I285 Y286 I337	I285-Q298 HydrophobicContact CG2-CB 3.96Å; I285-Q298 HydrophobicContact CG2-CG 4.33Å; Y286-Q298 CarbonylContact O-C 3.56Å; Y286-Q298 VanDerWaalsContact O-CA 3.28Å; Y286-Q298 WeakPolarHBondContact O-CA 3.5Å; Q298-I337 HydrophobicContact CB-CD1 3.83Å; Q298-I337 WeakPolarHBondContact O-CD1 3.07Å
299	V	98.5	Very high	95.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	158.5	176.6	-64.3	0	0	0	0	110	I285 Y286 V288 F297 T311 L343	I285-V299 WeakPolarHBondContact CA-O 3.29Å; Y286-V299 PolarHBondContact N-O 3Å; Y286-V299 PolarHBondContact O-N 3.37Å; V288-V299 HydrophobicContact CB-CG2 4.4Å; V288-V299 HydrophobicContact CG1-CG2 3.63Å; V288-V299 HydrophobicContact CG2-CB 4.46Å; V288-V299 HydrophobicContact CG2-CG1 3.75Å; V288-V299 HydrophobicContact CG2-CG2 3.85Å; F297-V299 HydrophobicContact CD2-CG1 3.7Å; F297-V299 HydrophobicContact CE2-CG1 3.59Å; V299-T311 HydrophobicContact CB-CG2 3.85Å; V299-T311 HydrophobicContact CG1-CG2 3.8Å; V299-T311 HydrophobicContact CG2-CG2 4.01Å; V299-L343 HydrophobicContact CG1-CD1 3.97Å; V299-L343 HydrophobicContact CG1-CD2 4.11Å
300	Y	98.6	Very high	95.8	Very high	55 Å²	55	43.8 Å²	43.8	22%	0.216	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	125.5	165.1	-164.1	-82	0	0	0	108.2	D283 G284 V312 I337	D283-Y300 HydrophobicContact CB-CE1 4.3Å; G284-Y300 WeakPolarHBondContact O-CA 3.23Å; Y300-V312 HydrophobicContact CD1-CG2 3.91Å; Y300-V312 PolarHBondContact O-N 2.97Å; Y300-I337 HydrophobicContact CD2-CG2 4.45Å; Y300-I337 WeakPolarHBondContact CD2-O 3.44Å
301	C	98.6	Very high	95.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126.1	172.9	-62.5	0	0	0	0	110.1	C272 D283 G284 Y286 M303 W310	C272-C301 HydrophobicContact CB-CB 3.66Å; C272-C301 WeakPolarHBondContact CB-SG 3.11Å; C272-C301 WeakPolarHBondContact SG-CA 3.18Å; C272-C301 WeakPolarHBondContact SG-CB 3.5Å; C272-C301 CovalentContact SG-SG 2.03Å; C272-C301 PolarHBondContact SG-SG 3.32Å; D283-C301 WeakPolarHBondContact CA-O 2.95Å; G284-C301 PolarHBondContact N-O 3.23Å; G284-C301 VanDerWaalsContact N-O 3.11Å; G284-C301 PolarHBondContact O-N 2.85Å; Y286-C301 HydrophobicContact CD2-CB 3.66Å; Y286-C301 VanDerWaalsContact CD2-SG 3.56Å; Y286-C301 HydrophobicContact CE2-CB 4.09Å; C301-M303 HydrophobicContact CB-CE 3.39Å; C301-M303 HydrophobicContact CB-CG 4.32Å; C301-M303 HydrophobicContact CB-SD 3.95Å; C301-W310 VanDerWaalsContact CA-O 3.3Å; C301-W310 WeakPolarHBondContact CA-O 3.48Å
302	D	98.5	Very high	96.1	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.037	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	109.8	164.6	168.9	-4.2	0	0	0	108	T304 T305 G309 W310 V312 K481	D302-T304 PolarHBondContact OD1-N 2.84Å; D302-T304 PolarHBondContact OD1-OG1 3.4Å; D302-T304 VanDerWaalsContact OD1-OG1 3.12Å; D302-T305 PolarHBondContact OD1-N 2.75Å; D302-T305 PolarHBondContact OD1-OG1 2.92Å; D302-T305 WeakPolarHBondContact OD2-CB 3.39Å; D302-T305 PolarHBondContact OD2-OG1 3.48Å; D302-G309 PolarHBondContact O-N 2.92Å; D302-W310 HydrophobicContact CB-CB 4.07Å; D302-W310 PolarHBondContact N-O 3.49Å; D302-W310 PolarHBondContact O-N 3.33Å; D302-V312 HydrophobicContact CB-CG2 4.5Å; D302-K481 HydrophobicContact CB-CD 4.31Å; D302-K481 IonicContact OD2-NZ 3.99Å; D302-K481 PolarHBondContact OD2-NZ 2.9Å
303	M	98.1	Very high	96.5	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.025	20%	0.195	C	C	.	.			trans	-100.1	5	-179.4	-55.8	-55.6	-165	0	0	112.2	C272 L275 Y276 Q280 R281 E282 D283 Y286 C301 G308	C272-M303 HydrophobicContact CB-CE 4.46Å; L275-M303 HydrophobicContact CB-CE 3.77Å; Y276-M303 HydrophobicContact CD2-CB 4.12Å; Y276-M303 HydrophobicContact CD2-CG 4.47Å; Y276-M303 HydrophobicContact CD2-SD 3.76Å; Y276-M303 HydrophobicContact CE2-CB 4.28Å; Y276-M303 WeakPolarHBondContact CE2-O 3.49Å; Y276-M303 HydrophobicContact CG-SD 4.46Å; Q280-M303 HydrophobicContact CB-CE 4.26Å; R281-M303 WeakPolarHBondContact O-CB 3.14Å; E282-M303 WeakPolarHBondContact O-CG 3.22Å; D283-M303 WeakPolarHBondContact OD1-CA 3.3Å; D283-M303 WeakPolarHBondContact OD1-CB 3.47Å; D283-M303 PolarHBondContact OD1-N 3.27Å; Y286-M303 HydrophobicContact CD2-CE 4.28Å; Y286-M303 HydrophobicContact CE2-CE 4.02Å; C301-M303 HydrophobicContact CB-CE 3.39Å; C301-M303 HydrophobicContact CB-CG 4.32Å; C301-M303 HydrophobicContact CB-SD 3.95Å; M303-G308 WeakPolarHBondContact O-CA 3.42Å
304	T	97	Very high	96.8	Very high	90 Å²	90	31.1 Å²	31.1	55%	0.552	18%	0.184	S	C	*	.	S	Bend	trans	-112.1	-46.2	-173.6	52.9	0	0	0	0	112.8	D283 D302 D306	D283-T304 PolarHBondContact OD1-N 3.24Å; D283-T304 WeakPolarHBondContact OD2-CG2 3.5Å; D283-T304 PolarHBondContact OD2-OG1 2.96Å; D283-T304 VanDerWaalsContact OD2-OG1 3.06Å; D302-T304 PolarHBondContact OD1-N 2.84Å; D302-T304 PolarHBondContact OD1-OG1 3.4Å; D302-T304 VanDerWaalsContact OD1-OG1 3.12Å; T304-D306 PolarHBondContact O-N 3.41Å
305	T	95.1	Very high	97.3	Very high	34 Å²	34	27.7 Å²	27.7	21%	0.209	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-65.9	129.2	-173.1	-58.9	0	0	0	0	112	D302 G307 G308 W310 R360	D302-T305 PolarHBondContact OD1-N 2.75Å; D302-T305 PolarHBondContact OD1-OG1 2.92Å; D302-T305 WeakPolarHBondContact OD2-CB 3.39Å; D302-T305 PolarHBondContact OD2-OG1 3.48Å; T305-G307 PolarHBondContact O-N 3.2Å; T305-G307 VanDerWaalsContact O-N 3.11Å; T305-G308 PolarHBondContact O-N 3.39Å; T305-W310 PolarHBondContact O-NE1 3.35Å; T305-R360 VanDerWaalsContact CG2-NE 3.27Å
306	D	93.4	Very high	97.5	Very high	92 Å²	92	22.5 Å²	22.5	49%	0.492	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	47.9	43.3	174.4	-175	50.1	0	0	0	113.8	T304 W310 R483	T304-D306 PolarHBondContact O-N 3.41Å; D306-W310 HydrophobicContact CB-CZ2 4.46Å; D306-R483 PolarHBondContact O-NH1 3.12Å; D306-R483 IonicContact OD2-CZ 3.94Å; D306-R483 IonicContact OD2-NH2 3.93Å; D306-R483 PolarHBondContact OD2-NH2 2.95Å
307	G	94.2	Very high	97.7	Very high	35 Å²	35	25.2 Å²	25.2	36%	0.361	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	79.7	12.9	-178.5	0	0	0	0	0	115.2	Y276 T305	Y276-G307 VanDerWaalsContact CE1-O 3.26Å; Y276-G307 WeakPolarHBondContact CE1-O 3.13Å; Y276-G307 PolarHBondContact OH-O 3.16Å; Y276-G307 VanDerWaalsContact OH-O 3.13Å; T305-G307 PolarHBondContact O-N 3.2Å; T305-G307 VanDerWaalsContact O-N 3.11Å
308	G	97	Very high	97.7	Very high	1 Å²	1	27 Å²	27	1%	0.01	15%	0.147	C	C	.	.	S	Bend	trans	71	-176	164.7	0	0	0	0	0	116.2	M303 T305 R483	M303-G308 WeakPolarHBondContact O-CA 3.42Å; T305-G308 PolarHBondContact O-N 3.39Å; G308-R483 WeakPolarHBondContact O-CD 3.16Å; G308-R483 PolarHBondContact O-NH1 3.32Å
309	G	97.8	Very high	97.7	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.01	14%	0.144	C	C	.	.			trans	83.3	22.5	179.5	0	0	0	0	0	113.8	C272 G273 D302 R483	C272-G309 CarbonylContact C-O 3.57Å; G273-G309 PolarHBondContact N-O 2.82Å; D302-G309 PolarHBondContact O-N 2.92Å; G309-R483 WeakPolarHBondContact O-CG 3.41Å
310	W	98.6	Very high	97.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	134.5	179	-65.1	99	0	0	0	111.3	C272 C301 D302 T305 D306 E358 R360 K481 R483	C272-W310 WeakPolarHBondContact CB-O 3.09Å; C272-W310 PolarHBondContact SG-O 3.34Å; C301-W310 VanDerWaalsContact CA-O 3.3Å; C301-W310 WeakPolarHBondContact CA-O 3.48Å; D302-W310 HydrophobicContact CB-CB 4.07Å; D302-W310 PolarHBondContact N-O 3.49Å; D302-W310 PolarHBondContact O-N 3.33Å; T305-W310 PolarHBondContact O-NE1 3.35Å; D306-W310 HydrophobicContact CB-CZ2 4.46Å; W310-E358 HydrophobicContact CH2-CG 3.9Å; W310-E358 WeakPolarHBondContact CH2-OE1 3.26Å; W310-E358 HydrophobicContact CZ3-CG 4.05Å; W310-R360 HydrophobicContact CE3-CB 4.11Å; W310-R360 HydrophobicContact CH2-CB 3.55Å; W310-R360 HydrophobicContact CZ2-CB 4.04Å; W310-R360 HydrophobicContact CZ3-CB 3.57Å; W310-K481 HydrophobicContact CB-CB 4.04Å; W310-K481 HydrophobicContact CB-CD 3.64Å; W310-K481 HydrophobicContact CB-CG 3.9Å; W310-K481 HydrophobicContact CD2-CD 4.18Å; W310-K481 HydrophobicContact CD2-CG 3.98Å; W310-K481 HydrophobicContact CE3-CB 4.35Å; W310-K481 HydrophobicContact CE3-CD 4.48Å; W310-K481 HydrophobicContact CE3-CG 3.77Å; W310-K481 HydrophobicContact CG-CD 3.83Å; W310-K481 HydrophobicContact CG-CG 4.06Å; W310-R483 HydrophobicContact CD2-CB 3.89Å; W310-R483 HydrophobicContact CE3-CB 3.51Å; W310-R483 HydrophobicContact CH2-CB 4.26Å; W310-R483 VanDerWaalsContact CZ2-CZ 3.41Å; W310-R483 VanDerWaalsContact CZ2-NH2 3.27Å; W310-R483 HydrophobicContact CZ3-CB 3.72Å
311	T	98.8	Very high	97.7	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	113.7	170.1	-60.5	0	0	0	0	109.3	C272 V299 L351 K481 I482	C272-T311 VanDerWaalsContact CB-OG1 3.24Å; C272-T311 WeakPolarHBondContact CB-OG1 3.04Å; C272-T311 PolarHBondContact N-OG1 2.85Å; C272-T311 VanDerWaalsContact N-OG1 3.1Å; C272-T311 PolarHBondContact SG-OG1 3.42Å; V299-T311 HydrophobicContact CB-CG2 3.85Å; V299-T311 HydrophobicContact CG1-CG2 3.8Å; V299-T311 HydrophobicContact CG2-CG2 4.01Å; T311-L351 HydrophobicContact CG2-CD1 3.97Å; T311-K481 CarbonylContact O-C 3.51Å; T311-K481 VanDerWaalsContact O-CA 3.23Å; T311-K481 WeakPolarHBondContact O-CA 3.32Å; T311-K481 WeakPolarHBondContact O-CB 3.34Å; T311-I482 PolarHBondContact N-O 3.47Å; T311-I482 PolarHBondContact O-N 3.08Å
312	V	98.9	Very high	97.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	129.6	178.5	-179.4	0	0	0	0	110	Y300 D302 E479 K481	Y300-V312 HydrophobicContact CD1-CG2 3.91Å; Y300-V312 PolarHBondContact O-N 2.97Å; D302-V312 HydrophobicContact CB-CG2 4.5Å; V312-E479 HydrophobicContact CG1-CG 3.72Å; V312-E479 HydrophobicContact CG2-CG 4.2Å; V312-K481 HydrophobicContact CG2-CB 4.18Å
313	I	98.9	Very high	97.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-21.3	-178.4	62.9	168	0	0	0	113	L343 I348 L359 F378 M480 I482	I313-L343 HydrophobicContact CB-CB 4.39Å; I313-L343 HydrophobicContact CB-CD2 4.42Å; I313-L343 HydrophobicContact CG2-CD2 3.92Å; I313-L343 WeakPolarHBondContact O-CB 3.41Å; I313-L343 PolarHBondContact O-N 3.38Å; I313-I348 HydrophobicContact CB-CD1 4.02Å; I313-I348 HydrophobicContact CB-CG1 3.93Å; I313-I348 HydrophobicContact CD1-CD1 4.3Å; I313-I348 HydrophobicContact CD1-CG1 4.48Å; I313-I348 HydrophobicContact CD1-CG2 4.37Å; I313-I348 HydrophobicContact CG2-CG1 3.99Å; I313-L359 HydrophobicContact CD1-CD1 4.32Å; I313-F378 HydrophobicContact CD1-CE1 4.18Å; I313-F378 HydrophobicContact CD1-CZ 4.01Å; I313-M480 HydrophobicContact CD1-CB 4.2Å; I313-M480 HydrophobicContact CD1-CE 4.5Å; I313-M480 HydrophobicContact CG1-CB 3.76Å; I313-M480 VanDerWaalsContact CG1-O 3.29Å; I313-M480 WeakPolarHBondContact CG1-O 3.16Å; I313-M480 PolarHBondContact N-O 3.02Å; I313-I482 HydrophobicContact CD1-CG2 3.98Å; I313-I482 HydrophobicContact CG2-CD1 4.04Å; I313-I482 HydrophobicContact CG2-CG1 3.99Å
314	Q	98.9	Very high	97.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	141.2	176	-170.7	-95.7	37.9	0	0	109.5	F323 H341 W342 L447 N448 S478 E479 M480	Q314-F323 HydrophobicContact CG-CE1 4.21Å; Q314-H341 WeakPolarHBondContact CA-O 3.01Å; Q314-W342 HydrophobicContact CB-CE3 3.75Å; Q314-W342 HydrophobicContact CB-CZ3 3.95Å; Q314-W342 HydrophobicContact CG-CE3 3.66Å; Q314-W342 HydrophobicContact CG-CZ3 4.04Å; Q314-L447 PolarHBondContact NE2-O 3.24Å; Q314-L447 VanDerWaalsContact NE2-O 3.1Å; Q314-N448 PolarHBondContact NE2-OD1 3.19Å; Q314-S478 PolarHBondContact OE1-O 3.23Å; Q314-S478 PolarHBondContact OE1-OG 3.46Å; Q314-E479 WeakPolarHBondContact O-CA 3.4Å; Q314-M480 HydrophobicContact CB-CB 3.95Å; Q314-M480 HydrophobicContact CB-CG 4.05Å; Q314-M480 HydrophobicContact CB-SD 3.98Å; Q314-M480 HydrophobicContact CG-SD 4.36Å; Q314-M480 PolarHBondContact N-O 3.44Å; Q314-M480 PolarHBondContact O-N 3.43Å
315	R	98.9	Very high	97.8	Very high	13 Å²	13	33.3 Å²	33.3	5%	0.049	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	137.2	169.9	-173.4	-178.9	-64.8	140.6	-3.7	111.9	I337 E340 H341 F477 S478 E479	R315-I337 PolarHBondContact NH1-O 2.9Å; R315-I337 VanDerWaalsContact NH1-O 3.14Å; R315-E340 VanDerWaalsContact O-CA 3.29Å; R315-E340 WeakPolarHBondContact O-CA 3.44Å; R315-H341 PolarHBondContact N-O 2.92Å; R315-H341 PolarHBondContact O-N 2.85Å; R315-F477 HydrophobicContact CG-CE2 4.21Å; R315-S478 CarbonylContact C-O 3.5Å; R315-S478 WeakPolarHBondContact CA-O 3.46Å; R315-E479 IonicContact CZ-OE2 2.69Å; R315-E479 IonicContact NE-OE2 3.45Å; R315-E479 PolarHBondContact NE-OE2 2.87Å; R315-E479 IonicContact NH2-OE2 2.66Å; R315-E479 PolarHBondContact NH2-OE2 3.46Å
316	R	98.9	Very high	98	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.2	168.3	-48.3	-59.4	-61.7	-84.3	7.6	108.6	F323 E340 L447 G449 I463 F477 S478	R316-F323 VanDerWaalsContact CD-CE1 3.49Å; R316-F323 VanDerWaalsContact CD-CE2 3.43Å; R316-F323 VanDerWaalsContact CZ-CD2 3.42Å; R316-F323 VanDerWaalsContact NE-CD2 3.31Å; R316-F323 VanDerWaalsContact NE-CE2 3.27Å; R316-E340 WeakPolarHBondContact CA-OE1 3.13Å; R316-E340 IonicContact NE-OE1 2.86Å; R316-L447 WeakPolarHBondContact CG-O 3.32Å; R316-L447 PolarHBondContact NH1-O 3.15Å; R316-G449 PolarHBondContact NH1-O 2.85Å; R316-G449 PolarHBondContact NH2-O 3.07Å; R316-G449 VanDerWaalsContact NH2-O 3.14Å; R316-I463 HydrophobicContact CB-CD1 3.81Å; R316-I463 HydrophobicContact CG-CD1 3.95Å; R316-F477 VanDerWaalsContact O-CA 3.32Å; R316-F477 WeakPolarHBondContact O-CA 3.29Å; R316-F477 VanDerWaalsContact O-CD2 3.31Å; R316-F477 WeakPolarHBondContact O-CD2 3.42Å; R316-S478 WeakPolarHBondContact CB-OG 3.48Å; R316-S478 WeakPolarHBondContact CG-OG 3.03Å; R316-S478 PolarHBondContact N-O 2.85Å; R316-S478 PolarHBondContact O-N 3.5Å
317	E	98.2	Very high	98.2	Very high	72 Å²	72	29 Å²	29	34%	0.336	17%	0.167	S	C	.	.	S	Bend	trans	-152.9	-27.7	-176.1	70.8	-168.3	169	0	0	114.6	G339 E340 Y451 K476 F477	E317-G339 WeakPolarHBondContact OE1-CA 3.43Å; E317-E340 HydrophobicContact CG-CG 3.83Å; E317-E340 PolarHBondContact N-OE1 3.41Å; E317-E340 PolarHBondContact OE1-N 3.43Å; E317-Y451 PolarHBondContact O-OH 3.37Å; E317-K476 CarbonylContact C-O 3.52Å; E317-F477 HydrophobicContact CB-CD2 4Å
318	D	97.9	Very high	98.5	Very high	69 Å²	69	31.8 Å²	31.8	37%	0.369	17%	0.171	S	C	.	.	S	Bend	trans	-147.1	-9.2	-171.2	68	0.6	0	0	0	115.5	S320 E340	D318-S320 VanDerWaalsContact C-N 3.3Å; D318-S320 WeakPolarHBondContact OD1-CB 3.31Å; D318-S320 PolarHBondContact OD1-N 3.24Å; D318-S320 PolarHBondContact OD1-OG 3.41Å; D318-S320 PolarHBondContact OD2-OG 2.88Å; D318-E340 PolarHBondContact N-OE1 2.89Å; D318-E340 VanDerWaalsContact OD1-CD 3.26Å; D318-E340 WeakPolarHBondContact OD1-CG 3.15Å
319	G	97.9	Very high	98.5	Very high	33 Å²	33	33.6 Å²	33.6	34%	0.34	18%	0.183	S	C	.	.	S	Bend	trans	73.6	17.3	-176.3	0	0	0	0	0	114.3	V321 E340 Y451	G319-V321 VanDerWaalsContact C-N 3.26Å; G319-V321 PolarHBondContact O-N 2.89Å; G319-E340 WeakPolarHBondContact CA-OE2 3.39Å; G319-E340 VanDerWaalsContact N-CD 3.33Å; G319-E340 PolarHBondContact N-OE1 3.28Å; G319-E340 PolarHBondContact N-OE2 3.47Å; G319-Y451 VanDerWaalsContact CA-CG 3.44Å
320	S	98	Very high	98.6	Very high	82 Å²	82	33.5 Å²	33.5	57%	0.573	18%	0.183	S	C	*	.			trans	-70.2	-21.1	178.6	62.5	0	0	0	0	113.5	D318 E340	D318-S320 VanDerWaalsContact C-N 3.3Å; D318-S320 WeakPolarHBondContact OD1-CB 3.31Å; D318-S320 PolarHBondContact OD1-N 3.24Å; D318-S320 PolarHBondContact OD1-OG 3.41Å; D318-S320 PolarHBondContact OD2-OG 2.88Å; S320-E340 PolarHBondContact N-OE2 2.9Å; S320-E340 VanDerWaalsContact N-OE2 3.14Å
321	V	98.6	Very high	98.6	Very high	29 Å²	29	36 Å²	36	18%	0.176	19%	0.192	C	C	.	.	S	Bend	trans	-111.4	132.2	-179.4	177.3	0	0	0	0	110.5	G319 F323 F334 E340	G319-V321 VanDerWaalsContact C-N 3.26Å; G319-V321 PolarHBondContact O-N 2.89Å; V321-F323 HydrophobicContact CB-CD2 4.34Å; V321-F323 HydrophobicContact CB-CE2 3.96Å; V321-F323 HydrophobicContact CG1-CD2 4.12Å; V321-F323 HydrophobicContact CG1-CE2 3.86Å; V321-F323 WeakPolarHBondContact O-CD2 3.26Å; V321-F323 PolarHBondContact O-N 3.02Å; V321-F334 HydrophobicContact CG1-CD2 3.83Å; V321-F334 HydrophobicContact CG1-CE2 4.04Å; V321-E340 HydrophobicContact CB-CB 3.86Å; V321-E340 HydrophobicContact CG2-CB 3.76Å; V321-E340 PolarHBondContact N-OE2 3.24Å
322	N	98.4	Very high	98.6	Very high	93 Å²	93	39.8 Å²	39.8	50%	0.497	21%	0.21	S	C	.	.			trans	-75.9	113.8	172.9	177.1	15.3	0	0	0	110.8	F324 R325	N322-F324 PolarHBondContact OD1-N 2.93Å; N322-R325 VanDerWaalsContact O-CD 3.31Å; N322-R325 WeakPolarHBondContact O-CD 3.36Å; N322-R325 VanDerWaalsContact O-CG 3.22Å; N322-R325 WeakPolarHBondContact O-CG 3.48Å; N322-R325 PolarHBondContact O-NH1 3.4Å
323	F	98.8	Very high	98.6	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.013	22%	0.221	C	C	.	.			trans	-89.5	-11.6	175.1	-82.7	-112.6	0	0	0	113.8	Q314 R316 V321 R325 Y330 F334 E340 W342 N448	Q314-F323 HydrophobicContact CG-CE1 4.21Å; R316-F323 VanDerWaalsContact CD-CE1 3.49Å; R316-F323 VanDerWaalsContact CD-CE2 3.43Å; R316-F323 VanDerWaalsContact CZ-CD2 3.42Å; R316-F323 VanDerWaalsContact NE-CD2 3.31Å; R316-F323 VanDerWaalsContact NE-CE2 3.27Å; V321-F323 HydrophobicContact CB-CD2 4.34Å; V321-F323 HydrophobicContact CB-CE2 3.96Å; V321-F323 HydrophobicContact CG1-CD2 4.12Å; V321-F323 HydrophobicContact CG1-CE2 3.86Å; V321-F323 WeakPolarHBondContact O-CD2 3.26Å; V321-F323 PolarHBondContact O-N 3.02Å; F323-R325 PolarHBondContact O-N 3.3Å; F323-Y330 WeakPolarHBondContact O-CE2 3.34Å; F323-Y330 PolarHBondContact O-OH 3.26Å; F323-F334 HydrophobicContact CB-CZ 4.49Å; F323-F334 AromaticContact CD1-CE2 3.87Å; F323-F334 HydrophobicContact CD1-CE2 3.87Å; F323-F334 AromaticContact CD1-CZ 3.76Å; F323-F334 HydrophobicContact CD1-CZ 3.76Å; F323-F334 AromaticContact CD2-CE2 3.98Å; F323-F334 HydrophobicContact CD2-CE2 3.98Å; F323-F334 AromaticContact CE1-CE2 3.95Å; F323-F334 HydrophobicContact CE1-CE2 3.95Å; F323-F334 HydrophobicContact CE1-CZ 4.06Å; F323-F334 HydrophobicContact CE2-CE2 4.06Å; F323-F334 AromaticContact CG-CE2 3.88Å; F323-F334 HydrophobicContact CG-CE2 3.88Å; F323-F334 HydrophobicContact CG-CZ 4.05Å; F323-F334 HydrophobicContact CZ-CE2 4.04Å; F323-E340 HydrophobicContact CE2-CB 4.15Å; F323-W342 HydrophobicContact CE1-CB 4.25Å; F323-N448 WeakPolarHBondContact CB-O 3.24Å; F323-N448 HydrophobicContact CD1-CB 4.33Å
324	F	98.6	Very high	98.6	Very high	54 Å²	54	42 Å²	42	24%	0.237	23%	0.226	C	C	.	.			trans	-77	68	175.8	-171.4	-129.3	0	0	0	112.3	N322 K418 A430 H434	N322-F324 PolarHBondContact OD1-N 2.93Å; F324-K418 HydrophobicContact CD1-CD 4.22Å; F324-K418 HydrophobicContact CD2-CD 4.23Å; F324-K418 HydrophobicContact CE1-CD 3.8Å; F324-K418 HydrophobicContact CE2-CB 3.74Å; F324-K418 HydrophobicContact CE2-CD 3.8Å; F324-K418 HydrophobicContact CE2-CG 4.35Å; F324-K418 HydrophobicContact CG-CD 4.43Å; F324-K418 HydrophobicContact CZ-CB 3.83Å; F324-K418 HydrophobicContact CZ-CD 3.57Å; F324-K418 HydrophobicContact CZ-CG 4.36Å; F324-K418 PolarHBondContact O-NZ 3.5Å; F324-A430 WeakPolarHBondContact CE2-O 3.48Å; F324-H434 VanDerWaalsContact CD2-C 3.48Å; F324-H434 HydrophobicContact CD2-CB 4.47Å; F324-H434 AromaticContact CZ-ND1 3.99Å
325	R	98.6	Very high	98.5	Very high	84 Å²	84	44 Å²	44	32%	0.317	25%	0.247	S	C	.	.			trans	-110.6	163.9	-172	-52.6	-65	-98.8	-100.7	3.5	111.7	N322 F323 Y330 F334	N322-R325 VanDerWaalsContact O-CD 3.31Å; N322-R325 WeakPolarHBondContact O-CD 3.36Å; N322-R325 VanDerWaalsContact O-CG 3.22Å; N322-R325 WeakPolarHBondContact O-CG 3.48Å; N322-R325 PolarHBondContact O-NH1 3.4Å; F323-R325 PolarHBondContact O-N 3.3Å; R325-Y330 HydrophobicContact CB-CD2 4.16Å; R325-Y330 HydrophobicContact CB-CE2 3.92Å; R325-F334 HydrophobicContact CB-CE1 4.33Å; R325-F334 HydrophobicContact CG-CD1 4.46Å; R325-F334 HydrophobicContact CG-CE1 4.17Å; R325-F334 HydrophobicContact CG-CE2 4.36Å; R325-F334 HydrophobicContact CG-CZ 4.11Å
326	G	98.7	Very high	98.4	Very high	11 Å²	11	50.9 Å²	50.9	11%	0.113	28%	0.277	C	S	.	.			trans	-84.8	177.8	177.7	0	0	0	0	0	113.3	E328 S329 Y330 D419	G326-E328 PolarHBondContact O-N 3.21Å; G326-S329 PolarHBondContact O-N 2.87Å; G326-S329 VanDerWaalsContact O-N 3.16Å; G326-Y330 PolarHBondContact O-N 3.04Å; G326-D419 WeakPolarHBondContact CA-OD1 3.16Å; G326-D419 VanDerWaalsContact CA-OD2 3.23Å; G326-D419 WeakPolarHBondContact CA-OD2 3.35Å
327	W	98.8	Very high	98.3	Very high	25 Å²	25	52.6 Å²	52.6	10%	0.095	29%	0.286	C	S	.	.	H	α-helix	trans	-52.3	-51	-175.8	-179.5	-104.8	0	0	0	112.4	S329 Y330 R331 L345 Y392 F415 T417 D419 K420	W327-S329 VanDerWaalsContact C-N 3.26Å; W327-S329 PolarHBondContact O-N 2.95Å; W327-Y330 PolarHBondContact O-N 3.44Å; W327-Y330 VanDerWaalsContact O-N 3.12Å; W327-R331 WeakPolarHBondContact O-CB 3.3Å; W327-R331 PolarHBondContact O-N 3.43Å; W327-L345 HydrophobicContact CH2-CD1 4.44Å; W327-L345 HydrophobicContact CZ3-CD1 4.44Å; W327-Y392 AromaticContact CH2-CD2 3.74Å; W327-Y392 HydrophobicContact CH2-CD2 3.74Å; W327-Y392 HydrophobicContact CH2-CE2 4.31Å; W327-Y392 AromaticContact CZ2-CD2 3.77Å; W327-Y392 HydrophobicContact CZ2-CD2 3.77Å; W327-Y392 AromaticContact CZ2-CE2 3.86Å; W327-Y392 HydrophobicContact CZ2-CE2 3.86Å; W327-F415 HydrophobicContact CZ3-CB 4.15Å; W327-F415 HydrophobicContact CZ3-CD1 4.17Å; W327-F415 WeakPolarHBondContact CZ3-O 3.5Å; W327-T417 WeakPolarHBondContact CA-OG1 3.47Å; W327-T417 HydrophobicContact CE3-CG2 4.29Å; W327-T417 PolarHBondContact N-OG1 3.06Å; W327-D419 PolarHBondContact N-OD1 3.46Å; W327-D419 PolarHBondContact N-OD2 3.35Å; W327-D419 VanDerWaalsContact N-OD2 3.15Å; W327-K420 HydrophobicContact CB-CB 4.12Å; W327-K420 HydrophobicContact CD2-CB 4.23Å; W327-K420 HydrophobicContact CD2-CD 3.37Å; W327-K420 HydrophobicContact CD2-CG 4.4Å; W327-K420 HydrophobicContact CE3-CB 4.01Å; W327-K420 HydrophobicContact CE3-CD 3.52Å; W327-K420 HydrophobicContact CE3-CG 4.28Å; W327-K420 HydrophobicContact CG-CB 4.29Å; W327-K420 HydrophobicContact CG-CD 3.84Å; W327-K420 HydrophobicContact CH2-CD 4.03Å; W327-K420 HydrophobicContact CZ2-CD 3.91Å; W327-K420 VanDerWaalsContact CZ2-NZ 3.27Å; W327-K420 HydrophobicContact CZ3-CD 3.85Å
328	E	98.6	Very high	98.1	Very high	94 Å²	94	53.8 Å²	53.8	44%	0.439	30%	0.298	S	S	.	.	H	α-helix	trans	-57.2	-40.4	-177.6	-173.2	61.9	-155.5	0	0	112.2	G326 R331 E332	G326-E328 PolarHBondContact O-N 3.21Å; E328-R331 PolarHBondContact O-N 3.42Å; E328-R331 IonicContact OE1-CZ 2.7Å; E328-R331 IonicContact OE1-NE 2.76Å; E328-R331 IonicContact OE1-NH2 2.71Å; E328-R331 PolarHBondContact OE1-NH2 3.08Å; E328-R331 IonicContact OE2-CZ 3.27Å; E328-R331 IonicContact OE2-NE 3.22Å; E328-R331 PolarHBondContact OE2-NE 2.91Å; E328-R331 IonicContact OE2-NH1 2.68Å; E328-R331 PolarHBondContact OE2-NH1 3.36Å; E328-R331 IonicContact OE2-NH2 2.59Å; E328-R331 PolarHBondContact OE2-NH2 2.62Å; E328-E332 WeakPolarHBondContact O-CG 3.38Å; E328-E332 PolarHBondContact O-N 2.86Å; E328-E332 WeakPolarHBondContact OE1-CG 3.47Å
329	S	98.8	Very high	98.1	Very high	38 Å²	38	50.9 Å²	50.9	27%	0.266	29%	0.285	S	S	.	.	H	α-helix	trans	-67.7	-43.9	178.6	-60.8	0	0	0	0	111.6	G326 W327 R331 G333 F334	G326-S329 PolarHBondContact O-N 2.87Å; G326-S329 VanDerWaalsContact O-N 3.16Å; W327-S329 VanDerWaalsContact C-N 3.26Å; W327-S329 PolarHBondContact O-N 2.95Å; S329-R331 VanDerWaalsContact C-N 3.28Å; S329-R331 PolarHBondContact O-N 2.95Å; S329-G333 CarbonylContact O-C 3.31Å; S329-G333 WeakPolarHBondContact O-CA 3.45Å; S329-G333 PolarHBondContact O-N 3.39Å; S329-F334 WeakPolarHBondContact O-CD1 3.34Å
330	Y	98.9	Very high	98.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-69	-29.1	177	-87.1	-78.7	0	0	0	112.7	F323 R325 G326 W327 F334 W342 G344 L345 F415 T417 A436 N448	F323-Y330 WeakPolarHBondContact O-CE2 3.34Å; F323-Y330 PolarHBondContact O-OH 3.26Å; R325-Y330 HydrophobicContact CB-CD2 4.16Å; R325-Y330 HydrophobicContact CB-CE2 3.92Å; G326-Y330 PolarHBondContact O-N 3.04Å; W327-Y330 PolarHBondContact O-N 3.44Å; W327-Y330 VanDerWaalsContact O-N 3.12Å; Y330-F334 AromaticContact CD1-CE1 3.99Å; Y330-F334 HydrophobicContact CD1-CE1 3.99Å; Y330-F334 HydrophobicContact CD2-CE1 4.15Å; Y330-F334 AromaticContact CE1-CE1 3.85Å; Y330-F334 HydrophobicContact CE1-CE1 3.85Å; Y330-F334 AromaticContact CE1-CZ 3.93Å; Y330-F334 HydrophobicContact CE1-CZ 3.93Å; Y330-F334 HydrophobicContact CE2-CE1 4.02Å; Y330-F334 HydrophobicContact CE2-CZ 4.21Å; Y330-F334 HydrophobicContact CG-CE1 4.13Å; Y330-F334 AromaticContact CZ-CE1 3.86Å; Y330-F334 AromaticContact CZ-CZ 3.75Å; Y330-W342 AromaticContact CD1-CD1 3.67Å; Y330-W342 AromaticContact CD1-CD2 3.95Å; Y330-W342 HydrophobicContact CD1-CD2 3.95Å; Y330-W342 AromaticContact CD1-CE2 3.72Å; Y330-W342 AromaticContact CD1-CG 3.93Å; Y330-W342 HydrophobicContact CD1-CG 3.93Å; Y330-W342 HydrophobicContact CD1-CZ2 4.31Å; Y330-W342 AromaticContact CD1-NE1 3.54Å; Y330-W342 HydrophobicContact CE1-CD2 4.05Å; Y330-W342 HydrophobicContact CE1-CG 4.08Å; Y330-W342 PolarHBondContact O-NE1 2.9Å; Y330-G344 WeakPolarHBondContact O-CA 3.48Å; Y330-L345 WeakPolarHBondContact O-CG 3.41Å; Y330-L345 PolarHBondContact O-N 3.32Å; Y330-F415 AromaticContact CD1-CE1 3.67Å; Y330-F415 HydrophobicContact CD1-CE1 3.67Å; Y330-F415 AromaticContact CD1-CZ 3.57Å; Y330-F415 HydrophobicContact CD1-CZ 3.57Å; Y330-F415 HydrophobicContact CD2-CE1 4.32Å; Y330-F415 HydrophobicContact CE1-CE1 4.34Å; Y330-F415 AromaticContact CE1-CZ 3.95Å; Y330-F415 HydrophobicContact CE1-CZ 3.95Å; Y330-F415 AromaticContact CG-CE1 3.66Å; Y330-F415 HydrophobicContact CG-CE1 3.66Å; Y330-F415 HydrophobicContact CG-CZ 4.07Å; Y330-T417 HydrophobicContact CD2-CG2 3.69Å; Y330-T417 HydrophobicContact CE2-CG2 4.46Å; Y330-T417 HydrophobicContact CG-CG2 4.16Å; Y330-A436 HydrophobicContact CD1-CB 4.28Å; Y330-A436 HydrophobicContact CD2-CB 3.64Å; Y330-A436 HydrophobicContact CE1-CB 3.95Å; Y330-A436 HydrophobicContact CE2-CB 3.21Å; Y330-A436 HydrophobicContact CG-CB 4.15Å; Y330-N448 WeakPolarHBondContact OH-CB 3.32Å
331	R	98.6	Very high	98.2	Very high	52 Å²	52	45.7 Å²	45.7	20%	0.196	24%	0.243	C	C	.	.	H	α-helix	trans	-67.3	-51.3	174.5	-173.4	-177.9	75.7	-176.2	3.1	112.2	W327 E328 S329 G344 L345 K346 D388 Y392	W327-R331 WeakPolarHBondContact O-CB 3.3Å; W327-R331 PolarHBondContact O-N 3.43Å; E328-R331 PolarHBondContact O-N 3.42Å; E328-R331 IonicContact OE1-CZ 2.7Å; E328-R331 IonicContact OE1-NE 2.76Å; E328-R331 IonicContact OE1-NH2 2.71Å; E328-R331 PolarHBondContact OE1-NH2 3.08Å; E328-R331 IonicContact OE2-CZ 3.27Å; E328-R331 IonicContact OE2-NE 3.22Å; E328-R331 PolarHBondContact OE2-NE 2.91Å; E328-R331 IonicContact OE2-NH1 2.68Å; E328-R331 PolarHBondContact OE2-NH1 3.36Å; E328-R331 IonicContact OE2-NH2 2.59Å; E328-R331 PolarHBondContact OE2-NH2 2.62Å; S329-R331 VanDerWaalsContact C-N 3.28Å; S329-R331 PolarHBondContact O-N 2.95Å; R331-G344 CarbonylContact O-C 3.51Å; R331-L345 PolarHBondContact O-N 3.04Å; R331-L345 VanDerWaalsContact O-N 3.15Å; R331-K346 HydrophobicContact CG-CD 3.89Å; R331-K346 HydrophobicContact CG-CG 3.82Å; R331-K346 PolarHBondContact O-N 3Å; R331-K346 VanDerWaalsContact O-N 3.17Å; R331-D388 WeakPolarHBondContact CD-OD1 3.36Å; R331-Y392 HydrophobicContact CG-CE2 4.42Å
332	E	98.4	Very high	98.2	Very high	79 Å²	79	44.4 Å²	44.4	37%	0.369	24%	0.235	S	C	.	.	H	α-helix	trans	-87.8	-22.4	-172.9	-59.9	-57	142.6	0	0	114.1	E328 K346	E328-E332 WeakPolarHBondContact O-CG 3.38Å; E328-E332 PolarHBondContact O-N 2.86Å; E328-E332 WeakPolarHBondContact OE1-CG 3.47Å; E332-K346 IonicContact OE1-NZ 2.79Å; E332-K346 PolarHBondContact OE1-NZ 3.36Å
333	G	98.6	Very high	98.2	Very high	24 Å²	24	40.7 Å²	40.7	25%	0.247	22%	0.215	C	C	.	.			trans	97	156.4	-174	0	0	0	0	0	113.4	S329 W342	S329-G333 CarbonylContact O-C 3.31Å; S329-G333 WeakPolarHBondContact O-CA 3.45Å; S329-G333 PolarHBondContact O-N 3.39Å; G333-W342 CarbonylContact C-O 3.59Å; G333-W342 WeakPolarHBondContact CA-O 3.41Å
334	F	98.9	Very high	98.2	Very high	23 Å²	23	40.6 Å²	40.6	10%	0.101	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	167.7	178.5	60.5	-94.3	0	0	0	112.2	V321 F323 R325 S329 Y330 H341 W342	V321-F334 HydrophobicContact CG1-CD2 3.83Å; V321-F334 HydrophobicContact CG1-CE2 4.04Å; F323-F334 HydrophobicContact CB-CZ 4.49Å; F323-F334 AromaticContact CD1-CE2 3.87Å; F323-F334 HydrophobicContact CD1-CE2 3.87Å; F323-F334 AromaticContact CD1-CZ 3.76Å; F323-F334 HydrophobicContact CD1-CZ 3.76Å; F323-F334 AromaticContact CD2-CE2 3.98Å; F323-F334 HydrophobicContact CD2-CE2 3.98Å; F323-F334 AromaticContact CE1-CE2 3.95Å; F323-F334 HydrophobicContact CE1-CE2 3.95Å; F323-F334 HydrophobicContact CE1-CZ 4.06Å; F323-F334 HydrophobicContact CE2-CE2 4.06Å; F323-F334 AromaticContact CG-CE2 3.88Å; F323-F334 HydrophobicContact CG-CE2 3.88Å; F323-F334 HydrophobicContact CG-CZ 4.05Å; F323-F334 HydrophobicContact CZ-CE2 4.04Å; R325-F334 HydrophobicContact CB-CE1 4.33Å; R325-F334 HydrophobicContact CG-CD1 4.46Å; R325-F334 HydrophobicContact CG-CE1 4.17Å; R325-F334 HydrophobicContact CG-CE2 4.36Å; R325-F334 HydrophobicContact CG-CZ 4.11Å; S329-F334 WeakPolarHBondContact O-CD1 3.34Å; Y330-F334 AromaticContact CD1-CE1 3.99Å; Y330-F334 HydrophobicContact CD1-CE1 3.99Å; Y330-F334 HydrophobicContact CD2-CE1 4.15Å; Y330-F334 AromaticContact CE1-CE1 3.85Å; Y330-F334 HydrophobicContact CE1-CE1 3.85Å; Y330-F334 AromaticContact CE1-CZ 3.93Å; Y330-F334 HydrophobicContact CE1-CZ 3.93Å; Y330-F334 HydrophobicContact CE2-CE1 4.02Å; Y330-F334 HydrophobicContact CE2-CZ 4.21Å; Y330-F334 HydrophobicContact CG-CE1 4.13Å; Y330-F334 AromaticContact CZ-CE1 3.86Å; Y330-F334 AromaticContact CZ-CZ 3.75Å; F334-H341 VanDerWaalsContact O-CA 3.28Å; F334-H341 WeakPolarHBondContact O-CA 3.41Å; F334-H341 VanDerWaalsContact O-CB 3.3Å; F334-H341 WeakPolarHBondContact O-CB 3.38Å; F334-W342 HydrophobicContact CD1-CB 4.09Å; F334-W342 HydrophobicContact CD2-CB 4.49Å; F334-W342 HydrophobicContact CE1-CB 3.69Å; F334-W342 HydrophobicContact CE1-CG 4.07Å; F334-W342 HydrophobicContact CE2-CB 4.11Å; F334-W342 HydrophobicContact CG-CB 4.48Å; F334-W342 HydrophobicContact CZ-CB 3.7Å; F334-W342 HydrophobicContact CZ-CG 4.41Å; F334-W342 PolarHBondContact N-O 3.22Å; F334-W342 PolarHBondContact O-N 3.48Å
335	G	98.3	Very high	98.2	Very high	42 Å²	42	38 Å²	38	43%	0.433	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	89.7	-159.4	-177.1	0	0	0	0	0	112	E340	G335-E340 WeakPolarHBondContact CA-O 3.22Å
336	K	97	Very high	98.2	Very high	157 Å²	157	37 Å²	37	68%	0.683	20%	0.201	S	C	*	.			trans	-128.3	129.5	178.1	-67.1	-179.9	-177.1	173.6	0	109.6	T338 G339 E340	K336-T338 PolarHBondContact O-N 3.38Å; K336-G339 CarbonylContact O-C 3.45Å; K336-G339 VanDerWaalsContact O-C 3.31Å; K336-G339 PolarHBondContact O-N 3.45Å; K336-G339 VanDerWaalsContact O-O 3.13Å; K336-E340 PolarHBondContact N-O 2.9Å
337	I	95.3	Very high	98.2	Very high	40 Å²	40	37.6 Å²	37.6	21%	0.205	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-24.6	-178.3	-64.8	168.2	0	0	0	112.9	I285 Q298 Y300 R315 G339	I285-I337 HydrophobicContact CG1-CG2 4.18Å; I285-I337 HydrophobicContact CG2-CG2 4.47Å; Q298-I337 HydrophobicContact CB-CD1 3.83Å; Q298-I337 WeakPolarHBondContact O-CD1 3.07Å; Y300-I337 HydrophobicContact CD2-CG2 4.45Å; Y300-I337 WeakPolarHBondContact CD2-O 3.44Å; R315-I337 PolarHBondContact NH1-O 2.9Å; R315-I337 VanDerWaalsContact NH1-O 3.14Å; I337-G339 VanDerWaalsContact C-N 3.31Å
338	T	95	Very high	98.2	Very high	97 Å²	97	36.4 Å²	36.4	60%	0.595	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-5.8	175.4	54.3	0	0	0	0	114.9	I285 K336	I285-T338 HydrophobicContact CD1-CG2 3.5Å; I285-T338 HydrophobicContact CG1-CG2 4.24Å; K336-T338 PolarHBondContact O-N 3.38Å
339	G	96.8	Very high	98.2	Very high	9 Å²	9	33.1 Å²	33.1	9%	0.093	18%	0.181	C	C	.	.	S	Bend	trans	-153.1	-137.5	179.6	0	0	0	0	0	110.9	E317 K336 I337 H341	E317-G339 WeakPolarHBondContact OE1-CA 3.43Å; K336-G339 CarbonylContact O-C 3.45Å; K336-G339 VanDerWaalsContact O-C 3.31Å; K336-G339 PolarHBondContact O-N 3.45Å; K336-G339 VanDerWaalsContact O-O 3.13Å; I337-G339 VanDerWaalsContact C-N 3.31Å; G339-H341 PolarHBondContact O-N 2.95Å; G339-H341 PolarHBondContact O-ND1 3.03Å
340	E	98.8	Very high	98.1	Very high	3 Å²	3	31.6 Å²	31.6	1%	0.014	17%	0.171	C	C	.	.	S	Bend	trans	-64.1	126.8	176.8	-61.1	-160.7	142.2	0	0	112.8	R315 R316 E317 D318 G319 S320 V321 F323 G335 K336	R315-E340 VanDerWaalsContact O-CA 3.29Å; R315-E340 WeakPolarHBondContact O-CA 3.44Å; R316-E340 WeakPolarHBondContact CA-OE1 3.13Å; R316-E340 IonicContact NE-OE1 2.86Å; E317-E340 HydrophobicContact CG-CG 3.83Å; E317-E340 PolarHBondContact N-OE1 3.41Å; E317-E340 PolarHBondContact OE1-N 3.43Å; D318-E340 PolarHBondContact N-OE1 2.89Å; D318-E340 VanDerWaalsContact OD1-CD 3.26Å; D318-E340 WeakPolarHBondContact OD1-CG 3.15Å; G319-E340 WeakPolarHBondContact CA-OE2 3.39Å; G319-E340 VanDerWaalsContact N-CD 3.33Å; G319-E340 PolarHBondContact N-OE1 3.28Å; G319-E340 PolarHBondContact N-OE2 3.47Å; S320-E340 PolarHBondContact N-OE2 2.9Å; S320-E340 VanDerWaalsContact N-OE2 3.14Å; V321-E340 HydrophobicContact CB-CB 3.86Å; V321-E340 HydrophobicContact CG2-CB 3.76Å; V321-E340 PolarHBondContact N-OE2 3.24Å; F323-E340 HydrophobicContact CE2-CB 4.15Å; G335-E340 WeakPolarHBondContact CA-O 3.22Å; K336-E340 PolarHBondContact N-O 2.9Å
341	H	98.9	Very high	98.1	Very high	3 Å²	3	31.6 Å²	31.6	1%	0.014	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	162.9	177.8	67.2	-72.6	0	0	0	113	Q314 R315 F334 G339	Q314-H341 WeakPolarHBondContact CA-O 3.01Å; R315-H341 PolarHBondContact N-O 2.92Å; R315-H341 PolarHBondContact O-N 2.85Å; F334-H341 VanDerWaalsContact O-CA 3.28Å; F334-H341 WeakPolarHBondContact O-CA 3.41Å; F334-H341 VanDerWaalsContact O-CB 3.3Å; F334-H341 WeakPolarHBondContact O-CB 3.38Å; G339-H341 PolarHBondContact O-N 2.95Å; G339-H341 PolarHBondContact O-ND1 3.03Å
342	W	98.9	Very high	98.1	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.008	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.3	163.5	174	-103.7	0	0	0	107.6	Q314 F323 Y330 G333 F334 G344 L345 I348 F415 W438	Q314-W342 HydrophobicContact CB-CE3 3.75Å; Q314-W342 HydrophobicContact CB-CZ3 3.95Å; Q314-W342 HydrophobicContact CG-CE3 3.66Å; Q314-W342 HydrophobicContact CG-CZ3 4.04Å; F323-W342 HydrophobicContact CE1-CB 4.25Å; Y330-W342 AromaticContact CD1-CD1 3.67Å; Y330-W342 AromaticContact CD1-CD2 3.95Å; Y330-W342 HydrophobicContact CD1-CD2 3.95Å; Y330-W342 AromaticContact CD1-CE2 3.72Å; Y330-W342 AromaticContact CD1-CG 3.93Å; Y330-W342 HydrophobicContact CD1-CG 3.93Å; Y330-W342 HydrophobicContact CD1-CZ2 4.31Å; Y330-W342 AromaticContact CD1-NE1 3.54Å; Y330-W342 HydrophobicContact CE1-CD2 4.05Å; Y330-W342 HydrophobicContact CE1-CG 4.08Å; Y330-W342 PolarHBondContact O-NE1 2.9Å; G333-W342 CarbonylContact C-O 3.59Å; G333-W342 WeakPolarHBondContact CA-O 3.41Å; F334-W342 HydrophobicContact CD1-CB 4.09Å; F334-W342 HydrophobicContact CD2-CB 4.49Å; F334-W342 HydrophobicContact CE1-CB 3.69Å; F334-W342 HydrophobicContact CE1-CG 4.07Å; F334-W342 HydrophobicContact CE2-CB 4.11Å; F334-W342 HydrophobicContact CG-CB 4.48Å; F334-W342 HydrophobicContact CZ-CB 3.7Å; F334-W342 HydrophobicContact CZ-CG 4.41Å; F334-W342 PolarHBondContact N-O 3.22Å; F334-W342 PolarHBondContact O-N 3.48Å; W342-G344 VanDerWaalsContact C-N 3.26Å; W342-G344 VanDerWaalsContact CD1-N 3.33Å; W342-G344 PolarHBondContact O-N 2.96Å; W342-L345 HydrophobicContact CZ2-CD2 3.79Å; W342-L345 HydrophobicContact CZ2-CG 4.04Å; W342-I348 HydrophobicContact CH2-CD1 3.71Å; W342-I348 HydrophobicContact CZ2-CD1 3.5Å; W342-I348 VanDerWaalsContact CZ2-CD1 3.5Å; W342-I348 HydrophobicContact CZ3-CD1 4.31Å; W342-F415 HydrophobicContact CH2-CE2 4.37Å; W342-F415 HydrophobicContact CZ2-CE2 4.39Å; W342-F415 HydrophobicContact CZ2-CZ 4.4Å; W342-W438 HydrophobicContact CH2-CH2 4.06Å
343	L	98.8	Very high	98	Very high	15 Å²	15	27.9 Å²	27.9	8%	0.079	16%	0.157	C	C	.	.			trans	-65.8	-29.8	-173.2	-176.9	63.8	0	0	0	113	F297 V299 I313 Q347 I348 L351	F297-L343 HydrophobicContact CD2-CD1 4.37Å; F297-L343 HydrophobicContact CE2-CD1 4.41Å; F297-L343 HydrophobicContact CE2-CD2 4.24Å; V299-L343 HydrophobicContact CG1-CD1 3.97Å; V299-L343 HydrophobicContact CG1-CD2 4.11Å; I313-L343 HydrophobicContact CB-CB 4.39Å; I313-L343 HydrophobicContact CB-CD2 4.42Å; I313-L343 HydrophobicContact CG2-CD2 3.92Å; I313-L343 WeakPolarHBondContact O-CB 3.41Å; I313-L343 PolarHBondContact O-N 3.38Å; L343-Q347 HydrophobicContact CD2-CB 4.17Å; L343-Q347 HydrophobicContact CG-CB 3.86Å; L343-Q347 PolarHBondContact O-OE1 2.66Å; L343-I348 HydrophobicContact CB-CG1 4.39Å; L343-I348 HydrophobicContact CD2-CG1 4.38Å; L343-L351 HydrophobicContact CD2-CD1 3.84Å
344	G	98.8	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.			trans	110.3	136.4	-177.5	0	0	0	0	0	112.5	Y330 R331 W342 K346 Q347 I348	Y330-G344 WeakPolarHBondContact O-CA 3.48Å; R331-G344 CarbonylContact O-C 3.51Å; W342-G344 VanDerWaalsContact C-N 3.26Å; W342-G344 VanDerWaalsContact CD1-N 3.33Å; W342-G344 PolarHBondContact O-N 2.96Å; G344-K346 VanDerWaalsContact C-N 3.27Å; G344-K346 PolarHBondContact O-N 2.99Å; G344-Q347 VanDerWaalsContact CA-OE1 3.27Å; G344-Q347 PolarHBondContact O-N 3.47Å; G344-Q347 PolarHBondContact O-OE1 3.19Å; G344-I348 WeakPolarHBondContact O-CD1 3.11Å; G344-I348 VanDerWaalsContact O-CG1 3.23Å; G344-I348 WeakPolarHBondContact O-CG1 3.42Å; G344-I348 PolarHBondContact O-N 3.19Å
345	L	98.9	Very high	97.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.9	-35.7	-177.9	-71.3	162.8	0	0	0	111.8	W327 Y330 R331 W342 Q347 I348 H349 V380 Y392 F415 W438	W327-L345 HydrophobicContact CH2-CD1 4.44Å; W327-L345 HydrophobicContact CZ3-CD1 4.44Å; Y330-L345 WeakPolarHBondContact O-CG 3.41Å; Y330-L345 PolarHBondContact O-N 3.32Å; R331-L345 PolarHBondContact O-N 3.04Å; R331-L345 VanDerWaalsContact O-N 3.15Å; W342-L345 HydrophobicContact CZ2-CD2 3.79Å; W342-L345 HydrophobicContact CZ2-CG 4.04Å; L345-Q347 VanDerWaalsContact C-N 3.34Å; L345-Q347 PolarHBondContact O-N 2.98Å; L345-I348 PolarHBondContact O-N 3.01Å; L345-H349 WeakPolarHBondContact O-CB 3.13Å; L345-H349 PolarHBondContact O-N 3.35Å; L345-V380 HydrophobicContact CD2-CG1 4.24Å; L345-Y392 HydrophobicContact CB-CD1 3.85Å; L345-Y392 HydrophobicContact CB-CD2 3.93Å; L345-Y392 HydrophobicContact CB-CE1 3.95Å; L345-Y392 HydrophobicContact CB-CE2 4.05Å; L345-Y392 HydrophobicContact CB-CG 3.84Å; L345-Y392 HydrophobicContact CD1-CD2 3.85Å; L345-Y392 HydrophobicContact CD1-CE2 4.4Å; L345-Y392 HydrophobicContact CD1-CG 4.19Å; L345-Y392 HydrophobicContact CD2-CG 4.27Å; L345-Y392 HydrophobicContact CG-CD2 4.39Å; L345-Y392 HydrophobicContact CG-CG 4.33Å; L345-F415 HydrophobicContact CD1-CB 4.25Å; L345-F415 HydrophobicContact CD1-CD1 3.72Å; L345-F415 HydrophobicContact CD1-CE1 4.17Å; L345-F415 HydrophobicContact CD1-CG 3.94Å; L345-F415 HydrophobicContact CD2-CD2 4.11Å; L345-F415 HydrophobicContact CD2-CE2 4.44Å; L345-F415 HydrophobicContact CD2-CG 4.2Å; L345-W438 HydrophobicContact CD2-CZ2 4.15Å
346	K	98.3	Very high	97.6	Very high	62 Å²	62	32.8 Å²	32.8	27%	0.27	18%	0.176	S	C	.	.	H	α-helix	trans	-60.4	-44.3	175.8	-80.3	-179.6	171.7	167.6	0	112.1	R331 E332 G344 A350 D388 Y392	R331-K346 HydrophobicContact CG-CD 3.89Å; R331-K346 HydrophobicContact CG-CG 3.82Å; R331-K346 PolarHBondContact O-N 3Å; R331-K346 VanDerWaalsContact O-N 3.17Å; E332-K346 IonicContact OE1-NZ 2.79Å; E332-K346 PolarHBondContact OE1-NZ 3.36Å; G344-K346 VanDerWaalsContact C-N 3.27Å; G344-K346 PolarHBondContact O-N 2.99Å; K346-A350 WeakPolarHBondContact O-CB 3.32Å; K346-A350 PolarHBondContact O-N 2.96Å; K346-D388 WeakPolarHBondContact CE-OD2 3.28Å; K346-Y392 WeakPolarHBondContact CG-OH 3.42Å
347	Q	98.5	Very high	97.6	Very high	24 Å²	24	25.6 Å²	25.6	11%	0.112	14%	0.144	C	C	.	.	H	α-helix	trans	-70.8	-42.9	-179.4	-67.7	73.5	18.1	0	0	110.8	F297 L343 G344 L345 A350 L351	F297-Q347 HydrophobicContact CD1-CG 3.95Å; F297-Q347 HydrophobicContact CD2-CB 4.44Å; F297-Q347 HydrophobicContact CD2-CG 4.15Å; F297-Q347 HydrophobicContact CE1-CB 4.03Å; F297-Q347 HydrophobicContact CE1-CG 3.87Å; F297-Q347 HydrophobicContact CE2-CB 3.88Å; F297-Q347 HydrophobicContact CE2-CG 4.08Å; F297-Q347 HydrophobicContact CG-CG 4.09Å; F297-Q347 HydrophobicContact CZ-CB 3.65Å; F297-Q347 HydrophobicContact CZ-CG 3.93Å; L343-Q347 HydrophobicContact CD2-CB 4.17Å; L343-Q347 HydrophobicContact CG-CB 3.86Å; L343-Q347 PolarHBondContact O-OE1 2.66Å; G344-Q347 VanDerWaalsContact CA-OE1 3.27Å; G344-Q347 PolarHBondContact O-N 3.47Å; G344-Q347 PolarHBondContact O-OE1 3.19Å; L345-Q347 VanDerWaalsContact C-N 3.34Å; L345-Q347 PolarHBondContact O-N 2.98Å; Q347-A350 PolarHBondContact O-N 3.19Å; Q347-L351 WeakPolarHBondContact O-CG 3.44Å; Q347-L351 PolarHBondContact O-N 3.43Å
348	I	98.8	Very high	97.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.1	-45	177.1	-63	163.8	0	0	0	110.6	I313 W342 L343 G344 L345 L351 S352 F378 V380	I313-I348 HydrophobicContact CB-CD1 4.02Å; I313-I348 HydrophobicContact CB-CG1 3.93Å; I313-I348 HydrophobicContact CD1-CD1 4.3Å; I313-I348 HydrophobicContact CD1-CG1 4.48Å; I313-I348 HydrophobicContact CD1-CG2 4.37Å; I313-I348 HydrophobicContact CG2-CG1 3.99Å; W342-I348 HydrophobicContact CH2-CD1 3.71Å; W342-I348 HydrophobicContact CZ2-CD1 3.5Å; W342-I348 VanDerWaalsContact CZ2-CD1 3.5Å; W342-I348 HydrophobicContact CZ3-CD1 4.31Å; L343-I348 HydrophobicContact CB-CG1 4.39Å; L343-I348 HydrophobicContact CD2-CG1 4.38Å; G344-I348 WeakPolarHBondContact O-CD1 3.11Å; G344-I348 VanDerWaalsContact O-CG1 3.23Å; G344-I348 WeakPolarHBondContact O-CG1 3.42Å; G344-I348 PolarHBondContact O-N 3.19Å; L345-I348 PolarHBondContact O-N 3.01Å; I348-L351 PolarHBondContact O-N 3.47Å; I348-S352 WeakPolarHBondContact O-CB 3.27Å; I348-S352 PolarHBondContact O-N 3.35Å; I348-S352 PolarHBondContact O-OG 3.04Å; I348-F378 HydrophobicContact CG2-CE1 4.03Å; I348-F378 HydrophobicContact CG2-CZ 4.14Å; I348-V380 HydrophobicContact CG2-CB 4.19Å; I348-V380 HydrophobicContact CG2-CG2 3.66Å
349	H	98.6	Very high	98	Very high	26 Å²	26	20.1 Å²	20.1	12%	0.12	11%	0.111	C	C	.	.	H	α-helix	trans	-55.8	-54.7	172.7	168.7	-93.6	0	0	0	110.3	L345 L351 S352 I353 V380 G381 Y392	L345-H349 WeakPolarHBondContact O-CB 3.13Å; L345-H349 PolarHBondContact O-N 3.35Å; H349-L351 PolarHBondContact O-N 2.89Å; H349-S352 PolarHBondContact O-N 3.49Å; H349-S352 PolarHBondContact O-OG 3.47Å; H349-I353 WeakPolarHBondContact O-CG1 3.17Å; H349-I353 WeakPolarHBondContact O-CG2 3.23Å; H349-I353 PolarHBondContact O-N 2.98Å; H349-V380 PolarHBondContact CD2-O 3.49Å; H349-G381 PolarHBondContact NE2-O 3.35Å; H349-Y392 HydrophobicContact CB-CD1 4.03Å; H349-Y392 HydrophobicContact CB-CE1 3.9Å
350	A	98.1	Very high	98.1	Very high	6 Å²	6	21.1 Å²	21.1	5%	0.05	11%	0.112	C	C	.	.	H	α-helix	trans	-57.2	-34.9	-179.4	0	0	0	0	0	113.8	P290 H293 K346 Q347	P290-A350 HydrophobicContact CB-CB 4.34Å; H293-A350 HydrophobicContact CB-CB 4.05Å; K346-A350 WeakPolarHBondContact O-CB 3.32Å; K346-A350 PolarHBondContact O-N 2.96Å; Q347-A350 PolarHBondContact O-N 3.19Å
351	L	98.3	Very high	98.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-72.2	-43.1	173.2	-74.2	162.8	0	0	0	112.1	D271 P290 F297 T311 L343 Q347 I348 H349 Q354 Y357 I482	D271-L351 HydrophobicContact CB-CD2 4.11Å; P290-L351 HydrophobicContact CG-CD2 3.73Å; P290-L351 HydrophobicContact CG-CG 4.1Å; F297-L351 HydrophobicContact CE2-CD1 4.07Å; F297-L351 HydrophobicContact CE2-CG 4.49Å; F297-L351 HydrophobicContact CZ-CD1 4Å; F297-L351 HydrophobicContact CZ-CD2 4.43Å; F297-L351 HydrophobicContact CZ-CG 3.99Å; T311-L351 HydrophobicContact CG2-CD1 3.97Å; L343-L351 HydrophobicContact CD2-CD1 3.84Å; Q347-L351 WeakPolarHBondContact O-CG 3.44Å; Q347-L351 PolarHBondContact O-N 3.43Å; I348-L351 PolarHBondContact O-N 3.47Å; H349-L351 PolarHBondContact O-N 2.89Å; L351-Q354 WeakPolarHBondContact O-CG 3.19Å; L351-Y357 WeakPolarHBondContact O-CE2 3.31Å; L351-Y357 PolarHBondContact O-OH 3.43Å; L351-I482 HydrophobicContact CB-CD1 3.89Å; L351-I482 HydrophobicContact CD1-CD1 4.29Å
352	S	97.6	Very high	98.1	Very high	1 Å²	1	22 Å²	22	1%	0.007	12%	0.117	C	C	.	.	H	α-helix	trans	-79.1	-21	-172.9	68.2	0	0	0	0	114.9	I348 H349 V380 L382	I348-S352 WeakPolarHBondContact O-CB 3.27Å; I348-S352 PolarHBondContact O-N 3.35Å; I348-S352 PolarHBondContact O-OG 3.04Å; H349-S352 PolarHBondContact O-N 3.49Å; H349-S352 PolarHBondContact O-OG 3.47Å; S352-V380 PolarHBondContact OG-N 2.84Å; S352-V380 VanDerWaalsContact OG-N 3.11Å; S352-V380 PolarHBondContact OG-O 2.81Å; S352-L382 WeakPolarHBondContact O-CD2 3.47Å
353	I	96.9	Very high	98.1	Very high	52 Å²	52	22 Å²	22	27%	0.267	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-13.5	-179.6	66.2	166.9	0	0	0	114.4	H292 H349 G355 L382	H292-I353 HydrophobicContact CB-CD1 4.38Å; H349-I353 WeakPolarHBondContact O-CG1 3.17Å; H349-I353 WeakPolarHBondContact O-CG2 3.23Å; H349-I353 PolarHBondContact O-N 2.98Å; I353-G355 VanDerWaalsContact C-N 3.29Å; I353-G355 PolarHBondContact O-N 3.29Å; I353-L382 HydrophobicContact CG2-CD2 4.25Å
354	Q	95.8	Very high	98.1	Very high	26 Å²	26	23.5 Å²	23.5	12%	0.121	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-1.9	-176.9	56.3	174	3.8	0	0	113.7	R270 V291 L351 Y357	R270-Q354 PolarHBondContact O-NE2 2.92Å; V291-Q354 HydrophobicContact CB-CB 4.09Å; V291-Q354 HydrophobicContact CG2-CB 3.91Å; L351-Q354 WeakPolarHBondContact O-CG 3.19Å; Q354-Y357 HydrophobicContact CG-CE2 4.12Å; Q354-Y357 PolarHBondContact NE2-OH 3.48Å
355	G	94.4	Very high	98	Very high	35 Å²	35	24.3 Å²	24.3	36%	0.361	13%	0.128	S	C	.	.	S	Bend	trans	176.9	-176.8	179.6	0	0	0	0	0	111.3	I353 Y357	I353-G355 VanDerWaalsContact C-N 3.29Å; I353-G355 PolarHBondContact O-N 3.29Å; G355-Y357 WeakPolarHBondContact O-CD2 3.39Å
356	N	96.6	Very high	98	Very high	130 Å²	130	28 Å²	28	70%	0.695	15%	0.145	S	C	*	.			trans	-84.3	128.3	173.2	-66	-23.5	0	0	0	109.4	P484 T485	N356-P484 CarbonylContact O-C 3.57Å; N356-P484 WeakPolarHBondContact O-CA 3.41Å; N356-T485 HydrophobicContact CB-CG2 4.3Å; N356-T485 VanDerWaalsContact CB-OG1 3.24Å; N356-T485 WeakPolarHBondContact CB-OG1 3.39Å; N356-T485 PolarHBondContact O-N 3.03Å; N356-T485 PolarHBondContact O-OG1 3.46Å
357	Y	98.3	Very high	97.9	Very high	6 Å²	6	32.7 Å²	32.7	2%	0.024	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	144.6	179.3	-75.3	-102.8	0	0	0	111	D271 L351 Q354 G355 T377 F378 I482 R483 P484	D271-Y357 PolarHBondContact OD2-OH 3.37Å; L351-Y357 WeakPolarHBondContact O-CE2 3.31Å; L351-Y357 PolarHBondContact O-OH 3.43Å; Q354-Y357 HydrophobicContact CG-CE2 4.12Å; Q354-Y357 PolarHBondContact NE2-OH 3.48Å; G355-Y357 WeakPolarHBondContact O-CD2 3.39Å; Y357-T377 CarbonylContact O-C 3.58Å; Y357-F378 PolarHBondContact O-N 2.81Å; Y357-I482 HydrophobicContact CD1-CB 4.11Å; Y357-I482 HydrophobicContact CD1-CD1 4.04Å; Y357-I482 HydrophobicContact CD1-CG1 4.08Å; Y357-I482 HydrophobicContact CE1-CD1 4.48Å; Y357-R483 CarbonylContact C-O 3.52Å; Y357-R483 VanDerWaalsContact CA-O 3.29Å; Y357-R483 WeakPolarHBondContact CA-O 3.31Å; Y357-R483 WeakPolarHBondContact CD1-O 3.26Å; Y357-P484 HydrophobicContact CD1-CG 4.32Å; Y357-P484 HydrophobicContact CE1-CB 4.45Å; Y357-P484 HydrophobicContact CE1-CG 3.65Å
358	E	98.4	Very high	97.8	Very high	23 Å²	23	36.8 Å²	36.8	11%	0.107	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	151.2	164	50.8	177.6	-170.4	0	0	109.7	W310 H374 Y375 I482 R483 T485	W310-E358 HydrophobicContact CH2-CG 3.9Å; W310-E358 WeakPolarHBondContact CH2-OE1 3.26Å; W310-E358 HydrophobicContact CZ3-CG 4.05Å; E358-H374 IonicContact OE2-CD2 3.43Å; E358-H374 IonicContact OE2-CE1 2.92Å; E358-H374 PolarHBondContact OE2-CE1 2.82Å; E358-H374 IonicContact OE2-NE2 3.69Å; E358-H374 PolarHBondContact OE2-NE2 2.88Å; E358-Y375 CarbonylContact C-O 3.47Å; E358-Y375 VanDerWaalsContact CA-O 3.29Å; E358-Y375 WeakPolarHBondContact CA-O 3.07Å; E358-Y375 WeakPolarHBondContact CB-O 3.47Å; E358-I482 WeakPolarHBondContact O-CA 3.36Å; E358-R483 HydrophobicContact CG-CB 4.22Å; E358-R483 VanDerWaalsContact CG-O 3.25Å; E358-R483 WeakPolarHBondContact CG-O 3.24Å; E358-R483 PolarHBondContact N-O 3.43Å; E358-R483 PolarHBondContact O-N 3.32Å; E358-R483 VanDerWaalsContact O-N 3.1Å; E358-R483 IonicContact OE1-CZ 2.75Å; E358-R483 IonicContact OE1-NE 2.74Å; E358-R483 PolarHBondContact OE1-NE 3.23Å; E358-R483 IonicContact OE1-NH2 3.2Å; E358-R483 PolarHBondContact OE1-NH2 3.23Å; E358-T485 HydrophobicContact CB-CG2 4.15Å; E358-T485 HydrophobicContact CG-CG2 4.47Å
359	L	98.8	Very high	97.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.5	175	169.9	71.3	0	0	0	109.5	I313 I361 H374 Y375 F378 L407 M480 I482	I313-L359 HydrophobicContact CD1-CD1 4.32Å; L359-I361 HydrophobicContact CD1-CG1 4.24Å; L359-I361 HydrophobicContact CD2-CD1 4.02Å; L359-I361 HydrophobicContact CD2-CG1 4.09Å; L359-I361 HydrophobicContact CG-CD1 4.49Å; L359-I361 HydrophobicContact CG-CG1 4.01Å; L359-H374 CarbonylContact O-C 3.54Å; L359-H374 WeakPolarHBondContact O-CA 3.34Å; L359-Y375 HydrophobicContact CB-CD2 4.49Å; L359-Y375 HydrophobicContact CD2-CD2 3.98Å; L359-Y375 HydrophobicContact CG-CD2 4.3Å; L359-Y375 PolarHBondContact N-O 3.48Å; L359-Y375 PolarHBondContact O-N 3.04Å; L359-F378 HydrophobicContact CB-CB 3.53Å; L359-F378 HydrophobicContact CB-CD1 4.33Å; L359-F378 HydrophobicContact CB-CD2 3.93Å; L359-F378 HydrophobicContact CB-CG 3.66Å; L359-F378 HydrophobicContact CD2-CD2 3.61Å; L359-F378 HydrophobicContact CD2-CE2 3.91Å; L359-F378 HydrophobicContact CD2-CG 4.25Å; L359-F378 HydrophobicContact CG-CD2 4.24Å; L359-F378 HydrophobicContact CG-CG 4.4Å; L359-L407 HydrophobicContact CD2-CD2 3.73Å; L359-M480 HydrophobicContact CD1-CB 4.23Å; L359-M480 HydrophobicContact CD1-CE 4.19Å; L359-M480 HydrophobicContact CD2-CE 4.2Å; L359-I482 HydrophobicContact CB-CG2 4.42Å; L359-I482 HydrophobicContact CD1-CG2 3.9Å
360	R	98.8	Very high	97.8	Very high	30 Å²	30	42.6 Å²	42.6	11%	0.113	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.4	166.7	-178.6	177.6	179	97.6	10.5	109.6	T305 W310 D362 Y372 A373 K481	T305-R360 VanDerWaalsContact CG2-NE 3.27Å; W310-R360 HydrophobicContact CE3-CB 4.11Å; W310-R360 HydrophobicContact CH2-CB 3.55Å; W310-R360 HydrophobicContact CZ2-CB 4.04Å; W310-R360 HydrophobicContact CZ3-CB 3.57Å; R360-D362 IonicContact CZ-OD1 2.73Å; R360-D362 VanDerWaalsContact CZ-OD1 3.22Å; R360-D362 IonicContact NE-OD1 3.68Å; R360-D362 PolarHBondContact NE-OD1 2.96Å; R360-D362 IonicContact NE-OD2 2.96Å; R360-D362 PolarHBondContact NE-OD2 3.23Å; R360-D362 IonicContact NH2-OD1 3.46Å; R360-D362 PolarHBondContact NH2-OD1 3.34Å; R360-Y372 VanDerWaalsContact NH2-CG 3.26Å; R360-A373 CarbonylContact C-O 3.56Å; R360-A373 WeakPolarHBondContact CA-O 3.43Å; R360-K481 HydrophobicContact CB-CG 4.14Å; R360-K481 PolarHBondContact N-O 3.45Å; R360-K481 PolarHBondContact O-N 3.01Å
361	I	98.9	Very high	97.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	112.9	175	-51.9	-179.4	0	0	0	107.3	L359 L363 Y372 A373 Y375 L407 L447 W465 E479 M480	L359-I361 HydrophobicContact CD1-CG1 4.24Å; L359-I361 HydrophobicContact CD2-CD1 4.02Å; L359-I361 HydrophobicContact CD2-CG1 4.09Å; L359-I361 HydrophobicContact CG-CD1 4.49Å; L359-I361 HydrophobicContact CG-CG1 4.01Å; I361-L363 HydrophobicContact CG2-CD2 3.58Å; I361-L363 HydrophobicContact CG2-CG 4.15Å; I361-Y372 CarbonylContact O-C 3.53Å; I361-Y372 WeakPolarHBondContact O-CA 3.13Å; I361-Y372 WeakPolarHBondContact O-CB 3.44Å; I361-A373 HydrophobicContact CB-CB 4.45Å; I361-A373 PolarHBondContact N-O 3.41Å; I361-A373 PolarHBondContact O-N 2.98Å; I361-Y375 HydrophobicContact CD1-CE2 4.14Å; I361-L407 HydrophobicContact CD1-CD2 4.06Å; I361-L447 HydrophobicContact CD1-CD1 4.22Å; I361-L447 HydrophobicContact CG2-CD1 3.63Å; I361-W465 HydrophobicContact CD1-CH2 3.78Å; I361-W465 HydrophobicContact CD1-CZ3 3.7Å; I361-E479 VanDerWaalsContact CA-O 3.3Å; I361-E479 WeakPolarHBondContact CA-O 3.41Å; I361-M480 HydrophobicContact CD1-CE 4.24Å; I361-M480 HydrophobicContact CD1-CG 4.48Å; I361-M480 HydrophobicContact CG1-CG 4.17Å; I361-M480 HydrophobicContact CG2-CG 4.31Å
362	D	98.9	Very high	97.8	Very high	25 Å²	25	46.3 Å²	46.3	13%	0.134	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	137.5	172.6	-67.7	-48.9	0	0	0	109.6	R360 Y372 F477 S478 E479 K481	R360-D362 IonicContact CZ-OD1 2.73Å; R360-D362 VanDerWaalsContact CZ-OD1 3.22Å; R360-D362 IonicContact NE-OD1 3.68Å; R360-D362 PolarHBondContact NE-OD1 2.96Å; R360-D362 IonicContact NE-OD2 2.96Å; R360-D362 PolarHBondContact NE-OD2 3.23Å; R360-D362 IonicContact NH2-OD1 3.46Å; R360-D362 PolarHBondContact NH2-OD1 3.34Å; D362-Y372 WeakPolarHBondContact OD1-CB 3.33Å; D362-F477 HydrophobicContact CB-CE1 4.32Å; D362-S478 CarbonylContact O-C 3.32Å; D362-S478 VanDerWaalsContact O-CA 3.29Å; D362-S478 WeakPolarHBondContact O-CA 3.48Å; D362-E479 PolarHBondContact N-O 3.01Å; D362-E479 PolarHBondContact O-N 3.35Å; D362-K481 WeakPolarHBondContact OD2-CE 3.49Å; D362-K481 IonicContact OD2-NZ 2.95Å; D362-K481 PolarHBondContact OD2-NZ 3.49Å
363	L	98.9	Very high	97.9	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.3	-172.8	-53	173.9	0	0	0	110.3	I361 T370 A371 A403 L447 W465 W468 L475 F477	I361-L363 HydrophobicContact CG2-CD2 3.58Å; I361-L363 HydrophobicContact CG2-CG 4.15Å; L363-T370 VanDerWaalsContact O-CA 3.28Å; L363-T370 WeakPolarHBondContact O-CA 3.45Å; L363-A371 PolarHBondContact N-O 3Å; L363-A371 PolarHBondContact O-N 2.97Å; L363-A403 HydrophobicContact CD1-CB 3.93Å; L363-L447 HydrophobicContact CD2-CD1 4.49Å; L363-L447 HydrophobicContact CD2-CD2 3.91Å; L363-W465 HydrophobicContact CD1-CB 3.83Å; L363-W465 HydrophobicContact CD1-CD2 3.77Å; L363-W465 HydrophobicContact CD1-CE3 4.37Å; L363-W465 HydrophobicContact CD1-CG 3.5Å; L363-W468 HydrophobicContact CB-CE3 3.9Å; L363-W468 HydrophobicContact CB-CH2 4.38Å; L363-W468 HydrophobicContact CB-CZ3 3.5Å; L363-W468 VanDerWaalsContact CB-CZ3 3.5Å; L363-W468 HydrophobicContact CD1-CE3 4Å; L363-W468 HydrophobicContact CD1-CZ3 4.46Å; L363-L475 HydrophobicContact CB-CD1 4.14Å; L363-L475 HydrophobicContact CD1-CD1 4.21Å; L363-L475 HydrophobicContact CD2-CD1 3.74Å; L363-L475 HydrophobicContact CG-CD1 4.25Å; L363-F477 WeakPolarHBondContact CA-O 3.28Å
364	E	98.8	Very high	98	Very high	46 Å²	46	45 Å²	45	22%	0.215	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	139.6	172.5	-160.7	-176	133.9	0	0	110.5	S369 T370 K476 F477	E364-S369 WeakPolarHBondContact CA-O 3.27Å; E364-S369 WeakPolarHBondContact CG-O 3.27Å; E364-T370 HydrophobicContact CB-CG2 4.19Å; E364-T370 HydrophobicContact CG-CG2 3.78Å; E364-K476 WeakPolarHBondContact O-CB 3.45Å; E364-K476 PolarHBondContact O-N 3Å; E364-K476 IonicContact OE1-NZ 3.49Å; E364-K476 PolarHBondContact OE1-NZ 3.01Å; E364-F477 HydrophobicContact CB-CB 3.61Å; E364-F477 HydrophobicContact CB-CD1 4.47Å; E364-F477 HydrophobicContact CB-CG 4.47Å; E364-F477 PolarHBondContact N-O 3.06Å; E364-F477 PolarHBondContact O-N 3.45Å; E364-F477 VanDerWaalsContact O-N 3.14Å
365	D	98.4	Very high	98.1	Very high	16 Å²	16	43.7 Å²	43.7	9%	0.086	23%	0.231	C	C	.	.			trans	-93.4	178.8	171.8	74.6	12.5	0	0	0	111.9	E367 N368 S369 W468 Y473 K476	D365-E367 PolarHBondContact O-N 3.03Å; D365-E367 VanDerWaalsContact OD1-C 3.25Å; D365-E367 VanDerWaalsContact OD1-CA 3.3Å; D365-E367 WeakPolarHBondContact OD1-CA 3.39Å; D365-E367 PolarHBondContact OD1-N 3.38Å; D365-N368 PolarHBondContact O-N 3.43Å; D365-N368 PolarHBondContact OD1-N 3.01Å; D365-S369 VanDerWaalsContact CG-CB 3.48Å; D365-S369 PolarHBondContact N-O 3.2Å; D365-S369 WeakPolarHBondContact OD1-CB 3.47Å; D365-S369 PolarHBondContact OD1-N 3.34Å; D365-S369 WeakPolarHBondContact OD2-CB 3.19Å; D365-W468 HydrophobicContact CB-CH2 4.11Å; D365-Y473 HydrophobicContact CB-CE1 3.76Å; D365-K476 WeakPolarHBondContact O-CD 3.34Å
366	F	98	Very high	98.3	Very high	79 Å²	79	43 Å²	43	35%	0.346	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-4.7	178.1	-78.2	-91.8	0	0	0	114	Y451 R453 G454 Y473 K476	F366-Y451 HydrophobicContact CZ-CE1 4.03Å; F366-R453 HydrophobicContact CE1-CB 4.27Å; F366-R453 HydrophobicContact CE1-CG 4.48Å; F366-R453 VanDerWaalsContact CE2-C 3.49Å; F366-R453 VanDerWaalsContact CE2-CA 3.4Å; F366-R453 HydrophobicContact CE2-CB 4.22Å; F366-R453 VanDerWaalsContact CZ-CA 3.49Å; F366-R453 HydrophobicContact CZ-CB 3.81Å; F366-R453 HydrophobicContact CZ-CG 3.97Å; F366-G454 VanDerWaalsContact CE2-N 3.32Å; F366-Y473 PolarHBondContact N-OH 2.9Å; F366-K476 HydrophobicContact CD1-CB 4.2Å; F366-K476 HydrophobicContact CD1-CD 4.21Å; F366-K476 HydrophobicContact CD1-CG 4.15Å; F366-K476 HydrophobicContact CD2-CB 3.66Å; F366-K476 HydrophobicContact CD2-CG 4.47Å; F366-K476 HydrophobicContact CE1-CB 4.07Å; F366-K476 HydrophobicContact CE1-CD 4.37Å; F366-K476 HydrophobicContact CE1-CG 3.86Å; F366-K476 HydrophobicContact CE2-CB 3.47Å; F366-K476 VanDerWaalsContact CE2-CB 3.47Å; F366-K476 HydrophobicContact CE2-CG 4.18Å; F366-K476 HydrophobicContact CG-CB 4.01Å; F366-K476 HydrophobicContact CG-CG 4.44Å; F366-K476 HydrophobicContact CZ-CB 3.69Å; F366-K476 HydrophobicContact CZ-CG 3.87Å
367	E	97.1	Very high	98.3	Very high	160 Å²	160	39.5 Å²	39.5	75%	0.748	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	7.9	174.1	-61	-176	-176.8	0	0	111.8	D365 S369	D365-E367 PolarHBondContact O-N 3.03Å; D365-E367 VanDerWaalsContact OD1-C 3.25Å; D365-E367 VanDerWaalsContact OD1-CA 3.3Å; D365-E367 WeakPolarHBondContact OD1-CA 3.39Å; D365-E367 PolarHBondContact OD1-N 3.38Å; E367-S369 PolarHBondContact O-N 2.88Å
368	N	95.8	Very high	98.4	Very high	110 Å²	110	39.4 Å²	39.4	59%	0.588	21%	0.207	S	C	*	.	S	Bend	trans	62.8	20.8	-176.4	-45.8	-55.2	0	0	0	113.8	D365 K476	D365-N368 PolarHBondContact O-N 3.43Å; D365-N368 PolarHBondContact OD1-N 3.01Å; N368-K476 PolarHBondContact OD1-NZ 2.9Å; N368-K476 VanDerWaalsContact OD1-NZ 3.12Å
369	S	98	Very high	98.4	Very high	55 Å²	55	38.3 Å²	38.3	39%	0.385	20%	0.201	S	C	.	.			trans	-72.3	141.6	164.2	-163.7	0	0	0	0	108.8	E364 D365 E367 W468	E364-S369 WeakPolarHBondContact CA-O 3.27Å; E364-S369 WeakPolarHBondContact CG-O 3.27Å; D365-S369 VanDerWaalsContact CG-CB 3.48Å; D365-S369 PolarHBondContact N-O 3.2Å; D365-S369 WeakPolarHBondContact OD1-CB 3.47Å; D365-S369 PolarHBondContact OD1-N 3.34Å; D365-S369 WeakPolarHBondContact OD2-CB 3.19Å; E367-S369 PolarHBondContact O-N 2.88Å; S369-W468 WeakPolarHBondContact O-CH2 3.26Å
370	T	98.4	Very high	98.4	Very high	92 Å²	92	38.3 Å²	38.3	56%	0.564	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.5	178.3	52.9	0	0	0	0	110.7	L363 E364	L363-T370 VanDerWaalsContact O-CA 3.28Å; L363-T370 WeakPolarHBondContact O-CA 3.45Å; E364-T370 HydrophobicContact CB-CG2 4.19Å; E364-T370 HydrophobicContact CG-CG2 3.78Å
371	A	98.6	Very high	98.3	Very high	6 Å²	6	37 Å²	37	5%	0.05	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	163.8	172.8	0	0	0	0	0	109.9	L363 N402 A403 W468	L363-A371 PolarHBondContact N-O 3Å; L363-A371 PolarHBondContact O-N 2.97Å; A371-N402 WeakPolarHBondContact CA-OD1 3.26Å; A371-A403 HydrophobicContact CB-CB 3.69Å; A371-W468 HydrophobicContact CB-CD2 3.7Å; A371-W468 VanDerWaalsContact CB-CE2 3.47Å; A371-W468 HydrophobicContact CB-CE3 4.11Å; A371-W468 HydrophobicContact CB-CG 4.21Å; A371-W468 HydrophobicContact CB-CH2 4.11Å; A371-W468 HydrophobicContact CB-CZ2 3.7Å; A371-W468 HydrophobicContact CB-CZ3 4.3Å
372	Y	98.8	Very high	98.2	Very high	78 Å²	78	39.2 Å²	39.2	31%	0.306	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	153.5	174.9	75.6	-82.7	0	0	0	112.1	R360 I361 D362 H374 N402 A403	R360-Y372 VanDerWaalsContact NH2-CG 3.26Å; I361-Y372 CarbonylContact O-C 3.53Å; I361-Y372 WeakPolarHBondContact O-CA 3.13Å; I361-Y372 WeakPolarHBondContact O-CB 3.44Å; D362-Y372 WeakPolarHBondContact OD1-CB 3.33Å; Y372-H374 HydrophobicContact CD2-CB 4.3Å; Y372-H374 HydrophobicContact CE2-CB 4.23Å; Y372-N402 VanDerWaalsContact CD1-OD1 3.29Å; Y372-N402 WeakPolarHBondContact CD1-OD1 3.42Å; Y372-N402 PolarHBondContact N-OD1 3.4Å; Y372-N402 PolarHBondContact O-N 2.9Å; Y372-N402 PolarHBondContact O-OD1 2.92Å; Y372-A403 WeakPolarHBondContact O-CB 3.26Å; Y372-A403 PolarHBondContact O-N 2.83Å
373	A	98.8	Very high	98.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130.7	167.6	0	0	0	0	0	108.9	R360 I361 Y375 Y399 A403 W465	R360-A373 CarbonylContact C-O 3.56Å; R360-A373 WeakPolarHBondContact CA-O 3.43Å; I361-A373 HydrophobicContact CB-CB 4.45Å; I361-A373 PolarHBondContact N-O 3.41Å; I361-A373 PolarHBondContact O-N 2.98Å; A373-Y375 HydrophobicContact CB-CE2 3.79Å; A373-Y399 HydrophobicContact CB-CD2 4.46Å; A373-Y399 HydrophobicContact CB-CE2 3.85Å; A373-A403 HydrophobicContact CB-CB 4.47Å; A373-W465 HydrophobicContact CB-CH2 3.87Å; A373-W465 HydrophobicContact CB-CZ2 3.44Å; A373-W465 VanDerWaalsContact CB-CZ2 3.44Å
374	H	98.8	Very high	98	Very high	25 Å²	25	48.1 Å²	48.1	12%	0.116	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	141.1	176.5	174	-83.6	0	0	0	108.9	E358 L359 Y372 Y399 S400	E358-H374 IonicContact OE2-CD2 3.43Å; E358-H374 IonicContact OE2-CE1 2.92Å; E358-H374 PolarHBondContact OE2-CE1 2.82Å; E358-H374 IonicContact OE2-NE2 3.69Å; E358-H374 PolarHBondContact OE2-NE2 2.88Å; L359-H374 CarbonylContact O-C 3.54Å; L359-H374 WeakPolarHBondContact O-CA 3.34Å; Y372-H374 HydrophobicContact CD2-CB 4.3Å; Y372-H374 HydrophobicContact CE2-CB 4.23Å; H374-Y399 CarbonylContact O-C 3.55Å; H374-Y399 WeakPolarHBondContact O-CA 3.29Å; H374-S400 PolarHBondContact N-O 3.17Å; H374-S400 PolarHBondContact ND1-OG 3.47Å; H374-S400 PolarHBondContact O-N 3.35Å
375	Y	98.8	Very high	97.8	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	118.1	178.5	-61.5	-89.5	0	0	0	107.7	E358 L359 I361 A373 T377 V396 G397 Y399 D405 L407 L408 W465	E358-Y375 CarbonylContact C-O 3.47Å; E358-Y375 VanDerWaalsContact CA-O 3.29Å; E358-Y375 WeakPolarHBondContact CA-O 3.07Å; E358-Y375 WeakPolarHBondContact CB-O 3.47Å; L359-Y375 HydrophobicContact CB-CD2 4.49Å; L359-Y375 HydrophobicContact CD2-CD2 3.98Å; L359-Y375 HydrophobicContact CG-CD2 4.3Å; L359-Y375 PolarHBondContact N-O 3.48Å; L359-Y375 PolarHBondContact O-N 3.04Å; I361-Y375 HydrophobicContact CD1-CE2 4.14Å; A373-Y375 HydrophobicContact CB-CE2 3.79Å; Y375-T377 PolarHBondContact O-N 3.48Å; Y375-V396 HydrophobicContact CD1-CG2 3.36Å; Y375-V396 HydrophobicContact CD2-CG2 4.23Å; Y375-V396 HydrophobicContact CE1-CG2 4.05Å; Y375-V396 HydrophobicContact CG-CG2 3.47Å; Y375-V396 VanDerWaalsContact CG-CG2 3.47Å; Y375-G397 CarbonylContact C-O 3.56Å; Y375-G397 WeakPolarHBondContact CA-O 3.46Å; Y375-G397 WeakPolarHBondContact CB-O 3.39Å; Y375-Y399 HydrophobicContact CD1-CD2 4.32Å; Y375-Y399 AromaticContact CE1-CD2 3.7Å; Y375-Y399 HydrophobicContact CE1-CD2 3.7Å; Y375-Y399 HydrophobicContact CE1-CG 4.23Å; Y375-Y399 HydrophobicContact CE2-CD2 4.42Å; Y375-Y399 AromaticContact CZ-CD2 3.73Å; Y375-D405 PolarHBondContact OH-OD1 3.34Å; Y375-D405 VanDerWaalsContact OH-OD1 3.07Å; Y375-L407 HydrophobicContact CD2-CD2 4.36Å; Y375-L407 HydrophobicContact CE1-CB 3.98Å; Y375-L407 HydrophobicContact CE2-CB 4.12Å; Y375-L407 HydrophobicContact CE2-CD2 3.96Å; Y375-L407 WeakPolarHBondContact OH-CB 3.38Å; Y375-L408 HydrophobicContact CD1-CD2 4Å; Y375-L408 HydrophobicContact CE1-CD2 3.97Å; Y375-L408 HydrophobicContact CE1-CG 4.06Å; Y375-W465 HydrophobicContact CE2-CH2 4.23Å; Y375-W465 VanDerWaalsContact OH-CH2 3.26Å; Y375-W465 WeakPolarHBondContact OH-CH2 3.24Å; Y375-W465 WeakPolarHBondContact OH-CZ2 3.4Å
376	G	98.1	Very high	97.8	Very high	19 Å²	19	55.6 Å²	55.6	20%	0.196	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	-21.6	-178.3	0	0	0	0	0	113.9	G397 D398 T485	G376-G397 PolarHBondContact N-O 2.91Å; G376-D398 PolarHBondContact N-O 3.31Å; G376-T485 VanDerWaalsContact O-CG2 3.32Å; G376-T485 WeakPolarHBondContact O-CG2 3.05Å
377	T	97.9	Very high	97.7	Very high	58 Å²	58	52.8 Å²	52.8	36%	0.356	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	127.6	174.8	-58.7	0	0	0	0	109.7	Y357 Y375 T395 V396 G397 D398	Y357-T377 CarbonylContact O-C 3.58Å; Y375-T377 PolarHBondContact O-N 3.48Å; T377-T395 HydrophobicContact CG2-CG2 4.42Å; T377-V396 CarbonylContact O-C 3.53Å; T377-V396 VanDerWaalsContact O-CA 3.27Å; T377-V396 WeakPolarHBondContact O-CA 3.34Å; T377-G397 PolarHBondContact N-O 3.38Å; T377-G397 PolarHBondContact O-N 3Å; T377-D398 PolarHBondContact OG1-OD2 3.46Å
378	F	98.7	Very high	97.6	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	138.8	172.4	173.5	-98.4	0	0	0	111.7	I313 I348 Y357 L359 V380 L394 T395 I482	I313-F378 HydrophobicContact CD1-CE1 4.18Å; I313-F378 HydrophobicContact CD1-CZ 4.01Å; I348-F378 HydrophobicContact CG2-CE1 4.03Å; I348-F378 HydrophobicContact CG2-CZ 4.14Å; Y357-F378 PolarHBondContact O-N 2.81Å; L359-F378 HydrophobicContact CB-CB 3.53Å; L359-F378 HydrophobicContact CB-CD1 4.33Å; L359-F378 HydrophobicContact CB-CD2 3.93Å; L359-F378 HydrophobicContact CB-CG 3.66Å; L359-F378 HydrophobicContact CD2-CD2 3.61Å; L359-F378 HydrophobicContact CD2-CE2 3.91Å; L359-F378 HydrophobicContact CD2-CG 4.25Å; L359-F378 HydrophobicContact CG-CD2 4.24Å; L359-F378 HydrophobicContact CG-CG 4.4Å; F378-V380 HydrophobicContact CE1-CG2 4.17Å; F378-V380 HydrophobicContact CE2-CG2 4.23Å; F378-V380 HydrophobicContact CZ-CG2 3.63Å; F378-L394 HydrophobicContact CD2-CD1 3.94Å; F378-L394 HydrophobicContact CE2-CD1 3.56Å; F378-T395 CarbonylContact C-O 3.49Å; F378-T395 VanDerWaalsContact CA-O 3.28Å; F378-T395 WeakPolarHBondContact CA-O 3.38Å; F378-I482 HydrophobicContact CD1-CG2 3.49Å; F378-I482 VanDerWaalsContact CD1-CG2 3.49Å; F378-I482 HydrophobicContact CE1-CG2 3.57Å; F378-I482 HydrophobicContact CG-CG2 4.39Å
379	G	98.6	Very high	97.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	164.8	167.4	0	0	0	0	0	113.1	T395	G379-T395 PolarHBondContact N-O 3.41Å; G379-T395 PolarHBondContact O-N 3.01Å
380	V	98.8	Very high	97.6	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	118.7	-178.5	178.9	0	0	0	0	107.4	L345 I348 H349 S352 F378 L382 Y392 P393 W438	L345-V380 HydrophobicContact CD2-CG1 4.24Å; I348-V380 HydrophobicContact CG2-CB 4.19Å; I348-V380 HydrophobicContact CG2-CG2 3.66Å; H349-V380 PolarHBondContact CD2-O 3.49Å; S352-V380 PolarHBondContact OG-N 2.84Å; S352-V380 VanDerWaalsContact OG-N 3.11Å; S352-V380 PolarHBondContact OG-O 2.81Å; F378-V380 HydrophobicContact CE1-CG2 4.17Å; F378-V380 HydrophobicContact CE2-CG2 4.23Å; F378-V380 HydrophobicContact CZ-CG2 3.63Å; V380-L382 VanDerWaalsContact C-N 3.34Å; V380-L382 PolarHBondContact O-N 2.76Å; V380-Y392 HydrophobicContact CG1-CD1 3.97Å; V380-Y392 HydrophobicContact CG1-CG 4.23Å; V380-P393 WeakPolarHBondContact CA-O 3.33Å; V380-W438 HydrophobicContact CG1-CZ2 4.26Å; V380-W438 HydrophobicContact CG2-CH2 4.22Å; V380-W438 HydrophobicContact CG2-CZ2 3.61Å
381	G	98.1	Very high	97.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.01	23%	0.233	C	C	.	.	S	Bend	trans	63.8	31.8	-179.8	0	0	0	0	0	114.9	H349 F383 S384 P393	H349-G381 PolarHBondContact NE2-O 3.35Å; G381-F383 PolarHBondContact O-N 3.44Å; G381-S384 WeakPolarHBondContact O-CB 3.38Å; G381-S384 PolarHBondContact O-N 2.77Å; G381-P393 PolarHBondContact N-O 3.42Å
382	L	97	Very high	97.6	Very high	48 Å²	48	43.4 Å²	43.4	25%	0.251	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-35.1	-169.5	-71	-179.3	0	0	0	115.8	S352 I353 V380 T395	S352-L382 WeakPolarHBondContact O-CD2 3.47Å; I353-L382 HydrophobicContact CG2-CD2 4.25Å; V380-L382 VanDerWaalsContact C-N 3.34Å; V380-L382 PolarHBondContact O-N 2.76Å; L382-T395 HydrophobicContact CD1-CG2 3.84Å
383	F	95.6	Very high	97.6	Very high	192 Å²	192	41.1 Å²	41.1	84%	0.842	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.3	14	-177.2	-52.3	-68	0	0	0	112.8	G381	G381-F383 PolarHBondContact O-N 3.44Å
384	S	96.9	Very high	97.6	Very high	21 Å²	21	41.1 Å²	41.1	15%	0.147	23%	0.226	C	C	.	.			trans	-75.1	127.8	-179.9	-73.7	0	0	0	0	110.5	G381 D390	G381-S384 WeakPolarHBondContact O-CB 3.38Å; G381-S384 PolarHBondContact O-N 2.77Å; S384-D390 VanDerWaalsContact CA-OD2 3.28Å; S384-D390 WeakPolarHBondContact CA-OD2 3.48Å; S384-D390 WeakPolarHBondContact CB-OD2 3.29Å; S384-D390 VanDerWaalsContact OG-CB 3.26Å; S384-D390 WeakPolarHBondContact OG-CB 3.44Å; S384-D390 PolarHBondContact OG-OD2 3.4Å
385	V	95.9	Very high	97.6	Very high	149 Å²	149	42 Å²	42	90%	0.903	23%	0.233	S	C	*	.	S	Bend	trans	-71.5	-41	172.1	178	0	0	0	0	109.8
386	D	96.9	Very high	97.6	Very high	71 Å²	71	42.2 Å²	42.2	38%	0.38	24%	0.235	S	C	.	.	S	Bend	trans	-126.4	99.1	170.7	-168.9	-37	0	0	0	108.8	D388 D389 D390	D386-D388 PolarHBondContact O-N 3Å; D386-D388 WeakPolarHBondContact OD1-CB 3.49Å; D386-D388 PolarHBondContact OD1-N 3.48Å; D386-D389 HydrophobicContact CB-CB 4.15Å; D386-D389 PolarHBondContact O-N 2.78Å; D386-D389 PolarHBondContact OD1-N 3.07Å; D386-D390 WeakPolarHBondContact O-CB 3.28Å; D386-D390 PolarHBondContact O-N 3.04Å
387	P	96.2	Very high	97.6	Very high	20 Å²	20	42 Å²	42	13%	0.13	23%	0.233	C	C	.	.	H	α-helix	trans	-69.7	-21.8	-176.6	30.5	-37.5	0	0	0	113.2	G391 Y392	P387-G391 PolarHBondContact O-N 2.87Å; P387-G391 VanDerWaalsContact O-N 3.1Å; P387-Y392 HydrophobicContact CB-CD1 3.87Å; P387-Y392 HydrophobicContact CB-CE1 3.66Å; P387-Y392 HydrophobicContact CG-CE1 4.07Å; P387-Y392 VanDerWaalsContact O-CD2 3.32Å; P387-Y392 WeakPolarHBondContact O-CD2 3.39Å; P387-Y392 WeakPolarHBondContact O-CE2 3.24Å; P387-Y392 PolarHBondContact O-N 3.34Å
388	D	94.7	Very high	97.6	Very high	35 Å²	35	44.7 Å²	44.7	19%	0.187	25%	0.245	C	C	.	.	H	α-helix	trans	-71	-41.8	176.7	-83.8	-57.1	0	0	0	111.4	R331 K346 D386 Y392 K420	R331-D388 WeakPolarHBondContact CD-OD1 3.36Å; K346-D388 WeakPolarHBondContact CE-OD2 3.28Å; D386-D388 PolarHBondContact O-N 3Å; D386-D388 WeakPolarHBondContact OD1-CB 3.49Å; D386-D388 PolarHBondContact OD1-N 3.48Å; D388-Y392 HydrophobicContact CB-CE2 4.48Å; D388-Y392 VanDerWaalsContact OD1-CE2 3.22Å; D388-Y392 WeakPolarHBondContact OD1-CE2 3.46Å; D388-Y392 PolarHBondContact OD1-OH 3Å; D388-Y392 PolarHBondContact OD2-OH 3.43Å; D388-K420 PolarHBondContact O-NZ 3.12Å
389	D	96.4	Very high	97.6	Very high	123 Å²	123	47.7 Å²	47.7	66%	0.658	26%	0.256	S	S	*	.	H	α-helix	trans	-76.7	-40.1	176.1	-79.5	-6.5	0	0	0	112.1	D386 G391	D386-D389 HydrophobicContact CB-CB 4.15Å; D386-D389 PolarHBondContact O-N 2.78Å; D386-D389 PolarHBondContact OD1-N 3.07Å; D389-G391 PolarHBondContact O-N 3.28Å
390	D	97.6	Very high	97.6	Very high	65 Å²	65	50.2 Å²	50.2	35%	0.348	27%	0.274	S	S	.	.	H	α-helix	trans	-69.2	-15.8	176.8	-80.6	-15.1	0	0	0	113	S384 D386 K414	S384-D390 VanDerWaalsContact CA-OD2 3.28Å; S384-D390 WeakPolarHBondContact CA-OD2 3.48Å; S384-D390 WeakPolarHBondContact CB-OD2 3.29Å; S384-D390 VanDerWaalsContact OG-CB 3.26Å; S384-D390 WeakPolarHBondContact OG-CB 3.44Å; S384-D390 PolarHBondContact OG-OD2 3.4Å; D386-D390 WeakPolarHBondContact O-CB 3.28Å; D386-D390 PolarHBondContact O-N 3.04Å; D390-K414 WeakPolarHBondContact O-CD 3.33Å; D390-K414 WeakPolarHBondContact O-CE 3.4Å; D390-K414 WeakPolarHBondContact O-CG 3.49Å; D390-K414 PolarHBondContact O-NZ 3.31Å
391	G	98.1	Very high	97.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	29.1	175	0	0	0	0	0	113.7	P387 D389 F415	P387-G391 PolarHBondContact O-N 2.87Å; P387-G391 VanDerWaalsContact O-N 3.1Å; D389-G391 PolarHBondContact O-N 3.28Å; G391-F415 PolarHBondContact O-N 3.24Å
392	Y	98.7	Very high	97.5	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.008	32%	0.315	C	S	.	.			trans	48.3	59.8	176.9	-65.5	-83.8	0	0	0	113.7	W327 R331 L345 K346 H349 V380 P387 D388 L394 W438	W327-Y392 AromaticContact CH2-CD2 3.74Å; W327-Y392 HydrophobicContact CH2-CD2 3.74Å; W327-Y392 HydrophobicContact CH2-CE2 4.31Å; W327-Y392 AromaticContact CZ2-CD2 3.77Å; W327-Y392 HydrophobicContact CZ2-CD2 3.77Å; W327-Y392 AromaticContact CZ2-CE2 3.86Å; W327-Y392 HydrophobicContact CZ2-CE2 3.86Å; R331-Y392 HydrophobicContact CG-CE2 4.42Å; L345-Y392 HydrophobicContact CB-CD1 3.85Å; L345-Y392 HydrophobicContact CB-CD2 3.93Å; L345-Y392 HydrophobicContact CB-CE1 3.95Å; L345-Y392 HydrophobicContact CB-CE2 4.05Å; L345-Y392 HydrophobicContact CB-CG 3.84Å; L345-Y392 HydrophobicContact CD1-CD2 3.85Å; L345-Y392 HydrophobicContact CD1-CE2 4.4Å; L345-Y392 HydrophobicContact CD1-CG 4.19Å; L345-Y392 HydrophobicContact CD2-CG 4.27Å; L345-Y392 HydrophobicContact CG-CD2 4.39Å; L345-Y392 HydrophobicContact CG-CG 4.33Å; K346-Y392 WeakPolarHBondContact CG-OH 3.42Å; H349-Y392 HydrophobicContact CB-CD1 4.03Å; H349-Y392 HydrophobicContact CB-CE1 3.9Å; V380-Y392 HydrophobicContact CG1-CD1 3.97Å; V380-Y392 HydrophobicContact CG1-CG 4.23Å; P387-Y392 HydrophobicContact CB-CD1 3.87Å; P387-Y392 HydrophobicContact CB-CE1 3.66Å; P387-Y392 HydrophobicContact CG-CE1 4.07Å; P387-Y392 VanDerWaalsContact O-CD2 3.32Å; P387-Y392 WeakPolarHBondContact O-CD2 3.39Å; P387-Y392 WeakPolarHBondContact O-CE2 3.24Å; P387-Y392 PolarHBondContact O-N 3.34Å; D388-Y392 HydrophobicContact CB-CE2 4.48Å; D388-Y392 VanDerWaalsContact OD1-CE2 3.22Å; D388-Y392 WeakPolarHBondContact OD1-CE2 3.46Å; D388-Y392 PolarHBondContact OD1-OH 3Å; D388-Y392 PolarHBondContact OD2-OH 3.43Å; Y392-L394 PolarHBondContact O-N 3.32Å; Y392-W438 PolarHBondContact O-NE1 3.39Å
393	P	98.8	Very high	97.6	Very high	30 Å²	30	54.2 Å²	54.2	20%	0.195	30%	0.303	C	S	.	.			trans	-61.3	137	-176.1	25.6	-34.8	0	0	0	112.2	V380 G381 M413	V380-P393 WeakPolarHBondContact CA-O 3.33Å; G381-P393 PolarHBondContact N-O 3.42Å; P393-M413 WeakPolarHBondContact CA-O 3.33Å
394	L	98.9	Very high	97.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	134.1	177.3	179.9	63.2	0	0	0	110.8	F378 Y392 V396 L407 H410 N411 G412 M413 W438	F378-L394 HydrophobicContact CD2-CD1 3.94Å; F378-L394 HydrophobicContact CE2-CD1 3.56Å; Y392-L394 PolarHBondContact O-N 3.32Å; L394-V396 HydrophobicContact CD1-CB 4.3Å; L394-V396 HydrophobicContact CD2-CB 4.38Å; L394-V396 HydrophobicContact CD2-CG1 3.84Å; L394-V396 HydrophobicContact CG-CB 4.2Å; L394-V396 HydrophobicContact CG-CG1 4.03Å; L394-L407 HydrophobicContact CD2-CD1 4.07Å; L394-L407 HydrophobicContact CD2-CG 4.23Å; L394-H410 HydrophobicContact CD2-CB 3.92Å; L394-N411 PolarHBondContact O-OD1 3.07Å; L394-G412 VanDerWaalsContact O-CA 3.3Å; L394-G412 WeakPolarHBondContact O-CA 3.47Å; L394-G412 PolarHBondContact O-N 2.67Å; L394-M413 PolarHBondContact N-O 3.15Å; L394-W438 HydrophobicContact CB-CB 4.1Å; L394-W438 HydrophobicContact CB-CD2 3.84Å; L394-W438 HydrophobicContact CB-CG 3.59Å; L394-W438 HydrophobicContact CD1-CD2 4.18Å; L394-W438 HydrophobicContact CD1-CE3 4.26Å; L394-W438 HydrophobicContact CD1-CH2 4.39Å; L394-W438 HydrophobicContact CD1-CZ2 4.32Å; L394-W438 HydrophobicContact CD1-CZ3 4.37Å; L394-W438 HydrophobicContact CD2-CB 4.17Å; L394-W438 HydrophobicContact CD2-CD2 4.06Å; L394-W438 HydrophobicContact CD2-CE3 4.06Å; L394-W438 HydrophobicContact CD2-CG 4.15Å; L394-W438 HydrophobicContact CG-CD2 4.25Å; L394-W438 HydrophobicContact CG-CG 4.37Å
395	T	98.8	Very high	97.8	Very high	44 Å²	44	47.7 Å²	47.7	27%	0.27	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120.5	161.5	-57.5	0	0	0	0	107.9	T377 F378 G379 L382 N411	T377-T395 HydrophobicContact CG2-CG2 4.42Å; F378-T395 CarbonylContact C-O 3.49Å; F378-T395 VanDerWaalsContact CA-O 3.28Å; F378-T395 WeakPolarHBondContact CA-O 3.38Å; G379-T395 PolarHBondContact N-O 3.41Å; G379-T395 PolarHBondContact O-N 3.01Å; L382-T395 HydrophobicContact CD1-CG2 3.84Å; T395-N411 WeakPolarHBondContact CA-OD1 3.45Å
396	V	98.6	Very high	98	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.03	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	141.7	179	66.8	0	0	0	0	111	Y375 T377 L394 L407 L408 N411	Y375-V396 HydrophobicContact CD1-CG2 3.36Å; Y375-V396 HydrophobicContact CD2-CG2 4.23Å; Y375-V396 HydrophobicContact CE1-CG2 4.05Å; Y375-V396 HydrophobicContact CG-CG2 3.47Å; Y375-V396 VanDerWaalsContact CG-CG2 3.47Å; T377-V396 CarbonylContact O-C 3.53Å; T377-V396 VanDerWaalsContact O-CA 3.27Å; T377-V396 WeakPolarHBondContact O-CA 3.34Å; L394-V396 HydrophobicContact CD1-CB 4.3Å; L394-V396 HydrophobicContact CD2-CB 4.38Å; L394-V396 HydrophobicContact CD2-CG1 3.84Å; L394-V396 HydrophobicContact CG-CB 4.2Å; L394-V396 HydrophobicContact CG-CG1 4.03Å; V396-L407 HydrophobicContact CG1-CG 4.31Å; V396-L407 HydrophobicContact CG2-CD2 4.12Å; V396-L407 HydrophobicContact CG2-CG 4.49Å; V396-L408 HydrophobicContact CG1-CD2 4.38Å; V396-N411 HydrophobicContact CG1-CB 3.8Å; V396-N411 PolarHBondContact N-OD1 3.42Å; V396-N411 PolarHBondContact O-OD1 3.44Å
397	G	98.1	Very high	98	Very high	15 Å²	15	37.2 Å²	37.2	16%	0.155	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	176.2	-176.7	0	0	0	0	0	113.5	Y375 G376 T377 Y399	Y375-G397 CarbonylContact C-O 3.56Å; Y375-G397 WeakPolarHBondContact CA-O 3.46Å; Y375-G397 WeakPolarHBondContact CB-O 3.39Å; G376-G397 PolarHBondContact N-O 2.91Å; T377-G397 PolarHBondContact N-O 3.38Å; T377-G397 PolarHBondContact O-N 3Å; G397-Y399 PolarHBondContact O-N 2.97Å
398	D	97.7	Very high	98.2	Very high	113 Å²	113	39.3 Å²	39.3	60%	0.604	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	56.1	54.1	170.9	-47.5	-48.4	0	0	0	113.8	G376 T377	G376-D398 PolarHBondContact N-O 3.31Å; T377-D398 PolarHBondContact OG1-OD2 3.46Å
399	Y	98.6	Very high	98.3	Very high	67 Å²	67	44.1 Å²	44.1	26%	0.263	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	138.1	179.6	168.7	-99.4	0	0	0	112.7	A373 H374 Y375 G397 G401 G404 D405	A373-Y399 HydrophobicContact CB-CD2 4.46Å; A373-Y399 HydrophobicContact CB-CE2 3.85Å; H374-Y399 CarbonylContact O-C 3.55Å; H374-Y399 WeakPolarHBondContact O-CA 3.29Å; Y375-Y399 HydrophobicContact CD1-CD2 4.32Å; Y375-Y399 AromaticContact CE1-CD2 3.7Å; Y375-Y399 HydrophobicContact CE1-CD2 3.7Å; Y375-Y399 HydrophobicContact CE1-CG 4.23Å; Y375-Y399 HydrophobicContact CE2-CD2 4.42Å; Y375-Y399 AromaticContact CZ-CD2 3.73Å; G397-Y399 PolarHBondContact O-N 2.97Å; Y399-G401 PolarHBondContact OH-O 3.26Å; Y399-G404 WeakPolarHBondContact CE2-O 3.23Å; Y399-G404 WeakPolarHBondContact OH-CA 3.46Å; Y399-G404 PolarHBondContact OH-N 3Å; Y399-G404 PolarHBondContact OH-O 3.1Å; Y399-D405 HydrophobicContact CD1-CB 3.88Å; Y399-D405 HydrophobicContact CD2-CB 3.95Å; Y399-D405 HydrophobicContact CE1-CB 4.08Å; Y399-D405 HydrophobicContact CE2-CB 4.13Å; Y399-D405 HydrophobicContact CG-CB 3.82Å
400	S	98.4	Very high	98.5	Very high	54 Å²	54	38.3 Å²	38.3	38%	0.378	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	163.8	163.5	70.4	0	0	0	0	110.5	H374	H374-S400 PolarHBondContact N-O 3.17Å; H374-S400 PolarHBondContact ND1-OG 3.47Å; H374-S400 PolarHBondContact O-N 3.35Å
401	G	97.9	Very high	98.5	Very high	33 Å²	33	38.9 Å²	38.9	34%	0.34	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	133.1	-171.5	177.1	0	0	0	0	0	113.3	Y399	Y399-G401 PolarHBondContact OH-O 3.26Å
402	N	98.3	Very high	98.5	Very high	98 Å²	98	41 Å²	41	52%	0.524	24%	0.243	S	C	.	.	S	Bend	trans	-117.6	-3.8	-175.8	67.9	-11.6	0	0	0	114.1	A371 Y372 G404	A371-N402 WeakPolarHBondContact CA-OD1 3.26Å; Y372-N402 VanDerWaalsContact CD1-OD1 3.29Å; Y372-N402 WeakPolarHBondContact CD1-OD1 3.42Å; Y372-N402 PolarHBondContact N-OD1 3.4Å; Y372-N402 PolarHBondContact O-N 2.9Å; Y372-N402 PolarHBondContact O-OD1 2.92Å; N402-G404 VanDerWaalsContact C-N 3.27Å; N402-G404 PolarHBondContact O-N 3.3Å
403	A	98.3	Very high	98.5	Very high	1 Å²	1	42 Å²	42	1%	0.008	25%	0.248	C	C	.	.	S	Bend	trans	-80.6	-1.5	174.4	0	0	0	0	0	114	L363 A371 Y372 A373 W465 S467 W468	L363-A403 HydrophobicContact CD1-CB 3.93Å; A371-A403 HydrophobicContact CB-CB 3.69Å; Y372-A403 WeakPolarHBondContact O-CB 3.26Å; Y372-A403 PolarHBondContact O-N 2.83Å; A373-A403 HydrophobicContact CB-CB 4.47Å; A403-W465 VanDerWaalsContact O-CD1 3.3Å; A403-W465 PolarHBondContact O-NE1 3.25Å; A403-S467 CarbonylContact O-C 3.5Å; A403-S467 PolarHBondContact O-OG 3.23Å; A403-W468 HydrophobicContact CB-CB 4.43Å; A403-W468 WeakPolarHBondContact O-CB 3.29Å
404	G	98.6	Very high	98.5	Very high	25 Å²	25	44.5 Å²	44.5	26%	0.258	26%	0.256	S	S	.	.			trans	66.6	164.9	-162.7	0	0	0	0	0	112.8	Y399 N402 W465 S467	Y399-G404 WeakPolarHBondContact CE2-O 3.23Å; Y399-G404 WeakPolarHBondContact OH-CA 3.46Å; Y399-G404 PolarHBondContact OH-N 3Å; Y399-G404 PolarHBondContact OH-O 3.1Å; N402-G404 VanDerWaalsContact C-N 3.27Å; N402-G404 PolarHBondContact O-N 3.3Å; G404-W465 WeakPolarHBondContact O-CZ2 3.32Å; G404-W465 PolarHBondContact O-NE1 3.42Å; G404-S467 WeakPolarHBondContact CA-OG 3.5Å; G404-S467 PolarHBondContact O-OG 2.81Å
405	D	98.7	Very high	98.5	Very high	51 Å²	51	44.5 Å²	44.5	27%	0.273	26%	0.256	S	S	.	.			trans	-86.2	124.7	175.8	170.1	45	0	0	0	111	Y375 Y399 L407 L408	Y375-D405 PolarHBondContact OH-OD1 3.34Å; Y375-D405 VanDerWaalsContact OH-OD1 3.07Å; Y399-D405 HydrophobicContact CD1-CB 3.88Å; Y399-D405 HydrophobicContact CD2-CB 3.95Å; Y399-D405 HydrophobicContact CE1-CB 4.08Å; Y399-D405 HydrophobicContact CE2-CB 4.13Å; Y399-D405 HydrophobicContact CG-CB 3.82Å; D405-L407 PolarHBondContact OD1-N 2.96Å; D405-L408 WeakPolarHBondContact OD1-CG 3.28Å; D405-L408 PolarHBondContact OD1-N 3.43Å; D405-L408 VanDerWaalsContact OD2-CB 3.27Å; D405-L408 WeakPolarHBondContact OD2-CB 3.26Å; D405-L408 WeakPolarHBondContact OD2-CG 3.46Å
406	S	98.8	Very high	98.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.244	C	C	.	.			trans	-128.9	11.5	170.5	-69.9	0	0	0	0	112.8	H410 T444 S445 S466 S467	S406-H410 PolarHBondContact O-CD2 2.9Å; S406-T444 WeakPolarHBondContact CB-O 3.37Å; S406-T444 CarbonylContact O-C 3.6Å; S406-T444 WeakPolarHBondContact O-CB 3.43Å; S406-T444 PolarHBondContact O-OG1 3.02Å; S406-T444 PolarHBondContact OG-O 3.2Å; S406-S445 WeakPolarHBondContact O-CB 3.29Å; S406-S445 PolarHBondContact O-N 3.45Å; S406-S445 PolarHBondContact O-OG 2.91Å; S406-S466 PolarHBondContact OG-N 2.78Å; S406-S466 PolarHBondContact OG-OG 2.88Å; S406-S467 VanDerWaalsContact OG-CB 3.31Å; S406-S467 WeakPolarHBondContact OG-CB 3.32Å; S406-S467 PolarHBondContact OG-N 3.34Å; S406-S467 PolarHBondContact OG-OG 2.9Å
407	L	98.8	Very high	98.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-119.7	-28.5	-175.8	-164.1	58.8	0	0	0	114.1	L359 I361 Y375 L394 V396 D405 K409 H410 W437 W465	L359-L407 HydrophobicContact CD2-CD2 3.73Å; I361-L407 HydrophobicContact CD1-CD2 4.06Å; Y375-L407 HydrophobicContact CD2-CD2 4.36Å; Y375-L407 HydrophobicContact CE1-CB 3.98Å; Y375-L407 HydrophobicContact CE2-CB 4.12Å; Y375-L407 HydrophobicContact CE2-CD2 3.96Å; Y375-L407 WeakPolarHBondContact OH-CB 3.38Å; L394-L407 HydrophobicContact CD2-CD1 4.07Å; L394-L407 HydrophobicContact CD2-CG 4.23Å; V396-L407 HydrophobicContact CG1-CG 4.31Å; V396-L407 HydrophobicContact CG2-CD2 4.12Å; V396-L407 HydrophobicContact CG2-CG 4.49Å; D405-L407 PolarHBondContact OD1-N 2.96Å; L407-K409 PolarHBondContact O-N 2.93Å; L407-K409 VanDerWaalsContact O-N 3.11Å; L407-H410 HydrophobicContact CD1-CB 4.12Å; L407-H410 WeakPolarHBondContact O-CA 3.43Å; L407-H410 VanDerWaalsContact O-CB 3.23Å; L407-H410 WeakPolarHBondContact O-CB 3.3Å; L407-H410 PolarHBondContact O-N 3.21Å; L407-W437 HydrophobicContact CD1-CZ2 3.6Å; L407-W465 HydrophobicContact CB-CH2 4.03Å
408	L	98.6	Very high	98.6	Very high	65 Å²	65	45.5 Å²	45.5	34%	0.34	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-59.7	-30.5	-175.7	-66.7	177.9	0	0	0	113.2	Y375 V396 D405 H410 N411	Y375-L408 HydrophobicContact CD1-CD2 4Å; Y375-L408 HydrophobicContact CE1-CD2 3.97Å; Y375-L408 HydrophobicContact CE1-CG 4.06Å; V396-L408 HydrophobicContact CG1-CD2 4.38Å; D405-L408 WeakPolarHBondContact OD1-CG 3.28Å; D405-L408 PolarHBondContact OD1-N 3.43Å; D405-L408 VanDerWaalsContact OD2-CB 3.27Å; D405-L408 WeakPolarHBondContact OD2-CB 3.26Å; D405-L408 WeakPolarHBondContact OD2-CG 3.46Å; L408-H410 PolarHBondContact O-N 3.48Å; L408-N411 WeakPolarHBondContact O-CB 3.5Å; L408-N411 PolarHBondContact O-N 3.35Å
409	K	98.5	Very high	98.6	Very high	135 Å²	135	44.9 Å²	44.9	59%	0.587	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-66	-14.4	175.3	-69.3	-176	-173.5	169.8	0	114	L407 R440 T444	L407-K409 PolarHBondContact O-N 2.93Å; L407-K409 VanDerWaalsContact O-N 3.11Å; K409-R440 WeakPolarHBondContact O-CD 3.46Å; K409-T444 HydrophobicContact CD-CG2 3.85Å
410	H	98.8	Very high	98.6	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-92.5	-6.7	175.6	-63.6	-90.9	0	0	0	112.9	L394 S406 L407 L408 G412 M413 W437 W438 H443 T444 S445	L394-H410 HydrophobicContact CD2-CB 3.92Å; S406-H410 PolarHBondContact O-CD2 2.9Å; L407-H410 HydrophobicContact CD1-CB 4.12Å; L407-H410 WeakPolarHBondContact O-CA 3.43Å; L407-H410 VanDerWaalsContact O-CB 3.23Å; L407-H410 WeakPolarHBondContact O-CB 3.3Å; L407-H410 PolarHBondContact O-N 3.21Å; L408-H410 PolarHBondContact O-N 3.48Å; H410-G412 PolarHBondContact O-N 3.05Å; H410-M413 VanDerWaalsContact O-CB 3.3Å; H410-M413 WeakPolarHBondContact O-CB 3.46Å; H410-M413 WeakPolarHBondContact O-CG 3.47Å; H410-M413 PolarHBondContact O-N 3.17Å; H410-M413 VanDerWaalsContact O-N 3.07Å; H410-W437 AromaticContact CE1-CD1 3.44Å; H410-W437 VanDerWaalsContact CE1-CD1 3.44Å; H410-W437 AromaticContact CE1-NE1 3.65Å; H410-W437 AromaticContact CG-NE1 3.94Å; H410-W437 AromaticContact ND1-CD1 3.53Å; H410-W437 AromaticContact ND1-NE1 3.69Å; H410-W437 AromaticContact NE2-NE1 3.93Å; H410-W438 HydrophobicContact CB-CB 4.41Å; H410-W438 PolarHBondContact ND1-O 3.2Å; H410-H443 WeakPolarHBondContact CE1-CA 3.35Å; H410-H443 WeakPolarHBondContact CE1-CB 3.44Å; H410-T444 PolarHBondContact NE2-N 3.47Å; H410-T444 PolarHBondContact NE2-OG1 2.78Å; H410-S445 PolarHBondContact NE2-N 2.62Å
411	N	98.8	Very high	98.6	Very high	77 Å²	77	45.2 Å²	45.2	41%	0.412	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	134.6	178.6	-173	38.7	0	0	0	111.3	L394 T395 V396 L408 M413	L394-N411 PolarHBondContact O-OD1 3.07Å; T395-N411 WeakPolarHBondContact CA-OD1 3.45Å; V396-N411 HydrophobicContact CG1-CB 3.8Å; V396-N411 PolarHBondContact N-OD1 3.42Å; V396-N411 PolarHBondContact O-OD1 3.44Å; L408-N411 WeakPolarHBondContact O-CB 3.5Å; L408-N411 PolarHBondContact O-N 3.35Å; N411-M413 PolarHBondContact O-N 3.47Å
412	G	98.4	Very high	98.6	Very high	45 Å²	45	45.5 Å²	45.5	46%	0.464	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	-6.7	-177.1	0	0	0	0	0	115.2	L394 H410	L394-G412 VanDerWaalsContact O-CA 3.3Å; L394-G412 WeakPolarHBondContact O-CA 3.47Å; L394-G412 PolarHBondContact O-N 2.67Å; H410-G412 PolarHBondContact O-N 3.05Å
413	M	98.8	Very high	98.6	Very high	23 Å²	23	41.7 Å²	41.7	11%	0.113	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-77	147	178.8	-59.3	-61.2	88.1	0	0	111.3	P393 L394 H410 N411 W438 R440	P393-M413 WeakPolarHBondContact CA-O 3.33Å; L394-M413 PolarHBondContact N-O 3.15Å; H410-M413 VanDerWaalsContact O-CB 3.3Å; H410-M413 WeakPolarHBondContact O-CB 3.46Å; H410-M413 WeakPolarHBondContact O-CG 3.47Å; H410-M413 PolarHBondContact O-N 3.17Å; H410-M413 VanDerWaalsContact O-N 3.07Å; N411-M413 PolarHBondContact O-N 3.47Å; M413-W438 HydrophobicContact CB-CB 4.17Å; M413-W438 VanDerWaalsContact O-CD1 3.24Å; M413-R440 HydrophobicContact CG-CB 3.9Å; M413-R440 HydrophobicContact CG-CG 4.34Å; M413-R440 HydrophobicContact SD-CB 3.81Å; M413-R440 HydrophobicContact SD-CG 3.66Å
414	K	98.8	Very high	98.6	Very high	83 Å²	83	47.4 Å²	47.4	36%	0.361	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-78.7	156.1	171.9	-63.7	-177.4	177.1	-159.9	0	110.1	D390 N422 W438	D390-K414 WeakPolarHBondContact O-CD 3.33Å; D390-K414 WeakPolarHBondContact O-CE 3.4Å; D390-K414 WeakPolarHBondContact O-CG 3.49Å; D390-K414 PolarHBondContact O-NZ 3.31Å; K414-N422 HydrophobicContact CB-CB 3.56Å; K414-N422 HydrophobicContact CD-CB 4.1Å; K414-N422 HydrophobicContact CG-CB 4.48Å; K414-W438 WeakPolarHBondContact O-CA 3.37Å
415	F	98.9	Very high	98.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-76.2	134.8	176.9	-159	-95.4	0	0	0	110.2	W327 Y330 W342 L345 G391 T417 N422 A436 W438	W327-F415 HydrophobicContact CZ3-CB 4.15Å; W327-F415 HydrophobicContact CZ3-CD1 4.17Å; W327-F415 WeakPolarHBondContact CZ3-O 3.5Å; Y330-F415 AromaticContact CD1-CE1 3.67Å; Y330-F415 HydrophobicContact CD1-CE1 3.67Å; Y330-F415 AromaticContact CD1-CZ 3.57Å; Y330-F415 HydrophobicContact CD1-CZ 3.57Å; Y330-F415 HydrophobicContact CD2-CE1 4.32Å; Y330-F415 HydrophobicContact CE1-CE1 4.34Å; Y330-F415 AromaticContact CE1-CZ 3.95Å; Y330-F415 HydrophobicContact CE1-CZ 3.95Å; Y330-F415 AromaticContact CG-CE1 3.66Å; Y330-F415 HydrophobicContact CG-CE1 3.66Å; Y330-F415 HydrophobicContact CG-CZ 4.07Å; W342-F415 HydrophobicContact CH2-CE2 4.37Å; W342-F415 HydrophobicContact CZ2-CE2 4.39Å; W342-F415 HydrophobicContact CZ2-CZ 4.4Å; L345-F415 HydrophobicContact CD1-CB 4.25Å; L345-F415 HydrophobicContact CD1-CD1 3.72Å; L345-F415 HydrophobicContact CD1-CE1 4.17Å; L345-F415 HydrophobicContact CD1-CG 3.94Å; L345-F415 HydrophobicContact CD2-CD2 4.11Å; L345-F415 HydrophobicContact CD2-CE2 4.44Å; L345-F415 HydrophobicContact CD2-CG 4.2Å; G391-F415 PolarHBondContact O-N 3.24Å; F415-T417 HydrophobicContact CD1-CG2 4.18Å; F415-T417 HydrophobicContact CE1-CG2 3.92Å; F415-N422 PolarHBondContact O-ND2 3.41Å; F415-A436 HydrophobicContact CE1-CB 3.62Å; F415-A436 HydrophobicContact CZ-CB 3.79Å; F415-A436 WeakPolarHBondContact CZ-O 3.38Å; F415-W438 AromaticContact CD2-CD1 3.88Å; F415-W438 AromaticContact CD2-CD2 3.73Å; F415-W438 HydrophobicContact CD2-CD2 3.73Å; F415-W438 AromaticContact CD2-CE2 3.58Å; F415-W438 HydrophobicContact CD2-CE3 4.31Å; F415-W438 AromaticContact CD2-CG 3.95Å; F415-W438 HydrophobicContact CD2-CG 3.95Å; F415-W438 HydrophobicContact CD2-CZ2 4.04Å; F415-W438 AromaticContact CD2-NE1 3.68Å; F415-W438 HydrophobicContact CE2-CD2 4.24Å; F415-W438 HydrophobicContact CE2-CE3 4.37Å; F415-W438 HydrophobicContact CE2-CZ2 4.39Å
416	T	98.9	Very high	98.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-123.7	134.3	-178.6	-69.5	0	0	0	0	110.3	K420 N422 D423 A430 A436 W437 Y439	T416-K420 WeakPolarHBondContact CA-O 3.28Å; T416-N422 VanDerWaalsContact OG1-C 3.27Å; T416-N422 WeakPolarHBondContact OG1-CA 3.37Å; T416-N422 PolarHBondContact OG1-N 2.83Å; T416-D423 HydrophobicContact CG2-CB 4.41Å; T416-D423 WeakPolarHBondContact CG2-OD2 3.17Å; T416-D423 PolarHBondContact OG1-N 3.23Å; T416-D423 VanDerWaalsContact OG1-N 3.08Å; T416-A430 HydrophobicContact CG2-CB 3.9Å; T416-A436 WeakPolarHBondContact O-CA 3.47Å; T416-A436 WeakPolarHBondContact O-CB 3.4Å; T416-W437 PolarHBondContact N-O 3.49Å; T416-W437 PolarHBondContact O-N 3.44Å; T416-Y439 HydrophobicContact CG2-CD2 4.23Å
417	T	98.9	Very high	98.3	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-121.6	168.8	173	53.8	0	0	0	0	110	W327 Y330 F415 D419 K420 N428 A436	W327-T417 WeakPolarHBondContact CA-OG1 3.47Å; W327-T417 HydrophobicContact CE3-CG2 4.29Å; W327-T417 PolarHBondContact N-OG1 3.06Å; Y330-T417 HydrophobicContact CD2-CG2 3.69Å; Y330-T417 HydrophobicContact CE2-CG2 4.46Å; Y330-T417 HydrophobicContact CG-CG2 4.16Å; F415-T417 HydrophobicContact CD1-CG2 4.18Å; F415-T417 HydrophobicContact CE1-CG2 3.92Å; T417-D419 WeakPolarHBondContact CB-OD1 3.35Å; T417-D419 PolarHBondContact O-N 3.4Å; T417-D419 PolarHBondContact OG1-OD1 3.42Å; T417-K420 PolarHBondContact N-O 3.2Å; T417-K420 CarbonylContact O-C 3.35Å; T417-K420 PolarHBondContact O-N 3.19Å; T417-K420 VanDerWaalsContact O-N 3.16Å; T417-K420 VanDerWaalsContact O-O 3.12Å; T417-K420 PolarHBondContact OG1-N 3.33Å; T417-N428 PolarHBondContact O-ND2 3.36Å; T417-A436 HydrophobicContact CG2-CB 3.72Å
418	K	98.6	Very high	98.3	Very high	84 Å²	84	60.7 Å²	60.7	37%	0.365	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-20.6	179.6	69.1	-174	-177	-173	0	115	F324	F324-K418 HydrophobicContact CD1-CD 4.22Å; F324-K418 HydrophobicContact CD2-CD 4.23Å; F324-K418 HydrophobicContact CE1-CD 3.8Å; F324-K418 HydrophobicContact CE2-CB 3.74Å; F324-K418 HydrophobicContact CE2-CD 3.8Å; F324-K418 HydrophobicContact CE2-CG 4.35Å; F324-K418 HydrophobicContact CG-CD 4.43Å; F324-K418 HydrophobicContact CZ-CB 3.83Å; F324-K418 HydrophobicContact CZ-CD 3.57Å; F324-K418 HydrophobicContact CZ-CG 4.36Å; F324-K418 PolarHBondContact O-NZ 3.5Å
419	D	98.6	Very high	98.3	Very high	100 Å²	100	57.6 Å²	57.6	54%	0.535	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	0.1	-176.8	61	-16	0	0	0	113.9	G326 W327 T417	G326-D419 WeakPolarHBondContact CA-OD1 3.16Å; G326-D419 VanDerWaalsContact CA-OD2 3.23Å; G326-D419 WeakPolarHBondContact CA-OD2 3.35Å; W327-D419 PolarHBondContact N-OD1 3.46Å; W327-D419 PolarHBondContact N-OD2 3.35Å; W327-D419 VanDerWaalsContact N-OD2 3.15Å; T417-D419 WeakPolarHBondContact CB-OD1 3.35Å; T417-D419 PolarHBondContact O-N 3.4Å; T417-D419 PolarHBondContact OG1-OD1 3.42Å
420	K	98.3	Very high	98.3	Very high	54 Å²	54	51.2 Å²	51.2	24%	0.235	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-143.6	101	172.2	-166.5	-177.8	-177.3	178.4	0	109.3	W327 D388 T416 T417	W327-K420 HydrophobicContact CB-CB 4.12Å; W327-K420 HydrophobicContact CD2-CB 4.23Å; W327-K420 HydrophobicContact CD2-CD 3.37Å; W327-K420 HydrophobicContact CD2-CG 4.4Å; W327-K420 HydrophobicContact CE3-CB 4.01Å; W327-K420 HydrophobicContact CE3-CD 3.52Å; W327-K420 HydrophobicContact CE3-CG 4.28Å; W327-K420 HydrophobicContact CG-CB 4.29Å; W327-K420 HydrophobicContact CG-CD 3.84Å; W327-K420 HydrophobicContact CH2-CD 4.03Å; W327-K420 HydrophobicContact CZ2-CD 3.91Å; W327-K420 VanDerWaalsContact CZ2-NZ 3.27Å; W327-K420 HydrophobicContact CZ3-CD 3.85Å; D388-K420 PolarHBondContact O-NZ 3.12Å; T416-K420 WeakPolarHBondContact CA-O 3.28Å; T417-K420 PolarHBondContact N-O 3.2Å; T417-K420 CarbonylContact O-C 3.35Å; T417-K420 PolarHBondContact O-N 3.19Å; T417-K420 VanDerWaalsContact O-N 3.16Å; T417-K420 VanDerWaalsContact O-O 3.12Å; T417-K420 PolarHBondContact OG1-N 3.33Å
421	D	98.6	Very high	98.3	Very high	74 Å²	74	53.4 Å²	53.4	40%	0.396	28%	0.28	S	S	.	.			trans	-88	115.4	-179.3	-162.6	-18.3	0	0	0	111	D423 N428	D421-D423 VanDerWaalsContact OD1-CG 3.23Å; D421-D423 PolarHBondContact OD1-N 3.48Å; D421-D423 VanDerWaalsContact OD1-N 3.14Å; D421-N428 WeakPolarHBondContact OD2-CA 3.46Å; D421-N428 VanDerWaalsContact OD2-CB 3.27Å; D421-N428 WeakPolarHBondContact OD2-CB 3.27Å; D421-N428 PolarHBondContact OD2-N 3.47Å
422	N	98.1	Very high	98.2	Very high	39 Å²	39	55.7 Å²	55.7	21%	0.209	29%	0.287	C	S	.	.			trans	-128.9	15.4	175.7	-54.9	-64.2	0	0	0	111.9	K414 F415 T416	K414-N422 HydrophobicContact CB-CB 3.56Å; K414-N422 HydrophobicContact CD-CB 4.1Å; K414-N422 HydrophobicContact CG-CB 4.48Å; F415-N422 PolarHBondContact O-ND2 3.41Å; T416-N422 VanDerWaalsContact OG1-C 3.27Å; T416-N422 WeakPolarHBondContact OG1-CA 3.37Å; T416-N422 PolarHBondContact OG1-N 2.83Å
423	D	98.2	Very high	98.2	Very high	18 Å²	18	55 Å²	55	10%	0.096	27%	0.271	C	S	.	.	S	Bend	trans	-88.5	179.2	-178.3	69.5	56	0	0	0	111.8	T416 D421 S425 C429	T416-D423 HydrophobicContact CG2-CB 4.41Å; T416-D423 WeakPolarHBondContact CG2-OD2 3.17Å; T416-D423 PolarHBondContact OG1-N 3.23Å; T416-D423 VanDerWaalsContact OG1-N 3.08Å; D421-D423 VanDerWaalsContact OD1-CG 3.23Å; D421-D423 PolarHBondContact OD1-N 3.48Å; D421-D423 VanDerWaalsContact OD1-N 3.14Å; D423-S425 WeakPolarHBondContact OD1-CA 3.12Å; D423-S425 VanDerWaalsContact OD1-CB 3.22Å; D423-S425 WeakPolarHBondContact OD1-CB 3.37Å; D423-S425 PolarHBondContact OD1-N 3.4Å; D423-C429 VanDerWaalsContact CG-SG 3.51Å; D423-C429 WeakPolarHBondContact OD2-CB 3.31Å; D423-C429 PolarHBondContact OD2-N 3.11Å; D423-C429 PolarHBondContact OD2-SG 3Å; D423-C429 VanDerWaalsContact OD2-SG 3.32Å
424	H	98.1	Very high	98.2	Very high	121 Å²	121	57.1 Å²	57.1	56%	0.56	28%	0.28	S	S	*	.	S	Bend	trans	-103	10.1	-178.5	-64.6	-178.8	0	0	0	112.6	R440	H424-R440 CarbonylContact C-O 3.59Å; H424-R440 WeakPolarHBondContact CA-O 3.45Å; H424-R440 WeakPolarHBondContact CB-O 3.38Å; H424-R440 PolarHBondContact N-O 3.47Å
425	S	97.6	Very high	98.2	Very high	25 Å²	25	53.2 Å²	53.2	18%	0.175	26%	0.263	C	S	.	.	S	Bend	trans	-82.4	161.2	175.1	165.9	0	0	0	0	110.3	D423 N427 C429 R440 N441	D423-S425 WeakPolarHBondContact OD1-CA 3.12Å; D423-S425 VanDerWaalsContact OD1-CB 3.22Å; D423-S425 WeakPolarHBondContact OD1-CB 3.37Å; D423-S425 PolarHBondContact OD1-N 3.4Å; S425-N427 WeakPolarHBondContact CB-O 3.31Å; S425-N427 PolarHBondContact OG-N 3.46Å; S425-N427 PolarHBondContact OG-O 2.92Å; S425-C429 WeakPolarHBondContact CB-SG 3.16Å; S425-R440 PolarHBondContact N-O 2.91Å; S425-N441 VanDerWaalsContact CB-OD1 3.3Å; S425-N441 WeakPolarHBondContact CB-OD1 3.07Å
426	E	96.8	Very high	98.2	Very high	194 Å²	194	53.2 Å²	53.2	91%	0.907	26%	0.263	S	S	*	.	S	Bend	trans	-74.7	-20	170.7	-63.3	179.2	177.3	0	0	111.9
427	N	96.4	Very high	98.2	Very high	109 Å²	109	53.2 Å²	53.2	58%	0.583	26%	0.263	S	S	*	.	S	Bend	trans	-119	154.4	176.6	-56.9	-67.2	0	0	0	110	S425 C429	S425-N427 WeakPolarHBondContact CB-O 3.31Å; S425-N427 PolarHBondContact OG-N 3.46Å; S425-N427 PolarHBondContact OG-O 2.92Å; N427-C429 PolarHBondContact O-N 3.48Å
428	N	98.4	Very high	98.2	Very high	28 Å²	28	53.2 Å²	53.2	15%	0.15	26%	0.263	C	S	.	.			trans	-66.1	109	175.4	-176.4	-50.9	0	0	0	111.6	T417 D421 A430 S431 F432	T417-N428 PolarHBondContact O-ND2 3.36Å; D421-N428 WeakPolarHBondContact OD2-CA 3.46Å; D421-N428 VanDerWaalsContact OD2-CB 3.27Å; D421-N428 WeakPolarHBondContact OD2-CB 3.27Å; D421-N428 PolarHBondContact OD2-N 3.47Å; N428-A430 VanDerWaalsContact C-N 3.29Å; N428-A430 PolarHBondContact O-N 2.75Å; N428-A430 WeakPolarHBondContact OD1-CA 3.3Å; N428-A430 VanDerWaalsContact OD1-CB 3.26Å; N428-A430 WeakPolarHBondContact OD1-CB 3.39Å; N428-A430 PolarHBondContact OD1-N 3.02Å; N428-S431 PolarHBondContact O-N 3.27Å; N428-S431 PolarHBondContact OD1-N 3.48Å; N428-F432 PolarHBondContact O-N 2.99Å; N428-F432 VanDerWaalsContact O-N 3.08Å
429	C	98.6	Very high	98.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-36.6	-178.9	-68	0	0	0	0	112.3	D423 S425 N427 S431 F432 Y433 Y439 C442	D423-C429 VanDerWaalsContact CG-SG 3.51Å; D423-C429 WeakPolarHBondContact OD2-CB 3.31Å; D423-C429 PolarHBondContact OD2-N 3.11Å; D423-C429 PolarHBondContact OD2-SG 3Å; D423-C429 VanDerWaalsContact OD2-SG 3.32Å; S425-C429 WeakPolarHBondContact CB-SG 3.16Å; N427-C429 PolarHBondContact O-N 3.48Å; C429-S431 VanDerWaalsContact C-N 3.32Å; C429-S431 PolarHBondContact O-N 3.07Å; C429-F432 PolarHBondContact O-N 3.41Å; C429-Y433 HydrophobicContact CB-CD2 4.49Å; C429-Y433 WeakPolarHBondContact O-CD2 3.45Å; C429-Y433 PolarHBondContact O-N 3.22Å; C429-Y439 HydrophobicContact CB-CD1 3.81Å; C429-Y439 HydrophobicContact CB-CD2 3.84Å; C429-Y439 HydrophobicContact CB-CE1 4.43Å; C429-Y439 HydrophobicContact CB-CE2 4.44Å; C429-Y439 HydrophobicContact CB-CG 3.49Å; C429-Y439 VanDerWaalsContact CB-CG 3.49Å; C429-C442 HydrophobicContact CB-CB 3.62Å; C429-C442 WeakPolarHBondContact CB-SG 3.23Å; C429-C442 WeakPolarHBondContact SG-CA 3.23Å; C429-C442 WeakPolarHBondContact SG-CB 3.46Å; C429-C442 CovalentContact SG-SG 2.03Å; C429-C442 PolarHBondContact SG-SG 3.23Å
430	A	98.6	Very high	98.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.1	-39.9	178.7	0	0	0	0	0	112	F324 T416 N428 H434 G435 Y439	F324-A430 WeakPolarHBondContact CE2-O 3.48Å; T416-A430 HydrophobicContact CG2-CB 3.9Å; N428-A430 VanDerWaalsContact C-N 3.29Å; N428-A430 PolarHBondContact O-N 2.75Å; N428-A430 WeakPolarHBondContact OD1-CA 3.3Å; N428-A430 VanDerWaalsContact OD1-CB 3.26Å; N428-A430 WeakPolarHBondContact OD1-CB 3.39Å; N428-A430 PolarHBondContact OD1-N 3.02Å; A430-H434 WeakPolarHBondContact O-CA 3.41Å; A430-H434 PolarHBondContact O-N 3Å; A430-G435 VanDerWaalsContact CB-O 3.31Å; A430-G435 WeakPolarHBondContact CB-O 3.49Å; A430-G435 PolarHBondContact O-N 3Å; A430-G435 VanDerWaalsContact O-N 3.11Å; A430-Y439 VanDerWaalsContact CA-CE2 3.42Å; A430-Y439 HydrophobicContact CB-CD2 4.12Å; A430-Y439 HydrophobicContact CB-CE2 3.64Å
431	S	98.1	Very high	98.2	Very high	47 Å²	47	53.6 Å²	53.6	33%	0.329	26%	0.262	S	S	.	.	H	α-helix	trans	-69.4	-40.4	175.6	-68.6	0	0	0	0	112.3	N428 C429	N428-S431 PolarHBondContact O-N 3.27Å; N428-S431 PolarHBondContact OD1-N 3.48Å; C429-S431 VanDerWaalsContact C-N 3.32Å; C429-S431 PolarHBondContact O-N 3.07Å
432	F	97.7	Very high	98.1	Very high	126 Å²	126	50.9 Å²	50.9	55%	0.553	25%	0.248	S	C	*	.	H	α-helix	trans	-70.8	-41.8	-178.5	-164.8	-85.2	0	0	0	112.8	N428 C429	N428-F432 PolarHBondContact O-N 2.99Å; N428-F432 VanDerWaalsContact O-N 3.08Å; C429-F432 PolarHBondContact O-N 3.41Å
433	Y	98.3	Very high	98.1	Very high	31 Å²	31	49.9 Å²	49.9	12%	0.122	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	17.6	-177.8	-63.3	-75.6	0	0	0	113.3	C429 G435 C442 H443 N446 Y459 A460	C429-Y433 HydrophobicContact CB-CD2 4.49Å; C429-Y433 WeakPolarHBondContact O-CD2 3.45Å; C429-Y433 PolarHBondContact O-N 3.22Å; Y433-G435 VanDerWaalsContact C-N 3.28Å; Y433-G435 PolarHBondContact O-N 3.48Å; Y433-G435 VanDerWaalsContact O-N 3.1Å; Y433-C442 HydrophobicContact CD2-CB 3.68Å; Y433-C442 HydrophobicContact CE2-CB 3.29Å; Y433-C442 VanDerWaalsContact CE2-SG 3.52Å; Y433-H443 AromaticContact CD1-NE2 3.3Å; Y433-H443 VanDerWaalsContact CD1-NE2 3.3Å; Y433-H443 WeakPolarHBondContact CD1-NE2 3.42Å; Y433-H443 AromaticContact CD2-CD2 3.77Å; Y433-H443 AromaticContact CD2-NE2 3.82Å; Y433-H443 AromaticContact CE1-NE2 3.73Å; Y433-H443 AromaticContact CG-CD2 3.73Å; Y433-H443 AromaticContact CG-NE2 3.32Å; Y433-H443 VanDerWaalsContact CG-NE2 3.32Å; Y433-N446 PolarHBondContact O-ND2 3.4Å; Y433-Y459 WeakPolarHBondContact CD1-O 3.39Å; Y433-Y459 AromaticContact CE1-CD1 3.86Å; Y433-Y459 HydrophobicContact CE1-CD1 3.86Å; Y433-Y459 HydrophobicContact CE1-CE1 4.16Å; Y433-Y459 WeakPolarHBondContact CE1-O 3.43Å; Y433-A460 HydrophobicContact CD1-CB 4.07Å; Y433-A460 WeakPolarHBondContact CD1-O 3.43Å; Y433-A460 HydrophobicContact CE1-CB 3.89Å
434	H	98.1	Very high	98.2	Very high	67 Å²	67	49.8 Å²	49.8	31%	0.31	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	47	43.5	171.5	-65.3	-63.3	0	0	0	115.5	F324 A430 Q450 D461	F324-H434 VanDerWaalsContact CD2-C 3.48Å; F324-H434 HydrophobicContact CD2-CB 4.47Å; F324-H434 AromaticContact CZ-ND1 3.99Å; A430-H434 WeakPolarHBondContact O-CA 3.41Å; A430-H434 PolarHBondContact O-N 3Å; H434-Q450 HydrophobicContact CB-CG 3.53Å; H434-Q450 PolarHBondContact CD2-NE2 3.2Å; H434-D461 IonicContact CD2-OD2 3.88Å
435	G	98.1	Very high	98.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-145.7	-159.1	-178	0	0	0	0	0	112.7	A430 Y433 N448	A430-G435 VanDerWaalsContact CB-O 3.31Å; A430-G435 WeakPolarHBondContact CB-O 3.49Å; A430-G435 PolarHBondContact O-N 3Å; A430-G435 VanDerWaalsContact O-N 3.11Å; Y433-G435 VanDerWaalsContact C-N 3.28Å; Y433-G435 PolarHBondContact O-N 3.48Å; Y433-G435 VanDerWaalsContact O-N 3.1Å; G435-N448 WeakPolarHBondContact CA-O 3.49Å
436	A	98.9	Very high	98.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.207	C	C	.	.			trans	-151.3	131	166	0	0	0	0	0	109.7	Y330 F415 T416 T417 N448	Y330-A436 HydrophobicContact CD1-CB 4.28Å; Y330-A436 HydrophobicContact CD2-CB 3.64Å; Y330-A436 HydrophobicContact CE1-CB 3.95Å; Y330-A436 HydrophobicContact CE2-CB 3.21Å; Y330-A436 HydrophobicContact CG-CB 4.15Å; F415-A436 HydrophobicContact CE1-CB 3.62Å; F415-A436 HydrophobicContact CZ-CB 3.79Å; F415-A436 WeakPolarHBondContact CZ-O 3.38Å; T416-A436 WeakPolarHBondContact O-CA 3.47Å; T416-A436 WeakPolarHBondContact O-CB 3.4Å; T417-A436 HydrophobicContact CG2-CB 3.72Å; A436-N448 WeakPolarHBondContact O-CB 3.38Å; A436-N448 PolarHBondContact O-ND2 3.04Å
437	W	98.9	Very high	98.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-159.3	172.2	-169.5	-156.5	-119.3	0	0	0	111.3	L407 H410 T416 Y439 S445 L447 N448 M480	L407-W437 HydrophobicContact CD1-CZ2 3.6Å; H410-W437 AromaticContact CE1-CD1 3.44Å; H410-W437 VanDerWaalsContact CE1-CD1 3.44Å; H410-W437 AromaticContact CE1-NE1 3.65Å; H410-W437 AromaticContact CG-NE1 3.94Å; H410-W437 AromaticContact ND1-CD1 3.53Å; H410-W437 AromaticContact ND1-NE1 3.69Å; H410-W437 AromaticContact NE2-NE1 3.93Å; T416-W437 PolarHBondContact N-O 3.49Å; T416-W437 PolarHBondContact O-N 3.44Å; W437-Y439 HydrophobicContact CB-CD1 3.93Å; W437-Y439 HydrophobicContact CB-CD2 3.84Å; W437-Y439 HydrophobicContact CB-CE1 3.67Å; W437-Y439 HydrophobicContact CB-CE2 3.58Å; W437-Y439 HydrophobicContact CB-CG 4.01Å; W437-Y439 VanDerWaalsContact CB-CZ 3.5Å; W437-Y439 HydrophobicContact CG-CE1 4.49Å; W437-Y439 VanDerWaalsContact N-CE2 3.28Å; W437-Y439 WeakPolarHBondContact O-CD2 3.31Å; W437-Y439 PolarHBondContact O-N 3.27Å; W437-S445 VanDerWaalsContact CD1-O 3.31Å; W437-S445 PolarHBondContact NE1-O 2.93Å; W437-S445 PolarHBondContact NE1-OG 3.48Å; W437-L447 HydrophobicContact CH2-CB 4.19Å; W437-L447 HydrophobicContact CH2-CD1 4.19Å; W437-L447 HydrophobicContact CH2-CG 4.31Å; W437-L447 HydrophobicContact CZ3-CB 4.29Å; W437-N448 HydrophobicContact CE3-CB 4.35Å; W437-M480 HydrophobicContact CH2-CE 3.75Å; W437-M480 HydrophobicContact CH2-SD 3.62Å; W437-M480 HydrophobicContact CZ3-CE 4.45Å; W437-M480 HydrophobicContact CZ3-SD 3.97Å
438	W	98.9	Very high	98.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.136	C	C	.	.			trans	-75.2	61.6	165.2	-61.9	-80.1	0	0	0	110.6	W342 L345 V380 Y392 L394 H410 M413 K414 F415 M480	W342-W438 HydrophobicContact CH2-CH2 4.06Å; L345-W438 HydrophobicContact CD2-CZ2 4.15Å; V380-W438 HydrophobicContact CG1-CZ2 4.26Å; V380-W438 HydrophobicContact CG2-CH2 4.22Å; V380-W438 HydrophobicContact CG2-CZ2 3.61Å; Y392-W438 PolarHBondContact O-NE1 3.39Å; L394-W438 HydrophobicContact CB-CB 4.1Å; L394-W438 HydrophobicContact CB-CD2 3.84Å; L394-W438 HydrophobicContact CB-CG 3.59Å; L394-W438 HydrophobicContact CD1-CD2 4.18Å; L394-W438 HydrophobicContact CD1-CE3 4.26Å; L394-W438 HydrophobicContact CD1-CH2 4.39Å; L394-W438 HydrophobicContact CD1-CZ2 4.32Å; L394-W438 HydrophobicContact CD1-CZ3 4.37Å; L394-W438 HydrophobicContact CD2-CB 4.17Å; L394-W438 HydrophobicContact CD2-CD2 4.06Å; L394-W438 HydrophobicContact CD2-CE3 4.06Å; L394-W438 HydrophobicContact CD2-CG 4.15Å; L394-W438 HydrophobicContact CG-CD2 4.25Å; L394-W438 HydrophobicContact CG-CG 4.37Å; H410-W438 HydrophobicContact CB-CB 4.41Å; H410-W438 PolarHBondContact ND1-O 3.2Å; M413-W438 HydrophobicContact CB-CB 4.17Å; M413-W438 VanDerWaalsContact O-CD1 3.24Å; K414-W438 WeakPolarHBondContact O-CA 3.37Å; F415-W438 AromaticContact CD2-CD1 3.88Å; F415-W438 AromaticContact CD2-CD2 3.73Å; F415-W438 HydrophobicContact CD2-CD2 3.73Å; F415-W438 AromaticContact CD2-CE2 3.58Å; F415-W438 HydrophobicContact CD2-CE3 4.31Å; F415-W438 AromaticContact CD2-CG 3.95Å; F415-W438 HydrophobicContact CD2-CG 3.95Å; F415-W438 HydrophobicContact CD2-CZ2 4.04Å; F415-W438 AromaticContact CD2-NE1 3.68Å; F415-W438 HydrophobicContact CE2-CD2 4.24Å; F415-W438 HydrophobicContact CE2-CE3 4.37Å; F415-W438 HydrophobicContact CE2-CZ2 4.39Å; W438-M480 HydrophobicContact CZ3-CE 4.49Å
439	Y	98.9	Very high	98.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.13	C	C	.	.			trans	-63.1	146.1	-175.3	-68.3	-66.3	0	0	0	112	T416 C429 A430 W437 C442 H443 N446	T416-Y439 HydrophobicContact CG2-CD2 4.23Å; C429-Y439 HydrophobicContact CB-CD1 3.81Å; C429-Y439 HydrophobicContact CB-CD2 3.84Å; C429-Y439 HydrophobicContact CB-CE1 4.43Å; C429-Y439 HydrophobicContact CB-CE2 4.44Å; C429-Y439 HydrophobicContact CB-CG 3.49Å; C429-Y439 VanDerWaalsContact CB-CG 3.49Å; A430-Y439 VanDerWaalsContact CA-CE2 3.42Å; A430-Y439 HydrophobicContact CB-CD2 4.12Å; A430-Y439 HydrophobicContact CB-CE2 3.64Å; W437-Y439 HydrophobicContact CB-CD1 3.93Å; W437-Y439 HydrophobicContact CB-CD2 3.84Å; W437-Y439 HydrophobicContact CB-CE1 3.67Å; W437-Y439 HydrophobicContact CB-CE2 3.58Å; W437-Y439 HydrophobicContact CB-CG 4.01Å; W437-Y439 VanDerWaalsContact CB-CZ 3.5Å; W437-Y439 HydrophobicContact CG-CE1 4.49Å; W437-Y439 VanDerWaalsContact N-CE2 3.28Å; W437-Y439 WeakPolarHBondContact O-CD2 3.31Å; W437-Y439 PolarHBondContact O-N 3.27Å; Y439-C442 WeakPolarHBondContact CA-O 3.45Å; Y439-C442 HydrophobicContact CD1-CB 4.43Å; Y439-H443 HydrophobicContact CD1-CB 3.89Å; Y439-H443 HydrophobicContact CE1-CB 4.02Å; Y439-H443 AromaticContact CE1-CD2 3.73Å; Y439-N446 PolarHBondContact OH-OD1 3.09Å
440	R	98.4	Very high	98.5	Very high	133 Å²	133	30.3 Å²	30.3	50%	0.502	15%	0.145	S	C	.	.	S	Bend	trans	-107.8	-85.6	171.7	-174.4	172.5	-176.6	-138.1	0.5	110.3	K409 M413 H424 S425 C442	K409-R440 WeakPolarHBondContact O-CD 3.46Å; M413-R440 HydrophobicContact CG-CB 3.9Å; M413-R440 HydrophobicContact CG-CG 4.34Å; M413-R440 HydrophobicContact SD-CB 3.81Å; M413-R440 HydrophobicContact SD-CG 3.66Å; H424-R440 CarbonylContact C-O 3.59Å; H424-R440 WeakPolarHBondContact CA-O 3.45Å; H424-R440 WeakPolarHBondContact CB-O 3.38Å; H424-R440 PolarHBondContact N-O 3.47Å; S425-R440 PolarHBondContact N-O 2.91Å; R440-C442 PolarHBondContact N-O 2.98Å
441	N	97.6	Very high	98.5	Very high	114 Å²	114	32.1 Å²	32.1	61%	0.61	15%	0.152	S	C	*	.	S	Bend	trans	-159.6	66.7	173.1	-174.3	11	0	0	0	110.6	S425	S425-N441 VanDerWaalsContact CB-OD1 3.3Å; S425-N441 WeakPolarHBondContact CB-OD1 3.07Å
442	C	97.6	Very high	98.5	Very high	16 Å²	16	32.3 Å²	32.3	11%	0.108	15%	0.149	C	C	.	.	S	Bend	cis	-109.3	-56.1	-3.7	-77.8	0	0	0	0	112.3	C429 Y433 Y439 R440	C429-C442 HydrophobicContact CB-CB 3.62Å; C429-C442 WeakPolarHBondContact CB-SG 3.23Å; C429-C442 WeakPolarHBondContact SG-CA 3.23Å; C429-C442 WeakPolarHBondContact SG-CB 3.46Å; C429-C442 CovalentContact SG-SG 2.03Å; C429-C442 PolarHBondContact SG-SG 3.23Å; Y433-C442 HydrophobicContact CD2-CB 3.68Å; Y433-C442 HydrophobicContact CE2-CB 3.29Å; Y433-C442 VanDerWaalsContact CE2-SG 3.52Å; Y439-C442 WeakPolarHBondContact CA-O 3.45Å; Y439-C442 HydrophobicContact CD1-CB 4.43Å; R440-C442 PolarHBondContact N-O 2.98Å
443	H	98.6	Very high	98.5	Very high	19 Å²	19	34.4 Å²	34.4	9%	0.088	15%	0.153	C	C	.	.			trans	-151.7	165.9	-177.6	62.2	95.4	0	0	0	114.9	H410 Y433 Y439 S445 A460 W471	H410-H443 WeakPolarHBondContact CE1-CA 3.35Å; H410-H443 WeakPolarHBondContact CE1-CB 3.44Å; Y433-H443 AromaticContact CD1-NE2 3.3Å; Y433-H443 VanDerWaalsContact CD1-NE2 3.3Å; Y433-H443 WeakPolarHBondContact CD1-NE2 3.42Å; Y433-H443 AromaticContact CD2-CD2 3.77Å; Y433-H443 AromaticContact CD2-NE2 3.82Å; Y433-H443 AromaticContact CE1-NE2 3.73Å; Y433-H443 AromaticContact CG-CD2 3.73Å; Y433-H443 AromaticContact CG-NE2 3.32Å; Y433-H443 VanDerWaalsContact CG-NE2 3.32Å; Y439-H443 HydrophobicContact CD1-CB 3.89Å; Y439-H443 HydrophobicContact CE1-CB 4.02Å; Y439-H443 AromaticContact CE1-CD2 3.73Å; H443-S445 WeakPolarHBondContact CB-O 3.48Å; H443-A460 PolarHBondContact CE1-O 2.75Å; H443-A460 PolarHBondContact NE2-O 2.9Å; H443-W471 WeakPolarHBondContact O-CH2 3.23Å; H443-W471 WeakPolarHBondContact O-CZ3 3.35Å
444	T	98.7	Very high	98.5	Very high	15 Å²	15	33 Å²	33	9%	0.092	15%	0.149	C	C	.	.	S	Bend	trans	-111.8	-15.8	157.7	39.8	0	0	0	0	112.8	S406 K409 H410 S466 W471	S406-T444 WeakPolarHBondContact CB-O 3.37Å; S406-T444 CarbonylContact O-C 3.6Å; S406-T444 WeakPolarHBondContact O-CB 3.43Å; S406-T444 PolarHBondContact O-OG1 3.02Å; S406-T444 PolarHBondContact OG-O 3.2Å; K409-T444 HydrophobicContact CD-CG2 3.85Å; H410-T444 PolarHBondContact NE2-N 3.47Å; H410-T444 PolarHBondContact NE2-OG1 2.78Å; T444-S466 WeakPolarHBondContact O-CB 3.41Å; T444-S466 PolarHBondContact O-N 2.98Å; T444-S466 PolarHBondContact O-OG 3.14Å; T444-W471 HydrophobicContact CG2-CH2 3.89Å; T444-W471 HydrophobicContact CG2-CZ2 4.45Å
445	S	98.8	Very high	98.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	141.7	172.9	61.4	0	0	0	0	110.7	S406 H410 W437 H443 E464	S406-S445 WeakPolarHBondContact O-CB 3.29Å; S406-S445 PolarHBondContact O-N 3.45Å; S406-S445 PolarHBondContact O-OG 2.91Å; H410-S445 PolarHBondContact NE2-N 2.62Å; W437-S445 VanDerWaalsContact CD1-O 3.31Å; W437-S445 PolarHBondContact NE1-O 2.93Å; W437-S445 PolarHBondContact NE1-OG 3.48Å; H443-S445 WeakPolarHBondContact CB-O 3.48Å; S445-E464 CarbonylContact C-O 3.56Å; S445-E464 WeakPolarHBondContact CA-O 3.44Å
446	N	98.8	Very high	98.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	60.2	176.1	-173.8	18.3	0	0	0	111	Y433 Y439 N448 G449 G462 I463 E464	Y433-N446 PolarHBondContact O-ND2 3.4Å; Y439-N446 PolarHBondContact OH-OD1 3.09Å; N446-N448 PolarHBondContact O-N 3.02Å; N446-G449 PolarHBondContact O-N 3.26Å; N446-G449 PolarHBondContact OD1-N 3.5Å; N446-G462 PolarHBondContact ND2-O 3.19Å; N446-I463 WeakPolarHBondContact O-CA 3.35Å; N446-E464 HydrophobicContact CB-CB 4.37Å; N446-E464 PolarHBondContact N-O 2.91Å; N446-E464 PolarHBondContact O-N 2.97Å
447	L	98.9	Very high	98.3	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-14.4	-175.4	-59.2	-179.2	0	0	0	113.8	Q314 R316 I361 L363 W437 I463 W465 L475 M480	Q314-L447 PolarHBondContact NE2-O 3.24Å; Q314-L447 VanDerWaalsContact NE2-O 3.1Å; R316-L447 WeakPolarHBondContact CG-O 3.32Å; R316-L447 PolarHBondContact NH1-O 3.15Å; I361-L447 HydrophobicContact CD1-CD1 4.22Å; I361-L447 HydrophobicContact CG2-CD1 3.63Å; L363-L447 HydrophobicContact CD2-CD1 4.49Å; L363-L447 HydrophobicContact CD2-CD2 3.91Å; W437-L447 HydrophobicContact CH2-CB 4.19Å; W437-L447 HydrophobicContact CH2-CD1 4.19Å; W437-L447 HydrophobicContact CH2-CG 4.31Å; W437-L447 HydrophobicContact CZ3-CB 4.29Å; L447-I463 HydrophobicContact CD2-CG2 4.09Å; L447-W465 HydrophobicContact CD1-CE3 4.29Å; L447-W465 HydrophobicContact CD1-CZ3 4.28Å; L447-W465 HydrophobicContact CD2-CE3 4.15Å; L447-W465 HydrophobicContact CG-CE3 4.36Å; L447-L475 HydrophobicContact CD2-CD1 4.31Å; L447-M480 HydrophobicContact CD1-CG 4.04Å; L447-M480 HydrophobicContact CD1-SD 4.1Å
448	N	98.9	Very high	98.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	9.1	177.8	-73.6	-16.9	0	0	0	113.1	Q314 F323 Y330 G435 A436 W437 N446	Q314-N448 PolarHBondContact NE2-OD1 3.19Å; F323-N448 WeakPolarHBondContact CB-O 3.24Å; F323-N448 HydrophobicContact CD1-CB 4.33Å; Y330-N448 WeakPolarHBondContact OH-CB 3.32Å; G435-N448 WeakPolarHBondContact CA-O 3.49Å; A436-N448 WeakPolarHBondContact O-CB 3.38Å; A436-N448 PolarHBondContact O-ND2 3.04Å; W437-N448 HydrophobicContact CE3-CB 4.35Å; N446-N448 PolarHBondContact O-N 3.02Å
449	G	98.6	Very high	98	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.01	25%	0.246	C	C	.	.	S	Bend	trans	-73.8	-169.5	175.4	0	0	0	0	0	113.7	R316 N446 G462	R316-G449 PolarHBondContact NH1-O 2.85Å; R316-G449 PolarHBondContact NH2-O 3.07Å; R316-G449 VanDerWaalsContact NH2-O 3.14Å; N446-G449 PolarHBondContact O-N 3.26Å; N446-G449 PolarHBondContact OD1-N 3.5Å; G449-G462 WeakPolarHBondContact CA-O 3.37Å
450	Q	98.5	Very high	97.9	Very high	68 Å²	68	51.9 Å²	51.9	32%	0.318	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-70.4	143.4	-176.6	-61.3	-174.3	91.6	0	0	111.7	H434 L452 D461 G462 I463 S474	H434-Q450 HydrophobicContact CB-CG 3.53Å; H434-Q450 PolarHBondContact CD2-NE2 3.2Å; Q450-L452 HydrophobicContact CB-CD1 4.39Å; Q450-L452 HydrophobicContact CB-CD2 3.68Å; Q450-L452 HydrophobicContact CB-CG 3.8Å; Q450-L452 PolarHBondContact O-N 2.57Å; Q450-D461 WeakPolarHBondContact CB-O 3.44Å; Q450-D461 PolarHBondContact N-O 3.49Å; Q450-D461 PolarHBondContact NE2-OD2 3.28Å; Q450-G462 CarbonylContact O-C 3.58Å; Q450-G462 WeakPolarHBondContact O-CA 3.44Å; Q450-I463 PolarHBondContact O-N 3.16Å; Q450-I463 VanDerWaalsContact O-N 3.16Å; Q450-S474 PolarHBondContact O-OG 3.05Å
451	Y	98.6	Very high	97.9	Very high	37 Å²	37	46.3 Å²	46.3	15%	0.145	23%	0.227	C	C	.	.			trans	-82.6	80.7	176.3	-162.7	-86.9	0	0	0	109.9	E317 G319 F366 R453 I463 K476	E317-Y451 PolarHBondContact O-OH 3.37Å; G319-Y451 VanDerWaalsContact CA-CG 3.44Å; F366-Y451 HydrophobicContact CZ-CE1 4.03Å; Y451-R453 HydrophobicContact CD1-CG 3.63Å; Y451-R453 HydrophobicContact CE1-CG 3.59Å; Y451-I463 HydrophobicContact CD2-CD1 3.29Å; Y451-I463 HydrophobicContact CE2-CD1 3.93Å; Y451-I463 HydrophobicContact CG-CD1 4.13Å; Y451-K476 VanDerWaalsContact CE2-O 3.23Å; Y451-K476 WeakPolarHBondContact CE2-O 3.43Å; Y451-K476 WeakPolarHBondContact OH-CA 3.33Å; Y451-K476 PolarHBondContact OH-O 2.76Å
452	L	98.5	Very high	97.9	Very high	52 Å²	52	40.9 Å²	40.9	27%	0.272	20%	0.198	S	C	.	.			trans	-89.3	-1	-170.9	-57.2	177.7	0	0	0	114.6	Q450 H456 D461 S474	Q450-L452 HydrophobicContact CB-CD1 4.39Å; Q450-L452 HydrophobicContact CB-CD2 3.68Å; Q450-L452 HydrophobicContact CB-CG 3.8Å; Q450-L452 PolarHBondContact O-N 2.57Å; L452-H456 HydrophobicContact CB-CB 4.12Å; L452-H456 HydrophobicContact CD1-CB 4.12Å; L452-D461 WeakPolarHBondContact CD1-OD1 3.44Å; L452-S474 PolarHBondContact N-OG 3.46Å
453	R	97.9	Very high	98	Very high	169 Å²	169	40.1 Å²	40.1	64%	0.638	19%	0.193	S	C	*	.			trans	62.3	63.6	171.1	-59.1	-177.6	172.8	179.3	-2.5	115.2	F366 Y451	F366-R453 HydrophobicContact CE1-CB 4.27Å; F366-R453 HydrophobicContact CE1-CG 4.48Å; F366-R453 VanDerWaalsContact CE2-C 3.49Å; F366-R453 VanDerWaalsContact CE2-CA 3.4Å; F366-R453 HydrophobicContact CE2-CB 4.22Å; F366-R453 VanDerWaalsContact CZ-CA 3.49Å; F366-R453 HydrophobicContact CZ-CB 3.81Å; F366-R453 HydrophobicContact CZ-CG 3.97Å; Y451-R453 HydrophobicContact CD1-CG 3.63Å; Y451-R453 HydrophobicContact CE1-CG 3.59Å
454	G	97.6	Very high	98	Very high	3 Å²	3	39.2 Å²	39.2	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	89	-141.2	176.5	0	0	0	0	0	111.9	F366 H456 Y473 S474	F366-G454 VanDerWaalsContact CE2-N 3.32Å; G454-H456 PolarHBondContact O-CD2 2.98Å; G454-H456 PolarHBondContact O-N 3Å; G454-Y473 WeakPolarHBondContact O-CA 3.39Å; G454-S474 VanDerWaalsContact CA-O 3.29Å; G454-S474 WeakPolarHBondContact CA-O 3.49Å; G454-S474 PolarHBondContact N-O 3.01Å; G454-S474 PolarHBondContact O-N 3.32Å
455	Q	97.8	Very high	98	Very high	134 Å²	134	38.5 Å²	38.5	63%	0.626	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61.1	131.1	-177.9	-169.5	68.6	39.8	0	0	111.3	Q472 Y473	Q455-Q472 WeakPolarHBondContact CA-O 3.45Å; Q455-Q472 VanDerWaalsContact CD-O 3.27Å; Q455-Q472 PolarHBondContact NE2-O 3.46Å; Q455-Y473 HydrophobicContact CB-CD2 4.42Å
456	H	97.6	Very high	98	Very high	21 Å²	21	39.5 Å²	39.5	10%	0.097	19%	0.191	C	C	.	.			trans	-137.5	165.9	177.1	61.5	80.3	0	0	0	111.5	L452 G454 S458 D461 E464 Q472 Y473 S474	L452-H456 HydrophobicContact CB-CB 4.12Å; L452-H456 HydrophobicContact CD1-CB 4.12Å; G454-H456 PolarHBondContact O-CD2 2.98Å; G454-H456 PolarHBondContact O-N 3Å; H456-S458 PolarHBondContact CE1-O 3.35Å; H456-S458 VanDerWaalsContact CE1-O 3.29Å; H456-S458 PolarHBondContact ND1-O 3.45Å; H456-S458 PolarHBondContact ND1-OG 3.37Å; H456-D461 IonicContact CE1-OD1 3.45Å; H456-D461 IonicContact ND1-OD1 3.63Å; H456-E464 IonicContact CD2-OE1 3.78Å; H456-E464 IonicContact CE1-OE1 3.8Å; H456-E464 IonicContact NE2-OE1 3.55Å; H456-E464 PolarHBondContact NE2-OE1 2.89Å; H456-E464 IonicContact NE2-OE2 2.72Å; H456-Q472 PolarHBondContact N-O 2.85Å; H456-Y473 PolarHBondContact NE2-N 3.11Å; H456-S474 PolarHBondContact CD2-N 3.26Å
457	T	95.6	Very high	98	Very high	141 Å²	141	42 Å²	42	87%	0.865	21%	0.209	S	C	*	.	S	Bend	trans	-93.5	-24.9	-175.1	51.2	0	0	0	0	113.3
458	S	96.4	Very high	97.9	Very high	40 Å²	40	45 Å²	45	28%	0.28	22%	0.22	S	C	.	.	S	Bend	trans	-68.4	161.7	175.4	46.9	0	0	0	0	110.6	H456 D461	H456-S458 PolarHBondContact CE1-O 3.35Å; H456-S458 VanDerWaalsContact CE1-O 3.29Å; H456-S458 PolarHBondContact ND1-O 3.45Å; H456-S458 PolarHBondContact ND1-OG 3.37Å; S458-D461 WeakPolarHBondContact CB-OD1 3.36Å; S458-D461 VanDerWaalsContact OG-CG 3.32Å; S458-D461 PolarHBondContact OG-OD1 2.87Å; S458-D461 PolarHBondContact OG-OD2 2.96Å
459	Y	95.8	Very high	97.9	Very high	125 Å²	125	46.6 Å²	46.6	49%	0.49	23%	0.23	S	C	.	.	S	Bend	trans	-98.7	108.2	-174.9	-176.7	-105.6	0	0	0	110.5	Y433 D461 W471	Y433-Y459 WeakPolarHBondContact CD1-O 3.39Å; Y433-Y459 AromaticContact CE1-CD1 3.86Å; Y433-Y459 HydrophobicContact CE1-CD1 3.86Å; Y433-Y459 HydrophobicContact CE1-CE1 4.16Å; Y433-Y459 WeakPolarHBondContact CE1-O 3.43Å; Y459-D461 PolarHBondContact O-N 3.05Å; Y459-D461 VanDerWaalsContact O-N 3.08Å; Y459-W471 HydrophobicContact CE2-CB 4Å; Y459-W471 HydrophobicContact CE2-CG 4.42Å
460	A	96.4	Very high	97.9	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.008	24%	0.241	C	C	.	.	S	Bend	trans	56.7	21.7	167.2	0	0	0	0	0	117.3	Y433 H443 E464 W471	Y433-A460 HydrophobicContact CD1-CB 4.07Å; Y433-A460 WeakPolarHBondContact CD1-O 3.43Å; Y433-A460 HydrophobicContact CE1-CB 3.89Å; H443-A460 PolarHBondContact CE1-O 2.75Å; H443-A460 PolarHBondContact NE2-O 2.9Å; A460-E464 HydrophobicContact CB-CG 4.4Å; A460-W471 WeakPolarHBondContact CA-O 3.4Å; A460-W471 HydrophobicContact CB-CB 4.24Å; A460-W471 HydrophobicContact CB-CE3 3.85Å; A460-W471 PolarHBondContact N-O 2.87Å
461	D	98.3	Very high	97.8	Very high	16 Å²	16	48.8 Å²	48.8	9%	0.086	24%	0.242	C	C	.	.			trans	-97.1	7.4	-178.4	67.4	-34.3	0	0	0	113.9	H434 Q450 L452 H456 S458 Y459	H434-D461 IonicContact CD2-OD2 3.88Å; Q450-D461 WeakPolarHBondContact CB-O 3.44Å; Q450-D461 PolarHBondContact N-O 3.49Å; Q450-D461 PolarHBondContact NE2-OD2 3.28Å; L452-D461 WeakPolarHBondContact CD1-OD1 3.44Å; H456-D461 IonicContact CE1-OD1 3.45Å; H456-D461 IonicContact ND1-OD1 3.63Å; S458-D461 WeakPolarHBondContact CB-OD1 3.36Å; S458-D461 VanDerWaalsContact OG-CG 3.32Å; S458-D461 PolarHBondContact OG-OD1 2.87Å; S458-D461 PolarHBondContact OG-OD2 2.96Å; Y459-D461 PolarHBondContact O-N 3.05Å; Y459-D461 VanDerWaalsContact O-N 3.08Å
462	G	98.6	Very high	97.8	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-92.1	-163.5	174.4	0	0	0	0	0	113.8	N446 G449 Q450 E464	N446-G462 PolarHBondContact ND2-O 3.19Å; G449-G462 WeakPolarHBondContact CA-O 3.37Å; Q450-G462 CarbonylContact O-C 3.58Å; Q450-G462 WeakPolarHBondContact O-CA 3.44Å; G462-E464 WeakPolarHBondContact CA-OE1 3.3Å; G462-E464 PolarHBondContact N-OE1 2.91Å; G462-E464 PolarHBondContact O-N 3.34Å; G462-E464 VanDerWaalsContact O-N 3.12Å
463	I	98.8	Very high	97.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	-81.1	84.7	170.3	-57.7	175.2	0	0	0	108.5	R316 N446 L447 Q450 Y451 S474 L475	R316-I463 HydrophobicContact CB-CD1 3.81Å; R316-I463 HydrophobicContact CG-CD1 3.95Å; N446-I463 WeakPolarHBondContact O-CA 3.35Å; L447-I463 HydrophobicContact CD2-CG2 4.09Å; Q450-I463 PolarHBondContact O-N 3.16Å; Q450-I463 VanDerWaalsContact O-N 3.16Å; Y451-I463 HydrophobicContact CD2-CD1 3.29Å; Y451-I463 HydrophobicContact CE2-CD1 3.93Å; Y451-I463 HydrophobicContact CG-CD1 4.13Å; I463-S474 PolarHBondContact N-OG 3.45Å; I463-S474 VanDerWaalsContact N-OG 3.12Å; I463-L475 HydrophobicContact CB-CB 4.31Å; I463-L475 HydrophobicContact CG2-CB 3.92Å; I463-L475 HydrophobicContact CG2-CD1 4.45Å; I463-L475 VanDerWaalsContact O-CG 3.3Å; I463-L475 WeakPolarHBondContact O-CG 3.44Å; I463-L475 PolarHBondContact O-N 2.85Å
464	E	98.6	Very high	97.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	141.4	-169.2	-52.3	-57.1	137.3	0	0	113.5	S445 N446 H456 A460 G462 W471 Q472 Y473	S445-E464 CarbonylContact C-O 3.56Å; S445-E464 WeakPolarHBondContact CA-O 3.44Å; N446-E464 HydrophobicContact CB-CB 4.37Å; N446-E464 PolarHBondContact N-O 2.91Å; N446-E464 PolarHBondContact O-N 2.97Å; H456-E464 IonicContact CD2-OE1 3.78Å; H456-E464 IonicContact CE1-OE1 3.8Å; H456-E464 IonicContact NE2-OE1 3.55Å; H456-E464 PolarHBondContact NE2-OE1 2.89Å; H456-E464 IonicContact NE2-OE2 2.72Å; A460-E464 HydrophobicContact CB-CG 4.4Å; G462-E464 WeakPolarHBondContact CA-OE1 3.3Å; G462-E464 PolarHBondContact N-OE1 2.91Å; G462-E464 PolarHBondContact O-N 3.34Å; G462-E464 VanDerWaalsContact O-N 3.12Å; E464-W471 VanDerWaalsContact OE2-C 3.3Å; E464-Q472 PolarHBondContact OE2-N 3.45Å; E464-Y473 PolarHBondContact OE2-N 3.37Å; E464-Y473 VanDerWaalsContact OE2-N 3.09Å
465	W	98.8	Very high	97.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	91.9	163.4	-169.4	-91	0	0	0	109.4	I361 L363 A373 Y375 A403 G404 L407 L447 S467 W468 T469 L475	I361-W465 HydrophobicContact CD1-CH2 3.78Å; I361-W465 HydrophobicContact CD1-CZ3 3.7Å; L363-W465 HydrophobicContact CD1-CB 3.83Å; L363-W465 HydrophobicContact CD1-CD2 3.77Å; L363-W465 HydrophobicContact CD1-CE3 4.37Å; L363-W465 HydrophobicContact CD1-CG 3.5Å; A373-W465 HydrophobicContact CB-CH2 3.87Å; A373-W465 HydrophobicContact CB-CZ2 3.44Å; A373-W465 VanDerWaalsContact CB-CZ2 3.44Å; Y375-W465 HydrophobicContact CE2-CH2 4.23Å; Y375-W465 VanDerWaalsContact OH-CH2 3.26Å; Y375-W465 WeakPolarHBondContact OH-CH2 3.24Å; Y375-W465 WeakPolarHBondContact OH-CZ2 3.4Å; A403-W465 VanDerWaalsContact O-CD1 3.3Å; A403-W465 PolarHBondContact O-NE1 3.25Å; G404-W465 WeakPolarHBondContact O-CZ2 3.32Å; G404-W465 PolarHBondContact O-NE1 3.42Å; L407-W465 HydrophobicContact CB-CH2 4.03Å; L447-W465 HydrophobicContact CD1-CE3 4.29Å; L447-W465 HydrophobicContact CD1-CZ3 4.28Å; L447-W465 HydrophobicContact CD2-CE3 4.15Å; L447-W465 HydrophobicContact CG-CE3 4.36Å; W465-S467 VanDerWaalsContact C-N 3.29Å; W465-S467 VanDerWaalsContact CD1-OG 3.31Å; W465-S467 PolarHBondContact NE1-OG 3.08Å; W465-S467 PolarHBondContact O-N 3.38Å; W465-S467 VanDerWaalsContact O-N 3.14Å; W465-W468 PolarHBondContact O-N 3.08Å; W465-T469 PolarHBondContact O-N 2.89Å; W465-T469 VanDerWaalsContact O-N 3.16Å; W465-L475 HydrophobicContact CB-CD1 3.99Å
466	S	98.4	Very high	97.9	Very high	21 Å²	21	38 Å²	38	15%	0.147	20%	0.196	C	C	.	.	H	α-helix	trans	-59.1	-34.4	-162.6	64.2	0	0	0	0	115.1	S406 T444 W468 G470	S406-S466 PolarHBondContact OG-N 2.78Å; S406-S466 PolarHBondContact OG-OG 2.88Å; T444-S466 WeakPolarHBondContact O-CB 3.41Å; T444-S466 PolarHBondContact O-N 2.98Å; T444-S466 PolarHBondContact O-OG 3.14Å; S466-W468 PolarHBondContact O-N 2.66Å; S466-G470 WeakPolarHBondContact CA-O 3.36Å; S466-G470 WeakPolarHBondContact O-CA 3.38Å; S466-G470 PolarHBondContact O-N 3.43Å
467	S	98.5	Very high	98	Very high	53 Å²	53	39.2 Å²	39.2	37%	0.371	20%	0.201	S	C	.	.	H	α-helix	trans	-71.9	-13.8	-179.6	60.1	0	0	0	0	114.2	A403 G404 S406 W465	A403-S467 CarbonylContact O-C 3.5Å; A403-S467 PolarHBondContact O-OG 3.23Å; G404-S467 WeakPolarHBondContact CA-OG 3.5Å; G404-S467 PolarHBondContact O-OG 2.81Å; S406-S467 VanDerWaalsContact OG-CB 3.31Å; S406-S467 WeakPolarHBondContact OG-CB 3.32Å; S406-S467 PolarHBondContact OG-N 3.34Å; S406-S467 PolarHBondContact OG-OG 2.9Å; W465-S467 VanDerWaalsContact C-N 3.29Å; W465-S467 VanDerWaalsContact CD1-OG 3.31Å; W465-S467 PolarHBondContact NE1-OG 3.08Å; W465-S467 PolarHBondContact O-N 3.38Å; W465-S467 VanDerWaalsContact O-N 3.14Å
468	W	98.7	Very high	98.1	Very high	64 Å²	64	32.5 Å²	32.5	24%	0.242	16%	0.16	C	C	.	.	H	α-helix	trans	-109.2	-58.5	179.7	-172.9	38.5	0	0	0	112.3	L363 D365 S369 A371 A403 W465 S466 L475	L363-W468 HydrophobicContact CB-CE3 3.9Å; L363-W468 HydrophobicContact CB-CH2 4.38Å; L363-W468 HydrophobicContact CB-CZ3 3.5Å; L363-W468 VanDerWaalsContact CB-CZ3 3.5Å; L363-W468 HydrophobicContact CD1-CE3 4Å; L363-W468 HydrophobicContact CD1-CZ3 4.46Å; D365-W468 HydrophobicContact CB-CH2 4.11Å; S369-W468 WeakPolarHBondContact O-CH2 3.26Å; A371-W468 HydrophobicContact CB-CD2 3.7Å; A371-W468 VanDerWaalsContact CB-CE2 3.47Å; A371-W468 HydrophobicContact CB-CE3 4.11Å; A371-W468 HydrophobicContact CB-CG 4.21Å; A371-W468 HydrophobicContact CB-CH2 4.11Å; A371-W468 HydrophobicContact CB-CZ2 3.7Å; A371-W468 HydrophobicContact CB-CZ3 4.3Å; A403-W468 HydrophobicContact CB-CB 4.43Å; A403-W468 WeakPolarHBondContact O-CB 3.29Å; W465-W468 PolarHBondContact O-N 3.08Å; S466-W468 PolarHBondContact O-N 2.66Å; W468-L475 HydrophobicContact CE3-CD2 3.78Å; W468-L475 HydrophobicContact CZ3-CD2 3.51Å
469	T	98.1	Very high	98.3	Very high	33 Å²	33	31.2 Å²	31.2	20%	0.202	15%	0.15	C	C	.	.	H	α-helix	trans	-110.8	3.7	-172.9	55.4	0	0	0	0	113.8	W465 Y473 L475	W465-T469 PolarHBondContact O-N 2.89Å; W465-T469 VanDerWaalsContact O-N 3.16Å; T469-Y473 HydrophobicContact CG2-CD1 4.03Å; T469-Y473 HydrophobicContact CG2-CE1 4.44Å; T469-Y473 WeakPolarHBondContact O-CB 3.39Å; T469-L475 HydrophobicContact CG2-CD2 3.72Å
470	G	97.7	Very high	98.4	Very high	24 Å²	24	25.2 Å²	25.2	25%	0.247	13%	0.126	C	C	.	.			trans	79.3	-155	-179.3	0	0	0	0	0	113.4	S466	S466-G470 WeakPolarHBondContact CA-O 3.36Å; S466-G470 WeakPolarHBondContact O-CA 3.38Å; S466-G470 PolarHBondContact O-N 3.43Å
471	W	97.7	Very high	98.5	Very high	90 Å²	90	25.3 Å²	25.3	34%	0.341	13%	0.127	S	C	.	.	S	Bend	trans	-108.5	-0.1	-168	-58.6	99.8	0	0	0	114.5	H443 T444 Y459 A460 E464	H443-W471 WeakPolarHBondContact O-CH2 3.23Å; H443-W471 WeakPolarHBondContact O-CZ3 3.35Å; T444-W471 HydrophobicContact CG2-CH2 3.89Å; T444-W471 HydrophobicContact CG2-CZ2 4.45Å; Y459-W471 HydrophobicContact CE2-CB 4Å; Y459-W471 HydrophobicContact CE2-CG 4.42Å; A460-W471 WeakPolarHBondContact CA-O 3.4Å; A460-W471 HydrophobicContact CB-CB 4.24Å; A460-W471 HydrophobicContact CB-CE3 3.85Å; A460-W471 PolarHBondContact N-O 2.87Å; E464-W471 VanDerWaalsContact OE2-C 3.3Å
472	Q	97.8	Very high	98.6	Very high	83 Å²	83	24.6 Å²	24.6	39%	0.388	12%	0.123	S	C	.	.	S	Bend	trans	-135	30.8	-172.6	-64.2	179.9	-74	0	0	110.2	Q455 H456 E464	Q455-Q472 WeakPolarHBondContact CA-O 3.45Å; Q455-Q472 VanDerWaalsContact CD-O 3.27Å; Q455-Q472 PolarHBondContact NE2-O 3.46Å; H456-Q472 PolarHBondContact N-O 2.85Å; E464-Q472 PolarHBondContact OE2-N 3.45Å
473	Y	98.5	Very high	98.5	Very high	30 Å²	30	25.1 Å²	25.1	12%	0.118	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	104.7	-178.3	-167.6	-74.8	0	0	0	110.1	D365 F366 G454 Q455 H456 E464 T469 L475	D365-Y473 HydrophobicContact CB-CE1 3.76Å; F366-Y473 PolarHBondContact N-OH 2.9Å; G454-Y473 WeakPolarHBondContact O-CA 3.39Å; Q455-Y473 HydrophobicContact CB-CD2 4.42Å; H456-Y473 PolarHBondContact NE2-N 3.11Å; E464-Y473 PolarHBondContact OE2-N 3.37Å; E464-Y473 VanDerWaalsContact OE2-N 3.09Å; T469-Y473 HydrophobicContact CG2-CD1 4.03Å; T469-Y473 HydrophobicContact CG2-CE1 4.44Å; T469-Y473 WeakPolarHBondContact O-CB 3.39Å; Y473-L475 HydrophobicContact CD1-CD2 4.31Å; Y473-L475 HydrophobicContact CE1-CD2 4.42Å; Y473-L475 PolarHBondContact O-N 2.92Å
474	S	98.8	Very high	98.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	117.8	176.3	178.4	0	0	0	0	110.2	Q450 L452 G454 H456 I463	Q450-S474 PolarHBondContact O-OG 3.05Å; L452-S474 PolarHBondContact N-OG 3.46Å; G454-S474 VanDerWaalsContact CA-O 3.29Å; G454-S474 WeakPolarHBondContact CA-O 3.49Å; G454-S474 PolarHBondContact N-O 3.01Å; G454-S474 PolarHBondContact O-N 3.32Å; H456-S474 PolarHBondContact CD2-N 3.26Å; I463-S474 PolarHBondContact N-OG 3.45Å; I463-S474 VanDerWaalsContact N-OG 3.12Å
475	L	98.8	Very high	98.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.			trans	-59.5	153.7	179.9	-63.6	174.1	0	0	0	113.2	L363 L447 I463 W465 W468 T469 Y473	L363-L475 HydrophobicContact CB-CD1 4.14Å; L363-L475 HydrophobicContact CD1-CD1 4.21Å; L363-L475 HydrophobicContact CD2-CD1 3.74Å; L363-L475 HydrophobicContact CG-CD1 4.25Å; L447-L475 HydrophobicContact CD2-CD1 4.31Å; I463-L475 HydrophobicContact CB-CB 4.31Å; I463-L475 HydrophobicContact CG2-CB 3.92Å; I463-L475 HydrophobicContact CG2-CD1 4.45Å; I463-L475 VanDerWaalsContact O-CG 3.3Å; I463-L475 WeakPolarHBondContact O-CG 3.44Å; I463-L475 PolarHBondContact O-N 2.85Å; W465-L475 HydrophobicContact CB-CD1 3.99Å; W468-L475 HydrophobicContact CE3-CD2 3.78Å; W468-L475 HydrophobicContact CZ3-CD2 3.51Å; T469-L475 HydrophobicContact CG2-CD2 3.72Å; Y473-L475 HydrophobicContact CD1-CD2 4.31Å; Y473-L475 HydrophobicContact CE1-CD2 4.42Å; Y473-L475 PolarHBondContact O-N 2.92Å
476	K	98.8	Very high	96.9	Very high	56 Å²	56	37.5 Å²	37.5	24%	0.243	18%	0.182	C	C	.	.	S	Bend	trans	-80.5	-42.9	176.9	179.2	-173.9	169.1	-161.4	0	111.2	E317 E364 D365 F366 N368 Y451	E317-K476 CarbonylContact C-O 3.52Å; E364-K476 WeakPolarHBondContact O-CB 3.45Å; E364-K476 PolarHBondContact O-N 3Å; E364-K476 IonicContact OE1-NZ 3.49Å; E364-K476 PolarHBondContact OE1-NZ 3.01Å; D365-K476 WeakPolarHBondContact O-CD 3.34Å; F366-K476 HydrophobicContact CD1-CB 4.2Å; F366-K476 HydrophobicContact CD1-CD 4.21Å; F366-K476 HydrophobicContact CD1-CG 4.15Å; F366-K476 HydrophobicContact CD2-CB 3.66Å; F366-K476 HydrophobicContact CD2-CG 4.47Å; F366-K476 HydrophobicContact CE1-CB 4.07Å; F366-K476 HydrophobicContact CE1-CD 4.37Å; F366-K476 HydrophobicContact CE1-CG 3.86Å; F366-K476 HydrophobicContact CE2-CB 3.47Å; F366-K476 VanDerWaalsContact CE2-CB 3.47Å; F366-K476 HydrophobicContact CE2-CG 4.18Å; F366-K476 HydrophobicContact CG-CB 4.01Å; F366-K476 HydrophobicContact CG-CG 4.44Å; F366-K476 HydrophobicContact CZ-CB 3.69Å; F366-K476 HydrophobicContact CZ-CG 3.87Å; N368-K476 PolarHBondContact OD1-NZ 2.9Å; N368-K476 VanDerWaalsContact OD1-NZ 3.12Å; Y451-K476 VanDerWaalsContact CE2-O 3.23Å; Y451-K476 WeakPolarHBondContact CE2-O 3.43Å; Y451-K476 WeakPolarHBondContact OH-CA 3.33Å; Y451-K476 PolarHBondContact OH-O 2.76Å
477	F	98.9	Very high	95	Very high	46 Å²	46	41.9 Å²	41.9	20%	0.202	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	141.4	-179.2	178	-94.6	0	0	0	110.1	R315 R316 E317 D362 L363 E364 E479	R315-F477 HydrophobicContact CG-CE2 4.21Å; R316-F477 VanDerWaalsContact O-CA 3.32Å; R316-F477 WeakPolarHBondContact O-CA 3.29Å; R316-F477 VanDerWaalsContact O-CD2 3.31Å; R316-F477 WeakPolarHBondContact O-CD2 3.42Å; E317-F477 HydrophobicContact CB-CD2 4Å; D362-F477 HydrophobicContact CB-CE1 4.32Å; L363-F477 WeakPolarHBondContact CA-O 3.28Å; E364-F477 HydrophobicContact CB-CB 3.61Å; E364-F477 HydrophobicContact CB-CD1 4.47Å; E364-F477 HydrophobicContact CB-CG 4.47Å; E364-F477 PolarHBondContact N-O 3.06Å; E364-F477 PolarHBondContact O-N 3.45Å; E364-F477 VanDerWaalsContact O-N 3.14Å; F477-E479 HydrophobicContact CE1-CB 3.66Å; F477-E479 HydrophobicContact CE2-CB 4.48Å; F477-E479 HydrophobicContact CZ-CB 3.53Å; F477-E479 HydrophobicContact CZ-CG 4.47Å
478	S	98.9	Very high	92.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	136.6	162.9	72.5	0	0	0	0	109.7	Q314 R315 R316 D362	Q314-S478 PolarHBondContact OE1-O 3.23Å; Q314-S478 PolarHBondContact OE1-OG 3.46Å; R315-S478 CarbonylContact C-O 3.5Å; R315-S478 WeakPolarHBondContact CA-O 3.46Å; R316-S478 WeakPolarHBondContact CB-OG 3.48Å; R316-S478 WeakPolarHBondContact CG-OG 3.03Å; R316-S478 PolarHBondContact N-O 2.85Å; R316-S478 PolarHBondContact O-N 3.5Å; D362-S478 CarbonylContact O-C 3.32Å; D362-S478 VanDerWaalsContact O-CA 3.29Å; D362-S478 WeakPolarHBondContact O-CA 3.48Å
479	E	98.9	Very high	90.2	Very high	13 Å²	13	48.6 Å²	48.6	6%	0.061	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	120.4	172	-174.5	176.5	90.7	0	0	110.3	V312 Q314 R315 I361 D362 F477 K481	V312-E479 HydrophobicContact CG1-CG 3.72Å; V312-E479 HydrophobicContact CG2-CG 4.2Å; Q314-E479 WeakPolarHBondContact O-CA 3.4Å; R315-E479 IonicContact CZ-OE2 2.69Å; R315-E479 IonicContact NE-OE2 3.45Å; R315-E479 PolarHBondContact NE-OE2 2.87Å; R315-E479 IonicContact NH2-OE2 2.66Å; R315-E479 PolarHBondContact NH2-OE2 3.46Å; I361-E479 VanDerWaalsContact CA-O 3.3Å; I361-E479 WeakPolarHBondContact CA-O 3.41Å; D362-E479 PolarHBondContact N-O 3.01Å; D362-E479 PolarHBondContact O-N 3.35Å; F477-E479 HydrophobicContact CE1-CB 3.66Å; F477-E479 HydrophobicContact CE2-CB 4.48Å; F477-E479 HydrophobicContact CZ-CB 3.53Å; F477-E479 HydrophobicContact CZ-CG 4.47Å; E479-K481 VanDerWaalsContact OE1-CE 3.22Å; E479-K481 WeakPolarHBondContact OE1-CE 3.3Å; E479-K481 IonicContact OE1-NZ 2.82Å; E479-K481 PolarHBondContact OE1-NZ 2.85Å
480	M	98.9	Very high	87.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	130.7	172.1	-55.3	176.9	68.7	0	0	109.2	I313 Q314 L359 I361 W437 W438 L447	I313-M480 HydrophobicContact CD1-CB 4.2Å; I313-M480 HydrophobicContact CD1-CE 4.5Å; I313-M480 HydrophobicContact CG1-CB 3.76Å; I313-M480 VanDerWaalsContact CG1-O 3.29Å; I313-M480 WeakPolarHBondContact CG1-O 3.16Å; I313-M480 PolarHBondContact N-O 3.02Å; Q314-M480 HydrophobicContact CB-CB 3.95Å; Q314-M480 HydrophobicContact CB-CG 4.05Å; Q314-M480 HydrophobicContact CB-SD 3.98Å; Q314-M480 HydrophobicContact CG-SD 4.36Å; Q314-M480 PolarHBondContact N-O 3.44Å; Q314-M480 PolarHBondContact O-N 3.43Å; L359-M480 HydrophobicContact CD1-CB 4.23Å; L359-M480 HydrophobicContact CD1-CE 4.19Å; L359-M480 HydrophobicContact CD2-CE 4.2Å; I361-M480 HydrophobicContact CD1-CE 4.24Å; I361-M480 HydrophobicContact CD1-CG 4.48Å; I361-M480 HydrophobicContact CG1-CG 4.17Å; I361-M480 HydrophobicContact CG2-CG 4.31Å; W437-M480 HydrophobicContact CH2-CE 3.75Å; W437-M480 HydrophobicContact CH2-SD 3.62Å; W437-M480 HydrophobicContact CZ3-CE 4.45Å; W437-M480 HydrophobicContact CZ3-SD 3.97Å; W438-M480 HydrophobicContact CZ3-CE 4.49Å; L447-M480 HydrophobicContact CD1-CG 4.04Å; L447-M480 HydrophobicContact CD1-SD 4.1Å
481	K	98.9	Very high	84.5	Confident	3 Å²	3	66 Å²	66	1%	0.013	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	148.1	-178.7	61.5	-168.9	132.5	-170.5	0	112.1	D302 W310 T311 V312 R360 D362 E479	D302-K481 HydrophobicContact CB-CD 4.31Å; D302-K481 IonicContact OD2-NZ 3.99Å; D302-K481 PolarHBondContact OD2-NZ 2.9Å; W310-K481 HydrophobicContact CB-CB 4.04Å; W310-K481 HydrophobicContact CB-CD 3.64Å; W310-K481 HydrophobicContact CB-CG 3.9Å; W310-K481 HydrophobicContact CD2-CD 4.18Å; W310-K481 HydrophobicContact CD2-CG 3.98Å; W310-K481 HydrophobicContact CE3-CB 4.35Å; W310-K481 HydrophobicContact CE3-CD 4.48Å; W310-K481 HydrophobicContact CE3-CG 3.77Å; W310-K481 HydrophobicContact CG-CD 3.83Å; W310-K481 HydrophobicContact CG-CG 4.06Å; T311-K481 CarbonylContact O-C 3.51Å; T311-K481 VanDerWaalsContact O-CA 3.23Å; T311-K481 WeakPolarHBondContact O-CA 3.32Å; T311-K481 WeakPolarHBondContact O-CB 3.34Å; V312-K481 HydrophobicContact CG2-CB 4.18Å; R360-K481 HydrophobicContact CB-CG 4.14Å; R360-K481 PolarHBondContact N-O 3.45Å; R360-K481 PolarHBondContact O-N 3.01Å; D362-K481 WeakPolarHBondContact OD2-CE 3.49Å; D362-K481 IonicContact OD2-NZ 2.95Å; D362-K481 PolarHBondContact OD2-NZ 3.49Å; E479-K481 VanDerWaalsContact OE1-CE 3.22Å; E479-K481 WeakPolarHBondContact OE1-CE 3.3Å; E479-K481 IonicContact OE1-NZ 2.82Å; E479-K481 PolarHBondContact OE1-NZ 2.85Å
482	I	98.8	Very high	83.9	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	150.8	-174.9	63.6	175.7	0	0	0	111.6	T311 I313 L351 Y357 E358 L359 F378	T311-I482 PolarHBondContact N-O 3.47Å; T311-I482 PolarHBondContact O-N 3.08Å; I313-I482 HydrophobicContact CD1-CG2 3.98Å; I313-I482 HydrophobicContact CG2-CD1 4.04Å; I313-I482 HydrophobicContact CG2-CG1 3.99Å; L351-I482 HydrophobicContact CB-CD1 3.89Å; L351-I482 HydrophobicContact CD1-CD1 4.29Å; Y357-I482 HydrophobicContact CD1-CB 4.11Å; Y357-I482 HydrophobicContact CD1-CD1 4.04Å; Y357-I482 HydrophobicContact CD1-CG1 4.08Å; Y357-I482 HydrophobicContact CE1-CD1 4.48Å; E358-I482 WeakPolarHBondContact O-CA 3.36Å; L359-I482 HydrophobicContact CB-CG2 4.42Å; L359-I482 HydrophobicContact CD1-CG2 3.9Å; F378-I482 HydrophobicContact CD1-CG2 3.49Å; F378-I482 VanDerWaalsContact CD1-CG2 3.49Å; F378-I482 HydrophobicContact CE1-CG2 3.57Å; F378-I482 HydrophobicContact CG-CG2 4.39Å
483	R	97.8	Very high	83.2	Confident	11 Å²	11	63.8 Å²	63.8	4%	0.042	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	147.2	177.1	-177.7	172.4	67.1	-171.8	-5	109.4	D306 G308 G309 W310 Y357 E358 T485	D306-R483 PolarHBondContact O-NH1 3.12Å; D306-R483 IonicContact OD2-CZ 3.94Å; D306-R483 IonicContact OD2-NH2 3.93Å; D306-R483 PolarHBondContact OD2-NH2 2.95Å; G308-R483 WeakPolarHBondContact O-CD 3.16Å; G308-R483 PolarHBondContact O-NH1 3.32Å; G309-R483 WeakPolarHBondContact O-CG 3.41Å; W310-R483 HydrophobicContact CD2-CB 3.89Å; W310-R483 HydrophobicContact CE3-CB 3.51Å; W310-R483 HydrophobicContact CH2-CB 4.26Å; W310-R483 VanDerWaalsContact CZ2-CZ 3.41Å; W310-R483 VanDerWaalsContact CZ2-NH2 3.27Å; W310-R483 HydrophobicContact CZ3-CB 3.72Å; Y357-R483 CarbonylContact C-O 3.52Å; Y357-R483 VanDerWaalsContact CA-O 3.29Å; Y357-R483 WeakPolarHBondContact CA-O 3.31Å; Y357-R483 WeakPolarHBondContact CD1-O 3.26Å; E358-R483 HydrophobicContact CG-CB 4.22Å; E358-R483 VanDerWaalsContact CG-O 3.25Å; E358-R483 WeakPolarHBondContact CG-O 3.24Å; E358-R483 PolarHBondContact N-O 3.43Å; E358-R483 PolarHBondContact O-N 3.32Å; E358-R483 VanDerWaalsContact O-N 3.1Å; E358-R483 IonicContact OE1-CZ 2.75Å; E358-R483 IonicContact OE1-NE 2.74Å; E358-R483 PolarHBondContact OE1-NE 3.23Å; E358-R483 IonicContact OE1-NH2 3.2Å; E358-R483 PolarHBondContact OE1-NH2 3.23Å; R483-T485 PolarHBondContact O-N 2.76Å
484	P	96.8	Very high	82.3	Confident	39 Å²	39	65.7 Å²	65.7	25%	0.253	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	134.5	172.7	-24.7	34.4	0	0	0	111.2	D271 N356 Y357 R486	D271-P484 WeakPolarHBondContact OD2-CG 3.5Å; N356-P484 CarbonylContact O-C 3.57Å; N356-P484 WeakPolarHBondContact O-CA 3.41Å; Y357-P484 HydrophobicContact CD1-CG 4.32Å; Y357-P484 HydrophobicContact CE1-CB 4.45Å; Y357-P484 HydrophobicContact CE1-CG 3.65Å; P484-R486 PolarHBondContact O-N 2.75Å
485	T	91.9	Very high	81.3	Confident	49 Å²	49	69.5 Å²	69.5	30%	0.301	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-62.7	133.5	174	55.1	0	0	0	0	109.4	N356 E358 G376 R483 D487	N356-T485 HydrophobicContact CB-CG2 4.3Å; N356-T485 VanDerWaalsContact CB-OG1 3.24Å; N356-T485 WeakPolarHBondContact CB-OG1 3.39Å; N356-T485 PolarHBondContact O-N 3.03Å; N356-T485 PolarHBondContact O-OG1 3.46Å; E358-T485 HydrophobicContact CB-CG2 4.15Å; E358-T485 HydrophobicContact CG-CG2 4.47Å; G376-T485 VanDerWaalsContact O-CG2 3.32Å; G376-T485 WeakPolarHBondContact O-CG2 3.05Å; R483-T485 PolarHBondContact O-N 2.76Å; T485-D487 PolarHBondContact O-N 3.16Å
486	R	74.1	Confident	80.2	Confident	172 Å²	172	73.9 Å²	73.9	65%	0.649	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-72.1	121.4	174.9	-65.9	-179	-179.5	151.2	3	109	P484 P488	P484-R486 PolarHBondContact O-N 2.75Å; R486-P488 WeakPolarHBondContact O-CD 3.4Å
487	D	57.8	Low	79	Confident	114 Å²	114	75.1 Å²	75.1	61%	0.61	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-65.7	120.6	173.4	-151.3	-18	0	0	0	108.9	T485 D489 N490	T485-D487 PolarHBondContact O-N 3.16Å; D487-D489 PolarHBondContact O-N 3.48Å; D487-D489 VanDerWaalsContact O-N 3.11Å; D487-N490 PolarHBondContact O-N 2.92Å
488	P	50.2	Low	77.6	Confident	106 Å²	106	77.1 Å²	77.1	69%	0.688	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.4	-178.6	-23	33	0	0	0	113.6	R486 N490	R486-P488 WeakPolarHBondContact O-CD 3.4Å; P488-N490 VanDerWaalsContact C-N 3.28Å; P488-N490 PolarHBondContact O-N 3.27Å
489	D	46.8	Very low	75.9	Confident	152 Å²	152	83.1 Å²	83.1	81%	0.813	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	2.3	-174.3	-72.3	-21	0	0	0	114.3	D487	D487-D489 PolarHBondContact O-N 3.48Å; D487-D489 VanDerWaalsContact O-N 3.11Å
490	N	42.2	Very low	74	Confident	153 Å²	153	88.9 Å²	88.9	82%	0.818	45%	0.446	S	S	*	.			trans	-117.6	47.9	-179.1	-138.6	4.8	0	0	0	112.1	D487 P488	D487-N490 PolarHBondContact O-N 2.92Å; P488-N490 VanDerWaalsContact C-N 3.28Å; P488-N490 PolarHBondContact O-N 3.27Å
491	K	34.3	Very low	71.8	Confident	268 Å²	268	97 Å²	97	100%	1.165	49%	0.487	S	S	*	.			trans	-106.4	0	173.1	-98.8	-173.7	179.7	176.7	0	112.8

Retrieved 491 of 491 residues in 113 ms (Link to these results)

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