A0A087WXG7_HUMAN Loading...

Cytoplasmic polyadenylation element-binding protein 1

AlphaFold DB , UniProt , Accession A0A087WXG7, Species HUMAN (Homo sapiens, Human), Gene CPEB1, Length 588 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	29.6	Very low	30.9	Very low	237 Å²	237	129.2 Å²	129.2	100%	1.167	79%	0.792	S	S	*	*				0	160	0	-72.3	171	172.6	0	0	108.3
2	F	30.3	Very low	31	Very low	195 Å²	195	126.8 Å²	126.8	86%	0.855	78%	0.784	S	S	*	*			trans	-1.9	120.6	170.2	-67.2	-85.7	0	0	0	118
3	S	30.2	Very low	31	Very low	109 Å²	109	131.1 Å²	131.1	76%	0.762	79%	0.793	S	S	*	*				76.4	136	77.7	-167.5	0	0	0	0	112.3
4	G	31.9	Very low	31.1	Very low	59 Å²	59	130.9 Å²	130.9	61%	0.608	80%	0.801	S	S	*	*			cis	158.2	-177.7	2.6	0	0	0	0	0	109.8
5	I	33.5	Very low	31.1	Very low	162 Å²	162	126 Å²	126	83%	0.831	79%	0.787	S	S	*	*			trans	67.4	118.3	168.3	-51.4	167.7	0	0	0	114
6	A	31.7	Very low	31.3	Very low	86 Å²	86	128.1 Å²	128.1	71%	0.711	80%	0.798	S	S	*	*			cis	88.2	96.8	32.7	0	0	0	0	0	116.2
7	T	30.9	Very low	31.3	Very low	136 Å²	136	124.7 Å²	124.7	83%	0.834	79%	0.794	S	S	*	*			trans	-169.3	134.5	153.5	33.1	0	0	0	0	106.1
8	S	29.9	Very low	31.3	Very low	95 Å²	95	126.7 Å²	126.7	66%	0.664	80%	0.797	S	S	*	*			cis	96.5	134	27.6	76.5	0	0	0	0	114.1
9	T	31.4	Very low	31.2	Very low	136 Å²	136	128.9 Å²	128.9	83%	0.834	80%	0.797	S	S	*	*			trans	103.5	149.2	-179.5	65	0	0	0	0	116.1
10	S	30.1	Very low	31.3	Very low	93 Å²	93	131.1 Å²	131.1	65%	0.65	80%	0.797	S	S	*	*				-179.8	139	-53.1	44.2	0	0	0	0	111.7
11	S	30.4	Very low	31.2	Very low	113 Å²	113	130.5 Å²	130.5	79%	0.79	80%	0.798	S	S	*	*			trans	64.8	160.6	162.5	15.8	0	0	0	0	117.1
12	S	32.1	Very low	31.2	Very low	100 Å²	100	123.8 Å²	123.8	70%	0.699	78%	0.775	S	S	*	*			cis	-163.2	142.2	-7.5	40.2	0	0	0	0	113.1
13	M	30.9	Very low	31.2	Very low	183 Å²	183	121.8 Å²	121.8	90%	0.901	77%	0.772	S	S	*	*			trans	49.1	118.5	141	-61	-175.5	72.4	0	0	122.6
14	S	32	Very low	31.1	Very low	129 Å²	129	121 Å²	121	90%	0.902	77%	0.767	S	S	*	*				-166.3	144.5	119.7	54.8	0	0	0	0	109.2
15	G	31.1	Very low	30.9	Very low	57 Å²	57	125.7 Å²	125.7	59%	0.588	78%	0.778	S	S	*	*			cis	-179.9	165.8	-11.2	0	0	0	0	0	110.3
16	T	35.6	Very low	30.6	Very low	159 Å²	159	124.2 Å²	124.2	98%	0.975	78%	0.781	S	S	*	*			trans	58	137.2	169.8	59.6	0	0	0	0	118.8
17	G	30.6	Very low	30.4	Very low	71 Å²	71	127.6 Å²	127.6	73%	0.732	79%	0.786	S	S	*	*			cis	170.6	155.6	-7.3	0	0	0	0	0	112.5
18	L	31.2	Very low	30.3	Very low	160 Å²	160	128 Å²	128	84%	0.838	78%	0.782	S	S	*	*			trans	19.4	143.2	146.9	-59.4	169.8	0	0	0	121.2
19	E	29.5	Very low	30.1	Very low	170 Å²	170	131.4 Å²	131.4	79%	0.794	79%	0.792	S	S	*	*			cis	-168.1	-172.9	-19.3	-137.5	-178.5	176	0	0	111.8
20	H	33	Very low	30	Very low	171 Å²	171	131.4 Å²	131.4	79%	0.792	79%	0.786	S	S	*	*			trans	-53.6	151.3	-173.1	-88.6	-109.1	0	0	0	119.7
21	S	29.7	Very low	30.1	Very low	119 Å²	119	132.9 Å²	132.9	83%	0.832	79%	0.793	S	S	*	*			trans	154.7	161	140.1	49.8	0	0	0	0	110.9
22	S	29.3	Very low	29.9	Very low	97 Å²	97	134.1 Å²	134.1	68%	0.678	79%	0.79	S	S	*	*			cis	-171.4	137	-15.4	161	0	0	0	0	111.5
23	L	29.8	Very low	29.8	Very low	153 Å²	153	136.8 Å²	136.8	80%	0.801	79%	0.791	S	S	*	*			trans	48.4	127.3	145.1	-64.6	167.4	0	0	0	124.9
24	S	28.2	Very low	29.5	Very low	93 Å²	93	136.8 Å²	136.8	65%	0.65	79%	0.789	S	S	*	*			trans	55.6	135.1	132.2	66.5	0	0	0	0	125
25	D	29.1	Very low	29.4	Very low	156 Å²	156	139.1 Å²	139.1	83%	0.834	79%	0.786	S	S	*	*			trans	56.6	117.8	142.9	-57.7	-19.3	0	0	0	122.4
26	C	26.8	Very low	29.2	Very low	132 Å²	132	140.5 Å²	140.5	89%	0.892	79%	0.791	S	S	*	*				-163.4	113.9	128.7	-119.9	0	0	0	0	115.3
27	L	27.3	Very low	28.7	Very low	157 Å²	157	136.4 Å²	136.4	82%	0.822	78%	0.781	S	S	*	*			trans	-6.9	159.3	149.3	-87.1	160.5	0	0	0	124
28	L	27.9	Very low	28.4	Very low	144 Å²	144	144.5 Å²	144.5	75%	0.754	79%	0.79	S	S	*	*			trans	82.1	115.2	151.1	-73.2	158.9	0	0	0	120.9
29	L	25.8	Very low	28.2	Very low	167 Å²	167	143.5 Å²	143.5	87%	0.874	78%	0.784	S	S	*	*				-163.3	137.6	102.7	-104.2	164.5	0	0	0	112.3
30	I	29.8	Very low	28	Very low	136 Å²	136	144.6 Å²	144.6	70%	0.697	79%	0.786	S	S	*	*			trans	-140.7	141.6	173.3	-64.8	173.6	0	0	0	107.4
31	P	31.9	Very low	27.8	Very low	123 Å²	123	143.8 Å²	143.8	80%	0.799	79%	0.787	S	S	*	*			trans	-105.6	144.3	154.6	-0.2	21.4	0	0	0	112.4
32	L	27.1	Very low	27.7	Very low	139 Å²	139	144 Å²	144	73%	0.728	79%	0.788	S	S	*	*			trans	-91.9	-177.8	172.1	-73.3	160.9	0	0	0	109.9
33	E	28.5	Very low	27.6	Very low	157 Å²	157	150.6 Å²	150.6	73%	0.734	80%	0.798	S	S	*	*			cis	-126.2	-133.1	12.4	-148.2	80.1	-118.4	0	0	110.1
34	E	26.4	Very low	27.5	Very low	182 Å²	182	149 Å²	149	85%	0.85	79%	0.79	S	S	*	*			cis	-147.4	-127.2	6.4	-158.6	179.7	-112.5	0	0	110.6
35	E	28.1	Very low	27.3	Very low	178 Å²	178	150.7 Å²	150.7	83%	0.832	79%	0.792	S	S	*	*			trans	-134.1	169.5	-165.3	-84.6	-152.3	136.8	0	0	112.6
36	A	26.8	Very low	27.3	Very low	86 Å²	86	152.3 Å²	152.3	71%	0.711	79%	0.794	S	S	*	*			cis	-166.3	157.2	-23.1	0	0	0	0	0	111.1
37	G	25.1	Very low	27.5	Very low	74 Å²	74	153.9 Å²	153.9	76%	0.763	79%	0.788	S	S	*	*			trans	77	114	133	0	0	0	0	0	123.3
38	R	25.8	Very low	27.8	Very low	240 Å²	240	150.6 Å²	150.6	91%	0.906	78%	0.784	S	S	*	*				95.6	144.3	120.1	-142.5	-169.2	-164.9	-175.8	6.6	120.2
39	I	26.6	Very low	28.7	Very low	139 Å²	139	148 Å²	148	71%	0.713	78%	0.776	S	S	*	*			trans	100.6	109	154.8	-55.9	-177	0	0	0	119.6
40	K	25	Very low	30	Very low	194 Å²	194	141 Å²	141	84%	0.843	74%	0.742	S	S	*	*			trans	55.6	140.5	145.6	-80.4	-173.6	168.4	-173.1	0	124
41	D	29.7	Very low	31.1	Very low	154 Å²	154	135.3 Å²	135.3	82%	0.824	71%	0.713	S	S	*	*			trans	-65.1	146.9	153.9	-33.2	-109	0	0	0	113.5
42	C	26.7	Very low	32.3	Very low	124 Å²	124	134 Å²	134	84%	0.838	71%	0.707	S	S	*	*			trans	-155.8	164	136.8	-147.5	0	0	0	0	110.7
43	W	27.5	Very low	33.7	Very low	235 Å²	235	131.7 Å²	131.7	89%	0.89	70%	0.699	S	S	*	*			trans	-77.2	177.4	172.6	-52.9	-18.1	0	0	0	110
44	D	26.7	Very low	35.5	Very low	118 Å²	118	125.2 Å²	125.2	63%	0.631	67%	0.67	S	S	*	*			cis	-166.4	163.4	23	-155.6	3.8	0	0	0	113.6
45	N	25.8	Very low	37.6	Very low	130 Å²	130	122.2 Å²	122.2	70%	0.695	67%	0.67	S	S	*	*			trans	62.8	150.9	169	-59.1	-70.1	0	0	0	117
46	Q	28.1	Very low	39.6	Very low	190 Å²	190	117.8 Å²	117.8	89%	0.888	65%	0.652	S	S	*	*			cis	-143.9	172.1	28.3	-160.4	164	7.7	0	0	113
47	E	30.4	Very low	42	Very low	164 Å²	164	114 Å²	114	77%	0.766	62%	0.621	S	S	*	*			trans	-84	154.6	-156.5	-59.4	173.6	95	0	0	118.1
48	A	34.1	Very low	44.1	Very low	89 Å²	89	115.8 Å²	115.8	74%	0.736	61%	0.612	S	S	*	*			trans	-127.7	107.9	150	0	0	0	0	0	109.1	A50	A48-A50 PolarHBondContact O-N 3.27Å
49	P	47.3	Very low	46.7	Very low	88 Å²	88	108.9 Å²	108.9	57%	0.571	59%	0.593	S	S	*	*			trans	-82.5	31.8	-163.4	33.7	-38	0	0	0	114.8	L51 S52	P49-L51 PolarHBondContact O-N 3.42Å; P49-S52 PolarHBondContact O-OG 3.25Å
50	A	53.1	Low	49.2	Very low	21 Å²	21	106 Å²	106	17%	0.174	58%	0.575	C	S	.	*	S	Bend	trans	-81.2	-4.2	-166	0	0	0	0	0	116.1	A48	A48-A50 PolarHBondContact O-N 3.27Å
51	L	53.5	Low	51.7	Low	17 Å²	17	102.6 Å²	102.6	9%	0.089	56%	0.557	C	S	.	*	S	Bend	trans	-144.8	7.1	179.1	-73	178.9	0	0	0	114	P49 T53 C54 A57 R61 F73 V76	P49-L51 PolarHBondContact O-N 3.42Å; L51-T53 VanDerWaalsContact C-N 3.29Å; L51-T53 PolarHBondContact O-N 2.84Å; L51-C54 PolarHBondContact O-SG 3.06Å; L51-A57 HydrophobicContact CB-CB 4.1Å; L51-A57 WeakPolarHBondContact O-CB 3.33Å; L51-R61 HydrophobicContact CD1-CG 3.6Å; L51-F73 HydrophobicContact CD1-CB 4.37Å; L51-F73 HydrophobicContact CD1-CD2 3.82Å; L51-F73 HydrophobicContact CD1-CE2 4.5Å; L51-F73 HydrophobicContact CD1-CG 4.42Å; L51-F73 HydrophobicContact CD2-CB 4.33Å; L51-F73 HydrophobicContact CG-CB 4.3Å; L51-V76 HydrophobicContact CD2-CB 4.41Å; L51-V76 HydrophobicContact CD2-CG1 4.22Å
52	S	55.9	Low	53.9	Low	95 Å²	95	104.6 Å²	104.6	66%	0.664	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-22	-175.4	51.4	0	0	0	0	113.8	P49	P49-S52 PolarHBondContact O-OG 3.25Å
53	T	57.5	Low	56.4	Low	90 Å²	90	102.5 Å²	102.5	55%	0.552	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-12	-175.9	50.7	0	0	0	0	114.8	L51 C77	L51-T53 VanDerWaalsContact C-N 3.29Å; L51-T53 PolarHBondContact O-N 2.84Å; T53-C77 PolarHBondContact OG1-O 3.12Å
54	C	64.6	Low	59.1	Low	21 Å²	21	92 Å²	92	14%	0.142	49%	0.494	C	S	.	.			trans	-107.7	129.9	-173.1	70.1	0	0	0	0	113.2	L51 N56 A57 C77	L51-C54 PolarHBondContact O-SG 3.06Å; C54-N56 PolarHBondContact O-N 2.9Å; C54-N56 VanDerWaalsContact O-N 3.13Å; C54-A57 WeakPolarHBondContact O-CB 3.32Å; C54-A57 PolarHBondContact O-N 3.16Å; C54-A57 VanDerWaalsContact O-N 3.11Å; C54-A57 VanDerWaalsContact SG-CA 3.55Å; C54-C77 HydrophobicContact CB-CB 3.92Å; C54-C77 VanDerWaalsContact CB-SG 3.59Å
55	S	70.9	Confident	61.6	Low	120 Å²	120	89.2 Å²	89.2	84%	0.839	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-29	179	50.9	0	0	0	0	113.8
56	N	71.3	Confident	64.4	Low	85 Å²	85	89.6 Å²	89.6	46%	0.455	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	11.5	-177.8	-67	-17.9	0	0	0	113.8	C54 N58 I59 F60	C54-N56 PolarHBondContact O-N 2.9Å; C54-N56 VanDerWaalsContact O-N 3.13Å; N56-N58 PolarHBondContact O-N 2.79Å; N56-N58 VanDerWaalsContact O-N 3.11Å; N56-I59 HydrophobicContact CB-CD1 4.2Å; N56-I59 WeakPolarHBondContact O-CA 3.23Å; N56-I59 WeakPolarHBondContact O-CB 3.46Å; N56-I59 PolarHBondContact O-N 2.58Å; N56-F60 HydrophobicContact CB-CD2 4.29Å; N56-F60 HydrophobicContact CB-CE2 3.93Å; N56-F60 WeakPolarHBondContact O-CD2 3.11Å; N56-F60 PolarHBondContact O-N 3.34Å
57	A	76	Confident	66.8	Low	7 Å²	7	84.6 Å²	84.6	6%	0.058	47%	0.467	C	S	.	.	H	α-helix	trans	-48.5	-41.8	-177.2	0	0	0	0	0	114.5	L51 C54 I59 F60 R61	L51-A57 HydrophobicContact CB-CB 4.1Å; L51-A57 WeakPolarHBondContact O-CB 3.33Å; C54-A57 WeakPolarHBondContact O-CB 3.32Å; C54-A57 PolarHBondContact O-N 3.16Å; C54-A57 VanDerWaalsContact O-N 3.11Å; C54-A57 VanDerWaalsContact SG-CA 3.55Å; A57-I59 VanDerWaalsContact C-N 3.26Å; A57-I59 PolarHBondContact O-N 2.84Å; A57-F60 PolarHBondContact O-N 3.38Å; A57-R61 PolarHBondContact O-N 3.44Å
58	N	70.8	Confident	69.2	Low	110 Å²	110	84 Å²	84	59%	0.588	47%	0.469	S	S	*	.	H	α-helix	trans	-69.1	-23.5	-179.5	-67	-21.8	0	0	0	112.9	N56 R61 R62	N56-N58 PolarHBondContact O-N 2.79Å; N56-N58 VanDerWaalsContact O-N 3.11Å; N58-R61 PolarHBondContact OD1-NH1 3.29Å; N58-R61 PolarHBondContact OD1-NH2 3.15Å; N58-R62 WeakPolarHBondContact O-CB 3.17Å; N58-R62 PolarHBondContact O-N 3.39Å
59	I	79.5	Confident	71.4	Confident	95 Å²	95	85.2 Å²	85.2	49%	0.487	46%	0.463	S	S	.	.	H	α-helix	trans	-77.1	-48.7	175.5	-57.9	173.1	0	0	0	109.3	N56 A57 R61 R62 I63	N56-I59 HydrophobicContact CB-CD1 4.2Å; N56-I59 WeakPolarHBondContact O-CA 3.23Å; N56-I59 WeakPolarHBondContact O-CB 3.46Å; N56-I59 PolarHBondContact O-N 2.58Å; A57-I59 VanDerWaalsContact C-N 3.26Å; A57-I59 PolarHBondContact O-N 2.84Å; I59-R61 PolarHBondContact O-N 3.13Å; I59-R62 WeakPolarHBondContact O-CB 3.26Å; I59-R62 PolarHBondContact O-N 2.88Å; I59-R62 VanDerWaalsContact O-N 3.07Å; I59-I63 HydrophobicContact CG2-CD1 3.91Å; I59-I63 HydrophobicContact CG2-CG1 4.48Å; I59-I63 WeakPolarHBondContact O-CG1 3.48Å; I59-I63 PolarHBondContact O-N 2.89Å
60	F	78.3	Confident	72.8	Confident	80 Å²	80	85.8 Å²	85.8	35%	0.351	47%	0.469	S	S	.	.	H	α-helix	trans	-59.8	-43.7	177.5	-68.7	-68.8	0	0	0	112.4	N56 A57 R62 I63 N64 F73	N56-F60 HydrophobicContact CB-CD2 4.29Å; N56-F60 HydrophobicContact CB-CE2 3.93Å; N56-F60 WeakPolarHBondContact O-CD2 3.11Å; N56-F60 PolarHBondContact O-N 3.34Å; A57-F60 PolarHBondContact O-N 3.38Å; F60-R62 VanDerWaalsContact C-N 3.32Å; F60-R62 PolarHBondContact O-N 3.47Å; F60-I63 PolarHBondContact O-N 2.94Å; F60-N64 PolarHBondContact O-N 2.78Å; F60-F73 HydrophobicContact CB-CE2 4.06Å; F60-F73 HydrophobicContact CB-CZ 4.12Å; F60-F73 WeakPolarHBondContact O-CE2 3.45Å
61	R	77.4	Confident	73.9	Confident	122 Å²	122	88.4 Å²	88.4	46%	0.46	48%	0.48	S	S	.	.	H	α-helix	trans	-61.6	-36.2	173.3	-71.9	-169.3	-111.1	99.2	2.1	112.9	L51 A57 N58 I59 A65	L51-R61 HydrophobicContact CD1-CG 3.6Å; A57-R61 PolarHBondContact O-N 3.44Å; N58-R61 PolarHBondContact OD1-NH1 3.29Å; N58-R61 PolarHBondContact OD1-NH2 3.15Å; I59-R61 PolarHBondContact O-N 3.13Å; R61-A65 WeakPolarHBondContact O-CB 3.43Å; R61-A65 PolarHBondContact O-N 3.11Å
62	R	76.3	Confident	74.9	Confident	196 Å²	196	93.6 Å²	93.6	74%	0.74	51%	0.508	S	S	*	.	H	α-helix	trans	-68.4	-41.7	174.6	-104.3	-176.1	172.2	176.8	-1.6	113.2	N58 I59 F60 N64 A65 I66	N58-R62 WeakPolarHBondContact O-CB 3.17Å; N58-R62 PolarHBondContact O-N 3.39Å; I59-R62 WeakPolarHBondContact O-CB 3.26Å; I59-R62 PolarHBondContact O-N 2.88Å; I59-R62 VanDerWaalsContact O-N 3.07Å; F60-R62 VanDerWaalsContact C-N 3.32Å; F60-R62 PolarHBondContact O-N 3.47Å; R62-N64 VanDerWaalsContact C-N 3.33Å; R62-A65 PolarHBondContact O-N 3.4Å; R62-I66 WeakPolarHBondContact O-CD1 3.41Å; R62-I66 WeakPolarHBondContact O-CG1 3.33Å; R62-I66 PolarHBondContact O-N 2.98Å
63	I	80.5	Confident	75.7	Confident	80 Å²	80	90.6 Å²	90.6	41%	0.41	48%	0.483	S	S	.	.	H	α-helix	trans	-63.4	-43.1	176.8	-68	168.2	0	0	0	109.8	I59 F60 A65 I66 L67	I59-I63 HydrophobicContact CG2-CD1 3.91Å; I59-I63 HydrophobicContact CG2-CG1 4.48Å; I59-I63 WeakPolarHBondContact O-CG1 3.48Å; I59-I63 PolarHBondContact O-N 2.89Å; F60-I63 PolarHBondContact O-N 2.94Å; I63-A65 PolarHBondContact O-N 3.43Å; I63-I66 WeakPolarHBondContact O-CB 3.35Å; I63-I66 PolarHBondContact O-N 3.36Å; I63-I66 VanDerWaalsContact O-N 3.12Å; I63-L67 HydrophobicContact CG2-CD1 4.04Å; I63-L67 WeakPolarHBondContact O-CG 3.49Å; I63-L67 PolarHBondContact O-N 3.3Å
64	N	83	Confident	75.8	Confident	13 Å²	13	89.1 Å²	89.1	7%	0.07	48%	0.476	C	S	.	.	H	α-helix	trans	-66.8	-37.2	178.6	-156.4	22.8	0	0	0	112.8	F60 R62 I66 L67 D68 N69 S70 L71 F73	F60-N64 PolarHBondContact O-N 2.78Å; R62-N64 VanDerWaalsContact C-N 3.33Å; N64-I66 PolarHBondContact O-N 3.43Å; N64-L67 CarbonylContact O-C 3.57Å; N64-L67 VanDerWaalsContact O-C 3.25Å; N64-L67 WeakPolarHBondContact O-CA 3.4Å; N64-L67 PolarHBondContact O-N 3.29Å; N64-D68 PolarHBondContact O-N 2.87Å; N64-N69 WeakPolarHBondContact O-CA 2.76Å; N64-N69 PolarHBondContact O-N 3.11Å; N64-N69 VanDerWaalsContact OD1-C 3.26Å; N64-N69 WeakPolarHBondContact OD1-CA 3.43Å; N64-S70 PolarHBondContact OD1-N 2.85Å; N64-L71 PolarHBondContact ND2-O 3.28Å; N64-L71 VanDerWaalsContact OD1-CB 3.26Å; N64-L71 WeakPolarHBondContact OD1-CB 3.43Å; N64-L71 PolarHBondContact OD1-N 3.07Å; N64-F73 HydrophobicContact CB-CE2 3.58Å; N64-F73 HydrophobicContact CB-CZ 3.84Å
65	A	79.9	Confident	75.4	Confident	61 Å²	61	98.6 Å²	98.6	50%	0.504	51%	0.509	S	S	.	.	H	α-helix	trans	-67.2	-17.3	173.1	0	0	0	0	0	114.1	R61 R62 I63	R61-A65 WeakPolarHBondContact O-CB 3.43Å; R61-A65 PolarHBondContact O-N 3.11Å; R62-A65 PolarHBondContact O-N 3.4Å; I63-A65 PolarHBondContact O-N 3.43Å
66	I	85.1	Confident	74.7	Confident	137 Å²	137	95.3 Å²	95.3	70%	0.703	48%	0.484	S	S	*	.	H	α-helix	trans	-86	-14	170.2	-67.4	163.1	0	0	0	111.2	R62 I63 N64	R62-I66 WeakPolarHBondContact O-CD1 3.41Å; R62-I66 WeakPolarHBondContact O-CG1 3.33Å; R62-I66 PolarHBondContact O-N 2.98Å; I63-I66 WeakPolarHBondContact O-CB 3.35Å; I63-I66 PolarHBondContact O-N 3.36Å; I63-I66 VanDerWaalsContact O-N 3.12Å; N64-I66 PolarHBondContact O-N 3.43Å
67	L	76.9	Confident	73.9	Confident	85 Å²	85	94 Å²	94	45%	0.445	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	30.5	179.4	-60.5	172.1	0	0	0	111.3	I63 N64 N69 S70 L71	I63-L67 HydrophobicContact CG2-CD1 4.04Å; I63-L67 WeakPolarHBondContact O-CG 3.49Å; I63-L67 PolarHBondContact O-N 3.3Å; N64-L67 CarbonylContact O-C 3.57Å; N64-L67 VanDerWaalsContact O-C 3.25Å; N64-L67 WeakPolarHBondContact O-CA 3.4Å; N64-L67 PolarHBondContact O-N 3.29Å; L67-N69 PolarHBondContact O-N 3.02Å; L67-S70 WeakPolarHBondContact O-CB 3.47Å; L67-S70 PolarHBondContact O-N 3.04Å; L67-L71 HydrophobicContact CD1-CD1 3.89Å; L67-L71 HydrophobicContact CD1-CG 4.33Å
68	D	82.4	Confident	72.7	Confident	152 Å²	152	98.1 Å²	98.1	81%	0.813	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	31.9	-179.7	-63.9	-40.5	0	0	0	115.3	N64 S70	N64-D68 PolarHBondContact O-N 2.87Å; D68-S70 VanDerWaalsContact C-N 3.27Å; D68-S70 PolarHBondContact O-N 3.43Å
69	N	79.9	Confident	71.5	Confident	114 Å²	114	98 Å²	98	61%	0.61	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	25.2	-175.3	-51.4	-74.8	0	0	0	115	N64 L67 L71	N64-N69 WeakPolarHBondContact O-CA 2.76Å; N64-N69 PolarHBondContact O-N 3.11Å; N64-N69 VanDerWaalsContact OD1-C 3.26Å; N64-N69 WeakPolarHBondContact OD1-CA 3.43Å; L67-N69 PolarHBondContact O-N 3.02Å; N69-L71 PolarHBondContact O-N 3.38Å; N69-L71 VanDerWaalsContact O-N 3.15Å
70	S	76.7	Confident	69.6	Low	101 Å²	101	99.6 Å²	99.6	71%	0.706	53%	0.525	S	S	*	.			trans	-62.1	-17.1	-179.5	-179.4	0	0	0	0	115.2	N64 L67 D68	N64-S70 PolarHBondContact OD1-N 2.85Å; L67-S70 WeakPolarHBondContact O-CB 3.47Å; L67-S70 PolarHBondContact O-N 3.04Å; D68-S70 VanDerWaalsContact C-N 3.27Å; D68-S70 PolarHBondContact O-N 3.43Å
71	L	75.9	Confident	67.6	Low	75 Å²	75	103 Å²	103	39%	0.393	55%	0.545	S	S	.	.			trans	-99.1	124.6	-179	-51	177.3	0	0	0	111	N64 L67 N69 F73	N64-L71 PolarHBondContact ND2-O 3.28Å; N64-L71 VanDerWaalsContact OD1-CB 3.26Å; N64-L71 WeakPolarHBondContact OD1-CB 3.43Å; N64-L71 PolarHBondContact OD1-N 3.07Å; L67-L71 HydrophobicContact CD1-CD1 3.89Å; L67-L71 HydrophobicContact CD1-CG 4.33Å; N69-L71 PolarHBondContact O-N 3.38Å; N69-L71 VanDerWaalsContact O-N 3.15Å; L71-F73 HydrophobicContact CB-CD1 4.41Å; L71-F73 HydrophobicContact CB-CE1 3.79Å; L71-F73 HydrophobicContact CB-CZ 4.01Å; L71-F73 HydrophobicContact CD1-CE1 4.03Å; L71-F73 HydrophobicContact CD1-CZ 4.04Å
72	D	75.1	Confident	65.3	Low	126 Å²	126	104.6 Å²	104.6	67%	0.674	56%	0.563	S	S	*	*			trans	-80.7	132.7	164.1	-180	26.7	0	0	0	110.4	S74	D72-S74 VanDerWaalsContact OD1-CB 3.23Å; D72-S74 WeakPolarHBondContact OD1-CB 3.41Å; D72-S74 PolarHBondContact OD1-N 2.71Å; D72-S74 PolarHBondContact OD1-OG 3.42Å; D72-S74 WeakPolarHBondContact OD2-CB 3.47Å; D72-S74 PolarHBondContact OD2-OG 2.76Å
73	F	70.9	Confident	63.2	Low	32 Å²	32	106.2 Å²	106.2	14%	0.14	57%	0.569	C	S	.	*			trans	-111.3	7.4	175.7	-60.2	-43.4	0	0	0	113.4	L51 F60 N64 L71 R75 V76	L51-F73 HydrophobicContact CD1-CB 4.37Å; L51-F73 HydrophobicContact CD1-CD2 3.82Å; L51-F73 HydrophobicContact CD1-CE2 4.5Å; L51-F73 HydrophobicContact CD1-CG 4.42Å; L51-F73 HydrophobicContact CD2-CB 4.33Å; L51-F73 HydrophobicContact CG-CB 4.3Å; F60-F73 HydrophobicContact CB-CE2 4.06Å; F60-F73 HydrophobicContact CB-CZ 4.12Å; F60-F73 WeakPolarHBondContact O-CE2 3.45Å; N64-F73 HydrophobicContact CB-CE2 3.58Å; N64-F73 HydrophobicContact CB-CZ 3.84Å; L71-F73 HydrophobicContact CB-CD1 4.41Å; L71-F73 HydrophobicContact CB-CE1 3.79Å; L71-F73 HydrophobicContact CB-CZ 4.01Å; L71-F73 HydrophobicContact CD1-CE1 4.03Å; L71-F73 HydrophobicContact CD1-CZ 4.04Å; F73-R75 PolarHBondContact O-N 3.37Å; F73-V76 HydrophobicContact CB-CB 4.37Å; F73-V76 HydrophobicContact CB-CG2 4.13Å; F73-V76 HydrophobicContact CD1-CG2 4.1Å; F73-V76 WeakPolarHBondContact O-CB 3.47Å; F73-V76 PolarHBondContact O-N 2.95Å
74	S	61.2	Low	60.7	Low	60 Å²	60	105.3 Å²	105.3	42%	0.42	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-49.7	-20.5	-173.8	66.4	0	0	0	0	116.4	D72	D72-S74 VanDerWaalsContact OD1-CB 3.23Å; D72-S74 WeakPolarHBondContact OD1-CB 3.41Å; D72-S74 PolarHBondContact OD1-N 2.71Å; D72-S74 PolarHBondContact OD1-OG 3.42Å; D72-S74 WeakPolarHBondContact OD2-CB 3.47Å; D72-S74 PolarHBondContact OD2-OG 2.76Å
75	R	56.3	Low	58.1	Low	220 Å²	220	112.3 Å²	112.3	83%	0.83	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119	10.2	-179.1	-56.9	-175.7	-178.1	-157.2	-1.8	114.3	F73	F73-R75 PolarHBondContact O-N 3.37Å
76	V	56.2	Low	55.7	Low	51 Å²	51	117.1 Å²	117.1	31%	0.309	63%	0.627	S	S	.	*	S	Bend	trans	-84.1	138.5	-179.5	179.2	0	0	0	0	109.8	L51 F73 T78	L51-V76 HydrophobicContact CD2-CB 4.41Å; L51-V76 HydrophobicContact CD2-CG1 4.22Å; F73-V76 HydrophobicContact CB-CB 4.37Å; F73-V76 HydrophobicContact CB-CG2 4.13Å; F73-V76 HydrophobicContact CD1-CG2 4.1Å; F73-V76 WeakPolarHBondContact O-CB 3.47Å; F73-V76 PolarHBondContact O-N 2.95Å; V76-T78 PolarHBondContact O-N 2.98Å
77	C	53.5	Low	53	Low	57 Å²	57	116.6 Å²	116.6	39%	0.385	63%	0.626	S	S	.	*	S	Bend	trans	56.3	21.2	175	-65.9	0	0	0	0	117.2	T53 C54 T79	T53-C77 PolarHBondContact OG1-O 3.12Å; C54-C77 HydrophobicContact CB-CB 3.92Å; C54-C77 VanDerWaalsContact CB-SG 3.59Å; C77-T79 PolarHBondContact O-N 3.12Å; C77-T79 VanDerWaalsContact O-N 3.16Å
78	T	51.6	Low	50.7	Low	94 Å²	94	121.9 Å²	121.9	58%	0.577	65%	0.648	S	S	*	*			trans	-79.7	90	171.7	54.9	0	0	0	0	111.4	V76	V76-T78 PolarHBondContact O-N 2.98Å
79	T	44.6	Very low	48	Very low	108 Å²	108	122.3 Å²	122.3	66%	0.663	65%	0.649	S	S	*	*			trans	-91.5	128.9	167.8	43.9	0	0	0	0	110.7	C77 I81	C77-T79 PolarHBondContact O-N 3.12Å; C77-T79 VanDerWaalsContact O-N 3.16Å; T79-I81 PolarHBondContact O-N 3.49Å
80	P	39.4	Very low	46.1	Very low	127 Å²	127	122 Å²	122	83%	0.825	65%	0.654	S	S	*	*			trans	-71.4	126.9	177.9	28.1	-33.1	0	0	0	110.9	N82	P80-N82 PolarHBondContact O-N 3.3Å
81	I	36.9	Very low	43.7	Very low	152 Å²	152	124.1 Å²	124.1	78%	0.779	66%	0.657	S	S	*	*			trans	-77.8	107	178.2	-62.6	176.5	0	0	0	109.1	T79 R83	T79-I81 PolarHBondContact O-N 3.49Å; I81-R83 HydrophobicContact CG2-CG 4.31Å; I81-R83 PolarHBondContact O-N 3.27Å
82	N	29.2	Very low	41.3	Very low	155 Å²	155	129.5 Å²	129.5	83%	0.829	68%	0.678	S	S	*	*			trans	-82.3	99.3	174.8	-165.1	-3	0	0	0	110.7	P80	P80-N82 PolarHBondContact O-N 3.3Å
83	R	32.8	Very low	39.1	Very low	230 Å²	230	131.9 Å²	131.9	87%	0.868	69%	0.685	S	S	*	*			trans	-98	114.2	165.3	-80.7	-176.7	173.4	-179.4	-1	108.6	I81	I81-R83 HydrophobicContact CG2-CG 4.31Å; I81-R83 PolarHBondContact O-N 3.27Å
84	G	26.7	Very low	37	Very low	62 Å²	62	136.5 Å²	136.5	64%	0.639	71%	0.711	S	S	*	*			trans	-85.7	148.8	171.1	0	0	0	0	0	112.5
85	I	29.1	Very low	35.5	Very low	160 Å²	160	138.4 Å²	138.4	82%	0.821	72%	0.724	S	S	*	*			trans	180	135.5	133.3	-95.4	160.6	0	0	0	109.8
86	H	28.6	Very low	34.2	Very low	162 Å²	162	137.2 Å²	137.2	75%	0.75	73%	0.728	S	S	*	*			trans	47.7	121.9	166.2	-78.3	-62.3	0	0	0	122.6
87	D	29.2	Very low	32.8	Very low	126 Å²	126	143.4 Å²	143.4	67%	0.674	75%	0.754	S	S	*	*			trans	22.5	124	136.9	-53.3	-65.2	0	0	0	120.9
88	H	27.4	Very low	31.5	Very low	196 Å²	196	146.7 Å²	146.7	91%	0.907	77%	0.772	S	S	*	*				-166.1	139.5	116	-102	-73.6	0	0	0	111.6
89	L	25.9	Very low	30.4	Very low	160 Å²	160	147.7 Å²	147.7	84%	0.838	78%	0.778	S	S	*	*			trans	-103.3	168.1	162.8	-82.6	166.3	0	0	0	108.8
90	P	41.2	Very low	29.5	Very low	109 Å²	109	149.3 Å²	149.3	71%	0.708	79%	0.788	S	S	*	*			cis	-112.1	-159.7	1.4	43.6	-29.1	0	0	0	111
91	D	24.9	Very low	29	Very low	144 Å²	144	148.7 Å²	148.7	77%	0.77	79%	0.787	S	S	*	*			cis	-159	-177.3	39.4	-144.4	-21.4	0	0	0	114.6
92	F	27.1	Very low	28.7	Very low	189 Å²	189	151.6 Å²	151.6	83%	0.829	79%	0.788	S	S	*	*			trans	-90.2	-179.9	-165	-91.2	-99.6	0	0	0	117.2
93	Q	28.5	Very low	28.6	Very low	176 Å²	176	152.7 Å²	152.7	82%	0.822	79%	0.79	S	S	*	*			trans	84.5	134.4	169.2	-62	-174.9	-33.9	0	0	116.5
94	D	26.3	Very low	28.4	Very low	129 Å²	129	147.9 Å²	147.9	69%	0.69	78%	0.781	S	S	*	*			cis	-155.5	-179.8	-10.9	-138.8	-57.7	0	0	0	111.6
95	S	30.3	Very low	28.4	Very low	99 Å²	99	154.5 Å²	154.5	69%	0.692	79%	0.792	S	S	*	*			trans	-17.3	153.9	164.2	-54.4	0	0	0	0	118.7
96	E	27.7	Very low	28.5	Very low	196 Å²	196	152.8 Å²	152.8	92%	0.916	79%	0.791	S	S	*	*			cis	-144.6	-176.8	38.5	-74.3	-175.1	113.8	0	0	115.3
97	E	27.1	Very low	28.4	Very low	181 Å²	181	151.9 Å²	151.9	85%	0.846	80%	0.798	S	S	*	*			trans	-69.2	165.1	179.6	-46.1	-178.5	106.3	0	0	113.1
98	T	26.6	Very low	28.4	Very low	125 Å²	125	151.3 Å²	151.3	77%	0.767	80%	0.804	S	S	*	*				-171.7	124.6	80.5	-62.4	0	0	0	0	112.6
99	V	28.7	Very low	28.6	Very low	116 Å²	116	146.4 Å²	146.4	70%	0.703	80%	0.797	S	S	*	*			trans	41	116.6	154.2	-175.2	0	0	0	0	120.2
100	T	26.4	Very low	28.7	Very low	141 Å²	141	147.9 Å²	147.9	87%	0.865	80%	0.8	S	S	*	*			trans	-121.1	129.1	140.5	42.7	0	0	0	0	109.8
101	S	29.1	Very low	27.9	Very low	115 Å²	115	150.9 Å²	150.9	80%	0.804	80%	0.804	S	S	*	*			trans	-85.3	142.7	-176.8	-78.7	0	0	0	0	113
102	R	30.7	Very low	28	Very low	212 Å²	212	149.3 Å²	149.3	80%	0.8	80%	0.804	S	S	*	*			trans	-89.4	156.2	-178.2	-58.4	169.8	170.7	163.3	-5.3	112.6	L104	R102-L104 HydrophobicContact CB-CG 4.2Å
103	M	25.8	Very low	28	Very low	179 Å²	179	145.3 Å²	145.3	88%	0.882	80%	0.8	S	S	*	*				-162.6	103.2	123.9	-107.3	177.4	155.6	0	0	108
104	L	28.8	Very low	28.1	Very low	129 Å²	129	148.9 Å²	148.9	68%	0.675	81%	0.806	S	S	*	*				88.3	102.7	65.5	-77.6	172.6	0	0	0	113.7	R102	R102-L104 HydrophobicContact CB-CG 4.2Å
105	F	26	Very low	28	Very low	200 Å²	200	146.6 Å²	146.6	88%	0.877	81%	0.813	S	S	*	*			trans	-105	143.3	152.3	-70.8	-87.5	0	0	0	108.6
106	P	32.4	Very low	28	Very low	124 Å²	124	149.8 Å²	149.8	81%	0.805	82%	0.821	S	S	*	*			trans	-96.5	130.7	176.5	34.3	-30.5	0	0	0	113
107	T	25.2	Very low	28.4	Very low	143 Å²	143	146.2 Å²	146.2	88%	0.877	82%	0.815	S	S	*	*			trans	-148.2	114.4	166.4	-26	0	0	0	0	112
108	S	30.3	Very low	28.4	Very low	115 Å²	115	145.1 Å²	145.1	80%	0.804	82%	0.815	S	S	*	*			trans	-163.3	124.7	164.4	51.7	0	0	0	0	107.1
109	A	31.3	Very low	28.7	Very low	93 Å²	93	142.7 Å²	142.7	77%	0.769	81%	0.808	S	S	*	*			cis	80.5	93.9	32.4	0	0	0	0	0	114.7
110	Q	28	Very low	28.8	Very low	191 Å²	191	144.6 Å²	144.6	89%	0.893	81%	0.814	S	S	*	*				-170	174.9	116.2	-107.2	-171.9	-30.7	0	0	112.7
111	E	24.5	Very low	28.8	Very low	172 Å²	172	144.1 Å²	144.1	80%	0.804	81%	0.806	S	S	*	*			trans	-105.1	154.7	-166.8	-58.1	147.1	98.5	0	0	113.3
112	S	26.5	Very low	28.9	Very low	110 Å²	110	145.6 Å²	145.6	77%	0.769	80%	0.804	S	S	*	*				163.8	122.1	109.7	51.5	0	0	0	0	116.8
113	S	27.4	Very low	28.8	Very low	105 Å²	105	141.1 Å²	141.1	73%	0.734	80%	0.804	S	S	*	*			trans	62.2	132.1	138.7	74.6	0	0	0	0	124.6
114	R	30.4	Very low	29.1	Very low	252 Å²	252	141.4 Å²	141.4	95%	0.951	81%	0.808	S	S	*	*			trans	74.5	120.8	149.9	-67	172.5	177.9	179.4	0.4	120.7
115	G	24.7	Very low	29	Very low	81 Å²	81	138.9 Å²	138.9	84%	0.835	81%	0.813	S	S	*	*			trans	157.4	118.3	155.7	0	0	0	0	0	115.6
116	L	31.1	Very low	29.3	Very low	166 Å²	166	137.7 Å²	137.7	87%	0.869	82%	0.815	S	S	*	*			trans	-111.6	144.9	157.5	-83.7	167.2	0	0	0	107
117	P	35.8	Very low	29.2	Very low	121 Å²	121	140.9 Å²	140.9	79%	0.786	82%	0.819	S	S	*	*				-119.9	157.8	79.9	0.7	22.3	0	0	0	112.5
118	D	25.9	Very low	29.2	Very low	157 Å²	157	139.4 Å²	139.4	84%	0.84	82%	0.815	S	S	*	*				78.8	149.4	60.7	-156	20.4	0	0	0	114.1
119	A	33.1	Very low	29.2	Very low	75 Å²	75	141.8 Å²	141.8	62%	0.62	82%	0.817	S	S	*	*			trans	-127.5	138.6	-155.8	0	0	0	0	0	115.1
120	N	30.9	Very low	29.1	Very low	155 Å²	155	141.9 Å²	141.9	83%	0.829	81%	0.812	S	S	*	*			trans	-175.6	172.7	137.3	-98.4	-35.6	0	0	0	113.3
121	D	27.8	Very low	29.2	Very low	132 Å²	132	140.3 Å²	140.3	71%	0.706	81%	0.81	S	S	*	*			trans	79.2	93.5	157.9	-63	-23	0	0	0	122.9
122	L	30.8	Very low	29.4	Very low	145 Å²	145	138.3 Å²	138.3	76%	0.759	81%	0.809	S	S	*	*				72.8	94.5	114.9	-67.7	167.6	0	0	0	121.8
123	C	29	Very low	29.3	Very low	118 Å²	118	135.8 Å²	135.8	80%	0.797	80%	0.8	S	S	*	*				27.5	98.3	118.1	-58.5	0	0	0	0	121.1
124	L	30.7	Very low	29.4	Very low	185 Å²	185	142.2 Å²	142.2	97%	0.969	81%	0.808	S	S	*	*			trans	-152.7	145.1	139.2	-70.4	-177.4	0	0	0	107.5
125	G	28.1	Very low	29.1	Very low	76 Å²	76	136.7 Å²	136.7	78%	0.784	80%	0.798	S	S	*	*			cis	-175.9	145.4	-10.4	0	0	0	0	0	109.2
126	L	32	Very low	29.5	Very low	175 Å²	175	143.1 Å²	143.1	92%	0.916	80%	0.797	S	S	*	*			trans	-103.7	138.9	-178.2	-81.6	170.4	0	0	0	112.4
127	Q	29.2	Very low	29.9	Very low	192 Å²	192	140.7 Å²	140.7	90%	0.897	79%	0.791	S	S	*	*			trans	-167.9	162.2	151.4	-114.5	165.8	43.9	0	0	114.4
128	S	26.2	Very low	29.6	Very low	111 Å²	111	146.3 Å²	146.3	78%	0.776	80%	0.797	S	S	*	*			trans	68.6	134.7	179.9	-95.1	0	0	0	0	116.5
129	L	29.1	Very low	29.6	Very low	165 Å²	165	142.7 Å²	142.7	86%	0.864	78%	0.784	S	S	*	*			cis	-122.6	-176.5	4.9	-77.2	167.9	0	0	0	112.6
130	S	29.4	Very low	29.5	Very low	95 Å²	95	144.7 Å²	144.7	66%	0.664	79%	0.788	S	S	*	*			trans	-138.2	144.5	-144.1	58.8	0	0	0	0	118.6
131	L	30.2	Very low	29.2	Very low	159 Å²	159	145.6 Å²	145.6	83%	0.832	79%	0.788	S	S	*	*			trans	65.5	164.4	146.2	-65.7	165.7	0	0	0	117.9
132	T	30	Very low	29.1	Very low	130 Å²	130	146.3 Å²	146.3	80%	0.798	79%	0.792	S	S	*	*			cis	-133.8	161.6	9.4	49.4	0	0	0	0	111.4
133	G	24	Very low	29	Very low	56 Å²	56	145.4 Å²	145.4	58%	0.577	80%	0.797	S	S	*	*			cis	157.7	168.7	-4.1	0	0	0	0	0	113.2
134	W	29.3	Very low	28.9	Very low	240 Å²	240	147.3 Å²	147.3	91%	0.909	80%	0.799	S	S	*	*			trans	69.4	136.4	157	-61	32.8	0	0	0	117.5
135	D	24	Very low	28.8	Very low	137 Å²	137	143.8 Å²	143.8	73%	0.733	79%	0.79	S	S	*	*			cis	-156	177	-5.6	-133.8	-39.8	0	0	0	114.3
136	R	33.1	Very low	28.9	Very low	215 Å²	215	145.2 Å²	145.2	81%	0.811	79%	0.789	S	S	*	*			trans	-123.3	165.4	177.3	-98.7	-176	174.3	-178.8	-1.6	112.8
137	P	39.3	Very low	28.7	Very low	116 Å²	116	141.4 Å²	141.4	75%	0.753	78%	0.782	S	S	*	*				-127.4	144.4	105.6	6.2	15.3	0	0	0	111.6
138	W	29.2	Very low	28.7	Very low	239 Å²	239	141.1 Å²	141.1	91%	0.905	78%	0.781	S	S	*	*				66.2	136.4	65.7	-98.3	-34.8	0	0	0	114.1
139	S	27.6	Very low	28.7	Very low	80 Å²	80	140.8 Å²	140.8	56%	0.559	78%	0.779	S	S	*	*			cis	-160.7	165.8	3.1	64.8	0	0	0	0	114
140	T	29.1	Very low	28.6	Very low	117 Å²	117	137.1 Å²	137.1	72%	0.718	77%	0.767	S	S	*	*			trans	62.8	146.2	146.5	46.1	0	0	0	0	120.2
141	Q	25.3	Very low	28.5	Very low	175 Å²	175	138.3 Å²	138.3	82%	0.818	77%	0.77	S	S	*	*			cis	-154.5	151.5	-2.5	-144.7	162.9	-10.4	0	0	111
142	D	26.8	Very low	28.4	Very low	147 Å²	147	139.2 Å²	139.2	79%	0.786	77%	0.77	S	S	*	*			trans	-89.2	161.1	173.9	-50.1	-84.4	0	0	0	113
143	S	27.4	Very low	28.4	Very low	125 Å²	125	137.9 Å²	137.9	87%	0.874	77%	0.766	S	S	*	*			trans	-163.2	119.5	157.8	-76.5	0	0	0	0	111.4
144	D	27.7	Very low	28.7	Very low	158 Å²	158	141 Å²	141	85%	0.845	77%	0.773	S	S	*	*			trans	-76.9	157.7	172.1	-71.3	-68.5	0	0	0	113.1
145	S	28.9	Very low	28.8	Very low	111 Å²	111	137.1 Å²	137.1	78%	0.776	77%	0.769	S	S	*	*				173.3	133.4	120.9	-78.3	0	0	0	0	115.9
146	S	28.7	Very low	29	Very low	107 Å²	107	134.5 Å²	134.5	75%	0.748	76%	0.762	S	S	*	*			trans	37	107.5	144.8	66.1	0	0	0	0	122.7
147	A	28.8	Very low	28.9	Very low	95 Å²	95	132 Å²	132	79%	0.785	76%	0.761	S	S	*	*				56	142.8	114.9	0	0	0	0	0	124
148	Q	27.8	Very low	28.5	Very low	186 Å²	186	132.8 Å²	132.8	87%	0.869	76%	0.759	S	S	*	*			trans	115	114.7	152.1	-61.8	-158.2	5.9	0	0	119.4
149	S	26.2	Very low	28.5	Very low	104 Å²	104	129.7 Å²	129.7	73%	0.727	75%	0.754	S	S	*	*			trans	65.9	120	131.4	-148.1	0	0	0	0	123.8
150	S	27.4	Very low	28.9	Very low	88 Å²	88	132.8 Å²	132.8	62%	0.615	76%	0.764	S	S	*	*			trans	70.4	103.3	130.4	62.5	0	0	0	0	123.4
151	T	28.2	Very low	29.7	Very low	120 Å²	120	133.4 Å²	133.4	74%	0.736	77%	0.77	S	S	*	*				83.6	144.3	120	60.6	0	0	0	0	123.9
152	H	28.6	Very low	30.1	Very low	178 Å²	178	133.3 Å²	133.3	82%	0.824	77%	0.774	S	S	*	*			trans	92.7	138.5	155.5	-71.5	-64.7	0	0	0	122.1
153	S	29.3	Very low	30.2	Very low	102 Å²	102	129.1 Å²	129.1	71%	0.713	77%	0.766	S	S	*	*			trans	-68.5	-178.8	-179.6	-35.1	0	0	0	0	113
154	V	31.1	Very low	30.4	Very low	121 Å²	121	130.5 Å²	130.5	73%	0.733	76%	0.764	S	S	*	*			cis	-164.2	159.6	30.7	-128.5	0	0	0	0	111.1
155	L	30.9	Very low	30.7	Very low	158 Å²	158	129 Å²	129	83%	0.827	76%	0.76	S	S	*	*			trans	63.6	162.1	153.3	-66.7	164.2	0	0	0	117.6
156	S	27.2	Very low	31	Very low	82 Å²	82	131.7 Å²	131.7	57%	0.573	77%	0.765	S	S	*	*			cis	-171.5	160.8	-30.7	-165.2	0	0	0	0	110.2
157	M	31.6	Very low	30.9	Very low	162 Å²	162	129.8 Å²	129.8	80%	0.798	76%	0.762	S	S	*	*			trans	67.5	159.8	161.3	-55.6	-145.9	177.8	0	0	117.6
158	L	31.6	Very low	31	Very low	134 Å²	134	135 Å²	135	70%	0.702	77%	0.767	S	S	*	*			cis	-161.8	154	-21.6	-105.5	173.4	0	0	0	110.2
159	H	29.3	Very low	32.1	Very low	173 Å²	173	131.7 Å²	131.7	80%	0.801	76%	0.761	S	S	*	*			trans	73	146.5	146.9	-94.5	-138.6	0	0	0	125.9
160	N	35.7	Very low	33.5	Very low	146 Å²	146	131.8 Å²	131.8	78%	0.781	76%	0.759	S	S	*	*			trans	-87.1	169.5	160.9	-66.3	-25.3	0	0	0	111.7
161	P	44.4	Very low	33.6	Very low	130 Å²	130	135.2 Å²	135.2	84%	0.844	77%	0.77	S	S	*	*			trans	-113.5	168.8	144.1	36.6	-28.3	0	0	0	113.4
162	L	33.9	Very low	33.4	Very low	172 Å²	172	133.5 Å²	133.5	90%	0.901	76%	0.763	S	S	*	*			trans	-156.5	134.4	-172	-151.6	175.3	0	0	0	111.2
163	G	28.7	Very low	33.4	Very low	59 Å²	59	134.6 Å²	134.6	61%	0.608	77%	0.766	S	S	*	*			trans	165.4	140.3	168	0	0	0	0	0	112.5
164	N	33.6	Very low	33.4	Very low	155 Å²	155	137.5 Å²	137.5	83%	0.829	77%	0.772	S	S	*	*			cis	80.5	135.4	48.4	-76.3	-5.8	0	0	0	112.8
165	V	33.9	Very low	33.9	Very low	125 Å²	125	136.7 Å²	136.7	76%	0.758	77%	0.77	S	S	*	*			cis	-163.8	158.4	11.8	81.5	0	0	0	0	115.4
166	L	34.9	Very low	33.8	Very low	169 Å²	169	136.9 Å²	136.9	89%	0.885	77%	0.771	S	S	*	*			trans	68.5	135.2	145.1	-157	68.1	0	0	0	124.5
167	G	25.9	Very low	34.1	Very low	67 Å²	67	140 Å²	140	69%	0.691	78%	0.781	S	S	*	*			trans	174.3	142	161.5	0	0	0	0	0	115.3
168	K	30	Very low	34.9	Very low	205 Å²	205	137.6 Å²	137.6	89%	0.891	78%	0.777	S	S	*	*			trans	-167.2	178.5	-176.7	-90.2	-166.8	-178.9	-176.1	0	109.9
169	P	52	Low	34.9	Very low	115 Å²	115	139.6 Å²	139.6	75%	0.747	79%	0.788	S	S	*	*			cis	-121.6	-130.1	-29.6	31.8	-7.9	0	0	0	108.3
170	P	54.6	Low	34.7	Very low	106 Å²	106	135.1 Å²	135.1	69%	0.688	79%	0.788	S	S	*	*			cis	-132	-149.3	-26.9	37.5	-14.3	0	0	0	113.9
171	L	30.2	Very low	34.4	Very low	160 Å²	160	133.8 Å²	133.8	84%	0.838	79%	0.79	S	S	*	*			trans	74.5	141.6	172.5	-56.6	-176.2	0	0	0	118.4
172	S	25.1	Very low	33.7	Very low	84 Å²	84	134.4 Å²	134.4	59%	0.587	79%	0.787	S	S	*	*			cis	-179	149.5	-33.4	45.3	0	0	0	0	110.2
173	F	28.7	Very low	33.5	Very low	202 Å²	202	133.8 Å²	133.8	89%	0.886	78%	0.783	S	S	*	*			trans	126.4	159.2	160.3	-78.6	-77.6	0	0	0	118.2
174	L	29	Very low	33.6	Very low	162 Å²	162	136 Å²	136	85%	0.848	79%	0.785	S	S	*	*			trans	-120.1	-175	-164.9	-75.9	173.4	0	0	0	109.3
175	P	41.3	Very low	33.4	Very low	105 Å²	105	134.2 Å²	134.2	68%	0.682	78%	0.775	S	S	*	*			cis	-153	170	20.8	45.6	-24.4	0	0	0	122.1
176	L	28.5	Very low	33	Very low	162 Å²	162	136.4 Å²	136.4	85%	0.848	77%	0.774	S	S	*	*			trans	70.3	136.5	140.2	-77.5	163.2	0	0	0	124.3
177	D	32.8	Very low	32.9	Very low	146 Å²	146	137.9 Å²	137.9	78%	0.781	77%	0.774	S	S	*	*			trans	-83.4	-173.5	168.8	-48.3	-87.7	0	0	0	113.4
178	P	48.5	Very low	33.6	Very low	112 Å²	112	140.7 Å²	140.7	73%	0.727	78%	0.78	S	S	*	*				-148.4	139.6	100.2	36	-19	0	0	0	118.7
179	L	31.9	Very low	33.6	Very low	177 Å²	177	135 Å²	135	93%	0.927	77%	0.772	S	S	*	*			trans	51.4	138.9	141.6	-75.7	82.5	0	0	0	122.9
180	G	26.3	Very low	32.9	Very low	78 Å²	78	136 Å²	136	80%	0.804	78%	0.778	S	S	*	*			trans	173.3	71.9	162.9	0	0	0	0	0	116.5
181	S	28.3	Very low	31.6	Very low	118 Å²	118	136.2 Å²	136.2	83%	0.825	78%	0.782	S	S	*	*			trans	-35.9	164.8	173.9	-72.8	0	0	0	0	119.4
182	D	29.8	Very low	31.7	Very low	144 Å²	144	134.3 Å²	134.3	77%	0.77	78%	0.777	S	S	*	*			cis	177.9	-176.9	-27.6	-140.2	-46.6	0	0	0	108
183	L	29.5	Very low	31.9	Very low	158 Å²	158	141.6 Å²	141.6	83%	0.827	79%	0.791	S	S	*	*			trans	77.9	137.1	157.4	-151.1	79	0	0	0	118.6
184	V	32.1	Very low	31.8	Very low	106 Å²	106	135.7 Å²	135.7	64%	0.642	79%	0.788	S	S	*	*			cis	-172.3	172.7	-41	123.2	0	0	0	0	108.9
185	D	28.1	Very low	31.7	Very low	117 Å²	117	134 Å²	134	63%	0.626	79%	0.79	S	S	*	*			trans	85.4	140.4	167.2	-82.4	1	0	0	0	119.7
186	K	26.6	Very low	31.2	Very low	171 Å²	171	139.9 Å²	139.9	74%	0.743	80%	0.798	S	S	*	*			cis	-158.7	148.8	-23.4	-139.4	-177.4	-148.4	84	0	110.7
187	F	31.8	Very low	31.3	Very low	201 Å²	201	139.5 Å²	139.5	88%	0.882	80%	0.796	S	S	*	*			trans	-80.4	168	169.9	-86.2	-69.7	0	0	0	111.3
188	P	40.8	Very low	31	Very low	126 Å²	126	139.6 Å²	139.6	82%	0.818	80%	0.797	S	S	*	*			cis	-146.5	178.3	35.7	43.4	-23.1	0	0	0	119.2
189	A	30.6	Very low	29.9	Very low	86 Å²	86	140.7 Å²	140.7	71%	0.711	80%	0.802	S	S	*	*			trans	-114.9	154.7	163.1	0	0	0	0	0	110.9
190	P	36.6	Very low	29.8	Very low	134 Å²	134	143.8 Å²	143.8	87%	0.87	80%	0.801	S	S	*	*			trans	-86.8	152.4	171.1	34.2	-32.9	0	0	0	112.6
191	S	28.4	Very low	30	Very low	112 Å²	112	146.2 Å²	146.2	78%	0.783	80%	0.802	S	S	*	*			trans	-101.2	160.9	177.8	175.5	0	0	0	0	111.5
192	V	30.5	Very low	30	Very low	120 Å²	120	148.1 Å²	148.1	73%	0.727	80%	0.801	S	S	*	*			trans	-179.6	129	130	142.5	0	0	0	0	112
193	R	29.3	Very low	30.2	Very low	236 Å²	236	149.5 Å²	149.5	89%	0.891	81%	0.808	S	S	*	*			trans	40.3	140.7	155.6	-58	170.3	-168.3	-179.9	2.8	120
194	G	27.4	Very low	30	Very low	79 Å²	79	146.6 Å²	146.6	81%	0.814	79%	0.793	S	S	*	*			cis	118.8	97.5	1.2	0	0	0	0	0	113.8
195	S	27.8	Very low	29.8	Very low	126 Å²	126	147.4 Å²	147.4	88%	0.881	80%	0.804	S	S	*	*			trans	-151.3	166.8	159.6	-165.7	0	0	0	0	109.8
196	R	30.2	Very low	29.8	Very low	229 Å²	229	151.5 Å²	151.5	86%	0.864	81%	0.81	S	S	*	*			trans	-126.4	166.4	-174.4	-75.3	-175.9	170.8	-173.5	-2.1	112.4
197	L	30.3	Very low	30	Very low	153 Å²	153	148.4 Å²	148.4	80%	0.801	81%	0.811	S	S	*	*			trans	82.4	139.6	169.2	-50.6	177.7	0	0	0	114
198	D	25.5	Very low	29.8	Very low	149 Å²	149	144.6 Å²	144.6	80%	0.797	81%	0.809	S	S	*	*			cis	-131.9	164.4	9	-98.2	-49.5	0	0	0	113.6
199	T	25.5	Very low	29.3	Very low	135 Å²	135	143 Å²	143	83%	0.828	80%	0.801	S	S	*	*			trans	-122.9	111.5	175.5	37.1	0	0	0	0	113.6
200	R	30.8	Very low	29.3	Very low	242 Å²	242	143.5 Å²	143.5	91%	0.913	80%	0.797	S	S	*	*			trans	-141.7	142.5	153.7	-74	-165.7	173.5	177.5	-1	110.6
201	P	30.9	Very low	29.5	Very low	128 Å²	128	138 Å²	138	83%	0.831	76%	0.761	S	S	*	*			trans	-87.4	141.5	-177.8	34.2	-33.8	0	0	0	112.2
202	I	28.3	Very low	29.6	Very low	158 Å²	158	137.8 Å²	137.8	81%	0.81	75%	0.751	S	S	*	*			trans	-131.2	127.2	165	-65.8	-179.8	0	0	0	108.5	D204	I202-D204 HydrophobicContact CG2-CB 4.43Å
203	L	34.3	Very low	29.8	Very low	174 Å²	174	135.2 Å²	135.2	91%	0.911	74%	0.739	S	S	*	*			trans	-83.2	110.2	168.1	-78.2	155.9	0	0	0	108.7
204	D	25.4	Very low	30	Very low	97 Å²	97	131.7 Å²	131.7	52%	0.519	74%	0.738	S	S	.	*			trans	-155.2	74.7	165.5	-154	8.4	0	0	0	111.9	I202 R206	I202-D204 HydrophobicContact CG2-CB 4.43Å; D204-R206 VanDerWaalsContact C-N 3.29Å; D204-R206 PolarHBondContact O-N 3.29Å; D204-R206 IonicContact OD1-NE 3.2Å; D204-R206 IonicContact OD2-CZ 3.16Å; D204-R206 VanDerWaalsContact OD2-CZ 3.23Å; D204-R206 IonicContact OD2-NE 2.82Å; D204-R206 PolarHBondContact OD2-NE 3.2Å; D204-R206 IonicContact OD2-NH2 2.66Å; D204-R206 PolarHBondContact OD2-NH2 3.41Å
205	S	26.2	Very low	30.5	Very low	123 Å²	123	133 Å²	133	86%	0.86	73%	0.73	S	S	*	*			trans	-78.1	72.8	178.9	-64.2	0	0	0	0	112.2	S207	S205-S207 PolarHBondContact O-N 2.95Å
206	R	28.8	Very low	30.8	Very low	202 Å²	202	129.8 Å²	129.8	76%	0.762	71%	0.708	S	S	*	*			trans	-73.1	111.6	173.6	-59.5	-176.5	-172.6	-163.3	2.2	110.9	D204	D204-R206 VanDerWaalsContact C-N 3.29Å; D204-R206 PolarHBondContact O-N 3.29Å; D204-R206 IonicContact OD1-NE 3.2Å; D204-R206 IonicContact OD2-CZ 3.16Å; D204-R206 VanDerWaalsContact OD2-CZ 3.23Å; D204-R206 IonicContact OD2-NE 2.82Å; D204-R206 PolarHBondContact OD2-NE 3.2Å; D204-R206 IonicContact OD2-NH2 2.66Å; D204-R206 PolarHBondContact OD2-NH2 3.41Å
207	S	30.2	Very low	31	Very low	107 Å²	107	119.8 Å²	119.8	75%	0.748	68%	0.676	S	S	*	*			trans	-104.4	114.8	170	57.1	0	0	0	0	111	S205 S209	S205-S207 PolarHBondContact O-N 2.95Å; S207-S209 PolarHBondContact O-N 2.9Å
208	S	27.8	Very low	31.1	Very low	121 Å²	121	120.8 Å²	120.8	85%	0.846	67%	0.674	S	S	*	*			trans	-76.8	115.1	-175	-55.8	0	0	0	0	112.5
209	S	29.8	Very low	31.3	Very low	93 Å²	93	118 Å²	118	65%	0.65	67%	0.666	S	S	*	*			trans	-111.7	106.6	173.8	-61.9	0	0	0	0	110.4	S207	S207-S209 PolarHBondContact O-N 2.9Å
210	P	30.7	Very low	31.6	Very low	96 Å²	96	118 Å²	118	62%	0.623	67%	0.671	S	S	*	*			trans	-80.4	136.1	-179.5	32.3	-33.7	0	0	0	111.2	K583	P210-K583 HydrophobicContact CB-CD 3.89Å; P210-K583 HydrophobicContact CG-CD 3.98Å
211	S	41.1	Very low	31.5	Very low	18 Å²	18	109 Å²	109	13%	0.126	65%	0.654	C	S	.	*			trans	-74	176.8	-171.7	-56.1	0	0	0	0	114.9	K488 K583	S211-K488 WeakPolarHBondContact OG-CB 3.35Å; S211-K488 PolarHBondContact OG-N 2.97Å; S211-K488 VanDerWaalsContact OG-N 3.11Å; S211-K583 PolarHBondContact O-NZ 2.76Å
212	D	30.8	Very low	32	Very low	107 Å²	107	108.5 Å²	108.5	57%	0.572	65%	0.653	S	S	*	*			trans	81.7	111	160.9	-38.3	-47.8	0	0	0	116.3
213	S	35.6	Very low	32.5	Very low	66 Å²	66	106.6 Å²	106.6	46%	0.462	65%	0.645	S	S	.	*			trans	-171.4	92.2	170.1	-76.1	0	0	0	0	112.7	T215 N581	S213-T215 VanDerWaalsContact C-N 3.25Å; S213-T215 PolarHBondContact O-N 3.4Å; S213-T215 PolarHBondContact O-OG1 2.86Å; S213-N581 PolarHBondContact OG-ND2 3.07Å
214	D	32.2	Very low	32.9	Very low	163 Å²	163	105.1 Å²	105.1	87%	0.872	63%	0.633	S	S	*	*			trans	31.1	10	137.5	-48.6	-24.3	0	0	0	124
215	T	37.5	Very low	33.4	Very low	107 Å²	107	106.9 Å²	106.9	66%	0.656	64%	0.642	S	S	*	*			trans	-89.4	-13.1	-172.3	51.9	0	0	0	0	115	S213 G217 I493	S213-T215 VanDerWaalsContact C-N 3.25Å; S213-T215 PolarHBondContact O-N 3.4Å; S213-T215 PolarHBondContact O-OG1 2.86Å; T215-G217 PolarHBondContact O-N 3.37Å; T215-I493 PolarHBondContact OG1-O 2.93Å
216	S	34	Very low	34	Very low	58 Å²	58	104.2 Å²	104.2	41%	0.406	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.7	43.5	-179.5	57	0	0	0	0	113.7	Y383	S216-Y383 PolarHBondContact O-OH 2.95Å
217	G	35.3	Very low	34.5	Very low	19 Å²	19	100.1 Å²	100.1	20%	0.196	62%	0.617	C	S	.	*	T	Hydrogen-bonded Turn	trans	-87.7	-40.3	-171.6	0	0	0	0	0	116	T215 K381	T215-G217 PolarHBondContact O-N 3.37Å; G217-K381 PolarHBondContact O-NZ 3.04Å
218	F	32.2	Very low	35	Very low	173 Å²	173	100.8 Å²	100.8	76%	0.759	61%	0.611	S	S	*	*			trans	-135.9	115.1	-155.4	-57.8	-79.7	0	0	0	115.7	K524	F218-K524 PolarHBondContact O-NZ 2.81Å
219	S	29.6	Very low	35.8	Very low	92 Å²	92	101 Å²	101	64%	0.643	60%	0.601	S	S	*	*			trans	-147.2	129.5	156.3	-81	0	0	0	0	108.9
220	S	32.3	Very low	36.1	Very low	133 Å²	133	100.8 Å²	100.8	93%	0.93	60%	0.6	S	S	*	*			trans	43.2	108	166.4	-55.8	0	0	0	0	120.2
221	G	28.1	Very low	36.4	Very low	53 Å²	53	100.8 Å²	100.8	55%	0.546	60%	0.602	S	S	.	*			trans	-178.3	120.4	162.4	0	0	0	0	0	110.1	D223	G221-D223 PolarHBondContact O-N 2.86Å
222	S	41.8	Very low	36	Very low	118 Å²	118	106.5 Å²	106.5	83%	0.825	63%	0.631	S	S	*	*			trans	-100.9	71.6	-163.5	57.3	0	0	0	0	113.9
223	D	38.5	Very low	36.1	Very low	118 Å²	118	112.3 Å²	112.3	63%	0.631	65%	0.645	S	S	*	*			trans	-130.2	5.9	-173.6	-74.7	-70.6	0	0	0	115.6	G221 L225 S226	G221-D223 PolarHBondContact O-N 2.86Å; D223-L225 PolarHBondContact O-N 2.7Å; D223-S226 PolarHBondContact O-N 2.98Å; D223-S226 VanDerWaalsContact O-N 3.11Å; D223-S226 PolarHBondContact O-OG 3.33Å
224	H	42.9	Very low	36.1	Very low	143 Å²	143	117 Å²	117	66%	0.662	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-3.6	-167.2	-62.1	-50.8	0	0	0	117.4
225	L	35.5	Very low	36	Very low	135 Å²	135	114 Å²	114	71%	0.707	66%	0.655	S	S	*	*	H	α-helix	trans	-78.6	-26	172.1	-83	164.1	0	0	0	113.1	D223 I229	D223-L225 PolarHBondContact O-N 2.7Å; L225-I229 WeakPolarHBondContact O-CG1 3.42Å; L225-I229 PolarHBondContact O-N 2.95Å
226	S	38.9	Very low	35.6	Very low	67 Å²	67	114.8 Å²	114.8	47%	0.469	66%	0.662	S	S	.	*	H	α-helix	trans	-69.2	-38.8	-171.3	-58.9	0	0	0	0	113.6	D223 S230	D223-S226 PolarHBondContact O-N 2.98Å; D223-S226 VanDerWaalsContact O-N 3.11Å; D223-S226 PolarHBondContact O-OG 3.33Å; S226-S230 PolarHBondContact O-N 2.82Å; S226-S230 PolarHBondContact O-OG 3.05Å
227	D	39.7	Very low	35.7	Very low	116 Å²	116	117.6 Å²	117.6	62%	0.62	68%	0.678	S	S	*	*	H	α-helix	trans	-76	-34.5	-177.3	-66.2	-35.2	0	0	0	112.5	S230 S231	D227-S230 PolarHBondContact O-N 2.8Å; D227-S231 PolarHBondContact O-N 3.49Å; D227-S231 PolarHBondContact O-OG 3.09Å
228	L	40.7	Very low	35.4	Very low	120 Å²	120	124.5 Å²	124.5	63%	0.628	71%	0.71	S	S	*	*	H	α-helix	trans	-66.2	-45	177	-76.8	167.6	0	0	0	111.6	S230 S231	L228-S230 VanDerWaalsContact C-N 3.27Å; L228-S230 PolarHBondContact O-N 2.55Å; L228-S231 WeakPolarHBondContact O-CB 3.47Å; L228-S231 PolarHBondContact O-N 2.88Å; L228-S231 VanDerWaalsContact O-N 3.11Å
229	I	44.3	Very low	35.5	Very low	125 Å²	125	122 Å²	122	64%	0.641	71%	0.712	S	S	*	*	H	α-helix	trans	-65.7	-33.2	177.1	-64.6	171.8	0	0	0	111	L225 S231 L232	L225-I229 WeakPolarHBondContact O-CG1 3.42Å; L225-I229 PolarHBondContact O-N 2.95Å; I229-S231 PolarHBondContact O-N 3.4Å; I229-L232 PolarHBondContact O-N 3.11Å
230	S	37	Very low	35.7	Very low	89 Å²	89	126.9 Å²	126.9	62%	0.622	72%	0.721	S	S	*	*	H	α-helix	trans	-66.7	-18.8	175.3	-61.5	0	0	0	0	113.9	S226 D227 L228	S226-S230 PolarHBondContact O-N 2.82Å; S226-S230 PolarHBondContact O-OG 3.05Å; D227-S230 PolarHBondContact O-N 2.8Å; L228-S230 VanDerWaalsContact C-N 3.27Å; L228-S230 PolarHBondContact O-N 2.55Å
231	S	36.2	Very low	35.5	Very low	96 Å²	96	128.7 Å²	128.7	67%	0.671	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-13.1	-176.9	-57.8	0	0	0	0	114.1	D227 L228 I229 R233	D227-S231 PolarHBondContact O-N 3.49Å; D227-S231 PolarHBondContact O-OG 3.09Å; L228-S231 WeakPolarHBondContact O-CB 3.47Å; L228-S231 PolarHBondContact O-N 2.88Å; L228-S231 VanDerWaalsContact O-N 3.11Å; I229-S231 PolarHBondContact O-N 3.4Å; S231-R233 PolarHBondContact O-N 3.19Å
232	L	33.4	Very low	35.5	Very low	139 Å²	139	130.5 Å²	130.5	73%	0.728	72%	0.724	S	S	*	*			trans	-98.8	81.5	-179.2	-75.8	170.3	0	0	0	112	I229	I229-L232 PolarHBondContact O-N 3.11Å
233	R	32.7	Very low	34.8	Very low	228 Å²	228	132.9 Å²	132.9	86%	0.86	73%	0.726	S	S	*	*			trans	-124.8	98.2	160.3	-67.2	-168.5	-170.1	177.7	6.1	110.4	S231	S231-R233 PolarHBondContact O-N 3.19Å
234	I	35.9	Very low	34.1	Very low	164 Å²	164	133.3 Å²	133.3	84%	0.841	74%	0.739	S	S	*	*			trans	-81.1	132.5	168.1	-57.1	175.7	0	0	0	107.6
235	S	28.6	Very low	33.3	Very low	102 Å²	102	130.1 Å²	130.1	71%	0.713	75%	0.745	S	S	*	*			trans	-148.9	140	170.7	-64.6	0	0	0	0	108.9
236	P	29.2	Very low	32.9	Very low	123 Å²	123	127.8 Å²	127.8	80%	0.799	75%	0.753	S	S	*	*			trans	-79.4	162.4	-168.1	32.1	-36.5	0	0	0	113.7
237	P	35.9	Very low	32.3	Very low	116 Å²	116	128.2 Å²	128.2	75%	0.753	77%	0.768	S	S	*	*			trans	-88.8	-172.6	-178.8	37.5	-37.4	0	0	0	113.9
238	L	29.2	Very low	32.4	Very low	164 Å²	164	128.4 Å²	128.4	86%	0.859	78%	0.776	S	S	*	*			trans	94.9	151.6	172.3	-55.5	177.6	0	0	0	116.3
239	P	34.2	Very low	31.9	Very low	122 Å²	122	134.4 Å²	134.4	79%	0.792	79%	0.79	S	S	*	*			cis	-133.5	-178.2	-30.3	35.3	-17.3	0	0	0	114.3
240	F	34.2	Very low	31	Very low	194 Å²	194	135.7 Å²	135.7	85%	0.851	80%	0.798	S	S	*	*			trans	-74.2	149.4	174.2	-122.9	-103.5	0	0	0	113.1
241	L	29.2	Very low	31.4	Very low	170 Å²	170	135.9 Å²	135.9	89%	0.89	80%	0.797	S	S	*	*			trans	-173.5	175.4	137.6	-105.9	175.6	0	0	0	112.2
242	S	26.2	Very low	31.2	Very low	91 Å²	91	139.1 Å²	139.1	64%	0.636	81%	0.806	S	S	*	*			trans	-129	165.1	-164.4	-55.9	0	0	0	0	115
243	L	28.1	Very low	30.9	Very low	168 Å²	168	142.4 Å²	142.4	88%	0.88	81%	0.814	S	S	*	*			trans	97.8	135.2	146.8	-136.4	81	0	0	0	120.9
244	S	24.9	Very low	30.6	Very low	127 Å²	127	140.5 Å²	140.5	89%	0.888	82%	0.818	S	S	*	*			trans	81.6	152.2	149.8	-150.4	0	0	0	0	121
245	G	26	Very low	30.2	Very low	77 Å²	77	136.4 Å²	136.4	79%	0.794	82%	0.816	S	S	*	*			trans	132.3	112.3	176.7	0	0	0	0	0	113
246	G	25.9	Very low	30.1	Very low	86 Å²	86	138.8 Å²	138.8	89%	0.887	83%	0.826	S	S	*	*			trans	-168.6	-179.5	-178.6	0	0	0	0	0	116.3
247	G	26.4	Very low	30	Very low	76 Å²	76	136 Å²	136	78%	0.784	82%	0.82	S	S	*	*			trans	112.3	172.9	178.8	0	0	0	0	0	114.1
248	P	42.9	Very low	29.7	Very low	119 Å²	119	136.3 Å²	136.3	77%	0.773	83%	0.825	S	S	*	*			cis	-135.4	173.8	-1.8	41.2	-25.2	0	0	0	116.2
249	R	29.6	Very low	29.7	Very low	247 Å²	247	138.2 Å²	138.2	93%	0.932	82%	0.821	S	S	*	*			trans	98.5	151.9	161.1	-61.9	-173	167.4	-173	-5.1	119.5
250	D	25.5	Very low	29.5	Very low	152 Å²	152	138.3 Å²	138.3	81%	0.813	81%	0.812	S	S	*	*			trans	-169.2	179.6	-155.7	-144.8	7.1	0	0	0	105.6
251	P	45.8	Very low	29.3	Very low	92 Å²	92	134.7 Å²	134.7	60%	0.597	80%	0.801	S	S	*	*			cis	-139.6	-176	-7.1	33.9	-10.2	0	0	0	116.7
252	L	30.8	Very low	29.3	Very low	164 Å²	164	133.3 Å²	133.3	86%	0.859	79%	0.79	S	S	*	*			trans	75.3	124	158.4	-46.9	-178.4	0	0	0	120.8
253	K	28.2	Very low	29.4	Very low	208 Å²	208	136.9 Å²	136.9	90%	0.904	80%	0.797	S	S	*	*				-176.8	153.1	92.3	-160.6	164.6	-176	177.2	0	114
254	M	26	Very low	29.4	Very low	188 Å²	188	138 Å²	138	93%	0.926	80%	0.797	S	S	*	*			trans	-42.9	150.7	177.9	-131.2	77.2	167.5	0	0	118.4
255	G	26.8	Very low	29.6	Very low	78 Å²	78	136.9 Å²	136.9	80%	0.804	80%	0.796	S	S	*	*			trans	177.4	78.1	166.2	0	0	0	0	0	120.5
256	V	27.7	Very low	29.7	Very low	152 Å²	152	137.3 Å²	137.3	92%	0.921	79%	0.792	S	S	*	*			trans	0.5	131.8	153.4	-179.8	0	0	0	0	121.5
257	G	26.3	Very low	29.8	Very low	65 Å²	65	141.4 Å²	141.4	67%	0.67	79%	0.793	S	S	*	*				130.5	134.5	118.7	0	0	0	0	0	122.1
258	S	29.3	Very low	29.9	Very low	123 Å²	123	142 Å²	142	86%	0.86	79%	0.79	S	S	*	*			trans	67.9	136.4	145.4	-175.6	0	0	0	0	120
259	R	30.3	Very low	29.2	Very low	204 Å²	204	140.9 Å²	140.9	77%	0.77	79%	0.791	S	S	*	*			cis	-171.2	157.6	-20.5	-135.7	-174.7	-179	-138.1	1.4	108.4
260	M	29.9	Very low	29.1	Very low	123 Å²	123	135.9 Å²	135.9	61%	0.606	79%	0.788	S	S	*	*			trans	31.7	137.3	134.7	-74.8	173.3	86.1	0	0	120.1
261	D	29.8	Very low	29.2	Very low	119 Å²	119	134.8 Å²	134.8	64%	0.636	79%	0.787	S	S	*	*			cis	-167.2	174.5	30.8	-92.5	-26.7	0	0	0	110.5
262	Q	29.5	Very low	28.9	Very low	140 Å²	140	136.7 Å²	136.7	65%	0.654	80%	0.799	S	S	*	*			cis	-166.4	131.4	-22.8	172.6	167.8	7	0	0	111.2
263	E	28.1	Very low	28.6	Very low	167 Å²	167	134 Å²	134	78%	0.78	79%	0.794	S	S	*	*			trans	52.4	161.6	152.9	-68.3	173.9	140.9	0	0	125.3
264	Q	27.4	Very low	29.6	Very low	190 Å²	190	129.6 Å²	129.6	89%	0.888	79%	0.787	S	S	*	*			trans	-133.2	155.3	179.1	-61.2	177.5	-51.6	0	0	111.1
265	A	29.5	Very low	29.7	Very low	104 Å²	104	126.8 Å²	126.8	86%	0.86	78%	0.78	S	S	*	*			trans	58.5	131.9	142.1	0	0	0	0	0	123.4
266	A	28.3	Very low	29.7	Very low	86 Å²	86	128.6 Å²	128.6	71%	0.711	78%	0.78	S	S	*	*			trans	-159	124.4	139.4	0	0	0	0	0	108.5
267	L	27.9	Very low	29.7	Very low	173 Å²	173	125.6 Å²	125.6	91%	0.906	77%	0.772	S	S	*	*				60.7	141.3	89.7	-57.9	174.9	0	0	0	115.7
268	A	27.9	Very low	29.8	Very low	87 Å²	87	127.4 Å²	127.4	72%	0.719	77%	0.774	S	S	*	*			cis	-172	162.5	-19.9	0	0	0	0	0	112.3
269	A	27.8	Very low	29.9	Very low	97 Å²	97	131.3 Å²	131.3	80%	0.802	78%	0.776	S	S	*	*			trans	80.2	166	148	0	0	0	0	0	123.6
270	V	27.8	Very low	29.7	Very low	142 Å²	142	132.5 Å²	132.5	86%	0.861	78%	0.78	S	S	*	*			trans	91.7	131.4	166.5	-168.2	0	0	0	0	119.2
271	T	27.8	Very low	29.6	Very low	129 Å²	129	138 Å²	138	79%	0.791	79%	0.794	S	S	*	*			trans	-135.8	158.2	173.3	54.8	0	0	0	0	109.8
272	P	40.5	Very low	29.6	Very low	131 Å²	131	137.9 Å²	137.9	85%	0.851	80%	0.8	S	S	*	*				-147.6	-176.9	107.9	36	-17.7	0	0	0	115.9
273	S	24.4	Very low	29.5	Very low	108 Å²	108	134.5 Å²	134.5	76%	0.755	80%	0.803	S	S	*	*			trans	-103.2	-159.3	-177	64.7	0	0	0	0	111.2
274	P	48.3	Very low	29.5	Very low	115 Å²	115	131 Å²	131	75%	0.747	80%	0.803	S	S	*	*			cis	-119.2	-164	-8.1	34.8	-12	0	0	0	111.7
275	T	27.3	Very low	29.4	Very low	130 Å²	130	127.1 Å²	127.1	80%	0.798	80%	0.796	S	S	*	*			cis	-137.1	-168.8	16.2	61.2	0	0	0	0	109.4
276	S	27.7	Very low	29.3	Very low	115 Å²	115	128.5 Å²	128.5	80%	0.804	79%	0.794	S	S	*	*			cis	-145.9	167.9	5.5	-170.6	0	0	0	0	110.9
277	A	27.9	Very low	29.4	Very low	90 Å²	90	135.2 Å²	135.2	74%	0.744	80%	0.801	S	S	*	*			trans	-102	176.2	-179.5	0	0	0	0	0	111.3
278	S	27.5	Very low	29.6	Very low	103 Å²	103	131.9 Å²	131.9	72%	0.72	79%	0.79	S	S	*	*			cis	-160.3	144	6.1	-171	0	0	0	0	110.4
279	K	31.8	Very low	29.5	Very low	204 Å²	204	132.7 Å²	132.7	89%	0.887	79%	0.79	S	S	*	*			trans	-171.6	135.4	138.5	-105.2	155.8	-171.6	176.4	0	111
280	R	25.9	Very low	30	Very low	229 Å²	229	139.3 Å²	139.3	86%	0.864	80%	0.795	S	S	*	*			trans	-116.2	122.5	-167.7	-175.2	-172.7	-166	177.3	5.5	110.4
281	W	28.5	Very low	30.2	Very low	238 Å²	238	138.9 Å²	138.9	90%	0.902	79%	0.788	S	S	*	*			trans	-127.6	122	162.5	-73.4	104.9	0	0	0	108.2	G283	W281-G283 PolarHBondContact O-N 2.85Å
282	P	29.6	Very low	30.7	Very low	117 Å²	117	140.2 Å²	140.2	76%	0.76	79%	0.789	S	S	*	*			trans	-65.3	125	169.4	-18.7	32.6	0	0	0	109.8
283	G	27.2	Very low	30.3	Very low	70 Å²	70	142 Å²	142	72%	0.722	79%	0.791	S	S	*	*			trans	-78.2	163.7	172.8	0	0	0	0	0	112.3	W281	W281-G283 PolarHBondContact O-N 2.85Å
284	A	27.7	Very low	31	Very low	93 Å²	93	144.6 Å²	144.6	77%	0.769	79%	0.791	S	S	*	*			trans	42.2	90.5	164.5	0	0	0	0	0	116.4	V286	A284-V286 PolarHBondContact O-N 2.7Å; A284-V286 VanDerWaalsContact O-N 3.07Å
285	S	26.4	Very low	30.3	Very low	108 Å²	108	142.8 Å²	142.8	76%	0.755	79%	0.785	S	S	*	*			trans	-57.7	113	156.2	33.8	0	0	0	0	109.3	W287	S285-W287 PolarHBondContact O-N 2.98Å; S285-W287 VanDerWaalsContact O-N 3.17Å
286	V	26.4	Very low	30.9	Very low	133 Å²	133	142.5 Å²	142.5	81%	0.806	79%	0.786	S	S	*	*			trans	-64.3	114.1	-176.8	176.3	0	0	0	0	109.7	A284	A284-V286 PolarHBondContact O-N 2.7Å; A284-V286 VanDerWaalsContact O-N 3.07Å
287	W	31.7	Very low	31.6	Very low	227 Å²	227	144.6 Å²	144.6	86%	0.86	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-71.6	132.6	161.6	-65.8	75.6	0	0	0	107.8	S285 S289	S285-W287 PolarHBondContact O-N 2.98Å; S285-W287 VanDerWaalsContact O-N 3.17Å; W287-S289 PolarHBondContact O-N 2.68Å
288	P	32.1	Very low	32.7	Very low	103 Å²	103	143.5 Å²	143.5	67%	0.669	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-58.6	124.3	173.8	-24	34.4	0	0	0	110.3
289	S	25.4	Very low	33.7	Very low	105 Å²	105	142.6 Å²	142.6	73%	0.734	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-61.5	137.6	170.4	-173.5	0	0	0	0	109.3	W287	W287-S289 PolarHBondContact O-N 2.68Å
290	W	38.3	Very low	35	Very low	236 Å²	236	140 Å²	140	89%	0.894	74%	0.742	S	S	*	*			trans	-96.3	-3.4	-176.2	-95.3	104.1	0	0	0	114.6
291	D	31.3	Very low	37.7	Very low	133 Å²	133	130 Å²	130	71%	0.711	71%	0.708	S	S	*	*			trans	-104.9	133.1	-171.9	-74.4	-62.8	0	0	0	115
292	L	38.3	Very low	40.3	Very low	157 Å²	157	118.7 Å²	118.7	82%	0.822	67%	0.665	S	S	*	*			trans	64.8	66.3	153.2	-63.2	171.2	0	0	0	118.7
293	L	32.9	Very low	43	Very low	169 Å²	169	115.5 Å²	115.5	89%	0.885	64%	0.64	S	S	*	*				-119.8	142.8	114.5	-73.4	175.2	0	0	0	108.6	A295	L293-A295 VanDerWaalsContact C-N 3.29Å; L293-A295 PolarHBondContact O-N 2.9Å
294	E	38.7	Very low	45.8	Very low	162 Å²	162	116.7 Å²	116.7	76%	0.757	62%	0.623	S	S	*	*			trans	-68.3	91.5	168.1	-86.4	-153	118	0	0	108.8	K297	E294-K297 IonicContact OE1-NZ 3.58Å; E294-K297 PolarHBondContact OE1-NZ 2.96Å; E294-K297 VanDerWaalsContact OE1-NZ 3.16Å
295	A	34.8	Very low	48.6	Very low	76 Å²	76	115.7 Å²	115.7	63%	0.628	60%	0.602	S	S	*	*			trans	-57.3	142.5	165.6	0	0	0	0	0	109.3	L293 K297	L293-A295 VanDerWaalsContact C-N 3.29Å; L293-A295 PolarHBondContact O-N 2.9Å; A295-K297 PolarHBondContact O-N 3.32Å
296	P	38.3	Very low	51.4	Low	124 Å²	124	110.7 Å²	110.7	81%	0.805	57%	0.567	S	S	*	*			trans	-50.5	133	175.2	-26.6	34.6	0	0	0	110.4	D298	P296-D298 PolarHBondContact O-N 3.36Å
297	K	43.9	Very low	54.2	Low	160 Å²	160	111 Å²	111	70%	0.696	55%	0.554	S	S	*	*			trans	-68.4	75.4	-173.8	-80.8	170.5	174.2	132.9	0	111.8	E294 A295 P299 R304	E294-K297 IonicContact OE1-NZ 3.58Å; E294-K297 PolarHBondContact OE1-NZ 2.96Å; E294-K297 VanDerWaalsContact OE1-NZ 3.16Å; A295-K297 PolarHBondContact O-N 3.32Å; K297-P299 WeakPolarHBondContact O-CD 3.34Å; K297-P299 VanDerWaalsContact O-N 3.1Å; K297-R304 PolarHBondContact O-NH2 2.9Å
298	D	50.3	Low	56.7	Low	67 Å²	67	105.2 Å²	105.2	36%	0.358	54%	0.54	S	S	.	.			trans	-38.4	112.7	176.1	174.8	9.6	0	0	0	110.3	P296 F300 S301 R304 R560	P296-D298 PolarHBondContact O-N 3.36Å; D298-F300 PolarHBondContact O-N 3.4Å; D298-F300 VanDerWaalsContact O-N 3.11Å; D298-F300 PolarHBondContact OD1-N 2.8Å; D298-S301 PolarHBondContact O-N 2.8Å; D298-R304 VanDerWaalsContact C-NH2 3.32Å; D298-R304 PolarHBondContact O-NH2 2.95Å; D298-R560 IonicContact OD2-NH2 3.86Å
299	P	49.3	Very low	59.3	Low	84 Å²	84	101.8 Å²	101.8	55%	0.545	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-28.6	-179.8	-26.6	35.4	0	0	0	113.3	K297	K297-P299 WeakPolarHBondContact O-CD 3.34Å; K297-P299 VanDerWaalsContact O-N 3.1Å
300	F	57.9	Low	62.1	Low	148 Å²	148	101.8 Å²	101.8	65%	0.649	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	29.5	-171	-54.7	-77.2	0	0	0	113.5	D298 I302	D298-F300 PolarHBondContact O-N 3.4Å; D298-F300 VanDerWaalsContact O-N 3.11Å; D298-F300 PolarHBondContact OD1-N 2.8Å; F300-I302 PolarHBondContact O-N 3.22Å
301	S	81.9	Confident	64.2	Low	19 Å²	19	96.8 Å²	96.8	13%	0.133	49%	0.485	C	S	.	.			trans	-61.5	119.1	169.5	155.3	0	0	0	0	110.5	D298 E303 R304 E305	D298-S301 PolarHBondContact O-N 2.8Å; S301-E303 PolarHBondContact O-N 3.29Å; S301-E303 VanDerWaalsContact O-N 3.13Å; S301-E303 PolarHBondContact OG-N 3.43Å; S301-E303 PolarHBondContact OG-OE2 3.14Å; S301-R304 WeakPolarHBondContact O-CA 3.44Å; S301-R304 WeakPolarHBondContact O-CB 3.43Å; S301-R304 PolarHBondContact O-N 2.92Å; S301-R304 PolarHBondContact OG-N 2.92Å; S301-E305 PolarHBondContact O-N 3.47Å
302	I	84.4	Confident	66.7	Low	2 Å²	2	90.8 Å²	90.8	1%	0.01	45%	0.454	C	S	.	.	H	α-helix	trans	-52.7	-36	175.9	-48.1	169.8	0	0	0	111	F300 R304 E305 A306 F547 R560 W563 P577	F300-I302 PolarHBondContact O-N 3.22Å; I302-R304 VanDerWaalsContact C-N 3.31Å; I302-R304 PolarHBondContact O-N 3.2Å; I302-E305 PolarHBondContact O-N 2.95Å; I302-A306 WeakPolarHBondContact O-CB 3.03Å; I302-A306 PolarHBondContact O-N 3.24Å; I302-F547 HydrophobicContact CB-CD1 4.14Å; I302-F547 HydrophobicContact CB-CE1 3.79Å; I302-F547 HydrophobicContact CB-CZ 4.35Å; I302-F547 HydrophobicContact CD1-CE1 4.43Å; I302-F547 HydrophobicContact CD1-CE2 4.36Å; I302-F547 HydrophobicContact CD1-CZ 4.27Å; I302-F547 HydrophobicContact CG2-CD1 3.34Å; I302-F547 HydrophobicContact CG2-CE1 3.54Å; I302-F547 HydrophobicContact CG2-CG 4.01Å; I302-F547 HydrophobicContact CG2-CZ 4.38Å; I302-R560 HydrophobicContact CD1-CG 4.03Å; I302-W563 HydrophobicContact CD1-CB 3.96Å; I302-W563 HydrophobicContact CD1-CG 3.73Å; I302-W563 HydrophobicContact CG1-CG 4.48Å; I302-W563 HydrophobicContact CG2-CD2 4.39Å; I302-W563 HydrophobicContact CG2-CG 4.48Å; I302-P577 HydrophobicContact CG2-CB 3.38Å; I302-P577 HydrophobicContact CG2-CG 3.58Å
303	E	86.6	Confident	68.7	Low	50 Å²	50	84 Å²	84	23%	0.234	42%	0.42	C	S	.	.	H	α-helix	trans	-67.5	-29.4	176.5	-55.8	77	-169.2	0	0	112.5	S301 R307 F547 R560 M579	S301-E303 PolarHBondContact O-N 3.29Å; S301-E303 VanDerWaalsContact O-N 3.13Å; S301-E303 PolarHBondContact OG-N 3.43Å; S301-E303 PolarHBondContact OG-OE2 3.14Å; E303-R307 WeakPolarHBondContact O-CB 3.42Å; E303-R307 VanDerWaalsContact O-CG 3.3Å; E303-R307 WeakPolarHBondContact O-CG 3.4Å; E303-R307 PolarHBondContact O-N 3.24Å; E303-R307 PolarHBondContact O-NE 3.01Å; E303-R307 PolarHBondContact O-NH2 2.83Å; E303-F547 HydrophobicContact CG-CE1 4.27Å; E303-F547 WeakPolarHBondContact OE1-CZ 3.43Å; E303-R560 IonicContact OE1-CZ 3.81Å; E303-R560 IonicContact OE1-NH1 3.72Å; E303-R560 PolarHBondContact OE1-NH1 2.75Å; E303-R560 IonicContact OE2-CZ 3.99Å; E303-R560 IonicContact OE2-NH1 3.78Å; E303-R560 PolarHBondContact OE2-NH1 3.27Å; E303-M579 HydrophobicContact CB-SD 4.37Å; E303-M579 HydrophobicContact CG-CE 4.28Å; E303-M579 HydrophobicContact CG-SD 4.13Å
304	R	85.5	Confident	71	Confident	95 Å²	95	80.1 Å²	80.1	36%	0.358	41%	0.412	S	S	.	.	H	α-helix	trans	-67.1	-50.1	173.3	-170.4	-166.9	-62.2	-149.8	1.1	109.9	K297 D298 S301 I302 R307 L308	K297-R304 PolarHBondContact O-NH2 2.9Å; D298-R304 VanDerWaalsContact C-NH2 3.32Å; D298-R304 PolarHBondContact O-NH2 2.95Å; S301-R304 WeakPolarHBondContact O-CA 3.44Å; S301-R304 WeakPolarHBondContact O-CB 3.43Å; S301-R304 PolarHBondContact O-N 2.92Å; S301-R304 PolarHBondContact OG-N 2.92Å; I302-R304 VanDerWaalsContact C-N 3.31Å; I302-R304 PolarHBondContact O-N 3.2Å; R304-R307 WeakPolarHBondContact O-CB 3.34Å; R304-R307 PolarHBondContact O-N 3.17Å; R304-R307 VanDerWaalsContact O-N 3.13Å; R304-L308 HydrophobicContact CG-CD1 4.33Å; R304-L308 WeakPolarHBondContact O-CG 3.38Å; R304-L308 PolarHBondContact O-N 3.43Å
305	E	86.1	Confident	73.2	Confident	72 Å²	72	78.2 Å²	78.2	34%	0.336	41%	0.412	S	S	.	.	H	α-helix	trans	-58.6	-49.1	177.6	-66.3	168.7	178.6	0	0	111.1	S301 I302 R307 L308 H309 P577	S301-E305 PolarHBondContact O-N 3.47Å; I302-E305 PolarHBondContact O-N 2.95Å; E305-R307 PolarHBondContact O-N 3.5Å; E305-L308 PolarHBondContact O-N 3.15Å; E305-L308 VanDerWaalsContact O-N 3.1Å; E305-H309 PolarHBondContact O-N 3.11Å; E305-P577 HydrophobicContact CB-CG 3.58Å; E305-P577 WeakPolarHBondContact OE2-CG 3.39Å
306	A	84.7	Confident	75.7	Confident	3 Å²	3	77.8 Å²	77.8	3%	0.025	40%	0.399	C	S	.	.	H	α-helix	trans	-66.3	-17.5	177.7	0	0	0	0	0	114.5	I302 R310 P577 M579	I302-A306 WeakPolarHBondContact O-CB 3.03Å; I302-A306 PolarHBondContact O-N 3.24Å; A306-R310 PolarHBondContact O-NE 3.28Å; A306-P577 WeakPolarHBondContact CA-O 3.12Å; A306-P577 HydrophobicContact CB-CB 4.41Å; A306-P577 HydrophobicContact CB-CG 4.35Å; A306-P577 WeakPolarHBondContact CB-O 3.27Å; A306-M579 HydrophobicContact CB-CB 3.93Å; A306-M579 HydrophobicContact CB-CG 3.51Å; A306-M579 HydrophobicContact CB-SD 3.65Å
307	R	84.8	Confident	78.1	Confident	139 Å²	139	78.9 Å²	78.9	53%	0.525	39%	0.393	S	S	.	.	H	α-helix	trans	-82.9	-43.4	168.9	-81.3	173.4	-71.1	-162.1	-2.3	111.5	E303 R304 E305 H309 R310	E303-R307 WeakPolarHBondContact O-CB 3.42Å; E303-R307 VanDerWaalsContact O-CG 3.3Å; E303-R307 WeakPolarHBondContact O-CG 3.4Å; E303-R307 PolarHBondContact O-N 3.24Å; E303-R307 PolarHBondContact O-NE 3.01Å; E303-R307 PolarHBondContact O-NH2 2.83Å; R304-R307 WeakPolarHBondContact O-CB 3.34Å; R304-R307 PolarHBondContact O-N 3.17Å; R304-R307 VanDerWaalsContact O-N 3.13Å; E305-R307 PolarHBondContact O-N 3.5Å; R307-H309 VanDerWaalsContact C-N 3.3Å; R307-H309 PolarHBondContact O-N 2.91Å; R307-R310 WeakPolarHBondContact O-CB 3.33Å; R307-R310 PolarHBondContact O-N 3.38Å
308	L	85.1	Confident	80.3	Confident	106 Å²	106	72.6 Å²	72.6	56%	0.555	37%	0.371	S	S	*	.	H	α-helix	trans	-61.4	-38.3	175.6	-68.8	170.4	0	0	0	111.6	R304 E305 R310 Q311 A312	R304-L308 HydrophobicContact CG-CD1 4.33Å; R304-L308 WeakPolarHBondContact O-CG 3.38Å; R304-L308 PolarHBondContact O-N 3.43Å; E305-L308 PolarHBondContact O-N 3.15Å; E305-L308 VanDerWaalsContact O-N 3.1Å; L308-R310 PolarHBondContact O-N 3.43Å; L308-R310 VanDerWaalsContact O-N 3.08Å; L308-Q311 PolarHBondContact O-N 3.4Å; L308-A312 PolarHBondContact O-N 3.24Å
309	H	86.3	Confident	82.4	Confident	31 Å²	31	74 Å²	74	14%	0.144	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-57.9	-24.1	176.3	-167.6	80.6	0	0	0	113.6	E305 R307 Q311 A312 Q527 D529 R550 L578	E305-H309 PolarHBondContact O-N 3.11Å; R307-H309 VanDerWaalsContact C-N 3.3Å; R307-H309 PolarHBondContact O-N 2.91Å; H309-Q311 VanDerWaalsContact C-N 3.26Å; H309-Q311 PolarHBondContact O-N 2.83Å; H309-A312 WeakPolarHBondContact O-CB 3.17Å; H309-A312 PolarHBondContact O-N 3.47Å; H309-Q527 PolarHBondContact CD2-NE2 3.5Å; H309-Q527 VanDerWaalsContact CD2-NE2 3.31Å; H309-Q527 PolarHBondContact NE2-NE2 2.95Å; H309-Q527 PolarHBondContact O-NE2 2.73Å; H309-Q527 PolarHBondContact O-OE1 3.44Å; H309-D529 IonicContact NE2-OD1 3.25Å; H309-D529 PolarHBondContact NE2-OD1 3.45Å; H309-D529 IonicContact NE2-OD2 2.72Å; H309-D529 PolarHBondContact NE2-OD2 2.89Å; H309-D529 VanDerWaalsContact NE2-OD2 3.1Å; H309-R550 PolarHBondContact CE1-NH1 3.47Å; H309-R550 PolarHBondContact NE2-NH1 3.01Å; H309-L578 WeakPolarHBondContact CD2-CD2 3.31Å
310	R	84.6	Confident	84.5	Confident	104 Å²	104	71.8 Å²	71.8	39%	0.392	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-76	-13.9	177.1	-58.8	169.3	-174.6	-176.7	-6.4	113.5	A306 R307 L308 M579 R580 N581	A306-R310 PolarHBondContact O-NE 3.28Å; R307-R310 WeakPolarHBondContact O-CB 3.33Å; R307-R310 PolarHBondContact O-N 3.38Å; L308-R310 PolarHBondContact O-N 3.43Å; L308-R310 VanDerWaalsContact O-N 3.08Å; R310-M579 PolarHBondContact NH2-O 3.18Å; R310-R580 PolarHBondContact NH2-O 2.85Å; R310-N581 PolarHBondContact NH1-OD1 3.11Å
311	Q	82.9	Confident	86.3	Confident	132 Å²	132	67.8 Å²	67.8	62%	0.617	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-104.4	-0.1	175.8	-60.2	-179	-3.5	0	0	111.6	L308 H309 A313 A314	L308-Q311 PolarHBondContact O-N 3.4Å; H309-Q311 VanDerWaalsContact C-N 3.26Å; H309-Q311 PolarHBondContact O-N 2.83Å; Q311-A313 PolarHBondContact O-N 3.02Å; Q311-A313 VanDerWaalsContact O-N 3.15Å; Q311-A314 WeakPolarHBondContact O-CB 3.48Å; Q311-A314 PolarHBondContact O-N 3.07Å
312	A	83.8	Confident	87.1	Confident	6 Å²	6	68.1 Å²	68.1	5%	0.05	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-57.6	-33.8	-171.9	0	0	0	0	0	113.5	L308 H309 A314 V315 N316 F514	L308-A312 PolarHBondContact O-N 3.24Å; H309-A312 WeakPolarHBondContact O-CB 3.17Å; H309-A312 PolarHBondContact O-N 3.47Å; A312-A314 PolarHBondContact O-N 3.46Å; A312-V315 PolarHBondContact O-N 3.16Å; A312-N316 WeakPolarHBondContact CB-ND2 3.37Å; A312-N316 WeakPolarHBondContact O-CB 3.48Å; A312-N316 PolarHBondContact O-N 3.44Å; A312-N316 PolarHBondContact O-ND2 3.27Å; A312-F514 HydrophobicContact CB-CE1 3.92Å; A312-F514 HydrophobicContact CB-CZ 3.63Å
313	A	80.6	Confident	87.7	Confident	15 Å²	15	72.3 Å²	72.3	12%	0.124	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-54.1	-22.9	174.9	0	0	0	0	0	115.3	Q311 A458 F514 Q527	Q311-A313 PolarHBondContact O-N 3.02Å; Q311-A313 VanDerWaalsContact O-N 3.15Å; A313-A458 HydrophobicContact CB-CB 3.99Å; A313-F514 HydrophobicContact CB-CD1 4.48Å; A313-F514 HydrophobicContact CB-CE1 4.44Å; A313-Q527 HydrophobicContact CB-CB 4.04Å
314	A	81.2	Confident	87.9	Confident	87 Å²	87	71.3 Å²	71.3	72%	0.719	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-86.7	-16.1	180	0	0	0	0	0	113.9	Q311 A312	Q311-A314 WeakPolarHBondContact O-CB 3.48Å; Q311-A314 PolarHBondContact O-N 3.07Å; A312-A314 PolarHBondContact O-N 3.46Å
315	V	83.8	Confident	88	Confident	122 Å²	122	74 Å²	74	74%	0.739	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.9	-15.5	-171.1	-60.7	0	0	0	0	114.6	A312	A312-V315 PolarHBondContact O-N 3.16Å
316	N	87.9	Confident	88.1	Confident	67 Å²	67	72.8 Å²	72.8	36%	0.358	40%	0.4	S	S	.	.	S	Bend	trans	-91.7	155.8	176.9	-74.5	-99.5	0	0	0	111.4	A312 F514 K525	A312-N316 WeakPolarHBondContact CB-ND2 3.37Å; A312-N316 WeakPolarHBondContact O-CB 3.48Å; A312-N316 PolarHBondContact O-N 3.44Å; A312-N316 PolarHBondContact O-ND2 3.27Å; N316-F514 HydrophobicContact CB-CD1 4.47Å; N316-F514 HydrophobicContact CB-CD2 3.63Å; N316-F514 HydrophobicContact CB-CE1 4.25Å; N316-F514 HydrophobicContact CB-CE2 3.36Å; N316-F514 HydrophobicContact CB-CG 4.2Å; N316-F514 HydrophobicContact CB-CZ 3.72Å; N316-K525 WeakPolarHBondContact O-CD 2.89Å; N316-K525 PolarHBondContact O-NZ 2.86Å
317	E	89.1	Confident	88.2	Confident	148 Å²	148	74.5 Å²	74.5	69%	0.692	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-83.1	155.2	172.8	-78.6	-49.3	138.6	0	0	114.7	F514 K525	E317-F514 WeakPolarHBondContact O-CB 3.45Å; E317-K525 IonicContact OE1-NZ 2.74Å; E317-K525 PolarHBondContact OE1-NZ 3.3Å; E317-K525 IonicContact OE2-NZ 2.9Å; E317-K525 PolarHBondContact OE2-NZ 2.95Å
318	A	90.4	Very high	88	Confident	27 Å²	27	72.2 Å²	72.2	22%	0.223	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-80.9	125.4	178.9	0	0	0	0	0	110.6	C320 E516 K525	A318-C320 VanDerWaalsContact C-N 3.32Å; A318-E516 HydrophobicContact CB-CB 3.7Å; A318-K525 HydrophobicContact CB-CD 4.2Å; A318-K525 HydrophobicContact CB-CG 4.25Å
319	T	92.6	Very high	87.9	Confident	98 Å²	98	69.1 Å²	69.1	60%	0.601	39%	0.394	S	S	*	.	S	Bend	trans	-77.1	-23.8	177.9	-48.7	0	0	0	0	111.7	A512 F514	T319-A512 WeakPolarHBondContact CB-O 3.13Å; T319-A512 PolarHBondContact OG1-O 2.76Å; T319-F514 PolarHBondContact N-O 2.81Å
320	C	94.1	Very high	87.5	Confident	36 Å²	36	74.5 Å²	74.5	24%	0.243	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	156.9	166.8	60.9	0	0	0	0	112.3	A318 V515 E516	A318-C320 VanDerWaalsContact C-N 3.32Å; C320-V515 WeakPolarHBondContact O-CA 3.4Å; C320-E516 PolarHBondContact O-N 2.84Å
321	T	96.9	Very high	87.4	Confident	65 Å²	65	73.6 Å²	73.6	40%	0.399	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.1	177	-59.2	0	0	0	0	109.2	E516 K518	T321-E516 CarbonylContact C-O 3.53Å; T321-E516 WeakPolarHBondContact CA-O 3.39Å; T321-E516 HydrophobicContact CG2-CB 4.22Å; T321-E516 HydrophobicContact CG2-CG 4.39Å; T321-E516 WeakPolarHBondContact CG2-OE2 3.38Å; T321-E516 PolarHBondContact OG1-OE2 2.86Å; T321-K518 HydrophobicContact CG2-CD 3.87Å; T321-K518 HydrophobicContact CG2-CG 4.2Å
322	W	97.5	Very high	87.2	Confident	25 Å²	25	77 Å²	77	10%	0.095	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	139.4	164	-177.5	87.2	0	0	0	109.5	L326 I471 D474 L475 E516 I517 K518 T519	W322-L326 HydrophobicContact CH2-CD2 4.12Å; W322-L326 HydrophobicContact CZ3-CD2 4.03Å; W322-I471 HydrophobicContact CB-CG2 4.04Å; W322-I471 HydrophobicContact CD2-CB 4.35Å; W322-I471 HydrophobicContact CD2-CG1 3.77Å; W322-I471 HydrophobicContact CD2-CG2 4.07Å; W322-I471 HydrophobicContact CE3-CD1 4.09Å; W322-I471 HydrophobicContact CE3-CG1 3.81Å; W322-I471 HydrophobicContact CE3-CG2 4.49Å; W322-I471 HydrophobicContact CG-CG1 4.43Å; W322-I471 HydrophobicContact CG-CG2 3.86Å; W322-I471 HydrophobicContact CH2-CD1 4.45Å; W322-I471 HydrophobicContact CH2-CG1 3.96Å; W322-I471 HydrophobicContact CZ2-CG1 3.95Å; W322-I471 HydrophobicContact CZ3-CD1 4.05Å; W322-I471 HydrophobicContact CZ3-CG1 3.89Å; W322-D474 PolarHBondContact NE1-OD2 2.82Å; W322-L475 HydrophobicContact CB-CD1 4.05Å; W322-L475 HydrophobicContact CB-CD2 4.15Å; W322-L475 HydrophobicContact CB-CG 4.18Å; W322-E516 PolarHBondContact N-O 3.06Å; W322-I517 HydrophobicContact CE3-CG2 4.1Å; W322-I517 HydrophobicContact CZ3-CG2 4.42Å; W322-K518 PolarHBondContact O-N 3.05Å; W322-T519 HydrophobicContact CZ3-CG2 4.26Å
323	S	96.4	Very high	87.2	Confident	90 Å²	90	84.1 Å²	84.1	63%	0.629	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138	122.8	179.8	57.6	0	0	0	0	111.3	K518	S323-K518 WeakPolarHBondContact CA-O 3.3Å
324	G	91.6	Very high	87.6	Confident	30 Å²	30	85 Å²	85	31%	0.309	48%	0.475	S	S	.	.			trans	179.1	-177.9	179.1	0	0	0	0	0	114.2	K518	G324-K518 PolarHBondContact N-O 2.8Å; G324-K518 VanDerWaalsContact N-O 3.16Å
325	Q	88.6	Confident	88.3	Confident	151 Å²	151	85.3 Å²	85.3	71%	0.706	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-85.5	145.1	168	-70.5	175.2	-37.9	0	0	109.7
326	L	87.5	Confident	88.9	Confident	47 Å²	47	80.5 Å²	80.5	25%	0.246	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-79.1	154.4	175.7	-57.1	-172.1	0	0	0	110.6	W322 L463 A467 I471 T519 F522	W322-L326 HydrophobicContact CH2-CD2 4.12Å; W322-L326 HydrophobicContact CZ3-CD2 4.03Å; L326-L463 HydrophobicContact CD1-CD2 4.2Å; L326-L463 HydrophobicContact CD2-CD2 4.29Å; L326-A467 HydrophobicContact CB-CB 4.48Å; L326-A467 HydrophobicContact CD1-CB 4.41Å; L326-A467 HydrophobicContact CD2-CB 4.22Å; L326-I471 HydrophobicContact CD2-CD1 4.02Å; L326-T519 HydrophobicContact CD1-CG2 4.44Å; L326-T519 HydrophobicContact CD2-CG2 3.75Å; L326-T519 HydrophobicContact CG-CG2 3.97Å; L326-F522 HydrophobicContact CD1-CE1 4.07Å; L326-F522 HydrophobicContact CD1-CZ 4.41Å
327	P	86.1	Confident	89.3	Confident	38 Å²	38	77.4 Å²	77.4	25%	0.247	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-53.4	133.2	174.7	-27.7	36.1	0	0	0	112.7	R329 E466 A470	P327-R329 PolarHBondContact O-N 2.88Å; P327-E466 HydrophobicContact CB-CG 4.32Å; P327-E466 HydrophobicContact CG-CG 4.32Å; P327-A470 HydrophobicContact CG-CB 4.21Å
328	P	81.2	Confident	89.7	Confident	91 Å²	91	71.9 Å²	71.9	59%	0.591	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-72.9	125.5	-175.9	28.9	-34.8	0	0	0	111.5	N330	P328-N330 PolarHBondContact O-N 2.84Å; P328-N330 PolarHBondContact O-ND2 3.5Å
329	R	82.7	Confident	90	Very high	41 Å²	41	71.7 Å²	71.7	16%	0.155	39%	0.388	C	S	.	.			trans	-85.3	107.5	-168.9	-52.3	-159.7	-161.5	172.8	8.5	112.4	P327 Y331 L411 D437 M462	P327-R329 PolarHBondContact O-N 2.88Å; R329-Y331 HydrophobicContact CB-CE1 4.4Å; R329-Y331 HydrophobicContact CB-CE2 4.03Å; R329-Y331 WeakPolarHBondContact CD-OH 3.49Å; R329-Y331 PolarHBondContact NH1-OH 2.95Å; R329-L411 HydrophobicContact CG-CD1 4.46Å; R329-D437 IonicContact CZ-OD2 3.22Å; R329-D437 IonicContact NH1-OD1 3.74Å; R329-D437 IonicContact NH1-OD2 3.9Å; R329-D437 PolarHBondContact NH1-OD2 3.37Å; R329-M462 PolarHBondContact NH2-O 3.27Å
330	N	78.4	Confident	90.1	Very high	144 Å²	144	67 Å²	67	77%	0.77	36%	0.359	S	S	*	.			trans	-114.1	92.3	-174.9	-75.9	-85.3	0	0	0	111.9	P328	P328-N330 PolarHBondContact O-N 2.84Å; P328-N330 PolarHBondContact O-ND2 3.5Å
331	Y	82.4	Confident	90.2	Very high	86 Å²	86	67.3 Å²	67.3	34%	0.337	36%	0.357	S	S	.	.			trans	-92.9	133.3	-178	-46.7	-66.4	0	0	0	113.3	R329 P334 V434 D437	R329-Y331 HydrophobicContact CB-CE1 4.4Å; R329-Y331 HydrophobicContact CB-CE2 4.03Å; R329-Y331 WeakPolarHBondContact CD-OH 3.49Å; R329-Y331 PolarHBondContact NH1-OH 2.95Å; Y331-P334 HydrophobicContact CG-CB 4.39Å; Y331-V434 HydrophobicContact CD1-CG1 3.96Å; Y331-V434 HydrophobicContact CD2-CG2 4.33Å; Y331-V434 HydrophobicContact CE1-CB 4.05Å; Y331-V434 HydrophobicContact CE1-CG1 3.83Å; Y331-V434 HydrophobicContact CE1-CG2 4.11Å; Y331-V434 HydrophobicContact CE2-CG2 3.88Å; Y331-D437 PolarHBondContact OH-OD1 2.94Å; Y331-D437 PolarHBondContact OH-OD2 3.05Å
332	K	78.1	Confident	90	Very high	204 Å²	204	64.2 Å²	64.2	89%	0.887	34%	0.338	S	S	*	.	S	Bend	trans	-103.7	116.6	164	-63.9	-178.8	-179	-179.9	0	108.3
333	N	83.7	Confident	89.8	Confident	155 Å²	155	63.3 Å²	63.3	83%	0.829	34%	0.336	S	S	*	.	S	Bend	trans	48.3	65.3	-178	-63.3	-7.8	0	0	0	114.4
334	P	90.4	Very high	89.6	Confident	32 Å²	32	60.9 Å²	60.9	21%	0.208	33%	0.325	C	S	.	.			trans	-58.5	146.3	-178.4	23.4	-33.4	0	0	0	113.8	Y331 Y336 R395 V434	Y331-P334 HydrophobicContact CG-CB 4.39Å; P334-Y336 HydrophobicContact CB-CE1 4.23Å; P334-Y336 HydrophobicContact CB-CE2 4.2Å; P334-Y336 HydrophobicContact CG-CE1 4.48Å; P334-Y336 HydrophobicContact CG-CE2 4.05Å; P334-Y336 VanDerWaalsContact CG-OH 3.31Å; P334-Y336 WeakPolarHBondContact CG-OH 3.33Å; P334-R395 PolarHBondContact O-NE 2.77Å; P334-R395 PolarHBondContact O-NH2 2.96Å; P334-V434 HydrophobicContact CB-CG1 4.04Å; P334-V434 HydrophobicContact CB-CG2 4.22Å
335	I	94.5	Very high	89.6	Confident	95 Å²	95	59.6 Å²	59.6	49%	0.487	31%	0.311	S	S	.	.			trans	-112.1	127.8	168.7	-51.5	176.6	0	0	0	107	E391 L435	I335-E391 WeakPolarHBondContact CA-OE1 3.49Å; I335-E391 HydrophobicContact CG2-CG 4.14Å; I335-L435 HydrophobicContact CG2-CD1 3.85Å; I335-L435 HydrophobicContact CG2-CG 4.48Å; I335-L435 PolarHBondContact O-N 2.81Å
336	Y	95.8	Very high	89.6	Confident	21 Å²	21	52.4 Å²	52.4	8%	0.082	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	161.8	-173	-61.7	-76.2	0	0	0	113	P334 E391 V394 R395 L398 P432 W433 V434	P334-Y336 HydrophobicContact CB-CE1 4.23Å; P334-Y336 HydrophobicContact CB-CE2 4.2Å; P334-Y336 HydrophobicContact CG-CE1 4.48Å; P334-Y336 HydrophobicContact CG-CE2 4.05Å; P334-Y336 VanDerWaalsContact CG-OH 3.31Å; P334-Y336 WeakPolarHBondContact CG-OH 3.33Å; Y336-E391 PolarHBondContact N-OE1 3Å; Y336-E391 WeakPolarHBondContact O-CG 3.36Å; Y336-V394 HydrophobicContact CD2-CG1 4.32Å; Y336-V394 HydrophobicContact CG-CG1 4.05Å; Y336-R395 HydrophobicContact CD2-CG 3.97Å; Y336-R395 HydrophobicContact CE2-CG 4.02Å; Y336-L398 HydrophobicContact CD1-CD1 4.32Å; Y336-L398 HydrophobicContact CD2-CD1 4.15Å; Y336-L398 HydrophobicContact CE1-CD1 3.85Å; Y336-L398 HydrophobicContact CE2-CD1 3.67Å; Y336-L398 HydrophobicContact CG-CD1 4.44Å; Y336-L398 VanDerWaalsContact CZ-CD1 3.49Å; Y336-P432 HydrophobicContact CD1-CB 3.69Å; Y336-P432 HydrophobicContact CD1-CG 4.24Å; Y336-P432 HydrophobicContact CE1-CB 3.9Å; Y336-P432 HydrophobicContact CE1-CG 3.93Å; Y336-P432 HydrophobicContact CG-CB 4.5Å; Y336-W433 CarbonylContact C-O 3.54Å; Y336-W433 VanDerWaalsContact CA-O 3.23Å; Y336-W433 WeakPolarHBondContact CA-O 3.19Å; Y336-V434 HydrophobicContact CD1-CG2 3.88Å; Y336-V434 HydrophobicContact CE1-CG2 3.62Å
337	S	97.1	Very high	89.6	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.014	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	147.2	155.8	176.9	0	0	0	0	109.1	K339 W433 H489	S337-K339 PolarHBondContact O-N 3.29Å; S337-K339 PolarHBondContact OG-N 2.87Å; S337-K339 VanDerWaalsContact OG-N 3.09Å; S337-W433 PolarHBondContact N-O 3.47Å; S337-H489 PolarHBondContact OG-O 2.92Å
338	C	97.4	Very high	89.6	Confident	32 Å²	32	55.7 Å²	55.7	22%	0.216	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	-13	169.8	-56.6	0	0	0	0	112.8	F388	C338-F388 VanDerWaalsContact CB-O 3.22Å; C338-F388 WeakPolarHBondContact CB-O 3.25Å; C338-F388 PolarHBondContact O-N 3.34Å
339	K	96.8	Very high	90	Very high	22 Å²	22	51.8 Å²	51.8	10%	0.096	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	136.8	176.1	-179.1	162.5	171.9	172.2	0	110.2	S337 E367 Y385 L386 V387 D487 H489 Y491	S337-K339 PolarHBondContact O-N 3.29Å; S337-K339 PolarHBondContact OG-N 2.87Å; S337-K339 VanDerWaalsContact OG-N 3.09Å; K339-E367 VanDerWaalsContact CE-OE2 3.28Å; K339-E367 WeakPolarHBondContact CE-OE2 3.15Å; K339-E367 IonicContact NZ-OE2 2.66Å; K339-E367 PolarHBondContact NZ-OE2 3.26Å; K339-Y385 HydrophobicContact CG-CD1 4.47Å; K339-L386 CarbonylContact C-O 3.42Å; K339-L386 VanDerWaalsContact CA-O 3.3Å; K339-L386 WeakPolarHBondContact CA-O 3.45Å; K339-V387 HydrophobicContact CB-CG2 4.18Å; K339-V387 HydrophobicContact CD-CG2 3.88Å; K339-V387 HydrophobicContact CG-CG2 3.9Å; K339-D487 WeakPolarHBondContact CD-OD2 3.35Å; K339-D487 IonicContact NZ-OD2 3.7Å; K339-D487 PolarHBondContact NZ-OD2 3.11Å; K339-H489 HydrophobicContact CB-CB 3.91Å; K339-H489 HydrophobicContact CD-CB 4.34Å; K339-Y491 HydrophobicContact CB-CD2 3.76Å; K339-Y491 HydrophobicContact CB-CG 4.03Å; K339-Y491 HydrophobicContact CD-CD1 4.42Å; K339-Y491 HydrophobicContact CD-CD2 4.48Å; K339-Y491 HydrophobicContact CD-CG 3.97Å; K339-Y491 HydrophobicContact CG-CD1 4.35Å; K339-Y491 HydrophobicContact CG-CD2 3.75Å; K339-Y491 HydrophobicContact CG-CE2 4.37Å; K339-Y491 HydrophobicContact CG-CG 3.74Å; K339-Y491 WeakPolarHBondContact O-CD2 3.49Å; K339-Y491 WeakPolarHBondContact O-CE2 3.33Å
340	V	95.7	Very high	90.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	134.4	-172.1	-176.9	0	0	0	0	108.7	Y385 L386 V394 V430	V340-Y385 CarbonylContact O-C 3.58Å; V340-Y385 VanDerWaalsContact O-CA 3.28Å; V340-Y385 WeakPolarHBondContact O-CA 3.27Å; V340-L386 PolarHBondContact N-O 2.74Å; V340-L386 PolarHBondContact O-N 3.36Å; V340-V394 HydrophobicContact CG2-CB 4.3Å; V340-V394 HydrophobicContact CG2-CG1 3.67Å; V340-V394 HydrophobicContact CG2-CG2 3.66Å; V340-V430 HydrophobicContact CG1-CG1 3.64Å
341	F	94.8	Very high	91	Very high	43 Å²	43	48.1 Å²	48.1	19%	0.189	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	138.3	173.3	170.1	-85.3	0	0	0	110.2	Y383 Y385 I431 Y491	F341-Y383 HydrophobicContact CD2-CD2 4.25Å; F341-Y383 AromaticContact CE2-CD2 3.5Å; F341-Y383 HydrophobicContact CE2-CD2 3.5Å; F341-Y383 VanDerWaalsContact CE2-CD2 3.5Å; F341-Y383 HydrophobicContact CE2-CE2 4.26Å; F341-Y383 AromaticContact CE2-CG 3.78Å; F341-Y383 HydrophobicContact CE2-CG 3.78Å; F341-Y383 HydrophobicContact CZ-CD2 4.3Å; F341-Y383 HydrophobicContact CZ-CG 4.12Å; F341-Y385 HydrophobicContact CB-CD1 4.05Å; F341-Y385 HydrophobicContact CB-CE1 3.98Å; F341-Y385 HydrophobicContact CD2-CD1 4.33Å; F341-Y385 AromaticContact CD2-CE1 3.77Å; F341-Y385 HydrophobicContact CD2-CE1 3.77Å; F341-Y385 HydrophobicContact CG-CE1 4.38Å; F341-I431 HydrophobicContact CB-CB 4.25Å; F341-I431 HydrophobicContact CD1-CB 4.01Å; F341-I431 HydrophobicContact CD1-CD1 3.79Å; F341-I431 HydrophobicContact CD1-CG1 3.94Å; F341-I431 HydrophobicContact CE1-CD1 3.98Å; F341-I431 PolarHBondContact N-O 2.72Å; F341-I431 PolarHBondContact O-N 2.71Å; F341-Y491 VanDerWaalsContact CB-OH 3.27Å; F341-Y491 WeakPolarHBondContact CB-OH 3.45Å
342	L	94.3	Very high	91.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	100.7	179.6	-168.6	72.2	0	0	0	109.4	V345 L354 F358 Y383 V384 L386 V428 Q429 V430	L342-V345 HydrophobicContact CB-CG1 4.41Å; L342-V345 HydrophobicContact CD2-CG1 3.58Å; L342-V345 HydrophobicContact CG-CG1 3.72Å; L342-L354 HydrophobicContact CD2-CD2 3.84Å; L342-F358 HydrophobicContact CD1-CZ 4.18Å; L342-F358 HydrophobicContact CD2-CE2 3.57Å; L342-F358 HydrophobicContact CD2-CZ 3.82Å; L342-Y383 VanDerWaalsContact O-CA 3.3Å; L342-Y383 WeakPolarHBondContact O-CA 3.39Å; L342-V384 HydrophobicContact CB-CG2 3.79Å; L342-V384 HydrophobicContact CD2-CG2 3.89Å; L342-V384 HydrophobicContact CG-CG2 4.35Å; L342-V384 PolarHBondContact N-O 2.79Å; L342-V384 PolarHBondContact O-N 3.22Å; L342-L386 HydrophobicContact CD2-CD1 4.31Å; L342-L386 HydrophobicContact CD2-CD2 4.31Å; L342-L386 HydrophobicContact CD2-CG 4.39Å; L342-V428 HydrophobicContact CD1-CB 4.22Å; L342-V428 HydrophobicContact CD1-CG2 3.68Å; L342-V428 HydrophobicContact CG-CB 4.44Å; L342-V428 HydrophobicContact CG-CG2 4.23Å; L342-Q429 CarbonylContact C-O 3.57Å; L342-Q429 WeakPolarHBondContact CA-O 3.4Å; L342-V430 HydrophobicContact CD1-CG2 3.74Å
343	G	92.7	Very high	92.1	Very high	6 Å²	6	38.5 Å²	38.5	6%	0.062	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	149.4	-176.7	0	0	0	0	0	113.4	V345 V428 Q429	G343-V345 PolarHBondContact O-N 2.84Å; G343-V428 CarbonylContact O-C 3.51Å; G343-V428 WeakPolarHBondContact O-CA 3.48Å; G343-Q429 PolarHBondContact N-O 3.16Å; G343-Q429 PolarHBondContact O-N 2.91Å
344	G	91.3	Very high	92.6	Very high	39 Å²	39	31.1 Å²	31.1	40%	0.402	18%	0.178	S	C	.	.	S	Bend	trans	72.4	23.9	173	0	0	0	0	0	114.9	G382 K426	G344-G382 CarbonylContact C-O 3.54Å; G344-G382 WeakPolarHBondContact CA-O 3.36Å; G344-G382 PolarHBondContact N-O 2.8Å; G344-K426 WeakPolarHBondContact O-CD 3.19Å; G344-K426 WeakPolarHBondContact O-CE 3.43Å; G344-K426 PolarHBondContact O-NZ 3.29Å
345	V	91.8	Very high	92.8	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	18%	0.179	C	C	.	.			trans	-58.9	157.4	-178.7	-63.3	0	0	0	0	113.2	L342 G343 W347 I349 L354 P379 G382 V384 K426 V428	L342-V345 HydrophobicContact CB-CG1 4.41Å; L342-V345 HydrophobicContact CD2-CG1 3.58Å; L342-V345 HydrophobicContact CG-CG1 3.72Å; G343-V345 PolarHBondContact O-N 2.84Å; V345-W347 PolarHBondContact O-N 3.23Å; V345-I349 HydrophobicContact CB-CG2 4.32Å; V345-I349 HydrophobicContact CG2-CG2 4.3Å; V345-L354 HydrophobicContact CG1-CD2 4.48Å; V345-P379 HydrophobicContact CG2-CB 4.4Å; V345-P379 HydrophobicContact CG2-CG 3.75Å; V345-G382 WeakPolarHBondContact CG2-O 3.3Å; V345-G382 PolarHBondContact N-O 3.01Å; V345-V384 HydrophobicContact CG1-CG2 4.19Å; V345-V384 HydrophobicContact CG2-CG1 4.35Å; V345-K426 PolarHBondContact O-NZ 2.92Å; V345-V428 HydrophobicContact CG1-CG1 4.29Å
346	P	90.3	Very high	92.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.18	C	C	.	.			trans	-61.7	135.1	171.5	-21	32.8	0	0	0	111.2	D348 I349 M418 S420 M423 K426	P346-D348 PolarHBondContact O-N 3.02Å; P346-I349 HydrophobicContact CB-CB 4.34Å; P346-I349 WeakPolarHBondContact O-CB 3.44Å; P346-I349 WeakPolarHBondContact O-CG2 3.36Å; P346-I349 PolarHBondContact O-N 2.92Å; P346-M418 HydrophobicContact CG-CG 4.35Å; P346-M418 HydrophobicContact CG-SD 4.48Å; P346-S420 WeakPolarHBondContact CB-OG 3.45Å; P346-M423 HydrophobicContact CB-CB 4.18Å; P346-M423 HydrophobicContact CB-CG 4.26Å; P346-M423 HydrophobicContact CB-SD 4Å; P346-K426 HydrophobicContact CB-CD 4.47Å; P346-K426 HydrophobicContact CG-CB 4.3Å; P346-K426 HydrophobicContact CG-CD 3.98Å
347	W	86	Confident	92.8	Very high	149 Å²	149	32.1 Å²	32.1	56%	0.564	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-20.4	-175.6	61.4	-96.3	0	0	0	113.7	V345	V345-W347 PolarHBondContact O-N 3.23Å
348	D	87	Confident	92.8	Very high	6 Å²	6	32 Å²	32	3%	0.032	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	5	177.8	72.2	-57.8	0	0	0	113.9	P346 S420 R421 R422	P346-D348 PolarHBondContact O-N 3.02Å; D348-S420 WeakPolarHBondContact OD1-CB 3.21Å; D348-S420 PolarHBondContact OD1-OG 3.12Å; D348-S420 WeakPolarHBondContact OD2-CB 3.13Å; D348-S420 PolarHBondContact OD2-OG 3.44Å; D348-S420 VanDerWaalsContact OD2-OG 3.09Å; D348-R421 PolarHBondContact O-NH2 2.72Å; D348-R421 WeakPolarHBondContact OD2-CA 3.24Å; D348-R421 WeakPolarHBondContact OD2-CB 3.38Å; D348-R421 PolarHBondContact OD2-N 3.28Å; D348-R422 PolarHBondContact OD2-N 2.98Å
349	I	89.9	Confident	92.7	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.041	20%	0.198	C	C	.	.			trans	-72.3	148.2	175.4	-153.1	67.3	0	0	0	111	V345 P346 L354 P379 M418	V345-I349 HydrophobicContact CB-CG2 4.32Å; V345-I349 HydrophobicContact CG2-CG2 4.3Å; P346-I349 HydrophobicContact CB-CB 4.34Å; P346-I349 WeakPolarHBondContact O-CB 3.44Å; P346-I349 WeakPolarHBondContact O-CG2 3.36Å; P346-I349 PolarHBondContact O-N 2.92Å; I349-L354 HydrophobicContact CG1-CD2 4.22Å; I349-L354 HydrophobicContact CG1-CG 3.93Å; I349-L354 HydrophobicContact CG2-CD1 4.16Å; I349-L354 HydrophobicContact CG2-CD2 4.45Å; I349-L354 HydrophobicContact CG2-CG 4.23Å; I349-P379 HydrophobicContact CG2-CG 4.02Å; I349-P379 WeakPolarHBondContact O-CD 3.29Å; I349-M418 HydrophobicContact CD1-CE 3.65Å; I349-M418 HydrophobicContact CG1-CE 3.8Å
350	T	89.8	Confident	92.7	Very high	39 Å²	39	40.6 Å²	40.6	24%	0.239	23%	0.225	C	C	.	.			trans	-116.6	163.3	176.9	65.1	0	0	0	0	110.5	A352 G353 L354	T350-A352 VanDerWaalsContact C-N 3.29Å; T350-A352 PolarHBondContact O-N 3.15Å; T350-G353 WeakPolarHBondContact O-CA 3.49Å; T350-G353 PolarHBondContact O-N 2.92Å; T350-G353 PolarHBondContact OG1-N 3.1Å; T350-G353 VanDerWaalsContact OG1-N 3.13Å; T350-L354 PolarHBondContact O-N 2.95Å
351	E	90.7	Very high	92.8	Very high	69 Å²	69	42 Å²	42	32%	0.322	23%	0.231	S	C	.	.	H	α-helix	trans	-50.7	-48.2	171.4	178	158.4	-165.1	0	0	111.7	G353 L354 V355 V366 W368 K371	E351-G353 VanDerWaalsContact C-N 3.3Å; E351-G353 PolarHBondContact O-N 3.3Å; E351-L354 PolarHBondContact O-N 3.09Å; E351-V355 WeakPolarHBondContact O-CG2 3.15Å; E351-V355 PolarHBondContact O-N 2.92Å; E351-V366 HydrophobicContact CG-CB 4.15Å; E351-V366 HydrophobicContact CG-CG2 4.47Å; E351-W368 HydrophobicContact CB-CH2 3.71Å; E351-W368 HydrophobicContact CB-CZ3 3.76Å; E351-K371 IonicContact OE1-NZ 2.74Å; E351-K371 PolarHBondContact OE1-NZ 3.29Å; E351-K371 IonicContact OE2-NZ 2.67Å; E351-K371 PolarHBondContact OE2-NZ 3.45Å
352	A	91.7	Very high	92.9	Very high	71 Å²	71	40.9 Å²	40.9	59%	0.587	23%	0.232	S	C	*	.	H	α-helix	trans	-61.8	-34	175.4	0	0	0	0	0	113.3	T350 N356	T350-A352 VanDerWaalsContact C-N 3.29Å; T350-A352 PolarHBondContact O-N 3.15Å; A352-N356 VanDerWaalsContact O-CB 3.25Å; A352-N356 WeakPolarHBondContact O-CB 3.33Å; A352-N356 PolarHBondContact O-N 2.95Å
353	G	92.6	Very high	93	Very high	18 Å²	18	43.8 Å²	43.8	19%	0.186	25%	0.252	C	S	.	.	H	α-helix	trans	-66.1	-48.6	174.4	0	0	0	0	0	112.2	T350 E351 N356 T357	T350-G353 WeakPolarHBondContact O-CA 3.49Å; T350-G353 PolarHBondContact O-N 2.92Å; T350-G353 PolarHBondContact OG1-N 3.1Å; T350-G353 VanDerWaalsContact OG1-N 3.13Å; E351-G353 VanDerWaalsContact C-N 3.3Å; E351-G353 PolarHBondContact O-N 3.3Å; G353-N356 WeakPolarHBondContact O-CB 3.45Å; G353-N356 PolarHBondContact O-N 3.34Å; G353-N356 VanDerWaalsContact O-N 3.1Å; G353-T357 PolarHBondContact O-N 2.8Å; G353-T357 PolarHBondContact O-OG1 3.36Å
354	L	93.6	Very high	93.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.5	-48.4	175.9	-70.4	161	0	0	0	111.5	L342 V345 I349 T350 E351 N356 T357 F358 V366 W368 V384 M418	L342-L354 HydrophobicContact CD2-CD2 3.84Å; V345-L354 HydrophobicContact CG1-CD2 4.48Å; I349-L354 HydrophobicContact CG1-CD2 4.22Å; I349-L354 HydrophobicContact CG1-CG 3.93Å; I349-L354 HydrophobicContact CG2-CD1 4.16Å; I349-L354 HydrophobicContact CG2-CD2 4.45Å; I349-L354 HydrophobicContact CG2-CG 4.23Å; T350-L354 PolarHBondContact O-N 2.95Å; E351-L354 PolarHBondContact O-N 3.09Å; L354-N356 PolarHBondContact O-N 3.27Å; L354-T357 PolarHBondContact O-N 2.97Å; L354-T357 VanDerWaalsContact O-N 3.15Å; L354-F358 HydrophobicContact CD2-CD2 4.42Å; L354-F358 HydrophobicContact CD2-CE2 3.95Å; L354-F358 VanDerWaalsContact O-CD2 3.27Å; L354-F358 WeakPolarHBondContact O-CD2 3.18Å; L354-F358 PolarHBondContact O-N 3.13Å; L354-V366 HydrophobicContact CB-CG2 3.98Å; L354-V366 HydrophobicContact CD1-CG1 3.87Å; L354-W368 HydrophobicContact CD1-CZ3 4.48Å; L354-V384 HydrophobicContact CD1-CG1 4.06Å; L354-V384 HydrophobicContact CD1-CG2 4.02Å; L354-V384 HydrophobicContact CD2-CG2 4.38Å; L354-M418 HydrophobicContact CD2-CE 3.92Å; L354-M418 HydrophobicContact CD2-SD 4.28Å
355	V	95.1	Very high	93.4	Very high	38 Å²	38	45.4 Å²	45.4	23%	0.23	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-29.9	175.3	175.9	0	0	0	0	111.7	E351 R359 V366	E351-V355 WeakPolarHBondContact O-CG2 3.15Å; E351-V355 PolarHBondContact O-N 2.92Å; V355-R359 WeakPolarHBondContact O-CB 3.3Å; V355-R359 WeakPolarHBondContact O-CG 3.19Å; V355-R359 PolarHBondContact O-N 2.93Å; V355-R359 PolarHBondContact O-NE 3.28Å; V355-R359 VanDerWaalsContact O-NE 3.09Å; V355-V366 HydrophobicContact CG2-CG2 3.8Å
356	N	94.7	Very high	93.5	Very high	95 Å²	95	45.5 Å²	45.5	51%	0.508	26%	0.255	S	S	.	.	H	α-helix	trans	-74.3	-34.4	174.3	-161.4	90	0	0	0	113.1	A352 G353 L354 R359	A352-N356 VanDerWaalsContact O-CB 3.25Å; A352-N356 WeakPolarHBondContact O-CB 3.33Å; A352-N356 PolarHBondContact O-N 2.95Å; G353-N356 WeakPolarHBondContact O-CB 3.45Å; G353-N356 PolarHBondContact O-N 3.34Å; G353-N356 VanDerWaalsContact O-N 3.1Å; L354-N356 PolarHBondContact O-N 3.27Å; N356-R359 VanDerWaalsContact OD1-CZ 3.28Å; N356-R359 PolarHBondContact OD1-NH1 3.32Å; N356-R359 PolarHBondContact OD1-NH2 3.37Å
357	T	95.3	Very high	93.5	Very high	35 Å²	35	48.1 Å²	48.1	22%	0.215	27%	0.267	C	S	.	.	H	α-helix	trans	-70.9	-47	174.5	-61.1	0	0	0	0	112	G353 L354 F416 M418	G353-T357 PolarHBondContact O-N 2.8Å; G353-T357 PolarHBondContact O-OG1 3.36Å; L354-T357 PolarHBondContact O-N 2.97Å; L354-T357 VanDerWaalsContact O-N 3.15Å; T357-F416 HydrophobicContact CG2-CE1 3.63Å; T357-F416 HydrophobicContact CG2-CZ 4.31Å; T357-M418 HydrophobicContact CG2-CB 4.18Å; T357-M418 HydrophobicContact CG2-CE 4.48Å
358	F	96.7	Very high	93.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-95.9	-11.5	-166.6	-66.5	-68	0	0	0	115.5	L342 L354 V360 F361 L364 L386 F388 L397 F416 M418	L342-F358 HydrophobicContact CD1-CZ 4.18Å; L342-F358 HydrophobicContact CD2-CE2 3.57Å; L342-F358 HydrophobicContact CD2-CZ 3.82Å; L354-F358 HydrophobicContact CD2-CD2 4.42Å; L354-F358 HydrophobicContact CD2-CE2 3.95Å; L354-F358 VanDerWaalsContact O-CD2 3.27Å; L354-F358 WeakPolarHBondContact O-CD2 3.18Å; L354-F358 PolarHBondContact O-N 3.13Å; F358-V360 PolarHBondContact O-N 3.24Å; F358-F361 HydrophobicContact CD1-CD2 4.09Å; F358-F361 AromaticContact CD1-CE2 3.92Å; F358-F361 HydrophobicContact CD1-CE2 3.92Å; F358-F361 WeakPolarHBondContact O-CD2 3.48Å; F358-F361 PolarHBondContact O-N 3.46Å; F358-F361 VanDerWaalsContact O-N 3.11Å; F358-L364 HydrophobicContact CB-CD1 3.74Å; F358-L364 HydrophobicContact CB-CD2 4.07Å; F358-L386 HydrophobicContact CB-CD1 4.24Å; F358-L386 HydrophobicContact CD1-CD1 3.97Å; F358-L386 HydrophobicContact CD2-CD1 3.58Å; F358-L386 HydrophobicContact CD2-CD2 4.06Å; F358-L386 HydrophobicContact CD2-CG 4.49Å; F358-L386 HydrophobicContact CE1-CD1 4.24Å; F358-L386 HydrophobicContact CE2-CD1 3.88Å; F358-L386 HydrophobicContact CE2-CD2 4.44Å; F358-L386 HydrophobicContact CG-CD1 3.65Å; F358-L386 HydrophobicContact CZ-CD1 4.2Å; F358-F388 HydrophobicContact CB-CZ 4.35Å; F358-L397 HydrophobicContact CD1-CD1 3.85Å; F358-L397 HydrophobicContact CE1-CD1 3.73Å; F358-F416 AromaticContact CE1-CD1 3.62Å; F358-F416 HydrophobicContact CE1-CD1 3.62Å; F358-F416 AromaticContact CE1-CE1 3.75Å; F358-F416 HydrophobicContact CE1-CE1 3.75Å; F358-F416 HydrophobicContact CE1-CG 4.06Å; F358-F416 HydrophobicContact CE1-CZ 4.29Å; F358-F416 AromaticContact CZ-CD1 3.8Å; F358-F416 HydrophobicContact CZ-CD1 3.8Å; F358-F416 HydrophobicContact CZ-CE1 4.1Å; F358-F416 HydrophobicContact CZ-CG 4.5Å; F358-M418 HydrophobicContact CE2-SD 4.49Å
359	R	96.6	Very high	92.6	Very high	127 Å²	127	42.7 Å²	42.7	48%	0.479	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-58.6	-19.6	178.3	66	174.8	70.5	135.4	4.7	114.9	V355 N356 F361 G362 L364	V355-R359 WeakPolarHBondContact O-CB 3.3Å; V355-R359 WeakPolarHBondContact O-CG 3.19Å; V355-R359 PolarHBondContact O-N 2.93Å; V355-R359 PolarHBondContact O-NE 3.28Å; V355-R359 VanDerWaalsContact O-NE 3.09Å; N356-R359 VanDerWaalsContact OD1-CZ 3.28Å; N356-R359 PolarHBondContact OD1-NH1 3.32Å; N356-R359 PolarHBondContact OD1-NH2 3.37Å; R359-F361 PolarHBondContact O-N 2.83Å; R359-G362 WeakPolarHBondContact CA-O 3.17Å; R359-G362 PolarHBondContact O-N 2.98Å; R359-G362 VanDerWaalsContact O-N 3.11Å; R359-L364 HydrophobicContact CB-CD2 4.36Å
360	V	96.8	Very high	91.3	Very high	108 Å²	108	44.1 Å²	44.1	66%	0.655	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-63	-23.3	177.9	-60.1	0	0	0	0	112.8	F358	F358-V360 PolarHBondContact O-N 3.24Å
361	F	97.4	Very high	89.9	Confident	28 Å²	28	47 Å²	47	12%	0.123	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-90.2	-18.7	176.2	-52	-62.9	0	0	0	112.7	F358 R359 F388 S393 L397 A400 F416	F358-F361 HydrophobicContact CD1-CD2 4.09Å; F358-F361 AromaticContact CD1-CE2 3.92Å; F358-F361 HydrophobicContact CD1-CE2 3.92Å; F358-F361 WeakPolarHBondContact O-CD2 3.48Å; F358-F361 PolarHBondContact O-N 3.46Å; F358-F361 VanDerWaalsContact O-N 3.11Å; R359-F361 PolarHBondContact O-N 2.83Å; F361-F388 HydrophobicContact CB-CE1 4.1Å; F361-S393 WeakPolarHBondContact O-CA 3.49Å; F361-S393 WeakPolarHBondContact O-CB 3.45Å; F361-S393 PolarHBondContact O-OG 3.35Å; F361-L397 HydrophobicContact CB-CB 4.47Å; F361-L397 HydrophobicContact CD1-CB 4.44Å; F361-L397 HydrophobicContact CD2-CB 4.01Å; F361-L397 HydrophobicContact CD2-CD1 3.96Å; F361-L397 HydrophobicContact CE2-CB 4.4Å; F361-L397 HydrophobicContact CE2-CD1 3.64Å; F361-L397 HydrophobicContact CG-CB 4.04Å; F361-L397 HydrophobicContact CZ-CD1 4.18Å; F361-A400 HydrophobicContact CE1-CB 3.52Å; F361-A400 HydrophobicContact CZ-CB 3.64Å; F361-F416 HydrophobicContact CE2-CE2 4.14Å; F361-F416 HydrophobicContact CE2-CZ 4.29Å; F361-F416 AromaticContact CZ-CE2 3.88Å; F361-F416 HydrophobicContact CZ-CE2 3.88Å; F361-F416 HydrophobicContact CZ-CZ 4.32Å
362	G	96.4	Very high	88.1	Confident	21 Å²	21	49.6 Å²	49.6	22%	0.216	29%	0.292	C	S	.	.	S	Bend	trans	148.3	176.8	180	0	0	0	0	0	112.7	R359 L364	R359-G362 WeakPolarHBondContact CA-O 3.17Å; R359-G362 PolarHBondContact O-N 2.98Å; R359-G362 VanDerWaalsContact O-N 3.11Å; G362-L364 WeakPolarHBondContact O-CD2 3.28Å
363	S	96.4	Very high	86.1	Confident	60 Å²	60	49.2 Å²	49.2	42%	0.42	30%	0.295	S	S	.	.			trans	-64.8	138.7	175.1	-173	0	0	0	0	111.4	F388 E389	S363-F388 WeakPolarHBondContact O-CA 3.42Å; S363-E389 WeakPolarHBondContact CB-OE1 3.35Å; S363-E389 PolarHBondContact O-N 3.32Å; S363-E389 VanDerWaalsContact OG-CD 3.29Å; S363-E389 PolarHBondContact OG-OE1 3.02Å
364	L	96.8	Very high	84.3	Confident	20 Å²	20	57 Å²	57	11%	0.105	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	156.5	179.5	74.5	155.4	0	0	0	113	F358 R359 G362 L386 V387 F388	F358-L364 HydrophobicContact CB-CD1 3.74Å; F358-L364 HydrophobicContact CB-CD2 4.07Å; R359-L364 HydrophobicContact CB-CD2 4.36Å; G362-L364 WeakPolarHBondContact O-CD2 3.28Å; L364-L386 HydrophobicContact CD1-CB 4.05Å; L364-L386 HydrophobicContact CD1-CD1 4.33Å; L364-L386 HydrophobicContact CD1-CD2 3.91Å; L364-L386 HydrophobicContact CD1-CG 4.31Å; L364-V387 CarbonylContact C-O 3.53Å; L364-V387 WeakPolarHBondContact CA-O 3.48Å; L364-V387 WeakPolarHBondContact CB-O 3.45Å; L364-F388 HydrophobicContact CB-CD1 3.75Å; L364-F388 HydrophobicContact CB-CE1 4Å; L364-F388 HydrophobicContact CB-CG 4.17Å; L364-F388 HydrophobicContact CD1-CE1 4.28Å; L364-F388 HydrophobicContact CD1-CZ 4.28Å; L364-F388 HydrophobicContact CD2-CE1 4.21Å; L364-F388 HydrophobicContact CG-CE1 4.39Å
365	S	95.4	Very high	82.4	Confident	59 Å²	59	63.4 Å²	63.4	41%	0.413	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	170.3	160	68.1	0	0	0	0	111	V387	S365-V387 PolarHBondContact N-O 3.14Å; S365-V387 PolarHBondContact O-N 3.41Å
366	V	93.4	Very high	80.4	Confident	4 Å²	4	66 Å²	66	2%	0.024	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122.9	179.3	-178.6	0	0	0	0	110	E351 L354 V355 W368 V384 Y385 L386	E351-V366 HydrophobicContact CG-CB 4.15Å; E351-V366 HydrophobicContact CG-CG2 4.47Å; L354-V366 HydrophobicContact CB-CG2 3.98Å; L354-V366 HydrophobicContact CD1-CG1 3.87Å; V355-V366 HydrophobicContact CG2-CG2 3.8Å; V366-W368 HydrophobicContact CG1-CE3 3.82Å; V366-W368 HydrophobicContact CG1-CZ3 4.15Å; V366-V384 HydrophobicContact CG1-CB 4.23Å; V366-Y385 WeakPolarHBondContact CA-O 3.33Å; V366-L386 HydrophobicContact CG2-CD2 4.15Å
367	E	90.4	Very high	78.8	Confident	55 Å²	55	70.4 Å²	70.4	26%	0.257	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.5	174.1	-63.5	179.1	168.6	0	0	108.9	K339 Y385 V387 H489	K339-E367 VanDerWaalsContact CE-OE2 3.28Å; K339-E367 WeakPolarHBondContact CE-OE2 3.15Å; K339-E367 IonicContact NZ-OE2 2.66Å; K339-E367 PolarHBondContact NZ-OE2 3.26Å; E367-Y385 PolarHBondContact N-O 3.32Å; E367-Y385 PolarHBondContact O-N 2.95Å; E367-V387 HydrophobicContact CG-CG2 4.1Å; E367-H489 IonicContact OE1-CE1 3.72Å
368	W	83.3	Confident	77	Confident	12 Å²	12	71 Å²	71	5%	0.045	39%	0.386	C	S	.	.			trans	-137.6	143.4	169.2	60.4	61.6	0	0	0	110.4	E351 L354 V366 V384	E351-W368 HydrophobicContact CB-CH2 3.71Å; E351-W368 HydrophobicContact CB-CZ3 3.76Å; L354-W368 HydrophobicContact CD1-CZ3 4.48Å; V366-W368 HydrophobicContact CG1-CE3 3.82Å; V366-W368 HydrophobicContact CG1-CZ3 4.15Å; W368-V384 HydrophobicContact CB-CB 4.41Å; W368-V384 HydrophobicContact CB-CG1 4.06Å; W368-V384 HydrophobicContact CE3-CG1 3.93Å
369	P	71.8	Confident	75.2	Confident	29 Å²	29	71.4 Å²	71.4	19%	0.188	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	147.2	-177.9	27.7	-33.9	0	0	0	111.4	Y383	P369-Y383 HydrophobicContact CG-CD2 4.49Å; P369-Y383 HydrophobicContact CG-CE2 3.54Å
370	G	63.2	Low	73.5	Confident	38 Å²	38	68.9 Å²	68.9	39%	0.392	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	33.4	-175.6	0	0	0	0	0	113.9	D372	G370-D372 PolarHBondContact O-N 2.88Å
371	K	59.3	Low	72.1	Confident	100 Å²	100	69.2 Å²	69.2	44%	0.435	38%	0.381	S	S	.	.			trans	-76	34.8	173.1	-158.2	166.3	-174.1	170.1	0	111.6	E351 G373	E351-K371 IonicContact OE1-NZ 2.74Å; E351-K371 PolarHBondContact OE1-NZ 3.29Å; E351-K371 IonicContact OE2-NZ 2.67Å; E351-K371 PolarHBondContact OE2-NZ 3.45Å; K371-G373 PolarHBondContact O-N 2.77Å
372	D	52.6	Low	71.5	Confident	124 Å²	124	69 Å²	69	66%	0.663	39%	0.386	S	S	*	.	S	Bend	trans	-82.5	43.2	-167.3	-45.9	-27.3	0	0	0	112	G370 K374	G370-D372 PolarHBondContact O-N 2.88Å; D372-K374 PolarHBondContact O-N 2.67Å
373	G	51.2	Low	71.2	Confident	63 Å²	63	70.1 Å²	70.1	65%	0.649	39%	0.385	S	S	*	.	S	Bend	trans	69.1	-32.3	-179.2	0	0	0	0	0	116.5	K371 H375	K371-G373 PolarHBondContact O-N 2.77Å; G373-H375 PolarHBondContact O-N 3.44Å
374	K	54.2	Low	71	Confident	180 Å²	180	67.3 Å²	67.3	78%	0.783	37%	0.365	S	S	*	.	S	Bend	trans	-73.1	-27.7	-167.9	-67.8	173.4	-177.7	175.4	0	115	D372	D372-K374 PolarHBondContact O-N 2.67Å
375	H	53	Low	70.9	Confident	135 Å²	135	68.2 Å²	68.2	63%	0.625	37%	0.367	S	S	*	.			trans	-129.4	77.9	178	-66.4	-52.7	0	0	0	112.2	G373 R377	G373-H375 PolarHBondContact O-N 3.44Å; H375-R377 VanDerWaalsContact C-N 3.35Å; H375-R377 PolarHBondContact O-N 2.89Å
376	P	54.5	Low	71	Confident	92 Å²	92	65.4 Å²	65.4	60%	0.597	35%	0.348	S	S	*	.			trans	-86.4	17.3	-166.4	34.5	-37.8	0	0	0	115.8
377	R	59.7	Low	71.1	Confident	189 Å²	189	65.8 Å²	65.8	71%	0.713	35%	0.35	S	S	*	.	S	Bend	trans	-130.5	-34.7	-167.7	-67.6	-70.2	-165.8	138	7	116.8	H375	H375-R377 VanDerWaalsContact C-N 3.35Å; H375-R377 PolarHBondContact O-N 2.89Å
378	C	57.3	Low	71.5	Confident	48 Å²	48	63.4 Å²	63.4	32%	0.324	34%	0.338	S	S	.	.	S	Bend	trans	-138.7	150.1	-172	-58	0	0	0	0	110.7	P380	C378-P380 WeakPolarHBondContact O-CD 3.49Å
379	P	60.3	Low	72.1	Confident	8 Å²	8	69.2 Å²	69.2	5%	0.052	37%	0.366	C	S	.	.			trans	-73.6	118.3	-179.5	28.8	-33.5	0	0	0	111.5	V345 I349 K381 V384	V345-P379 HydrophobicContact CG2-CB 4.4Å; V345-P379 HydrophobicContact CG2-CG 3.75Å; I349-P379 HydrophobicContact CG2-CG 4.02Å; I349-P379 WeakPolarHBondContact O-CD 3.29Å; P379-K381 VanDerWaalsContact C-N 3.25Å; P379-K381 PolarHBondContact O-N 3.35Å; P379-K381 VanDerWaalsContact O-N 3.15Å; P379-V384 HydrophobicContact CB-CG1 3.67Å; P379-V384 HydrophobicContact CG-CG1 4.22Å
380	P	60.5	Low	73.4	Confident	74 Å²	74	71.8 Å²	71.8	48%	0.481	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.9	-167.9	27.5	-35.8	0	0	0	114.9	C378	C378-P380 WeakPolarHBondContact O-CD 3.49Å
381	K	66.8	Low	74.9	Confident	114 Å²	114	71.9 Å²	71.9	50%	0.496	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.7	12.5	-175	-62.2	-176.8	179.4	175.4	0	114.3	G217 P379 Y383	G217-K381 PolarHBondContact O-NZ 3.04Å; P379-K381 VanDerWaalsContact C-N 3.25Å; P379-K381 PolarHBondContact O-N 3.35Å; P379-K381 VanDerWaalsContact O-N 3.15Å; K381-Y383 VanDerWaalsContact C-N 3.27Å; K381-Y383 HydrophobicContact CB-CD1 3.77Å; K381-Y383 HydrophobicContact CB-CE1 3.39Å; K381-Y383 HydrophobicContact CD-CE1 3.97Å; K381-Y383 HydrophobicContact CG-CE1 4.31Å; K381-Y383 WeakPolarHBondContact O-CD1 3.38Å; K381-Y383 PolarHBondContact O-N 2.97Å
382	G	84.7	Confident	76.7	Confident	23 Å²	23	73.7 Å²	73.7	24%	0.237	38%	0.376	C	S	.	.	S	Bend	trans	68.8	17.6	177.7	0	0	0	0	0	115.7	G344 V345	G344-G382 CarbonylContact C-O 3.54Å; G344-G382 WeakPolarHBondContact CA-O 3.36Å; G344-G382 PolarHBondContact N-O 2.8Å; V345-G382 WeakPolarHBondContact CG2-O 3.3Å; V345-G382 PolarHBondContact N-O 3.01Å
383	Y	90.4	Very high	78.9	Confident	46 Å²	46	68 Å²	68	18%	0.18	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	156.1	169.5	65.7	-90.9	0	0	0	111.3	S216 F341 L342 P369 K381	S216-Y383 PolarHBondContact O-OH 2.95Å; F341-Y383 HydrophobicContact CD2-CD2 4.25Å; F341-Y383 AromaticContact CE2-CD2 3.5Å; F341-Y383 HydrophobicContact CE2-CD2 3.5Å; F341-Y383 VanDerWaalsContact CE2-CD2 3.5Å; F341-Y383 HydrophobicContact CE2-CE2 4.26Å; F341-Y383 AromaticContact CE2-CG 3.78Å; F341-Y383 HydrophobicContact CE2-CG 3.78Å; F341-Y383 HydrophobicContact CZ-CD2 4.3Å; F341-Y383 HydrophobicContact CZ-CG 4.12Å; L342-Y383 VanDerWaalsContact O-CA 3.3Å; L342-Y383 WeakPolarHBondContact O-CA 3.39Å; P369-Y383 HydrophobicContact CG-CD2 4.49Å; P369-Y383 HydrophobicContact CG-CE2 3.54Å; K381-Y383 VanDerWaalsContact C-N 3.27Å; K381-Y383 HydrophobicContact CB-CD1 3.77Å; K381-Y383 HydrophobicContact CB-CE1 3.39Å; K381-Y383 HydrophobicContact CD-CE1 3.97Å; K381-Y383 HydrophobicContact CG-CE1 4.31Å; K381-Y383 WeakPolarHBondContact O-CD1 3.38Å; K381-Y383 PolarHBondContact O-N 2.97Å
384	V	93.2	Very high	81	Confident	0 Å²	0	65 Å²	65	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	170.6	176.8	-57.2	0	0	0	0	110.4	L342 V345 L354 V366 W368 P379 L386	L342-V384 HydrophobicContact CB-CG2 3.79Å; L342-V384 HydrophobicContact CD2-CG2 3.89Å; L342-V384 HydrophobicContact CG-CG2 4.35Å; L342-V384 PolarHBondContact N-O 2.79Å; L342-V384 PolarHBondContact O-N 3.22Å; V345-V384 HydrophobicContact CG1-CG2 4.19Å; V345-V384 HydrophobicContact CG2-CG1 4.35Å; L354-V384 HydrophobicContact CD1-CG1 4.06Å; L354-V384 HydrophobicContact CD1-CG2 4.02Å; L354-V384 HydrophobicContact CD2-CG2 4.38Å; V366-V384 HydrophobicContact CG1-CB 4.23Å; W368-V384 HydrophobicContact CB-CB 4.41Å; W368-V384 HydrophobicContact CB-CG1 4.06Å; W368-V384 HydrophobicContact CE3-CG1 3.93Å; P379-V384 HydrophobicContact CB-CG1 3.67Å; P379-V384 HydrophobicContact CG-CG1 4.22Å; V384-L386 HydrophobicContact CG2-CD2 4.35Å
385	Y	94.4	Very high	83	Confident	40 Å²	40	60.6 Å²	60.6	16%	0.157	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.7	164.2	-57.6	-87.9	0	0	0	109.8	K339 V340 F341 V366 E367 Y491	K339-Y385 HydrophobicContact CG-CD1 4.47Å; V340-Y385 CarbonylContact O-C 3.58Å; V340-Y385 VanDerWaalsContact O-CA 3.28Å; V340-Y385 WeakPolarHBondContact O-CA 3.27Å; F341-Y385 HydrophobicContact CB-CD1 4.05Å; F341-Y385 HydrophobicContact CB-CE1 3.98Å; F341-Y385 HydrophobicContact CD2-CD1 4.33Å; F341-Y385 AromaticContact CD2-CE1 3.77Å; F341-Y385 HydrophobicContact CD2-CE1 3.77Å; F341-Y385 HydrophobicContact CG-CE1 4.38Å; V366-Y385 WeakPolarHBondContact CA-O 3.33Å; E367-Y385 PolarHBondContact N-O 3.32Å; E367-Y385 PolarHBondContact O-N 2.95Å; Y385-Y491 HydrophobicContact CD1-CE1 4.15Å; Y385-Y491 HydrophobicContact CE1-CD1 4.42Å; Y385-Y491 AromaticContact CE1-CE1 3.71Å; Y385-Y491 HydrophobicContact CE1-CE1 3.71Å
386	L	96.2	Very high	85.1	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	133.9	166.5	-52.2	-177.8	0	0	0	107.9	K339 V340 L342 F358 L364 V366 V384 F388 L397	K339-L386 CarbonylContact C-O 3.42Å; K339-L386 VanDerWaalsContact CA-O 3.3Å; K339-L386 WeakPolarHBondContact CA-O 3.45Å; V340-L386 PolarHBondContact N-O 2.74Å; V340-L386 PolarHBondContact O-N 3.36Å; L342-L386 HydrophobicContact CD2-CD1 4.31Å; L342-L386 HydrophobicContact CD2-CD2 4.31Å; L342-L386 HydrophobicContact CD2-CG 4.39Å; F358-L386 HydrophobicContact CB-CD1 4.24Å; F358-L386 HydrophobicContact CD1-CD1 3.97Å; F358-L386 HydrophobicContact CD2-CD1 3.58Å; F358-L386 HydrophobicContact CD2-CD2 4.06Å; F358-L386 HydrophobicContact CD2-CG 4.49Å; F358-L386 HydrophobicContact CE1-CD1 4.24Å; F358-L386 HydrophobicContact CE2-CD1 3.88Å; F358-L386 HydrophobicContact CE2-CD2 4.44Å; F358-L386 HydrophobicContact CG-CD1 3.65Å; F358-L386 HydrophobicContact CZ-CD1 4.2Å; L364-L386 HydrophobicContact CD1-CB 4.05Å; L364-L386 HydrophobicContact CD1-CD1 4.33Å; L364-L386 HydrophobicContact CD1-CD2 3.91Å; L364-L386 HydrophobicContact CD1-CG 4.31Å; V366-L386 HydrophobicContact CG2-CD2 4.15Å; V384-L386 HydrophobicContact CG2-CD2 4.35Å; L386-F388 HydrophobicContact CB-CE2 4.06Å; L386-F388 HydrophobicContact CD1-CE2 4.25Å; L386-F388 HydrophobicContact CD1-CZ 4.35Å; L386-L397 HydrophobicContact CD1-CD2 4.34Å
387	V	97.1	Very high	87.1	Confident	11 Å²	11	52 Å²	52	7%	0.067	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	102.3	174.6	-176.3	0	0	0	0	108.3	K339 L364 S365 E367	K339-V387 HydrophobicContact CB-CG2 4.18Å; K339-V387 HydrophobicContact CD-CG2 3.88Å; K339-V387 HydrophobicContact CG-CG2 3.9Å; L364-V387 CarbonylContact C-O 3.53Å; L364-V387 WeakPolarHBondContact CA-O 3.48Å; L364-V387 WeakPolarHBondContact CB-O 3.45Å; S365-V387 PolarHBondContact N-O 3.14Å; S365-V387 PolarHBondContact O-N 3.41Å; E367-V387 HydrophobicContact CG-CG2 4.1Å
388	F	97.9	Very high	88.7	Confident	5 Å²	5	43.4 Å²	43.4	2%	0.022	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	156.2	174.7	-68.2	-86.6	0	0	0	111	C338 F358 F361 S363 L364 L386 S393 V394 L397	C338-F388 VanDerWaalsContact CB-O 3.22Å; C338-F388 WeakPolarHBondContact CB-O 3.25Å; C338-F388 PolarHBondContact O-N 3.34Å; F358-F388 HydrophobicContact CB-CZ 4.35Å; F361-F388 HydrophobicContact CB-CE1 4.1Å; S363-F388 WeakPolarHBondContact O-CA 3.42Å; L364-F388 HydrophobicContact CB-CD1 3.75Å; L364-F388 HydrophobicContact CB-CE1 4Å; L364-F388 HydrophobicContact CB-CG 4.17Å; L364-F388 HydrophobicContact CD1-CE1 4.28Å; L364-F388 HydrophobicContact CD1-CZ 4.28Å; L364-F388 HydrophobicContact CD2-CE1 4.21Å; L364-F388 HydrophobicContact CG-CE1 4.39Å; L386-F388 HydrophobicContact CB-CE2 4.06Å; L386-F388 HydrophobicContact CD1-CE2 4.25Å; L386-F388 HydrophobicContact CD1-CZ 4.35Å; F388-S393 VanDerWaalsContact CD1-CB 3.49Å; F388-V394 HydrophobicContact CB-CG2 4.43Å; F388-V394 HydrophobicContact CD2-CG2 3.69Å; F388-V394 HydrophobicContact CE2-CG2 4.36Å; F388-V394 HydrophobicContact CG-CG2 4.32Å; F388-L397 HydrophobicContact CE2-CD2 3.93Å; F388-L397 HydrophobicContact CZ-CD2 4.08Å
389	E	96.9	Very high	90.4	Very high	134 Å²	134	48.8 Å²	48.8	63%	0.626	24%	0.239	S	C	*	.	S	Bend	trans	-71.2	-33.3	169.5	-73.1	172.4	-159.5	0	0	112.2	S363	S363-E389 WeakPolarHBondContact CB-OE1 3.35Å; S363-E389 PolarHBondContact O-N 3.32Å; S363-E389 VanDerWaalsContact OG-CD 3.29Å; S363-E389 PolarHBondContact OG-OE1 3.02Å
390	L	97.2	Very high	92.1	Very high	84 Å²	84	50.9 Å²	50.9	44%	0.44	26%	0.257	S	S	.	.			trans	-130.6	131.1	-168.3	-58.8	175.8	0	0	0	112	K392 S393	L390-K392 HydrophobicContact CB-CG 4.08Å; L390-K392 PolarHBondContact O-N 3Å; L390-K392 VanDerWaalsContact O-N 3.16Å; L390-S393 WeakPolarHBondContact O-CB 3.45Å; L390-S393 PolarHBondContact O-N 2.87Å
391	E	96.1	Very high	93.7	Very high	39 Å²	39	47.7 Å²	47.7	18%	0.182	24%	0.237	C	C	.	.	H	α-helix	trans	-60.6	-27.7	-178.2	-174.4	-85.5	157.2	0	0	113.4	I335 Y336 S393 V394 R395	I335-E391 WeakPolarHBondContact CA-OE1 3.49Å; I335-E391 HydrophobicContact CG2-CG 4.14Å; Y336-E391 PolarHBondContact N-OE1 3Å; Y336-E391 WeakPolarHBondContact O-CG 3.36Å; E391-S393 PolarHBondContact O-N 3Å; E391-V394 WeakPolarHBondContact O-CB 3.45Å; E391-V394 PolarHBondContact O-N 2.68Å; E391-V394 VanDerWaalsContact O-N 3.14Å; E391-R395 VanDerWaalsContact CD-NH2 3.27Å; E391-R395 PolarHBondContact O-N 2.88Å; E391-R395 IonicContact OE1-CZ 3.14Å; E391-R395 IonicContact OE1-NE 2.81Å; E391-R395 IonicContact OE1-NH1 3.1Å; E391-R395 PolarHBondContact OE1-NH1 2.82Å; E391-R395 IonicContact OE1-NH2 2.98Å; E391-R395 PolarHBondContact OE1-NH2 2.92Å; E391-R395 IonicContact OE2-CZ 3.04Å; E391-R395 IonicContact OE2-NH1 2.82Å; E391-R395 PolarHBondContact OE2-NH1 2.94Å; E391-R395 IonicContact OE2-NH2 3.06Å; E391-R395 PolarHBondContact OE2-NH2 3.05Å
392	K	96.5	Very high	94.8	Very high	139 Å²	139	45.2 Å²	45.2	60%	0.604	23%	0.234	S	C	*	.	H	α-helix	trans	-60.5	-29.5	171.6	73.9	-174.8	-174.7	-174.6	0	113.5	L390 V394 R395 S396	L390-K392 HydrophobicContact CB-CG 4.08Å; L390-K392 PolarHBondContact O-N 3Å; L390-K392 VanDerWaalsContact O-N 3.16Å; K392-V394 VanDerWaalsContact C-N 3.34Å; K392-R395 PolarHBondContact O-N 2.98Å; K392-S396 PolarHBondContact O-N 3.06Å
393	S	97.9	Very high	94.7	Very high	5 Å²	5	48.5 Å²	48.5	4%	0.035	24%	0.243	C	C	.	.	H	α-helix	trans	-69.9	-33.1	177.1	-62.4	0	0	0	0	111.7	F361 F388 L390 E391 S396 L397	F361-S393 WeakPolarHBondContact O-CA 3.49Å; F361-S393 WeakPolarHBondContact O-CB 3.45Å; F361-S393 PolarHBondContact O-OG 3.35Å; F388-S393 VanDerWaalsContact CD1-CB 3.49Å; L390-S393 WeakPolarHBondContact O-CB 3.45Å; L390-S393 PolarHBondContact O-N 2.87Å; E391-S393 PolarHBondContact O-N 3Å; S393-S396 PolarHBondContact O-N 3.03Å; S393-L397 PolarHBondContact O-N 2.96Å
394	V	97.1	Very high	93.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.2	-43.4	172.3	178.9	0	0	0	0	110.7	Y336 V340 F388 E391 K392 S396 L397 L398 P432	Y336-V394 HydrophobicContact CD2-CG1 4.32Å; Y336-V394 HydrophobicContact CG-CG1 4.05Å; V340-V394 HydrophobicContact CG2-CB 4.3Å; V340-V394 HydrophobicContact CG2-CG1 3.67Å; V340-V394 HydrophobicContact CG2-CG2 3.66Å; F388-V394 HydrophobicContact CB-CG2 4.43Å; F388-V394 HydrophobicContact CD2-CG2 3.69Å; F388-V394 HydrophobicContact CE2-CG2 4.36Å; F388-V394 HydrophobicContact CG-CG2 4.32Å; E391-V394 WeakPolarHBondContact O-CB 3.45Å; E391-V394 PolarHBondContact O-N 2.68Å; E391-V394 VanDerWaalsContact O-N 3.14Å; K392-V394 VanDerWaalsContact C-N 3.34Å; V394-S396 VanDerWaalsContact C-N 3.32Å; V394-S396 PolarHBondContact O-N 3.11Å; V394-L397 PolarHBondContact O-N 2.89Å; V394-L398 HydrophobicContact CG1-CD1 4.02Å; V394-L398 HydrophobicContact CG1-CG 4.46Å; V394-L398 VanDerWaalsContact O-CG 3.28Å; V394-L398 WeakPolarHBondContact O-CG 3.43Å; V394-L398 PolarHBondContact O-N 2.74Å; V394-P432 HydrophobicContact CG1-CB 4.34Å
395	R	95.1	Very high	92	Very high	87 Å²	87	55.3 Å²	55.3	33%	0.328	29%	0.288	S	S	.	.	H	α-helix	trans	-58.9	-43	172.1	-66.7	-157.7	-166.5	75.3	9.2	112.4	P334 Y336 E391 K392 L398 Q399	P334-R395 PolarHBondContact O-NE 2.77Å; P334-R395 PolarHBondContact O-NH2 2.96Å; Y336-R395 HydrophobicContact CD2-CG 3.97Å; Y336-R395 HydrophobicContact CE2-CG 4.02Å; E391-R395 VanDerWaalsContact CD-NH2 3.27Å; E391-R395 PolarHBondContact O-N 2.88Å; E391-R395 IonicContact OE1-CZ 3.14Å; E391-R395 IonicContact OE1-NE 2.81Å; E391-R395 IonicContact OE1-NH1 3.1Å; E391-R395 PolarHBondContact OE1-NH1 2.82Å; E391-R395 IonicContact OE1-NH2 2.98Å; E391-R395 PolarHBondContact OE1-NH2 2.92Å; E391-R395 IonicContact OE2-CZ 3.04Å; E391-R395 IonicContact OE2-NH1 2.82Å; E391-R395 PolarHBondContact OE2-NH1 2.94Å; E391-R395 IonicContact OE2-NH2 3.06Å; E391-R395 PolarHBondContact OE2-NH2 3.05Å; K392-R395 PolarHBondContact O-N 2.98Å; R395-L398 PolarHBondContact O-N 3.04Å; R395-Q399 VanDerWaalsContact O-CG 3.29Å; R395-Q399 WeakPolarHBondContact O-CG 3.2Å; R395-Q399 PolarHBondContact O-N 2.96Å
396	S	96.8	Very high	90.2	Very high	46 Å²	46	60.4 Å²	60.4	32%	0.322	32%	0.317	S	S	.	.	H	α-helix	trans	-65.5	-38.6	179.8	-169.6	0	0	0	0	112.6	K392 S393 V394 Q399 A400	K392-S396 PolarHBondContact O-N 3.06Å; S393-S396 PolarHBondContact O-N 3.03Å; V394-S396 VanDerWaalsContact C-N 3.32Å; V394-S396 PolarHBondContact O-N 3.11Å; S396-Q399 PolarHBondContact O-N 3.48Å; S396-A400 PolarHBondContact O-N 3.4Å
397	L	96.6	Very high	88.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.3	-50	170.3	169.1	59.6	0	0	0	111.4	F358 F361 L386 F388 S393 V394 Q399 A400 C401 F416 V430	F358-L397 HydrophobicContact CD1-CD1 3.85Å; F358-L397 HydrophobicContact CE1-CD1 3.73Å; F361-L397 HydrophobicContact CB-CB 4.47Å; F361-L397 HydrophobicContact CD1-CB 4.44Å; F361-L397 HydrophobicContact CD2-CB 4.01Å; F361-L397 HydrophobicContact CD2-CD1 3.96Å; F361-L397 HydrophobicContact CE2-CB 4.4Å; F361-L397 HydrophobicContact CE2-CD1 3.64Å; F361-L397 HydrophobicContact CG-CB 4.04Å; F361-L397 HydrophobicContact CZ-CD1 4.18Å; L386-L397 HydrophobicContact CD1-CD2 4.34Å; F388-L397 HydrophobicContact CE2-CD2 3.93Å; F388-L397 HydrophobicContact CZ-CD2 4.08Å; S393-L397 PolarHBondContact O-N 2.96Å; V394-L397 PolarHBondContact O-N 2.89Å; L397-Q399 VanDerWaalsContact C-N 3.29Å; L397-Q399 PolarHBondContact O-N 2.81Å; L397-A400 CarbonylContact O-C 3.47Å; L397-A400 WeakPolarHBondContact O-CA 3.46Å; L397-A400 PolarHBondContact O-N 2.93Å; L397-C401 PolarHBondContact O-N 3.23Å; L397-C401 PolarHBondContact O-SG 2.74Å; L397-F416 HydrophobicContact CD1-CD2 4.11Å; L397-F416 HydrophobicContact CD1-CE2 4.48Å; L397-F416 HydrophobicContact CD1-CG 4.5Å; L397-V430 HydrophobicContact CD2-CG1 4.06Å; L397-V430 HydrophobicContact CG-CG1 4.38Å
398	L	94.2	Very high	86.2	Confident	9 Å²	9	67 Å²	67	5%	0.047	36%	0.361	C	S	.	.	H	α-helix	trans	-64.4	-32.9	-178.5	-65.2	169	0	0	0	112.6	Y336 V394 R395 A400 C401 Y414 V430 P432	Y336-L398 HydrophobicContact CD1-CD1 4.32Å; Y336-L398 HydrophobicContact CD2-CD1 4.15Å; Y336-L398 HydrophobicContact CE1-CD1 3.85Å; Y336-L398 HydrophobicContact CE2-CD1 3.67Å; Y336-L398 HydrophobicContact CG-CD1 4.44Å; Y336-L398 VanDerWaalsContact CZ-CD1 3.49Å; V394-L398 HydrophobicContact CG1-CD1 4.02Å; V394-L398 HydrophobicContact CG1-CG 4.46Å; V394-L398 VanDerWaalsContact O-CG 3.28Å; V394-L398 WeakPolarHBondContact O-CG 3.43Å; V394-L398 PolarHBondContact O-N 2.74Å; R395-L398 PolarHBondContact O-N 3.04Å; L398-A400 VanDerWaalsContact C-N 3.26Å; L398-A400 PolarHBondContact O-N 2.88Å; L398-C401 WeakPolarHBondContact O-CB 3.12Å; L398-C401 PolarHBondContact O-N 3.38Å; L398-Y414 HydrophobicContact CB-CD1 4.43Å; L398-Y414 HydrophobicContact CB-CE1 4.27Å; L398-Y414 HydrophobicContact CD2-CD1 3.96Å; L398-Y414 HydrophobicContact CD2-CD2 3.73Å; L398-Y414 HydrophobicContact CD2-CE1 4.3Å; L398-Y414 HydrophobicContact CD2-CE2 4.07Å; L398-Y414 HydrophobicContact CD2-CG 3.67Å; L398-V430 HydrophobicContact CD2-CG1 3.94Å; L398-P432 HydrophobicContact CD1-CB 3.93Å; L398-P432 HydrophobicContact CD1-CG 3.89Å; L398-P432 HydrophobicContact CD2-CB 4.24Å; L398-P432 HydrophobicContact CD2-CG 3.81Å; L398-P432 HydrophobicContact CG-CG 4.5Å
399	Q	93.5	Very high	84.1	Confident	160 Å²	160	69.8 Å²	69.8	75%	0.748	38%	0.376	S	S	*	.	H	α-helix	trans	-66	-26	171.9	-75.1	169.8	-24.2	0	0	113.4	R395 S396 L397	R395-Q399 VanDerWaalsContact O-CG 3.29Å; R395-Q399 WeakPolarHBondContact O-CG 3.2Å; R395-Q399 PolarHBondContact O-N 2.96Å; S396-Q399 PolarHBondContact O-N 3.48Å; L397-Q399 VanDerWaalsContact C-N 3.29Å; L397-Q399 PolarHBondContact O-N 2.81Å
400	A	94.7	Very high	82	Confident	52 Å²	52	65.5 Å²	65.5	43%	0.43	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	2.3	174.9	0	0	0	0	0	113.6	F361 S396 L397 L398 F416	F361-A400 HydrophobicContact CE1-CB 3.52Å; F361-A400 HydrophobicContact CZ-CB 3.64Å; S396-A400 PolarHBondContact O-N 3.4Å; L397-A400 CarbonylContact O-C 3.47Å; L397-A400 WeakPolarHBondContact O-CA 3.46Å; L397-A400 PolarHBondContact O-N 2.93Å; L398-A400 VanDerWaalsContact C-N 3.26Å; L398-A400 PolarHBondContact O-N 2.88Å; A400-F416 HydrophobicContact CB-CE2 4.41Å
401	C	94.1	Very high	80.3	Confident	8 Å²	8	63.7 Å²	63.7	5%	0.054	36%	0.358	C	S	.	.	S	Bend	trans	-91.1	137.3	175.3	-66	0	0	0	0	111	L397 L398 Y414 Y415	L397-C401 PolarHBondContact O-N 3.23Å; L397-C401 PolarHBondContact O-SG 2.74Å; L398-C401 WeakPolarHBondContact O-CB 3.12Å; L398-C401 PolarHBondContact O-N 3.38Å; C401-Y414 HydrophobicContact CB-CD1 3.97Å; C401-Y414 HydrophobicContact CB-CG 4.42Å; C401-Y415 CarbonylContact C-O 3.25Å; C401-Y415 VanDerWaalsContact CA-O 3.3Å; C401-Y415 WeakPolarHBondContact CA-O 3.42Å; C401-Y415 WeakPolarHBondContact CB-O 3.44Å
402	S	90.8	Very high	78.9	Confident	61 Å²	61	64.1 Å²	64.1	43%	0.427	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	133.4	160.2	45.7	0	0	0	0	108.9	Y415	S402-Y415 PolarHBondContact N-O 3.35Å; S402-Y415 PolarHBondContact O-N 3.4Å; S402-Y415 PolarHBondContact OG-O 2.99Å; S402-Y415 VanDerWaalsContact OG-O 3.04Å
403	H	81.6	Confident	78.3	Confident	93 Å²	93	60 Å²	60	43%	0.431	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	151.1	173.7	59.5	-81.4	0	0	0	108.3	P405 Y414	H403-P405 WeakPolarHBondContact O-CD 3.02Å; H403-Y414 HydrophobicContact CB-CD1 3.81Å; H403-Y414 HydrophobicContact CB-CE1 4.03Å; H403-Y414 HydrophobicContact CB-CG 4.5Å
404	D	67.9	Low	78	Confident	84 Å²	84	61.8 Å²	61.8	45%	0.449	36%	0.355	S	S	.	.			trans	-89.2	112.3	171.7	-175.3	3.2	0	0	0	110	L406	D404-L406 PolarHBondContact O-N 3.06Å; D404-L406 WeakPolarHBondContact OD1-CB 3.31Å; D404-L406 PolarHBondContact OD1-N 2.88Å
405	P	60.4	Low	77.8	Confident	104 Å²	104	65.7 Å²	65.7	68%	0.675	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-9.3	175.9	32.9	-36.3	0	0	0	113.4	H403	H403-P405 WeakPolarHBondContact O-CD 3.02Å
406	L	55.2	Low	77.8	Confident	148 Å²	148	62.9 Å²	62.9	78%	0.775	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	6.8	-177.9	-66.3	166.1	0	0	0	113.4	D404	D404-L406 PolarHBondContact O-N 3.06Å; D404-L406 WeakPolarHBondContact OD1-CB 3.31Å; D404-L406 PolarHBondContact OD1-N 2.88Å
407	S	58.4	Low	77.7	Confident	22 Å²	22	66.5 Å²	66.5	15%	0.154	37%	0.37	C	S	.	.			trans	-58.3	122.1	-178.9	76.1	0	0	0	0	111.5	D409 G410	S407-D409 PolarHBondContact O-N 3.18Å; S407-G410 PolarHBondContact O-N 3.25Å; S407-G410 VanDerWaalsContact O-N 3.11Å
408	P	51.1	Low	77.5	Confident	128 Å²	128	66.8 Å²	66.8	83%	0.831	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-18.9	-169.2	25.6	-34.9	0	0	0	114.1	G410	P408-G410 VanDerWaalsContact C-N 3.31Å
409	D	54.5	Low	77.3	Confident	62 Å²	62	69 Å²	69	33%	0.332	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-1.5	176.5	-52.2	-75.3	0	0	0	113.6	S407 L411 K521	S407-D409 PolarHBondContact O-N 3.18Å; D409-L411 PolarHBondContact O-N 2.88Å; D409-K521 WeakPolarHBondContact OD2-CE 3.4Å; D409-K521 IonicContact OD2-NZ 2.71Å; D409-K521 PolarHBondContact OD2-NZ 3.13Å
410	G	52.1	Low	77	Confident	45 Å²	45	62.4 Å²	62.4	46%	0.464	36%	0.36	S	S	.	.	S	Bend	trans	66.7	3.7	-177.2	0	0	0	0	0	115.4	S407 P408	S407-G410 PolarHBondContact O-N 3.25Å; S407-G410 VanDerWaalsContact O-N 3.11Å; P408-G410 VanDerWaalsContact C-N 3.31Å
411	L	61.8	Low	76.6	Confident	45 Å²	45	69.6 Å²	69.6	24%	0.236	38%	0.376	C	S	.	.			trans	-96.6	92.3	-179.8	-172.6	77.3	0	0	0	109.4	R329 D409 E413 M462	R329-L411 HydrophobicContact CG-CD1 4.46Å; D409-L411 PolarHBondContact O-N 2.88Å; L411-E413 WeakPolarHBondContact O-CG 3.41Å; L411-E413 PolarHBondContact O-N 3.45Å; L411-M462 HydrophobicContact CD2-CE 3.78Å
412	S	66.5	Low	76.3	Confident	49 Å²	49	78.2 Å²	78.2	34%	0.343	41%	0.407	S	S	.	.			trans	-54	107.7	-179.6	-51.8	0	0	0	0	112	Y414	S412-Y414 VanDerWaalsContact O-CD2 3.24Å; S412-Y414 WeakPolarHBondContact O-CD2 3.47Å; S412-Y414 WeakPolarHBondContact O-CE2 3.47Å; S412-Y414 PolarHBondContact O-N 2.88Å
413	E	83.9	Confident	76	Confident	51 Å²	51	78.1 Å²	78.1	24%	0.238	40%	0.401	C	S	.	.			trans	-84.5	111.1	176.9	-56.8	-163.2	-167.8	0	0	109	L411 Y415 Q429 K521	L411-E413 WeakPolarHBondContact O-CG 3.41Å; L411-E413 PolarHBondContact O-N 3.45Å; E413-Y415 HydrophobicContact CB-CE2 3.8Å; E413-Y415 WeakPolarHBondContact O-CD2 3.48Å; E413-Y415 PolarHBondContact OE2-OH 2.86Å; E413-Q429 PolarHBondContact OE2-NE2 3.48Å; E413-K521 IonicContact OE1-NZ 2.85Å; E413-K521 PolarHBondContact OE1-NZ 3.24Å
414	Y	90.9	Very high	76.4	Confident	43 Å²	43	84.3 Å²	84.3	17%	0.169	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	134.9	-177.9	-62.1	-86.8	0	0	0	111	L398 C401 H403 S412 V430 P432	L398-Y414 HydrophobicContact CB-CD1 4.43Å; L398-Y414 HydrophobicContact CB-CE1 4.27Å; L398-Y414 HydrophobicContact CD2-CD1 3.96Å; L398-Y414 HydrophobicContact CD2-CD2 3.73Å; L398-Y414 HydrophobicContact CD2-CE1 4.3Å; L398-Y414 HydrophobicContact CD2-CE2 4.07Å; L398-Y414 HydrophobicContact CD2-CG 3.67Å; C401-Y414 HydrophobicContact CB-CD1 3.97Å; C401-Y414 HydrophobicContact CB-CG 4.42Å; H403-Y414 HydrophobicContact CB-CD1 3.81Å; H403-Y414 HydrophobicContact CB-CE1 4.03Å; H403-Y414 HydrophobicContact CB-CG 4.5Å; S412-Y414 VanDerWaalsContact O-CD2 3.24Å; S412-Y414 WeakPolarHBondContact O-CD2 3.47Å; S412-Y414 WeakPolarHBondContact O-CE2 3.47Å; S412-Y414 PolarHBondContact O-N 2.88Å; Y414-V430 PolarHBondContact O-N 3Å; Y414-P432 HydrophobicContact CD2-CG 4.41Å; Y414-P432 HydrophobicContact CE2-CG 4.42Å
415	Y	94.1	Very high	77.3	Confident	82 Å²	82	84.6 Å²	84.6	32%	0.322	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.1	176.6	-66.3	-89.6	0	0	0	110.7	C401 S402 E413 V428 Q429	C401-Y415 CarbonylContact C-O 3.25Å; C401-Y415 VanDerWaalsContact CA-O 3.3Å; C401-Y415 WeakPolarHBondContact CA-O 3.42Å; C401-Y415 WeakPolarHBondContact CB-O 3.44Å; S402-Y415 PolarHBondContact N-O 3.35Å; S402-Y415 PolarHBondContact O-N 3.4Å; S402-Y415 PolarHBondContact OG-O 2.99Å; S402-Y415 VanDerWaalsContact OG-O 3.04Å; E413-Y415 HydrophobicContact CB-CE2 3.8Å; E413-Y415 WeakPolarHBondContact O-CD2 3.48Å; E413-Y415 PolarHBondContact OE2-OH 2.86Å; Y415-V428 WeakPolarHBondContact CA-O 3.4Å; Y415-Q429 HydrophobicContact CD1-CB 4.23Å; Y415-Q429 HydrophobicContact CD1-CG 4.46Å; Y415-Q429 HydrophobicContact CE1-CB 3.95Å; Y415-Q429 HydrophobicContact CE1-CG 3.96Å
416	F	94.9	Very high	78.8	Confident	29 Å²	29	82.6 Å²	82.6	13%	0.127	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	141.8	176.4	-172.5	-95.8	0	0	0	110.3	T357 F358 F361 L397 A400 M418 E427 V428 V430	T357-F416 HydrophobicContact CG2-CE1 3.63Å; T357-F416 HydrophobicContact CG2-CZ 4.31Å; F358-F416 AromaticContact CE1-CD1 3.62Å; F358-F416 HydrophobicContact CE1-CD1 3.62Å; F358-F416 AromaticContact CE1-CE1 3.75Å; F358-F416 HydrophobicContact CE1-CE1 3.75Å; F358-F416 HydrophobicContact CE1-CG 4.06Å; F358-F416 HydrophobicContact CE1-CZ 4.29Å; F358-F416 AromaticContact CZ-CD1 3.8Å; F358-F416 HydrophobicContact CZ-CD1 3.8Å; F358-F416 HydrophobicContact CZ-CE1 4.1Å; F358-F416 HydrophobicContact CZ-CG 4.5Å; F361-F416 HydrophobicContact CE2-CE2 4.14Å; F361-F416 HydrophobicContact CE2-CZ 4.29Å; F361-F416 AromaticContact CZ-CE2 3.88Å; F361-F416 HydrophobicContact CZ-CE2 3.88Å; F361-F416 HydrophobicContact CZ-CZ 4.32Å; L397-F416 HydrophobicContact CD1-CD2 4.11Å; L397-F416 HydrophobicContact CD1-CE2 4.48Å; L397-F416 HydrophobicContact CD1-CG 4.5Å; A400-F416 HydrophobicContact CB-CE2 4.41Å; F416-M418 HydrophobicContact CD1-CB 4.23Å; F416-M418 HydrophobicContact CE1-CB 4.24Å; F416-E427 WeakPolarHBondContact O-CA 3.5Å; F416-V428 HydrophobicContact CB-CG2 4.11Å; F416-V428 HydrophobicContact CD1-CG2 4.5Å; F416-V428 PolarHBondContact N-O 3.28Å; F416-V428 WeakPolarHBondContact O-CG2 3.27Å; F416-V428 PolarHBondContact O-N 3.29Å; F416-V430 HydrophobicContact CB-CG2 3.81Å
417	K	93.9	Very high	80.5	Confident	122 Å²	122	80.6 Å²	80.6	53%	0.53	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	114.3	179.1	-80.6	172.2	173.7	155.5	0	110.5	E427	K417-E427 HydrophobicContact CD-CG 4.27Å; K417-E427 WeakPolarHBondContact CE-OE1 3.28Å; K417-E427 HydrophobicContact CG-CG 3.72Å; K417-E427 IonicContact NZ-OE1 3.32Å; K417-E427 PolarHBondContact NZ-OE1 2.84Å
418	M	92.1	Very high	82.2	Confident	5 Å²	5	79.5 Å²	79.5	3%	0.025	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	161.1	176.8	73.9	173.7	-56.6	0	0	112.9	P346 I349 L354 T357 F358 F416 C425 K426 V428	P346-M418 HydrophobicContact CG-CG 4.35Å; P346-M418 HydrophobicContact CG-SD 4.48Å; I349-M418 HydrophobicContact CD1-CE 3.65Å; I349-M418 HydrophobicContact CG1-CE 3.8Å; L354-M418 HydrophobicContact CD2-CE 3.92Å; L354-M418 HydrophobicContact CD2-SD 4.28Å; T357-M418 HydrophobicContact CG2-CB 4.18Å; T357-M418 HydrophobicContact CG2-CE 4.48Å; F358-M418 HydrophobicContact CE2-SD 4.49Å; F416-M418 HydrophobicContact CD1-CB 4.23Å; F416-M418 HydrophobicContact CE1-CB 4.24Å; M418-C425 CarbonylContact O-C 3.48Å; M418-C425 WeakPolarHBondContact O-CA 3.22Å; M418-C425 PolarHBondContact O-N 2.81Å; M418-K426 PolarHBondContact N-O 3.35Å; M418-K426 PolarHBondContact O-N 2.66Å; M418-V428 HydrophobicContact CG-CG1 3.85Å; M418-V428 HydrophobicContact CG-CG2 4.06Å; M418-V428 HydrophobicContact SD-CG1 3.91Å; M418-V428 HydrophobicContact SD-CG2 4.03Å
419	S	90	Very high	84.3	Confident	57 Å²	57	76.1 Å²	76.1	40%	0.399	36%	0.361	S	S	.	.			trans	-124.4	145	175.1	-60.7	0	0	0	0	111	M423 C425	S419-M423 CarbonylContact C-O 3.48Å; S419-M423 WeakPolarHBondContact CA-O 3.07Å; S419-C425 PolarHBondContact OG-N 3.2Å
420	S	88.6	Confident	86.2	Confident	21 Å²	21	73.3 Å²	73.3	15%	0.147	35%	0.346	C	S	.	.			trans	-109.4	-162.1	167.4	68.1	0	0	0	0	110	P346 D348 R422 M423	P346-S420 WeakPolarHBondContact CB-OG 3.45Å; D348-S420 WeakPolarHBondContact OD1-CB 3.21Å; D348-S420 PolarHBondContact OD1-OG 3.12Å; D348-S420 WeakPolarHBondContact OD2-CB 3.13Å; D348-S420 PolarHBondContact OD2-OG 3.44Å; D348-S420 VanDerWaalsContact OD2-OG 3.09Å; S420-R422 PolarHBondContact OG-N 3.42Å; S420-M423 PolarHBondContact N-O 2.89Å; S420-M423 PolarHBondContact OG-N 3.08Å; S420-M423 PolarHBondContact OG-O 2.89Å
421	R	86.6	Confident	88.1	Confident	202 Å²	202	74.2 Å²	74.2	76%	0.762	34%	0.339	S	S	*	.	S	Bend	trans	-78.8	-31.1	176.9	-68.9	173.3	-68.7	175.3	-1.9	111.8	D348	D348-R421 PolarHBondContact O-NH2 2.72Å; D348-R421 WeakPolarHBondContact OD2-CA 3.24Å; D348-R421 WeakPolarHBondContact OD2-CB 3.38Å; D348-R421 PolarHBondContact OD2-N 3.28Å
422	R	86.2	Confident	89.7	Confident	190 Å²	190	73.1 Å²	73.1	72%	0.717	34%	0.335	S	S	*	.	S	Bend	trans	-108.6	-21.4	-177.6	-62.5	-174.9	178.4	-150.7	2.5	114.4	D348 S420	D348-R422 PolarHBondContact OD2-N 2.98Å; S420-R422 PolarHBondContact OG-N 3.42Å
423	M	85.8	Confident	91	Very high	59 Å²	59	71.2 Å²	71.2	29%	0.291	32%	0.32	S	S	.	.			trans	-118	121.9	178.2	-52.5	-168.1	75.5	0	0	110.1	P346 S419 S420 K426	P346-M423 HydrophobicContact CB-CB 4.18Å; P346-M423 HydrophobicContact CB-CG 4.26Å; P346-M423 HydrophobicContact CB-SD 4Å; S419-M423 CarbonylContact C-O 3.48Å; S419-M423 WeakPolarHBondContact CA-O 3.07Å; S420-M423 PolarHBondContact N-O 2.89Å; S420-M423 PolarHBondContact OG-N 3.08Å; S420-M423 PolarHBondContact OG-O 2.89Å; M423-K426 HydrophobicContact CE-CD 3.87Å; M423-K426 HydrophobicContact CE-CG 4.4Å; M423-K426 HydrophobicContact SD-CD 3.95Å
424	R	88.4	Confident	91.5	Very high	223 Å²	223	69.2 Å²	69.2	84%	0.842	31%	0.311	S	S	*	.			trans	-99.4	142.5	175.4	-66.8	179.2	-179.7	161.6	-0.1	110.2	K426	R424-K426 PolarHBondContact O-N 2.98Å; R424-K426 VanDerWaalsContact O-N 3.12Å
425	C	87.6	Confident	91.8	Very high	90 Å²	90	69.4 Å²	69.4	61%	0.608	32%	0.315	S	S	*	.	S	Bend	trans	50.9	35.2	172.7	-55.9	0	0	0	0	115	M418 S419 E427	M418-C425 CarbonylContact O-C 3.48Å; M418-C425 WeakPolarHBondContact O-CA 3.22Å; M418-C425 PolarHBondContact O-N 2.81Å; S419-C425 PolarHBondContact OG-N 3.2Å; C425-E427 PolarHBondContact O-N 3.4Å
426	K	91.4	Very high	91.8	Very high	62 Å²	62	69 Å²	69	27%	0.27	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	127.3	175.8	-164.2	-173.4	-172.4	-173.4	0	109.2	G344 V345 P346 M418 M423 R424	G344-K426 WeakPolarHBondContact O-CD 3.19Å; G344-K426 WeakPolarHBondContact O-CE 3.43Å; G344-K426 PolarHBondContact O-NZ 3.29Å; V345-K426 PolarHBondContact O-NZ 2.92Å; P346-K426 HydrophobicContact CB-CD 4.47Å; P346-K426 HydrophobicContact CG-CB 4.3Å; P346-K426 HydrophobicContact CG-CD 3.98Å; M418-K426 PolarHBondContact N-O 3.35Å; M418-K426 PolarHBondContact O-N 2.66Å; M423-K426 HydrophobicContact CE-CD 3.87Å; M423-K426 HydrophobicContact CE-CG 4.4Å; M423-K426 HydrophobicContact SD-CD 3.95Å; R424-K426 PolarHBondContact O-N 2.98Å; R424-K426 VanDerWaalsContact O-N 3.12Å
427	E	92.4	Very high	91.7	Very high	105 Å²	105	68.1 Å²	68.1	49%	0.491	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	127.8	167.2	-74.5	165	153	0	0	109.3	F416 K417 C425	F416-E427 WeakPolarHBondContact O-CA 3.5Å; K417-E427 HydrophobicContact CD-CG 4.27Å; K417-E427 WeakPolarHBondContact CE-OE1 3.28Å; K417-E427 HydrophobicContact CG-CG 3.72Å; K417-E427 IonicContact NZ-OE1 3.32Å; K417-E427 PolarHBondContact NZ-OE1 2.84Å; C425-E427 PolarHBondContact O-N 3.4Å
428	V	93.9	Very high	91.9	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	136.5	175.6	-61.6	0	0	0	0	108.7	L342 G343 V345 Y415 F416 M418	L342-V428 HydrophobicContact CD1-CB 4.22Å; L342-V428 HydrophobicContact CD1-CG2 3.68Å; L342-V428 HydrophobicContact CG-CB 4.44Å; L342-V428 HydrophobicContact CG-CG2 4.23Å; G343-V428 CarbonylContact O-C 3.51Å; G343-V428 WeakPolarHBondContact O-CA 3.48Å; V345-V428 HydrophobicContact CG1-CG1 4.29Å; Y415-V428 WeakPolarHBondContact CA-O 3.4Å; F416-V428 HydrophobicContact CB-CG2 4.11Å; F416-V428 HydrophobicContact CD1-CG2 4.5Å; F416-V428 PolarHBondContact N-O 3.28Å; F416-V428 WeakPolarHBondContact O-CG2 3.27Å; F416-V428 PolarHBondContact O-N 3.29Å; M418-V428 HydrophobicContact CG-CG1 3.85Å; M418-V428 HydrophobicContact CG-CG2 4.06Å; M418-V428 HydrophobicContact SD-CG1 3.91Å; M418-V428 HydrophobicContact SD-CG2 4.03Å
429	Q	93.9	Very high	92.1	Very high	57 Å²	57	66.7 Å²	66.7	27%	0.266	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	127	-175.7	-166.4	-176.6	38	0	0	109.6	L342 G343 E413 Y415 I431	L342-Q429 CarbonylContact C-O 3.57Å; L342-Q429 WeakPolarHBondContact CA-O 3.4Å; G343-Q429 PolarHBondContact N-O 3.16Å; G343-Q429 PolarHBondContact O-N 2.91Å; E413-Q429 PolarHBondContact OE2-NE2 3.48Å; Y415-Q429 HydrophobicContact CD1-CB 4.23Å; Y415-Q429 HydrophobicContact CD1-CG 4.46Å; Y415-Q429 HydrophobicContact CE1-CB 3.95Å; Y415-Q429 HydrophobicContact CE1-CG 3.96Å; Q429-I431 HydrophobicContact CG-CD1 4.48Å; Q429-I431 HydrophobicContact CG-CG1 4.13Å
430	V	94.9	Very high	92.3	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.012	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	114.4	178.9	-177	0	0	0	0	108.1	V340 L342 L397 L398 Y414 F416 P432	V340-V430 HydrophobicContact CG1-CG1 3.64Å; L342-V430 HydrophobicContact CD1-CG2 3.74Å; L397-V430 HydrophobicContact CD2-CG1 4.06Å; L397-V430 HydrophobicContact CG-CG1 4.38Å; L398-V430 HydrophobicContact CD2-CG1 3.94Å; Y414-V430 PolarHBondContact O-N 3Å; F416-V430 HydrophobicContact CB-CG2 3.81Å; V430-P432 WeakPolarHBondContact O-CD 3.38Å
431	I	92.9	Very high	92.6	Very high	65 Å²	65	69.2 Å²	69.2	33%	0.333	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	99.3	178	-53	-178.1	0	0	0	109	F341 Q429	F341-I431 HydrophobicContact CB-CB 4.25Å; F341-I431 HydrophobicContact CD1-CB 4.01Å; F341-I431 HydrophobicContact CD1-CD1 3.79Å; F341-I431 HydrophobicContact CD1-CG1 3.94Å; F341-I431 HydrophobicContact CE1-CD1 3.98Å; F341-I431 PolarHBondContact N-O 2.72Å; F341-I431 PolarHBondContact O-N 2.71Å; Q429-I431 HydrophobicContact CG-CD1 4.48Å; Q429-I431 HydrophobicContact CG-CG1 4.13Å
432	P	94.1	Very high	92.8	Very high	21 Å²	21	66.4 Å²	66.4	14%	0.136	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	157.5	172.6	35.7	-36.8	0	0	0	110.8	Y336 V394 L398 Y414 V430	Y336-P432 HydrophobicContact CD1-CB 3.69Å; Y336-P432 HydrophobicContact CD1-CG 4.24Å; Y336-P432 HydrophobicContact CE1-CB 3.9Å; Y336-P432 HydrophobicContact CE1-CG 3.93Å; Y336-P432 HydrophobicContact CG-CB 4.5Å; V394-P432 HydrophobicContact CG1-CB 4.34Å; L398-P432 HydrophobicContact CD1-CB 3.93Å; L398-P432 HydrophobicContact CD1-CG 3.89Å; L398-P432 HydrophobicContact CD2-CB 4.24Å; L398-P432 HydrophobicContact CD2-CG 3.81Å; L398-P432 HydrophobicContact CG-CG 4.5Å; Y414-P432 HydrophobicContact CD2-CG 4.41Å; Y414-P432 HydrophobicContact CE2-CG 4.42Å; V430-P432 WeakPolarHBondContact O-CD 3.38Å
433	W	95	Very high	92.9	Very high	10 Å²	10	59.4 Å²	59.4	4%	0.038	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130.4	168.4	-173.8	-106.2	0	0	0	110.7	Y336 S337 D437 S438 N464 I484 Y491 P492	Y336-W433 CarbonylContact C-O 3.54Å; Y336-W433 VanDerWaalsContact CA-O 3.23Å; Y336-W433 WeakPolarHBondContact CA-O 3.19Å; S337-W433 PolarHBondContact N-O 3.47Å; W433-D437 HydrophobicContact CD2-CB 4.46Å; W433-D437 HydrophobicContact CH2-CB 3.75Å; W433-D437 HydrophobicContact CZ2-CB 3.4Å; W433-D437 HydrophobicContact CZ3-CB 4.39Å; W433-S438 PolarHBondContact NE1-OG 2.79Å; W433-N464 HydrophobicContact CH2-CB 4.29Å; W433-I484 HydrophobicContact CH2-CG1 4.47Å; W433-I484 HydrophobicContact CZ2-CB 4.46Å; W433-I484 HydrophobicContact CZ2-CG1 4.33Å; W433-I484 HydrophobicContact CZ2-CG2 4.44Å; W433-Y491 HydrophobicContact CB-CD2 3.79Å; W433-Y491 HydrophobicContact CB-CE2 3.66Å; W433-P492 HydrophobicContact CD2-CG 3.38Å; W433-P492 HydrophobicContact CE3-CG 3.56Å; W433-P492 HydrophobicContact CG-CG 4.02Å; W433-P492 HydrophobicContact CH2-CG 3.61Å; W433-P492 HydrophobicContact CZ2-CG 3.47Å; W433-P492 VanDerWaalsContact CZ2-CG 3.47Å; W433-P492 HydrophobicContact CZ3-CG 3.66Å
434	V	94.8	Very high	92.8	Very high	8 Å²	8	62.7 Å²	62.7	5%	0.048	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	128.5	176	-179.2	0	0	0	0	109	Y331 P334 Y336 A436 D437	Y331-V434 HydrophobicContact CD1-CG1 3.96Å; Y331-V434 HydrophobicContact CD2-CG2 4.33Å; Y331-V434 HydrophobicContact CE1-CB 4.05Å; Y331-V434 HydrophobicContact CE1-CG1 3.83Å; Y331-V434 HydrophobicContact CE1-CG2 4.11Å; Y331-V434 HydrophobicContact CE2-CG2 3.88Å; P334-V434 HydrophobicContact CB-CG1 4.04Å; P334-V434 HydrophobicContact CB-CG2 4.22Å; Y336-V434 HydrophobicContact CD1-CG2 3.88Å; Y336-V434 HydrophobicContact CE1-CG2 3.62Å; V434-A436 HydrophobicContact CG1-CB 4.16Å; V434-A436 PolarHBondContact O-N 3.01Å; V434-A436 VanDerWaalsContact O-N 3.08Å; V434-D437 WeakPolarHBondContact O-CB 3.47Å; V434-D437 PolarHBondContact O-N 2.91Å
435	L	95.3	Very high	92.4	Very high	48 Å²	48	57.2 Å²	57.2	25%	0.251	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-63.8	-21.1	-173.6	-61.8	-174.4	0	0	0	114.2	I335 K490	I335-L435 HydrophobicContact CG2-CD1 3.85Å; I335-L435 HydrophobicContact CG2-CG 4.48Å; I335-L435 PolarHBondContact O-N 2.81Å; L435-K490 HydrophobicContact CD1-CD 4.22Å; L435-K490 HydrophobicContact CD2-CB 3.63Å; L435-K490 HydrophobicContact CD2-CD 4Å; L435-K490 HydrophobicContact CD2-CG 4.47Å
436	A	94.1	Very high	92.1	Very high	73 Å²	73	56.5 Å²	56.5	60%	0.603	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-69.6	-31	173.8	0	0	0	0	0	112.8	V434 S438 N439	V434-A436 HydrophobicContact CG1-CB 4.16Å; V434-A436 PolarHBondContact O-N 3.01Å; V434-A436 VanDerWaalsContact O-N 3.08Å; A436-S438 PolarHBondContact O-N 2.85Å; A436-S438 VanDerWaalsContact O-N 3.12Å; A436-N439 PolarHBondContact O-N 3.34Å
437	D	94.8	Very high	91.8	Very high	10 Å²	10	64.5 Å²	64.5	5%	0.053	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-64.1	-18.5	-179.8	-83.1	-25.6	0	0	0	113.2	R329 Y331 W433 V434 N439 N464 A465	R329-D437 IonicContact CZ-OD2 3.22Å; R329-D437 IonicContact NH1-OD1 3.74Å; R329-D437 IonicContact NH1-OD2 3.9Å; R329-D437 PolarHBondContact NH1-OD2 3.37Å; Y331-D437 PolarHBondContact OH-OD1 2.94Å; Y331-D437 PolarHBondContact OH-OD2 3.05Å; W433-D437 HydrophobicContact CD2-CB 4.46Å; W433-D437 HydrophobicContact CH2-CB 3.75Å; W433-D437 HydrophobicContact CZ2-CB 3.4Å; W433-D437 HydrophobicContact CZ3-CB 4.39Å; V434-D437 WeakPolarHBondContact O-CB 3.47Å; V434-D437 PolarHBondContact O-N 2.91Å; D437-N439 VanDerWaalsContact C-N 3.34Å; D437-N439 PolarHBondContact O-N 3.19Å; D437-N464 HydrophobicContact CB-CB 3.55Å; D437-N464 VanDerWaalsContact CG-CB 3.48Å; D437-N464 WeakPolarHBondContact OD1-CB 3.25Å; D437-N464 PolarHBondContact OD1-ND2 2.89Å; D437-A465 VanDerWaalsContact O-CB 3.29Å; D437-A465 WeakPolarHBondContact O-CB 3.09Å; D437-A465 PolarHBondContact O-N 3.33Å
438	S	96.7	Very high	91.7	Very high	7 Å²	7	63.4 Å²	63.4	5%	0.049	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-73.5	-17.6	-177	-60.6	0	0	0	0	114.4	W433 A436 G483 I484	W433-S438 PolarHBondContact NE1-OG 2.79Å; A436-S438 PolarHBondContact O-N 2.85Å; A436-S438 VanDerWaalsContact O-N 3.12Å; S438-G483 CarbonylContact O-C 3.56Å; S438-G483 WeakPolarHBondContact O-CA 3.48Å; S438-I484 PolarHBondContact O-N 2.89Å
439	N	95.8	Very high	91.5	Very high	91 Å²	91	65.3 Å²	65.3	49%	0.487	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	132.3	-177.2	-71.1	-87.5	0	0	0	112.7	A436 D437 Y481	A436-N439 PolarHBondContact O-N 3.34Å; D437-N439 VanDerWaalsContact C-N 3.34Å; D437-N439 PolarHBondContact O-N 3.19Å; N439-Y481 HydrophobicContact CB-CE2 4.41Å; N439-Y481 WeakPolarHBondContact OD1-CE2 3.45Å; N439-Y481 PolarHBondContact OD1-OH 3.09Å
440	F	95.8	Very high	91.2	Very high	55 Å²	55	65 Å²	65	24%	0.241	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.8	171.1	171.8	-90	0	0	0	109.5	R442 A465 E466 A469 Y481 A482	F440-R442 HydrophobicContact CE1-CB 4.14Å; F440-R442 HydrophobicContact CZ-CB 4.48Å; F440-A465 HydrophobicContact CB-CB 3.82Å; F440-E466 HydrophobicContact CB-CB 4.49Å; F440-E466 HydrophobicContact CD2-CB 3.88Å; F440-E466 HydrophobicContact CD2-CG 3.88Å; F440-E466 HydrophobicContact CE2-CG 4.11Å; F440-E466 HydrophobicContact CG-CB 4.46Å; F440-A469 HydrophobicContact CB-CB 4.45Å; F440-A469 HydrophobicContact CD1-CB 3.33Å; F440-A469 HydrophobicContact CE1-CB 3.66Å; F440-A469 HydrophobicContact CG-CB 3.94Å; F440-A469 HydrophobicContact CZ-CB 4.47Å; F440-Y481 WeakPolarHBondContact O-CA 3.12Å; F440-Y481 WeakPolarHBondContact O-CD2 3.37Å; F440-A482 PolarHBondContact N-O 2.94Å; F440-A482 PolarHBondContact O-N 2.88Å
441	V	94.6	Very high	91.1	Very high	75 Å²	75	67.8 Å²	67.8	46%	0.455	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	117.6	179.6	-176.5	0	0	0	0	108.9	Y481	V441-Y481 HydrophobicContact CG2-CD2 3.96Å; V441-Y481 HydrophobicContact CG2-CE2 4.38Å
442	R	91.1	Very high	91.2	Very high	143 Å²	143	68.6 Å²	68.6	54%	0.54	37%	0.367	S	S	.	.	S	Bend	trans	-73.4	-28.5	-178.5	-168.5	175.6	-171.4	150.4	5.7	113.5	F440 N473 V479 V480	F440-R442 HydrophobicContact CE1-CB 4.14Å; F440-R442 HydrophobicContact CZ-CB 4.48Å; R442-N473 PolarHBondContact NH1-OD1 2.9Å; R442-V479 VanDerWaalsContact CD-O 3.3Å; R442-V479 WeakPolarHBondContact CD-O 3.31Å; R442-V479 PolarHBondContact NH1-O 3.35Å; R442-V479 VanDerWaalsContact NH1-O 3.08Å; R442-V480 WeakPolarHBondContact CB-O 3.46Å; R442-V480 PolarHBondContact N-O 2.66Å
443	S	88.4	Confident	91.4	Very high	44 Å²	44	68 Å²	68	31%	0.308	36%	0.364	S	S	.	.			trans	-151.9	114.2	176.5	-176.3	0	0	0	0	109.9	S445 Q446	S443-S445 PolarHBondContact O-N 3.15Å; S443-S445 VanDerWaalsContact O-N 3.11Å; S443-S445 PolarHBondContact OG-OG 2.79Å; S443-Q446 WeakPolarHBondContact O-CB 3.43Å; S443-Q446 PolarHBondContact O-N 3.49Å
444	P	82.6	Confident	91.5	Very high	128 Å²	128	67.6 Å²	67.6	83%	0.831	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.1	-175.5	-27.9	36.3	0	0	0	115.4	Q446	P444-Q446 VanDerWaalsContact C-N 3.35Å
445	S	81.4	Confident	91.6	Very high	107 Å²	107	70.2 Å²	70.2	75%	0.748	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-8.8	177	50.1	0	0	0	0	114	S443 R447	S443-S445 PolarHBondContact O-N 3.15Å; S443-S445 VanDerWaalsContact O-N 3.11Å; S443-S445 PolarHBondContact OG-OG 2.79Å; S445-R447 PolarHBondContact O-N 2.67Å
446	Q	80.1	Confident	91.7	Very high	75 Å²	75	67.9 Å²	67.9	35%	0.35	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-81.1	117.5	-175.6	-176.8	156.2	5.9	0	0	111.8	S443 P444 L448 V480	S443-Q446 WeakPolarHBondContact O-CB 3.43Å; S443-Q446 PolarHBondContact O-N 3.49Å; P444-Q446 VanDerWaalsContact C-N 3.35Å; Q446-L448 PolarHBondContact O-N 2.87Å; Q446-V480 VanDerWaalsContact OE1-CG1 3.27Å
447	R	85.1	Confident	91.8	Very high	231 Å²	231	64.8 Å²	64.8	87%	0.872	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-65.4	131.5	169	-65.9	-174.6	179.1	-171.8	-0.4	109.9	S445	S445-R447 PolarHBondContact O-N 2.67Å
448	L	90.6	Very high	91.8	Very high	81 Å²	81	66.3 Å²	66.3	42%	0.424	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-82.1	148.7	174.8	-52.6	-174.5	0	0	0	110.2	Q446 Y481 T499	Q446-L448 PolarHBondContact O-N 2.87Å; L448-Y481 HydrophobicContact CD1-CD1 3.62Å; L448-Y481 HydrophobicContact CD1-CD2 4.01Å; L448-Y481 HydrophobicContact CD1-CE1 4.08Å; L448-Y481 HydrophobicContact CD1-CE2 4.44Å; L448-Y481 HydrophobicContact CD1-CG 3.57Å; L448-Y481 HydrophobicContact CD2-CG 4.12Å; L448-T499 HydrophobicContact CB-CG2 4.43Å; L448-T499 HydrophobicContact CD2-CG2 4.4Å
449	D	88.8	Confident	91.7	Very high	41 Å²	41	66.8 Å²	66.8	22%	0.219	35%	0.352	C	S	.	.			trans	-127.5	113.3	-176	-177.8	-12.7	0	0	0	109.5	S451 R452 T453	D449-S451 PolarHBondContact O-N 3.34Å; D449-S451 WeakPolarHBondContact OD1-CB 3.31Å; D449-S451 PolarHBondContact OD1-N 2.59Å; D449-S451 PolarHBondContact OD1-OG 3.03Å; D449-S451 PolarHBondContact OD2-OG 3.44Å; D449-R452 HydrophobicContact CB-CB 4.45Å; D449-R452 CarbonylContact O-C 3.52Å; D449-R452 PolarHBondContact O-N 2.94Å; D449-R452 VanDerWaalsContact O-N 3.11Å; D449-R452 IonicContact OD2-CZ 3.8Å; D449-R452 IonicContact OD2-NE 3.83Å; D449-R452 PolarHBondContact OD2-NE 3.08Å; D449-R452 IonicContact OD2-NH2 3.67Å; D449-R452 PolarHBondContact OD2-NH2 3.23Å; D449-T453 PolarHBondContact O-N 2.71Å; D449-T453 PolarHBondContact O-OG1 2.94Å
450	P	89.4	Confident	91.6	Very high	49 Å²	49	64.9 Å²	64.9	32%	0.318	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-55.4	-35.6	177	-27.6	36.7	0	0	0	113.6	R452 T453 Y531 E533	P450-R452 PolarHBondContact O-N 3.41Å; P450-R452 VanDerWaalsContact O-N 3.15Å; P450-T453 WeakPolarHBondContact O-CB 3.36Å; P450-T453 PolarHBondContact O-N 2.88Å; P450-Y531 HydrophobicContact CB-CD1 4.36Å; P450-E533 HydrophobicContact CB-CG 4.07Å; P450-E533 WeakPolarHBondContact CB-OE1 3.42Å; P450-E533 WeakPolarHBondContact CB-OE2 3.34Å; P450-E533 VanDerWaalsContact CG-OE1 3.3Å; P450-E533 WeakPolarHBondContact CG-OE1 3.29Å
451	S	91.9	Very high	91.3	Very high	61 Å²	61	65.2 Å²	65.2	43%	0.427	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-67.6	-15.5	-179.3	73.6	0	0	0	0	114	D449	D449-S451 PolarHBondContact O-N 3.34Å; D449-S451 WeakPolarHBondContact OD1-CB 3.31Å; D449-S451 PolarHBondContact OD1-N 2.59Å; D449-S451 PolarHBondContact OD1-OG 3.03Å; D449-S451 PolarHBondContact OD2-OG 3.44Å
452	R	95.4	Very high	91	Very high	82 Å²	82	64 Å²	64	31%	0.309	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-112.9	16.9	173.6	-72	175.9	-82	175.1	-6.4	112.5	D449 P450 F500 N501 Q503	D449-R452 HydrophobicContact CB-CB 4.45Å; D449-R452 CarbonylContact O-C 3.52Å; D449-R452 PolarHBondContact O-N 2.94Å; D449-R452 VanDerWaalsContact O-N 3.11Å; D449-R452 IonicContact OD2-CZ 3.8Å; D449-R452 IonicContact OD2-NE 3.83Å; D449-R452 PolarHBondContact OD2-NE 3.08Å; D449-R452 IonicContact OD2-NH2 3.67Å; D449-R452 PolarHBondContact OD2-NH2 3.23Å; P450-R452 PolarHBondContact O-N 3.41Å; P450-R452 VanDerWaalsContact O-N 3.15Å; R452-F500 WeakPolarHBondContact CB-O 3.41Å; R452-F500 PolarHBondContact O-N 3.17Å; R452-N501 PolarHBondContact NH1-O 3.3Å; R452-Q503 VanDerWaalsContact CG-OE1 3.26Å
453	T	97.1	Very high	91.1	Very high	10 Å²	10	57.4 Å²	57.4	6%	0.061	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	133.2	-179.9	-59.9	0	0	0	0	111.2	D449 P450 R497 V498 T499 Y506 Y531	D449-T453 PolarHBondContact O-N 2.71Å; D449-T453 PolarHBondContact O-OG1 2.94Å; P450-T453 WeakPolarHBondContact O-CB 3.36Å; P450-T453 PolarHBondContact O-N 2.88Å; T453-R497 HydrophobicContact CG2-CB 4.19Å; T453-V498 CarbonylContact C-O 3.58Å; T453-V498 WeakPolarHBondContact CA-O 3.48Å; T453-T499 WeakPolarHBondContact OG1-CB 3.32Å; T453-T499 WeakPolarHBondContact OG1-CG2 3.32Å; T453-T499 PolarHBondContact OG1-OG1 3.13Å; T453-Y506 WeakPolarHBondContact O-CE2 3.36Å; T453-Y531 HydrophobicContact CG2-CD1 4.43Å; T453-Y531 HydrophobicContact CG2-CG 4.16Å; T453-Y531 WeakPolarHBondContact O-CB 3.49Å; T453-Y531 PolarHBondContact O-N 3.08Å; T453-Y531 VanDerWaalsContact O-N 3.12Å
454	V	97.5	Very high	91.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	147.5	170.4	-61	0	0	0	0	110.8	V456 R497 V498 F500 Y506 A509 V510 I528 D529	V454-V456 HydrophobicContact CG2-CG2 4.09Å; V454-R497 CarbonylContact O-C 3.57Å; V454-R497 VanDerWaalsContact O-CA 3.29Å; V454-R497 WeakPolarHBondContact O-CA 3.41Å; V454-V498 HydrophobicContact CG2-CB 3.99Å; V454-V498 PolarHBondContact N-O 3.3Å; V454-V498 PolarHBondContact O-N 2.95Å; V454-F500 HydrophobicContact CG1-CE2 4Å; V454-F500 HydrophobicContact CG2-CE2 3.87Å; V454-Y506 HydrophobicContact CG1-CD2 3.71Å; V454-Y506 HydrophobicContact CG1-CE2 3.91Å; V454-A509 HydrophobicContact CG1-CB 4.35Å; V454-V510 HydrophobicContact CG1-CG2 3.67Å; V454-I528 HydrophobicContact CB-CG2 3.76Å; V454-I528 HydrophobicContact CG1-CG2 3.97Å; V454-I528 HydrophobicContact CG2-CG2 3.91Å; V454-D529 CarbonylContact C-O 3.34Å; V454-D529 WeakPolarHBondContact CA-O 3.48Å; V454-D529 WeakPolarHBondContact CB-O 3.23Å
455	F	97.4	Very high	92.1	Very high	63 Å²	63	49.4 Å²	49.4	28%	0.276	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	141.3	161.3	176.5	-103.6	0	0	0	109.1	S495 R497 I528 D529	F455-S495 VanDerWaalsContact CE2-CB 3.49Å; F455-S495 VanDerWaalsContact CZ-CB 3.47Å; F455-R497 HydrophobicContact CD2-CG 4.49Å; F455-I528 WeakPolarHBondContact O-CA 3.49Å; F455-D529 HydrophobicContact CD1-CB 4.42Å; F455-D529 PolarHBondContact N-O 3.13Å; F455-D529 PolarHBondContact O-N 3.42Å
456	V	97.4	Very high	92.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	115.6	175.6	-165.5	0	0	0	0	109.4	V454 L459 L468 L472 S495 G496 V498 V526 Q527 I528	V454-V456 HydrophobicContact CG2-CG2 4.09Å; V456-L459 HydrophobicContact CB-CD2 4.23Å; V456-L459 HydrophobicContact CG1-CD2 3.56Å; V456-L459 HydrophobicContact CG1-CG 4.44Å; V456-L468 HydrophobicContact CG1-CD1 4.35Å; V456-L472 HydrophobicContact CG2-CD1 4.14Å; V456-S495 CarbonylContact O-C 3.59Å; V456-S495 WeakPolarHBondContact O-CA 3.14Å; V456-S495 WeakPolarHBondContact O-CB 3.07Å; V456-G496 PolarHBondContact N-O 2.89Å; V456-G496 PolarHBondContact O-N 2.89Å; V456-V498 HydrophobicContact CG2-CG2 4.18Å; V456-V526 HydrophobicContact CG1-CB 4.23Å; V456-V526 HydrophobicContact CG1-CG2 4.21Å; V456-Q527 CarbonylContact C-O 3.59Å; V456-Q527 VanDerWaalsContact CA-O 3.25Å; V456-Q527 WeakPolarHBondContact CA-O 3.4Å; V456-I528 HydrophobicContact CG1-CG1 4.38Å
457	G	95.4	Very high	93.6	Very high	8 Å²	8	44.9 Å²	44.9	8%	0.082	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	167.6	179.6	0	0	0	0	0	113.6	L459 Q527	G457-L459 VanDerWaalsContact C-N 3.26Å; G457-L459 PolarHBondContact O-N 2.67Å; G457-Q527 PolarHBondContact N-O 3.33Å; G457-Q527 PolarHBondContact O-N 2.76Å
458	A	94.4	Very high	94.2	Very high	42 Å²	42	33.9 Å²	33.9	35%	0.347	20%	0.197	S	C	.	.	S	Bend	trans	59.8	28.7	-180	0	0	0	0	0	114.9	A313 G494	A313-A458 HydrophobicContact CB-CB 3.99Å; A458-G494 PolarHBondContact N-O 3.31Å
459	L	95.8	Very high	94.5	Very high	17 Å²	17	30.2 Å²	30.2	9%	0.089	18%	0.178	C	C	.	.			trans	-58.3	140.1	177.7	-63.8	-176.8	0	0	0	111.5	V456 G457 L463 L468 I484 G494 S495 V526	V456-L459 HydrophobicContact CB-CD2 4.23Å; V456-L459 HydrophobicContact CG1-CD2 3.56Å; V456-L459 HydrophobicContact CG1-CG 4.44Å; G457-L459 VanDerWaalsContact C-N 3.26Å; G457-L459 PolarHBondContact O-N 2.67Å; L459-L463 HydrophobicContact CB-CD1 4.5Å; L459-L463 HydrophobicContact CD2-CD1 4.05Å; L459-L468 HydrophobicContact CD1-CD2 4.01Å; L459-L468 HydrophobicContact CD2-CD1 3.95Å; L459-L468 HydrophobicContact CD2-CD2 4.34Å; L459-I484 HydrophobicContact CD1-CD1 3.82Å; L459-G494 PolarHBondContact N-O 2.91Å; L459-S495 VanDerWaalsContact CD1-C 3.46Å; L459-V526 HydrophobicContact CD2-CB 4.47Å; L459-V526 HydrophobicContact CD2-CG1 4.07Å
460	H	93	Very high	94.9	Very high	50 Å²	50	30.2 Å²	30.2	23%	0.231	18%	0.184	C	C	.	.			trans	-74.8	143.2	172.4	-164.8	-117.6	0	0	0	111	M462 L463 F522 K524	H460-M462 PolarHBondContact O-N 3.02Å; H460-L463 HydrophobicContact CB-CD1 4.38Å; H460-L463 HydrophobicContact CB-CG 4.45Å; H460-L463 WeakPolarHBondContact O-CB 3.39Å; H460-L463 PolarHBondContact O-N 3.37Å; H460-F522 HydrophobicContact CB-CD2 3.87Å; H460-F522 HydrophobicContact CB-CE2 3.62Å; H460-F522 HydrophobicContact CB-CG 4.46Å; H460-F522 HydrophobicContact CB-CZ 4.01Å; H460-F522 AromaticContact CE1-CD1 3.66Å; H460-F522 AromaticContact CE1-CG 3.48Å; H460-F522 VanDerWaalsContact CE1-CG 3.48Å; H460-F522 WeakPolarHBondContact CE1-CG 3.33Å; H460-F522 AromaticContact CG-CD2 3.62Å; H460-F522 AromaticContact CG-CE2 3.86Å; H460-F522 AromaticContact CG-CG 3.79Å; H460-F522 AromaticContact ND1-CD1 3.19Å; H460-F522 WeakPolarHBondContact ND1-CD1 3.42Å; H460-F522 AromaticContact ND1-CD2 3.49Å; H460-F522 WeakPolarHBondContact ND1-CD2 3.33Å; H460-F522 AromaticContact ND1-CE1 3.55Å; H460-F522 AromaticContact ND1-CE2 3.82Å; H460-F522 AromaticContact ND1-CG 3.17Å; H460-F522 WeakPolarHBondContact ND1-CG 3.09Å; H460-F522 AromaticContact ND1-CZ 3.85Å; H460-K524 HydrophobicContact CB-CB 4.16Å; H460-K524 HydrophobicContact CB-CG 4.24Å
461	G	89.8	Confident	95.3	Very high	63 Å²	63	28 Å²	28	65%	0.649	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-8.2	-177.6	0	0	0	0	0	115.5
462	M	88.9	Confident	95.6	Very high	49 Å²	49	25.1 Å²	25.1	24%	0.241	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-1.7	174.4	-56.2	-173.5	81.5	0	0	113.9	R329 L411 H460 K521 F522	R329-M462 PolarHBondContact NH2-O 3.27Å; L411-M462 HydrophobicContact CD2-CE 3.78Å; H460-M462 PolarHBondContact O-N 3.02Å; M462-K521 HydrophobicContact CE-CB 4.26Å; M462-K521 HydrophobicContact CE-CD 3.74Å; M462-K521 HydrophobicContact SD-CB 4.12Å; M462-F522 HydrophobicContact CB-CD1 4.15Å; M462-F522 HydrophobicContact CB-CE1 3.81Å; M462-F522 HydrophobicContact CG-CD1 4.48Å; M462-F522 HydrophobicContact SD-CD1 3.98Å
463	L	93.6	Very high	95.6	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.021	15%	0.148	C	C	.	.			trans	-88	123.6	174.3	-67.4	172	0	0	0	110.5	L326 L459 H460 A467 I471 I517 F522	L326-L463 HydrophobicContact CD1-CD2 4.2Å; L326-L463 HydrophobicContact CD2-CD2 4.29Å; L459-L463 HydrophobicContact CB-CD1 4.5Å; L459-L463 HydrophobicContact CD2-CD1 4.05Å; H460-L463 HydrophobicContact CB-CD1 4.38Å; H460-L463 HydrophobicContact CB-CG 4.45Å; H460-L463 WeakPolarHBondContact O-CB 3.39Å; H460-L463 PolarHBondContact O-N 3.37Å; L463-A467 HydrophobicContact CD2-CB 4.14Å; L463-I471 HydrophobicContact CD2-CD1 3.81Å; L463-I517 HydrophobicContact CD1-CD1 3.79Å; L463-F522 HydrophobicContact CD2-CZ 3.97Å; L463-F522 HydrophobicContact CG-CZ 4.02Å
464	N	94.6	Very high	95.7	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	18%	0.175	C	C	.	.			trans	-97.9	173.4	163.4	66.1	-4.5	0	0	0	110.4	W433 D437 E466 A467 L468	W433-N464 HydrophobicContact CH2-CB 4.29Å; D437-N464 HydrophobicContact CB-CB 3.55Å; D437-N464 VanDerWaalsContact CG-CB 3.48Å; D437-N464 WeakPolarHBondContact OD1-CB 3.25Å; D437-N464 PolarHBondContact OD1-ND2 2.89Å; N464-E466 VanDerWaalsContact C-N 3.28Å; N464-E466 PolarHBondContact O-N 2.91Å; N464-A467 PolarHBondContact O-N 2.83Å; N464-A467 WeakPolarHBondContact OD1-CB 3.37Å; N464-A467 PolarHBondContact OD1-N 2.93Å; N464-L468 WeakPolarHBondContact O-CB 3.44Å; N464-L468 PolarHBondContact O-N 2.95Å
465	A	97.2	Very high	95.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.6	-35.9	-179.8	0	0	0	0	0	112.8	D437 F440 L468 A469 A482 I484	D437-A465 VanDerWaalsContact O-CB 3.29Å; D437-A465 WeakPolarHBondContact O-CB 3.09Å; D437-A465 PolarHBondContact O-N 3.33Å; F440-A465 HydrophobicContact CB-CB 3.82Å; A465-L468 PolarHBondContact O-N 2.95Å; A465-A469 VanDerWaalsContact O-CB 3.31Å; A465-A469 WeakPolarHBondContact O-CB 3.38Å; A465-A469 PolarHBondContact O-N 3.42Å; A465-A482 HydrophobicContact CB-CB 4.32Å; A465-A482 WeakPolarHBondContact CB-O 3.41Å; A465-A482 VanDerWaalsContact O-CB 3.31Å; A465-A482 WeakPolarHBondContact O-CB 3.44Å; A465-I484 HydrophobicContact CB-CG1 4.21Å
466	E	95.6	Very high	95.7	Very high	87 Å²	87	27.8 Å²	27.8	41%	0.407	17%	0.171	S	C	.	.	H	α-helix	trans	-66.9	-47.7	178.2	-178	171.5	-139.8	0	0	112.1	P327 F440 N464 L468 A469 A470	P327-E466 HydrophobicContact CB-CG 4.32Å; P327-E466 HydrophobicContact CG-CG 4.32Å; F440-E466 HydrophobicContact CB-CB 4.49Å; F440-E466 HydrophobicContact CD2-CB 3.88Å; F440-E466 HydrophobicContact CD2-CG 3.88Å; F440-E466 HydrophobicContact CE2-CG 4.11Å; F440-E466 HydrophobicContact CG-CB 4.46Å; N464-E466 VanDerWaalsContact C-N 3.28Å; N464-E466 PolarHBondContact O-N 2.91Å; E466-L468 VanDerWaalsContact C-N 3.34Å; E466-L468 PolarHBondContact O-N 3.27Å; E466-A469 PolarHBondContact O-N 3.48Å; E466-A470 WeakPolarHBondContact O-CB 3.3Å; E466-A470 PolarHBondContact O-N 3.23Å
467	A	95.9	Very high	95.7	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.3	-44.7	173.7	0	0	0	0	0	111.7	L326 L463 N464 A469 A470 I471	L326-A467 HydrophobicContact CB-CB 4.48Å; L326-A467 HydrophobicContact CD1-CB 4.41Å; L326-A467 HydrophobicContact CD2-CB 4.22Å; L463-A467 HydrophobicContact CD2-CB 4.14Å; N464-A467 PolarHBondContact O-N 2.83Å; N464-A467 WeakPolarHBondContact OD1-CB 3.37Å; N464-A467 PolarHBondContact OD1-N 2.93Å; A467-A469 VanDerWaalsContact C-N 3.33Å; A467-A469 PolarHBondContact O-N 3Å; A467-A470 PolarHBondContact O-N 2.7Å; A467-I471 WeakPolarHBondContact O-CB 3.22Å; A467-I471 WeakPolarHBondContact O-CD1 3.36Å; A467-I471 WeakPolarHBondContact O-CG1 3.28Å; A467-I471 PolarHBondContact O-N 2.98Å
468	L	97.7	Very high	95.7	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-62.5	-40	177.4	-176.8	61.4	0	0	0	111.9	V456 L459 N464 A465 E466 L472 I484 V498	V456-L468 HydrophobicContact CG1-CD1 4.35Å; L459-L468 HydrophobicContact CD1-CD2 4.01Å; L459-L468 HydrophobicContact CD2-CD1 3.95Å; L459-L468 HydrophobicContact CD2-CD2 4.34Å; N464-L468 WeakPolarHBondContact O-CB 3.44Å; N464-L468 PolarHBondContact O-N 2.95Å; A465-L468 PolarHBondContact O-N 2.95Å; E466-L468 VanDerWaalsContact C-N 3.34Å; E466-L468 PolarHBondContact O-N 3.27Å; L468-L472 HydrophobicContact CD1-CD1 3.63Å; L468-L472 HydrophobicContact CD1-CG 4.3Å; L468-L472 HydrophobicContact CG-CD1 4.06Å; L468-L472 WeakPolarHBondContact O-CB 3.38Å; L468-L472 WeakPolarHBondContact O-CG 3.14Å; L468-L472 PolarHBondContact O-N 3.42Å; L468-I484 HydrophobicContact CD2-CD1 4.02Å; L468-V498 HydrophobicContact CD2-CG2 3.79Å; L468-V498 HydrophobicContact CG-CG2 3.86Å
469	A	97.6	Very high	95.8	Very high	3 Å²	3	27.4 Å²	27.4	3%	0.025	17%	0.171	C	C	.	.	H	α-helix	trans	-66.1	-42.3	174.8	0	0	0	0	0	112.4	F440 A465 E466 A467 N473 V479 A482	F440-A469 HydrophobicContact CB-CB 4.45Å; F440-A469 HydrophobicContact CD1-CB 3.33Å; F440-A469 HydrophobicContact CE1-CB 3.66Å; F440-A469 HydrophobicContact CG-CB 3.94Å; F440-A469 HydrophobicContact CZ-CB 4.47Å; A465-A469 VanDerWaalsContact O-CB 3.31Å; A465-A469 WeakPolarHBondContact O-CB 3.38Å; A465-A469 PolarHBondContact O-N 3.42Å; E466-A469 PolarHBondContact O-N 3.48Å; A467-A469 VanDerWaalsContact C-N 3.33Å; A467-A469 PolarHBondContact O-N 3Å; A469-N473 WeakPolarHBondContact O-CB 3.14Å; A469-N473 PolarHBondContact O-N 2.96Å; A469-V479 HydrophobicContact CB-CG1 3.94Å; A469-A482 HydrophobicContact CB-CB 3.81Å
470	A	97	Very high	95.9	Very high	42 Å²	42	26.8 Å²	26.8	35%	0.347	17%	0.168	S	C	.	.	H	α-helix	trans	-62.1	-52.5	178.2	0	0	0	0	0	111.4	P327 E466 A467 L472 N473 D474	P327-A470 HydrophobicContact CG-CB 4.21Å; E466-A470 WeakPolarHBondContact O-CB 3.3Å; E466-A470 PolarHBondContact O-N 3.23Å; A467-A470 PolarHBondContact O-N 2.7Å; A470-L472 PolarHBondContact O-N 3.03Å; A470-N473 PolarHBondContact O-N 3.5Å; A470-D474 WeakPolarHBondContact O-CB 3.19Å; A470-D474 PolarHBondContact O-N 2.84Å
471	I	97.7	Very high	96.1	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-56.3	-47	179.6	-68.4	166.3	0	0	0	111.4	W322 L326 L463 A467 D474 L475 I517	W322-I471 HydrophobicContact CB-CG2 4.04Å; W322-I471 HydrophobicContact CD2-CB 4.35Å; W322-I471 HydrophobicContact CD2-CG1 3.77Å; W322-I471 HydrophobicContact CD2-CG2 4.07Å; W322-I471 HydrophobicContact CE3-CD1 4.09Å; W322-I471 HydrophobicContact CE3-CG1 3.81Å; W322-I471 HydrophobicContact CE3-CG2 4.49Å; W322-I471 HydrophobicContact CG-CG1 4.43Å; W322-I471 HydrophobicContact CG-CG2 3.86Å; W322-I471 HydrophobicContact CH2-CD1 4.45Å; W322-I471 HydrophobicContact CH2-CG1 3.96Å; W322-I471 HydrophobicContact CZ2-CG1 3.95Å; W322-I471 HydrophobicContact CZ3-CD1 4.05Å; W322-I471 HydrophobicContact CZ3-CG1 3.89Å; L326-I471 HydrophobicContact CD2-CD1 4.02Å; L463-I471 HydrophobicContact CD2-CD1 3.81Å; A467-I471 WeakPolarHBondContact O-CB 3.22Å; A467-I471 WeakPolarHBondContact O-CD1 3.36Å; A467-I471 WeakPolarHBondContact O-CG1 3.28Å; A467-I471 PolarHBondContact O-N 2.98Å; I471-D474 PolarHBondContact O-N 2.87Å; I471-L475 HydrophobicContact CG2-CD1 4.24Å; I471-L475 WeakPolarHBondContact O-CG 3.43Å; I471-L475 PolarHBondContact O-N 2.77Å; I471-I517 HydrophobicContact CD1-CD1 4.08Å; I471-I517 HydrophobicContact CD1-CG1 4.45Å; I471-I517 HydrophobicContact CD1-CG2 3.93Å; I471-I517 HydrophobicContact CG2-CD1 4.29Å; I471-I517 HydrophobicContact CG2-CG1 4.24Å
472	L	97.9	Very high	96.5	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-79.7	-24.5	-177.5	-64.5	171.6	0	0	0	112.8	V456 L468 A470 L475 F476 V479 V498 I528	V456-L472 HydrophobicContact CG2-CD1 4.14Å; L468-L472 HydrophobicContact CD1-CD1 3.63Å; L468-L472 HydrophobicContact CD1-CG 4.3Å; L468-L472 HydrophobicContact CG-CD1 4.06Å; L468-L472 WeakPolarHBondContact O-CB 3.38Å; L468-L472 WeakPolarHBondContact O-CG 3.14Å; L468-L472 PolarHBondContact O-N 3.42Å; A470-L472 PolarHBondContact O-N 3.03Å; L472-L475 HydrophobicContact CD2-CD1 4.5Å; L472-F476 HydrophobicContact CB-CD2 4.35Å; L472-F476 HydrophobicContact CD2-CD2 3.71Å; L472-F476 HydrophobicContact CD2-CE2 3.52Å; L472-F476 WeakPolarHBondContact O-CB 3.17Å; L472-F476 PolarHBondContact O-N 2.95Å; L472-V479 HydrophobicContact CB-CG2 4.03Å; L472-V498 HydrophobicContact CD1-CB 4.14Å; L472-V498 HydrophobicContact CD1-CG1 4.13Å; L472-V498 HydrophobicContact CD1-CG2 3.74Å; L472-I528 HydrophobicContact CD2-CD1 3.71Å
473	N	97.3	Very high	96.9	Very high	54 Å²	54	20.4 Å²	20.4	29%	0.289	12%	0.119	S	C	.	.	H	α-helix	trans	-69.1	-36.3	168.5	-177.6	90	0	0	0	111.5	R442 A469 A470 G477 G478 V479	R442-N473 PolarHBondContact NH1-OD1 2.9Å; A469-N473 WeakPolarHBondContact O-CB 3.14Å; A469-N473 PolarHBondContact O-N 2.96Å; A470-N473 PolarHBondContact O-N 3.5Å; N473-G477 WeakPolarHBondContact O-CA 3.46Å; N473-G477 PolarHBondContact O-N 2.84Å; N473-G478 PolarHBondContact OD1-N 2.8Å; N473-V479 HydrophobicContact CB-CB 4.04Å; N473-V479 HydrophobicContact CB-CG2 4.06Å
474	D	97.5	Very high	97.1	Very high	116 Å²	116	20.7 Å²	20.7	62%	0.62	12%	0.121	S	C	*	.	H	α-helix	trans	-68.8	-51	177.1	-167.4	42.1	0	0	0	111.2	W322 A470 I471	W322-D474 PolarHBondContact NE1-OD2 2.82Å; A470-D474 WeakPolarHBondContact O-CB 3.19Å; A470-D474 PolarHBondContact O-N 2.84Å; I471-D474 PolarHBondContact O-N 2.87Å
475	L	97.4	Very high	97.2	Very high	27 Å²	27	21.5 Å²	21.5	14%	0.141	13%	0.125	C	C	.	.	H	α-helix	trans	-67.2	-39.7	179.1	-70.4	175	0	0	0	114.5	W322 I471 L472 K508 V515	W322-L475 HydrophobicContact CB-CD1 4.05Å; W322-L475 HydrophobicContact CB-CD2 4.15Å; W322-L475 HydrophobicContact CB-CG 4.18Å; I471-L475 HydrophobicContact CG2-CD1 4.24Å; I471-L475 WeakPolarHBondContact O-CG 3.43Å; I471-L475 PolarHBondContact O-N 2.77Å; L472-L475 HydrophobicContact CD2-CD1 4.5Å; L475-K508 PolarHBondContact O-NZ 3.46Å; L475-V515 HydrophobicContact CD1-CB 4.48Å; L475-V515 HydrophobicContact CD1-CG1 3.42Å; L475-V515 VanDerWaalsContact CD1-CG1 3.42Å; L475-V515 HydrophobicContact CD1-CG2 4.2Å
476	F	98	Very high	97.1	Very high	14 Å²	14	23.7 Å²	23.7	6%	0.061	14%	0.139	C	C	.	.	H	α-helix	trans	-123.6	-16.7	-166.6	-54.7	-66.5	0	0	0	114.6	L472 F500 S505 K508 A509 A512 V515 I528	L472-F476 HydrophobicContact CB-CD2 4.35Å; L472-F476 HydrophobicContact CD2-CD2 3.71Å; L472-F476 HydrophobicContact CD2-CE2 3.52Å; L472-F476 WeakPolarHBondContact O-CB 3.17Å; L472-F476 PolarHBondContact O-N 2.95Å; F476-F500 HydrophobicContact CB-CE1 3.88Å; F476-F500 HydrophobicContact CB-CZ 4.2Å; F476-S505 WeakPolarHBondContact O-CB 3.39Å; F476-S505 PolarHBondContact O-OG 2.86Å; F476-K508 HydrophobicContact CD1-CB 3.99Å; F476-K508 HydrophobicContact CD1-CD 3.77Å; F476-K508 HydrophobicContact CD1-CG 3.68Å; F476-K508 HydrophobicContact CE1-CD 4.43Å; F476-K508 HydrophobicContact CE1-CG 4.07Å; F476-A509 HydrophobicContact CB-CB 4.45Å; F476-A509 HydrophobicContact CD1-CB 4.09Å; F476-A509 HydrophobicContact CD2-CB 3.81Å; F476-A509 HydrophobicContact CE1-CB 4.33Å; F476-A509 HydrophobicContact CE2-CB 4.05Å; F476-A509 HydrophobicContact CG-CB 3.84Å; F476-A509 HydrophobicContact CZ-CB 4.31Å; F476-A512 HydrophobicContact CE1-CB 3.75Å; F476-A512 HydrophobicContact CZ-CB 3.63Å; F476-V515 HydrophobicContact CE2-CG2 4.17Å; F476-V515 HydrophobicContact CZ-CG2 4.04Å; F476-I528 HydrophobicContact CE2-CD1 3.91Å; F476-I528 HydrophobicContact CZ-CD1 4.37Å
477	G	97.1	Very high	97	Very high	24 Å²	24	20.2 Å²	20.2	25%	0.247	12%	0.123	C	C	.	.	S	Bend	trans	75.2	157.7	-177.1	0	0	0	0	0	113.9	N473 V479 F500 S505	N473-G477 WeakPolarHBondContact O-CA 3.46Å; N473-G477 PolarHBondContact O-N 2.84Å; G477-V479 PolarHBondContact O-N 2.85Å; G477-F500 VanDerWaalsContact O-CD1 3.29Å; G477-F500 WeakPolarHBondContact O-CD1 3.3Å; G477-S505 WeakPolarHBondContact O-CB 3.46Å; G477-S505 PolarHBondContact O-OG 3.02Å
478	G	95.6	Very high	96.9	Very high	16 Å²	16	26.1 Å²	26.1	17%	0.165	15%	0.149	C	C	.	.			trans	70.1	21.1	162	0	0	0	0	0	116.8	N473 F500 N501	N473-G478 PolarHBondContact OD1-N 2.8Å; G478-F500 CarbonylContact O-C 3.56Å; G478-F500 WeakPolarHBondContact O-CA 3.2Å; G478-N501 WeakPolarHBondContact CA-OD1 3.29Å; G478-N501 VanDerWaalsContact O-CG 3.31Å; G478-N501 PolarHBondContact O-N 3.39Å; G478-N501 PolarHBondContact O-OD1 2.92Å
479	V	97.5	Very high	96.8	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	137.8	170.7	178.2	0	0	0	0	109.9	R442 A469 L472 N473 G477 V498 F500	R442-V479 VanDerWaalsContact CD-O 3.3Å; R442-V479 WeakPolarHBondContact CD-O 3.31Å; R442-V479 PolarHBondContact NH1-O 3.35Å; R442-V479 VanDerWaalsContact NH1-O 3.08Å; A469-V479 HydrophobicContact CB-CG1 3.94Å; L472-V479 HydrophobicContact CB-CG2 4.03Å; N473-V479 HydrophobicContact CB-CB 4.04Å; N473-V479 HydrophobicContact CB-CG2 4.06Å; G477-V479 PolarHBondContact O-N 2.85Å; V479-V498 HydrophobicContact CB-CG1 4.4Å; V479-V498 HydrophobicContact CG1-CG1 3.63Å; V479-V498 HydrophobicContact CG2-CG1 3.87Å; V479-F500 HydrophobicContact CG2-CD1 3.85Å; V479-F500 HydrophobicContact CG2-CE1 3.48Å; V479-F500 VanDerWaalsContact CG2-CE1 3.48Å; V479-F500 HydrophobicContact CG2-CZ 4.26Å
480	V	96.9	Very high	96.7	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.03	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	-20.7	179.4	-66	0	0	0	0	114.1	R442 Q446 T499 N501	R442-V480 WeakPolarHBondContact CB-O 3.46Å; R442-V480 PolarHBondContact N-O 2.66Å; Q446-V480 VanDerWaalsContact OE1-CG1 3.27Å; V480-T499 HydrophobicContact CG2-CG2 4.36Å; V480-T499 WeakPolarHBondContact CG2-O 3.38Å; V480-T499 PolarHBondContact N-O 3.31Å; V480-N501 HydrophobicContact CG1-CB 3.79Å
481	Y	97.7	Very high	96.6	Very high	27 Å²	27	32.9 Å²	32.9	11%	0.106	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	144.2	170.7	167.8	-102.9	0	0	0	110.5	N439 F440 V441 L448 G483 V498 T499	N439-Y481 HydrophobicContact CB-CE2 4.41Å; N439-Y481 WeakPolarHBondContact OD1-CE2 3.45Å; N439-Y481 PolarHBondContact OD1-OH 3.09Å; F440-Y481 WeakPolarHBondContact O-CA 3.12Å; F440-Y481 WeakPolarHBondContact O-CD2 3.37Å; V441-Y481 HydrophobicContact CG2-CD2 3.96Å; V441-Y481 HydrophobicContact CG2-CE2 4.38Å; L448-Y481 HydrophobicContact CD1-CD1 3.62Å; L448-Y481 HydrophobicContact CD1-CD2 4.01Å; L448-Y481 HydrophobicContact CD1-CE1 4.08Å; L448-Y481 HydrophobicContact CD1-CE2 4.44Å; L448-Y481 HydrophobicContact CD1-CG 3.57Å; L448-Y481 HydrophobicContact CD2-CG 4.12Å; Y481-G483 WeakPolarHBondContact OH-CA 3.34Å; Y481-V498 WeakPolarHBondContact O-CA 3.33Å; Y481-T499 PolarHBondContact N-O 3.18Å; Y481-T499 PolarHBondContact O-N 2.75Å
482	A	98.1	Very high	96.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.9	160.1	0	0	0	0	0	109.6	F440 A465 A469 R497 V498	F440-A482 PolarHBondContact N-O 2.94Å; F440-A482 PolarHBondContact O-N 2.88Å; A465-A482 HydrophobicContact CB-CB 4.32Å; A465-A482 WeakPolarHBondContact CB-O 3.41Å; A465-A482 VanDerWaalsContact O-CB 3.31Å; A465-A482 WeakPolarHBondContact O-CB 3.44Å; A469-A482 HydrophobicContact CB-CB 3.81Å; A482-R497 CarbonylContact C-O 3.6Å; A482-R497 WeakPolarHBondContact CA-O 3.19Å; A482-V498 HydrophobicContact CB-CG2 3.82Å
483	G	97.3	Very high	96.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	141.9	172.1	0	0	0	0	0	110.7	S438 Y481 G496 R497	S438-G483 CarbonylContact O-C 3.56Å; S438-G483 WeakPolarHBondContact O-CA 3.48Å; Y481-G483 WeakPolarHBondContact OH-CA 3.34Å; G483-G496 CarbonylContact O-C 3.58Å; G483-G496 WeakPolarHBondContact O-CA 3.16Å; G483-R497 PolarHBondContact N-O 3.3Å; G483-R497 PolarHBondContact O-N 3.44Å
484	I	98.1	Very high	96.1	Very high	10 Å²	10	36.6 Å²	36.6	5%	0.051	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	130.2	166.7	-53.4	-57.9	0	0	0	107.3	W433 S438 L459 A465 L468 P492	W433-I484 HydrophobicContact CH2-CG1 4.47Å; W433-I484 HydrophobicContact CZ2-CB 4.46Å; W433-I484 HydrophobicContact CZ2-CG1 4.33Å; W433-I484 HydrophobicContact CZ2-CG2 4.44Å; S438-I484 PolarHBondContact O-N 2.89Å; L459-I484 HydrophobicContact CD1-CD1 3.82Å; A465-I484 HydrophobicContact CB-CG1 4.21Å; L468-I484 HydrophobicContact CD2-CD1 4.02Å; I484-P492 HydrophobicContact CG2-CB 3.79Å; I484-P492 HydrophobicContact CG2-CG 4.04Å
485	D	96.1	Very high	96	Very high	21 Å²	21	31.7 Å²	31.7	11%	0.112	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	140.7	175.8	-60.1	-43.9	0	0	0	109.9	P492 I493 S495 G496 R497	D485-P492 WeakPolarHBondContact O-CA 3.45Å; D485-I493 HydrophobicContact CB-CD1 3.87Å; D485-I493 HydrophobicContact CB-CG1 3.91Å; D485-I493 PolarHBondContact O-N 2.19Å; D485-S495 WeakPolarHBondContact CB-OG 3.2Å; D485-S495 PolarHBondContact N-O 3.11Å; D485-S495 PolarHBondContact OD2-OG 2.88Å; D485-G496 WeakPolarHBondContact OD2-CA 3.41Å; D485-G496 PolarHBondContact OD2-N 3.17Å; D485-R497 IonicContact OD1-CZ 2.64Å; D485-R497 VanDerWaalsContact OD1-CZ 3.22Å; D485-R497 IonicContact OD1-NE 2.19Å; D485-R497 PolarHBondContact OD1-NE 3.33Å; D485-R497 IonicContact OD1-NH2 3.1Å; D485-R497 PolarHBondContact OD1-NH2 3.1Å
486	T	95.8	Very high	96	Very high	46 Å²	46	30.4 Å²	30.4	28%	0.282	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.3	-171.7	60.9	0	0	0	0	113.6	Y491	T486-Y491 CarbonylContact C-O 3.47Å; T486-Y491 WeakPolarHBondContact CA-O 3.04Å; T486-Y491 WeakPolarHBondContact CB-O 3.42Å
487	D	93.7	Very high	96	Very high	15 Å²	15	33.3 Å²	33.3	8%	0.08	18%	0.175	C	C	.	.			trans	-73.2	-179	172.5	79.7	-7.3	0	0	0	113.1	K339 H489 K490 Y491 I493	K339-D487 WeakPolarHBondContact CD-OD2 3.35Å; K339-D487 IonicContact NZ-OD2 3.7Å; K339-D487 PolarHBondContact NZ-OD2 3.11Å; D487-H489 PolarHBondContact O-N 3.07Å; D487-H489 VanDerWaalsContact O-N 3.07Å; D487-H489 VanDerWaalsContact OD1-CA 3.32Å; D487-H489 WeakPolarHBondContact OD1-CA 3.34Å; D487-H489 VanDerWaalsContact OD1-CB 3.32Å; D487-H489 WeakPolarHBondContact OD1-CB 3.24Å; D487-H489 IonicContact OD1-CG 2.67Å; D487-H489 PolarHBondContact OD1-N 2.64Å; D487-H489 IonicContact OD1-ND1 2.78Å; D487-H489 IonicContact OD2-CE1 3.97Å; D487-H489 IonicContact OD2-CG 3.91Å; D487-H489 IonicContact OD2-ND1 3.93Å; D487-H489 PolarHBondContact OD2-ND1 2.85Å; D487-K490 WeakPolarHBondContact O-CA 3.45Å; D487-K490 PolarHBondContact O-N 3.25Å; D487-K490 PolarHBondContact OD1-N 2.69Å; D487-Y491 PolarHBondContact N-O 3.1Å; D487-Y491 WeakPolarHBondContact OD1-CB 3.29Å; D487-Y491 PolarHBondContact OD1-N 2.82Å; D487-I493 HydrophobicContact CB-CG2 4.1Å
488	K	93.4	Very high	96	Very high	124 Å²	124	32.1 Å²	32.1	54%	0.539	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-22.6	174.5	65	-160.9	177.8	-159.2	0	114.9	S211	S211-K488 WeakPolarHBondContact OG-CB 3.35Å; S211-K488 PolarHBondContact OG-N 2.97Å; S211-K488 VanDerWaalsContact OG-N 3.11Å
489	H	94.3	Very high	96.1	Very high	44 Å²	44	31.6 Å²	31.6	20%	0.204	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	4.6	177.5	-42.9	112.1	0	0	0	112.7	S337 K339 E367 D487 Y491	S337-H489 PolarHBondContact OG-O 2.92Å; K339-H489 HydrophobicContact CB-CB 3.91Å; K339-H489 HydrophobicContact CD-CB 4.34Å; E367-H489 IonicContact OE1-CE1 3.72Å; D487-H489 PolarHBondContact O-N 3.07Å; D487-H489 VanDerWaalsContact O-N 3.07Å; D487-H489 VanDerWaalsContact OD1-CA 3.32Å; D487-H489 WeakPolarHBondContact OD1-CA 3.34Å; D487-H489 VanDerWaalsContact OD1-CB 3.32Å; D487-H489 WeakPolarHBondContact OD1-CB 3.24Å; D487-H489 IonicContact OD1-CG 2.67Å; D487-H489 PolarHBondContact OD1-N 2.64Å; D487-H489 IonicContact OD1-ND1 2.78Å; D487-H489 IonicContact OD2-CE1 3.97Å; D487-H489 IonicContact OD2-CG 3.91Å; D487-H489 IonicContact OD2-ND1 3.93Å; D487-H489 PolarHBondContact OD2-ND1 2.85Å; H489-Y491 VanDerWaalsContact C-N 3.29Å
490	K	95.5	Very high	96.1	Very high	122 Å²	122	31.7 Å²	31.7	53%	0.53	16%	0.157	S	C	.	.	S	Bend	trans	63.2	31.2	-171.9	-52.5	175.2	-178	176	0	113.2	L435 D487	L435-K490 HydrophobicContact CD1-CD 4.22Å; L435-K490 HydrophobicContact CD2-CB 3.63Å; L435-K490 HydrophobicContact CD2-CD 4Å; L435-K490 HydrophobicContact CD2-CG 4.47Å; D487-K490 WeakPolarHBondContact O-CA 3.45Å; D487-K490 PolarHBondContact O-N 3.25Å; D487-K490 PolarHBondContact OD1-N 2.69Å
491	Y	95.6	Very high	96.1	Very high	22 Å²	22	34.8 Å²	34.8	9%	0.086	17%	0.173	C	C	.	.			trans	-98.9	138.8	176.1	-158.6	-89	0	0	0	111.7	K339 F341 Y385 W433 T486 D487 H489	K339-Y491 HydrophobicContact CB-CD2 3.76Å; K339-Y491 HydrophobicContact CB-CG 4.03Å; K339-Y491 HydrophobicContact CD-CD1 4.42Å; K339-Y491 HydrophobicContact CD-CD2 4.48Å; K339-Y491 HydrophobicContact CD-CG 3.97Å; K339-Y491 HydrophobicContact CG-CD1 4.35Å; K339-Y491 HydrophobicContact CG-CD2 3.75Å; K339-Y491 HydrophobicContact CG-CE2 4.37Å; K339-Y491 HydrophobicContact CG-CG 3.74Å; K339-Y491 WeakPolarHBondContact O-CD2 3.49Å; K339-Y491 WeakPolarHBondContact O-CE2 3.33Å; F341-Y491 VanDerWaalsContact CB-OH 3.27Å; F341-Y491 WeakPolarHBondContact CB-OH 3.45Å; Y385-Y491 HydrophobicContact CD1-CE1 4.15Å; Y385-Y491 HydrophobicContact CE1-CD1 4.42Å; Y385-Y491 AromaticContact CE1-CE1 3.71Å; Y385-Y491 HydrophobicContact CE1-CE1 3.71Å; W433-Y491 HydrophobicContact CB-CD2 3.79Å; W433-Y491 HydrophobicContact CB-CE2 3.66Å; T486-Y491 CarbonylContact C-O 3.47Å; T486-Y491 WeakPolarHBondContact CA-O 3.04Å; T486-Y491 WeakPolarHBondContact CB-O 3.42Å; D487-Y491 PolarHBondContact N-O 3.1Å; D487-Y491 WeakPolarHBondContact OD1-CB 3.29Å; D487-Y491 PolarHBondContact OD1-N 2.82Å; H489-Y491 VanDerWaalsContact C-N 3.29Å
492	P	95.8	Very high	96	Very high	27 Å²	27	35.9 Å²	35.9	18%	0.175	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	141.4	-178.3	-29.6	36.6	0	0	0	115.2	W433 I484 D485	W433-P492 HydrophobicContact CD2-CG 3.38Å; W433-P492 HydrophobicContact CE3-CG 3.56Å; W433-P492 HydrophobicContact CG-CG 4.02Å; W433-P492 HydrophobicContact CH2-CG 3.61Å; W433-P492 HydrophobicContact CZ2-CG 3.47Å; W433-P492 VanDerWaalsContact CZ2-CG 3.47Å; W433-P492 HydrophobicContact CZ3-CG 3.66Å; I484-P492 HydrophobicContact CG2-CB 3.79Å; I484-P492 HydrophobicContact CG2-CG 4.04Å; D485-P492 WeakPolarHBondContact O-CA 3.45Å
493	I	92.6	Very high	95.9	Very high	80 Å²	80	39.9 Å²	39.9	41%	0.41	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	7.1	176.1	70.2	-180	0	0	0	114.1	T215 D485 D487	T215-I493 PolarHBondContact OG1-O 2.93Å; D485-I493 HydrophobicContact CB-CD1 3.87Å; D485-I493 HydrophobicContact CB-CG1 3.91Å; D485-I493 PolarHBondContact O-N 2.19Å; D487-I493 HydrophobicContact CB-CG2 4.1Å
494	G	93.8	Very high	95.9	Very high	27 Å²	27	49.9 Å²	49.9	28%	0.278	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	82.9	13.3	-178.4	0	0	0	0	0	114.9	A458 L459	A458-G494 PolarHBondContact N-O 3.31Å; L459-G494 PolarHBondContact N-O 2.91Å
495	S	96.2	Very high	95.9	Very high	13 Å²	13	50 Å²	50	9%	0.091	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	168.6	168.2	71.1	0	0	0	0	112.3	F455 V456 L459 D485	F455-S495 VanDerWaalsContact CE2-CB 3.49Å; F455-S495 VanDerWaalsContact CZ-CB 3.47Å; V456-S495 CarbonylContact O-C 3.59Å; V456-S495 WeakPolarHBondContact O-CA 3.14Å; V456-S495 WeakPolarHBondContact O-CB 3.07Å; L459-S495 VanDerWaalsContact CD1-C 3.46Å; D485-S495 WeakPolarHBondContact CB-OG 3.2Å; D485-S495 PolarHBondContact N-O 3.11Å; D485-S495 PolarHBondContact OD2-OG 2.88Å
496	G	96.9	Very high	95.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	-178.4	175.4	0	0	0	0	0	112	V456 G483 D485	V456-G496 PolarHBondContact N-O 2.89Å; V456-G496 PolarHBondContact O-N 2.89Å; G483-G496 CarbonylContact O-C 3.58Å; G483-G496 WeakPolarHBondContact O-CA 3.16Å; D485-G496 WeakPolarHBondContact OD2-CA 3.41Å; D485-G496 PolarHBondContact OD2-N 3.17Å
497	R	97.3	Very high	95.9	Very high	75 Å²	75	50.6 Å²	50.6	28%	0.283	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	140.2	-177.2	-71.7	168.3	-73.9	148.5	-1	110.3	T453 V454 F455 A482 G483 D485 Y531	T453-R497 HydrophobicContact CG2-CB 4.19Å; V454-R497 CarbonylContact O-C 3.57Å; V454-R497 VanDerWaalsContact O-CA 3.29Å; V454-R497 WeakPolarHBondContact O-CA 3.41Å; F455-R497 HydrophobicContact CD2-CG 4.49Å; A482-R497 CarbonylContact C-O 3.6Å; A482-R497 WeakPolarHBondContact CA-O 3.19Å; G483-R497 PolarHBondContact N-O 3.3Å; G483-R497 PolarHBondContact O-N 3.44Å; D485-R497 IonicContact OD1-CZ 2.64Å; D485-R497 VanDerWaalsContact OD1-CZ 3.22Å; D485-R497 IonicContact OD1-NE 2.19Å; D485-R497 PolarHBondContact OD1-NE 3.33Å; D485-R497 IonicContact OD1-NH2 3.1Å; D485-R497 PolarHBondContact OD1-NH2 3.1Å; R497-Y531 HydrophobicContact CG-CD2 3.98Å; R497-Y531 HydrophobicContact CG-CE2 4.07Å
498	V	98.3	Very high	96.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	126.7	-177.1	179.3	0	0	0	0	110.7	T453 V454 V456 L468 L472 V479 Y481 A482 F500	T453-V498 CarbonylContact C-O 3.58Å; T453-V498 WeakPolarHBondContact CA-O 3.48Å; V454-V498 HydrophobicContact CG2-CB 3.99Å; V454-V498 PolarHBondContact N-O 3.3Å; V454-V498 PolarHBondContact O-N 2.95Å; V456-V498 HydrophobicContact CG2-CG2 4.18Å; L468-V498 HydrophobicContact CD2-CG2 3.79Å; L468-V498 HydrophobicContact CG-CG2 3.86Å; L472-V498 HydrophobicContact CD1-CB 4.14Å; L472-V498 HydrophobicContact CD1-CG1 4.13Å; L472-V498 HydrophobicContact CD1-CG2 3.74Å; V479-V498 HydrophobicContact CB-CG1 4.4Å; V479-V498 HydrophobicContact CG1-CG1 3.63Å; V479-V498 HydrophobicContact CG2-CG1 3.87Å; Y481-V498 WeakPolarHBondContact O-CA 3.33Å; A482-V498 HydrophobicContact CB-CG2 3.82Å; V498-F500 HydrophobicContact CG1-CZ 4.44Å
499	T	97.9	Very high	96.3	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129.2	-177.8	-51.5	0	0	0	0	110.7	L448 T453 V480 Y481	L448-T499 HydrophobicContact CB-CG2 4.43Å; L448-T499 HydrophobicContact CD2-CG2 4.4Å; T453-T499 WeakPolarHBondContact OG1-CB 3.32Å; T453-T499 WeakPolarHBondContact OG1-CG2 3.32Å; T453-T499 PolarHBondContact OG1-OG1 3.13Å; V480-T499 HydrophobicContact CG2-CG2 4.36Å; V480-T499 WeakPolarHBondContact CG2-O 3.38Å; V480-T499 PolarHBondContact N-O 3.31Å; Y481-T499 PolarHBondContact N-O 3.18Å; Y481-T499 PolarHBondContact O-N 2.75Å
500	F	97.5	Very high	96.3	Very high	3 Å²	3	47.8 Å²	47.8	1%	0.013	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	148.3	175.3	-63	-82.2	0	0	0	111.3	R452 V454 F476 G477 G478 V479 V498 N502 A509	R452-F500 WeakPolarHBondContact CB-O 3.41Å; R452-F500 PolarHBondContact O-N 3.17Å; V454-F500 HydrophobicContact CG1-CE2 4Å; V454-F500 HydrophobicContact CG2-CE2 3.87Å; F476-F500 HydrophobicContact CB-CE1 3.88Å; F476-F500 HydrophobicContact CB-CZ 4.2Å; G477-F500 VanDerWaalsContact O-CD1 3.29Å; G477-F500 WeakPolarHBondContact O-CD1 3.3Å; G478-F500 CarbonylContact O-C 3.56Å; G478-F500 WeakPolarHBondContact O-CA 3.2Å; V479-F500 HydrophobicContact CG2-CD1 3.85Å; V479-F500 HydrophobicContact CG2-CE1 3.48Å; V479-F500 VanDerWaalsContact CG2-CE1 3.48Å; V479-F500 HydrophobicContact CG2-CZ 4.26Å; V498-F500 HydrophobicContact CG1-CZ 4.44Å; F500-N502 VanDerWaalsContact C-N 3.28Å; F500-N502 PolarHBondContact O-N 2.71Å; F500-A509 HydrophobicContact CE2-CB 3.79Å; F500-A509 HydrophobicContact CZ-CB 3.68Å
501	N	95.6	Very high	96.3	Very high	69 Å²	69	44.7 Å²	44.7	37%	0.369	22%	0.22	S	C	.	.	S	Bend	trans	-74.9	-16.9	172.6	63.5	10.7	0	0	0	113.5	R452 G478 V480	R452-N501 PolarHBondContact NH1-O 3.3Å; G478-N501 WeakPolarHBondContact CA-OD1 3.29Å; G478-N501 VanDerWaalsContact O-CG 3.31Å; G478-N501 PolarHBondContact O-N 3.39Å; G478-N501 PolarHBondContact O-OD1 2.92Å; V480-N501 HydrophobicContact CG1-CB 3.79Å
502	N	95.5	Very high	96.3	Very high	50 Å²	50	44 Å²	44	27%	0.267	22%	0.219	S	C	.	.	S	Bend	trans	-139.2	149.4	-171.9	79.3	88.4	0	0	0	112.7	F500 R504 S505 Y506	F500-N502 VanDerWaalsContact C-N 3.28Å; F500-N502 PolarHBondContact O-N 2.71Å; N502-R504 VanDerWaalsContact C-N 3.32Å; N502-R504 PolarHBondContact O-N 3.11Å; N502-R504 WeakPolarHBondContact OD1-CB 3.3Å; N502-R504 PolarHBondContact OD1-N 3.16Å; N502-R504 VanDerWaalsContact OD1-N 3.09Å; N502-S505 WeakPolarHBondContact ND2-CB 3.49Å; N502-S505 PolarHBondContact ND2-OG 3.41Å; N502-S505 PolarHBondContact OD1-N 3.25Å; N502-S505 PolarHBondContact OD1-OG 3.5Å; N502-Y506 PolarHBondContact O-N 2.94Å
503	Q	96.1	Very high	96.2	Very high	84 Å²	84	43.2 Å²	43.2	39%	0.393	22%	0.215	S	C	.	.	H	α-helix	trans	-67.8	-28.8	-175.7	-163.4	63.8	13.6	0	0	113.5	R452 Y506 L507	R452-Q503 VanDerWaalsContact CG-OE1 3.26Å; Q503-Y506 VanDerWaalsContact NE2-CD1 3.33Å; Q503-L507 HydrophobicContact CG-CD1 4.05Å; Q503-L507 HydrophobicContact CG-CG 4.27Å; Q503-L507 WeakPolarHBondContact O-CB 3.42Å; Q503-L507 WeakPolarHBondContact O-CG 3.16Å; Q503-L507 PolarHBondContact O-N 3.03Å
504	R	97.3	Very high	96.4	Very high	211 Å²	211	39.9 Å²	39.9	80%	0.796	20%	0.198	S	C	*	.	H	α-helix	trans	-67.6	-45.8	-177.5	-175.4	-174.9	-67.4	148.9	-2.3	111.1	N502 L507 K508	N502-R504 VanDerWaalsContact C-N 3.32Å; N502-R504 PolarHBondContact O-N 3.11Å; N502-R504 WeakPolarHBondContact OD1-CB 3.3Å; N502-R504 PolarHBondContact OD1-N 3.16Å; N502-R504 VanDerWaalsContact OD1-N 3.09Å; R504-L507 PolarHBondContact O-N 2.91Å; R504-K508 WeakPolarHBondContact O-CB 3.45Å; R504-K508 PolarHBondContact O-N 3.09Å
505	S	97.8	Very high	96.6	Very high	12 Å²	12	38.6 Å²	38.6	8%	0.084	18%	0.184	C	C	.	.	H	α-helix	trans	-64.2	-43.9	175.7	-62.3	0	0	0	0	112.1	F476 G477 N502 K508 A509	F476-S505 WeakPolarHBondContact O-CB 3.39Å; F476-S505 PolarHBondContact O-OG 2.86Å; G477-S505 WeakPolarHBondContact O-CB 3.46Å; G477-S505 PolarHBondContact O-OG 3.02Å; N502-S505 WeakPolarHBondContact ND2-CB 3.49Å; N502-S505 PolarHBondContact ND2-OG 3.41Å; N502-S505 PolarHBondContact OD1-N 3.25Å; N502-S505 PolarHBondContact OD1-OG 3.5Å; S505-K508 PolarHBondContact O-N 3.49Å; S505-A509 WeakPolarHBondContact O-CB 3.45Å; S505-A509 PolarHBondContact O-N 3.23Å
506	Y	97.6	Very high	96.7	Very high	12 Å²	12	39.7 Å²	39.7	5%	0.047	19%	0.188	C	C	.	.	H	α-helix	trans	-56.7	-52.3	173.7	164.5	-96	0	0	0	112.2	T453 V454 N502 Q503 K508 A509 V510 F555	T453-Y506 WeakPolarHBondContact O-CE2 3.36Å; V454-Y506 HydrophobicContact CG1-CD2 3.71Å; V454-Y506 HydrophobicContact CG1-CE2 3.91Å; N502-Y506 PolarHBondContact O-N 2.94Å; Q503-Y506 VanDerWaalsContact NE2-CD1 3.33Å; Y506-K508 VanDerWaalsContact C-N 3.34Å; Y506-K508 PolarHBondContact O-N 2.93Å; Y506-A509 PolarHBondContact O-N 2.74Å; Y506-V510 HydrophobicContact CD2-CG2 4.26Å; Y506-V510 HydrophobicContact CE1-CG2 4.37Å; Y506-V510 HydrophobicContact CE2-CG2 3.87Å; Y506-V510 WeakPolarHBondContact O-CG2 3.44Å; Y506-V510 PolarHBondContact O-N 3.34Å; Y506-F555 HydrophobicContact CE1-CE1 4.26Å; Y506-F555 HydrophobicContact CE1-CZ 4.2Å
507	L	95.9	Very high	96.7	Very high	67 Å²	67	39.7 Å²	39.7	35%	0.351	19%	0.188	S	C	.	.	H	α-helix	trans	-65.2	-35.5	179.3	-70.7	175.7	0	0	0	112.3	Q503 R504 S511 F555	Q503-L507 HydrophobicContact CG-CD1 4.05Å; Q503-L507 HydrophobicContact CG-CG 4.27Å; Q503-L507 WeakPolarHBondContact O-CB 3.42Å; Q503-L507 WeakPolarHBondContact O-CG 3.16Å; Q503-L507 PolarHBondContact O-N 3.03Å; R504-L507 PolarHBondContact O-N 2.91Å; L507-S511 VanDerWaalsContact O-CB 3.24Å; L507-S511 WeakPolarHBondContact O-CB 3.44Å; L507-S511 PolarHBondContact O-N 3.38Å; L507-S511 PolarHBondContact O-OG 2.78Å; L507-F555 HydrophobicContact CD2-CE1 4.44Å; L507-F555 HydrophobicContact CD2-CZ 4.42Å
508	K	96.8	Very high	96.6	Very high	120 Å²	120	40.2 Å²	40.2	52%	0.522	19%	0.192	S	C	.	.	H	α-helix	trans	-63.7	-42.7	174.3	-167.3	-172	167.4	-162.3	0	111.2	L475 F476 R504 S505 Y506 S511 A512	L475-K508 PolarHBondContact O-NZ 3.46Å; F476-K508 HydrophobicContact CD1-CB 3.99Å; F476-K508 HydrophobicContact CD1-CD 3.77Å; F476-K508 HydrophobicContact CD1-CG 3.68Å; F476-K508 HydrophobicContact CE1-CD 4.43Å; F476-K508 HydrophobicContact CE1-CG 4.07Å; R504-K508 WeakPolarHBondContact O-CB 3.45Å; R504-K508 PolarHBondContact O-N 3.09Å; S505-K508 PolarHBondContact O-N 3.49Å; Y506-K508 VanDerWaalsContact C-N 3.34Å; Y506-K508 PolarHBondContact O-N 2.93Å; K508-S511 PolarHBondContact O-N 2.95Å; K508-A512 WeakPolarHBondContact O-CB 3.33Å; K508-A512 PolarHBondContact O-N 2.79Å
509	A	97.3	Very high	96.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.8	-46.4	177.5	0	0	0	0	0	112.5	V454 F476 F500 S505 Y506 S511 A512 A513 I528	V454-A509 HydrophobicContact CG1-CB 4.35Å; F476-A509 HydrophobicContact CB-CB 4.45Å; F476-A509 HydrophobicContact CD1-CB 4.09Å; F476-A509 HydrophobicContact CD2-CB 3.81Å; F476-A509 HydrophobicContact CE1-CB 4.33Å; F476-A509 HydrophobicContact CE2-CB 4.05Å; F476-A509 HydrophobicContact CG-CB 3.84Å; F476-A509 HydrophobicContact CZ-CB 4.31Å; F500-A509 HydrophobicContact CE2-CB 3.79Å; F500-A509 HydrophobicContact CZ-CB 3.68Å; S505-A509 WeakPolarHBondContact O-CB 3.45Å; S505-A509 PolarHBondContact O-N 3.23Å; Y506-A509 PolarHBondContact O-N 2.74Å; A509-S511 VanDerWaalsContact C-N 3.31Å; A509-S511 PolarHBondContact O-N 2.86Å; A509-A512 PolarHBondContact O-N 3.12Å; A509-A513 PolarHBondContact O-N 2.97Å; A509-I528 HydrophobicContact CB-CG2 4.28Å
510	V	95.8	Very high	95.9	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.024	23%	0.229	C	C	.	.	H	α-helix	trans	-60.5	-40.1	175.4	168.1	0	0	0	0	111.9	V454 Y506 A513 P530 R550 F555	V454-V510 HydrophobicContact CG1-CG2 3.67Å; Y506-V510 HydrophobicContact CD2-CG2 4.26Å; Y506-V510 HydrophobicContact CE1-CG2 4.37Å; Y506-V510 HydrophobicContact CE2-CG2 3.87Å; Y506-V510 WeakPolarHBondContact O-CG2 3.44Å; Y506-V510 PolarHBondContact O-N 3.34Å; V510-A513 PolarHBondContact O-N 3.38Å; V510-P530 HydrophobicContact CG1-CG 3.76Å; V510-P530 HydrophobicContact CG2-CG 4.13Å; V510-R550 PolarHBondContact O-NH2 3.35Å; V510-F555 HydrophobicContact CG1-CE2 3.88Å; V510-F555 HydrophobicContact CG1-CZ 4.17Å
511	S	94.7	Very high	95.4	Very high	57 Å²	57	49.9 Å²	49.9	40%	0.399	25%	0.245	S	C	.	.	H	α-helix	trans	-74.9	-24.7	-179.9	-54.3	0	0	0	0	113	L507 K508 A509 A513 Q552	L507-S511 VanDerWaalsContact O-CB 3.24Å; L507-S511 WeakPolarHBondContact O-CB 3.44Å; L507-S511 PolarHBondContact O-N 3.38Å; L507-S511 PolarHBondContact O-OG 2.78Å; K508-S511 PolarHBondContact O-N 2.95Å; A509-S511 VanDerWaalsContact C-N 3.31Å; A509-S511 PolarHBondContact O-N 2.86Å; S511-A513 VanDerWaalsContact C-N 3.33Å; S511-Q552 PolarHBondContact OG-NE2 3.47Å
512	A	95.7	Very high	95.2	Very high	8 Å²	8	47.5 Å²	47.5	7%	0.066	23%	0.231	C	C	.	.	H	α-helix	trans	-68.7	-31.6	174.4	0	0	0	0	0	112.4	T319 F476 K508 A509 F514	T319-A512 WeakPolarHBondContact CB-O 3.13Å; T319-A512 PolarHBondContact OG1-O 2.76Å; F476-A512 HydrophobicContact CE1-CB 3.75Å; F476-A512 HydrophobicContact CZ-CB 3.63Å; K508-A512 WeakPolarHBondContact O-CB 3.33Å; K508-A512 PolarHBondContact O-N 2.79Å; A509-A512 PolarHBondContact O-N 3.12Å; A512-F514 PolarHBondContact O-N 2.83Å
513	A	94.6	Very high	95.2	Very high	11 Å²	11	49 Å²	49	9%	0.091	24%	0.242	C	C	.	.			trans	61.4	-49.8	174.5	0	0	0	0	0	117.3	A509 V510 S511 Q527 I528 R550	A509-A513 PolarHBondContact O-N 2.97Å; V510-A513 PolarHBondContact O-N 3.38Å; S511-A513 VanDerWaalsContact C-N 3.33Å; A513-Q527 CarbonylContact O-C 3.47Å; A513-Q527 WeakPolarHBondContact O-CA 3.2Å; A513-I528 PolarHBondContact O-N 2.75Å; A513-R550 VanDerWaalsContact CB-NH2 3.27Å
514	F	96.5	Very high	95.1	Very high	10 Å²	10	47.5 Å²	47.5	4%	0.044	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	123.9	179.4	-56.9	-71.7	0	0	0	109.6	A312 A313 N316 E317 T319 A512 K525 V526 Q527	A312-F514 HydrophobicContact CB-CE1 3.92Å; A312-F514 HydrophobicContact CB-CZ 3.63Å; A313-F514 HydrophobicContact CB-CD1 4.48Å; A313-F514 HydrophobicContact CB-CE1 4.44Å; N316-F514 HydrophobicContact CB-CD1 4.47Å; N316-F514 HydrophobicContact CB-CD2 3.63Å; N316-F514 HydrophobicContact CB-CE1 4.25Å; N316-F514 HydrophobicContact CB-CE2 3.36Å; N316-F514 HydrophobicContact CB-CG 4.2Å; N316-F514 HydrophobicContact CB-CZ 3.72Å; E317-F514 WeakPolarHBondContact O-CB 3.45Å; T319-F514 PolarHBondContact N-O 2.81Å; A512-F514 PolarHBondContact O-N 2.83Å; F514-K525 HydrophobicContact CB-CD 4.44Å; F514-K525 HydrophobicContact CB-CG 4.32Å; F514-V526 WeakPolarHBondContact CA-O 3.36Å; F514-Q527 HydrophobicContact CD1-CB 4.05Å; F514-Q527 HydrophobicContact CD1-CG 4.31Å; F514-Q527 HydrophobicContact CE1-CB 3.95Å; F514-Q527 HydrophobicContact CE1-CG 3.8Å
515	V	97.3	Very high	95	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.1	178	176.2	0	0	0	0	108.5	C320 L475 F476 I517 K525 V526 I528	C320-V515 WeakPolarHBondContact O-CA 3.4Å; L475-V515 HydrophobicContact CD1-CB 4.48Å; L475-V515 HydrophobicContact CD1-CG1 3.42Å; L475-V515 VanDerWaalsContact CD1-CG1 3.42Å; L475-V515 HydrophobicContact CD1-CG2 4.2Å; F476-V515 HydrophobicContact CE2-CG2 4.17Å; F476-V515 HydrophobicContact CZ-CG2 4.04Å; V515-I517 HydrophobicContact CG1-CG1 4.29Å; V515-K525 CarbonylContact O-C 3.6Å; V515-K525 WeakPolarHBondContact O-CA 3.2Å; V515-V526 HydrophobicContact CB-CG2 3.94Å; V515-V526 PolarHBondContact N-O 2.76Å; V515-V526 WeakPolarHBondContact O-CG2 3.36Å; V515-V526 PolarHBondContact O-N 2.91Å; V515-I528 HydrophobicContact CG2-CD1 3.55Å; V515-I528 HydrophobicContact CG2-CG1 4.35Å
516	E	97.4	Very high	95	Very high	35 Å²	35	39 Å²	39	16%	0.164	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	121.6	170.8	-172.9	-167.4	-148.7	0	0	110	A318 C320 T321 W322 K518 T523	A318-E516 HydrophobicContact CB-CB 3.7Å; C320-E516 PolarHBondContact O-N 2.84Å; T321-E516 CarbonylContact C-O 3.53Å; T321-E516 WeakPolarHBondContact CA-O 3.39Å; T321-E516 HydrophobicContact CG2-CB 4.22Å; T321-E516 HydrophobicContact CG2-CG 4.39Å; T321-E516 WeakPolarHBondContact CG2-OE2 3.38Å; T321-E516 PolarHBondContact OG1-OE2 2.86Å; W322-E516 PolarHBondContact N-O 3.06Å; E516-K518 VanDerWaalsContact CD-CE 3.45Å; E516-K518 HydrophobicContact CG-CG 4.3Å; E516-K518 WeakPolarHBondContact OE1-CE 3.49Å; E516-K518 IonicContact OE1-NZ 2.68Å; E516-K518 PolarHBondContact OE1-NZ 3.42Å; E516-K518 WeakPolarHBondContact OE2-CE 3.44Å; E516-K518 IonicContact OE2-NZ 2.7Å; E516-K518 PolarHBondContact OE2-NZ 3.34Å; E516-T523 HydrophobicContact CG-CG2 3.95Å; E516-T523 WeakPolarHBondContact OE1-CG2 3.38Å
517	I	97.3	Very high	94.9	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	114.8	175.9	-62.6	172.4	0	0	0	107.9	W322 L463 I471 V515 T519 F522 T523 K524 V526	W322-I517 HydrophobicContact CE3-CG2 4.1Å; W322-I517 HydrophobicContact CZ3-CG2 4.42Å; L463-I517 HydrophobicContact CD1-CD1 3.79Å; I471-I517 HydrophobicContact CD1-CD1 4.08Å; I471-I517 HydrophobicContact CD1-CG1 4.45Å; I471-I517 HydrophobicContact CD1-CG2 3.93Å; I471-I517 HydrophobicContact CG2-CD1 4.29Å; I471-I517 HydrophobicContact CG2-CG1 4.24Å; V515-I517 HydrophobicContact CG1-CG1 4.29Å; I517-T519 HydrophobicContact CG2-CG2 4.2Å; I517-F522 HydrophobicContact CB-CE2 4.43Å; I517-F522 HydrophobicContact CG2-CE2 3.87Å; I517-F522 HydrophobicContact CG2-CZ 4.12Å; I517-T523 CarbonylContact O-C 3.53Å; I517-T523 VanDerWaalsContact O-CA 3.3Å; I517-T523 WeakPolarHBondContact O-CA 3.42Å; I517-K524 PolarHBondContact N-O 2.83Å; I517-K524 PolarHBondContact O-N 2.89Å; I517-V526 HydrophobicContact CD1-CG1 3.88Å; I517-V526 HydrophobicContact CD1-CG2 3.83Å; I517-V526 HydrophobicContact CG1-CG2 4.33Å
518	K	96.6	Very high	95	Very high	85 Å²	85	35.7 Å²	35.7	37%	0.37	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.5	175.3	-75.4	-179.2	163.2	129.2	0	110.5	T321 W322 S323 G324 E516 T523	T321-K518 HydrophobicContact CG2-CD 3.87Å; T321-K518 HydrophobicContact CG2-CG 4.2Å; W322-K518 PolarHBondContact O-N 3.05Å; S323-K518 WeakPolarHBondContact CA-O 3.3Å; G324-K518 PolarHBondContact N-O 2.8Å; G324-K518 VanDerWaalsContact N-O 3.16Å; E516-K518 VanDerWaalsContact CD-CE 3.45Å; E516-K518 HydrophobicContact CG-CG 4.3Å; E516-K518 WeakPolarHBondContact OE1-CE 3.49Å; E516-K518 IonicContact OE1-NZ 2.68Å; E516-K518 PolarHBondContact OE1-NZ 3.42Å; E516-K518 WeakPolarHBondContact OE2-CE 3.44Å; E516-K518 IonicContact OE2-NZ 2.7Å; E516-K518 PolarHBondContact OE2-NZ 3.34Å; K518-T523 HydrophobicContact CG-CG2 3.7Å
519	T	92.6	Very high	94.9	Very high	24 Å²	24	30.7 Å²	30.7	15%	0.147	16%	0.164	C	C	.	.			trans	-133.7	172	175.1	67	0	0	0	0	109.7	W322 L326 I517 K521 F522	W322-T519 HydrophobicContact CZ3-CG2 4.26Å; L326-T519 HydrophobicContact CD1-CG2 4.44Å; L326-T519 HydrophobicContact CD2-CG2 3.75Å; L326-T519 HydrophobicContact CG-CG2 3.97Å; I517-T519 HydrophobicContact CG2-CG2 4.2Å; T519-K521 PolarHBondContact O-N 3.31Å; T519-K521 PolarHBondContact OG1-N 3.32Å; T519-F522 HydrophobicContact CG2-CD1 4.41Å; T519-F522 HydrophobicContact CG2-CE1 3.86Å; T519-F522 HydrophobicContact CG2-CE2 4.4Å; T519-F522 HydrophobicContact CG2-CZ 3.85Å; T519-F522 PolarHBondContact N-O 3.36Å; T519-F522 WeakPolarHBondContact OG1-CD1 3.43Å; T519-F522 WeakPolarHBondContact OG1-CE1 3.35Å; T519-F522 PolarHBondContact OG1-N 3.39Å; T519-F522 PolarHBondContact OG1-O 3.29Å
520	T	89.1	Confident	94.8	Very high	106 Å²	106	30.9 Å²	30.9	65%	0.65	17%	0.165	S	C	*	.	S	Bend	trans	-60.9	-27.7	172.2	48.4	0	0	0	0	113.8
521	K	86.3	Confident	94.7	Very high	81 Å²	81	34.1 Å²	34.1	35%	0.352	18%	0.177	S	C	.	.	S	Bend	trans	-104	-21.5	-175.7	-65.8	-165.7	175.2	-179.9	0	114.9	D409 E413 M462 T519	D409-K521 WeakPolarHBondContact OD2-CE 3.4Å; D409-K521 IonicContact OD2-NZ 2.71Å; D409-K521 PolarHBondContact OD2-NZ 3.13Å; E413-K521 IonicContact OE1-NZ 2.85Å; E413-K521 PolarHBondContact OE1-NZ 3.24Å; M462-K521 HydrophobicContact CE-CB 4.26Å; M462-K521 HydrophobicContact CE-CD 3.74Å; M462-K521 HydrophobicContact SD-CB 4.12Å; T519-K521 PolarHBondContact O-N 3.31Å; T519-K521 PolarHBondContact OG1-N 3.32Å
522	F	91.4	Very high	94.6	Very high	19 Å²	19	32.4 Å²	32.4	8%	0.083	16%	0.164	C	C	.	.			trans	-156.8	155.5	178.1	70.3	-88.8	0	0	0	113.2	L326 H460 M462 L463 I517 T519 K524	L326-F522 HydrophobicContact CD1-CE1 4.07Å; L326-F522 HydrophobicContact CD1-CZ 4.41Å; H460-F522 HydrophobicContact CB-CD2 3.87Å; H460-F522 HydrophobicContact CB-CE2 3.62Å; H460-F522 HydrophobicContact CB-CG 4.46Å; H460-F522 HydrophobicContact CB-CZ 4.01Å; H460-F522 AromaticContact CE1-CD1 3.66Å; H460-F522 AromaticContact CE1-CG 3.48Å; H460-F522 VanDerWaalsContact CE1-CG 3.48Å; H460-F522 WeakPolarHBondContact CE1-CG 3.33Å; H460-F522 AromaticContact CG-CD2 3.62Å; H460-F522 AromaticContact CG-CE2 3.86Å; H460-F522 AromaticContact CG-CG 3.79Å; H460-F522 AromaticContact ND1-CD1 3.19Å; H460-F522 WeakPolarHBondContact ND1-CD1 3.42Å; H460-F522 AromaticContact ND1-CD2 3.49Å; H460-F522 WeakPolarHBondContact ND1-CD2 3.33Å; H460-F522 AromaticContact ND1-CE1 3.55Å; H460-F522 AromaticContact ND1-CE2 3.82Å; H460-F522 AromaticContact ND1-CG 3.17Å; H460-F522 WeakPolarHBondContact ND1-CG 3.09Å; H460-F522 AromaticContact ND1-CZ 3.85Å; M462-F522 HydrophobicContact CB-CD1 4.15Å; M462-F522 HydrophobicContact CB-CE1 3.81Å; M462-F522 HydrophobicContact CG-CD1 4.48Å; M462-F522 HydrophobicContact SD-CD1 3.98Å; L463-F522 HydrophobicContact CD2-CZ 3.97Å; L463-F522 HydrophobicContact CG-CZ 4.02Å; I517-F522 HydrophobicContact CB-CE2 4.43Å; I517-F522 HydrophobicContact CG2-CE2 3.87Å; I517-F522 HydrophobicContact CG2-CZ 4.12Å; T519-F522 HydrophobicContact CG2-CD1 4.41Å; T519-F522 HydrophobicContact CG2-CE1 3.86Å; T519-F522 HydrophobicContact CG2-CE2 4.4Å; T519-F522 HydrophobicContact CG2-CZ 3.85Å; T519-F522 PolarHBondContact N-O 3.36Å; T519-F522 WeakPolarHBondContact OG1-CD1 3.43Å; T519-F522 WeakPolarHBondContact OG1-CE1 3.35Å; T519-F522 PolarHBondContact OG1-N 3.39Å; T519-F522 PolarHBondContact OG1-O 3.29Å; F522-K524 HydrophobicContact CD2-CB 3.94Å; F522-K524 HydrophobicContact CE2-CB 4.21Å
523	T	95.1	Very high	94.4	Very high	82 Å²	82	36.1 Å²	36.1	50%	0.503	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.5	160.3	-62.9	0	0	0	0	108.7	E516 I517 K518	E516-T523 HydrophobicContact CG-CG2 3.95Å; E516-T523 WeakPolarHBondContact OE1-CG2 3.38Å; I517-T523 CarbonylContact O-C 3.53Å; I517-T523 VanDerWaalsContact O-CA 3.3Å; I517-T523 WeakPolarHBondContact O-CA 3.42Å; K518-T523 HydrophobicContact CG-CG2 3.7Å
524	K	94.6	Very high	94.2	Very high	53 Å²	53	41.8 Å²	41.8	23%	0.23	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	133.9	178.2	-167.1	70.8	174.1	-176.5	0	111.4	F218 H460 I517 F522	F218-K524 PolarHBondContact O-NZ 2.81Å; H460-K524 HydrophobicContact CB-CB 4.16Å; H460-K524 HydrophobicContact CB-CG 4.24Å; I517-K524 PolarHBondContact N-O 2.83Å; I517-K524 PolarHBondContact O-N 2.89Å; F522-K524 HydrophobicContact CD2-CB 3.94Å; F522-K524 HydrophobicContact CE2-CB 4.21Å
525	K	95.8	Very high	93.9	Very high	44 Å²	44	43.4 Å²	43.4	19%	0.191	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	121.8	170.7	-156	173.4	-65.7	178	0	108.6	N316 E317 A318 F514 V515	N316-K525 WeakPolarHBondContact O-CD 2.89Å; N316-K525 PolarHBondContact O-NZ 2.86Å; E317-K525 IonicContact OE1-NZ 2.74Å; E317-K525 PolarHBondContact OE1-NZ 3.3Å; E317-K525 IonicContact OE2-NZ 2.9Å; E317-K525 PolarHBondContact OE2-NZ 2.95Å; A318-K525 HydrophobicContact CB-CD 4.2Å; A318-K525 HydrophobicContact CB-CG 4.25Å; F514-K525 HydrophobicContact CB-CD 4.44Å; F514-K525 HydrophobicContact CB-CG 4.32Å; V515-K525 CarbonylContact O-C 3.6Å; V515-K525 WeakPolarHBondContact O-CA 3.2Å
526	V	96.6	Very high	93.8	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	149	176.7	-57.5	0	0	0	0	110.1	V456 L459 F514 V515 I517	V456-V526 HydrophobicContact CG1-CB 4.23Å; V456-V526 HydrophobicContact CG1-CG2 4.21Å; L459-V526 HydrophobicContact CD2-CB 4.47Å; L459-V526 HydrophobicContact CD2-CG1 4.07Å; F514-V526 WeakPolarHBondContact CA-O 3.36Å; V515-V526 HydrophobicContact CB-CG2 3.94Å; V515-V526 PolarHBondContact N-O 2.76Å; V515-V526 WeakPolarHBondContact O-CG2 3.36Å; V515-V526 PolarHBondContact O-N 2.91Å; I517-V526 HydrophobicContact CD1-CG1 3.88Å; I517-V526 HydrophobicContact CD1-CG2 3.83Å; I517-V526 HydrophobicContact CG1-CG2 4.33Å
527	Q	96.1	Very high	93.8	Very high	9 Å²	9	47.1 Å²	47.1	4%	0.042	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132.6	-177.3	171.8	169.4	-27.3	0	0	110.2	H309 A313 V456 G457 A513 F514 D529	H309-Q527 PolarHBondContact CD2-NE2 3.5Å; H309-Q527 VanDerWaalsContact CD2-NE2 3.31Å; H309-Q527 PolarHBondContact NE2-NE2 2.95Å; H309-Q527 PolarHBondContact O-NE2 2.73Å; H309-Q527 PolarHBondContact O-OE1 3.44Å; A313-Q527 HydrophobicContact CB-CB 4.04Å; V456-Q527 CarbonylContact C-O 3.59Å; V456-Q527 VanDerWaalsContact CA-O 3.25Å; V456-Q527 WeakPolarHBondContact CA-O 3.4Å; G457-Q527 PolarHBondContact N-O 3.33Å; G457-Q527 PolarHBondContact O-N 2.76Å; A513-Q527 CarbonylContact O-C 3.47Å; A513-Q527 WeakPolarHBondContact O-CA 3.2Å; F514-Q527 HydrophobicContact CD1-CB 4.05Å; F514-Q527 HydrophobicContact CD1-CG 4.31Å; F514-Q527 HydrophobicContact CE1-CB 3.95Å; F514-Q527 HydrophobicContact CE1-CG 3.8Å; Q527-D529 PolarHBondContact NE2-OD2 3.22Å
528	I	96.8	Very high	93.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.7	177.7	-55.5	-178.1	0	0	0	108.6	V454 F455 V456 L472 F476 A509 A513 V515 R550	V454-I528 HydrophobicContact CB-CG2 3.76Å; V454-I528 HydrophobicContact CG1-CG2 3.97Å; V454-I528 HydrophobicContact CG2-CG2 3.91Å; F455-I528 WeakPolarHBondContact O-CA 3.49Å; V456-I528 HydrophobicContact CG1-CG1 4.38Å; L472-I528 HydrophobicContact CD2-CD1 3.71Å; F476-I528 HydrophobicContact CE2-CD1 3.91Å; F476-I528 HydrophobicContact CZ-CD1 4.37Å; A509-I528 HydrophobicContact CB-CG2 4.28Å; A513-I528 PolarHBondContact O-N 2.75Å; V515-I528 HydrophobicContact CG2-CD1 3.55Å; V515-I528 HydrophobicContact CG2-CG1 4.35Å; I528-R550 PolarHBondContact O-NH2 2.95Å
529	D	95.3	Very high	93.7	Very high	15 Å²	15	51.7 Å²	51.7	8%	0.08	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	157.2	177.5	-67	-41.1	0	0	0	110.1	H309 V454 F455 Q527 Y531 R550 L578	H309-D529 IonicContact NE2-OD1 3.25Å; H309-D529 PolarHBondContact NE2-OD1 3.45Å; H309-D529 IonicContact NE2-OD2 2.72Å; H309-D529 PolarHBondContact NE2-OD2 2.89Å; H309-D529 VanDerWaalsContact NE2-OD2 3.1Å; V454-D529 CarbonylContact C-O 3.34Å; V454-D529 WeakPolarHBondContact CA-O 3.48Å; V454-D529 WeakPolarHBondContact CB-O 3.23Å; F455-D529 HydrophobicContact CD1-CB 4.42Å; F455-D529 PolarHBondContact N-O 3.13Å; F455-D529 PolarHBondContact O-N 3.42Å; Q527-D529 PolarHBondContact NE2-OD2 3.22Å; D529-Y531 PolarHBondContact O-N 3.38Å; D529-R550 IonicContact OD1-CZ 2.79Å; D529-R550 IonicContact OD1-NH1 2.67Å; D529-R550 PolarHBondContact OD1-NH1 3.41Å; D529-R550 IonicContact OD1-NH2 3.35Å; D529-L578 HydrophobicContact CB-CD1 4.43Å
530	P	95.3	Very high	93.8	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.019	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	137.5	165.9	-23.5	34.4	0	0	0	111	V510 L532 F548 F555 L578	V510-P530 HydrophobicContact CG1-CG 3.76Å; V510-P530 HydrophobicContact CG2-CG 4.13Å; P530-L532 HydrophobicContact CB-CD2 4.27Å; P530-L532 PolarHBondContact O-N 2.81Å; P530-F548 HydrophobicContact CB-CE1 4.15Å; P530-F548 HydrophobicContact CB-CZ 4.47Å; P530-F548 HydrophobicContact CG-CD1 4.43Å; P530-F548 HydrophobicContact CG-CE1 3.82Å; P530-F548 HydrophobicContact CG-CZ 4.45Å; P530-F555 HydrophobicContact CB-CZ 4.45Å; P530-F555 HydrophobicContact CG-CE2 4Å; P530-F555 HydrophobicContact CG-CZ 3.99Å; P530-L578 HydrophobicContact CG-CD1 4.28Å
531	Y	94.5	Very high	94.1	Very high	72 Å²	72	51.6 Å²	51.6	28%	0.282	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-69.8	125.4	169.6	-175.7	-112	0	0	0	109.7	P450 T453 R497 D529 E533	P450-Y531 HydrophobicContact CB-CD1 4.36Å; T453-Y531 HydrophobicContact CG2-CD1 4.43Å; T453-Y531 HydrophobicContact CG2-CG 4.16Å; T453-Y531 WeakPolarHBondContact O-CB 3.49Å; T453-Y531 PolarHBondContact O-N 3.08Å; T453-Y531 VanDerWaalsContact O-N 3.12Å; R497-Y531 HydrophobicContact CG-CD2 3.98Å; R497-Y531 HydrophobicContact CG-CE2 4.07Å; D529-Y531 PolarHBondContact O-N 3.38Å; Y531-E533 HydrophobicContact CD1-CG 4.42Å; Y531-E533 HydrophobicContact CE1-CG 4.4Å
532	L	92.8	Very high	94.5	Very high	21 Å²	21	52.6 Å²	52.6	11%	0.11	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-99.9	120.7	-171.6	-60.1	-174.7	0	0	0	112.3	P530 F548 Y557 L578 R580	P530-L532 HydrophobicContact CB-CD2 4.27Å; P530-L532 PolarHBondContact O-N 2.81Å; L532-F548 HydrophobicContact CD1-CB 4.27Å; L532-F548 HydrophobicContact CD2-CB 3.58Å; L532-F548 HydrophobicContact CD2-CD1 3.96Å; L532-F548 HydrophobicContact CD2-CD2 4.03Å; L532-F548 HydrophobicContact CD2-CG 3.57Å; L532-Y557 HydrophobicContact CD2-CE1 4.16Å; L532-L578 HydrophobicContact CD1-CB 3.94Å; L532-R580 HydrophobicContact CB-CB 4.41Å
533	E	90.1	Very high	94.6	Very high	87 Å²	87	57 Å²	57	41%	0.407	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-98.5	162	175	-61.3	-168.8	106.4	0	0	111.3	P450 Y531 S535 Y557	P450-E533 HydrophobicContact CB-CG 4.07Å; P450-E533 WeakPolarHBondContact CB-OE1 3.42Å; P450-E533 WeakPolarHBondContact CB-OE2 3.34Å; P450-E533 VanDerWaalsContact CG-OE1 3.3Å; P450-E533 WeakPolarHBondContact CG-OE1 3.29Å; Y531-E533 HydrophobicContact CD1-CG 4.42Å; Y531-E533 HydrophobicContact CE1-CG 4.4Å; E533-S535 PolarHBondContact O-N 2.69Å; E533-Y557 PolarHBondContact N-OH 3.31Å; E533-Y557 WeakPolarHBondContact O-CE1 3.43Å
534	D	90.1	Very high	94.5	Very high	129 Å²	129	57 Å²	57	69%	0.69	31%	0.309	S	S	*	.			trans	-74.2	112.3	172.3	-64.9	-57.2	0	0	0	109	R580	D534-R580 IonicContact OD1-CZ 3.16Å; D534-R580 VanDerWaalsContact OD1-CZ 3.32Å; D534-R580 IonicContact OD1-NH1 3.5Å; D534-R580 PolarHBondContact OD1-NH1 3.24Å; D534-R580 IonicContact OD1-NH2 2.81Å; D534-R580 PolarHBondContact OD1-NH2 2.84Å; D534-R580 VanDerWaalsContact OD1-NH2 3.1Å; D534-R580 IonicContact OD2-CZ 3.6Å; D534-R580 IonicContact OD2-NH1 2.76Å; D534-R580 PolarHBondContact OD2-NH1 2.88Å; D534-R580 IonicContact OD2-NH2 3.22Å; D534-R580 PolarHBondContact OD2-NH2 3.22Å
535	S	91.8	Very high	94.5	Very high	45 Å²	45	54.7 Å²	54.7	32%	0.315	30%	0.3	S	S	.	.			trans	-132	157.1	-173.5	-80.5	0	0	0	0	112.5	E533 G545 Y557	E533-S535 PolarHBondContact O-N 2.69Å; S535-G545 PolarHBondContact O-N 2.94Å; S535-Y557 WeakPolarHBondContact OG-CE2 3.46Å
536	L	95.4	Very high	94.3	Very high	112 Å²	112	54.7 Å²	54.7	59%	0.586	31%	0.305	S	S	*	.	B	Isolated β-bridge	trans	-78.4	154.5	171.7	-66.2	168.2	0	0	0	110.9	H538	L536-H538 PolarHBondContact O-N 2.71Å
537	C	96.4	Very high	94.2	Very high	1 Å²	1	55 Å²	55	1%	0.007	31%	0.306	C	S	.	.			trans	-62.3	124.8	174.5	175.5	0	0	0	0	110.9	I539 C540 S541 Q543 C559 C562	C537-I539 VanDerWaalsContact C-N 3.28Å; C537-I539 PolarHBondContact O-N 3.43Å; C537-C540 VanDerWaalsContact SG-SG 3.62Å; C537-S541 VanDerWaalsContact O-CA 3.31Å; C537-S541 WeakPolarHBondContact O-CA 3.35Å; C537-S541 PolarHBondContact O-N 3.11Å; C537-Q543 WeakPolarHBondContact CB-O 3.35Å; C537-Q543 PolarHBondContact N-O 2.66Å; C537-C559 HydrophobicContact CB-CB 3.92Å; C537-C559 PolarHBondContact SG-N 3.04Å; C537-C559 VanDerWaalsContact SG-SG 3.69Å; C537-C562 VanDerWaalsContact SG-CB 3.51Å
538	H	95.8	Very high	94.1	Very high	108 Å²	108	55 Å²	55	50%	0.5	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-29.8	-175.5	-179.2	38.1	0	0	0	114.3	L536 K556 Y557	L536-H538 PolarHBondContact O-N 2.71Å; H538-K556 HydrophobicContact CB-CB 3.99Å; H538-K556 HydrophobicContact CB-CG 4.38Å; H538-K556 VanDerWaalsContact CD2-CG 3.42Å; H538-K556 WeakPolarHBondContact CD2-CG 3.27Å; H538-Y557 WeakPolarHBondContact CB-O 3.34Å; H538-Y557 PolarHBondContact N-O 3.29Å
539	I	95.3	Very high	93.9	Very high	73 Å²	73	55 Å²	55	37%	0.374	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-45.8	-177.3	-68.7	173.8	0	0	0	112	C537 F558 C562 W565 R566	C537-I539 VanDerWaalsContact C-N 3.28Å; C537-I539 PolarHBondContact O-N 3.43Å; I539-F558 HydrophobicContact CD1-CD1 3.87Å; I539-F558 HydrophobicContact CD1-CE1 3.7Å; I539-F558 HydrophobicContact CG1-CD1 4.22Å; I539-F558 HydrophobicContact CG1-CE1 4.03Å; I539-C562 HydrophobicContact CB-CB 4.16Å; I539-C562 HydrophobicContact CD1-CB 4.19Å; I539-W565 HydrophobicContact CD1-CE3 4.03Å; I539-W565 HydrophobicContact CD1-CZ3 4.11Å; I539-R566 HydrophobicContact CD1-CB 4.06Å
540	C	95.8	Very high	93.7	Very high	49 Å²	49	55.7 Å²	55.7	33%	0.331	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-15.9	-172.7	71.1	0	0	0	0	115	C537 S542	C537-C540 VanDerWaalsContact SG-SG 3.62Å; C540-S542 PolarHBondContact O-N 2.8Å; C540-S542 PolarHBondContact O-OG 3.47Å
541	S	95.4	Very high	93.5	Very high	80 Å²	80	57.9 Å²	57.9	56%	0.559	32%	0.319	S	S	*	.	S	Bend	trans	56.2	-13.1	-179.2	-58.8	0	0	0	0	117.6	C537	C537-S541 VanDerWaalsContact O-CA 3.31Å; C537-S541 WeakPolarHBondContact O-CA 3.35Å; C537-S541 PolarHBondContact O-N 3.11Å
542	S	94	Very high	93.3	Very high	102 Å²	102	61.3 Å²	61.3	71%	0.713	34%	0.338	S	S	*	.	S	Bend	trans	-98.2	-3.2	-174.1	-53.8	0	0	0	0	114.9	C540	C540-S542 PolarHBondContact O-N 2.8Å; C540-S542 PolarHBondContact O-OG 3.47Å
543	Q	92.9	Very high	93.2	Very high	112 Å²	112	65.5 Å²	65.5	52%	0.523	36%	0.364	S	S	.	.	S	Bend	trans	-131.5	149.9	-178	-70	-68.1	-24.8	0	0	109.8	C537 C559	C537-Q543 WeakPolarHBondContact CB-O 3.35Å; C537-Q543 PolarHBondContact N-O 2.66Å; Q543-C559 HydrophobicContact CB-CB 4.1Å
544	P	93.8	Very high	93.3	Very high	81 Å²	81	61.9 Å²	61.9	53%	0.526	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-59.9	147.4	171.6	27.4	-34.7	0	0	0	110.6	P546 C559	P544-P546 VanDerWaalsContact C-CD 3.42Å; P544-P546 WeakPolarHBondContact O-CD 3.35Å; P544-C559 VanDerWaalsContact O-CB 3.27Å; P544-C559 WeakPolarHBondContact O-CB 3.26Å
545	G	94.1	Very high	93.5	Very high	4 Å²	4	58 Å²	58	4%	0.041	33%	0.325	C	S	.	.			trans	-108.8	76	176.9	0	0	0	0	0	112.1	S535 F547 Y557 F558	S535-G545 PolarHBondContact O-N 2.94Å; G545-F547 PolarHBondContact O-N 2.82Å; G545-Y557 WeakPolarHBondContact O-CD1 3.42Å; G545-F558 CarbonylContact C-O 3.47Å; G545-F558 VanDerWaalsContact CA-C 3.46Å; G545-F558 WeakPolarHBondContact CA-O 3.09Å
546	P	92.7	Very high	93.6	Very high	45 Å²	45	60.5 Å²	60.5	29%	0.292	33%	0.331	S	S	.	.			trans	-70.9	-13.1	-176.2	30.4	-37.3	0	0	0	114.2	P544 M579	P544-P546 VanDerWaalsContact C-CD 3.42Å; P544-P546 WeakPolarHBondContact O-CD 3.35Å; P546-M579 HydrophobicContact CB-CE 4.42Å
547	F	93.3	Very high	93.6	Very high	6 Å²	6	57 Å²	57	3%	0.026	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.2	177.2	-47.4	-78.3	0	0	0	109.8	I302 E303 G545 Y557 F558 R560 W563 M579	I302-F547 HydrophobicContact CB-CD1 4.14Å; I302-F547 HydrophobicContact CB-CE1 3.79Å; I302-F547 HydrophobicContact CB-CZ 4.35Å; I302-F547 HydrophobicContact CD1-CE1 4.43Å; I302-F547 HydrophobicContact CD1-CE2 4.36Å; I302-F547 HydrophobicContact CD1-CZ 4.27Å; I302-F547 HydrophobicContact CG2-CD1 3.34Å; I302-F547 HydrophobicContact CG2-CE1 3.54Å; I302-F547 HydrophobicContact CG2-CG 4.01Å; I302-F547 HydrophobicContact CG2-CZ 4.38Å; E303-F547 HydrophobicContact CG-CE1 4.27Å; E303-F547 WeakPolarHBondContact OE1-CZ 3.43Å; G545-F547 PolarHBondContact O-N 2.82Å; F547-Y557 CarbonylContact O-C 3.55Å; F547-Y557 WeakPolarHBondContact O-CA 3.18Å; F547-F558 WeakPolarHBondContact CD2-O 3.34Å; F547-F558 PolarHBondContact N-O 3.15Å; F547-F558 PolarHBondContact O-N 3.11Å; F547-R560 HydrophobicContact CE2-CB 3.85Å; F547-R560 HydrophobicContact CE2-CG 4.44Å; F547-R560 HydrophobicContact CZ-CB 4.48Å; F547-W563 HydrophobicContact CB-CD2 4.44Å; F547-W563 HydrophobicContact CB-CE3 3.76Å; F547-W563 HydrophobicContact CB-CZ3 4.26Å; F547-M579 HydrophobicContact CD1-CE 3.95Å; F547-M579 HydrophobicContact CD1-CG 3.62Å; F547-M579 HydrophobicContact CD1-SD 3.6Å; F547-M579 VanDerWaalsContact CD1-SD 3.6Å; F547-M579 HydrophobicContact CE1-CE 3.52Å; F547-M579 HydrophobicContact CE1-CG 4.09Å; F547-M579 HydrophobicContact CE1-SD 3.41Å; F547-M579 WeakPolarHBondContact CE1-SD 3.4Å; F547-M579 HydrophobicContact CZ-CE 4.18Å
548	F	94.4	Very high	93.5	Very high	10 Å²	10	57.1 Å²	57.1	4%	0.044	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130.3	171.3	-177.6	-86.1	0	0	0	109.7	P530 L532 F555 K556 Y557 L578	P530-F548 HydrophobicContact CB-CE1 4.15Å; P530-F548 HydrophobicContact CB-CZ 4.47Å; P530-F548 HydrophobicContact CG-CD1 4.43Å; P530-F548 HydrophobicContact CG-CE1 3.82Å; P530-F548 HydrophobicContact CG-CZ 4.45Å; L532-F548 HydrophobicContact CD1-CB 4.27Å; L532-F548 HydrophobicContact CD2-CB 3.58Å; L532-F548 HydrophobicContact CD2-CD1 3.96Å; L532-F548 HydrophobicContact CD2-CD2 4.03Å; L532-F548 HydrophobicContact CD2-CG 3.57Å; F548-F555 AromaticContact CE1-CD2 3.99Å; F548-F555 HydrophobicContact CE1-CD2 3.99Å; F548-F555 AromaticContact CE1-CE2 3.89Å; F548-F555 HydrophobicContact CE1-CE2 3.89Å; F548-F555 HydrophobicContact CE1-CG 4.42Å; F548-F555 HydrophobicContact CE1-CZ 4.24Å; F548-F555 AromaticContact CZ-CD1 3.87Å; F548-F555 HydrophobicContact CZ-CD1 3.87Å; F548-F555 AromaticContact CZ-CD2 3.88Å; F548-F555 HydrophobicContact CZ-CD2 3.88Å; F548-F555 AromaticContact CZ-CE1 3.87Å; F548-F555 HydrophobicContact CZ-CE1 3.87Å; F548-F555 AromaticContact CZ-CE2 3.87Å; F548-F555 HydrophobicContact CZ-CE2 3.87Å; F548-F555 AromaticContact CZ-CG 3.87Å; F548-F555 HydrophobicContact CZ-CG 3.87Å; F548-F555 AromaticContact CZ-CZ 3.87Å; F548-F555 HydrophobicContact CZ-CZ 3.87Å; F548-K556 WeakPolarHBondContact CA-O 3.3Å; F548-Y557 HydrophobicContact CB-CD1 3.96Å; F548-Y557 HydrophobicContact CB-CE1 3.99Å; F548-Y557 AromaticContact CD2-CD1 3.82Å; F548-Y557 HydrophobicContact CD2-CD1 3.82Å; F548-Y557 AromaticContact CD2-CD2 3.89Å; F548-Y557 HydrophobicContact CD2-CD2 3.89Å; F548-Y557 AromaticContact CD2-CE1 3.7Å; F548-Y557 HydrophobicContact CD2-CE1 3.7Å; F548-Y557 AromaticContact CD2-CE2 3.76Å; F548-Y557 HydrophobicContact CD2-CE2 3.76Å; F548-Y557 AromaticContact CD2-CG 3.93Å; F548-Y557 HydrophobicContact CD2-CG 3.93Å; F548-Y557 AromaticContact CD2-CZ 3.66Å; F548-Y557 HydrophobicContact CE2-CD2 4.33Å; F548-Y557 HydrophobicContact CE2-CE2 4.05Å; F548-Y557 HydrophobicContact CG-CD1 4.4Å; F548-Y557 HydrophobicContact CG-CE1 4.27Å; F548-L578 HydrophobicContact CB-CB 4.38Å; F548-L578 HydrophobicContact CD1-CD1 4.19Å; F548-L578 PolarHBondContact N-O 3.23Å; F548-L578 PolarHBondContact O-N 3.06Å
549	C	93.8	Very high	93.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	121.7	175.8	-177.1	0	0	0	0	110.3	D551 C554 F555 K556 F558 W563 H575	C549-D551 VanDerWaalsContact C-N 3.29Å; C549-D551 PolarHBondContact O-N 2.97Å; C549-C554 HydrophobicContact CB-CB 3.72Å; C549-C554 WeakPolarHBondContact SG-CB 3.3Å; C549-F555 WeakPolarHBondContact O-CA 3.39Å; C549-K556 PolarHBondContact N-O 3.3Å; C549-F558 HydrophobicContact CB-CD2 4.25Å; C549-F558 HydrophobicContact CB-CE2 3.74Å; C549-W563 HydrophobicContact CB-CH2 3.81Å; C549-W563 HydrophobicContact CB-CZ3 3.56Å; C549-H575 PolarHBondContact SG-ND1 3.3Å
550	R	90.7	Very high	93.3	Very high	29 Å²	29	53.7 Å²	53.7	11%	0.109	29%	0.29	C	S	.	.			trans	-63	-36	-179.7	-167.7	-163.7	-175.1	90.5	22.7	112.8	H309 V510 A513 I528 D529 F555 S576 L578	H309-R550 PolarHBondContact CE1-NH1 3.47Å; H309-R550 PolarHBondContact NE2-NH1 3.01Å; V510-R550 PolarHBondContact O-NH2 3.35Å; A513-R550 VanDerWaalsContact CB-NH2 3.27Å; I528-R550 PolarHBondContact O-NH2 2.95Å; D529-R550 IonicContact OD1-CZ 2.79Å; D529-R550 IonicContact OD1-NH1 2.67Å; D529-R550 PolarHBondContact OD1-NH1 3.41Å; D529-R550 IonicContact OD1-NH2 3.35Å; R550-F555 WeakPolarHBondContact O-CD2 3.04Å; R550-S576 PolarHBondContact N-O 3.27Å; R550-L578 HydrophobicContact CB-CD1 4.11Å; R550-L578 HydrophobicContact CB-CG 4.22Å; R550-L578 HydrophobicContact CG-CD1 4.24Å
551	D	91.5	Very high	93.2	Very high	49 Å²	49	55.7 Å²	55.7	26%	0.262	31%	0.305	S	S	.	.	S	Bend	trans	-70.9	135.6	-164.5	-57.7	-88.4	0	0	0	112.6	C549 V553 C554 F555 H575 S576	C549-D551 VanDerWaalsContact C-N 3.29Å; C549-D551 PolarHBondContact O-N 2.97Å; D551-V553 PolarHBondContact O-N 2.82Å; D551-C554 PolarHBondContact O-N 3.1Å; D551-F555 PolarHBondContact O-N 2.72Å; D551-H575 IonicContact OD1-CD2 2.78Å; D551-H575 WeakPolarHBondContact OD2-CA 3.41Å; D551-H575 WeakPolarHBondContact OD2-CB 3.39Å; D551-H575 IonicContact OD2-CD2 2.8Å; D551-H575 IonicContact OD2-CG 3.23Å; D551-S576 PolarHBondContact OD2-N 3.25Å
552	Q	88.8	Confident	93.1	Very high	145 Å²	145	52.6 Å²	52.6	68%	0.678	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.3	-170	-64	-176.5	3.3	0	0	114	S511 C554	S511-Q552 PolarHBondContact OG-NE2 3.47Å; Q552-C554 VanDerWaalsContact C-N 3.28Å; Q552-C554 PolarHBondContact O-N 3.16Å
553	V	91.2	Very high	93.1	Very high	108 Å²	108	48.3 Å²	48.3	66%	0.655	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-22.4	177.7	-178.5	0	0	0	0	112.4	D551 L572	D551-V553 PolarHBondContact O-N 2.82Å; V553-L572 HydrophobicContact CG1-CD2 4.33Å
554	C	92.9	Very high	93.1	Very high	12 Å²	12	46.7 Å²	46.7	8%	0.081	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-52.5	179.3	-84	0	0	0	0	112.7	C549 D551 Q552 K556 F558 H567	C549-C554 HydrophobicContact CB-CB 3.72Å; C549-C554 WeakPolarHBondContact SG-CB 3.3Å; D551-C554 PolarHBondContact O-N 3.1Å; Q552-C554 VanDerWaalsContact C-N 3.28Å; Q552-C554 PolarHBondContact O-N 3.16Å; C554-K556 VanDerWaalsContact C-N 3.25Å; C554-K556 VanDerWaalsContact O-CB 3.3Å; C554-K556 WeakPolarHBondContact O-CB 3.44Å; C554-K556 WeakPolarHBondContact O-CG 3.16Å; C554-K556 PolarHBondContact O-N 2.8Å; C554-F558 HydrophobicContact CB-CE2 4.33Å; C554-F558 HydrophobicContact CB-CZ 4.3Å; C554-H567 PolarHBondContact SG-NE2 3.26Å; C554-H567 VanDerWaalsContact SG-NE2 3.35Å
555	F	93	Very high	92.9	Very high	47 Å²	47	51 Å²	51	21%	0.206	25%	0.249	C	C	.	.			trans	33.8	44.8	172.5	-145.8	-102.6	0	0	0	117.3	Y506 L507 V510 P530 F548 C549 R550 D551	Y506-F555 HydrophobicContact CE1-CE1 4.26Å; Y506-F555 HydrophobicContact CE1-CZ 4.2Å; L507-F555 HydrophobicContact CD2-CE1 4.44Å; L507-F555 HydrophobicContact CD2-CZ 4.42Å; V510-F555 HydrophobicContact CG1-CE2 3.88Å; V510-F555 HydrophobicContact CG1-CZ 4.17Å; P530-F555 HydrophobicContact CB-CZ 4.45Å; P530-F555 HydrophobicContact CG-CE2 4Å; P530-F555 HydrophobicContact CG-CZ 3.99Å; F548-F555 AromaticContact CE1-CD2 3.99Å; F548-F555 HydrophobicContact CE1-CD2 3.99Å; F548-F555 AromaticContact CE1-CE2 3.89Å; F548-F555 HydrophobicContact CE1-CE2 3.89Å; F548-F555 HydrophobicContact CE1-CG 4.42Å; F548-F555 HydrophobicContact CE1-CZ 4.24Å; F548-F555 AromaticContact CZ-CD1 3.87Å; F548-F555 HydrophobicContact CZ-CD1 3.87Å; F548-F555 AromaticContact CZ-CD2 3.88Å; F548-F555 HydrophobicContact CZ-CD2 3.88Å; F548-F555 AromaticContact CZ-CE1 3.87Å; F548-F555 HydrophobicContact CZ-CE1 3.87Å; F548-F555 AromaticContact CZ-CE2 3.87Å; F548-F555 HydrophobicContact CZ-CE2 3.87Å; F548-F555 AromaticContact CZ-CG 3.87Å; F548-F555 HydrophobicContact CZ-CG 3.87Å; F548-F555 AromaticContact CZ-CZ 3.87Å; F548-F555 HydrophobicContact CZ-CZ 3.87Å; C549-F555 WeakPolarHBondContact O-CA 3.39Å; R550-F555 WeakPolarHBondContact O-CD2 3.04Å; D551-F555 PolarHBondContact O-N 2.72Å
556	K	94.7	Very high	92.7	Very high	98 Å²	98	54 Å²	54	43%	0.426	26%	0.26	S	S	.	.	S	Bend	trans	-148.8	166.7	-171.3	-68.1	-70.2	178.4	-159.2	0	111.5	H538 F548 C549 C554 F558	H538-K556 HydrophobicContact CB-CB 3.99Å; H538-K556 HydrophobicContact CB-CG 4.38Å; H538-K556 VanDerWaalsContact CD2-CG 3.42Å; H538-K556 WeakPolarHBondContact CD2-CG 3.27Å; F548-K556 WeakPolarHBondContact CA-O 3.3Å; C549-K556 PolarHBondContact N-O 3.3Å; C554-K556 VanDerWaalsContact C-N 3.25Å; C554-K556 VanDerWaalsContact O-CB 3.3Å; C554-K556 WeakPolarHBondContact O-CB 3.44Å; C554-K556 WeakPolarHBondContact O-CG 3.16Å; C554-K556 PolarHBondContact O-N 2.8Å; K556-F558 HydrophobicContact CB-CE2 4.01Å; K556-F558 HydrophobicContact CB-CZ 3.98Å; K556-F558 VanDerWaalsContact O-CD2 3.27Å; K556-F558 WeakPolarHBondContact O-CD2 3.41Å; K556-F558 WeakPolarHBondContact O-CE2 3.46Å
557	Y	95	Very high	92.6	Very high	37 Å²	37	52.5 Å²	52.5	15%	0.145	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	140.7	174.9	-62.7	-86.6	0	0	0	111.9	L532 E533 S535 H538 G545 F547 F548	L532-Y557 HydrophobicContact CD2-CE1 4.16Å; E533-Y557 PolarHBondContact N-OH 3.31Å; E533-Y557 WeakPolarHBondContact O-CE1 3.43Å; S535-Y557 WeakPolarHBondContact OG-CE2 3.46Å; H538-Y557 WeakPolarHBondContact CB-O 3.34Å; H538-Y557 PolarHBondContact N-O 3.29Å; G545-Y557 WeakPolarHBondContact O-CD1 3.42Å; F547-Y557 CarbonylContact O-C 3.55Å; F547-Y557 WeakPolarHBondContact O-CA 3.18Å; F548-Y557 HydrophobicContact CB-CD1 3.96Å; F548-Y557 HydrophobicContact CB-CE1 3.99Å; F548-Y557 AromaticContact CD2-CD1 3.82Å; F548-Y557 HydrophobicContact CD2-CD1 3.82Å; F548-Y557 AromaticContact CD2-CD2 3.89Å; F548-Y557 HydrophobicContact CD2-CD2 3.89Å; F548-Y557 AromaticContact CD2-CE1 3.7Å; F548-Y557 HydrophobicContact CD2-CE1 3.7Å; F548-Y557 AromaticContact CD2-CE2 3.76Å; F548-Y557 HydrophobicContact CD2-CE2 3.76Å; F548-Y557 AromaticContact CD2-CG 3.93Å; F548-Y557 HydrophobicContact CD2-CG 3.93Å; F548-Y557 AromaticContact CD2-CZ 3.66Å; F548-Y557 HydrophobicContact CE2-CD2 4.33Å; F548-Y557 HydrophobicContact CE2-CE2 4.05Å; F548-Y557 HydrophobicContact CG-CD1 4.4Å; F548-Y557 HydrophobicContact CG-CE1 4.27Å
558	F	94.8	Very high	92.3	Very high	5 Å²	5	55.1 Å²	55.1	2%	0.022	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	145.7	-178.7	-57.4	-86.4	0	0	0	111.1	I539 G545 F547 C549 C554 K556 C562 W563 R566 H567	I539-F558 HydrophobicContact CD1-CD1 3.87Å; I539-F558 HydrophobicContact CD1-CE1 3.7Å; I539-F558 HydrophobicContact CG1-CD1 4.22Å; I539-F558 HydrophobicContact CG1-CE1 4.03Å; G545-F558 CarbonylContact C-O 3.47Å; G545-F558 VanDerWaalsContact CA-C 3.46Å; G545-F558 WeakPolarHBondContact CA-O 3.09Å; F547-F558 WeakPolarHBondContact CD2-O 3.34Å; F547-F558 PolarHBondContact N-O 3.15Å; F547-F558 PolarHBondContact O-N 3.11Å; C549-F558 HydrophobicContact CB-CD2 4.25Å; C549-F558 HydrophobicContact CB-CE2 3.74Å; C554-F558 HydrophobicContact CB-CE2 4.33Å; C554-F558 HydrophobicContact CB-CZ 4.3Å; K556-F558 HydrophobicContact CB-CE2 4.01Å; K556-F558 HydrophobicContact CB-CZ 3.98Å; K556-F558 VanDerWaalsContact O-CD2 3.27Å; K556-F558 WeakPolarHBondContact O-CD2 3.41Å; K556-F558 WeakPolarHBondContact O-CE2 3.46Å; F558-C562 HydrophobicContact CD1-CB 4.44Å; F558-W563 HydrophobicContact CB-CB 4.2Å; F558-W563 HydrophobicContact CB-CE3 4.26Å; F558-W563 AromaticContact CD2-CE3 3.96Å; F558-W563 HydrophobicContact CD2-CE3 3.96Å; F558-W563 HydrophobicContact CD2-CZ3 4.22Å; F558-W563 HydrophobicContact CG-CE3 4.4Å; F558-R566 HydrophobicContact CE1-CB 4.46Å; F558-R566 HydrophobicContact CE1-CG 4.26Å; F558-R566 HydrophobicContact CZ-CG 4.45Å; F558-H567 AromaticContact CE2-CE1 3.98Å
559	C	94.4	Very high	91.9	Very high	15 Å²	15	59.2 Å²	59.2	10%	0.101	29%	0.288	C	S	.	.			trans	-82.1	164.3	163.1	73	0	0	0	0	110.3	C537 Q543 P544 S561 C562 W563	C537-C559 HydrophobicContact CB-CB 3.92Å; C537-C559 PolarHBondContact SG-N 3.04Å; C537-C559 VanDerWaalsContact SG-SG 3.69Å; Q543-C559 HydrophobicContact CB-CB 4.1Å; P544-C559 VanDerWaalsContact O-CB 3.27Å; P544-C559 WeakPolarHBondContact O-CB 3.26Å; C559-S561 PolarHBondContact O-N 3.38Å; C559-C562 PolarHBondContact O-N 3.27Å; C559-W563 PolarHBondContact O-N 3.04Å
560	R	92.6	Very high	91	Very high	93 Å²	93	65.8 Å²	65.8	35%	0.351	32%	0.319	S	S	.	.	H	α-helix	trans	-50.1	-50.5	-173.4	-170.9	172.1	179.7	108.2	3.7	113.3	D298 I302 E303 F547 C562 W563 H564	D298-R560 IonicContact OD2-NH2 3.86Å; I302-R560 HydrophobicContact CD1-CG 4.03Å; E303-R560 IonicContact OE1-CZ 3.81Å; E303-R560 IonicContact OE1-NH1 3.72Å; E303-R560 PolarHBondContact OE1-NH1 2.75Å; E303-R560 IonicContact OE2-CZ 3.99Å; E303-R560 IonicContact OE2-NH1 3.78Å; E303-R560 PolarHBondContact OE2-NH1 3.27Å; F547-R560 HydrophobicContact CE2-CB 3.85Å; F547-R560 HydrophobicContact CE2-CG 4.44Å; F547-R560 HydrophobicContact CZ-CB 4.48Å; R560-C562 PolarHBondContact O-N 3.45Å; R560-W563 PolarHBondContact O-N 2.9Å; R560-H564 PolarHBondContact NE-NE2 3.16Å; R560-H564 PolarHBondContact O-CD2 2.89Å; R560-H564 PolarHBondContact O-N 2.67Å; R560-H564 VanDerWaalsContact O-N 3.12Å
561	S	93.1	Very high	90.4	Very high	92 Å²	92	66.6 Å²	66.6	64%	0.643	34%	0.336	S	S	*	.	H	α-helix	trans	-64.2	-40.4	-179	-40.5	0	0	0	0	112.6	C559 W565	C559-S561 PolarHBondContact O-N 3.38Å; S561-W565 WeakPolarHBondContact O-CB 3.42Å; S561-W565 PolarHBondContact O-N 2.63Å
562	C	94.4	Very high	90.2	Very high	15 Å²	15	65.3 Å²	65.3	10%	0.101	33%	0.329	C	S	.	.	H	α-helix	trans	-72.6	-30.7	178.4	-69.6	0	0	0	0	112.4	C537 I539 F558 C559 R560 R566	C537-C562 VanDerWaalsContact SG-CB 3.51Å; I539-C562 HydrophobicContact CB-CB 4.16Å; I539-C562 HydrophobicContact CD1-CB 4.19Å; F558-C562 HydrophobicContact CD1-CB 4.44Å; C559-C562 PolarHBondContact O-N 3.27Å; R560-C562 PolarHBondContact O-N 3.45Å; C562-R566 VanDerWaalsContact O-CB 3.28Å; C562-R566 WeakPolarHBondContact O-CB 3.38Å; C562-R566 PolarHBondContact O-N 2.95Å
563	W	93.4	Very high	89.9	Confident	11 Å²	11	65.7 Å²	65.7	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-62.7	-55.1	171.6	-179.2	-81.4	0	0	0	110.9	I302 F547 C549 F558 C559 R560 W565 R566 H567 P577	I302-W563 HydrophobicContact CD1-CB 3.96Å; I302-W563 HydrophobicContact CD1-CG 3.73Å; I302-W563 HydrophobicContact CG1-CG 4.48Å; I302-W563 HydrophobicContact CG2-CD2 4.39Å; I302-W563 HydrophobicContact CG2-CG 4.48Å; F547-W563 HydrophobicContact CB-CD2 4.44Å; F547-W563 HydrophobicContact CB-CE3 3.76Å; F547-W563 HydrophobicContact CB-CZ3 4.26Å; C549-W563 HydrophobicContact CB-CH2 3.81Å; C549-W563 HydrophobicContact CB-CZ3 3.56Å; F558-W563 HydrophobicContact CB-CB 4.2Å; F558-W563 HydrophobicContact CB-CE3 4.26Å; F558-W563 AromaticContact CD2-CE3 3.96Å; F558-W563 HydrophobicContact CD2-CE3 3.96Å; F558-W563 HydrophobicContact CD2-CZ3 4.22Å; F558-W563 HydrophobicContact CG-CE3 4.4Å; C559-W563 PolarHBondContact O-N 3.04Å; R560-W563 PolarHBondContact O-N 2.9Å; W563-W565 VanDerWaalsContact C-N 3.31Å; W563-W565 PolarHBondContact O-N 3.44Å; W563-R566 PolarHBondContact O-N 2.78Å; W563-H567 AromaticContact CD1-ND1 3.94Å; W563-H567 AromaticContact CD2-CE1 3.73Å; W563-H567 AromaticContact CD2-ND1 3.29Å; W563-H567 VanDerWaalsContact CD2-ND1 3.29Å; W563-H567 AromaticContact CE2-CE1 3.93Å; W563-H567 AromaticContact CE2-CG 3.96Å; W563-H567 AromaticContact CE2-ND1 3.34Å; W563-H567 VanDerWaalsContact CE2-ND1 3.34Å; W563-H567 AromaticContact CE3-CE1 3.59Å; W563-H567 AromaticContact CE3-ND1 3.67Å; W563-H567 AromaticContact CG-ND1 3.65Å; W563-H567 AromaticContact CH2-CE1 3.81Å; W563-H567 AromaticContact CZ2-CE1 3.96Å; W563-H567 AromaticContact CZ2-ND1 3.71Å; W563-H567 AromaticContact CZ3-CE1 3.65Å; W563-H567 AromaticContact NE1-ND1 3.78Å; W563-H567 WeakPolarHBondContact O-CB 3.35Å; W563-H567 PolarHBondContact O-N 3.33Å; W563-H567 PolarHBondContact O-ND1 2.8Å; W563-H567 VanDerWaalsContact O-ND1 3.16Å; W563-P577 VanDerWaalsContact CH2-CA 3.41Å; W563-P577 HydrophobicContact CH2-CB 3.62Å; W563-P577 HydrophobicContact CH2-CG 4.49Å; W563-P577 HydrophobicContact CZ2-CB 3.65Å; W563-P577 HydrophobicContact CZ2-CG 4.14Å; W563-P577 HydrophobicContact CZ3-CB 4.07Å
564	H	91.6	Very high	89.5	Confident	78 Å²	78	67.7 Å²	67.7	36%	0.361	33%	0.326	S	S	.	.	H	α-helix	trans	-60.5	-40	179.2	-67.7	-64.7	0	0	0	111.8	R560 S568	R560-H564 PolarHBondContact NE-NE2 3.16Å; R560-H564 PolarHBondContact O-CD2 2.89Å; R560-H564 PolarHBondContact O-N 2.67Å; R560-H564 VanDerWaalsContact O-N 3.12Å; H564-S568 WeakPolarHBondContact O-CB 3.35Å; H564-S568 PolarHBondContact O-N 2.78Å; H564-S568 PolarHBondContact O-OG 2.88Å
565	W	91	Very high	89.4	Confident	172 Å²	172	68.1 Å²	68.1	65%	0.652	33%	0.327	S	S	*	.	H	α-helix	trans	-63.4	-46.5	176.3	-176.2	81.2	0	0	0	112.4	I539 S561 W563 S568	I539-W565 HydrophobicContact CD1-CE3 4.03Å; I539-W565 HydrophobicContact CD1-CZ3 4.11Å; S561-W565 WeakPolarHBondContact O-CB 3.42Å; S561-W565 PolarHBondContact O-N 2.63Å; W563-W565 VanDerWaalsContact C-N 3.31Å; W563-W565 PolarHBondContact O-N 3.44Å; W565-S568 PolarHBondContact O-OG 2.9Å
566	R	89.8	Confident	89.2	Confident	68 Å²	68	68.2 Å²	68.2	26%	0.257	33%	0.333	S	S	.	.	H	α-helix	trans	-72.1	-40.5	-177.9	-179.5	55.9	177.7	154.6	-0.7	113.4	I539 F558 C562 W563 L572	I539-R566 HydrophobicContact CD1-CB 4.06Å; F558-R566 HydrophobicContact CE1-CB 4.46Å; F558-R566 HydrophobicContact CE1-CG 4.26Å; F558-R566 HydrophobicContact CZ-CG 4.45Å; C562-R566 VanDerWaalsContact O-CB 3.28Å; C562-R566 WeakPolarHBondContact O-CB 3.38Å; C562-R566 PolarHBondContact O-N 2.95Å; W563-R566 PolarHBondContact O-N 2.78Å; R566-L572 VanDerWaalsContact CZ-CD1 3.41Å; R566-L572 WeakPolarHBondContact O-CD1 3.36Å
567	H	90.7	Very high	89	Confident	12 Å²	12	63.6 Å²	63.6	6%	0.056	31%	0.314	C	S	.	.	H	α-helix	trans	-97.7	0.4	-172.7	-56.8	107.7	0	0	0	114.2	C554 F558 W563 M569 R573 H575	C554-H567 PolarHBondContact SG-NE2 3.26Å; C554-H567 VanDerWaalsContact SG-NE2 3.35Å; F558-H567 AromaticContact CE2-CE1 3.98Å; W563-H567 AromaticContact CD1-ND1 3.94Å; W563-H567 AromaticContact CD2-CE1 3.73Å; W563-H567 AromaticContact CD2-ND1 3.29Å; W563-H567 VanDerWaalsContact CD2-ND1 3.29Å; W563-H567 AromaticContact CE2-CE1 3.93Å; W563-H567 AromaticContact CE2-CG 3.96Å; W563-H567 AromaticContact CE2-ND1 3.34Å; W563-H567 VanDerWaalsContact CE2-ND1 3.34Å; W563-H567 AromaticContact CE3-CE1 3.59Å; W563-H567 AromaticContact CE3-ND1 3.67Å; W563-H567 AromaticContact CG-ND1 3.65Å; W563-H567 AromaticContact CH2-CE1 3.81Å; W563-H567 AromaticContact CZ2-CE1 3.96Å; W563-H567 AromaticContact CZ2-ND1 3.71Å; W563-H567 AromaticContact CZ3-CE1 3.65Å; W563-H567 AromaticContact NE1-ND1 3.78Å; W563-H567 WeakPolarHBondContact O-CB 3.35Å; W563-H567 PolarHBondContact O-N 3.33Å; W563-H567 PolarHBondContact O-ND1 2.8Å; W563-H567 VanDerWaalsContact O-ND1 3.16Å; H567-M569 VanDerWaalsContact C-N 3.3Å; H567-R573 WeakPolarHBondContact O-CA 3.28Å; H567-R573 VanDerWaalsContact O-CG 3.26Å; H567-R573 WeakPolarHBondContact O-CG 3.42Å; H567-R573 PolarHBondContact O-N 2.97Å; H567-H575 AromaticContact CD2-CG 3.73Å; H567-H575 AromaticContact CD2-ND1 3.36Å; H567-H575 PolarHBondContact CD2-ND1 2.85Å; H567-H575 AromaticContact NE2-ND1 3.39Å; H567-H575 PolarHBondContact NE2-ND1 3.46Å
568	S	87	Confident	88.9	Confident	62 Å²	62	62.2 Å²	62.2	43%	0.434	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-14.6	166.6	56.1	0	0	0	0	113.5	H564 W565 R573	H564-S568 WeakPolarHBondContact O-CB 3.35Å; H564-S568 PolarHBondContact O-N 2.78Å; H564-S568 PolarHBondContact O-OG 2.88Å; W565-S568 PolarHBondContact O-OG 2.9Å; S568-R573 PolarHBondContact O-NE 3.01Å; S568-R573 PolarHBondContact O-NH2 3.12Å
569	M	84.8	Confident	88.6	Confident	95 Å²	95	63.5 Å²	63.5	47%	0.468	32%	0.315	S	S	.	.	S	Bend	trans	-63.1	141.7	172.7	-60.5	-174.9	72.6	0	0	110.9	H567 L572	H567-M569 VanDerWaalsContact C-N 3.3Å; M569-L572 HydrophobicContact CB-CD1 4.16Å; M569-L572 PolarHBondContact O-N 2.81Å; M569-L572 VanDerWaalsContact O-N 3.13Å; M569-L572 HydrophobicContact SD-CD1 4.28Å
570	E	74.7	Confident	88.2	Confident	139 Å²	139	68.2 Å²	68.2	65%	0.65	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	143.3	-179.7	-161.8	46.8	-98	0	0	111.9	L572 R573	E570-L572 PolarHBondContact O-N 3.26Å; E570-R573 IonicContact OE2-CZ 3.84Å; E570-R573 IonicContact OE2-NE 3.71Å; E570-R573 IonicContact OE2-NH1 2.88Å
571	G	80.1	Confident	87.1	Confident	46 Å²	46	68.1 Å²	68.1	47%	0.474	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	-31.1	-169.7	0	0	0	0	0	115.1
572	L	85.9	Confident	85.4	Confident	22 Å²	22	70.1 Å²	70.1	12%	0.115	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-89.4	-4.3	179.9	-58.6	-178.3	0	0	0	114	V553 R566 M569 E570 H574 H575	V553-L572 HydrophobicContact CG1-CD2 4.33Å; R566-L572 VanDerWaalsContact CZ-CD1 3.41Å; R566-L572 WeakPolarHBondContact O-CD1 3.36Å; M569-L572 HydrophobicContact CB-CD1 4.16Å; M569-L572 PolarHBondContact O-N 2.81Å; M569-L572 VanDerWaalsContact O-N 3.13Å; M569-L572 HydrophobicContact SD-CD1 4.28Å; E570-L572 PolarHBondContact O-N 3.26Å; L572-H574 VanDerWaalsContact C-N 3.25Å; L572-H574 PolarHBondContact O-N 3.27Å; L572-H575 VanDerWaalsContact CD2-CE1 3.49Å; L572-H575 WeakPolarHBondContact CD2-CE1 3.2Å; L572-H575 WeakPolarHBondContact O-CB 3.45Å; L572-H575 PolarHBondContact O-N 3.21Å
573	R	82.6	Confident	83.1	Confident	153 Å²	153	74.2 Å²	74.2	58%	0.577	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-66.4	-21.3	-178.7	-70.4	173.4	176	-154.3	-4.8	114.8	H567 S568 E570 H575	H567-R573 WeakPolarHBondContact O-CA 3.28Å; H567-R573 VanDerWaalsContact O-CG 3.26Å; H567-R573 WeakPolarHBondContact O-CG 3.42Å; H567-R573 PolarHBondContact O-N 2.97Å; S568-R573 PolarHBondContact O-NE 3.01Å; S568-R573 PolarHBondContact O-NH2 3.12Å; E570-R573 IonicContact OE2-CZ 3.84Å; E570-R573 IonicContact OE2-NE 3.71Å; E570-R573 IonicContact OE2-NH1 2.88Å; R573-H575 VanDerWaalsContact C-N 3.32Å
574	H	84	Confident	80.3	Confident	149 Å²	149	80 Å²	80	69%	0.69	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-86.6	-4.3	-178.8	-48.8	101	0	0	0	113.1	L572	L572-H574 VanDerWaalsContact C-N 3.25Å; L572-H574 PolarHBondContact O-N 3.27Å
575	H	89.9	Confident	77.5	Confident	22 Å²	22	86.8 Å²	86.8	10%	0.102	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-67.2	132	-176.8	-78.6	-157.4	0	0	0	112.1	C549 D551 H567 L572 R573	C549-H575 PolarHBondContact SG-ND1 3.3Å; D551-H575 IonicContact OD1-CD2 2.78Å; D551-H575 WeakPolarHBondContact OD2-CA 3.41Å; D551-H575 WeakPolarHBondContact OD2-CB 3.39Å; D551-H575 IonicContact OD2-CD2 2.8Å; D551-H575 IonicContact OD2-CG 3.23Å; H567-H575 AromaticContact CD2-CG 3.73Å; H567-H575 AromaticContact CD2-ND1 3.36Å; H567-H575 PolarHBondContact CD2-ND1 2.85Å; H567-H575 AromaticContact NE2-ND1 3.39Å; H567-H575 PolarHBondContact NE2-ND1 3.46Å; L572-H575 VanDerWaalsContact CD2-CE1 3.49Å; L572-H575 WeakPolarHBondContact CD2-CE1 3.2Å; L572-H575 WeakPolarHBondContact O-CB 3.45Å; L572-H575 PolarHBondContact O-N 3.21Å; R573-H575 VanDerWaalsContact C-N 3.32Å
576	S	87.9	Confident	74.4	Confident	48 Å²	48	85.1 Å²	85.1	34%	0.336	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-92.7	127.7	-174.1	-67.8	0	0	0	0	112.5	R550 D551	R550-S576 PolarHBondContact N-O 3.27Å; D551-S576 PolarHBondContact OD2-N 3.25Å
577	P	91.6	Very high	71.5	Confident	2 Å²	2	86.8 Å²	86.8	1%	0.013	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	129.6	175.4	31.1	-33.7	0	0	0	112	I302 E305 A306 W563	I302-P577 HydrophobicContact CG2-CB 3.38Å; I302-P577 HydrophobicContact CG2-CG 3.58Å; E305-P577 HydrophobicContact CB-CG 3.58Å; E305-P577 WeakPolarHBondContact OE2-CG 3.39Å; A306-P577 WeakPolarHBondContact CA-O 3.12Å; A306-P577 HydrophobicContact CB-CB 4.41Å; A306-P577 HydrophobicContact CB-CG 4.35Å; A306-P577 WeakPolarHBondContact CB-O 3.27Å; W563-P577 VanDerWaalsContact CH2-CA 3.41Å; W563-P577 HydrophobicContact CH2-CB 3.62Å; W563-P577 HydrophobicContact CH2-CG 4.49Å; W563-P577 HydrophobicContact CZ2-CB 3.65Å; W563-P577 HydrophobicContact CZ2-CG 4.14Å; W563-P577 HydrophobicContact CZ3-CB 4.07Å
578	L	92.4	Very high	68.5	Low	8 Å²	8	95.2 Å²	95.2	4%	0.042	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	141.2	167.3	-51.6	-175.5	0	0	0	109.7	H309 D529 P530 L532 F548 R550	H309-L578 WeakPolarHBondContact CD2-CD2 3.31Å; D529-L578 HydrophobicContact CB-CD1 4.43Å; P530-L578 HydrophobicContact CG-CD1 4.28Å; L532-L578 HydrophobicContact CD1-CB 3.94Å; F548-L578 HydrophobicContact CB-CB 4.38Å; F548-L578 HydrophobicContact CD1-CD1 4.19Å; F548-L578 PolarHBondContact N-O 3.23Å; F548-L578 PolarHBondContact O-N 3.06Å; R550-L578 HydrophobicContact CB-CD1 4.11Å; R550-L578 HydrophobicContact CB-CG 4.22Å; R550-L578 HydrophobicContact CG-CD1 4.24Å
579	M	89.3	Confident	67.6	Low	32 Å²	32	96.9 Å²	96.9	16%	0.158	50%	0.496	C	S	.	.			trans	-137.7	132.4	174.8	-65.4	179.4	81.5	0	0	110.5	E303 A306 R310 P546 F547	E303-M579 HydrophobicContact CB-SD 4.37Å; E303-M579 HydrophobicContact CG-CE 4.28Å; E303-M579 HydrophobicContact CG-SD 4.13Å; A306-M579 HydrophobicContact CB-CB 3.93Å; A306-M579 HydrophobicContact CB-CG 3.51Å; A306-M579 HydrophobicContact CB-SD 3.65Å; R310-M579 PolarHBondContact NH2-O 3.18Å; P546-M579 HydrophobicContact CB-CE 4.42Å; F547-M579 HydrophobicContact CD1-CE 3.95Å; F547-M579 HydrophobicContact CD1-CG 3.62Å; F547-M579 HydrophobicContact CD1-SD 3.6Å; F547-M579 VanDerWaalsContact CD1-SD 3.6Å; F547-M579 HydrophobicContact CE1-CE 3.52Å; F547-M579 HydrophobicContact CE1-CG 4.09Å; F547-M579 HydrophobicContact CE1-SD 3.41Å; F547-M579 WeakPolarHBondContact CE1-SD 3.4Å; F547-M579 HydrophobicContact CZ-CE 4.18Å
580	R	84.8	Confident	66.7	Low	114 Å²	114	97 Å²	97	43%	0.43	50%	0.498	S	S	.	.			trans	-56.5	148.7	168.7	-166.3	170.9	90.3	-162.9	-2.1	109.8	R310 L532 D534 Q582	R310-R580 PolarHBondContact NH2-O 2.85Å; L532-R580 HydrophobicContact CB-CB 4.41Å; D534-R580 IonicContact OD1-CZ 3.16Å; D534-R580 VanDerWaalsContact OD1-CZ 3.32Å; D534-R580 IonicContact OD1-NH1 3.5Å; D534-R580 PolarHBondContact OD1-NH1 3.24Å; D534-R580 IonicContact OD1-NH2 2.81Å; D534-R580 PolarHBondContact OD1-NH2 2.84Å; D534-R580 VanDerWaalsContact OD1-NH2 3.1Å; D534-R580 IonicContact OD2-CZ 3.6Å; D534-R580 IonicContact OD2-NH1 2.76Å; D534-R580 PolarHBondContact OD2-NH1 2.88Å; D534-R580 IonicContact OD2-NH2 3.22Å; D534-R580 PolarHBondContact OD2-NH2 3.22Å; R580-Q582 PolarHBondContact O-N 3.36Å
581	N	70.4	Confident	66.3	Low	90 Å²	90	94.7 Å²	94.7	48%	0.481	49%	0.489	S	S	.	.			trans	-71.6	97.3	176.3	-152.7	25.5	0	0	0	109.7	S213 R310 K583	S213-N581 PolarHBondContact OG-ND2 3.07Å; R310-N581 PolarHBondContact NH1-OD1 3.11Å; N581-K583 PolarHBondContact O-N 3.25Å
582	Q	57.8	Low	65.5	Low	135 Å²	135	97.5 Å²	97.5	63%	0.631	49%	0.49	S	S	*	.			trans	-75.8	109.2	171.6	-65.7	-177.8	1.6	0	0	107.9	R580	R580-Q582 PolarHBondContact O-N 3.36Å
583	K	44.9	Very low	64.2	Low	100 Å²	100	102.3 Å²	102.3	44%	0.435	51%	0.513	S	S	.	.			trans	-72.1	139.8	167.7	-168.3	174.7	-178.1	168.3	0	108.4	P210 S211 N581 R585	P210-K583 HydrophobicContact CB-CD 3.89Å; P210-K583 HydrophobicContact CG-CD 3.98Å; S211-K583 PolarHBondContact O-NZ 2.76Å; N581-K583 PolarHBondContact O-N 3.25Å; K583-R585 PolarHBondContact O-N 3.07Å
584	N	34.7	Very low	62.9	Low	132 Å²	132	98.9 Å²	98.9	71%	0.706	51%	0.509	S	S	*	.			trans	-51.5	130	167.6	-77.1	15.8	0	0	0	108.6	D586	N584-D586 PolarHBondContact O-N 3.17Å
585	R	33	Very low	61.4	Low	221 Å²	221	95.3 Å²	95.3	83%	0.834	50%	0.496	S	S	*	.	S	Bend	trans	-82.8	-6.8	-173.8	-86.2	174.8	54	-150.2	-8.7	112.8	K583 S587	K583-R585 PolarHBondContact O-N 3.07Å; R585-S587 PolarHBondContact O-N 3.39Å
586	D	26.5	Very low	59.2	Low	137 Å²	137	100.9 Å²	100.9	73%	0.733	53%	0.527	S	S	*	.			trans	-92	40.7	-161.4	-40.6	-77.6	0	0	0	110.8	N584	N584-D586 PolarHBondContact O-N 3.17Å
587	S	28.9	Very low	56.9	Low	104 Å²	104	105.3 Å²	105.3	73%	0.727	54%	0.543	S	S	*	.			trans	-157.5	75.8	-178.5	-67.9	0	0	0	0	109	R585	R585-S587 PolarHBondContact O-N 3.39Å
588	S	28	Very low	53.7	Low	189 Å²	189	114.7 Å²	114.7	100%	1.322	59%	0.591	S	S	*	*			trans	-146.7	0	173.5	-67.5	0	0	0	0	109.1

Retrieved 588 of 588 residues in 589.7 ms (Link to these results)

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