A0A5K4FEP7_SCHMA Loading...

Non-specific protein-tyrosine kinase

AlphaFold DB , UniProt , Accession A0A5K4FEP7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 751 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.8	Very low	26.8	Very low	150 Å²	150	119.4 Å²	119.4	74%	0.739	70%	0.697	S	S	*	*				0	77.6	0	-71.5	-173	179	0	0	109.7	D55 I56	M1-D55 PolarHBondContact N-O 3.29Å; M1-I56 PolarHBondContact N-O 3.35Å
2	G	29.6	Very low	26.9	Very low	57 Å²	57	116.4 Å²	116.4	59%	0.588	68%	0.676	S	S	*	*			cis	-174.7	140.8	-3.4	0	0	0	0	0	108.3	C4	G2-C4 PolarHBondContact O-N 2.69Å
3	N	24.8	Very low	27	Very low	166 Å²	166	116.2 Å²	116.2	89%	0.888	67%	0.671	S	S	*	*			trans	-75.6	81.9	-168.6	-69.4	-19.8	0	0	0	112.4	I5	N3-I5 PolarHBondContact O-N 3.39Å
4	C	27.8	Very low	26.8	Very low	127 Å²	127	117.9 Å²	117.9	86%	0.858	67%	0.672	S	S	*	*			trans	-87.6	80.7	168.3	-70.7	0	0	0	0	110.2	G2	G2-C4 PolarHBondContact O-N 2.69Å
5	I	26.2	Very low	26.9	Very low	109 Å²	109	117.5 Å²	117.5	56%	0.559	67%	0.672	S	S	*	*			trans	-66.2	129.1	174.1	-51.6	167.5	0	0	0	108.6	N3 F7	N3-I5 PolarHBondContact O-N 3.39Å; I5-F7 HydrophobicContact CB-CD2 3.85Å; I5-F7 HydrophobicContact CB-CE2 4.19Å; I5-F7 HydrophobicContact CD1-CD2 4.13Å; I5-F7 HydrophobicContact CD1-CE2 3.68Å; I5-F7 HydrophobicContact CG2-CD2 3.53Å; I5-F7 HydrophobicContact CG2-CE2 3.72Å; I5-F7 HydrophobicContact CG2-CG 3.97Å; I5-F7 HydrophobicContact CG2-CZ 4.29Å; I5-F7 PolarHBondContact O-N 3.15Å
6	P	28.7	Very low	27	Very low	120 Å²	120	119.6 Å²	119.6	78%	0.779	67%	0.674	S	S	*	*			trans	-75.7	64.8	170.9	32.1	-34.3	0	0	0	110.9	G8	P6-G8 PolarHBondContact O-N 3.21Å
7	F	25.3	Very low	27	Very low	185 Å²	185	117.5 Å²	117.5	81%	0.811	68%	0.675	S	S	*	*			trans	-70.6	98.1	168.3	-88.7	-57.7	0	0	0	109.3	I5	I5-F7 HydrophobicContact CB-CD2 3.85Å; I5-F7 HydrophobicContact CB-CE2 4.19Å; I5-F7 HydrophobicContact CD1-CD2 4.13Å; I5-F7 HydrophobicContact CD1-CE2 3.68Å; I5-F7 HydrophobicContact CG2-CD2 3.53Å; I5-F7 HydrophobicContact CG2-CE2 3.72Å; I5-F7 HydrophobicContact CG2-CG 3.97Å; I5-F7 HydrophobicContact CG2-CZ 4.29Å; I5-F7 PolarHBondContact O-N 3.15Å
8	G	26.4	Very low	27.1	Very low	70 Å²	70	118.1 Å²	118.1	72%	0.722	68%	0.684	S	S	*	*			trans	-175.2	30.4	-178.1	0	0	0	0	0	113	P6 D10	P6-G8 PolarHBondContact O-N 3.21Å; G8-D10 PolarHBondContact O-N 3.34Å
9	I	23.8	Very low	27.4	Very low	123 Å²	123	122.4 Å²	122.4	63%	0.631	70%	0.697	S	S	*	*			trans	-78.2	103.8	-178.7	-43.8	178.2	0	0	0	108.9	L11	I9-L11 VanDerWaalsContact C-N 3.27Å; I9-L11 HydrophobicContact CB-CD1 3.68Å; I9-L11 HydrophobicContact CG2-CD1 3.47Å; I9-L11 VanDerWaalsContact CG2-CD1 3.47Å; I9-L11 HydrophobicContact CG2-CD2 3.73Å; I9-L11 HydrophobicContact CG2-CG 4.15Å; I9-L11 WeakPolarHBondContact O-CD1 3.33Å; I9-L11 PolarHBondContact O-N 2.95Å
10	D	27.3	Very low	27.7	Very low	105 Å²	105	120.8 Å²	120.8	56%	0.561	70%	0.7	S	S	*	*			trans	-74.1	79.6	167.3	-178.3	13.4	0	0	0	108.5	G8 N12 K539	G8-D10 PolarHBondContact O-N 3.34Å; D10-N12 VanDerWaalsContact C-N 3.28Å; D10-N12 PolarHBondContact O-N 2.92Å; D10-K539 IonicContact OD2-NZ 3.26Å; D10-K539 PolarHBondContact OD2-NZ 3.48Å
11	L	24.2	Very low	27.8	Very low	101 Å²	101	119.3 Å²	119.3	53%	0.529	69%	0.689	S	S	.	*			trans	-63.8	82.9	-178.2	-87.1	83.5	0	0	0	111.8	I9 D13	I9-L11 VanDerWaalsContact C-N 3.27Å; I9-L11 HydrophobicContact CB-CD1 3.68Å; I9-L11 HydrophobicContact CG2-CD1 3.47Å; I9-L11 VanDerWaalsContact CG2-CD1 3.47Å; I9-L11 HydrophobicContact CG2-CD2 3.73Å; I9-L11 HydrophobicContact CG2-CG 4.15Å; I9-L11 WeakPolarHBondContact O-CD1 3.33Å; I9-L11 PolarHBondContact O-N 2.95Å; L11-D13 HydrophobicContact CD2-CB 4.4Å; L11-D13 WeakPolarHBondContact CD2-OD2 3.32Å
12	N	28.5	Very low	27.8	Very low	84 Å²	84	120.5 Å²	120.5	45%	0.449	69%	0.685	S	S	.	*			trans	-121.9	54.5	152.7	-88.3	-88	0	0	0	109.1	D10	D10-N12 VanDerWaalsContact C-N 3.28Å; D10-N12 PolarHBondContact O-N 2.92Å
13	D	27	Very low	27.9	Very low	114 Å²	114	124.6 Å²	124.6	61%	0.61	69%	0.692	S	S	*	*			trans	-73.5	143	-177.4	-94.3	-37.2	0	0	0	113.6	L11	L11-D13 HydrophobicContact CD2-CB 4.4Å; L11-D13 WeakPolarHBondContact CD2-OD2 3.32Å
14	M	24.3	Very low	28.1	Very low	139 Å²	139	121.9 Å²	121.9	69%	0.685	68%	0.682	S	S	*	*			trans	54.3	99.1	152.4	-58.1	179.7	78.7	0	0	119
15	V	28.5	Very low	28	Very low	112 Å²	112	123.2 Å²	123.2	68%	0.679	68%	0.681	S	S	*	*			trans	-125.7	111.5	138.1	-179.5	0	0	0	0	108
16	H	28.8	Very low	28.3	Very low	152 Å²	152	123.2 Å²	123.2	70%	0.704	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-74.9	162.9	-177.2	-94.6	-91.8	0	0	0	113.9
17	A	27.8	Very low	28.3	Very low	83 Å²	83	123.1 Å²	123.1	69%	0.686	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-61.7	158.2	166.7	0	0	0	0	0	112.3
18	P	27.7	Very low	28.5	Very low	128 Å²	128	118.1 Å²	118.1	83%	0.831	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-73.1	129.8	-179.9	29.9	-35	0	0	0	112.4
19	Q	33.8	Very low	28.5	Very low	200 Å²	200	122.1 Å²	122.1	94%	0.935	70%	0.696	S	S	*	*			trans	-133	154.8	155.8	-72.1	-164.7	-18.3	0	0	109.1
20	A	32.9	Very low	28.7	Very low	91 Å²	91	124.5 Å²	124.5	75%	0.752	71%	0.709	S	S	*	*			trans	-101.5	172.3	-165.8	0	0	0	0	0	113.5
21	D	29.4	Very low	28.7	Very low	90 Å²	90	126.3 Å²	126.3	48%	0.481	72%	0.715	S	S	.	*			trans	8.2	132	144.5	-81.4	35.5	0	0	0	116.2
22	R	30.1	Very low	28.8	Very low	174 Å²	174	127.7 Å²	127.7	66%	0.657	73%	0.731	S	S	*	*			cis	179.2	179	44.6	-130.9	166.7	-145.6	-156.5	0.8	113.3
23	I	32.2	Very low	28.8	Very low	143 Å²	143	128.9 Å²	128.9	73%	0.733	74%	0.738	S	S	*	*			trans	81.2	89.3	154.8	-65	153.3	0	0	0	118.3
24	T	28.8	Very low	29	Very low	110 Å²	110	129.8 Å²	129.8	68%	0.675	75%	0.747	S	S	*	*				25.1	138.6	129.6	61.3	0	0	0	0	123.2
25	N	26.9	Very low	29.3	Very low	154 Å²	154	128.9 Å²	128.9	82%	0.824	75%	0.753	S	S	*	*			trans	61.2	131.7	145.7	-56.4	-6.9	0	0	0	117.1
26	S	32	Very low	29.1	Very low	110 Å²	110	131.8 Å²	131.8	77%	0.769	76%	0.759	S	S	*	*			cis	-167.2	172.1	38.1	47.3	0	0	0	0	113.2
27	S	28.4	Very low	29.2	Very low	118 Å²	118	130.1 Å²	130.1	83%	0.825	76%	0.76	S	S	*	*			trans	-19.8	131.8	167.3	53.5	0	0	0	0	119.5
28	G	30.4	Very low	29.2	Very low	79 Å²	79	134.2 Å²	134.2	81%	0.814	77%	0.767	S	S	*	*			trans	-161.4	99.1	163.1	0	0	0	0	0	111.9
29	I	25.1	Very low	29.1	Very low	154 Å²	154	134.7 Å²	134.7	79%	0.79	76%	0.762	S	S	*	*			trans	-91.6	138.3	178.9	-64.2	169.7	0	0	0	109.8
30	L	29	Very low	28.9	Very low	174 Å²	174	136.1 Å²	136.1	91%	0.911	76%	0.761	S	S	*	*			trans	-152.6	120.6	150.9	-113	164.7	0	0	0	110.3
31	Q	26.4	Very low	28.7	Very low	143 Å²	143	134.9 Å²	134.9	67%	0.668	76%	0.757	S	S	*	*			trans	-90.5	157.1	175.6	-66.7	172.6	-94.3	0	0	111.2	N33	Q31-N33 PolarHBondContact NE2-OD1 2.94Å
32	C	27.3	Very low	28.7	Very low	130 Å²	130	136.2 Å²	136.2	88%	0.878	77%	0.774	S	S	*	*			trans	-140.1	150.8	134.9	-158.9	0	0	0	0	108.9
33	N	27.6	Very low	28.5	Very low	109 Å²	109	133.4 Å²	133.4	58%	0.583	78%	0.78	S	S	*	*			trans	-115.7	-166.7	-164.3	-60.7	-35.2	0	0	0	111.9	Q31	Q31-N33 PolarHBondContact NE2-OD1 2.94Å
34	T	31.4	Very low	28.5	Very low	133 Å²	133	131.2 Å²	131.2	82%	0.816	78%	0.776	S	S	*	*			trans	80.6	131.9	168.1	68	0	0	0	0	115.8
35	C	30.1	Very low	28.4	Very low	119 Å²	119	133.4 Å²	133.4	80%	0.804	78%	0.783	S	S	*	*			cis	-147.4	166.3	-4.1	-109.3	0	0	0	0	112.6
36	E	26.1	Very low	28.6	Very low	174 Å²	174	131 Å²	131	81%	0.813	78%	0.784	S	S	*	*			trans	-88.2	158.8	-177	-55.1	152.4	128.6	0	0	112.2
37	T	30.7	Very low	28.2	Very low	116 Å²	116	136.4 Å²	136.4	71%	0.712	79%	0.794	S	S	*	*				170.3	127.2	103	41.8	0	0	0	0	114.8
38	M	27.6	Very low	28.2	Very low	170 Å²	170	134.4 Å²	134.4	84%	0.837	79%	0.792	S	S	*	*			trans	61.4	143.4	138.1	-69.3	-175	-84.7	0	0	124.7
39	D	25.1	Very low	27.8	Very low	137 Å²	137	138.5 Å²	138.5	73%	0.733	80%	0.795	S	S	*	*			trans	-61.7	164.1	177	-57.8	-92.9	0	0	0	116.8
40	Y	29.6	Very low	27.9	Very low	230 Å²	230	137.9 Å²	137.9	90%	0.902	79%	0.793	S	S	*	*				174.3	139.3	101.4	-96.6	-71	0	0	0	113.7
41	G	27.9	Very low	27.7	Very low	65 Å²	65	138.2 Å²	138.2	67%	0.67	79%	0.79	S	S	*	*			trans	84.3	98.8	138.2	0	0	0	0	0	121.4
42	S	29.8	Very low	27.8	Very low	119 Å²	119	141 Å²	141	83%	0.832	81%	0.806	S	S	*	*				46.2	100.8	127.7	-52.1	0	0	0	0	122.1
43	S	26	Very low	27.6	Very low	114 Å²	114	142 Å²	142	80%	0.797	80%	0.802	S	S	*	*				43	143.4	108.8	-160.7	0	0	0	0	121.4
44	P	33.3	Very low	27.6	Very low	98 Å²	98	141.7 Å²	141.7	64%	0.636	81%	0.809	S	S	*	*			cis	-142	-165.1	-35.6	41.8	-24.3	0	0	0	113.6
45	N	26.4	Very low	27.3	Very low	156 Å²	156	139.3 Å²	139.3	83%	0.834	79%	0.791	S	S	*	*			trans	69.8	102.2	157.2	-63	-10.7	0	0	0	120.7
46	A	29.9	Very low	27.2	Very low	102 Å²	102	139 Å²	139	84%	0.843	78%	0.78	S	S	*	*				-162.8	152.4	129	0	0	0	0	0	111.4
47	F	24.4	Very low	27.2	Very low	224 Å²	224	138.2 Å²	138.2	98%	0.982	77%	0.774	S	S	*	*			trans	-80	145.9	174	-79	-110.4	0	0	0	111.7
48	G	27.4	Very low	27	Very low	76 Å²	76	140.1 Å²	140.1	78%	0.784	78%	0.779	S	S	*	*			trans	-167.7	128.1	168.9	0	0	0	0	0	111.6
49	L	23.1	Very low	27.2	Very low	165 Å²	165	136.9 Å²	136.9	86%	0.864	77%	0.77	S	S	*	*			trans	-96.8	-178.4	179.8	-76.3	167.5	0	0	0	111.9
50	N	27.7	Very low	27.3	Very low	141 Å²	141	137.2 Å²	137.2	75%	0.754	77%	0.771	S	S	*	*			trans	95.2	109.8	172.6	-48	-12.9	0	0	0	112.3
51	E	23.6	Very low	27.1	Very low	181 Å²	181	133.1 Å²	133.1	85%	0.846	77%	0.765	S	S	*	*				61.7	107.8	74.9	-69.1	-168	159.8	0	0	113.3
52	M	28	Very low	27	Very low	203 Å²	203	135 Å²	135	100%	1	76%	0.763	S	S	*	*				-164.9	170.5	128.7	-106.4	175	-153.6	0	0	111.7
53	D	24.6	Very low	27	Very low	150 Å²	150	139.9 Å²	139.9	80%	0.802	76%	0.764	S	S	*	*			trans	-118	176.4	-150.5	-152.6	-20.8	0	0	0	113.2
54	S	26.7	Very low	27	Very low	103 Å²	103	140 Å²	140	72%	0.72	75%	0.754	S	S	*	*			trans	73.6	162.1	161.3	84.9	0	0	0	0	117.7
55	D	26	Very low	26.8	Very low	82 Å²	82	144.1 Å²	144.1	44%	0.439	76%	0.762	S	S	.	*			cis	-151.9	-170.5	3.3	-157.5	-3.7	0	0	0	112.5	M1	M1-D55 PolarHBondContact N-O 3.29Å
56	I	27.7	Very low	26.7	Very low	114 Å²	114	141.8 Å²	141.8	59%	0.585	76%	0.758	S	S	*	*			trans	68.1	151.5	150.2	-69	157.2	0	0	0	118.5	M1	M1-I56 PolarHBondContact N-O 3.35Å
57	K	26.1	Very low	26.5	Very low	156 Å²	156	147.5 Å²	147.5	68%	0.678	76%	0.758	S	S	*	*				-148.9	153.8	-60.9	-105.5	157.6	-168.1	167.9	0	109.2
58	L	25.8	Very low	26.6	Very low	156 Å²	156	144.6 Å²	144.6	82%	0.817	75%	0.747	S	S	*	*			trans	-83.6	177.6	168.2	-143.1	77.9	0	0	0	110.5
59	P	31.9	Very low	26.6	Very low	102 Å²	102	145.2 Å²	145.2	66%	0.662	75%	0.745	S	S	*	*				-160.7	-172.6	75.4	35.5	-9.3	0	0	0	119.2
60	L	27.3	Very low	26.9	Very low	144 Å²	144	145.5 Å²	145.5	75%	0.754	74%	0.742	S	S	*	*			trans	87	146.7	158.2	-44.1	-179.4	0	0	0	119.5
61	L	24.4	Very low	26.9	Very low	145 Å²	145	144.2 Å²	144.2	76%	0.759	74%	0.735	S	S	*	*			cis	-177	153.7	-26.2	-102	-166.4	0	0	0	107.3
62	T	27.2	Very low	27.1	Very low	105 Å²	105	141.2 Å²	141.2	64%	0.644	72%	0.724	S	S	*	*			cis	-132.2	-118.8	-10.4	-33.7	0	0	0	0	108.7	I64	T62-I64 HydrophobicContact CG2-CG1 4.24Å
63	R	28.8	Very low	27.1	Very low	221 Å²	221	138.8 Å²	138.8	83%	0.834	72%	0.715	S	S	*	*			cis	-152.8	103.2	-11.8	-150.6	165.8	-167.5	169.3	4.6	113.3
64	I	26.5	Very low	27.2	Very low	116 Å²	116	136.2 Å²	136.2	60%	0.595	71%	0.709	S	S	*	*			trans	8.9	152.5	135.7	26.5	171.4	0	0	0	120.8	T62	T62-I64 HydrophobicContact CG2-CG1 4.24Å
65	F	28.3	Very low	27.2	Very low	185 Å²	185	135.7 Å²	135.7	81%	0.811	71%	0.706	S	S	*	*			cis	-147.5	-175.3	30.3	-104.8	-58.2	0	0	0	115.3
66	S	25.6	Very low	27.2	Very low	106 Å²	106	136.4 Å²	136.4	74%	0.741	72%	0.717	S	S	*	*			trans	-140.3	154	-174	-28.5	0	0	0	0	113.8
67	R	26.1	Very low	27.2	Very low	223 Å²	223	139.2 Å²	139.2	84%	0.842	73%	0.725	S	S	*	*				162.2	132.5	126.2	-93.7	-177.1	173.2	177.3	-2.1	117.1
68	Q	26	Very low	27.3	Very low	163 Å²	163	137.4 Å²	137.4	76%	0.762	72%	0.723	S	S	*	*			trans	43.8	126.3	132.6	-67.2	175.5	-80.4	0	0	124.2
69	A	26.6	Very low	27.3	Very low	89 Å²	89	137.9 Å²	137.9	74%	0.736	72%	0.719	S	S	*	*				112	128.9	120.2	0	0	0	0	0	122
70	H	29.5	Very low	27.2	Very low	171 Å²	171	140.3 Å²	140.3	79%	0.792	72%	0.721	S	S	*	*			trans	67.3	114.4	149	-80	-64.9	0	0	0	124
71	N	27.8	Very low	27.2	Very low	114 Å²	114	137.7 Å²	137.7	61%	0.61	71%	0.714	S	S	*	*				80	130.5	127.3	-82.8	48.7	0	0	0	124.1
72	D	28.3	Very low	27.5	Very low	118 Å²	118	137.2 Å²	137.2	63%	0.631	71%	0.713	S	S	*	*			trans	70.2	115.6	135.6	-55.3	-15.7	0	0	0	122
73	N	27.3	Very low	27.6	Very low	151 Å²	151	136.5 Å²	136.5	81%	0.807	71%	0.712	S	S	*	*			trans	66.7	143.8	141.3	-60.5	-29.7	0	0	0	118.5
74	S	26.9	Very low	27.6	Very low	97 Å²	97	134.4 Å²	134.4	68%	0.678	72%	0.717	S	S	*	*			cis	-164.7	-178.5	-8.7	51.2	0	0	0	0	109.9
75	S	28	Very low	27.8	Very low	92 Å²	92	131.9 Å²	131.9	64%	0.643	72%	0.719	S	S	*	*			trans	57.4	93.2	147.1	55.5	0	0	0	0	120.3
76	S	25.9	Very low	27.9	Very low	96 Å²	96	128 Å²	128	67%	0.671	72%	0.715	S	S	*	*				54.2	154.2	112.3	62	0	0	0	0	123.6
77	F	27.9	Very low	28.1	Very low	173 Å²	173	130.3 Å²	130.3	76%	0.759	72%	0.719	S	S	*	*			trans	92.2	89.9	164.8	-66.2	-77.7	0	0	0	119.5
78	D	27.1	Very low	28.3	Very low	118 Å²	118	128 Å²	128	63%	0.631	72%	0.718	S	S	*	*				68.3	130.7	97.5	-68.4	13.6	0	0	0	125.4
79	F	26.2	Very low	28.5	Very low	167 Å²	167	128.2 Å²	128.2	73%	0.732	72%	0.723	S	S	*	*				87.8	134.7	129.1	-87.6	-56	0	0	0	125.4
80	H	29	Very low	28.5	Very low	153 Å²	153	131.8 Å²	131.8	71%	0.708	72%	0.722	S	S	*	*			trans	83.4	109	142.9	-77.7	-58.4	0	0	0	123.6
81	S	27.9	Very low	28.4	Very low	88 Å²	88	129.5 Å²	129.5	62%	0.615	72%	0.723	S	S	*	*				71.8	162.5	121.6	90.6	0	0	0	0	120.1
82	D	31.4	Very low	28.2	Very low	135 Å²	135	130.5 Å²	130.5	72%	0.722	72%	0.723	S	S	*	*			cis	-150.8	141.8	14.7	-118.9	-45.1	0	0	0	116.3
83	S	28.5	Very low	28.1	Very low	91 Å²	91	132.8 Å²	132.8	64%	0.636	74%	0.736	S	S	*	*			trans	64.5	143.8	134.8	86.2	0	0	0	0	126.6
84	L	28.6	Very low	27.9	Very low	177 Å²	177	129.2 Å²	129.2	93%	0.927	72%	0.719	S	S	*	*			trans	87.1	137.9	140.4	-74.8	161.5	0	0	0	124.1
85	G	31.2	Very low	27.8	Very low	62 Å²	62	128.6 Å²	128.6	64%	0.639	73%	0.729	S	S	*	*			trans	107.4	74.2	164.5	0	0	0	0	0	116.6
86	S	29.1	Very low	27.5	Very low	104 Å²	104	132.1 Å²	132.1	73%	0.727	73%	0.732	S	S	*	*				55.6	115	91.2	69.6	0	0	0	0	114.6
87	D	31.5	Very low	27.3	Very low	154 Å²	154	135.9 Å²	135.9	82%	0.824	74%	0.743	S	S	*	*				-169.1	175	71.5	-97.8	-38.1	0	0	0	116.4
88	E	30.2	Very low	26.9	Very low	175 Å²	175	134.3 Å²	134.3	82%	0.818	74%	0.743	S	S	*	*			trans	62.1	78.7	162.2	-65.8	-162.3	152.3	0	0	122.9
89	L	30.3	Very low	26.7	Very low	167 Å²	167	134.6 Å²	134.6	87%	0.874	75%	0.748	S	S	*	*				72.5	158.7	124.1	-90.2	78.2	0	0	0	123
90	F	25.9	Very low	26.4	Very low	165 Å²	165	131.7 Å²	131.7	72%	0.724	75%	0.749	S	S	*	*			trans	-136.7	165.9	-154.6	-101.3	-54.7	0	0	0	109	Q92	F90-Q92 HydrophobicContact CD1-CG 3.7Å; F90-Q92 HydrophobicContact CE1-CG 3.62Å; F90-Q92 HydrophobicContact CZ-CG 4.42Å
91	P	28	Very low	26	Very low	123 Å²	123	128.9 Å²	128.9	80%	0.799	75%	0.746	S	S	*	*			cis	-135.1	144.1	45.9	37.4	-18.6	0	0	0	118.9
92	Q	23.8	Very low	25.8	Very low	134 Å²	134	130.6 Å²	130.6	63%	0.626	75%	0.753	S	S	*	*			trans	-21.9	141.2	148.8	-50	170.2	9.9	0	0	114.9	F90	F90-Q92 HydrophobicContact CD1-CG 3.7Å; F90-Q92 HydrophobicContact CE1-CG 3.62Å; F90-Q92 HydrophobicContact CZ-CG 4.42Å
93	N	24.9	Very low	25.3	Very low	166 Å²	166	129.3 Å²	129.3	89%	0.888	75%	0.746	S	S	*	*			trans	-135.3	132.5	132.3	-141.6	-18.3	0	0	0	110.1
94	T	23	Very low	25	Very low	76 Å²	76	130.4 Å²	130.4	47%	0.466	75%	0.748	S	S	.	*			trans	-102.8	126.5	-171.4	40.1	0	0	0	0	110.2	K96	T94-K96 PolarHBondContact O-N 2.83Å; T94-K96 WeakPolarHBondContact OG1-CE 3.45Å
95	G	24.4	Very low	24.7	Very low	85 Å²	85	131.3 Å²	131.3	88%	0.876	75%	0.745	S	S	*	*			trans	-69.9	60.6	175.7	0	0	0	0	0	113.1	I97	G95-I97 PolarHBondContact O-N 3.19Å
96	K	22	Very low	24.3	Very low	165 Å²	165	136.3 Å²	136.3	72%	0.717	75%	0.751	S	S	*	*			trans	-69.8	94.8	-179.3	-71	173.3	177.9	169	0	110.8	T94 N98	T94-K96 PolarHBondContact O-N 2.83Å; T94-K96 WeakPolarHBondContact OG1-CE 3.45Å; K96-N98 PolarHBondContact O-N 2.96Å; K96-N98 VanDerWaalsContact O-N 3.07Å
97	I	22.4	Very low	24.1	Very low	175 Å²	175	136.5 Å²	136.5	90%	0.897	74%	0.744	S	S	*	*			trans	-80	79.5	156.4	-55.6	-178	0	0	0	107.1	G95	G95-I97 PolarHBondContact O-N 3.19Å
98	N	20.3	Very low	23.8	Very low	140 Å²	140	137.4 Å²	137.4	75%	0.749	75%	0.746	S	S	*	*			trans	-94.9	158.3	177.4	-159.5	7.2	0	0	0	111.3	K96	K96-N98 PolarHBondContact O-N 2.96Å; K96-N98 VanDerWaalsContact O-N 3.07Å
99	V	23	Very low	23.5	Very low	124 Å²	124	131.3 Å²	131.3	75%	0.752	72%	0.717	S	S	*	*			trans	-85.5	154.6	-163.7	-174	0	0	0	0	112.4
100	S	19.8	Very low	23.3	Very low	107 Å²	107	133.3 Å²	133.3	75%	0.748	71%	0.712	S	S	*	*			trans	120.4	112	145.3	75.5	0	0	0	0	117.8
101	S	20.9	Very low	23.3	Very low	93 Å²	93	129.7 Å²	129.7	65%	0.65	70%	0.701	S	S	*	*				-169.1	100.4	124.9	24.7	0	0	0	0	109
102	V	21.8	Very low	23.3	Very low	124 Å²	124	129 Å²	129	75%	0.752	70%	0.699	S	S	*	*			trans	-70	144.5	176.7	167.9	0	0	0	0	110	I228	V102-I228 WeakPolarHBondContact O-CD1 3.38Å
103	L	21.3	Very low	23.5	Very low	109 Å²	109	129.7 Å²	129.7	57%	0.571	70%	0.702	S	S	*	*			trans	-161	118.3	137.3	-105.6	170.6	0	0	0	112.3	I228	L103-I228 HydrophobicContact CD1-CD1 4.13Å; L103-I228 HydrophobicContact CG-CD1 4.29Å
104	V	22	Very low	23.6	Very low	114 Å²	114	128.6 Å²	128.6	69%	0.691	70%	0.695	S	S	*	*			trans	68.6	93.2	161.5	-165.3	0	0	0	0	117.7
105	K	22.6	Very low	23.9	Very low	195 Å²	195	129.2 Å²	129.2	85%	0.848	71%	0.709	S	S	*	*			trans	-55.6	151.6	142.9	-54.4	163.1	177.5	169	0	109.2
106	Q	23.2	Very low	23.9	Very low	167 Å²	167	135.4 Å²	135.4	78%	0.78	71%	0.705	S	S	*	*				-163.2	137.4	121.9	-113.5	168.2	19	0	0	113.2	M108	Q106-M108 PolarHBondContact O-N 3.16Å
107	D	23.8	Very low	24	Very low	109 Å²	109	131.3 Å²	131.3	58%	0.583	70%	0.695	S	S	*	*			trans	-63.4	123.7	155.8	-42.1	-71	0	0	0	107.5	K109 K751	D107-K109 VanDerWaalsContact C-N 3.27Å; D107-K109 PolarHBondContact O-N 3.47Å; D107-K751 IonicContact OD2-NZ 3.29Å; D107-K751 PolarHBondContact OD2-NZ 2.84Å
108	M	26.1	Very low	24.3	Very low	172 Å²	172	127.2 Å²	127.2	85%	0.847	68%	0.679	S	S	*	*			trans	-92.1	70.8	152.6	-85.6	-164.2	161.7	0	0	109.6	Q106	Q106-M108 PolarHBondContact O-N 3.16Å
109	K	24.7	Very low	24.8	Very low	48 Å²	48	127.8 Å²	127.8	21%	0.209	68%	0.681	C	S	.	*			trans	-56.1	137.6	142.3	-77.5	-172	176.9	-179.9	0	107	D107 N111 I744 D747	D107-K109 VanDerWaalsContact C-N 3.27Å; D107-K109 PolarHBondContact O-N 3.47Å; K109-N111 PolarHBondContact O-N 2.72Å; K109-I744 PolarHBondContact NZ-O 3.27Å; K109-D747 IonicContact NZ-OD2 2.7Å; K109-D747 PolarHBondContact NZ-OD2 2.86Å
110	W	26.3	Very low	25	Very low	208 Å²	208	128.7 Å²	128.7	79%	0.788	68%	0.677	S	S	*	*			trans	-72.2	74.6	178.8	-168.7	-87.3	0	0	0	110.5	S112 P434	W110-S112 PolarHBondContact O-N 3.1Å; W110-S112 VanDerWaalsContact O-N 3.17Å; W110-P434 HydrophobicContact CH2-CG 3.49Å; W110-P434 VanDerWaalsContact CH2-CG 3.49Å; W110-P434 HydrophobicContact CZ2-CG 4.22Å; W110-P434 HydrophobicContact CZ3-CG 3.84Å
111	N	24.4	Very low	25.5	Very low	90 Å²	90	130.9 Å²	130.9	48%	0.481	68%	0.68	S	S	.	*			trans	-72.1	106.6	177.9	-101	21.4	0	0	0	109.5	K109 Q113 L114	K109-N111 PolarHBondContact O-N 2.72Å; N111-Q113 PolarHBondContact O-N 3.31Å; N111-L114 PolarHBondContact O-N 2.57Å
112	S	29.5	Very low	25.8	Very low	109 Å²	109	135.2 Å²	135.2	76%	0.762	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	22	179.1	50.4	0	0	0	0	115.2	W110	W110-S112 PolarHBondContact O-N 3.1Å; W110-S112 VanDerWaalsContact O-N 3.17Å
113	Q	27	Very low	26.1	Very low	148 Å²	148	134.1 Å²	134.1	69%	0.692	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	-24.1	-177.4	-68.5	176.8	-23	0	0	113.1	N111 A115 R116	N111-Q113 PolarHBondContact O-N 3.31Å; Q113-A115 PolarHBondContact O-N 2.88Å; Q113-R116 PolarHBondContact O-N 3Å
114	L	27.2	Very low	26.4	Very low	142 Å²	142	135.3 Å²	135.3	74%	0.743	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	0.7	179.3	-73.8	170.8	0	0	0	114.3	N111 R116	N111-L114 PolarHBondContact O-N 2.57Å; L114-R116 VanDerWaalsContact C-N 3.26Å; L114-R116 PolarHBondContact O-N 2.97Å
115	A	28.5	Very low	26.6	Very low	90 Å²	90	136.1 Å²	136.1	74%	0.744	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-1	172	0	0	0	0	0	113.9	Q113	Q113-A115 PolarHBondContact O-N 2.88Å
116	R	24.8	Very low	27.1	Very low	215 Å²	215	132 Å²	132	81%	0.811	70%	0.696	S	S	*	*			trans	-116.7	87.6	176.1	-72.8	179.6	168.8	-179.8	-5.9	110.1	Q113 L114	Q113-R116 PolarHBondContact O-N 3Å; L114-R116 VanDerWaalsContact C-N 3.26Å; L114-R116 PolarHBondContact O-N 2.97Å
117	P	25.4	Very low	27.5	Very low	78 Å²	78	131.9 Å²	131.9	51%	0.506	70%	0.699	S	S	.	*	S	Bend		-142.2	-0.9	119.5	22.9	-2.8	0	0	0	115.2	L119	P117-L119 VanDerWaalsContact C-N 3.34Å; P117-L119 PolarHBondContact O-N 2.99Å
118	V	28.4	Very low	27.6	Very low	90 Å²	90	133.5 Å²	133.5	55%	0.545	71%	0.708	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.1	-19.6	-169.5	-176.2	0	0	0	0	113.7
119	L	29.7	Very low	27.8	Very low	152 Å²	152	136.5 Å²	136.5	80%	0.796	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-19.8	-178.6	-87.4	161.1	0	0	0	114.7	P117	P117-L119 VanDerWaalsContact C-N 3.34Å; P117-L119 PolarHBondContact O-N 2.99Å
120	E	28.4	Very low	27.9	Very low	142 Å²	142	142.6 Å²	142.6	66%	0.664	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-88.1	-9.9	-169.9	-68	171.8	156.1	0	0	113.7
121	L	28.9	Very low	28	Very low	154 Å²	154	141.3 Å²	141.3	81%	0.806	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-88.4	5.1	178.8	-75	167.8	0	0	0	114.5
122	F	28.4	Very low	28.1	Very low	183 Å²	183	143.7 Å²	143.7	80%	0.803	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-123.5	6.4	179.2	-70.4	-78.5	0	0	0	114.2
123	T	28.2	Very low	28.1	Very low	102 Å²	102	143.8 Å²	143.8	63%	0.626	76%	0.755	S	S	*	*	S	Bend	trans	-119.1	113.8	176.1	49.8	0	0	0	0	110.5
124	T	27.4	Very low	28.3	Very low	133 Å²	133	144.4 Å²	144.4	82%	0.816	76%	0.762	S	S	*	*			trans	-67.2	136.7	176.4	46.1	0	0	0	0	111.6
125	P	26.8	Very low	28.3	Very low	131 Å²	131	142.1 Å²	142.1	85%	0.851	76%	0.758	S	S	*	*			trans	-76.7	143.5	-177.8	31.5	-35.4	0	0	0	112.2
126	S	32.1	Very low	28.4	Very low	110 Å²	110	146.1 Å²	146.1	77%	0.769	76%	0.762	S	S	*	*			trans	-141.9	78	176.9	64.3	0	0	0	0	113.1
127	I	31.4	Very low	28.7	Very low	164 Å²	164	141.5 Å²	141.5	84%	0.841	76%	0.757	S	S	*	*			trans	60.1	133.5	144.4	-57.8	173.4	0	0	0	118.6
128	D	25.9	Very low	29	Very low	143 Å²	143	145.9 Å²	145.9	77%	0.765	77%	0.771	S	S	*	*			trans	-65.9	154.1	-177.1	-38.3	-94.8	0	0	0	114.7
129	R	30.4	Very low	29.1	Very low	235 Å²	235	150.9 Å²	150.9	89%	0.887	79%	0.786	S	S	*	*				-166	157.8	112.4	-106.5	168.9	-170.3	-174.8	2.9	114.5
130	E	26.1	Very low	29.1	Very low	176 Å²	176	152.9 Å²	152.9	82%	0.822	79%	0.791	S	S	*	*			trans	-69.8	151.6	178.5	-53.7	140.2	119.5	0	0	112
131	L	30.1	Very low	28.9	Very low	181 Å²	181	154 Å²	154	95%	0.948	80%	0.8	S	S	*	*				-167.1	158.7	118.9	-103	164.3	0	0	0	110.4
132	D	26	Very low	29.2	Very low	140 Å²	140	151.5 Å²	151.5	75%	0.749	79%	0.793	S	S	*	*			trans	-126.8	167.2	-153.8	-158.5	-6	0	0	0	112.8
133	T	28.6	Very low	29.1	Very low	111 Å²	111	152.6 Å²	152.6	68%	0.681	79%	0.794	S	S	*	*			trans	76.8	153.9	164.4	73.1	0	0	0	0	121.3
134	L	30.8	Very low	29.2	Very low	160 Å²	160	153.8 Å²	153.8	84%	0.838	80%	0.801	S	S	*	*			trans	71.9	140.6	165.9	-51.9	-179.3	0	0	0	118.5
135	S	28.6	Very low	29.1	Very low	94 Å²	94	151.4 Å²	151.4	66%	0.657	80%	0.795	S	S	*	*			cis	-176.9	149.7	-32.9	44.6	0	0	0	0	108.5
136	E	30.4	Very low	29.1	Very low	175 Å²	175	153.8 Å²	153.8	82%	0.818	80%	0.795	S	S	*	*			trans	9.8	134.5	160.4	-51.6	-175.6	108	0	0	119.9
137	T	30.3	Very low	29	Very low	117 Å²	117	156.5 Å²	156.5	72%	0.718	80%	0.8	S	S	*	*				-177	161.8	87.5	25.8	0	0	0	0	114.8
138	Q	32.5	Very low	28.7	Very low	171 Å²	171	154.5 Å²	154.5	80%	0.799	80%	0.796	S	S	*	*			trans	66	121.9	159.9	-67.2	161.5	27.9	0	0	117.6
139	K	29.4	Very low	28.9	Very low	195 Å²	195	154.5 Å²	154.5	85%	0.848	80%	0.801	S	S	*	*			cis	79.9	101.5	41.7	-66.1	-176.8	176.6	178.2	0	115.2
140	Q	31.3	Very low	28.6	Very low	194 Å²	194	150.6 Å²	150.6	91%	0.907	80%	0.798	S	S	*	*				-178.3	164.9	107.6	-97.4	174.7	-2	0	0	113.6
141	L	23.7	Very low	28.7	Very low	164 Å²	164	148.5 Å²	148.5	86%	0.859	80%	0.797	S	S	*	*			trans	-118.2	-160.7	178.3	-66.5	152.8	0	0	0	107.6
142	P	34.6	Very low	28.4	Very low	102 Å²	102	146.7 Å²	146.7	66%	0.662	78%	0.784	S	S	*	*			cis	-137.2	-170.5	-20.5	15.4	12.7	0	0	0	114.6
143	Y	26.2	Very low	28.5	Very low	206 Å²	206	146.4 Å²	146.4	81%	0.808	79%	0.787	S	S	*	*			trans	92.7	142.1	137.1	-96.5	-58.4	0	0	0	124.5
144	T	30.7	Very low	28.3	Very low	128 Å²	128	147.2 Å²	147.2	79%	0.785	78%	0.781	S	S	*	*			trans	66.5	157.4	156.4	54	0	0	0	0	119.4
145	A	26.1	Very low	28	Very low	82 Å²	82	149.8 Å²	149.8	68%	0.678	78%	0.78	S	S	*	*			cis	-169.5	160.3	-32.5	0	0	0	0	0	109.1
146	E	25.5	Very low	28.1	Very low	182 Å²	182	153.1 Å²	153.1	85%	0.85	79%	0.79	S	S	*	*			trans	32.6	129.4	155.8	-65.7	176.3	-174.8	0	0	121.7
147	N	31	Very low	28	Very low	166 Å²	166	149.2 Å²	149.2	89%	0.888	78%	0.782	S	S	*	*				-161.2	144.4	122.9	-109.2	-66.4	0	0	0	111.9
148	T	25	Very low	28.1	Very low	123 Å²	123	148.6 Å²	148.6	76%	0.755	77%	0.774	S	S	*	*			trans	-110.3	148.6	175.5	50.7	0	0	0	0	110.6
149	T	29.3	Very low	27.8	Very low	142 Å²	142	148.6 Å²	148.6	87%	0.871	77%	0.772	S	S	*	*			trans	-137.5	130.1	162.6	43.7	0	0	0	0	110.7
150	N	24.8	Very low	27.9	Very low	153 Å²	153	149.8 Å²	149.8	82%	0.818	77%	0.771	S	S	*	*			trans	-88.1	147.9	175.3	-67	-62.1	0	0	0	110.5
151	V	27.5	Very low	27.8	Very low	133 Å²	133	151.5 Å²	151.5	81%	0.806	77%	0.769	S	S	*	*			trans	-132.2	100.3	157.5	-177.6	0	0	0	0	108.5	V153	V151-V153 HydrophobicContact CG1-CG2 4.33Å
152	E	24	Very low	28	Very low	142 Å²	142	147.3 Å²	147.3	66%	0.664	77%	0.765	S	S	*	*			trans	-76.5	141.5	161.7	-74.4	-166.6	124.1	0	0	109.9	K154	E152-K154 WeakPolarHBondContact OE1-CE 3.4Å; E152-K154 IonicContact OE1-NZ 2.76Å; E152-K154 PolarHBondContact OE1-NZ 3.13Å; E152-K154 IonicContact OE2-NZ 3Å; E152-K154 PolarHBondContact OE2-NZ 3.09Å
153	V	27.9	Very low	27.7	Very low	135 Å²	135	150.8 Å²	150.8	82%	0.818	78%	0.777	S	S	*	*			trans	-125.6	112.9	156.7	-179.1	0	0	0	0	108.1	V151	V151-V153 HydrophobicContact CG1-CG2 4.33Å
154	K	25.6	Very low	27.7	Very low	127 Å²	127	146.4 Å²	146.4	55%	0.552	77%	0.772	S	S	*	*			trans	-99.8	135.5	-179.7	-76.6	-170	171.5	95.8	0	111.5	E152	E152-K154 WeakPolarHBondContact OE1-CE 3.4Å; E152-K154 IonicContact OE1-NZ 2.76Å; E152-K154 PolarHBondContact OE1-NZ 3.13Å; E152-K154 IonicContact OE2-NZ 3Å; E152-K154 PolarHBondContact OE2-NZ 3.09Å
155	R	24.3	Very low	27.7	Very low	215 Å²	215	146 Å²	146	81%	0.811	77%	0.765	S	S	*	*			trans	52	129.7	146.3	-61.2	175.3	178.5	169.1	-1.8	119
156	N	29.6	Very low	27.9	Very low	163 Å²	163	149.4 Å²	149.4	87%	0.872	77%	0.766	S	S	*	*				-161.3	173.9	102.5	-98.5	-18.5	0	0	0	111.9
157	S	28.8	Very low	27.9	Very low	94 Å²	94	147.6 Å²	147.6	66%	0.657	76%	0.763	S	S	*	*			trans	-126.3	-178.9	-160.6	55.4	0	0	0	0	114.1
158	D	31.8	Very low	27.8	Very low	103 Å²	103	145.6 Å²	145.6	55%	0.551	76%	0.762	S	S	*	*			trans	91.9	100.6	155.9	-70.5	-78	0	0	0	121.6
159	K	27.6	Very low	27.9	Very low	172 Å²	172	143.3 Å²	143.3	75%	0.748	76%	0.762	S	S	*	*				48.9	124.4	121.6	-57.3	173	-174.6	119.1	0	119.1
160	R	31.1	Very low	27.6	Very low	219 Å²	219	145.5 Å²	145.5	83%	0.826	77%	0.765	S	S	*	*				-178.4	137.2	99	-96.3	167.5	-167.2	-150.2	4.1	114.6
161	R	29.7	Very low	27.7	Very low	230 Å²	230	146.7 Å²	146.7	87%	0.868	77%	0.765	S	S	*	*			trans	34.9	124.4	140.7	-59.2	178.3	177.8	174.8	-3	119.9
162	G	26.5	Very low	27.6	Very low	76 Å²	76	145.9 Å²	145.9	78%	0.784	77%	0.766	S	S	*	*			trans	-98.6	-168.1	161.4	0	0	0	0	0	113.9
163	I	29.1	Very low	27.5	Very low	175 Å²	175	145.1 Å²	145.1	90%	0.897	78%	0.775	S	S	*	*			trans	-142.5	163.8	174.8	-89.6	160.8	0	0	0	108.2
164	T	26	Very low	27.4	Very low	115 Å²	115	144 Å²	144	71%	0.706	77%	0.773	S	S	*	*			trans	-112.7	-171.4	-165.6	49.1	0	0	0	0	114
165	N	31.5	Very low	27.3	Very low	119 Å²	119	145.5 Å²	145.5	64%	0.636	79%	0.786	S	S	*	*			trans	81.7	148.2	167.7	-55.6	47.6	0	0	0	115.9
166	E	28.4	Very low	27.2	Very low	153 Å²	153	141.8 Å²	141.8	72%	0.715	78%	0.782	S	S	*	*			cis	-165.3	152.8	-21.6	-113.1	151.2	-170.5	0	0	110.1
167	D	25.8	Very low	27.1	Very low	145 Å²	145	139.8 Å²	139.8	78%	0.775	78%	0.781	S	S	*	*			trans	42.4	145.3	150.5	-62.9	-10.9	0	0	0	126.9
168	S	29.5	Very low	26.9	Very low	124 Å²	124	144.1 Å²	144.1	87%	0.867	79%	0.791	S	S	*	*			trans	94.8	147.1	142.9	78.7	0	0	0	0	122.3
169	G	27	Very low	26.5	Very low	74 Å²	74	146 Å²	146	76%	0.763	80%	0.8	S	S	*	*			trans	80.1	103.9	173.3	0	0	0	0	0	115
170	M	23.6	Very low	26.3	Very low	188 Å²	188	148.1 Å²	148.1	93%	0.926	81%	0.809	S	S	*	*				47.5	97	57.7	-95	-170.8	174.1	0	0	114.7
171	E	25.7	Very low	26	Very low	178 Å²	178	143.1 Å²	143.1	83%	0.832	81%	0.808	S	S	*	*				175.3	144	104.1	-95.9	-168.9	169.7	0	0	115.8
172	S	26	Very low	25.7	Very low	117 Å²	117	139.3 Å²	139.3	82%	0.818	80%	0.804	S	S	*	*			trans	70.4	159.1	151.1	80.7	0	0	0	0	121.2
173	C	22.5	Very low	25.5	Very low	125 Å²	125	146.6 Å²	146.6	85%	0.845	81%	0.809	S	S	*	*			trans	-100.7	143	-173.7	-51.6	0	0	0	0	112.7
174	S	25.1	Very low	25.3	Very low	112 Å²	112	146.4 Å²	146.4	78%	0.783	81%	0.809	S	S	*	*				177.9	150	121.6	57.2	0	0	0	0	112.8
175	L	23.1	Very low	25.1	Very low	159 Å²	159	146 Å²	146	83%	0.832	81%	0.811	S	S	*	*			trans	42.1	166.8	151.5	-102.8	63.1	0	0	0	123
176	D	23.9	Very low	24.9	Very low	136 Å²	136	146 Å²	146	73%	0.727	82%	0.819	S	S	*	*			trans	53.3	91.3	168.6	-81	21.5	0	0	0	119.9
177	S	25.5	Very low	24.6	Very low	121 Å²	121	146 Å²	146	85%	0.846	82%	0.824	S	S	*	*			trans	-134.8	15	157.5	65.9	0	0	0	0	114.5
178	H	25.5	Very low	24.8	Very low	185 Å²	185	145.8 Å²	145.8	86%	0.856	83%	0.828	S	S	*	*			trans	-106.7	20.8	-173.9	-108	107.7	0	0	0	115.4
179	L	24	Very low	24.7	Very low	144 Å²	144	149 Å²	149	75%	0.754	83%	0.826	S	S	*	*			trans	-132.6	83.1	179.9	-76	173.4	0	0	0	112.7
180	K	23	Very low	24.6	Very low	216 Å²	216	154.5 Å²	154.5	94%	0.939	83%	0.829	S	S	*	*	S	Bend	trans	-178.7	73.3	158.5	-103.7	155	-174.2	172.9	0	113.7
181	S	24.8	Very low	24.8	Very low	114 Å²	114	153.1 Å²	153.1	80%	0.797	83%	0.825	S	S	*	*	S	Bend	trans	-152.7	-12.1	167.3	64.7	0	0	0	0	117.5
182	L	23.9	Very low	24.9	Very low	149 Å²	149	152.6 Å²	152.6	78%	0.78	83%	0.828	S	S	*	*			trans	-131.3	86.2	-176	-77.8	169.2	0	0	0	112.8
183	Y	21.6	Very low	25	Very low	229 Å²	229	151.9 Å²	151.9	90%	0.898	83%	0.829	S	S	*	*			trans	-154.7	153.2	157.5	-109.8	-80.8	0	0	0	108.8
184	L	24	Very low	25.2	Very low	172 Å²	172	155.4 Å²	155.4	90%	0.901	83%	0.83	S	S	*	*			trans	74.4	131.6	-157.2	-55.4	153	0	0	0	111.7
185	S	23.4	Very low	25.7	Very low	107 Å²	107	160.1 Å²	160.1	75%	0.748	84%	0.837	S	S	*	*			cis	-158.8	165.5	-3.9	49.2	0	0	0	0	110.9
186	C	26	Very low	25.9	Very low	118 Å²	118	160 Å²	160	80%	0.797	84%	0.836	S	S	*	*			trans	102.6	103.3	-171.5	-65.3	0	0	0	0	111.7
187	D	23.7	Very low	26.1	Very low	154 Å²	154	159.5 Å²	159.5	82%	0.824	84%	0.843	S	S	*	*			cis	68.7	67.1	14.5	-145	19.9	0	0	0	115.5
188	V	28.5	Very low	26.3	Very low	140 Å²	140	159.6 Å²	159.6	85%	0.848	84%	0.841	S	S	*	*			trans	-132.1	144.1	153.2	-178	0	0	0	0	107.9
189	K	27.5	Very low	26.3	Very low	190 Å²	190	154.1 Å²	154.1	83%	0.826	83%	0.834	S	S	*	*			trans	-83.1	156.4	-163.3	-61.2	173.5	-178.3	174.3	0	113.8
190	K	25	Very low	26.4	Very low	191 Å²	191	157.1 Å²	157.1	83%	0.83	84%	0.842	S	S	*	*			trans	-65	138.7	152.3	-64.6	173.2	177.3	175.5	0	109.2
191	D	27.5	Very low	26.5	Very low	158 Å²	158	155.1 Å²	155.1	85%	0.845	84%	0.836	S	S	*	*			trans	-175.7	-174.3	130.1	-93.8	-30.2	0	0	0	110
192	D	28.7	Very low	26.6	Very low	168 Å²	168	157.5 Å²	157.5	90%	0.898	84%	0.839	S	S	*	*			trans	65.1	50.5	175.9	-69	-21.4	0	0	0	118.7
193	A	27.1	Very low	26.7	Very low	102 Å²	102	158.8 Å²	158.8	84%	0.843	84%	0.838	S	S	*	*			trans	-110.3	59.2	160.1	0	0	0	0	0	112.5
194	K	28.2	Very low	26.9	Very low	198 Å²	198	155.4 Å²	155.4	86%	0.861	84%	0.835	S	S	*	*			trans	-143.1	92.2	176.2	-80.1	-170.8	178.4	173.7	0	115.2
195	K	34.4	Very low	27.1	Very low	212 Å²	212	152.4 Å²	152.4	92%	0.922	82%	0.819	S	S	*	*			trans	-164.3	131.3	137.5	-108.1	160.4	-173.8	174.8	0	109.5
196	L	27.6	Very low	27.4	Very low	157 Å²	157	150.4 Å²	150.4	82%	0.822	80%	0.802	S	S	*	*			trans	-96.3	150	-176.2	-67.6	83.8	0	0	0	111.4
197	S	28.5	Very low	27.6	Very low	124 Å²	124	149.7 Å²	149.7	87%	0.867	80%	0.799	S	S	*	*			trans	-127.5	117.3	141.9	-69	0	0	0	0	107.3
198	P	30.2	Very low	28.1	Very low	123 Å²	123	149.5 Å²	149.5	80%	0.799	79%	0.793	S	S	*	*			trans	-88.2	151.2	-176.3	34.4	-34.3	0	0	0	112.5
199	G	25.5	Very low	28.3	Very low	70 Å²	70	146.5 Å²	146.5	72%	0.722	77%	0.772	S	S	*	*			trans	120.8	84.4	160.4	0	0	0	0	0	116.1
200	F	25.8	Very low	28.6	Very low	208 Å²	208	140.1 Å²	140.1	91%	0.912	75%	0.749	S	S	*	*			trans	-159.2	119.3	141.1	-113.2	-72.9	0	0	0	109.5	L202	F200-L202 PolarHBondContact O-N 2.92Å
201	E	24.1	Very low	29.2	Very low	174 Å²	174	132.3 Å²	132.3	81%	0.813	72%	0.718	S	S	*	*			trans	-80.4	95.8	177.1	-67.9	-173.6	146	0	0	110.7	K203	E201-K203 PolarHBondContact O-N 2.84Å
202	L	27.1	Very low	29.7	Very low	163 Å²	163	126.5 Å²	126.5	85%	0.853	70%	0.695	S	S	*	*			trans	-73.8	96.3	167.1	-86.3	167.2	0	0	0	109.7	F200 N204	F200-L202 PolarHBondContact O-N 2.92Å; L202-N204 PolarHBondContact O-N 2.83Å
203	K	26.2	Very low	30.2	Very low	177 Å²	177	124.3 Å²	124.3	77%	0.77	68%	0.678	S	S	*	*			trans	-55.9	133.2	179.6	-65.8	179.6	179	177.9	0	111.7	E201 I205	E201-K203 PolarHBondContact O-N 2.84Å; K203-I205 PolarHBondContact O-N 3.31Å; K203-I205 VanDerWaalsContact O-N 3.13Å
204	N	26.6	Very low	30.8	Very low	157 Å²	157	121.9 Å²	121.9	84%	0.84	65%	0.653	S	S	*	*			trans	-11.7	97	172.2	-58.7	-4.8	0	0	0	115.5	L202	L202-N204 PolarHBondContact O-N 2.83Å
205	I	28.4	Very low	31.5	Very low	110 Å²	110	116.1 Å²	116.1	56%	0.564	63%	0.63	S	S	*	*			trans	-88.6	122.6	157.1	-60	177.7	0	0	0	106.2	K203 D209 V210	K203-I205 PolarHBondContact O-N 3.31Å; K203-I205 VanDerWaalsContact O-N 3.13Å; I205-D209 HydrophobicContact CG2-CB 3.76Å; I205-V210 HydrophobicContact CG2-CG2 3.84Å
206	T	29.6	Very low	32	Very low	64 Å²	64	112.3 Å²	112.3	39%	0.393	62%	0.615	S	S	.	*			trans	-80.6	162.7	179.5	69.6	0	0	0	0	111.4	E208 D209 V210	T206-E208 PolarHBondContact O-N 3.05Å; T206-E208 PolarHBondContact OG1-N 3.42Å; T206-D209 WeakPolarHBondContact CB-OD2 3.5Å; T206-D209 PolarHBondContact N-OD2 2.96Å; T206-D209 WeakPolarHBondContact O-CB 3.48Å; T206-D209 PolarHBondContact O-N 2.8Å; T206-D209 VanDerWaalsContact OG1-CG 3.3Å; T206-D209 PolarHBondContact OG1-N 2.85Å; T206-D209 VanDerWaalsContact OG1-N 3.14Å; T206-D209 PolarHBondContact OG1-OD2 3.09Å; T206-V210 PolarHBondContact O-N 3.09Å
207	S	30.3	Very low	32.5	Very low	103 Å²	103	109 Å²	109	72%	0.72	60%	0.598	S	S	*	*	H	α-helix	trans	-62.1	-26.9	171.3	50.4	0	0	0	0	112.5	C211	S207-C211 VanDerWaalsContact O-CB 3.31Å; S207-C211 WeakPolarHBondContact O-CB 3.45Å; S207-C211 PolarHBondContact O-N 2.76Å
208	E	33.5	Very low	33	Very low	150 Å²	150	105.6 Å²	105.6	70%	0.701	57%	0.569	S	S	*	*	H	α-helix	trans	-69.9	-39.5	174.2	-61.5	-169.3	110.8	0	0	112.1	T206 V210 C211 G212	T206-E208 PolarHBondContact O-N 3.05Å; T206-E208 PolarHBondContact OG1-N 3.42Å; E208-V210 VanDerWaalsContact C-N 3.34Å; E208-V210 PolarHBondContact O-N 3.11Å; E208-C211 PolarHBondContact O-N 2.76Å; E208-G212 PolarHBondContact O-N 3.23Å
209	D	33.4	Very low	33.5	Very low	77 Å²	77	102.9 Å²	102.9	41%	0.412	55%	0.548	S	S	.	.	H	α-helix	trans	-61	-42.5	175.3	-66.8	-65.9	0	0	0	112	I205 T206 K213	I205-D209 HydrophobicContact CG2-CB 3.76Å; T206-D209 WeakPolarHBondContact CB-OD2 3.5Å; T206-D209 PolarHBondContact N-OD2 2.96Å; T206-D209 WeakPolarHBondContact O-CB 3.48Å; T206-D209 PolarHBondContact O-N 2.8Å; T206-D209 VanDerWaalsContact OG1-CG 3.3Å; T206-D209 PolarHBondContact OG1-N 2.85Å; T206-D209 VanDerWaalsContact OG1-N 3.14Å; T206-D209 PolarHBondContact OG1-OD2 3.09Å; D209-K213 WeakPolarHBondContact O-CB 3.34Å; D209-K213 WeakPolarHBondContact O-CG 3.33Å; D209-K213 PolarHBondContact O-N 3.29Å; D209-K213 VanDerWaalsContact O-N 3.1Å
210	V	33.8	Very low	34	Very low	56 Å²	56	106 Å²	106	34%	0.339	55%	0.547	S	S	.	.	H	α-helix	trans	-66.8	-49.5	176.8	-177.9	0	0	0	0	110.1	I205 T206 E208 G212 K213 T214 I427	I205-V210 HydrophobicContact CG2-CG2 3.84Å; T206-V210 PolarHBondContact O-N 3.09Å; E208-V210 VanDerWaalsContact C-N 3.34Å; E208-V210 PolarHBondContact O-N 3.11Å; V210-G212 VanDerWaalsContact C-N 3.32Å; V210-G212 PolarHBondContact O-N 3.11Å; V210-K213 PolarHBondContact O-N 3.12Å; V210-T214 PolarHBondContact O-N 3.21Å; V210-T214 PolarHBondContact O-OG1 3.01Å; V210-T214 VanDerWaalsContact O-OG1 3.09Å; V210-I427 HydrophobicContact CG1-CD1 4.37Å
211	C	36.5	Very low	34.3	Very low	27 Å²	27	101 Å²	101	18%	0.182	53%	0.529	C	S	.	.	H	α-helix	trans	-60.2	-42	179.9	-165.1	0	0	0	0	111.9	S207 E208 T214 M215 N385	S207-C211 VanDerWaalsContact O-CB 3.31Å; S207-C211 WeakPolarHBondContact O-CB 3.45Å; S207-C211 PolarHBondContact O-N 2.76Å; E208-C211 PolarHBondContact O-N 2.76Å; C211-T214 PolarHBondContact O-N 3.37Å; C211-M215 WeakPolarHBondContact O-CB 3.15Å; C211-M215 WeakPolarHBondContact O-CG 3.34Å; C211-M215 PolarHBondContact O-N 2.98Å; C211-N385 PolarHBondContact SG-O 2.96Å
212	G	39.5	Very low	34.8	Very low	36 Å²	36	99.7 Å²	99.7	37%	0.371	52%	0.518	S	S	.	.	H	α-helix	trans	-60.6	-47	175.5	0	0	0	0	0	112.7	E208 V210 M215 Q216	E208-G212 PolarHBondContact O-N 3.23Å; V210-G212 VanDerWaalsContact C-N 3.32Å; V210-G212 PolarHBondContact O-N 3.11Å; G212-M215 PolarHBondContact O-N 2.96Å; G212-Q216 WeakPolarHBondContact O-CG 3.31Å; G212-Q216 PolarHBondContact O-N 2.96Å
213	K	39.1	Very low	35	Very low	123 Å²	123	96.7 Å²	96.7	54%	0.535	51%	0.508	S	S	.	.	H	α-helix	trans	-65.4	-41.3	176.3	-74.1	174.6	-179.2	177.3	0	112.6	D209 V210 Q216 L217	D209-K213 WeakPolarHBondContact O-CB 3.34Å; D209-K213 WeakPolarHBondContact O-CG 3.33Å; D209-K213 PolarHBondContact O-N 3.29Å; D209-K213 VanDerWaalsContact O-N 3.1Å; V210-K213 PolarHBondContact O-N 3.12Å; K213-Q216 PolarHBondContact O-N 3.17Å; K213-L217 WeakPolarHBondContact O-CD1 3.42Å; K213-L217 PolarHBondContact O-N 3.13Å
214	T	38.7	Very low	35.1	Very low	50 Å²	50	97.7 Å²	97.7	31%	0.307	51%	0.507	S	S	.	.	H	α-helix	trans	-62.9	-42.4	174.8	-57.2	0	0	0	0	111.5	V210 C211 L217 M218	V210-T214 PolarHBondContact O-N 3.21Å; V210-T214 PolarHBondContact O-OG1 3.01Å; V210-T214 VanDerWaalsContact O-OG1 3.09Å; C211-T214 PolarHBondContact O-N 3.37Å; T214-L217 PolarHBondContact O-N 2.81Å; T214-M218 WeakPolarHBondContact O-CG 3.29Å; T214-M218 PolarHBondContact O-N 2.93Å
215	M	43.4	Very low	35.1	Very low	78 Å²	78	99.6 Å²	99.6	38%	0.384	51%	0.507	S	S	.	.	H	α-helix	trans	-65.8	-35.8	174.9	-76	-72	-79.9	0	0	112.4	C211 G212 M218 N219	C211-M215 WeakPolarHBondContact O-CB 3.15Å; C211-M215 WeakPolarHBondContact O-CG 3.34Å; C211-M215 PolarHBondContact O-N 2.98Å; G212-M215 PolarHBondContact O-N 2.96Å; M215-M218 PolarHBondContact O-N 3.28Å; M215-N219 PolarHBondContact O-N 3.29Å; M215-N219 VanDerWaalsContact O-N 3.14Å; M215-N219 PolarHBondContact O-ND2 2.92Å
216	Q	43.6	Very low	35.2	Very low	131 Å²	131	102.4 Å²	102.4	61%	0.612	52%	0.518	S	S	*	.	H	α-helix	trans	-63.2	-47.3	171.2	-77.2	177.1	-19.4	0	0	111.6	G212 K213 M218 N219 L220	G212-Q216 WeakPolarHBondContact O-CG 3.31Å; G212-Q216 PolarHBondContact O-N 2.96Å; K213-Q216 PolarHBondContact O-N 3.17Å; Q216-M218 VanDerWaalsContact C-N 3.32Å; Q216-M218 PolarHBondContact O-N 2.95Å; Q216-N219 PolarHBondContact O-N 2.98Å; Q216-L220 PolarHBondContact O-N 3.26Å
217	L	38.5	Very low	35	Very low	87 Å²	87	110.3 Å²	110.3	46%	0.455	54%	0.541	S	S	.	.	H	α-helix	trans	-56.8	-44.2	174.4	-100	81.5	0	0	0	111.9	K213 T214 N219 L220 I221	K213-L217 WeakPolarHBondContact O-CD1 3.42Å; K213-L217 PolarHBondContact O-N 3.13Å; T214-L217 PolarHBondContact O-N 2.81Å; L217-N219 VanDerWaalsContact C-N 3.32Å; L217-N219 PolarHBondContact O-N 2.83Å; L217-L220 PolarHBondContact O-N 3.04Å; L217-L220 VanDerWaalsContact O-N 3.1Å; L217-I221 HydrophobicContact CB-CD1 4.4Å; L217-I221 VanDerWaalsContact O-CG1 3.26Å; L217-I221 WeakPolarHBondContact O-CG1 3.07Å; L217-I221 PolarHBondContact O-N 2.92Å
218	M	38.8	Very low	34.8	Very low	53 Å²	53	110.1 Å²	110.1	26%	0.261	53%	0.531	S	S	.	.	H	α-helix	trans	-62.9	-35.2	178.8	-72.2	-66.7	-72.1	0	0	113	T214 M215 Q216 Y222 Y415	T214-M218 WeakPolarHBondContact O-CG 3.29Å; T214-M218 PolarHBondContact O-N 2.93Å; M215-M218 PolarHBondContact O-N 3.28Å; Q216-M218 VanDerWaalsContact C-N 3.32Å; Q216-M218 PolarHBondContact O-N 2.95Å; M218-Y222 HydrophobicContact CE-CD2 4.45Å; M218-Y222 HydrophobicContact CE-CE2 4.44Å; M218-Y222 PolarHBondContact O-N 2.86Å; M218-Y415 HydrophobicContact CE-CE2 4.34Å
219	N	40.5	Very low	34.5	Very low	67 Å²	67	109.1 Å²	109.1	36%	0.358	54%	0.535	S	S	.	.	H	α-helix	trans	-77	-23.6	174.2	-73.3	-94.6	0	0	0	112.8	M215 Q216 L217 Y222 R224	M215-N219 PolarHBondContact O-N 3.29Å; M215-N219 VanDerWaalsContact O-N 3.14Å; M215-N219 PolarHBondContact O-ND2 2.92Å; Q216-N219 PolarHBondContact O-N 2.98Å; L217-N219 VanDerWaalsContact C-N 3.32Å; L217-N219 PolarHBondContact O-N 2.83Å; N219-Y222 CarbonylContact O-C 3.54Å; N219-R224 PolarHBondContact OD1-NE 3.09Å; N219-R224 PolarHBondContact OD1-NH2 3.25Å
220	L	36.9	Very low	34.2	Very low	136 Å²	136	108.8 Å²	108.8	71%	0.712	55%	0.55	S	S	*	.	H	α-helix	trans	-78	-42.1	174.6	-84.9	160	0	0	0	112.8	Q216 L217 Y222	Q216-L220 PolarHBondContact O-N 3.26Å; L217-L220 PolarHBondContact O-N 3.04Å; L217-L220 VanDerWaalsContact O-N 3.1Å; L220-Y222 VanDerWaalsContact C-N 3.35Å
221	I	32.4	Very low	33.8	Very low	101 Å²	101	112.4 Å²	112.4	52%	0.518	58%	0.577	S	S	.	*	H	α-helix	trans	-71.8	-32.8	179.1	-62.5	163	0	0	0	110.8	L217 P223	L217-I221 HydrophobicContact CB-CD1 4.4Å; L217-I221 VanDerWaalsContact O-CG1 3.26Å; L217-I221 WeakPolarHBondContact O-CG1 3.07Å; L217-I221 PolarHBondContact O-N 2.92Å; I221-P223 WeakPolarHBondContact O-CD 3.45Å
222	Y	33.5	Very low	33.4	Very low	148 Å²	148	115.5 Å²	115.5	58%	0.58	61%	0.605	S	S	*	*	S	Bend	trans	-122.7	77.2	180	-59.7	-73.2	0	0	0	111.1	M218 N219 L220 R224	M218-Y222 HydrophobicContact CE-CD2 4.45Å; M218-Y222 HydrophobicContact CE-CE2 4.44Å; M218-Y222 PolarHBondContact O-N 2.86Å; N219-Y222 CarbonylContact O-C 3.54Å; L220-Y222 VanDerWaalsContact C-N 3.35Å; Y222-R224 PolarHBondContact O-N 3.08Å
223	P	32.8	Very low	32.7	Very low	100 Å²	100	123.3 Å²	123.3	65%	0.649	63%	0.632	S	S	*	*			trans	-59.6	133	-179.9	24	-33.9	0	0	0	111.3	I221 K225	I221-P223 WeakPolarHBondContact O-CD 3.45Å; P223-K225 PolarHBondContact O-N 3.03Å
224	R	27.7	Very low	32.1	Very low	197 Å²	197	125.2 Å²	125.2	74%	0.743	65%	0.646	S	S	*	*			trans	-61.1	129.5	174.5	-62.6	174.5	-175.3	-178.6	0.6	108.6	N219 Y222 E226	N219-R224 PolarHBondContact OD1-NE 3.09Å; N219-R224 PolarHBondContact OD1-NH2 3.25Å; Y222-R224 PolarHBondContact O-N 3.08Å; R224-E226 PolarHBondContact O-N 3.43Å
225	K	27.4	Very low	31.5	Very low	197 Å²	197	128.7 Å²	128.7	86%	0.857	67%	0.668	S	S	*	*			trans	-62.8	103.5	170.3	-77.3	-168.3	173.3	-171.3	0	109.5	P223	P223-K225 PolarHBondContact O-N 3.03Å
226	E	29.5	Very low	30.7	Very low	169 Å²	169	132 Å²	132	79%	0.79	69%	0.687	S	S	*	*			trans	-73.2	161.5	173.8	-62.6	-162.2	123.6	0	0	111.6	R224 I228	R224-E226 PolarHBondContact O-N 3.43Å; E226-I228 PolarHBondContact O-N 3.45Å
227	R	24.8	Very low	29.9	Very low	231 Å²	231	133.2 Å²	133.2	87%	0.872	70%	0.696	S	S	*	*			trans	-74.2	122	-179.6	-78	175.5	165.1	167.8	-6.7	110	T229	R227-T229 HydrophobicContact CB-CG2 4.34Å
228	I	27.2	Very low	29.3	Very low	99 Å²	99	135.7 Å²	135.7	51%	0.508	71%	0.71	S	S	.	*			trans	-83.9	112.9	151.6	-63.7	174.5	0	0	0	107	V102 L103 E226	V102-I228 WeakPolarHBondContact O-CD1 3.38Å; L103-I228 HydrophobicContact CD1-CD1 4.13Å; L103-I228 HydrophobicContact CG-CD1 4.29Å; E226-I228 PolarHBondContact O-N 3.45Å
229	T	26.8	Very low	28.8	Very low	128 Å²	128	136.6 Å²	136.6	79%	0.785	72%	0.721	S	S	*	*			trans	-89.2	102.3	174.8	47.6	0	0	0	0	109.7	R227	R227-T229 HydrophobicContact CB-CG2 4.34Å
230	G	26.8	Very low	28.1	Very low	70 Å²	70	138.9 Å²	138.9	72%	0.722	74%	0.742	S	S	*	*			trans	-131.9	131	171.9	0	0	0	0	0	110.1
231	S	26	Very low	27.7	Very low	132 Å²	132	135.9 Å²	135.9	92%	0.923	73%	0.731	S	S	*	*			trans	-87.7	116.6	-172	53.9	0	0	0	0	112.9
232	A	26.6	Very low	27.4	Very low	93 Å²	93	137 Å²	137	77%	0.769	75%	0.745	S	S	*	*			trans	-140.9	135.3	162.2	0	0	0	0	0	109.2
233	Q	25.6	Very low	27.1	Very low	199 Å²	199	137.8 Å²	137.8	93%	0.93	76%	0.758	S	S	*	*			trans	-76.8	141.3	178.1	-68.6	167	-42.6	0	0	110.1
234	I	27	Very low	26.7	Very low	163 Å²	163	141.1 Å²	141.1	84%	0.836	77%	0.767	S	S	*	*			trans	-121.8	121.3	168.6	-61.6	177.9	0	0	0	107
235	T	26.8	Very low	26.8	Very low	124 Å²	124	137 Å²	137	76%	0.761	77%	0.768	S	S	*	*			trans	-88	143	173.7	48.2	0	0	0	0	110.7
236	D	24.9	Very low	26.7	Very low	148 Å²	148	137.3 Å²	137.3	79%	0.791	77%	0.769	S	S	*	*			trans	-66	138.6	-176.1	-59.4	-80.5	0	0	0	114.4
237	I	27.8	Very low	26.5	Very low	155 Å²	155	135.4 Å²	135.4	80%	0.795	77%	0.773	S	S	*	*			trans	-135.1	109.4	156	-61.4	-177.7	0	0	0	108.1
238	N	25.9	Very low	26.6	Very low	140 Å²	140	128.8 Å²	128.8	75%	0.749	76%	0.762	S	S	*	*			trans	-86.8	107.9	175.6	-87.6	-55	0	0	0	111.3
239	S	27.9	Very low	26.5	Very low	71 Å²	71	133.2 Å²	133.2	50%	0.497	78%	0.783	S	S	.	*			trans	-166.4	106.4	159.8	47.9	0	0	0	0	113.9
240	S	25.8	Very low	26.7	Very low	115 Å²	115	132.8 Å²	132.8	80%	0.804	78%	0.776	S	S	*	*			trans	-153	117.8	157.3	-77.8	0	0	0	0	108.9
241	P	27.8	Very low	26.8	Very low	74 Å²	74	136.1 Å²	136.1	48%	0.481	77%	0.773	S	S	.	*			trans	-76.4	143.4	175.2	30.4	-32.8	0	0	0	111.6	I243	P241-I243 PolarHBondContact O-N 3.37Å
242	P	27.1	Very low	26.9	Very low	124 Å²	124	138.4 Å²	138.4	81%	0.805	77%	0.773	S	S	*	*			trans	-80.1	118.3	-179	30.8	-33.4	0	0	0	111.9	M244	P242-M244 PolarHBondContact O-N 2.92Å
243	I	26.5	Very low	26.9	Very low	165 Å²	165	141.5 Å²	141.5	85%	0.846	77%	0.773	S	S	*	*			trans	-84.4	94.6	172.2	-57.4	178.8	0	0	0	109.2	P241	P241-I243 PolarHBondContact O-N 3.37Å
244	M	25.7	Very low	27.2	Very low	170 Å²	170	137 Å²	137	84%	0.837	76%	0.764	S	S	*	*			trans	-84.4	116.1	158.7	-72.1	-156.7	-62.2	0	0	109.5	P242 K246	P242-M244 PolarHBondContact O-N 2.92Å; M244-K246 PolarHBondContact O-N 3.47Å; M244-K246 VanDerWaalsContact O-N 3.09Å
245	S	28.5	Very low	27.3	Very low	110 Å²	110	136.1 Å²	136.1	77%	0.769	76%	0.761	S	S	*	*			trans	-73.1	96.8	172.6	41.2	0	0	0	0	110.9	C247	S245-C247 PolarHBondContact O-N 2.94Å; S245-C247 VanDerWaalsContact O-N 3.13Å
246	K	26.1	Very low	27.5	Very low	204 Å²	204	138.6 Å²	138.6	89%	0.887	76%	0.764	S	S	*	*			trans	-62.3	110.2	166.6	-68.6	-177.2	176.3	-178.6	0	109.6	M244	M244-K246 PolarHBondContact O-N 3.47Å; M244-K246 VanDerWaalsContact O-N 3.09Å
247	C	25.1	Very low	27.8	Very low	128 Å²	128	139.4 Å²	139.4	87%	0.865	77%	0.768	S	S	*	*			trans	-77.1	122.7	154	-73.2	0	0	0	0	107.8	S245	S245-C247 PolarHBondContact O-N 2.94Å; S245-C247 VanDerWaalsContact O-N 3.13Å
248	S	26.3	Very low	27.7	Very low	93 Å²	93	140.9 Å²	140.9	65%	0.65	77%	0.769	S	S	*	*			trans	-91.2	125.1	172.8	-167.2	0	0	0	0	109.6	N250	S248-N250 PolarHBondContact OG-OD1 3.45Å
249	M	26.6	Very low	27.9	Very low	191 Å²	191	140.9 Å²	140.9	94%	0.941	77%	0.769	S	S	*	*			trans	-122.6	86.9	161.2	-86.7	-174.1	167	0	0	107.4
250	N	30.7	Very low	27.9	Very low	120 Å²	120	146.1 Å²	146.1	64%	0.642	79%	0.785	S	S	*	*			trans	-90.5	109.9	167.8	-85.7	67.2	0	0	0	109.3	S248	S248-N250 PolarHBondContact OG-OD1 3.45Å
251	E	27.6	Very low	28	Very low	140 Å²	140	147.3 Å²	147.3	65%	0.654	79%	0.787	S	S	*	*				50.4	102.2	128	-60.7	162.3	144	0	0	118
252	I	29.2	Very low	27.9	Very low	179 Å²	179	152.6 Å²	152.6	92%	0.918	80%	0.803	S	S	*	*				-117.4	115.2	124.4	-61.8	-179.9	0	0	0	106
253	M	26.3	Very low	27.9	Very low	159 Å²	159	152.6 Å²	152.6	78%	0.783	80%	0.803	S	S	*	*			trans	-107.2	140.6	176.3	-65.3	-173	91.4	0	0	110.6
254	S	31.2	Very low	28.2	Very low	104 Å²	104	150.6 Å²	150.6	73%	0.727	80%	0.798	S	S	*	*			trans	-150.8	119.4	141	56.7	0	0	0	0	109.9
255	D	30.3	Very low	28.6	Very low	145 Å²	145	150.1 Å²	150.1	78%	0.775	79%	0.794	S	S	*	*			trans	76.6	115.7	150	-52.7	-26.4	0	0	0	122
256	E	29.8	Very low	29.2	Very low	175 Å²	175	148.5 Å²	148.5	82%	0.818	78%	0.781	S	S	*	*			trans	68.4	77.6	136.5	-59.3	-169.1	160.4	0	0	120.3
257	N	32.5	Very low	29.9	Very low	165 Å²	165	144.4 Å²	144.4	88%	0.882	76%	0.763	S	S	*	*				-159.3	159.6	99.3	-109.2	-74.9	0	0	0	113.5
258	K	25	Very low	30.5	Very low	186 Å²	186	141.9 Å²	141.9	81%	0.809	74%	0.736	S	S	*	*			trans	-101.7	131.8	178.3	-61.8	166.1	-175.8	165.4	0	109.1
259	D	31	Very low	31.2	Very low	140 Å²	140	142.7 Å²	142.7	75%	0.749	73%	0.729	S	S	*	*				-172.6	165.7	105.1	-107	-35.1	0	0	0	114.6	V261	D259-V261 PolarHBondContact O-N 3.16Å
260	Q	26.4	Very low	31.9	Very low	182 Å²	182	139 Å²	139	85%	0.85	71%	0.709	S	S	*	*			trans	-51.2	113.4	-165.5	-56.2	169.9	44.8	0	0	116.4
261	V	27.5	Very low	32.7	Very low	139 Å²	139	135.7 Å²	135.7	84%	0.842	69%	0.688	S	S	*	*			trans	-128.2	101.6	157.9	-176.1	0	0	0	0	109.7	D259	D259-V261 PolarHBondContact O-N 3.16Å
262	K	25.9	Very low	33.5	Very low	186 Å²	186	130 Å²	130	81%	0.809	66%	0.662	S	S	*	*			trans	-82.8	143.5	165.2	-76.1	-177.4	176.9	178.5	0	109.4	V264	K262-V264 PolarHBondContact O-N 2.94Å
263	P	28.1	Very low	34.1	Very low	124 Å²	124	123.2 Å²	123.2	81%	0.805	63%	0.63	S	S	*	*			trans	-63.9	120.6	171.9	27.2	-33.5	0	0	0	109.6	Q265	P263-Q265 PolarHBondContact O-N 3.27Å
264	V	31.8	Very low	35	Very low	122 Å²	122	120.3 Å²	120.3	74%	0.739	62%	0.615	S	S	*	*			trans	-76	110.4	178.4	176.8	0	0	0	0	108.5	K262	K262-V264 PolarHBondContact O-N 2.94Å
265	Q	35.4	Very low	35.7	Very low	161 Å²	161	120.1 Å²	120.1	75%	0.752	60%	0.601	S	S	*	*			trans	-60.6	148.2	166.4	-74.7	-178.6	-99.8	0	0	109.6	P263 F267	P263-Q265 PolarHBondContact O-N 3.27Å; Q265-F267 PolarHBondContact O-N 2.84Å
266	P	40.2	Very low	36.1	Very low	76 Å²	76	115.5 Å²	115.5	49%	0.494	58%	0.576	S	S	.	*			trans	-67.4	96.4	179.7	-16.6	31.1	0	0	0	110.6	Y268 E269	P266-Y268 PolarHBondContact O-N 2.82Å; P266-E269 HydrophobicContact CB-CG 4.21Å; P266-E269 PolarHBondContact O-N 3.38Å
267	F	40.1	Very low	36.7	Very low	118 Å²	118	113.9 Å²	113.9	52%	0.518	57%	0.566	S	S	.	*	H	α-helix	trans	-50.2	-23.8	172.6	178.9	-100.7	0	0	0	112.6	Q265 E270 W271	Q265-F267 PolarHBondContact O-N 2.84Å; F267-E270 PolarHBondContact O-N 3.19Å; F267-W271 HydrophobicContact CE1-CB 4.37Å; F267-W271 WeakPolarHBondContact O-CB 3.32Å; F267-W271 PolarHBondContact O-N 3.3Å
268	Y	38.8	Very low	37.1	Very low	74 Å²	74	113.6 Å²	113.6	29%	0.29	56%	0.56	S	S	.	*	H	α-helix	trans	-63.9	-37.4	173	-163.3	-103.4	0	0	0	114	P266 W271 L272 L356	P266-Y268 PolarHBondContact O-N 2.82Å; Y268-W271 HydrophobicContact CD2-CE3 4.45Å; Y268-W271 HydrophobicContact CE2-CE3 4.05Å; Y268-W271 HydrophobicContact CE2-CZ3 4.03Å; Y268-L272 HydrophobicContact CD1-CD1 3.9Å; Y268-L272 HydrophobicContact CD1-CG 4.39Å; Y268-L272 HydrophobicContact CE1-CD1 3.51Å; Y268-L272 HydrophobicContact CE1-CG 4.02Å; Y268-L272 WeakPolarHBondContact O-CB 3.39Å; Y268-L272 VanDerWaalsContact O-CG 3.25Å; Y268-L272 WeakPolarHBondContact O-CG 3.36Å; Y268-L272 PolarHBondContact O-N 3.08Å; Y268-L356 HydrophobicContact CE1-CD1 4.47Å; Y268-L356 HydrophobicContact CE2-CD1 4.22Å; Y268-L356 WeakPolarHBondContact OH-CD2 3.49Å
269	E	41.6	Very low	37.8	Very low	110 Å²	110	111 Å²	111	51%	0.514	56%	0.555	S	S	.	*	H	α-helix	trans	-70.6	-35.5	173.3	-66.5	-172.2	148.4	0	0	111.3	P266 C273	P266-E269 HydrophobicContact CB-CG 4.21Å; P266-E269 PolarHBondContact O-N 3.38Å; E269-C273 VanDerWaalsContact O-CB 3.27Å; E269-C273 WeakPolarHBondContact O-CB 3.48Å; E269-C273 PolarHBondContact O-N 2.8Å
270	E	41.4	Very low	37.8	Very low	113 Å²	113	107.8 Å²	107.8	53%	0.528	54%	0.537	S	S	.	.	H	α-helix	trans	-69.4	-45.8	178.2	-162	161.8	-136	0	0	111.7	F267 C273 E274	F267-E270 PolarHBondContact O-N 3.19Å; E270-C273 CarbonylContact O-C 3.52Å; E270-C273 WeakPolarHBondContact O-CA 3.31Å; E270-C273 VanDerWaalsContact O-CB 3.29Å; E270-C273 WeakPolarHBondContact O-CB 3.09Å; E270-C273 PolarHBondContact O-N 3.47Å; E270-C273 VanDerWaalsContact O-N 3.09Å; E270-E274 PolarHBondContact O-N 2.97Å
271	W	47.2	Very low	38.2	Very low	51 Å²	51	104.2 Å²	104.2	19%	0.193	53%	0.532	C	S	.	.	H	α-helix	trans	-63.7	-40.8	173.4	177.5	81.9	0	0	0	113	F267 Y268 C273 E274 K275 M334	F267-W271 HydrophobicContact CE1-CB 4.37Å; F267-W271 WeakPolarHBondContact O-CB 3.32Å; F267-W271 PolarHBondContact O-N 3.3Å; Y268-W271 HydrophobicContact CD2-CE3 4.45Å; Y268-W271 HydrophobicContact CE2-CE3 4.05Å; Y268-W271 HydrophobicContact CE2-CZ3 4.03Å; W271-C273 VanDerWaalsContact C-N 3.28Å; W271-C273 PolarHBondContact O-N 2.53Å; W271-E274 PolarHBondContact O-N 3.23Å; W271-K275 HydrophobicContact CH2-CD 3.94Å; W271-K275 HydrophobicContact CZ2-CD 3.93Å; W271-K275 HydrophobicContact CZ3-CD 4.45Å; W271-K275 PolarHBondContact O-N 3.14Å; W271-M334 HydrophobicContact CH2-SD 4.19Å
272	L	43	Very low	38.5	Very low	22 Å²	22	102.9 Å²	102.9	12%	0.115	53%	0.529	C	S	.	.	H	α-helix	trans	-61.3	-39.9	170.3	-78.8	177.2	0	0	0	111	Y268 K275 N276 Y291	Y268-L272 HydrophobicContact CD1-CD1 3.9Å; Y268-L272 HydrophobicContact CD1-CG 4.39Å; Y268-L272 HydrophobicContact CE1-CD1 3.51Å; Y268-L272 HydrophobicContact CE1-CG 4.02Å; Y268-L272 WeakPolarHBondContact O-CB 3.39Å; Y268-L272 VanDerWaalsContact O-CG 3.25Å; Y268-L272 WeakPolarHBondContact O-CG 3.36Å; Y268-L272 PolarHBondContact O-N 3.08Å; L272-K275 PolarHBondContact O-N 2.64Å; L272-N276 WeakPolarHBondContact O-CB 3.29Å; L272-N276 PolarHBondContact O-N 3.03Å; L272-N276 PolarHBondContact O-ND2 2.87Å; L272-N276 VanDerWaalsContact O-ND2 3.16Å; L272-Y291 HydrophobicContact CD2-CE2 4.05Å
273	C	43.7	Very low	38.9	Very low	36 Å²	36	100.8 Å²	100.8	24%	0.243	53%	0.527	C	S	.	.	H	α-helix	trans	-65.5	-37.2	175.8	-164.1	0	0	0	0	111.9	E269 E270 W271 N276 K277	E269-C273 VanDerWaalsContact O-CB 3.27Å; E269-C273 WeakPolarHBondContact O-CB 3.48Å; E269-C273 PolarHBondContact O-N 2.8Å; E270-C273 CarbonylContact O-C 3.52Å; E270-C273 WeakPolarHBondContact O-CA 3.31Å; E270-C273 VanDerWaalsContact O-CB 3.29Å; E270-C273 WeakPolarHBondContact O-CB 3.09Å; E270-C273 PolarHBondContact O-N 3.47Å; E270-C273 VanDerWaalsContact O-N 3.09Å; W271-C273 VanDerWaalsContact C-N 3.28Å; W271-C273 PolarHBondContact O-N 2.53Å; C273-N276 PolarHBondContact O-N 3.22Å; C273-K277 WeakPolarHBondContact O-CB 3.5Å; C273-K277 VanDerWaalsContact O-CG 3.22Å; C273-K277 WeakPolarHBondContact O-CG 3.43Å; C273-K277 PolarHBondContact O-N 3.49Å
274	E	44.8	Very low	39.2	Very low	97 Å²	97	98.2 Å²	98.2	45%	0.453	51%	0.512	S	S	.	.	H	α-helix	trans	-65.7	-46.5	172.3	-70.3	-164.1	129.4	0	0	113.1	E270 W271 N276 K277 Q278	E270-E274 PolarHBondContact O-N 2.97Å; W271-E274 PolarHBondContact O-N 3.23Å; E274-N276 PolarHBondContact O-N 3.34Å; E274-K277 PolarHBondContact O-N 2.88Å; E274-Q278 PolarHBondContact O-N 3.05Å; E274-Q278 VanDerWaalsContact O-N 3.08Å
275	K	44.6	Very low	39.3	Very low	101 Å²	101	98 Å²	98	44%	0.439	51%	0.511	S	S	.	.	H	α-helix	trans	-58.9	-35.5	173.2	-103.4	-167.2	173.7	-174.6	0	112.2	W271 L272 N279	W271-K275 HydrophobicContact CH2-CD 3.94Å; W271-K275 HydrophobicContact CZ2-CD 3.93Å; W271-K275 HydrophobicContact CZ3-CD 4.45Å; W271-K275 PolarHBondContact O-N 3.14Å; L272-K275 PolarHBondContact O-N 2.64Å; K275-N279 PolarHBondContact O-ND2 3.47Å
276	N	39.5	Very low	39	Very low	47 Å²	47	93.9 Å²	93.9	25%	0.251	50%	0.499	S	S	.	.	H	α-helix	trans	-71.2	-43.6	174.9	-70.4	-24.1	0	0	0	112	L272 C273 E274 Q278 N279 L280 C286	L272-N276 WeakPolarHBondContact O-CB 3.29Å; L272-N276 PolarHBondContact O-N 3.03Å; L272-N276 PolarHBondContact O-ND2 2.87Å; L272-N276 VanDerWaalsContact O-ND2 3.16Å; C273-N276 PolarHBondContact O-N 3.22Å; E274-N276 PolarHBondContact O-N 3.34Å; N276-Q278 PolarHBondContact O-N 3.49Å; N276-N279 PolarHBondContact O-N 2.97Å; N276-L280 HydrophobicContact CB-CD1 4.18Å; N276-L280 PolarHBondContact O-N 3.34Å; N276-L280 VanDerWaalsContact O-N 3.14Å; N276-C286 PolarHBondContact ND2-SG 2.92Å; N276-C286 VanDerWaalsContact ND2-SG 3.37Å
277	K	42.2	Very low	38.6	Very low	142 Å²	142	92.8 Å²	92.8	62%	0.617	49%	0.493	S	S	*	.	H	α-helix	trans	-57.6	-30.8	175.1	-75.6	165.7	-174.8	169.8	0	113.1	C273 E274 N279	C273-K277 WeakPolarHBondContact O-CB 3.5Å; C273-K277 VanDerWaalsContact O-CG 3.22Å; C273-K277 WeakPolarHBondContact O-CG 3.43Å; C273-K277 PolarHBondContact O-N 3.49Å; E274-K277 PolarHBondContact O-N 2.88Å; K277-N279 VanDerWaalsContact C-N 3.28Å; K277-N279 PolarHBondContact O-N 2.95Å
278	Q	41.3	Very low	38.3	Very low	159 Å²	159	92.7 Å²	92.7	74%	0.743	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-9.8	176.1	-70.7	-179.8	-4.4	0	0	114.2	E274 N276	E274-Q278 PolarHBondContact O-N 3.05Å; E274-Q278 VanDerWaalsContact O-N 3.08Å; N276-Q278 PolarHBondContact O-N 3.49Å
279	N	38.4	Very low	38.2	Very low	132 Å²	132	93 Å²	93	71%	0.706	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.7	0.6	-172.6	-72.2	-80.8	0	0	0	114.4	K275 N276 K277	K275-N279 PolarHBondContact O-ND2 3.47Å; N276-N279 PolarHBondContact O-N 2.97Å; K277-N279 VanDerWaalsContact C-N 3.28Å; K277-N279 PolarHBondContact O-N 2.95Å
280	L	32.9	Very low	37.7	Very low	71 Å²	71	90.1 Å²	90.1	37%	0.372	50%	0.498	S	S	.	.	S	Bend	trans	-134.8	141.4	-174.1	-77.1	154.7	0	0	0	111.5	N276 L294	N276-L280 HydrophobicContact CB-CD1 4.18Å; N276-L280 PolarHBondContact O-N 3.34Å; N276-L280 VanDerWaalsContact O-N 3.14Å; L280-L294 HydrophobicContact CD1-CD1 4.34Å
281	S	34.1	Very low	37.1	Very low	107 Å²	107	91.9 Å²	91.9	75%	0.748	50%	0.501	S	S	*	.			trans	-69.7	168.2	166.7	48.8	0	0	0	0	111.7	D283	S281-D283 VanDerWaalsContact C-N 3.27Å; S281-D283 PolarHBondContact O-N 2.85Å
282	S	33.5	Very low	36.5	Very low	112 Å²	112	100.6 Å²	100.6	78%	0.783	53%	0.534	S	S	*	.	S	Bend	trans	-61.1	-8.5	-152.6	38.3	0	0	0	0	119.3
283	D	33.4	Very low	36.1	Very low	142 Å²	142	107.8 Å²	107.8	76%	0.759	56%	0.564	S	S	*	*			trans	-125	37	-154.5	-68.9	-82.5	0	0	0	115.1	S281	S281-D283 VanDerWaalsContact C-N 3.27Å; S281-D283 PolarHBondContact O-N 2.85Å
284	S	36	Very low	35.4	Very low	69 Å²	69	111.3 Å²	111.3	48%	0.483	58%	0.58	S	S	.	*			trans	-133.2	125.7	173	64.2	0	0	0	0	114.5
285	T	33.6	Very low	34.8	Very low	118 Å²	118	111.3 Å²	111.3	72%	0.724	59%	0.59	S	S	*	*			trans	-76	129	178.8	45.9	0	0	0	0	111.3	S287	T285-S287 PolarHBondContact O-N 2.85Å
286	C	28	Very low	34.1	Very low	74 Å²	74	110.6 Å²	110.6	50%	0.5	61%	0.612	S	S	.	*			trans	-76.1	115.5	-171.8	-169.6	0	0	0	0	111.7	N276	N276-C286 PolarHBondContact ND2-SG 2.92Å; N276-C286 VanDerWaalsContact ND2-SG 3.37Å
287	S	33.2	Very low	33.6	Very low	53 Å²	53	116.1 Å²	116.1	37%	0.371	64%	0.636	S	S	.	*			trans	-135.7	140.9	171.7	60.6	0	0	0	0	110.7	T285 S289 N290	T285-S287 PolarHBondContact O-N 2.85Å; S287-S289 PolarHBondContact O-N 2.75Å; S287-S289 PolarHBondContact OG-OG 3.31Å; S287-N290 WeakPolarHBondContact O-CB 3.47Å; S287-N290 PolarHBondContact O-N 3.06Å
288	I	33.5	Very low	32.9	Very low	116 Å²	116	117.2 Å²	117.2	60%	0.595	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-58.9	-22.4	-173.7	-68.9	171.5	0	0	0	112.7	N290 Y291	I288-N290 PolarHBondContact O-N 3.1Å; I288-Y291 PolarHBondContact O-N 2.92Å
289	S	35.4	Very low	32.1	Very low	80 Å²	80	120.6 Å²	120.6	56%	0.559	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-54.3	-30.5	169.9	21.3	0	0	0	0	114.7	S287 Y291 R292	S287-S289 PolarHBondContact O-N 2.75Å; S287-S289 PolarHBondContact OG-OG 3.31Å; S289-Y291 VanDerWaalsContact C-N 3.3Å; S289-Y291 PolarHBondContact O-N 3.41Å; S289-R292 PolarHBondContact O-N 3.07Å
290	N	32.1	Very low	31.7	Very low	51 Å²	51	126.4 Å²	126.4	27%	0.273	66%	0.661	S	S	.	*	G	3₁₀ helix	trans	-73.9	-18.7	-174.7	-71.1	-15.3	0	0	0	113.6	S287 I288 R292 K293 L294	S287-N290 WeakPolarHBondContact O-CB 3.47Å; S287-N290 PolarHBondContact O-N 3.06Å; I288-N290 PolarHBondContact O-N 3.1Å; N290-R292 PolarHBondContact O-N 3.04Å; N290-K293 PolarHBondContact O-N 3.47Å; N290-L294 HydrophobicContact CB-CD1 4.44Å; N290-L294 PolarHBondContact O-N 2.85Å
291	Y	29	Very low	31.9	Very low	149 Å²	149	127.9 Å²	127.9	58%	0.584	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-62.1	-16.2	174.8	-130.6	-89.7	0	0	0	113.2	L272 I288 S289	L272-Y291 HydrophobicContact CD2-CE2 4.05Å; I288-Y291 PolarHBondContact O-N 2.92Å; S289-Y291 VanDerWaalsContact C-N 3.3Å; S289-Y291 PolarHBondContact O-N 3.41Å
292	R	33.8	Very low	32.5	Very low	235 Å²	235	129.3 Å²	129.3	89%	0.887	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-89.5	-4.9	173.1	-69.6	-176.3	175.9	171.9	0.1	114.5	S289 N290	S289-R292 PolarHBondContact O-N 3.07Å; N290-R292 PolarHBondContact O-N 3.04Å
293	K	34.8	Very low	33.5	Very low	172 Å²	172	127.5 Å²	127.5	75%	0.748	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.2	-28.5	179.9	-70.9	-176.4	175.9	179.7	0	113.4	N290 S295	N290-K293 PolarHBondContact O-N 3.47Å; K293-S295 PolarHBondContact O-N 3.07Å
294	L	28.5	Very low	35.2	Very low	111 Å²	111	125 Å²	125	58%	0.581	64%	0.64	S	S	*	*	S	Bend	trans	-96.4	58	-171.8	-66.8	170	0	0	0	113.5	L280 N290	L280-L294 HydrophobicContact CD1-CD1 4.34Å; N290-L294 HydrophobicContact CB-CD1 4.44Å; N290-L294 PolarHBondContact O-N 2.85Å
295	S	33.3	Very low	37.1	Very low	96 Å²	96	122 Å²	122	67%	0.671	62%	0.619	S	S	*	*			trans	-150.2	88.5	161.6	54.7	0	0	0	0	109.9	K293 E297	K293-S295 PolarHBondContact O-N 3.07Å; S295-E297 PolarHBondContact O-N 2.96Å
296	G	29.7	Very low	39.6	Very low	87 Å²	87	116.4 Å²	116.4	90%	0.897	59%	0.585	S	S	*	*			trans	-69.4	-18.3	-177.2	0	0	0	0	0	114.2
297	E	28.6	Very low	42.3	Very low	163 Å²	163	114.7 Å²	114.7	76%	0.762	57%	0.571	S	S	*	*	S	Bend	trans	-124.3	134.6	-168.3	-68.2	-169.9	104.4	0	0	113.4	S295	S295-E297 PolarHBondContact O-N 2.96Å
298	Q	27.3	Very low	44.8	Very low	165 Å²	165	112.2 Å²	112.2	77%	0.771	55%	0.554	S	S	*	*	S	Bend	trans	58	120	155.1	-55.6	-171.1	33.9	0	0	119.9
299	R	26	Very low	47.4	Very low	229 Å²	229	110.8 Å²	110.8	86%	0.864	54%	0.544	S	S	*	.			trans	55.4	95.4	160.2	-62	-178.7	177.8	-179.8	-0.3	116.4	V301	R299-V301 VanDerWaalsContact C-N 3.3Å; R299-V301 PolarHBondContact O-N 3.13Å
300	R	30.1	Very low	49.9	Very low	254 Å²	254	111.2 Å²	111.2	96%	0.958	54%	0.538	S	S	*	.			trans	-62.9	90.7	155.3	-76.1	-175.1	177.1	173.5	-0.2	110.2	L302	R300-L302 PolarHBondContact O-N 2.99Å
301	V	36.8	Very low	52.5	Low	102 Å²	102	112.7 Å²	112.7	62%	0.618	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-61.9	129.8	163.8	-175.1	0	0	0	0	107.6	R299 F304	R299-V301 VanDerWaalsContact C-N 3.3Å; R299-V301 PolarHBondContact O-N 3.13Å; V301-F304 HydrophobicContact CG1-CD2 4.35Å; V301-F304 HydrophobicContact CG1-CE2 3.54Å; V301-F304 HydrophobicContact CG1-CZ 4Å
302	L	46.2	Very low	55.4	Low	138 Å²	138	105.9 Å²	105.9	72%	0.723	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-64.2	133.3	172.4	-78.2	162.5	0	0	0	108.4	R300 F304	R300-L302 PolarHBondContact O-N 2.99Å; L302-F304 PolarHBondContact O-N 3.24Å; L302-F304 VanDerWaalsContact O-N 3.15Å
303	P	54.4	Low	57.8	Low	74 Å²	74	98.6 Å²	98.6	48%	0.481	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-64.1	120.6	179.6	28.1	-34.4	0	0	0	108.9	L329	P303-L329 HydrophobicContact CB-CD1 3.79Å; P303-L329 HydrophobicContact CB-CG 4.14Å; P303-L329 HydrophobicContact CG-CD1 4.01Å
304	F	69.9	Low	60.2	Low	89 Å²	89	94.2 Å²	94.2	39%	0.39	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-71.3	133.9	-174.2	-68	-82.8	0	0	0	110.6	V301 L302 I330 I382	V301-F304 HydrophobicContact CG1-CD2 4.35Å; V301-F304 HydrophobicContact CG1-CE2 3.54Å; V301-F304 HydrophobicContact CG1-CZ 4Å; L302-F304 PolarHBondContact O-N 3.24Å; L302-F304 VanDerWaalsContact O-N 3.15Å; F304-I330 HydrophobicContact CB-CB 4.34Å; F304-I330 HydrophobicContact CB-CD1 4.02Å; F304-I330 HydrophobicContact CB-CG1 4.47Å; F304-I330 WeakPolarHBondContact O-CB 3.32Å; F304-I330 PolarHBondContact O-N 3.13Å; F304-I382 HydrophobicContact CB-CG2 4.18Å; F304-I382 HydrophobicContact CD1-CG2 3.79Å; F304-I382 HydrophobicContact CG-CG2 4.28Å
305	V	75.9	Confident	62.6	Low	7 Å²	7	95.7 Å²	95.7	4%	0.042	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	131.3	167.5	179.3	0	0	0	0	109.2	L328 L329 I360 I383 T389	V305-L328 WeakPolarHBondContact CA-O 3.2Å; V305-L329 HydrophobicContact CG2-CD1 4.31Å; V305-I360 HydrophobicContact CB-CD1 4.4Å; V305-I360 HydrophobicContact CG1-CD1 3.82Å; V305-I360 HydrophobicContact CG2-CD1 3.81Å; V305-I383 HydrophobicContact CG1-CD1 4.35Å; V305-I383 PolarHBondContact O-N 2.77Å; V305-T389 VanDerWaalsContact CG2-O 3.25Å; V305-T389 WeakPolarHBondContact CG2-O 3.35Å
306	A	85	Confident	64.6	Low	0 Å²	0	95.3 Å²	95.3	0%	0	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	156.5	169.8	0	0	0	0	0	111.4	R327 L328 I330 L380 Q381	A306-R327 WeakPolarHBondContact O-CA 2.92Å; A306-L328 PolarHBondContact N-O 3.29Å; A306-L328 PolarHBondContact O-N 3.37Å; A306-I330 HydrophobicContact CB-CD1 4.07Å; A306-I330 HydrophobicContact CB-CG1 4.12Å; A306-L380 HydrophobicContact CB-CB 4.22Å; A306-Q381 CarbonylContact C-O 3.58Å; A306-Q381 WeakPolarHBondContact CA-O 3.39Å; A306-Q381 WeakPolarHBondContact CB-O 3.25Å
307	V	84.9	Confident	66.4	Low	37 Å²	37	96.4 Å²	96.4	22%	0.224	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	143.4	162	154.3	0	0	0	0	109.5	E326 R327 L380 Q381 I383	V307-E326 WeakPolarHBondContact CA-O 3.44Å; V307-R327 HydrophobicContact CG2-CG 3.58Å; V307-L380 CarbonylContact O-C 3.56Å; V307-Q381 PolarHBondContact N-O 2.77Å; V307-Q381 PolarHBondContact O-N 2.91Å; V307-I383 HydrophobicContact CB-CD1 4.48Å; V307-I383 HydrophobicContact CG2-CD1 3.83Å; V307-I383 HydrophobicContact CG2-CG1 4.47Å
308	A	86.9	Confident	68.5	Low	1 Å²	1	91.8 Å²	91.8	1%	0.008	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	119.7	167.7	0	0	0	0	0	111	M310 V322 S323 G325 E326 L380	A308-M310 VanDerWaalsContact C-N 3.26Å; A308-M310 PolarHBondContact O-N 2.87Å; A308-V322 HydrophobicContact CB-CG1 3.43Å; A308-V322 VanDerWaalsContact CB-CG1 3.43Å; A308-S323 VanDerWaalsContact CB-O 3.24Å; A308-S323 WeakPolarHBondContact CB-O 3.02Å; A308-G325 PolarHBondContact O-N 3Å; A308-E326 HydrophobicContact CB-CB 4.49Å; A308-E326 PolarHBondContact N-O 3.49Å; A308-L380 HydrophobicContact CB-CD2 4.37Å
309	K	87.7	Confident	71.1	Confident	86 Å²	86	84.1 Å²	84.1	37%	0.374	41%	0.409	S	S	.	.	S	Bend	trans	-75.6	-14.8	178.1	-66.6	170.8	-66.1	-153.3	0	113.7	K378 Y379 L380 Q381	K309-K378 WeakPolarHBondContact CE-O 3.34Å; K309-K378 PolarHBondContact NZ-O 3.07Å; K309-Y379 PolarHBondContact N-O 3.32Å; K309-L380 WeakPolarHBondContact CE-O 3.27Å; K309-L380 PolarHBondContact NZ-O 3.05Å; K309-Q381 HydrophobicContact CD-CB 3.86Å; K309-Q381 HydrophobicContact CG-CB 3.74Å
310	M	86.4	Confident	73.9	Confident	90 Å²	90	73.3 Å²	73.3	44%	0.443	37%	0.368	S	S	.	.	S	Bend	trans	-164.5	154.7	-180	65.7	-166.8	66.4	0	0	108.3	A308 Y379	A308-M310 VanDerWaalsContact C-N 3.26Å; A308-M310 PolarHBondContact O-N 2.87Å; M310-Y379 HydrophobicContact CG-CD1 3.36Å; M310-Y379 HydrophobicContact CG-CE1 3.67Å; M310-Y379 HydrophobicContact CG-CG 4.4Å; M310-Y379 HydrophobicContact SD-CD1 3.9Å; M310-Y379 HydrophobicContact SD-CE1 3.78Å
311	T	87.8	Confident	76.6	Confident	81 Å²	81	64.2 Å²	64.2	50%	0.497	34%	0.339	S	S	.	.			trans	-62.2	137.2	177.1	-62.9	0	0	0	0	111.8	V322 E324	T311-V322 CarbonylContact C-O 3.51Å; T311-V322 WeakPolarHBondContact CA-O 3.21Å; T311-E324 PolarHBondContact OG1-N 2.91Å
312	Y	88.7	Confident	78.9	Confident	7 Å²	7	59.6 Å²	59.6	3%	0.027	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-123.2	125.9	174.4	179.4	-115.9	0	0	0	110.8	E319 L320 N321 V322 V375 P376 Y379	Y312-E319 HydrophobicContact CE1-CB 4.29Å; Y312-E319 PolarHBondContact OH-OE1 2.68Å; Y312-E319 PolarHBondContact OH-OE2 2.65Å; Y312-E319 VanDerWaalsContact OH-OE2 3.1Å; Y312-L320 VanDerWaalsContact CD1-O 3.29Å; Y312-L320 WeakPolarHBondContact CD1-O 3.4Å; Y312-N321 WeakPolarHBondContact O-CA 3.37Å; Y312-V322 PolarHBondContact N-O 3.01Å; Y312-V322 PolarHBondContact O-N 2.9Å; Y312-V375 HydrophobicContact CD1-CG1 4.07Å; Y312-P376 HydrophobicContact CD2-CG 4.37Å; Y312-P376 VanDerWaalsContact CE1-CD 3.43Å; Y312-P376 HydrophobicContact CE1-CG 4.25Å; Y312-P376 HydrophobicContact CE2-CG 3.7Å; Y312-Y379 HydrophobicContact CD2-CD1 4.07Å; Y312-Y379 AromaticContact CD2-CD2 3.9Å; Y312-Y379 HydrophobicContact CD2-CD2 3.9Å; Y312-Y379 AromaticContact CD2-CE1 3.77Å; Y312-Y379 HydrophobicContact CD2-CE1 3.77Å; Y312-Y379 AromaticContact CD2-CE2 3.57Å; Y312-Y379 HydrophobicContact CD2-CE2 3.57Å; Y312-Y379 HydrophobicContact CD2-CG 4.16Å; Y312-Y379 AromaticContact CD2-CZ 3.52Å; Y312-Y379 HydrophobicContact CE2-CD2 4.44Å; Y312-Y379 AromaticContact CE2-CE2 3.96Å; Y312-Y379 HydrophobicContact CE2-CE2 3.96Å; Y312-Y379 HydrophobicContact CG-CD1 4.19Å; Y312-Y379 HydrophobicContact CG-CD2 4.32Å; Y312-Y379 HydrophobicContact CG-CE1 4.29Å; Y312-Y379 HydrophobicContact CG-CE2 4.41Å; Y312-Y379 HydrophobicContact CG-CG 4.23Å
313	S	85.1	Confident	80.7	Confident	81 Å²	81	56.3 Å²	56.3	57%	0.566	30%	0.299	S	S	*	.			trans	-99.2	129.9	172.2	-53.1	0	0	0	0	110	N321	S313-N321 WeakPolarHBondContact CA-OD1 3.06Å
314	Q	84.8	Confident	82.2	Confident	81 Å²	81	59 Å²	59	38%	0.379	31%	0.306	S	S	.	.			trans	-61	134.6	177.5	73.8	-165.7	32.4	0	0	110.9	E319 N321	Q314-E319 HydrophobicContact CB-CB 3.86Å; Q314-E319 PolarHBondContact OE1-O 2.8Å; Q314-N321 VanDerWaalsContact CD-ND2 3.35Å; Q314-N321 WeakPolarHBondContact CG-OD1 3.24Å; Q314-N321 PolarHBondContact N-OD1 2.93Å; Q314-N321 PolarHBondContact OE1-ND2 3.3Å; Q314-N321 VanDerWaalsContact OE1-ND2 3.16Å
315	K	79.2	Confident	82.4	Confident	142 Å²	142	57 Å²	57	62%	0.617	31%	0.31	S	S	*	.	S	Bend	trans	-100.2	-25.2	173.8	-57.7	175.2	-177.3	175	0	111.5	E319	K315-E319 WeakPolarHBondContact CA-OE2 3.22Å; K315-E319 WeakPolarHBondContact CB-OE2 3.46Å; K315-E319 PolarHBondContact N-OE2 3.32Å
316	Y	74.4	Confident	82.8	Confident	88 Å²	88	58.1 Å²	58.1	35%	0.345	32%	0.315	S	S	.	.	S	Bend	trans	-130.6	154.2	-179	-58.6	-87.3	0	0	0	111.9	H318 E319	Y316-H318 PolarHBondContact O-N 2.89Å; Y316-E319 WeakPolarHBondContact CD2-OE1 3.39Å; Y316-E319 PolarHBondContact N-OE2 2.84Å; Y316-E319 WeakPolarHBondContact O-CB 3.25Å; Y316-E319 PolarHBondContact O-N 3.02Å
317	P	68.9	Low	82.6	Confident	109 Å²	109	60.6 Å²	60.6	71%	0.708	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-11	-175.8	-24.9	35.2	0	0	0	116.6
318	H	72.1	Confident	82.6	Confident	67 Å²	67	58.8 Å²	58.8	31%	0.31	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-6.5	175.7	53.7	-110.3	0	0	0	113.4	Y316 L374	Y316-H318 PolarHBondContact O-N 2.89Å; H318-L374 PolarHBondContact O-N 3.02Å
319	E	83	Confident	82.4	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.019	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-89.6	160.4	175.1	-68.3	167.7	167.8	0	0	110.7	Y312 Q314 K315 Y316 F354 L374	Y312-E319 HydrophobicContact CE1-CB 4.29Å; Y312-E319 PolarHBondContact OH-OE1 2.68Å; Y312-E319 PolarHBondContact OH-OE2 2.65Å; Y312-E319 VanDerWaalsContact OH-OE2 3.1Å; Q314-E319 HydrophobicContact CB-CB 3.86Å; Q314-E319 PolarHBondContact OE1-O 2.8Å; K315-E319 WeakPolarHBondContact CA-OE2 3.22Å; K315-E319 WeakPolarHBondContact CB-OE2 3.46Å; K315-E319 PolarHBondContact N-OE2 3.32Å; Y316-E319 WeakPolarHBondContact CD2-OE1 3.39Å; Y316-E319 PolarHBondContact N-OE2 2.84Å; Y316-E319 WeakPolarHBondContact O-CB 3.25Å; Y316-E319 PolarHBondContact O-N 3.02Å; E319-F354 HydrophobicContact CG-CE1 4.21Å; E319-F354 WeakPolarHBondContact OE1-CE1 3.4Å; E319-L374 CarbonylContact C-O 3.5Å; E319-L374 WeakPolarHBondContact CA-O 3.49Å; E319-L374 WeakPolarHBondContact CB-O 3.38Å; E319-L374 HydrophobicContact CG-CB 4.4Å
320	L	83.8	Confident	82.2	Confident	1 Å²	1	56 Å²	56	1%	0.005	30%	0.302	C	S	.	.			trans	-111	130.5	-179.2	-178.7	60.2	0	0	0	111.2	Y312 V322 L328 V357 R359 S370 L374 V375	Y312-L320 VanDerWaalsContact CD1-O 3.29Å; Y312-L320 WeakPolarHBondContact CD1-O 3.4Å; L320-V322 HydrophobicContact CB-CG2 4.32Å; L320-V322 HydrophobicContact CD2-CG2 4.06Å; L320-V322 HydrophobicContact CG-CG2 3.89Å; L320-L328 HydrophobicContact CD2-CD2 4.13Å; L320-V357 HydrophobicContact CD2-CG2 3.77Å; L320-R359 HydrophobicContact CD2-CG 4.24Å; L320-S370 WeakPolarHBondContact CD1-O 3.44Å; L320-L374 PolarHBondContact N-O 2.95Å; L320-V375 HydrophobicContact CB-CG2 3.9Å
321	N	86.3	Confident	81.9	Confident	64 Å²	64	55.1 Å²	55.1	34%	0.342	30%	0.299	S	S	.	.			trans	-65.6	128.7	162.5	-74.9	-37.9	0	0	0	110.6	Y312 S313 Q314 R359	Y312-N321 WeakPolarHBondContact O-CA 3.37Å; S313-N321 WeakPolarHBondContact CA-OD1 3.06Å; Q314-N321 VanDerWaalsContact CD-ND2 3.35Å; Q314-N321 WeakPolarHBondContact CG-OD1 3.24Å; Q314-N321 PolarHBondContact N-OD1 2.93Å; Q314-N321 PolarHBondContact OE1-ND2 3.3Å; Q314-N321 VanDerWaalsContact OE1-ND2 3.16Å; N321-R359 PolarHBondContact O-NH2 2.81Å
322	V	86	Confident	81.5	Confident	5 Å²	5	54.5 Å²	54.5	3%	0.03	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-138.8	131.8	-176	-179.7	0	0	0	0	110.1	A308 T311 Y312 L320 E326 L328 V375	A308-V322 HydrophobicContact CB-CG1 3.43Å; A308-V322 VanDerWaalsContact CB-CG1 3.43Å; T311-V322 CarbonylContact C-O 3.51Å; T311-V322 WeakPolarHBondContact CA-O 3.21Å; Y312-V322 PolarHBondContact N-O 3.01Å; Y312-V322 PolarHBondContact O-N 2.9Å; L320-V322 HydrophobicContact CB-CG2 4.32Å; L320-V322 HydrophobicContact CD2-CG2 4.06Å; L320-V322 HydrophobicContact CG-CG2 3.89Å; V322-E326 HydrophobicContact CG1-CB 3.93Å; V322-E326 HydrophobicContact CG1-CG 4.38Å; V322-L328 HydrophobicContact CB-CD1 4.47Å; V322-L328 HydrophobicContact CG1-CD1 3.67Å; V322-L328 HydrophobicContact CG2-CD1 3.86Å; V322-V375 HydrophobicContact CG2-CG2 3.67Å
323	S	83.9	Confident	81	Confident	68 Å²	68	59 Å²	59	48%	0.476	31%	0.309	S	S	.	.			trans	-87.4	152.7	174.8	-63.6	0	0	0	0	112.4	A308 G325 E326	A308-S323 VanDerWaalsContact CB-O 3.24Å; A308-S323 WeakPolarHBondContact CB-O 3.02Å; S323-G325 PolarHBondContact O-N 3.11Å; S323-E326 PolarHBondContact N-OE2 2.91Å; S323-E326 VanDerWaalsContact N-OE2 3.07Å; S323-E326 WeakPolarHBondContact O-CB 3.24Å; S323-E326 PolarHBondContact O-N 3.18Å; S323-E326 VanDerWaalsContact O-N 3.1Å
324	E	85.7	Confident	80	Confident	131 Å²	131	56.5 Å²	56.5	61%	0.612	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	138.3	167.7	-169.8	169.1	150.4	0	0	111.7	T311 E326	T311-E324 PolarHBondContact OG1-N 2.91Å; E324-E326 PolarHBondContact O-N 2.91Å
325	G	75	Confident	78.5	Confident	47 Å²	47	56.9 Å²	56.9	49%	0.485	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	80	-10.9	-174.4	0	0	0	0	0	115.4	A308 S323 R327	A308-G325 PolarHBondContact O-N 3Å; S323-G325 PolarHBondContact O-N 3.11Å; G325-R327 PolarHBondContact O-N 3.48Å
326	E	83.4	Confident	77.1	Confident	31 Å²	31	52.3 Å²	52.3	15%	0.145	29%	0.285	C	S	.	.			trans	-64.9	131.6	-176.2	-169	-178.5	125.5	0	0	112.4	V307 A308 V322 S323 E324 R359	V307-E326 WeakPolarHBondContact CA-O 3.44Å; A308-E326 HydrophobicContact CB-CB 4.49Å; A308-E326 PolarHBondContact N-O 3.49Å; V322-E326 HydrophobicContact CG1-CB 3.93Å; V322-E326 HydrophobicContact CG1-CG 4.38Å; S323-E326 PolarHBondContact N-OE2 2.91Å; S323-E326 VanDerWaalsContact N-OE2 3.07Å; S323-E326 WeakPolarHBondContact O-CB 3.24Å; S323-E326 PolarHBondContact O-N 3.18Å; S323-E326 VanDerWaalsContact O-N 3.1Å; E324-E326 PolarHBondContact O-N 2.91Å; E326-R359 VanDerWaalsContact CD-CZ 3.48Å; E326-R359 IonicContact OE1-CZ 3.06Å; E326-R359 IonicContact OE1-NE 3.31Å; E326-R359 IonicContact OE1-NH1 2.92Å; E326-R359 PolarHBondContact OE1-NH1 2.98Å; E326-R359 IonicContact OE1-NH2 3.93Å; E326-R359 PolarHBondContact OE1-NH2 2.87Å; E326-R359 IonicContact OE2-CZ 3.25Å; E326-R359 IonicContact OE2-NH1 2.75Å; E326-R359 PolarHBondContact OE2-NH1 2.9Å; E326-R359 IonicContact OE2-NH2 2.64Å; E326-R359 PolarHBondContact OE2-NH2 2.79Å
327	R	81.4	Confident	75.6	Confident	51 Å²	51	49.5 Å²	49.5	19%	0.192	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	123.8	179.6	-74.5	175.8	73.7	-120.6	11.4	111.6	A306 V307 G325 I360 T388 H390 W393	A306-R327 WeakPolarHBondContact O-CA 2.92Å; V307-R327 HydrophobicContact CG2-CG 3.58Å; G325-R327 PolarHBondContact O-N 3.48Å; R327-I360 HydrophobicContact CB-CD1 4.49Å; R327-I360 PolarHBondContact O-N 3.49Å; R327-T388 PolarHBondContact NH2-O 2.91Å; R327-H390 PolarHBondContact NH2-O 3.08Å; R327-W393 PolarHBondContact NH1-O 3.46Å
328	L	84.7	Confident	74.4	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	139.4	-172.5	-71.2	168.5	0	0	0	111.2	V305 A306 L320 V322 V357 R359 L380	V305-L328 WeakPolarHBondContact CA-O 3.2Å; A306-L328 PolarHBondContact N-O 3.29Å; A306-L328 PolarHBondContact O-N 3.37Å; L320-L328 HydrophobicContact CD2-CD2 4.13Å; V322-L328 HydrophobicContact CB-CD1 4.47Å; V322-L328 HydrophobicContact CG1-CD1 3.67Å; V322-L328 HydrophobicContact CG2-CD1 3.86Å; L328-V357 HydrophobicContact CB-CB 4.16Å; L328-V357 HydrophobicContact CB-CG1 4.19Å; L328-V357 HydrophobicContact CD1-CB 4.39Å; L328-V357 HydrophobicContact CD1-CG1 4.42Å; L328-V357 HydrophobicContact CD1-CG2 4.2Å; L328-V357 HydrophobicContact CD2-CB 4.25Å; L328-V357 HydrophobicContact CD2-CG2 4.21Å; L328-R359 HydrophobicContact CD2-CG 4.09Å; L328-L380 HydrophobicContact CD1-CD2 3.65Å
329	L	82.7	Confident	73	Confident	21 Å²	21	53.8 Å²	53.8	11%	0.11	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	116.1	173.3	-167.6	71.3	0	0	0	108.7	P303 V305 L331 V357 E358 I360 I391	P303-L329 HydrophobicContact CB-CD1 3.79Å; P303-L329 HydrophobicContact CB-CG 4.14Å; P303-L329 HydrophobicContact CG-CD1 4.01Å; V305-L329 HydrophobicContact CG2-CD1 4.31Å; L329-L331 HydrophobicContact CD2-CD2 4.08Å; L329-L331 HydrophobicContact CG-CD2 4.42Å; L329-L331 PolarHBondContact O-N 2.61Å; L329-V357 CarbonylContact O-C 3.57Å; L329-V357 VanDerWaalsContact O-CA 3.26Å; L329-V357 WeakPolarHBondContact O-CA 3.48Å; L329-E358 HydrophobicContact CB-CB 4.34Å; L329-E358 PolarHBondContact N-O 2.75Å; L329-E358 PolarHBondContact O-N 3.41Å; L329-I360 HydrophobicContact CB-CD1 4.09Å; L329-I360 HydrophobicContact CB-CG1 3.91Å; L329-I360 HydrophobicContact CD1-CD1 4.44Å; L329-I391 HydrophobicContact CD1-CD1 4.34Å; L329-I391 HydrophobicContact CD2-CD1 4.35Å
330	I	83.6	Confident	71.2	Confident	8 Å²	8	56.1 Å²	56.1	4%	0.041	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	119.3	172.6	-57.5	176.7	0	0	0	108.2	F304 A306 R333 W355 I382	F304-I330 HydrophobicContact CB-CB 4.34Å; F304-I330 HydrophobicContact CB-CD1 4.02Å; F304-I330 HydrophobicContact CB-CG1 4.47Å; F304-I330 WeakPolarHBondContact O-CB 3.32Å; F304-I330 PolarHBondContact O-N 3.13Å; A306-I330 HydrophobicContact CB-CD1 4.07Å; A306-I330 HydrophobicContact CB-CG1 4.12Å; I330-R333 HydrophobicContact CG2-CG 3.85Å; I330-W355 HydrophobicContact CD1-CD2 4.39Å; I330-W355 HydrophobicContact CD1-CE3 3.43Å; I330-W355 VanDerWaalsContact CD1-CE3 3.43Å; I330-W355 HydrophobicContact CD1-CZ3 3.53Å; I330-W355 HydrophobicContact CG1-CE3 4.07Å; I330-I382 HydrophobicContact CD1-CG1 3.76Å
331	L	79.7	Confident	69.2	Low	70 Å²	70	60.3 Å²	60.3	37%	0.366	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-39.9	173.6	-60.3	-176.2	0	0	0	111.7	L329 L356 E358 K372	L329-L331 HydrophobicContact CD2-CD2 4.08Å; L329-L331 HydrophobicContact CG-CD2 4.42Å; L329-L331 PolarHBondContact O-N 2.61Å; L331-L356 HydrophobicContact CB-CB 4.43Å; L331-L356 HydrophobicContact CB-CD2 3.76Å; L331-L356 HydrophobicContact CB-CG 3.99Å; L331-L356 HydrophobicContact CD1-CD2 4.11Å; L331-L356 HydrophobicContact CD1-CG 4.2Å; L331-L356 PolarHBondContact N-O 3.01Å; L331-E358 HydrophobicContact CD1-CB 4Å; L331-E358 HydrophobicContact CD2-CB 4.33Å; L331-E358 HydrophobicContact CG-CB 4.16Å; L331-K372 HydrophobicContact CD1-CD 3.92Å; L331-K372 HydrophobicContact CD1-CG 4.29Å
332	D	79.5	Confident	67.1	Low	68 Å²	68	66.2 Å²	66.2	36%	0.364	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	160.9	178.7	-159.3	-0.8	0	0	0	111.1	W355 L356	D332-W355 WeakPolarHBondContact O-CA 3.15Å; D332-L356 HydrophobicContact CB-CB 4.01Å; D332-L356 HydrophobicContact CB-CD2 4.19Å; D332-L356 PolarHBondContact N-O 3.21Å; D332-L356 PolarHBondContact O-N 2.83Å
333	R	78.5	Confident	65.1	Low	101 Å²	101	69.7 Å²	69.7	38%	0.381	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	104.8	174.1	-58.4	-173.8	-164.1	158.3	8.4	109.1	I330 W355 I382	I330-R333 HydrophobicContact CG2-CG 3.85Å; R333-W355 HydrophobicContact CB-CG 4.31Å; R333-W355 HydrophobicContact CG-CD2 4.09Å; R333-W355 HydrophobicContact CG-CG 3.91Å; R333-I382 VanDerWaalsContact CZ-CD1 3.5Å; R333-I382 VanDerWaalsContact NH2-CD1 3.28Å
334	M	64.5	Low	63.1	Low	29 Å²	29	69.3 Å²	69.3	14%	0.143	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	116.1	-179.5	-65.2	-172.5	-68.5	0	0	110.7	W271 T336 P337 F354 L374	W271-M334 HydrophobicContact CH2-SD 4.19Å; M334-T336 PolarHBondContact O-N 3.3Å; M334-P337 HydrophobicContact CB-CG 4.4Å; M334-P337 HydrophobicContact CE-CG 4.14Å; M334-P337 HydrophobicContact SD-CG 4.44Å; M334-F354 PolarHBondContact N-O 3.03Å; M334-F354 PolarHBondContact O-N 3.46Å; M334-F354 VanDerWaalsContact O-N 3.08Å; M334-F354 VanDerWaalsContact O-O 3.06Å; M334-L374 HydrophobicContact CE-CD1 4.06Å; M334-L374 HydrophobicContact CE-CD2 3.46Å; M334-L374 VanDerWaalsContact CE-CD2 3.46Å; M334-L374 HydrophobicContact CE-CG 4.44Å
335	S	51.6	Low	60.7	Low	90 Å²	90	67.5 Å²	67.5	63%	0.629	38%	0.382	S	S	*	.	S	Bend	trans	-64.2	125.4	153.8	42.2	0	0	0	0	108.6	D353	S335-D353 WeakPolarHBondContact CA-OD1 3.32Å
336	T	49.5	Very low	58.8	Low	45 Å²	45	71 Å²	71	28%	0.276	40%	0.399	S	S	.	.			trans	20.3	99.9	175.4	45.5	0	0	0	0	117.3	M334 L338 T350	M334-T336 PolarHBondContact O-N 3.3Å; T336-L338 PolarHBondContact O-N 3.48Å; T336-T350 WeakPolarHBondContact CG2-O 3.26Å
337	P	44.2	Very low	56.7	Low	30 Å²	30	74.4 Å²	74.4	20%	0.195	43%	0.426	C	S	.	.			trans	-62.3	92.8	174.5	-24.1	35.4	0	0	0	112.9	M334 N339 I340	M334-P337 HydrophobicContact CB-CG 4.4Å; M334-P337 HydrophobicContact CE-CG 4.14Å; M334-P337 HydrophobicContact SD-CG 4.44Å; P337-N339 PolarHBondContact O-N 3.36Å; P337-I340 HydrophobicContact CB-CB 4.22Å; P337-I340 HydrophobicContact CB-CD1 3.69Å; P337-I340 HydrophobicContact CB-CG1 3.83Å; P337-I340 HydrophobicContact CG-CD1 4.24Å; P337-I340 PolarHBondContact O-N 2.81Å
338	L	42.5	Very low	54.6	Low	141 Å²	141	75.6 Å²	75.6	74%	0.738	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-51.7	-30.1	-173.3	-86.5	99.1	0	0	0	114	T336	T336-L338 PolarHBondContact O-N 3.48Å
339	N	43.7	Very low	52.5	Low	124 Å²	124	80.7 Å²	80.7	66%	0.663	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-86.2	-8.8	-176.6	-61.7	12.5	0	0	0	113.9	P337	P337-N339 PolarHBondContact O-N 3.36Å
340	I	44.9	Very low	50.7	Low	53 Å²	53	85.3 Å²	85.3	27%	0.272	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-88.2	-12.8	-179.6	-60.8	-173.3	0	0	0	111.9	P337	P337-I340 HydrophobicContact CB-CB 4.22Å; P337-I340 HydrophobicContact CB-CD1 3.69Å; P337-I340 HydrophobicContact CB-CG1 3.83Å; P337-I340 HydrophobicContact CG-CD1 4.24Å; P337-I340 PolarHBondContact O-N 2.81Å
341	I	43	Very low	49.1	Very low	90 Å²	90	91.5 Å²	91.5	46%	0.462	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-88.1	-15.5	-168.9	-61	176	0	0	0	113.4	G343 R344	I341-G343 PolarHBondContact O-N 2.82Å; I341-R344 PolarHBondContact O-N 2.98Å
342	Q	41.7	Very low	48	Very low	187 Å²	187	90.1 Å²	90.1	87%	0.874	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-61.8	-9.7	-175.4	-68.2	-171.5	-7.5	0	0	115.7
343	G	44.1	Very low	47.8	Very low	78 Å²	78	90.8 Å²	90.8	80%	0.804	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-114.5	9.3	172.7	0	0	0	0	0	115.5	I341	I341-G343 PolarHBondContact O-N 2.82Å
344	R	41.3	Very low	48	Very low	60 Å²	60	86.6 Å²	86.6	23%	0.226	51%	0.51	C	S	.	.			trans	-102.1	126.4	-172.9	-73.4	-176.8	169	176.1	-0.8	112.6	I341 S346	I341-R344 PolarHBondContact O-N 2.98Å; R344-S346 PolarHBondContact O-N 3.22Å
345	S	35	Very low	49.1	Very low	93 Å²	93	86.6 Å²	86.6	65%	0.65	51%	0.508	S	S	*	.			trans	-69.3	116.6	174.5	-171.3	0	0	0	0	111.6	S347	S345-S347 VanDerWaalsContact C-N 3.25Å; S345-S347 PolarHBondContact O-N 2.89Å; S345-S347 PolarHBondContact O-OG 2.87Å
346	S	35	Very low	50.7	Low	120 Å²	120	83 Å²	83	84%	0.839	48%	0.481	S	S	*	.	S	Bend	trans	25.3	9.2	148.3	71.7	0	0	0	0	124.3	R344	R344-S346 PolarHBondContact O-N 3.22Å
347	S	40.2	Very low	52.5	Low	103 Å²	103	80.8 Å²	80.8	72%	0.72	47%	0.468	S	S	*	.			trans	-132.6	11.6	-170.8	68.2	0	0	0	0	115.9	S345	S345-S347 VanDerWaalsContact C-N 3.25Å; S345-S347 PolarHBondContact O-N 2.89Å; S345-S347 PolarHBondContact O-OG 2.87Å
348	L	37.8	Very low	54.4	Low	77 Å²	77	81.9 Å²	81.9	40%	0.403	47%	0.47	S	S	.	.			trans	-106.9	122.6	173.3	-81.8	158.3	0	0	0	110.2
349	T	39.3	Very low	56.2	Low	106 Å²	106	77.7 Å²	77.7	65%	0.65	45%	0.445	S	S	*	.			trans	-67.8	148.9	177.1	45.6	0	0	0	0	111.4	D351	T349-D351 PolarHBondContact O-N 2.95Å
350	T	45	Very low	57.4	Low	119 Å²	119	73 Å²	73	73%	0.73	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	8.4	-169.6	47.4	0	0	0	0	115.9	T336	T336-T350 WeakPolarHBondContact CG2-O 3.26Å
351	D	49.7	Very low	58	Low	137 Å²	137	75.2 Å²	75.2	73%	0.733	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	9.5	-168.7	-70.5	-23	0	0	0	114.3	T349 D353	T349-D351 PolarHBondContact O-N 2.95Å; D351-D353 PolarHBondContact O-N 2.84Å; D351-D353 VanDerWaalsContact O-N 3.09Å
352	E	56.2	Low	58.1	Low	41 Å²	41	72.9 Å²	72.9	19%	0.192	42%	0.417	C	S	.	.			trans	-78.3	95	175.6	-63.8	-149.5	148	0	0	112	F354 K378	E352-F354 HydrophobicContact CB-CD2 4.41Å; E352-F354 HydrophobicContact CB-CE2 3.87Å; E352-F354 VanDerWaalsContact O-CD2 3.31Å; E352-F354 WeakPolarHBondContact O-CD2 3.09Å; E352-K378 WeakPolarHBondContact OE1-CE 3.48Å; E352-K378 IonicContact OE1-NZ 2.57Å; E352-K378 PolarHBondContact OE1-NZ 2.76Å
353	D	76	Confident	58.1	Low	82 Å²	82	70.2 Å²	70.2	44%	0.439	40%	0.402	S	S	.	.			trans	-61.5	132.6	164.9	-88.1	-10.7	0	0	0	111.4	S335 D351 P376 G377	S335-D353 WeakPolarHBondContact CA-OD1 3.32Å; D351-D353 PolarHBondContact O-N 2.84Å; D351-D353 VanDerWaalsContact O-N 3.09Å; D353-P376 CarbonylContact O-C 3.56Å; D353-P376 WeakPolarHBondContact O-CA 3.37Å; D353-G377 PolarHBondContact O-N 2.96Å
354	F	82.8	Confident	57.6	Low	14 Å²	14	73.2 Å²	73.2	6%	0.061	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.1	173.4	-80.7	-99.4	0	0	0	110.9	E319 M334 E352 L374 P376	E319-F354 HydrophobicContact CG-CE1 4.21Å; E319-F354 WeakPolarHBondContact OE1-CE1 3.4Å; M334-F354 PolarHBondContact N-O 3.03Å; M334-F354 PolarHBondContact O-N 3.46Å; M334-F354 VanDerWaalsContact O-N 3.08Å; M334-F354 VanDerWaalsContact O-O 3.06Å; E352-F354 HydrophobicContact CB-CD2 4.41Å; E352-F354 HydrophobicContact CB-CE2 3.87Å; E352-F354 VanDerWaalsContact O-CD2 3.31Å; E352-F354 WeakPolarHBondContact O-CD2 3.09Å; F354-L374 HydrophobicContact CB-CB 4.45Å; F354-L374 HydrophobicContact CD1-CB 3.95Å; F354-P376 HydrophobicContact CD1-CB 4.34Å; F354-P376 HydrophobicContact CD1-CG 4.14Å; F354-P376 HydrophobicContact CE1-CB 4.1Å; F354-P376 HydrophobicContact CE1-CG 3.56Å; F354-P376 HydrophobicContact CZ-CB 4.23Å; F354-P376 HydrophobicContact CZ-CG 3.88Å
355	W	87.9	Confident	57.1	Low	29 Å²	29	75.4 Å²	75.4	11%	0.11	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	136.4	177.5	-58.9	-2.5	0	0	0	109.6	I330 D332 R333 L374 V375 L380 I382	I330-W355 HydrophobicContact CD1-CD2 4.39Å; I330-W355 HydrophobicContact CD1-CE3 3.43Å; I330-W355 VanDerWaalsContact CD1-CE3 3.43Å; I330-W355 HydrophobicContact CD1-CZ3 3.53Å; I330-W355 HydrophobicContact CG1-CE3 4.07Å; D332-W355 WeakPolarHBondContact O-CA 3.15Å; R333-W355 HydrophobicContact CB-CG 4.31Å; R333-W355 HydrophobicContact CG-CD2 4.09Å; R333-W355 HydrophobicContact CG-CG 3.91Å; W355-L374 WeakPolarHBondContact O-CA 3.41Å; W355-V375 PolarHBondContact N-O 3.05Å; W355-V375 PolarHBondContact O-N 2.94Å; W355-L380 HydrophobicContact CB-CD1 4.19Å; W355-L380 HydrophobicContact CD2-CD1 4.24Å; W355-L380 HydrophobicContact CE3-CB 3.78Å; W355-L380 HydrophobicContact CE3-CD1 3.54Å; W355-L380 HydrophobicContact CE3-CG 4.29Å; W355-L380 HydrophobicContact CH2-CB 4.43Å; W355-L380 HydrophobicContact CZ3-CB 3.58Å; W355-L380 HydrophobicContact CZ3-CD1 4.23Å; W355-I382 HydrophobicContact CH2-CD1 3.72Å; W355-I382 HydrophobicContact CH2-CG1 3.94Å; W355-I382 HydrophobicContact CZ3-CD1 4.16Å; W355-I382 HydrophobicContact CZ3-CG1 3.88Å
356	L	85.1	Confident	56.8	Low	13 Å²	13	78.3 Å²	78.3	7%	0.068	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	122	171.2	179.3	74.7	0	0	0	108.1	Y268 L331 D332 L374	Y268-L356 HydrophobicContact CE1-CD1 4.47Å; Y268-L356 HydrophobicContact CE2-CD1 4.22Å; Y268-L356 WeakPolarHBondContact OH-CD2 3.49Å; L331-L356 HydrophobicContact CB-CB 4.43Å; L331-L356 HydrophobicContact CB-CD2 3.76Å; L331-L356 HydrophobicContact CB-CG 3.99Å; L331-L356 HydrophobicContact CD1-CD2 4.11Å; L331-L356 HydrophobicContact CD1-CG 4.2Å; L331-L356 PolarHBondContact N-O 3.01Å; D332-L356 HydrophobicContact CB-CB 4.01Å; D332-L356 HydrophobicContact CB-CD2 4.19Å; D332-L356 PolarHBondContact N-O 3.21Å; D332-L356 PolarHBondContact O-N 2.83Å; L356-L374 HydrophobicContact CB-CD2 4.04Å; L356-L374 HydrophobicContact CD1-CD2 3.96Å
357	V	86.6	Confident	56.7	Low	0 Å²	0	79.8 Å²	79.8	0%	0	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	160.2	-176.1	-69	0	0	0	0	112.7	L320 L328 L329 K372 G373 V375 L380	L320-V357 HydrophobicContact CD2-CG2 3.77Å; L328-V357 HydrophobicContact CB-CB 4.16Å; L328-V357 HydrophobicContact CB-CG1 4.19Å; L328-V357 HydrophobicContact CD1-CB 4.39Å; L328-V357 HydrophobicContact CD1-CG1 4.42Å; L328-V357 HydrophobicContact CD1-CG2 4.2Å; L328-V357 HydrophobicContact CD2-CB 4.25Å; L328-V357 HydrophobicContact CD2-CG2 4.21Å; L329-V357 CarbonylContact O-C 3.57Å; L329-V357 VanDerWaalsContact O-CA 3.26Å; L329-V357 WeakPolarHBondContact O-CA 3.48Å; V357-K372 WeakPolarHBondContact O-CA 3.47Å; V357-G373 WeakPolarHBondContact CG2-O 3.32Å; V357-G373 PolarHBondContact N-O 3.36Å; V357-G373 PolarHBondContact O-N 2.89Å; V357-V375 HydrophobicContact CG2-CB 4.28Å; V357-V375 HydrophobicContact CG2-CG2 3.53Å; V357-L380 HydrophobicContact CG1-CD1 3.78Å
358	E	84.3	Confident	56.3	Low	52 Å²	52	84.8 Å²	84.8	24%	0.243	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	138.6	170.8	179.3	159.5	-137.7	0	0	110.9	L329 L331 I360 R371 K372	L329-E358 HydrophobicContact CB-CB 4.34Å; L329-E358 PolarHBondContact N-O 2.75Å; L329-E358 PolarHBondContact O-N 3.41Å; L331-E358 HydrophobicContact CD1-CB 4Å; L331-E358 HydrophobicContact CD2-CB 4.33Å; L331-E358 HydrophobicContact CG-CB 4.16Å; E358-I360 PolarHBondContact O-N 2.87Å; E358-R371 VanDerWaalsContact CA-O 3.32Å; E358-R371 WeakPolarHBondContact CA-O 3.36Å; E358-K372 HydrophobicContact CB-CG 4.06Å; E358-K372 HydrophobicContact CG-CG 4.1Å; E358-K372 WeakPolarHBondContact OE1-CE 3.29Å; E358-K372 IonicContact OE1-NZ 3.02Å; E358-K372 PolarHBondContact OE1-NZ 2.84Å; E358-K372 IonicContact OE2-NZ 3.4Å; E358-K372 PolarHBondContact OE2-NZ 2.87Å
359	R	81.6	Confident	56.4	Low	54 Å²	54	84.9 Å²	84.9	20%	0.204	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	127	179.2	-75.9	173	159.3	-82.5	-14.1	111.4	L320 N321 E326 L328 E361 R371	L320-R359 HydrophobicContact CD2-CG 4.24Å; N321-R359 PolarHBondContact O-NH2 2.81Å; E326-R359 VanDerWaalsContact CD-CZ 3.48Å; E326-R359 IonicContact OE1-CZ 3.06Å; E326-R359 IonicContact OE1-NE 3.31Å; E326-R359 IonicContact OE1-NH1 2.92Å; E326-R359 PolarHBondContact OE1-NH1 2.98Å; E326-R359 IonicContact OE1-NH2 3.93Å; E326-R359 PolarHBondContact OE1-NH2 2.87Å; E326-R359 IonicContact OE2-CZ 3.25Å; E326-R359 IonicContact OE2-NH1 2.75Å; E326-R359 PolarHBondContact OE2-NH1 2.9Å; E326-R359 IonicContact OE2-NH2 2.64Å; E326-R359 PolarHBondContact OE2-NH2 2.79Å; L328-R359 HydrophobicContact CD2-CG 4.09Å; R359-E361 HydrophobicContact CB-CG 4.19Å; R359-E361 WeakPolarHBondContact CD-OE1 3.46Å; R359-E361 IonicContact NH1-OE1 2.87Å; R359-E361 PolarHBondContact NH1-OE1 2.84Å; R359-E361 PolarHBondContact O-N 2.8Å; R359-R371 PolarHBondContact N-O 3.41Å
360	I	68.2	Low	57	Low	25 Å²	25	82.8 Å²	82.8	13%	0.128	42%	0.416	C	S	.	.			trans	-88	84.8	177.8	-54.9	178.8	0	0	0	109.2	V305 R327 L329 E358 I391	V305-I360 HydrophobicContact CB-CD1 4.4Å; V305-I360 HydrophobicContact CG1-CD1 3.82Å; V305-I360 HydrophobicContact CG2-CD1 3.81Å; R327-I360 HydrophobicContact CB-CD1 4.49Å; R327-I360 PolarHBondContact O-N 3.49Å; L329-I360 HydrophobicContact CB-CD1 4.09Å; L329-I360 HydrophobicContact CB-CG1 3.91Å; L329-I360 HydrophobicContact CD1-CD1 4.44Å; E358-I360 PolarHBondContact O-N 2.87Å; I360-I391 HydrophobicContact CG2-CG1 4.27Å
361	E	57.2	Low	58.1	Low	99 Å²	99	84.5 Å²	84.5	46%	0.463	41%	0.409	S	S	.	.			trans	-121.8	132	-175.8	-69	175.6	-166.4	0	0	112.3	R359 K363	R359-E361 HydrophobicContact CB-CG 4.19Å; R359-E361 WeakPolarHBondContact CD-OE1 3.46Å; R359-E361 IonicContact NH1-OE1 2.87Å; R359-E361 PolarHBondContact NH1-OE1 2.84Å; R359-E361 PolarHBondContact O-N 2.8Å; E361-K363 VanDerWaalsContact C-N 3.26Å
362	L	44.6	Very low	59.6	Low	41 Å²	41	82.3 Å²	82.3	22%	0.215	39%	0.393	C	S	.	.			trans	-81.5	-3.6	164.7	-95.4	171.3	0	0	0	113.1	H364 F394 L404 I416	L362-H364 PolarHBondContact O-N 2.85Å; L362-F394 HydrophobicContact CB-CE1 4.25Å; L362-F394 HydrophobicContact CB-CZ 4.21Å; L362-F394 HydrophobicContact CD1-CD1 4.19Å; L362-F394 HydrophobicContact CD1-CD2 3.67Å; L362-F394 HydrophobicContact CD1-CE1 3.9Å; L362-F394 HydrophobicContact CD1-CE2 3.33Å; L362-F394 HydrophobicContact CD1-CG 4.11Å; L362-F394 HydrophobicContact CD1-CZ 3.48Å; L362-F394 VanDerWaalsContact CD1-CZ 3.48Å; L362-F394 HydrophobicContact CG-CE1 4.02Å; L362-F394 HydrophobicContact CG-CE2 3.82Å; L362-F394 HydrophobicContact CG-CZ 3.51Å; L362-L404 HydrophobicContact CB-CD1 4.39Å; L362-L404 HydrophobicContact CB-CD2 4.42Å; L362-L404 HydrophobicContact CD1-CB 4.5Å; L362-L404 HydrophobicContact CD1-CD1 4.19Å; L362-I416 HydrophobicContact CD1-CG2 3.53Å
363	K	41.5	Very low	60.9	Low	132 Å²	132	80.8 Å²	80.8	57%	0.574	39%	0.389	S	S	*	.			trans	-86.1	76.3	-171.9	-66.7	-174.1	178.7	-179.7	0	111.3	E361	E361-K363 VanDerWaalsContact C-N 3.26Å
364	H	34.9	Very low	61.4	Low	140 Å²	140	77.3 Å²	77.3	65%	0.648	37%	0.37	S	S	*	.			trans	-60.8	146.3	161	-88.2	-111.6	0	0	0	111	L362	L362-H364 PolarHBondContact O-N 2.85Å
365	M	31	Very low	61.6	Low	106 Å²	106	76.7 Å²	76.7	52%	0.522	37%	0.367	S	S	.	.	S	Bend	trans	88.5	-4.1	163	-50.6	-156.4	72.4	0	0	121.8	Q477	M365-Q477 HydrophobicContact CE-CB 4.11Å; M365-Q477 HydrophobicContact CE-CG 3.87Å
366	F	28.2	Very low	61.7	Low	154 Å²	154	75.4 Å²	75.4	68%	0.675	36%	0.363	S	S	*	.	S	Bend	trans	-132.4	136.5	172.7	-70.6	-85.4	0	0	0	113.9
367	N	32.1	Very low	61.7	Low	152 Å²	152	75.1 Å²	75.1	81%	0.813	36%	0.363	S	S	*	.			trans	64.7	118.6	-179.4	-65.2	-10	0	0	0	117.9	C369	N367-C369 PolarHBondContact O-N 3.04Å
368	H	32.1	Very low	61.8	Low	208 Å²	208	80.8 Å²	80.8	96%	0.963	39%	0.387	S	S	*	.			trans	-80.1	51.4	173.9	-77.9	-93	0	0	0	112.8
369	C	39.2	Very low	62	Low	78 Å²	78	80.7 Å²	80.7	53%	0.527	39%	0.385	S	S	.	.			trans	-73.5	148.9	169.1	-143.8	0	0	0	0	110	N367 R371	N367-C369 PolarHBondContact O-N 3.04Å; C369-R371 PolarHBondContact O-N 3.22Å
370	S	53.7	Low	62.3	Low	62 Å²	62	78.3 Å²	78.3	43%	0.434	38%	0.376	S	S	.	.			trans	-56.7	107.6	-177.3	-61.6	0	0	0	0	111.3	L320 K372	L320-S370 WeakPolarHBondContact CD1-O 3.44Å; S370-K372 PolarHBondContact O-N 3.5Å
371	R	68.2	Low	63.2	Low	156 Å²	156	82.7 Å²	82.7	59%	0.589	40%	0.396	S	S	*	.	S	Bend	trans	-66.2	-23.7	-177.5	-74.6	-176	172.5	171.1	-3.3	113.8	E358 R359 C369	E358-R371 VanDerWaalsContact CA-O 3.32Å; E358-R371 WeakPolarHBondContact CA-O 3.36Å; R359-R371 PolarHBondContact N-O 3.41Å; C369-R371 PolarHBondContact O-N 3.22Å
372	K	80.3	Confident	64.4	Low	91 Å²	91	80.7 Å²	80.7	40%	0.396	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	152.2	179.5	-55.5	176.8	-167.7	-94.9	0	109.6	L331 V357 E358 S370	L331-K372 HydrophobicContact CD1-CD 3.92Å; L331-K372 HydrophobicContact CD1-CG 4.29Å; V357-K372 WeakPolarHBondContact O-CA 3.47Å; E358-K372 HydrophobicContact CB-CG 4.06Å; E358-K372 HydrophobicContact CG-CG 4.1Å; E358-K372 WeakPolarHBondContact OE1-CE 3.29Å; E358-K372 IonicContact OE1-NZ 3.02Å; E358-K372 PolarHBondContact OE1-NZ 2.84Å; E358-K372 IonicContact OE2-NZ 3.4Å; E358-K372 PolarHBondContact OE2-NZ 2.87Å; S370-K372 PolarHBondContact O-N 3.5Å
373	G	83.4	Confident	65.6	Low	9 Å²	9	81 Å²	81	9%	0.093	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.5	-178.7	172.3	0	0	0	0	0	111.6	V357	V357-G373 WeakPolarHBondContact CG2-O 3.32Å; V357-G373 PolarHBondContact N-O 3.36Å; V357-G373 PolarHBondContact O-N 2.89Å
374	L	86.6	Confident	66.6	Low	9 Å²	9	77.1 Å²	77.1	5%	0.047	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	139	176.8	-59.7	-176.7	0	0	0	111.4	H318 E319 L320 M334 F354 W355 L356	H318-L374 PolarHBondContact O-N 3.02Å; E319-L374 CarbonylContact C-O 3.5Å; E319-L374 WeakPolarHBondContact CA-O 3.49Å; E319-L374 WeakPolarHBondContact CB-O 3.38Å; E319-L374 HydrophobicContact CG-CB 4.4Å; L320-L374 PolarHBondContact N-O 2.95Å; M334-L374 HydrophobicContact CE-CD1 4.06Å; M334-L374 HydrophobicContact CE-CD2 3.46Å; M334-L374 VanDerWaalsContact CE-CD2 3.46Å; M334-L374 HydrophobicContact CE-CG 4.44Å; F354-L374 HydrophobicContact CB-CB 4.45Å; F354-L374 HydrophobicContact CD1-CB 3.95Å; W355-L374 WeakPolarHBondContact O-CA 3.41Å; L356-L374 HydrophobicContact CB-CD2 4.04Å; L356-L374 HydrophobicContact CD1-CD2 3.96Å
375	V	87.6	Confident	67.6	Low	0 Å²	0	77.4 Å²	77.4	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	132.6	174.6	179.3	0	0	0	0	107.8	Y312 L320 V322 W355 V357 G377 L380	Y312-V375 HydrophobicContact CD1-CG1 4.07Å; L320-V375 HydrophobicContact CB-CG2 3.9Å; V322-V375 HydrophobicContact CG2-CG2 3.67Å; W355-V375 PolarHBondContact N-O 3.05Å; W355-V375 PolarHBondContact O-N 2.94Å; V357-V375 HydrophobicContact CG2-CB 4.28Å; V357-V375 HydrophobicContact CG2-CG2 3.53Å; V375-G377 PolarHBondContact O-N 2.96Å; V375-L380 HydrophobicContact CB-CD1 4.09Å; V375-L380 HydrophobicContact CG1-CD1 4.01Å; V375-L380 HydrophobicContact CG1-CD2 4.06Å; V375-L380 HydrophobicContact CG1-CG 3.91Å
376	P	88.3	Confident	69	Low	3 Å²	3	75 Å²	75	2%	0.019	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	127.9	179.3	-9.2	18.9	0	0	0	109.8	Y312 D353 F354 K378 Y379	Y312-P376 HydrophobicContact CD2-CG 4.37Å; Y312-P376 VanDerWaalsContact CE1-CD 3.43Å; Y312-P376 HydrophobicContact CE1-CG 4.25Å; Y312-P376 HydrophobicContact CE2-CG 3.7Å; D353-P376 CarbonylContact O-C 3.56Å; D353-P376 WeakPolarHBondContact O-CA 3.37Å; F354-P376 HydrophobicContact CD1-CB 4.34Å; F354-P376 HydrophobicContact CD1-CG 4.14Å; F354-P376 HydrophobicContact CE1-CB 4.1Å; F354-P376 HydrophobicContact CE1-CG 3.56Å; F354-P376 HydrophobicContact CZ-CB 4.23Å; F354-P376 HydrophobicContact CZ-CG 3.88Å; P376-K378 HydrophobicContact CB-CG 4.22Å; P376-K378 PolarHBondContact O-N 2.76Å; P376-Y379 HydrophobicContact CB-CD2 3.88Å; P376-Y379 HydrophobicContact CB-CE2 4.21Å; P376-Y379 HydrophobicContact CG-CD2 3.81Å; P376-Y379 HydrophobicContact CG-CE2 3.92Å; P376-Y379 WeakPolarHBondContact O-CB 3.3Å; P376-Y379 PolarHBondContact O-N 3.22Å
377	G	85.9	Confident	70.5	Confident	7 Å²	7	70 Å²	70	7%	0.072	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-56.6	-26.4	-169.4	0	0	0	0	0	114.1	D353 V375 Y379 L380	D353-G377 PolarHBondContact O-N 2.96Å; V375-G377 PolarHBondContact O-N 2.96Å; G377-Y379 PolarHBondContact O-N 2.84Å; G377-L380 PolarHBondContact O-N 2.85Å
378	K	88.2	Confident	71.9	Confident	118 Å²	118	65 Å²	65	51%	0.513	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-58.7	-27.9	173.7	63.9	-176.5	172.1	-172.7	0	114.5	K309 E352 P376 L380	K309-K378 WeakPolarHBondContact CE-O 3.34Å; K309-K378 PolarHBondContact NZ-O 3.07Å; E352-K378 WeakPolarHBondContact OE1-CE 3.48Å; E352-K378 IonicContact OE1-NZ 2.57Å; E352-K378 PolarHBondContact OE1-NZ 2.76Å; P376-K378 HydrophobicContact CB-CG 4.22Å; P376-K378 PolarHBondContact O-N 2.76Å; K378-L380 VanDerWaalsContact C-N 3.3Å
379	Y	88.8	Confident	73.2	Confident	51 Å²	51	56.8 Å²	56.8	20%	0.2	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-75	-19.9	175	-72.6	-93.4	0	0	0	112.8	K309 M310 Y312 P376 G377	K309-Y379 PolarHBondContact N-O 3.32Å; M310-Y379 HydrophobicContact CG-CD1 3.36Å; M310-Y379 HydrophobicContact CG-CE1 3.67Å; M310-Y379 HydrophobicContact CG-CG 4.4Å; M310-Y379 HydrophobicContact SD-CD1 3.9Å; M310-Y379 HydrophobicContact SD-CE1 3.78Å; Y312-Y379 HydrophobicContact CD2-CD1 4.07Å; Y312-Y379 AromaticContact CD2-CD2 3.9Å; Y312-Y379 HydrophobicContact CD2-CD2 3.9Å; Y312-Y379 AromaticContact CD2-CE1 3.77Å; Y312-Y379 HydrophobicContact CD2-CE1 3.77Å; Y312-Y379 AromaticContact CD2-CE2 3.57Å; Y312-Y379 HydrophobicContact CD2-CE2 3.57Å; Y312-Y379 HydrophobicContact CD2-CG 4.16Å; Y312-Y379 AromaticContact CD2-CZ 3.52Å; Y312-Y379 HydrophobicContact CE2-CD2 4.44Å; Y312-Y379 AromaticContact CE2-CE2 3.96Å; Y312-Y379 HydrophobicContact CE2-CE2 3.96Å; Y312-Y379 HydrophobicContact CG-CD1 4.19Å; Y312-Y379 HydrophobicContact CG-CD2 4.32Å; Y312-Y379 HydrophobicContact CG-CE1 4.29Å; Y312-Y379 HydrophobicContact CG-CE2 4.41Å; Y312-Y379 HydrophobicContact CG-CG 4.23Å; P376-Y379 HydrophobicContact CB-CD2 3.88Å; P376-Y379 HydrophobicContact CB-CE2 4.21Å; P376-Y379 HydrophobicContact CG-CD2 3.81Å; P376-Y379 HydrophobicContact CG-CE2 3.92Å; P376-Y379 WeakPolarHBondContact O-CB 3.3Å; P376-Y379 PolarHBondContact O-N 3.22Å; G377-Y379 PolarHBondContact O-N 2.84Å
380	L	88.3	Confident	74.4	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.016	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	151.6	-170.1	-60.3	179.2	0	0	0	112.6	A306 V307 A308 K309 L328 W355 V357 V375 G377 K378	A306-L380 HydrophobicContact CB-CB 4.22Å; V307-L380 CarbonylContact O-C 3.56Å; A308-L380 HydrophobicContact CB-CD2 4.37Å; K309-L380 WeakPolarHBondContact CE-O 3.27Å; K309-L380 PolarHBondContact NZ-O 3.05Å; L328-L380 HydrophobicContact CD1-CD2 3.65Å; W355-L380 HydrophobicContact CB-CD1 4.19Å; W355-L380 HydrophobicContact CD2-CD1 4.24Å; W355-L380 HydrophobicContact CE3-CB 3.78Å; W355-L380 HydrophobicContact CE3-CD1 3.54Å; W355-L380 HydrophobicContact CE3-CG 4.29Å; W355-L380 HydrophobicContact CH2-CB 4.43Å; W355-L380 HydrophobicContact CZ3-CB 3.58Å; W355-L380 HydrophobicContact CZ3-CD1 4.23Å; V357-L380 HydrophobicContact CG1-CD1 3.78Å; V375-L380 HydrophobicContact CB-CD1 4.09Å; V375-L380 HydrophobicContact CG1-CD1 4.01Å; V375-L380 HydrophobicContact CG1-CD2 4.06Å; V375-L380 HydrophobicContact CG1-CG 3.91Å; G377-L380 PolarHBondContact O-N 2.85Å; K378-L380 VanDerWaalsContact C-N 3.3Å
381	Q	86.7	Confident	74.6	Confident	117 Å²	117	56.5 Å²	56.5	55%	0.547	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	116.2	171.6	-178.5	167.1	-5.9	0	0	109.3	A306 V307 K309 I383	A306-Q381 CarbonylContact C-O 3.58Å; A306-Q381 WeakPolarHBondContact CA-O 3.39Å; A306-Q381 WeakPolarHBondContact CB-O 3.25Å; V307-Q381 PolarHBondContact N-O 2.77Å; V307-Q381 PolarHBondContact O-N 2.91Å; K309-Q381 HydrophobicContact CD-CB 3.86Å; K309-Q381 HydrophobicContact CG-CB 3.74Å; Q381-I383 PolarHBondContact O-N 3.34Å
382	I	82.6	Confident	74.5	Confident	58 Å²	58	49.8 Å²	49.8	30%	0.297	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	126.9	169.6	-58.9	143.6	0	0	0	107.6	F304 I330 R333 W355	F304-I382 HydrophobicContact CB-CG2 4.18Å; F304-I382 HydrophobicContact CD1-CG2 3.79Å; F304-I382 HydrophobicContact CG-CG2 4.28Å; I330-I382 HydrophobicContact CD1-CG1 3.76Å; R333-I382 VanDerWaalsContact CZ-CD1 3.5Å; R333-I382 VanDerWaalsContact NH2-CD1 3.28Å; W355-I382 HydrophobicContact CH2-CD1 3.72Å; W355-I382 HydrophobicContact CH2-CG1 3.94Å; W355-I382 HydrophobicContact CZ3-CD1 4.16Å; W355-I382 HydrophobicContact CZ3-CG1 3.88Å
383	I	70.3	Confident	74	Confident	47 Å²	47	47.1 Å²	47.1	24%	0.241	26%	0.257	C	S	.	.			trans	-83.4	133.7	171.8	-48.6	170.1	0	0	0	107.7	V305 V307 Q381 T389	V305-I383 HydrophobicContact CG1-CD1 4.35Å; V305-I383 PolarHBondContact O-N 2.77Å; V307-I383 HydrophobicContact CB-CD1 4.48Å; V307-I383 HydrophobicContact CG2-CD1 3.83Å; V307-I383 HydrophobicContact CG2-CG1 4.47Å; Q381-I383 PolarHBondContact O-N 3.34Å; I383-T389 HydrophobicContact CB-CG2 3.49Å; I383-T389 VanDerWaalsContact CB-CG2 3.49Å; I383-T389 HydrophobicContact CG2-CG2 3.36Å
384	G	61.8	Low	73.2	Confident	50 Å²	50	48.1 Å²	48.1	52%	0.515	26%	0.259	S	S	.	.			trans	-71.6	-178.4	173.9	0	0	0	0	0	113	S386 T389	G384-S386 PolarHBondContact O-N 3.4Å; G384-T389 WeakPolarHBondContact O-CG2 3.48Å
385	N	55.9	Low	72.6	Confident	147 Å²	147	54.1 Å²	54.1	79%	0.786	29%	0.291	S	S	*	.	S	Bend	trans	-65.4	46.3	-166.8	-63.7	-18.8	0	0	0	117.5	C211	C211-N385 PolarHBondContact SG-O 2.96Å
386	S	61	Low	71.6	Confident	54 Å²	54	55.9 Å²	55.9	38%	0.378	30%	0.3	S	S	.	.	S	Bend	trans	-84.7	154.6	170.9	177.5	0	0	0	0	111	G384 T388 T389	G384-S386 PolarHBondContact O-N 3.4Å; S386-T388 WeakPolarHBondContact CB-OG1 3.4Å; S386-T388 PolarHBondContact O-N 3.07Å; S386-T388 VanDerWaalsContact O-N 3.1Å; S386-T388 PolarHBondContact OG-N 3.36Å; S386-T388 PolarHBondContact OG-OG1 3.23Å; S386-T388 VanDerWaalsContact OG-OG1 3.12Å; S386-T389 WeakPolarHBondContact O-CB 3.46Å; S386-T389 PolarHBondContact O-N 3.23Å; S386-T389 PolarHBondContact O-OG1 3.19Å
387	L	60.2	Low	70.7	Confident	50 Å²	50	59.9 Å²	59.9	26%	0.262	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-55.3	-26.8	171.7	-172.4	62.2	0	0	0	112.8	T389 H390 W393 I417	L387-T389 PolarHBondContact O-N 3.38Å; L387-T389 VanDerWaalsContact O-N 3.13Å; L387-H390 WeakPolarHBondContact O-CB 3.39Å; L387-H390 PolarHBondContact O-N 2.7Å; L387-H390 VanDerWaalsContact O-N 3.11Å; L387-W393 HydrophobicContact CD2-CE3 4.34Å; L387-W393 HydrophobicContact CD2-CZ3 3.91Å; L387-W393 HydrophobicContact CG-CE3 3.96Å; L387-W393 HydrophobicContact CG-CZ3 3.99Å; L387-I417 HydrophobicContact CD1-CD1 4.24Å; L387-I417 HydrophobicContact CD1-CG2 4.47Å; L387-I417 HydrophobicContact CD2-CG2 4.21Å; L387-I417 HydrophobicContact CG-CG2 4.31Å
388	T	60.4	Low	69.9	Low	47 Å²	47	65.7 Å²	65.7	29%	0.288	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-65.4	-9.2	174.6	63.5	0	0	0	0	114.3	R327 S386 W393	R327-T388 PolarHBondContact NH2-O 2.91Å; S386-T388 WeakPolarHBondContact CB-OG1 3.4Å; S386-T388 PolarHBondContact O-N 3.07Å; S386-T388 VanDerWaalsContact O-N 3.1Å; S386-T388 PolarHBondContact OG-N 3.36Å; S386-T388 PolarHBondContact OG-OG1 3.23Å; S386-T388 VanDerWaalsContact OG-OG1 3.12Å; T388-W393 HydrophobicContact CG2-CD2 4.29Å; T388-W393 HydrophobicContact CG2-CH2 4.4Å; T388-W393 HydrophobicContact CG2-CZ2 3.91Å
389	T	60.1	Low	68.7	Low	35 Å²	35	65.1 Å²	65.1	22%	0.215	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-92	-8.5	174.6	66.9	0	0	0	0	114.2	V305 I383 G384 S386 L387 I391	V305-T389 VanDerWaalsContact CG2-O 3.25Å; V305-T389 WeakPolarHBondContact CG2-O 3.35Å; I383-T389 HydrophobicContact CB-CG2 3.49Å; I383-T389 VanDerWaalsContact CB-CG2 3.49Å; I383-T389 HydrophobicContact CG2-CG2 3.36Å; G384-T389 WeakPolarHBondContact O-CG2 3.48Å; S386-T389 WeakPolarHBondContact O-CB 3.46Å; S386-T389 PolarHBondContact O-N 3.23Å; S386-T389 PolarHBondContact O-OG1 3.19Å; L387-T389 PolarHBondContact O-N 3.38Å; L387-T389 VanDerWaalsContact O-N 3.13Å; T389-I391 PolarHBondContact O-N 3.27Å
390	H	63.4	Low	67.4	Low	46 Å²	46	65 Å²	65	21%	0.213	35%	0.345	C	S	.	.	S	Bend	trans	-62.2	137	175.4	-161.3	-97.1	0	0	0	109.6	R327 L387 S392 W393 Y415 I417	R327-H390 PolarHBondContact NH2-O 3.08Å; L387-H390 WeakPolarHBondContact O-CB 3.39Å; L387-H390 PolarHBondContact O-N 2.7Å; L387-H390 VanDerWaalsContact O-N 3.11Å; H390-S392 PolarHBondContact CE1-OG 3.42Å; H390-S392 VanDerWaalsContact CE1-OG 3.24Å; H390-S392 WeakPolarHBondContact ND1-CB 3.33Å; H390-S392 PolarHBondContact ND1-N 2.66Å; H390-S392 PolarHBondContact ND1-OG 3.08Å; H390-S392 PolarHBondContact O-N 2.94Å; H390-W393 HydrophobicContact CB-CB 4.37Å; H390-W393 VanDerWaalsContact O-CB 3.27Å; H390-W393 WeakPolarHBondContact O-CB 3.45Å; H390-W393 PolarHBondContact O-N 3.45Å; H390-Y415 PolarHBondContact CE1-OH 3.46Å; H390-I417 HydrophobicContact CB-CD1 4.16Å
391	I	59.2	Low	66.3	Low	88 Å²	88	65 Å²	65	45%	0.451	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-31.4	-179.2	-168.5	168.4	0	0	0	111.7	L329 I360 T389 W393	L329-I391 HydrophobicContact CD1-CD1 4.34Å; L329-I391 HydrophobicContact CD2-CD1 4.35Å; I360-I391 HydrophobicContact CG2-CG1 4.27Å; T389-I391 PolarHBondContact O-N 3.27Å; I391-W393 VanDerWaalsContact C-N 3.31Å; I391-W393 PolarHBondContact O-N 3.4Å
392	S	65.9	Low	65.1	Low	16 Å²	16	61.8 Å²	61.8	11%	0.112	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	6.6	173.6	-29.7	0	0	0	0	114.6	H390 F394 Y415 I417	H390-S392 PolarHBondContact CE1-OG 3.42Å; H390-S392 VanDerWaalsContact CE1-OG 3.24Å; H390-S392 WeakPolarHBondContact ND1-CB 3.33Å; H390-S392 PolarHBondContact ND1-N 2.66Å; H390-S392 PolarHBondContact ND1-OG 3.08Å; H390-S392 PolarHBondContact O-N 2.94Å; S392-F394 WeakPolarHBondContact O-CD2 3.31Å; S392-Y415 WeakPolarHBondContact OG-CE2 3.49Å; S392-Y415 PolarHBondContact OG-OH 3.39Å; S392-I417 PolarHBondContact O-N 2.78Å
393	W	70.3	Confident	64.1	Low	34 Å²	34	64.9 Å²	64.9	13%	0.129	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-77.7	128.9	172.9	177.1	-83.7	0	0	0	110.7	R327 L387 T388 H390 I391 I417 P419	R327-W393 PolarHBondContact NH1-O 3.46Å; L387-W393 HydrophobicContact CD2-CE3 4.34Å; L387-W393 HydrophobicContact CD2-CZ3 3.91Å; L387-W393 HydrophobicContact CG-CE3 3.96Å; L387-W393 HydrophobicContact CG-CZ3 3.99Å; T388-W393 HydrophobicContact CG2-CD2 4.29Å; T388-W393 HydrophobicContact CG2-CH2 4.4Å; T388-W393 HydrophobicContact CG2-CZ2 3.91Å; H390-W393 HydrophobicContact CB-CB 4.37Å; H390-W393 VanDerWaalsContact O-CB 3.27Å; H390-W393 WeakPolarHBondContact O-CB 3.45Å; H390-W393 PolarHBondContact O-N 3.45Å; I391-W393 VanDerWaalsContact C-N 3.31Å; I391-W393 PolarHBondContact O-N 3.4Å; W393-I417 CarbonylContact C-O 3.52Å; W393-I417 WeakPolarHBondContact CA-O 3.39Å; W393-I417 HydrophobicContact CE3-CB 4.18Å; W393-I417 HydrophobicContact CE3-CG2 3.63Å; W393-I417 HydrophobicContact CZ3-CG2 3.92Å; W393-P419 HydrophobicContact CH2-CG 4.13Å; W393-P419 HydrophobicContact CZ2-CG 3.83Å
394	F	66.7	Low	63.5	Low	31 Å²	31	63 Å²	63	14%	0.136	33%	0.329	C	S	.	.			trans	-133.8	130	174.3	-68	-84.4	0	0	0	109.9	L362 S392 I396 I416 I417 R418	L362-F394 HydrophobicContact CB-CE1 4.25Å; L362-F394 HydrophobicContact CB-CZ 4.21Å; L362-F394 HydrophobicContact CD1-CD1 4.19Å; L362-F394 HydrophobicContact CD1-CD2 3.67Å; L362-F394 HydrophobicContact CD1-CE1 3.9Å; L362-F394 HydrophobicContact CD1-CE2 3.33Å; L362-F394 HydrophobicContact CD1-CG 4.11Å; L362-F394 HydrophobicContact CD1-CZ 3.48Å; L362-F394 VanDerWaalsContact CD1-CZ 3.48Å; L362-F394 HydrophobicContact CG-CE1 4.02Å; L362-F394 HydrophobicContact CG-CE2 3.82Å; L362-F394 HydrophobicContact CG-CZ 3.51Å; S392-F394 WeakPolarHBondContact O-CD2 3.31Å; F394-I396 VanDerWaalsContact C-N 3.32Å; F394-I396 HydrophobicContact CB-CD1 3.66Å; F394-I396 HydrophobicContact CB-CG1 3.77Å; F394-I396 HydrophobicContact CB-CG2 4.35Å; F394-I396 HydrophobicContact CG-CD1 4.45Å; F394-I396 PolarHBondContact O-N 2.91Å; F394-I396 VanDerWaalsContact O-N 3.11Å; F394-I416 HydrophobicContact CD2-CB 4.23Å; F394-I416 HydrophobicContact CD2-CG2 3.76Å; F394-I416 HydrophobicContact CE2-CG2 4.08Å; F394-I417 PolarHBondContact N-O 3.08Å; F394-R418 WeakPolarHBondContact O-CA 3.37Å; F394-R418 VanDerWaalsContact O-CB 3.3Å; F394-R418 WeakPolarHBondContact O-CB 3.4Å
395	D	72.1	Confident	63.3	Low	134 Å²	134	63.6 Å²	63.6	72%	0.717	32%	0.32	S	S	*	.			trans	-86.5	77.6	176.7	-162.6	20.6	0	0	0	109	P419	D395-P419 WeakPolarHBondContact OD1-CG 3.42Å
396	I	68.1	Low	63.2	Low	37 Å²	37	60 Å²	60	19%	0.19	30%	0.3	C	S	.	.			trans	-141.2	153.6	-172.3	59.3	-179.5	0	0	0	110.8	F394 E400 A401 L404 I416 R418	F394-I396 VanDerWaalsContact C-N 3.32Å; F394-I396 HydrophobicContact CB-CD1 3.66Å; F394-I396 HydrophobicContact CB-CG1 3.77Å; F394-I396 HydrophobicContact CB-CG2 4.35Å; F394-I396 HydrophobicContact CG-CD1 4.45Å; F394-I396 PolarHBondContact O-N 2.91Å; F394-I396 VanDerWaalsContact O-N 3.11Å; I396-E400 HydrophobicContact CB-CB 4.28Å; I396-E400 HydrophobicContact CB-CG 4.17Å; I396-E400 HydrophobicContact CD1-CG 4.38Å; I396-E400 HydrophobicContact CG2-CG 3.97Å; I396-A401 HydrophobicContact CD1-CB 3.91Å; I396-A401 HydrophobicContact CG1-CB 4.2Å; I396-L404 HydrophobicContact CD1-CD1 3.85Å; I396-I416 HydrophobicContact CD1-CD1 4.17Å; I396-R418 HydrophobicContact CG1-CB 4.32Å; I396-R418 VanDerWaalsContact O-CD 3.26Å; I396-R418 WeakPolarHBondContact O-CD 3.04Å
397	D	69.6	Low	62.7	Low	88 Å²	88	60.3 Å²	60.3	47%	0.471	30%	0.297	S	S	.	.			trans	-73.4	-174	175.2	69.5	41.5	0	0	0	112.9	N399 E400 A401 R418	D397-N399 WeakPolarHBondContact OD1-CA 3.42Å; D397-N399 WeakPolarHBondContact OD1-CB 3.45Å; D397-N399 PolarHBondContact OD1-N 3.24Å; D397-E400 PolarHBondContact OD1-N 3.33Å; D397-A401 WeakPolarHBondContact O-CB 3.42Å; D397-A401 PolarHBondContact O-N 3.33Å; D397-R418 WeakPolarHBondContact O-CD 3.45Å
398	R	69.3	Low	61.8	Low	129 Å²	129	62.3 Å²	62.3	49%	0.487	31%	0.307	S	S	.	.	H	α-helix	trans	-66.5	-34.5	179	-179.8	174.5	178.6	147.8	3.1	113.4	E402	R398-E402 WeakPolarHBondContact O-CB 3.45Å; R398-E402 PolarHBondContact O-N 3.32Å
399	N	61.2	Low	61	Low	106 Å²	106	63.9 Å²	63.9	57%	0.567	33%	0.332	S	S	*	.	H	α-helix	trans	-84.7	-43.1	-168.3	-57.7	-6.1	0	0	0	110.6	D397 A401 E402 R403	D397-N399 WeakPolarHBondContact OD1-CA 3.42Å; D397-N399 WeakPolarHBondContact OD1-CB 3.45Å; D397-N399 PolarHBondContact OD1-N 3.24Å; N399-A401 VanDerWaalsContact C-N 3.3Å; N399-E402 PolarHBondContact O-N 2.86Å; N399-R403 WeakPolarHBondContact O-CB 3.13Å; N399-R403 PolarHBondContact O-N 3.36Å
400	E	62.7	Low	60.5	Low	47 Å²	47	64.7 Å²	64.7	22%	0.22	34%	0.335	C	S	.	.	H	α-helix	trans	-66.5	-35.5	171	177.5	64.2	-179.7	0	0	110.8	I396 D397 E402 R403 L404	I396-E400 HydrophobicContact CB-CB 4.28Å; I396-E400 HydrophobicContact CB-CG 4.17Å; I396-E400 HydrophobicContact CD1-CG 4.38Å; I396-E400 HydrophobicContact CG2-CG 3.97Å; D397-E400 PolarHBondContact OD1-N 3.33Å; E400-E402 PolarHBondContact O-N 2.85Å; E400-R403 VanDerWaalsContact CD-NH2 3.27Å; E400-R403 PolarHBondContact O-N 3.37Å; E400-R403 IonicContact OE1-CZ 2.8Å; E400-R403 IonicContact OE1-NE 3.5Å; E400-R403 IonicContact OE1-NH2 3.33Å; E400-R403 PolarHBondContact OE1-NH2 3.2Å; E400-R403 IonicContact OE2-CZ 2.65Å; E400-R403 VanDerWaalsContact OE2-CZ 3.26Å; E400-R403 IonicContact OE2-NE 3.27Å; E400-R403 PolarHBondContact OE2-NE 3.08Å; E400-R403 IonicContact OE2-NH2 2.7Å; E400-R403 PolarHBondContact OE2-NH2 3Å; E400-L404 HydrophobicContact CG-CD1 4.03Å; E400-L404 HydrophobicContact CG-CG 4.33Å; E400-L404 WeakPolarHBondContact O-CB 3.29Å; E400-L404 VanDerWaalsContact O-CG 3.27Å; E400-L404 WeakPolarHBondContact O-CG 3.45Å; E400-L404 PolarHBondContact O-N 3.4Å
401	A	64.8	Low	59.6	Low	5 Å²	5	67 Å²	67	4%	0.041	35%	0.354	C	S	.	.	H	α-helix	trans	-58.7	-45.3	171.2	0	0	0	0	0	112.6	I396 D397 N399 L405 I416	I396-A401 HydrophobicContact CD1-CB 3.91Å; I396-A401 HydrophobicContact CG1-CB 4.2Å; D397-A401 WeakPolarHBondContact O-CB 3.42Å; D397-A401 PolarHBondContact O-N 3.33Å; N399-A401 VanDerWaalsContact C-N 3.3Å; A401-L405 WeakPolarHBondContact O-CB 3.45Å; A401-L405 VanDerWaalsContact O-CG 3.27Å; A401-L405 WeakPolarHBondContact O-CG 3.46Å; A401-L405 PolarHBondContact O-N 2.84Å; A401-L405 VanDerWaalsContact O-N 3.11Å; A401-I416 HydrophobicContact CB-CD1 3.42Å; A401-I416 VanDerWaalsContact CB-CD1 3.42Å
402	E	61.9	Low	59	Low	48 Å²	48	67.7 Å²	67.7	22%	0.224	37%	0.367	C	S	.	.	H	α-helix	trans	-64.4	-49.3	175.4	-174	175	125.5	0	0	111.5	R398 N399 E400 L404 L405 L406 Y435	R398-E402 WeakPolarHBondContact O-CB 3.45Å; R398-E402 PolarHBondContact O-N 3.32Å; N399-E402 PolarHBondContact O-N 2.86Å; E400-E402 PolarHBondContact O-N 2.85Å; E402-L404 VanDerWaalsContact C-N 3.33Å; E402-L404 PolarHBondContact O-N 2.76Å; E402-L405 PolarHBondContact O-N 3.14Å; E402-L405 VanDerWaalsContact O-N 3.15Å; E402-L406 HydrophobicContact CG-CD1 3.85Å; E402-L406 HydrophobicContact CG-CG 4.43Å; E402-L406 WeakPolarHBondContact O-CB 3.47Å; E402-L406 WeakPolarHBondContact O-CG 3.45Å; E402-L406 PolarHBondContact O-N 3.31Å; E402-Y435 HydrophobicContact CG-CD1 4.37Å; E402-Y435 HydrophobicContact CG-CE1 4.07Å; E402-Y435 WeakPolarHBondContact OE1-CE1 3.26Å; E402-Y435 PolarHBondContact OE1-OH 3.06Å; E402-Y435 WeakPolarHBondContact OE2-CE1 3.32Å; E402-Y435 VanDerWaalsContact OE2-CZ 3.22Å; E402-Y435 PolarHBondContact OE2-OH 3.07Å
403	R	61.9	Low	58.2	Low	123 Å²	123	70.3 Å²	70.3	46%	0.464	40%	0.396	S	S	.	.	H	α-helix	trans	-57.5	-43.1	178.8	-163.1	-170.7	68.3	73.7	9	112.3	N399 E400 L407	N399-R403 WeakPolarHBondContact O-CB 3.13Å; N399-R403 PolarHBondContact O-N 3.36Å; E400-R403 VanDerWaalsContact CD-NH2 3.27Å; E400-R403 PolarHBondContact O-N 3.37Å; E400-R403 IonicContact OE1-CZ 2.8Å; E400-R403 IonicContact OE1-NE 3.5Å; E400-R403 IonicContact OE1-NH2 3.33Å; E400-R403 PolarHBondContact OE1-NH2 3.2Å; E400-R403 IonicContact OE2-CZ 2.65Å; E400-R403 VanDerWaalsContact OE2-CZ 3.26Å; E400-R403 IonicContact OE2-NE 3.27Å; E400-R403 PolarHBondContact OE2-NE 3.08Å; E400-R403 IonicContact OE2-NH2 2.7Å; E400-R403 PolarHBondContact OE2-NH2 3Å; R403-L407 PolarHBondContact O-N 3.08Å
404	L	56.8	Low	57.7	Low	9 Å²	9	70.9 Å²	70.9	5%	0.047	40%	0.404	C	S	.	.	H	α-helix	trans	-69.7	-36.2	177.3	-70.8	175.1	0	0	0	112.8	L362 I396 E400 E402 L407 N410	L362-L404 HydrophobicContact CB-CD1 4.39Å; L362-L404 HydrophobicContact CB-CD2 4.42Å; L362-L404 HydrophobicContact CD1-CB 4.5Å; L362-L404 HydrophobicContact CD1-CD1 4.19Å; I396-L404 HydrophobicContact CD1-CD1 3.85Å; E400-L404 HydrophobicContact CG-CD1 4.03Å; E400-L404 HydrophobicContact CG-CG 4.33Å; E400-L404 WeakPolarHBondContact O-CB 3.29Å; E400-L404 VanDerWaalsContact O-CG 3.27Å; E400-L404 WeakPolarHBondContact O-CG 3.45Å; E400-L404 PolarHBondContact O-N 3.4Å; E402-L404 VanDerWaalsContact C-N 3.33Å; E402-L404 PolarHBondContact O-N 2.76Å; L404-L407 HydrophobicContact CD2-CD1 4.04Å; L404-N410 PolarHBondContact O-ND2 2.7Å
405	L	57.9	Low	57.7	Low	62 Å²	62	74.4 Å²	74.4	33%	0.325	42%	0.417	S	S	.	.	H	α-helix	trans	-71.8	-31.4	176.3	-75.3	174.6	0	0	0	113	A401 E402 L407 N410 T414 I416	A401-L405 WeakPolarHBondContact O-CB 3.45Å; A401-L405 VanDerWaalsContact O-CG 3.27Å; A401-L405 WeakPolarHBondContact O-CG 3.46Å; A401-L405 PolarHBondContact O-N 2.84Å; A401-L405 VanDerWaalsContact O-N 3.11Å; E402-L405 PolarHBondContact O-N 3.14Å; E402-L405 VanDerWaalsContact O-N 3.15Å; L405-L407 VanDerWaalsContact C-N 3.34Å; L405-N410 VanDerWaalsContact C-ND2 3.35Å; L405-N410 PolarHBondContact O-ND2 3.11Å; L405-T414 HydrophobicContact CD2-CG2 3.92Å; L405-I416 HydrophobicContact CD1-CD1 3.91Å; L405-I416 HydrophobicContact CD1-CG1 3.96Å; L405-I416 HydrophobicContact CD2-CD1 4.39Å; L405-I416 HydrophobicContact CD2-CG1 4.17Å; L405-I416 HydrophobicContact CD2-CG2 4.49Å; L405-I416 HydrophobicContact CG-CD1 3.85Å; L405-I416 HydrophobicContact CG-CG1 4.09Å
406	L	54.4	Low	57.5	Low	71 Å²	71	69.6 Å²	69.6	37%	0.372	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-5	179.7	-67.5	177.7	0	0	0	114.4	E402 M408 K437	E402-L406 HydrophobicContact CG-CD1 3.85Å; E402-L406 HydrophobicContact CG-CG 4.43Å; E402-L406 WeakPolarHBondContact O-CB 3.47Å; E402-L406 WeakPolarHBondContact O-CG 3.45Å; E402-L406 PolarHBondContact O-N 3.31Å; L406-M408 PolarHBondContact O-N 3.26Å; L406-K437 HydrophobicContact CD2-CG 4.43Å
407	L	49.7	Very low	57.6	Low	60 Å²	60	69.1 Å²	69.1	31%	0.314	39%	0.388	S	S	.	.	S	Bend	trans	-54.1	133.8	174.8	-74.5	173.2	0	0	0	112.3	R403 L404 L405 N410	R403-L407 PolarHBondContact O-N 3.08Å; L404-L407 HydrophobicContact CD2-CD1 4.04Å; L405-L407 VanDerWaalsContact C-N 3.34Å; L407-N410 WeakPolarHBondContact O-CB 3.49Å; L407-N410 PolarHBondContact O-N 3.28Å; L407-N410 PolarHBondContact O-ND2 3.19Å
408	M	41.2	Very low	57.7	Low	93 Å²	93	68.2 Å²	68.2	46%	0.458	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	136.3	176.8	-63.4	-178.6	77.1	0	0	110.5	L406 Y439 V478 P479	L406-M408 PolarHBondContact O-N 3.26Å; M408-Y439 HydrophobicContact CG-CE2 4.21Å; M408-Y439 HydrophobicContact SD-CE2 3.79Å; M408-V478 HydrophobicContact CE-CG1 4.27Å; M408-V478 HydrophobicContact SD-CB 4.49Å; M408-V478 HydrophobicContact SD-CG1 3.87Å; M408-V478 HydrophobicContact SD-CG2 4.22Å; M408-P479 HydrophobicContact CE-CG 3.76Å
409	G	44.5	Very low	57.6	Low	80 Å²	80	64.1 Å²	64.1	83%	0.825	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.8	-16	-173.4	0	0	0	0	0	114.6	P411	G409-P411 WeakPolarHBondContact O-CD 3.45Å
410	N	48.7	Very low	58	Low	52 Å²	52	60.8 Å²	60.8	28%	0.278	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-65.2	122.1	170.7	-78.3	-23.3	0	0	0	111.1	L404 L405 L407 T414	L404-N410 PolarHBondContact O-ND2 2.7Å; L405-N410 VanDerWaalsContact C-ND2 3.35Å; L405-N410 PolarHBondContact O-ND2 3.11Å; L407-N410 WeakPolarHBondContact O-CB 3.49Å; L407-N410 PolarHBondContact O-N 3.28Å; L407-N410 PolarHBondContact O-ND2 3.19Å; N410-T414 HydrophobicContact CB-CG2 4.47Å
411	P	43.5	Very low	58	Low	93 Å²	93	62 Å²	62	60%	0.604	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-67.5	154.9	174.9	27.3	-35	0	0	0	112.5	G409 G413 T414	G409-P411 WeakPolarHBondContact O-CD 3.45Å; P411-G413 PolarHBondContact O-N 3.36Å; P411-T414 VanDerWaalsContact CD-OG1 3.28Å; P411-T414 WeakPolarHBondContact CD-OG1 3.22Å; P411-T414 WeakPolarHBondContact O-CB 3.26Å; P411-T414 PolarHBondContact O-N 2.93Å; P411-T414 VanDerWaalsContact O-N 3.07Å; P411-T414 PolarHBondContact O-OG1 2.78Å
412	S	48.1	Very low	57.7	Low	104 Å²	104	67.6 Å²	67.6	73%	0.727	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	125	168.2	-69.1	0	0	0	0	110.2
413	G	49.1	Very low	57.5	Low	71 Å²	71	70 Å²	70	73%	0.732	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.7	-2	-173.2	0	0	0	0	0	114.9	P411 Y415	P411-G413 PolarHBondContact O-N 3.36Å; G413-Y415 PolarHBondContact O-N 3.49Å
414	T	59.2	Low	56.9	Low	46 Å²	46	69.1 Å²	69.1	28%	0.282	43%	0.434	S	S	.	.			trans	-56.1	133.8	164.2	-61	0	0	0	0	110.3	L405 N410 P411	L405-T414 HydrophobicContact CD2-CG2 3.92Å; N410-T414 HydrophobicContact CB-CG2 4.47Å; P411-T414 VanDerWaalsContact CD-OG1 3.28Å; P411-T414 WeakPolarHBondContact CD-OG1 3.22Å; P411-T414 WeakPolarHBondContact O-CB 3.26Å; P411-T414 PolarHBondContact O-N 2.93Å; P411-T414 VanDerWaalsContact O-N 3.07Å; P411-T414 PolarHBondContact O-OG1 2.78Å
415	Y	67.9	Low	56.5	Low	105 Å²	105	75.7 Å²	75.7	41%	0.412	47%	0.469	S	S	.	.			trans	-143.2	161.1	-176.9	73.2	-86.5	0	0	0	111.5	M218 H390 S392 G413	M218-Y415 HydrophobicContact CE-CE2 4.34Å; H390-Y415 PolarHBondContact CE1-OH 3.46Å; S392-Y415 WeakPolarHBondContact OG-CE2 3.49Å; S392-Y415 PolarHBondContact OG-OH 3.39Å; G413-Y415 PolarHBondContact O-N 3.49Å
416	I	66.4	Low	55.5	Low	32 Å²	32	74.9 Å²	74.9	16%	0.164	48%	0.475	C	S	.	.			trans	-141.4	156.3	177.6	49.7	178	0	0	0	109.7	L362 F394 I396 A401 L405	L362-I416 HydrophobicContact CD1-CG2 3.53Å; F394-I416 HydrophobicContact CD2-CB 4.23Å; F394-I416 HydrophobicContact CD2-CG2 3.76Å; F394-I416 HydrophobicContact CE2-CG2 4.08Å; I396-I416 HydrophobicContact CD1-CD1 4.17Å; A401-I416 HydrophobicContact CB-CD1 3.42Å; A401-I416 VanDerWaalsContact CB-CD1 3.42Å; L405-I416 HydrophobicContact CD1-CD1 3.91Å; L405-I416 HydrophobicContact CD1-CG1 3.96Å; L405-I416 HydrophobicContact CD2-CD1 4.39Å; L405-I416 HydrophobicContact CD2-CG1 4.17Å; L405-I416 HydrophobicContact CD2-CG2 4.49Å; L405-I416 HydrophobicContact CG-CD1 3.85Å; L405-I416 HydrophobicContact CG-CG1 4.09Å
417	I	69.7	Low	55	Low	28 Å²	28	77 Å²	77	14%	0.144	49%	0.486	C	S	.	.	B	Isolated β-bridge	trans	-117.8	133.4	174.3	-47.9	177.6	0	0	0	106.4	L387 H390 S392 W393 F394	L387-I417 HydrophobicContact CD1-CD1 4.24Å; L387-I417 HydrophobicContact CD1-CG2 4.47Å; L387-I417 HydrophobicContact CD2-CG2 4.21Å; L387-I417 HydrophobicContact CG-CG2 4.31Å; H390-I417 HydrophobicContact CB-CD1 4.16Å; S392-I417 PolarHBondContact O-N 2.78Å; W393-I417 CarbonylContact C-O 3.52Å; W393-I417 WeakPolarHBondContact CA-O 3.39Å; W393-I417 HydrophobicContact CE3-CB 4.18Å; W393-I417 HydrophobicContact CE3-CG2 3.63Å; W393-I417 HydrophobicContact CZ3-CG2 3.92Å; F394-I417 PolarHBondContact N-O 3.08Å
418	R	72	Confident	54.9	Low	68 Å²	68	77.9 Å²	77.9	26%	0.257	50%	0.502	S	S	.	.			trans	-146.2	165.7	-178.7	62.6	159.3	178.3	96.7	-5.9	111.1	F394 I396 D397 S421	F394-R418 WeakPolarHBondContact O-CA 3.37Å; F394-R418 VanDerWaalsContact O-CB 3.3Å; F394-R418 WeakPolarHBondContact O-CB 3.4Å; I396-R418 HydrophobicContact CG1-CB 4.32Å; I396-R418 VanDerWaalsContact O-CD 3.26Å; I396-R418 WeakPolarHBondContact O-CD 3.04Å; D397-R418 WeakPolarHBondContact O-CD 3.45Å; R418-S421 PolarHBondContact NH1-OG 2.75Å
419	P	69	Low	54.8	Low	44 Å²	44	78.1 Å²	78.1	29%	0.286	51%	0.512	S	S	.	.			trans	-55.1	150.6	166.7	-23.7	33.8	0	0	0	112.7	W393 D395	W393-P419 HydrophobicContact CH2-CG 4.13Å; W393-P419 HydrophobicContact CZ2-CG 3.83Å; D395-P419 WeakPolarHBondContact OD1-CG 3.42Å
420	S	68.1	Low	54.8	Low	35 Å²	35	79.1 Å²	79.1	25%	0.245	51%	0.505	C	S	.	.			trans	-71.8	134.3	168.4	-178.3	0	0	0	0	109.8	V422 N423	S420-V422 VanDerWaalsContact C-N 3.27Å; S420-V422 PolarHBondContact OG-N 3.24Å; S420-N423 WeakPolarHBondContact CB-O 3.12Å; S420-N423 PolarHBondContact OG-N 3.21Å; S420-N423 VanDerWaalsContact OG-N 3.16Å
421	S	64	Low	54.6	Low	73 Å²	73	84.5 Å²	84.5	51%	0.51	53%	0.533	S	S	.	.	S	Bend	trans	-91.1	12.9	177.6	56.3	0	0	0	0	112.7	R418	R418-S421 PolarHBondContact NH1-OG 2.75Å
422	V	58.6	Low	54.6	Low	123 Å²	123	86.2 Å²	86.2	75%	0.745	54%	0.542	S	S	*	.	S	Bend	trans	-136.3	-39.8	-175	-172.3	0	0	0	0	111.4	S420	S420-V422 VanDerWaalsContact C-N 3.27Å; S420-V422 PolarHBondContact OG-N 3.24Å
423	N	57.5	Low	54.1	Low	99 Å²	99	86 Å²	86	53%	0.529	54%	0.537	S	S	.	.			trans	-112.1	117.4	-178.3	-62.3	17.7	0	0	0	109.9	S420 D425 G426	S420-N423 WeakPolarHBondContact CB-O 3.12Å; S420-N423 PolarHBondContact OG-N 3.21Å; S420-N423 VanDerWaalsContact OG-N 3.16Å; N423-D425 PolarHBondContact O-N 2.97Å; N423-G426 PolarHBondContact O-N 2.64Å
424	A	49.1	Very low	54	Low	103 Å²	103	86.9 Å²	86.9	85%	0.851	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-28.5	176.5	0	0	0	0	0	112.8	G426	A424-G426 PolarHBondContact O-N 2.69Å; A424-G426 VanDerWaalsContact O-N 3.12Å
425	D	49	Very low	53.2	Low	147 Å²	147	90.5 Å²	90.5	79%	0.786	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	12.2	-173.9	-47.3	-53.7	0	0	0	114.5	N423 I427	N423-D425 PolarHBondContact O-N 2.97Å; D425-I427 PolarHBondContact O-N 3.27Å
426	G	36.5	Very low	52	Low	45 Å²	45	89.1 Å²	89.1	46%	0.464	54%	0.542	S	S	.	.			trans	74.9	-1.8	146.5	0	0	0	0	0	120.1	N423 A424	N423-G426 PolarHBondContact O-N 2.64Å; A424-G426 PolarHBondContact O-N 2.69Å; A424-G426 VanDerWaalsContact O-N 3.12Å
427	I	43	Very low	51	Low	115 Å²	115	94.6 Å²	94.6	59%	0.59	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-86.6	140.4	178	-51.8	-178.8	0	0	0	111.2	V210 D425	V210-I427 HydrophobicContact CG1-CD1 4.37Å; D425-I427 PolarHBondContact O-N 3.27Å
428	A	47.7	Very low	50.1	Low	80 Å²	80	98.4 Å²	98.4	66%	0.661	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-62.2	132.3	-176.1	0	0	0	0	0	113.3
429	C	40.1	Very low	48.9	Very low	98 Å²	98	99 Å²	99	66%	0.662	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-90	143.4	174.4	59.7	0	0	0	0	112.1
430	C	42.8	Very low	48.1	Very low	101 Å²	101	104.8 Å²	104.8	68%	0.682	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-63.3	139.4	166.9	-67.2	0	0	0	0	111	T432	C430-T432 PolarHBondContact O-N 3.43Å; C430-T432 VanDerWaalsContact O-N 3.14Å
431	L	46.2	Very low	47.2	Very low	164 Å²	164	104.1 Å²	104.1	86%	0.859	61%	0.607	S	S	*	*			trans	-69.6	106.6	169	-64.6	174.3	0	0	0	108.8
432	T	42.1	Very low	46.6	Very low	130 Å²	130	102.8 Å²	102.8	80%	0.798	60%	0.596	S	S	*	*			trans	-75.5	-28.2	-177.1	50.9	0	0	0	0	113.3	C430	C430-T432 PolarHBondContact O-N 3.43Å; C430-T432 VanDerWaalsContact O-N 3.14Å
433	T	39.4	Very low	46.3	Very low	100 Å²	100	102.8 Å²	102.8	61%	0.613	60%	0.597	S	S	*	*	S	Bend	trans	-135.5	140.8	178	46.6	0	0	0	0	110.5	Y435	T433-Y435 PolarHBondContact O-N 3.03Å
434	P	45.6	Very low	46.1	Very low	89 Å²	89	103.4 Å²	103.4	58%	0.578	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-61.2	128.4	163.4	-19.3	32.1	0	0	0	109.4	W110	W110-P434 HydrophobicContact CH2-CG 3.49Å; W110-P434 VanDerWaalsContact CH2-CG 3.49Å; W110-P434 HydrophobicContact CZ2-CG 4.22Å; W110-P434 HydrophobicContact CZ3-CG 3.84Å
435	Y	43.2	Very low	46.6	Very low	122 Å²	122	98.5 Å²	98.5	48%	0.478	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-71	131.7	169.9	-167.1	-101.9	0	0	0	109.6	E402 T433 K437	E402-Y435 HydrophobicContact CG-CD1 4.37Å; E402-Y435 HydrophobicContact CG-CE1 4.07Å; E402-Y435 WeakPolarHBondContact OE1-CE1 3.26Å; E402-Y435 PolarHBondContact OE1-OH 3.06Å; E402-Y435 WeakPolarHBondContact OE2-CE1 3.32Å; E402-Y435 VanDerWaalsContact OE2-CZ 3.22Å; E402-Y435 PolarHBondContact OE2-OH 3.07Å; T433-Y435 PolarHBondContact O-N 3.03Å; Y435-K437 PolarHBondContact O-N 2.92Å
436	P	43.1	Very low	46.9	Very low	75 Å²	75	95 Å²	95	49%	0.487	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-63	126.3	-179	25.6	-33.8	0	0	0	110.1	N438	P436-N438 PolarHBondContact O-N 3.15Å
437	K	45.6	Very low	48.5	Very low	147 Å²	147	98.1 Å²	98.1	64%	0.639	55%	0.548	S	S	*	.			trans	-77.6	63.4	176.3	-70	-164.9	174	-166.8	0	111.4	L406 Y435 Y439	L406-K437 HydrophobicContact CD2-CG 4.43Å; Y435-K437 PolarHBondContact O-N 2.92Å; K437-Y439 PolarHBondContact O-N 2.77Å
438	N	49.2	Very low	50.5	Low	109 Å²	109	94.5 Å²	94.5	58%	0.583	53%	0.53	S	S	*	.			trans	-70.6	107	163.7	-69.1	-1.1	0	0	0	107	P436 E440	P436-N438 PolarHBondContact O-N 3.15Å; N438-E440 PolarHBondContact O-N 3.03Å
439	Y	48	Very low	52.5	Low	79 Å²	79	93.5 Å²	93.5	31%	0.31	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-71.6	121.1	169.3	170.9	-102	0	0	0	108.2	M408 K437 P441 R513 L515	M408-Y439 HydrophobicContact CG-CE2 4.21Å; M408-Y439 HydrophobicContact SD-CE2 3.79Å; K437-Y439 PolarHBondContact O-N 2.77Å; Y439-P441 HydrophobicContact CE1-CB 3.9Å; Y439-R513 PolarHBondContact O-NH1 2.8Å; Y439-L515 HydrophobicContact CE1-CD2 4.29Å
440	E	51.4	Low	54.9	Low	167 Å²	167	89.9 Å²	89.9	78%	0.78	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-97.1	125.3	163.8	-64.9	-168.2	161.9	0	0	108.3	N438	N438-E440 PolarHBondContact O-N 3.03Å
441	P	48.4	Very low	57.2	Low	20 Å²	20	89.4 Å²	89.4	13%	0.13	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-68.4	154.2	175	31.2	-35.3	0	0	0	109.8	Y439 L445 L515	Y439-P441 HydrophobicContact CE1-CB 3.9Å; P441-L445 HydrophobicContact CB-CB 3.99Å; P441-L515 HydrophobicContact CB-CD2 4.21Å
442	P	53.1	Low	59.4	Low	46 Å²	46	82.3 Å²	82.3	30%	0.299	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-49.6	143	171.9	-27.1	34.3	0	0	0	112	E444 L445 W474 V478	P442-E444 PolarHBondContact O-N 3.34Å; P442-L445 WeakPolarHBondContact O-CA 3.41Å; P442-L445 WeakPolarHBondContact O-CB 3.4Å; P442-L445 PolarHBondContact O-N 3.36Å; P442-W474 HydrophobicContact CB-CE3 4.49Å; P442-W474 HydrophobicContact CB-CH2 3.78Å; P442-W474 HydrophobicContact CB-CZ3 3.54Å; P442-W474 HydrophobicContact CG-CE3 4.3Å; P442-W474 HydrophobicContact CG-CH2 4.43Å; P442-W474 HydrophobicContact CG-CZ3 3.7Å; P442-V478 HydrophobicContact CG-CG2 4.03Å
443	T	52.2	Low	61.8	Low	123 Å²	123	82.4 Å²	82.4	76%	0.755	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-55.3	-29.8	-164.9	-38.8	0	0	0	0	114.6	L445 S446	T443-L445 VanDerWaalsContact C-N 3.34Å; T443-L445 PolarHBondContact O-N 2.9Å; T443-S446 VanDerWaalsContact O-CB 3.29Å; T443-S446 WeakPolarHBondContact O-CB 3.37Å; T443-S446 PolarHBondContact O-N 3.03Å; T443-S446 VanDerWaalsContact O-N 3.13Å; T443-S446 PolarHBondContact O-OG 3.09Å
444	E	51.6	Low	64.2	Low	111 Å²	111	80 Å²	80	52%	0.519	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-67.6	-28.9	175.4	-72.4	175	-166.7	0	0	113.6	P442 S446 L447 W474 N475	P442-E444 PolarHBondContact O-N 3.34Å; E444-S446 PolarHBondContact O-N 2.86Å; E444-L447 PolarHBondContact O-N 3.44Å; E444-W474 HydrophobicContact CB-CH2 3.92Å; E444-W474 HydrophobicContact CB-CZ2 3.53Å; E444-W474 HydrophobicContact CG-CZ2 4.42Å; E444-W474 VanDerWaalsContact OE2-CZ2 3.25Å; E444-W474 WeakPolarHBondContact OE2-CZ2 3.31Å; E444-N475 PolarHBondContact OE2-ND2 3.32Å
445	L	59.6	Low	66.4	Low	0 Å²	0	76.5 Å²	76.5	0%	0	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-81.2	15.1	171	-72.9	171.1	0	0	0	112.8	P441 P442 T443 F455 W474 A516	P441-L445 HydrophobicContact CB-CB 3.99Å; P442-L445 WeakPolarHBondContact O-CA 3.41Å; P442-L445 WeakPolarHBondContact O-CB 3.4Å; P442-L445 PolarHBondContact O-N 3.36Å; T443-L445 VanDerWaalsContact C-N 3.34Å; T443-L445 PolarHBondContact O-N 2.9Å; L445-F455 HydrophobicContact CD2-CZ 4.26Å; L445-W474 HydrophobicContact CD1-CB 4.38Å; L445-W474 HydrophobicContact CD1-CD2 3.65Å; L445-W474 HydrophobicContact CD1-CE3 3.89Å; L445-W474 HydrophobicContact CD1-CG 3.88Å; L445-W474 HydrophobicContact CD1-CZ3 4.49Å; L445-W474 HydrophobicContact CD2-CD2 4.38Å; L445-W474 HydrophobicContact CD2-CG 4.22Å; L445-W474 HydrophobicContact CG-CD2 3.9Å; L445-W474 HydrophobicContact CG-CE3 4.42Å; L445-W474 HydrophobicContact CG-CG 4.21Å; L445-W474 HydrophobicContact CG-CZ2 4.14Å; L445-A516 HydrophobicContact CD2-CB 4.13Å
446	S	56.5	Low	68.8	Low	75 Å²	75	71.8 Å²	71.8	52%	0.524	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-86.8	-10.7	160.7	72.3	0	0	0	0	112.9	T443 E444	T443-S446 VanDerWaalsContact O-CB 3.29Å; T443-S446 WeakPolarHBondContact O-CB 3.37Å; T443-S446 PolarHBondContact O-N 3.03Å; T443-S446 VanDerWaalsContact O-N 3.13Å; T443-S446 PolarHBondContact O-OG 3.09Å; E444-S446 PolarHBondContact O-N 2.86Å
447	L	69.9	Low	71.2	Confident	109 Å²	109	72 Å²	72	57%	0.571	38%	0.376	S	S	*	.	S	Bend	trans	-79.1	121.9	169.6	-61.5	172.1	0	0	0	108.8	E444 E449 V450	E444-L447 PolarHBondContact O-N 3.44Å; L447-E449 VanDerWaalsContact C-N 3.3Å; L447-E449 PolarHBondContact O-N 3.41Å; L447-V450 HydrophobicContact CB-CG1 4.12Å; L447-V450 WeakPolarHBondContact O-CG1 3.25Å
448	L	84.6	Confident	73.5	Confident	40 Å²	40	69.6 Å²	69.6	21%	0.209	37%	0.369	C	S	.	.	S	Bend	trans	-57	-43.6	179	174.8	63.6	0	0	0	112.1	A500 E501 H504 A516 V517	L448-A500 HydrophobicContact CD1-CB 4.12Å; L448-A500 WeakPolarHBondContact CD1-O 3.4Å; L448-E501 HydrophobicContact CD2-CB 3.7Å; L448-E501 HydrophobicContact CD2-CG 4.06Å; L448-H504 HydrophobicContact CD1-CB 3.66Å; L448-A516 CarbonylContact O-C 3.55Å; L448-A516 WeakPolarHBondContact O-CA 2.96Å; L448-V517 HydrophobicContact CG-CG2 4.48Å; L448-V517 WeakPolarHBondContact O-CG2 3.05Å; L448-V517 PolarHBondContact O-N 3.13Å
449	E	90.1	Very high	75.7	Confident	58 Å²	58	69.1 Å²	69.1	27%	0.271	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-109.8	130.6	176	-178.8	167	-141.5	0	0	110.7	L447 R493 V517 T519	L447-E449 VanDerWaalsContact C-N 3.3Å; L447-E449 PolarHBondContact O-N 3.41Å; E449-R493 IonicContact OE1-CZ 2.76Å; E449-R493 IonicContact OE1-NH2 3.78Å; E449-R493 PolarHBondContact OE1-NH2 2.91Å; E449-R493 IonicContact OE2-CZ 3.31Å; E449-R493 IonicContact OE2-NH2 3.37Å; E449-R493 PolarHBondContact OE2-NH2 3.31Å; E449-V517 WeakPolarHBondContact CA-O 3.47Å; E449-V517 HydrophobicContact CB-CG2 4.5Å; E449-T519 WeakPolarHBondContact OE1-CB 3.28Å; E449-T519 PolarHBondContact OE1-N 3.45Å; E449-T519 PolarHBondContact OE1-OG1 3.05Å
450	V	90.3	Very high	77.9	Confident	22 Å²	22	68.8 Å²	68.8	13%	0.133	36%	0.362	C	S	.	.			trans	-132.9	163	-174.5	-68.2	0	0	0	0	111.6	L447 R452 F455 A516 V517	L447-V450 HydrophobicContact CB-CG1 4.12Å; L447-V450 WeakPolarHBondContact O-CG1 3.25Å; V450-R452 PolarHBondContact O-N 2.71Å; V450-F455 HydrophobicContact CG2-CE2 3.61Å; V450-F455 HydrophobicContact CG2-CZ 3.93Å; V450-A516 HydrophobicContact CB-CB 4.48Å; V450-A516 HydrophobicContact CG1-CB 4.08Å; V450-A516 HydrophobicContact CG2-CB 3.58Å; V450-V517 PolarHBondContact N-O 3.31Å
451	N	90.8	Very high	79.7	Confident	92 Å²	92	64.5 Å²	64.5	49%	0.492	34%	0.344	S	S	.	.			trans	-72.9	127.3	177.9	-170	-25.1	0	0	0	111	N453 N454	N451-N453 PolarHBondContact O-N 2.97Å; N451-N453 VanDerWaalsContact O-N 3.17Å; N451-N453 WeakPolarHBondContact OD1-CB 3.38Å; N451-N453 PolarHBondContact OD1-N 2.91Å; N451-N454 WeakPolarHBondContact O-CB 3.47Å; N451-N454 PolarHBondContact O-N 3.4Å; N451-N454 VanDerWaalsContact O-N 3.11Å
452	R	92.4	Very high	81.5	Confident	14 Å²	14	64.5 Å²	64.5	5%	0.053	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-58	-26.9	177.2	65.4	178.6	59.8	-127.9	-7.6	113.8	V450 N454 F455 C518 L520 E524 P525 Y527	V450-R452 PolarHBondContact O-N 2.71Å; R452-N454 PolarHBondContact O-N 3.35Å; R452-F455 PolarHBondContact O-N 3.26Å; R452-F455 VanDerWaalsContact O-N 3.13Å; R452-C518 HydrophobicContact CB-CB 4.09Å; R452-L520 PolarHBondContact NE-O 3.23Å; R452-L520 PolarHBondContact NH2-O 2.92Å; R452-L520 VanDerWaalsContact NH2-O 3.09Å; R452-E524 WeakPolarHBondContact CD-OE2 2.98Å; R452-E524 IonicContact CZ-OE2 3.61Å; R452-E524 VanDerWaalsContact CZ-OE2 3.31Å; R452-E524 IonicContact NE-OE2 3.62Å; R452-E524 PolarHBondContact NE-OE2 3.25Å; R452-E524 VanDerWaalsContact NH1-CB 3.33Å; R452-E524 IonicContact NH1-OE2 2.73Å; R452-E524 PolarHBondContact NH1-OE2 2.85Å; R452-P525 PolarHBondContact NH1-O 3.3Å; R452-P525 PolarHBondContact NH2-O 3.41Å; R452-Y527 HydrophobicContact CB-CD2 4.19Å; R452-Y527 HydrophobicContact CB-CE2 3.92Å
453	N	92	Very high	83	Confident	133 Å²	133	66.8 Å²	66.8	71%	0.711	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-68.1	-15.9	179.8	-63.9	-6.5	0	0	0	113	N451 F455	N451-N453 PolarHBondContact O-N 2.97Å; N451-N453 VanDerWaalsContact O-N 3.17Å; N451-N453 WeakPolarHBondContact OD1-CB 3.38Å; N451-N453 PolarHBondContact OD1-N 2.91Å; N453-F455 PolarHBondContact O-N 3.43Å
454	N	90.4	Very high	83.9	Confident	50 Å²	50	62.8 Å²	62.8	27%	0.267	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-75.8	-1.3	174.8	-64.2	30.7	0	0	0	112.2	N451 R452 W474 N475	N451-N454 WeakPolarHBondContact O-CB 3.47Å; N451-N454 PolarHBondContact O-N 3.4Å; N451-N454 VanDerWaalsContact O-N 3.11Å; R452-N454 PolarHBondContact O-N 3.35Å; N454-W474 WeakPolarHBondContact O-CA 3.37Å; N454-N475 WeakPolarHBondContact CB-OD1 3.19Å; N454-N475 PolarHBondContact ND2-OD1 3.28Å; N454-N475 PolarHBondContact O-N 3.39Å
455	F	92.2	Very high	84.7	Confident	14 Å²	14	62.5 Å²	62.5	6%	0.061	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	118.9	-176.6	-63.7	-81.1	0	0	0	113.9	L445 V450 R452 N453 T473 W474 V480 I482 I529	L445-F455 HydrophobicContact CD2-CZ 4.26Å; V450-F455 HydrophobicContact CG2-CE2 3.61Å; V450-F455 HydrophobicContact CG2-CZ 3.93Å; R452-F455 PolarHBondContact O-N 3.26Å; R452-F455 VanDerWaalsContact O-N 3.13Å; N453-F455 PolarHBondContact O-N 3.43Å; F455-T473 CarbonylContact C-O 3.56Å; F455-T473 VanDerWaalsContact CA-O 3.24Å; F455-T473 WeakPolarHBondContact CA-O 3.15Å; F455-W474 HydrophobicContact CD1-CB 4.1Å; F455-W474 HydrophobicContact CE1-CB 3.74Å; F455-W474 AromaticContact CE1-CD1 3.54Å; F455-W474 HydrophobicContact CE1-CG 4.01Å; F455-W474 AromaticContact CZ-CD1 3.51Å; F455-W474 HydrophobicContact CZ-CG 4.35Å; F455-V480 HydrophobicContact CD1-CG2 3.96Å; F455-V480 HydrophobicContact CE1-CG2 4.14Å; F455-I482 HydrophobicContact CB-CD1 3.88Å; F455-I482 HydrophobicContact CD1-CD1 4.32Å; F455-I482 HydrophobicContact CD1-CG1 4.49Å; F455-I482 HydrophobicContact CG-CD1 4.41Å; F455-I529 HydrophobicContact CD1-CD1 4.05Å; F455-I529 HydrophobicContact CD1-CG2 4.43Å; F455-I529 HydrophobicContact CD2-CD1 4.25Å; F455-I529 HydrophobicContact CE1-CB 4.35Å; F455-I529 HydrophobicContact CE1-CD1 3.83Å; F455-I529 HydrophobicContact CE1-CG1 3.92Å; F455-I529 HydrophobicContact CE1-CG2 3.53Å; F455-I529 HydrophobicContact CE2-CD1 4.06Å; F455-I529 HydrophobicContact CE2-CG1 4.07Å; F455-I529 HydrophobicContact CG-CD1 4.24Å; F455-I529 HydrophobicContact CZ-CB 4.31Å; F455-I529 HydrophobicContact CZ-CD1 3.84Å; F455-I529 HydrophobicContact CZ-CG1 3.61Å; F455-I529 HydrophobicContact CZ-CG2 3.91Å
456	G	92.6	Very high	85.2	Confident	23 Å²	23	63.4 Å²	63.4	24%	0.237	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	131.9	170	0	0	0	0	0	111.3	G472 T473	G456-G472 CarbonylContact O-C 3.53Å; G456-G472 WeakPolarHBondContact O-CA 3.45Å; G456-T473 PolarHBondContact N-O 3.16Å; G456-T473 PolarHBondContact O-N 2.82Å
457	F	94.4	Very high	86.4	Confident	80 Å²	80	60 Å²	60	35%	0.351	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	124.2	175.3	-72.1	-100.3	0	0	0	110.5	W470 I482 Y527	F457-W470 HydrophobicContact CB-CE3 4.19Å; F457-W470 HydrophobicContact CD1-CB 3.68Å; F457-W470 AromaticContact CD1-CD2 3.65Å; F457-W470 HydrophobicContact CD1-CD2 3.65Å; F457-W470 AromaticContact CD1-CE3 3.85Å; F457-W470 HydrophobicContact CD1-CE3 3.85Å; F457-W470 AromaticContact CD1-CG 3.59Å; F457-W470 HydrophobicContact CD1-CG 3.59Å; F457-W470 HydrophobicContact CE1-CB 3.99Å; F457-W470 HydrophobicContact CE1-CD2 4.25Å; F457-W470 AromaticContact CE1-CG 3.85Å; F457-W470 HydrophobicContact CE1-CG 3.85Å; F457-I482 HydrophobicContact CD1-CD1 4.22Å; F457-I482 HydrophobicContact CD2-CD1 4.49Å; F457-I482 HydrophobicContact CE1-CB 4.22Å; F457-I482 HydrophobicContact CE1-CD1 4.08Å; F457-I482 HydrophobicContact CE1-CG2 3.83Å; F457-I482 HydrophobicContact CE2-CD1 4.35Å; F457-I482 HydrophobicContact CG-CD1 4.42Å; F457-I482 HydrophobicContact CZ-CD1 4.15Å; F457-I482 HydrophobicContact CZ-CG2 3.82Å; F457-Y527 HydrophobicContact CE2-CE2 4.03Å; F457-Y527 HydrophobicContact CZ-CD2 4.4Å; F457-Y527 HydrophobicContact CZ-CE1 4.4Å; F457-Y527 AromaticContact CZ-CE2 3.77Å; F457-Y527 HydrophobicContact CZ-CE2 3.77Å; F457-Y527 AromaticContact CZ-CZ 3.78Å
458	I	94.1	Very high	87.4	Confident	96 Å²	96	56.5 Å²	56.5	49%	0.492	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-54.8	178.6	-61.7	165.3	0	0	0	111.4	H471 T473	I458-H471 WeakPolarHBondContact CA-O 3.38Å; I458-H471 WeakPolarHBondContact CB-O 3.18Å; I458-H471 PolarHBondContact N-O 2.79Å; I458-T473 HydrophobicContact CD1-CG2 3.83Å
459	K	94.3	Very high	87.8	Confident	100 Å²	100	56.7 Å²	56.7	44%	0.435	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	130.5	-170.3	172.9	176	175.8	-178.3	0	111.5	L461 W470 H471	K459-L461 PolarHBondContact O-N 3.41Å; K459-W470 CarbonylContact O-C 3.6Å; K459-W470 WeakPolarHBondContact O-CA 3.43Å; K459-H471 PolarHBondContact N-O 3.11Å; K459-H471 VanDerWaalsContact N-O 3.07Å; K459-H471 PolarHBondContact O-N 3.29Å
460	K	94.6	Very high	88.1	Confident	71 Å²	71	56.8 Å²	56.8	31%	0.309	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	124.3	167.8	-171.3	169.1	172	174.7	0	109.7	E468 W470	K460-E468 WeakPolarHBondContact CE-OE1 3.38Å; K460-E468 IonicContact NZ-OE1 2.7Å; K460-E468 PolarHBondContact NZ-OE1 2.87Å; K460-W470 HydrophobicContact CB-CD2 3.88Å; K460-W470 HydrophobicContact CB-CE3 3.92Å; K460-W470 HydrophobicContact CB-CH2 4.06Å; K460-W470 HydrophobicContact CB-CZ2 4.04Å; K460-W470 HydrophobicContact CB-CZ3 4.01Å; K460-W470 HydrophobicContact CD-CZ2 4.06Å; K460-W470 HydrophobicContact CG-CD2 4.35Å; K460-W470 HydrophobicContact CG-CZ2 4.33Å; K460-W470 VanDerWaalsContact N-CE3 3.25Å
461	L	90.2	Very high	88.3	Confident	78 Å²	78	57.9 Å²	57.9	41%	0.408	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-30.4	179.5	-67.5	175	0	0	0	112.1	K459 V469 H471 L532	K459-L461 PolarHBondContact O-N 3.41Å; L461-V469 HydrophobicContact CB-CG1 4.37Å; L461-V469 HydrophobicContact CD1-CG1 4.29Å; L461-V469 PolarHBondContact N-O 3.29Å; L461-H471 HydrophobicContact CD1-CB 3.96Å; L461-H471 HydrophobicContact CD2-CB 4.03Å; L461-H471 HydrophobicContact CG-CB 3.94Å; L461-L532 HydrophobicContact CD1-CD1 3.88Å
462	G	85.3	Confident	88.4	Confident	20 Å²	20	53.5 Å²	53.5	21%	0.206	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.8	-178	178.6	0	0	0	0	0	112.8	V469	G462-V469 PolarHBondContact N-O 3.04Å; G462-V469 PolarHBondContact O-N 3.5Å
463	Q	84.1	Confident	88.5	Confident	93 Å²	93	53.8 Å²	53.8	44%	0.435	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	146.6	174.6	-176	170.7	-17.3	0	0	108.7	E468	Q463-E468 HydrophobicContact CG-CG 4.47Å
464	G	72.2	Confident	88.3	Confident	40 Å²	40	48.2 Å²	48.2	41%	0.412	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	-178.8	175.9	0	0	0	0	0	111.2	F466 G467	G464-F466 PolarHBondContact O-N 2.78Å; G464-G467 PolarHBondContact N-O 3.41Å; G464-G467 PolarHBondContact O-N 3.42Å
465	S	68.2	Low	88.1	Confident	104 Å²	104	48.7 Å²	48.7	73%	0.727	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-21.1	-172.9	-42.2	0	0	0	0	115.3
466	F	70.4	Confident	87.6	Confident	20 Å²	20	54.4 Å²	54.4	9%	0.088	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-17.1	-177.5	-52.9	-50.9	0	0	0	114.4	G464 L485 L486 A600 L603 Y609	G464-F466 PolarHBondContact O-N 2.78Å; F466-L485 VanDerWaalsContact O-CA 3.31Å; F466-L485 WeakPolarHBondContact O-CA 3.34Å; F466-L486 PolarHBondContact O-N 2.83Å; F466-A600 HydrophobicContact CZ-CB 4.31Å; F466-L603 HydrophobicContact CB-CD1 3.72Å; F466-L603 HydrophobicContact CD1-CD1 3.39Å; F466-L603 HydrophobicContact CE1-CD1 4.21Å; F466-L603 HydrophobicContact CG-CD1 3.8Å; F466-Y609 HydrophobicContact CD1-CE2 4.16Å; F466-Y609 AromaticContact CE1-CE2 3.78Å; F466-Y609 HydrophobicContact CE1-CE2 3.78Å; F466-Y609 AromaticContact CE1-CZ 3.96Å
467	G	81.3	Confident	87	Confident	2 Å²	2	56.5 Å²	56.5	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.9	172.8	-161.6	0	0	0	0	0	116.3	G464 K484	G464-G467 PolarHBondContact N-O 3.41Å; G464-G467 PolarHBondContact O-N 3.42Å; G467-K484 CarbonylContact C-O 3.5Å; G467-K484 WeakPolarHBondContact CA-O 3.26Å
468	E	90.4	Very high	86.5	Confident	37 Å²	37	53.3 Å²	53.3	17%	0.173	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	143.4	162.7	-55	-175.4	121.4	0	0	109.8	K460 Q463 W470 K483 K484	K460-E468 WeakPolarHBondContact CE-OE1 3.38Å; K460-E468 IonicContact NZ-OE1 2.7Å; K460-E468 PolarHBondContact NZ-OE1 2.87Å; Q463-E468 HydrophobicContact CG-CG 4.47Å; E468-W470 PolarHBondContact OE2-NE1 2.91Å; E468-K483 CarbonylContact O-C 3.45Å; E468-K483 WeakPolarHBondContact O-CA 3.47Å; E468-K484 PolarHBondContact N-O 3.35Å; E468-K484 PolarHBondContact O-N 2.81Å; E468-K484 IonicContact OE2-NZ 3.41Å
469	V	93.1	Very high	86.3	Confident	44 Å²	44	50.9 Å²	50.9	27%	0.267	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.3	170.3	-175	0	0	0	0	108.5	L461 G462 K483	L461-V469 HydrophobicContact CB-CG1 4.37Å; L461-V469 HydrophobicContact CD1-CG1 4.29Å; L461-V469 PolarHBondContact N-O 3.29Å; G462-V469 PolarHBondContact N-O 3.04Å; G462-V469 PolarHBondContact O-N 3.5Å; V469-K483 HydrophobicContact CG2-CD 4.47Å; V469-K483 HydrophobicContact CG2-CG 4.1Å
470	W	95.9	Very high	86.3	Confident	60 Å²	60	46.1 Å²	46.1	23%	0.227	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.4	-178.3	-68.3	78.4	0	0	0	110.9	F457 K459 K460 E468 A481 I482	F457-W470 HydrophobicContact CB-CE3 4.19Å; F457-W470 HydrophobicContact CD1-CB 3.68Å; F457-W470 AromaticContact CD1-CD2 3.65Å; F457-W470 HydrophobicContact CD1-CD2 3.65Å; F457-W470 AromaticContact CD1-CE3 3.85Å; F457-W470 HydrophobicContact CD1-CE3 3.85Å; F457-W470 AromaticContact CD1-CG 3.59Å; F457-W470 HydrophobicContact CD1-CG 3.59Å; F457-W470 HydrophobicContact CE1-CB 3.99Å; F457-W470 HydrophobicContact CE1-CD2 4.25Å; F457-W470 AromaticContact CE1-CG 3.85Å; F457-W470 HydrophobicContact CE1-CG 3.85Å; K459-W470 CarbonylContact O-C 3.6Å; K459-W470 WeakPolarHBondContact O-CA 3.43Å; K460-W470 HydrophobicContact CB-CD2 3.88Å; K460-W470 HydrophobicContact CB-CE3 3.92Å; K460-W470 HydrophobicContact CB-CH2 4.06Å; K460-W470 HydrophobicContact CB-CZ2 4.04Å; K460-W470 HydrophobicContact CB-CZ3 4.01Å; K460-W470 HydrophobicContact CD-CZ2 4.06Å; K460-W470 HydrophobicContact CG-CD2 4.35Å; K460-W470 HydrophobicContact CG-CZ2 4.33Å; K460-W470 VanDerWaalsContact N-CE3 3.25Å; E468-W470 PolarHBondContact OE2-NE1 2.91Å; W470-A481 CarbonylContact O-C 3.49Å; W470-A481 WeakPolarHBondContact O-CA 3.08Å; W470-I482 HydrophobicContact CB-CB 4.41Å; W470-I482 PolarHBondContact N-O 2.93Å; W470-I482 PolarHBondContact O-N 3.42Å
471	H	95.1	Very high	86.3	Confident	44 Å²	44	43.2 Å²	43.2	20%	0.204	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	129	158.1	172.6	-150.5	0	0	0	107.7	I458 K459 L461 L532	I458-H471 WeakPolarHBondContact CA-O 3.38Å; I458-H471 WeakPolarHBondContact CB-O 3.18Å; I458-H471 PolarHBondContact N-O 2.79Å; K459-H471 PolarHBondContact N-O 3.11Å; K459-H471 VanDerWaalsContact N-O 3.07Å; K459-H471 PolarHBondContact O-N 3.29Å; L461-H471 HydrophobicContact CD1-CB 3.96Å; L461-H471 HydrophobicContact CD2-CB 4.03Å; L461-H471 HydrophobicContact CG-CB 3.94Å; H471-L532 HydrophobicContact CB-CD1 4.17Å
472	G	94.2	Very high	86.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	-177.6	174.3	0	0	0	0	0	112.4	G456 P479 V480	G456-G472 CarbonylContact O-C 3.53Å; G456-G472 WeakPolarHBondContact O-CA 3.45Å; G472-P479 WeakPolarHBondContact O-CA 3.27Å; G472-V480 PolarHBondContact N-O 3.24Å; G472-V480 PolarHBondContact O-N 2.65Å
473	T	93	Very high	86.9	Confident	21 Å²	21	39.5 Å²	39.5	13%	0.129	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	145.4	169.8	48.6	0	0	0	0	110.6	F455 G456 I458 V478	F455-T473 CarbonylContact C-O 3.56Å; F455-T473 VanDerWaalsContact CA-O 3.24Å; F455-T473 WeakPolarHBondContact CA-O 3.15Å; G456-T473 PolarHBondContact N-O 3.16Å; G456-T473 PolarHBondContact O-N 2.82Å; I458-T473 HydrophobicContact CD1-CG2 3.83Å; T473-V478 CarbonylContact C-O 3.6Å; T473-V478 VanDerWaalsContact CA-O 3.29Å; T473-V478 WeakPolarHBondContact CA-O 3.4Å
474	W	88	Confident	87.3	Confident	16 Å²	16	38 Å²	38	6%	0.061	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	132.3	156.2	178.2	74.2	0	0	0	109.4	P442 E444 L445 N454 F455 N476 Q477 V478 V480	P442-W474 HydrophobicContact CB-CE3 4.49Å; P442-W474 HydrophobicContact CB-CH2 3.78Å; P442-W474 HydrophobicContact CB-CZ3 3.54Å; P442-W474 HydrophobicContact CG-CE3 4.3Å; P442-W474 HydrophobicContact CG-CH2 4.43Å; P442-W474 HydrophobicContact CG-CZ3 3.7Å; E444-W474 HydrophobicContact CB-CH2 3.92Å; E444-W474 HydrophobicContact CB-CZ2 3.53Å; E444-W474 HydrophobicContact CG-CZ2 4.42Å; E444-W474 VanDerWaalsContact OE2-CZ2 3.25Å; E444-W474 WeakPolarHBondContact OE2-CZ2 3.31Å; L445-W474 HydrophobicContact CD1-CB 4.38Å; L445-W474 HydrophobicContact CD1-CD2 3.65Å; L445-W474 HydrophobicContact CD1-CE3 3.89Å; L445-W474 HydrophobicContact CD1-CG 3.88Å; L445-W474 HydrophobicContact CD1-CZ3 4.49Å; L445-W474 HydrophobicContact CD2-CD2 4.38Å; L445-W474 HydrophobicContact CD2-CG 4.22Å; L445-W474 HydrophobicContact CG-CD2 3.9Å; L445-W474 HydrophobicContact CG-CE3 4.42Å; L445-W474 HydrophobicContact CG-CG 4.21Å; L445-W474 HydrophobicContact CG-CZ2 4.14Å; N454-W474 WeakPolarHBondContact O-CA 3.37Å; F455-W474 HydrophobicContact CD1-CB 4.1Å; F455-W474 HydrophobicContact CE1-CB 3.74Å; F455-W474 AromaticContact CE1-CD1 3.54Å; F455-W474 HydrophobicContact CE1-CG 4.01Å; F455-W474 AromaticContact CZ-CD1 3.51Å; F455-W474 HydrophobicContact CZ-CG 4.35Å; W474-N476 PolarHBondContact O-N 3.08Å; W474-Q477 PolarHBondContact O-N 3.34Å; W474-V478 HydrophobicContact CB-CB 4.32Å; W474-V478 HydrophobicContact CE3-CB 4.15Å; W474-V478 HydrophobicContact CE3-CG2 4.02Å; W474-V478 PolarHBondContact N-O 2.81Å; W474-V478 PolarHBondContact O-N 3.2Å; W474-V478 VanDerWaalsContact O-N 3.07Å; W474-V480 HydrophobicContact CB-CG1 4.25Å
475	N	85.7	Confident	88	Confident	60 Å²	60	36.4 Å²	36.4	32%	0.321	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	34.4	-177.1	-71.7	-5.8	0	0	0	114	E444 N454 Q477	E444-N475 PolarHBondContact OE2-ND2 3.32Å; N454-N475 WeakPolarHBondContact CB-OD1 3.19Å; N454-N475 PolarHBondContact ND2-OD1 3.28Å; N454-N475 PolarHBondContact O-N 3.39Å; N475-Q477 PolarHBondContact O-N 3.31Å; N475-Q477 VanDerWaalsContact O-N 3.13Å
476	N	82	Confident	88.2	Confident	134 Å²	134	36.2 Å²	36.2	72%	0.717	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	14.3	-174.7	-66.6	-43.9	0	0	0	116.4	W474	W474-N476 PolarHBondContact O-N 3.08Å
477	Q	80.6	Confident	88	Confident	67 Å²	67	36.8 Å²	36.8	31%	0.313	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.9	-48.3	-174.5	-65.9	-173.3	-9.8	0	0	114.2	M365 W474 N475 P479	M365-Q477 HydrophobicContact CE-CB 4.11Å; M365-Q477 HydrophobicContact CE-CG 3.87Å; W474-Q477 PolarHBondContact O-N 3.34Å; N475-Q477 PolarHBondContact O-N 3.31Å; N475-Q477 VanDerWaalsContact O-N 3.13Å; Q477-P479 WeakPolarHBondContact O-CD 3.37Å
478	V	83.8	Confident	86.7	Confident	13 Å²	13	40.2 Å²	40.2	8%	0.079	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	116.5	-174	172.1	0	0	0	0	109.8	M408 P442 T473 W474 V480	M408-V478 HydrophobicContact CE-CG1 4.27Å; M408-V478 HydrophobicContact SD-CB 4.49Å; M408-V478 HydrophobicContact SD-CG1 3.87Å; M408-V478 HydrophobicContact SD-CG2 4.22Å; P442-V478 HydrophobicContact CG-CG2 4.03Å; T473-V478 CarbonylContact C-O 3.6Å; T473-V478 VanDerWaalsContact CA-O 3.29Å; T473-V478 WeakPolarHBondContact CA-O 3.4Å; W474-V478 HydrophobicContact CB-CB 4.32Å; W474-V478 HydrophobicContact CE3-CB 4.15Å; W474-V478 HydrophobicContact CE3-CG2 4.02Å; W474-V478 PolarHBondContact N-O 2.81Å; W474-V478 PolarHBondContact O-N 3.2Å; W474-V478 VanDerWaalsContact O-N 3.07Å; V478-V480 HydrophobicContact CG1-CG1 4.18Å; V478-V480 PolarHBondContact O-N 3.13Å
479	P	90	Very high	84.8	Confident	44 Å²	44	41.4 Å²	41.4	29%	0.286	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	131.6	175.7	27.6	-34.1	0	0	0	111.1	M408 G472 Q477 L532	M408-P479 HydrophobicContact CE-CG 3.76Å; G472-P479 WeakPolarHBondContact O-CA 3.27Å; Q477-P479 WeakPolarHBondContact O-CD 3.37Å; P479-L532 HydrophobicContact CB-CD2 4.05Å
480	V	93.6	Very high	83	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	159.6	-177.6	-65.8	0	0	0	0	110.9	F455 G472 W474 V478 I482 L515 I529	F455-V480 HydrophobicContact CD1-CG2 3.96Å; F455-V480 HydrophobicContact CE1-CG2 4.14Å; G472-V480 PolarHBondContact N-O 3.24Å; G472-V480 PolarHBondContact O-N 2.65Å; W474-V480 HydrophobicContact CB-CG1 4.25Å; V478-V480 HydrophobicContact CG1-CG1 4.18Å; V478-V480 PolarHBondContact O-N 3.13Å; V480-I482 HydrophobicContact CG2-CD1 4.44Å; V480-I482 HydrophobicContact CG2-CG1 3.97Å; V480-L515 HydrophobicContact CG1-CD1 3.78Å; V480-I529 HydrophobicContact CB-CG2 3.99Å; V480-I529 HydrophobicContact CG1-CG2 4.08Å; V480-I529 HydrophobicContact CG2-CG2 4.26Å
481	A	95.3	Very high	81.5	Confident	10 Å²	10	43.6 Å²	43.6	8%	0.083	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.3	161.1	0	0	0	0	0	109.6	W470 I529 S530 L532	W470-A481 CarbonylContact O-C 3.49Å; W470-A481 WeakPolarHBondContact O-CA 3.08Å; A481-I529 WeakPolarHBondContact O-CA 3.2Å; A481-S530 PolarHBondContact N-O 3Å; A481-S530 PolarHBondContact O-N 2.86Å; A481-L532 HydrophobicContact CB-CD1 4.32Å
482	I	94.9	Very high	80.6	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	106.9	178.9	-52.3	171.2	0	0	0	107.1	F455 F457 W470 V480 Y527 I529	F455-I482 HydrophobicContact CB-CD1 3.88Å; F455-I482 HydrophobicContact CD1-CD1 4.32Å; F455-I482 HydrophobicContact CD1-CG1 4.49Å; F455-I482 HydrophobicContact CG-CD1 4.41Å; F457-I482 HydrophobicContact CD1-CD1 4.22Å; F457-I482 HydrophobicContact CD2-CD1 4.49Å; F457-I482 HydrophobicContact CE1-CB 4.22Å; F457-I482 HydrophobicContact CE1-CD1 4.08Å; F457-I482 HydrophobicContact CE1-CG2 3.83Å; F457-I482 HydrophobicContact CE2-CD1 4.35Å; F457-I482 HydrophobicContact CG-CD1 4.42Å; F457-I482 HydrophobicContact CZ-CD1 4.15Å; F457-I482 HydrophobicContact CZ-CG2 3.82Å; W470-I482 HydrophobicContact CB-CB 4.41Å; W470-I482 PolarHBondContact N-O 2.93Å; W470-I482 PolarHBondContact O-N 3.42Å; V480-I482 HydrophobicContact CG2-CD1 4.44Å; V480-I482 HydrophobicContact CG2-CG1 3.97Å; I482-Y527 HydrophobicContact CG2-CD2 4.08Å; I482-Y527 HydrophobicContact CG2-CG 4.02Å; I482-I529 HydrophobicContact CB-CD1 4.38Å; I482-I529 HydrophobicContact CG1-CD1 4.13Å; I482-I529 HydrophobicContact CG2-CD1 3.96Å
483	K	92.9	Very high	80.1	Confident	21 Å²	21	49.3 Å²	49.3	9%	0.091	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	103.6	172.9	-171	173.6	-160.6	176.9	0	109.3	E468 V469 L485 Y527 I528 D596 L599	E468-K483 CarbonylContact O-C 3.45Å; E468-K483 WeakPolarHBondContact O-CA 3.47Å; V469-K483 HydrophobicContact CG2-CD 4.47Å; V469-K483 HydrophobicContact CG2-CG 4.1Å; K483-L485 HydrophobicContact CD-CD2 4.36Å; K483-L485 HydrophobicContact CG-CD2 4.17Å; K483-Y527 WeakPolarHBondContact O-CA 3.33Å; K483-I528 HydrophobicContact CB-CB 4.34Å; K483-I528 PolarHBondContact N-O 3.01Å; K483-I528 PolarHBondContact O-N 2.79Å; K483-D596 IonicContact NZ-OD1 3.67Å; K483-D596 PolarHBondContact NZ-OD1 3.15Å; K483-D596 IonicContact NZ-OD2 2.94Å; K483-D596 PolarHBondContact NZ-OD2 3.11Å; K483-L599 HydrophobicContact CD-CD1 4.03Å
484	K	91.9	Very high	79.7	Confident	62 Å²	62	52.8 Å²	52.8	27%	0.27	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	109.3	178.7	173.7	175.5	178	-166.8	0	108.8	G467 E468 P525 Y527	G467-K484 CarbonylContact C-O 3.5Å; G467-K484 WeakPolarHBondContact CA-O 3.26Å; E468-K484 PolarHBondContact N-O 3.35Å; E468-K484 PolarHBondContact O-N 2.81Å; E468-K484 IonicContact OE2-NZ 3.41Å; K484-P525 HydrophobicContact CG-CB 3.99Å; K484-Y527 HydrophobicContact CB-CD1 4.01Å; K484-Y527 HydrophobicContact CB-CE1 4.13Å; K484-Y527 HydrophobicContact CD-CE1 4.02Å; K484-Y527 HydrophobicContact CG-CD1 4.03Å; K484-Y527 HydrophobicContact CG-CE1 3.75Å
485	L	86.9	Confident	79.5	Confident	5 Å²	5	58.9 Å²	58.9	3%	0.026	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	152.2	-175.9	-58.7	-176.8	0	0	0	111.8	F466 K483 M491 F496 T526 I528	F466-L485 VanDerWaalsContact O-CA 3.31Å; F466-L485 WeakPolarHBondContact O-CA 3.34Å; K483-L485 HydrophobicContact CD-CD2 4.36Å; K483-L485 HydrophobicContact CG-CD2 4.17Å; L485-M491 HydrophobicContact CD1-CE 3.96Å; L485-F496 HydrophobicContact CD1-CE2 3.93Å; L485-T526 HydrophobicContact CD1-CG2 4.11Å; L485-T526 PolarHBondContact N-O 3.39Å; L485-I528 HydrophobicContact CD1-CD1 4.25Å; L485-I528 HydrophobicContact CD2-CD1 4.48Å
486	L	73.7	Confident	79.5	Confident	100 Å²	100	56.1 Å²	56.1	52%	0.524	31%	0.306	S	S	.	.	S	Bend	trans	-88.1	128.5	168.8	-66.5	172	0	0	0	109.5	F466	F466-L486 PolarHBondContact O-N 2.83Å
487	G	66.1	Low	79.8	Confident	32 Å²	32	51.2 Å²	51.2	33%	0.33	28%	0.279	S	S	.	.			trans	109.7	119.8	177.9	0	0	0	0	0	112.9
488	N	53.9	Low	80.1	Confident	75 Å²	75	52.6 Å²	52.6	40%	0.401	29%	0.289	S	S	.	.	S	Bend	trans	-120.5	11.5	-172.2	-52	12	0	0	0	113.5	N523 P525	N488-N523 PolarHBondContact ND2-O 2.7Å; N488-N523 VanDerWaalsContact ND2-O 3.12Å; N488-P525 VanDerWaalsContact ND2-CD 3.31Å; N488-P525 WeakPolarHBondContact ND2-CD 3.44Å
489	G	50.6	Low	80.2	Confident	61 Å²	61	53.4 Å²	53.4	63%	0.629	29%	0.292	S	S	*	.	S	Bend	trans	-119.6	-61	-170.4	0	0	0	0	0	114.3
490	N	54.9	Low	80.1	Confident	111 Å²	111	51.4 Å²	51.4	59%	0.594	28%	0.278	S	S	*	.	S	Bend	trans	-101.7	3.2	-160.9	-63.4	-0.1	0	0	0	114.7	N492	N490-N492 PolarHBondContact O-N 2.78Å
491	M	64.8	Low	79.9	Confident	39 Å²	39	55.7 Å²	55.7	19%	0.192	30%	0.298	C	S	.	.			trans	-69.7	123.9	176.3	-179.8	177.3	-79.3	0	0	110.4	L485 R493 F496 L603	L485-M491 HydrophobicContact CD1-CE 3.96Å; M491-R493 PolarHBondContact O-N 2.92Å; M491-F496 HydrophobicContact CE-CD2 4.06Å; M491-F496 HydrophobicContact CE-CE2 4.49Å; M491-F496 HydrophobicContact CG-CB 4.21Å; M491-F496 HydrophobicContact SD-CB 3.91Å; M491-F496 HydrophobicContact SD-CD2 3.32Å; M491-F496 WeakPolarHBondContact SD-CD2 3.35Å; M491-F496 HydrophobicContact SD-CE2 4.03Å; M491-F496 HydrophobicContact SD-CG 3.72Å; M491-L603 HydrophobicContact CE-CD2 3.38Å; M491-L603 HydrophobicContact CE-CG 4.21Å
492	N	76.9	Confident	79.5	Confident	82 Å²	82	58.8 Å²	58.8	44%	0.439	31%	0.313	S	S	.	.			trans	-68.6	96.7	174.6	-175.6	-43.6	0	0	0	110	N490 T494 R495 F496	N490-N492 PolarHBondContact O-N 2.78Å; N492-T494 PolarHBondContact O-N 3.12Å; N492-T494 VanDerWaalsContact O-N 3.11Å; N492-T494 WeakPolarHBondContact OD1-CB 3.42Å; N492-T494 PolarHBondContact OD1-N 3.42Å; N492-R495 HydrophobicContact CB-CB 4.1Å; N492-R495 HydrophobicContact CB-CG 4.14Å; N492-R495 PolarHBondContact O-N 3.37Å; N492-R495 PolarHBondContact OD1-N 2.69Å; N492-F496 PolarHBondContact O-N 3.1Å
493	R	83.5	Confident	79.3	Confident	82 Å²	82	59 Å²	59	31%	0.309	32%	0.315	S	S	.	.	H	α-helix	trans	-50.8	-36	-178.1	-172.6	-178.4	-176.6	-90.1	-5.6	113.3	E449 M491 F496 L497 T519	E449-R493 IonicContact OE1-CZ 2.76Å; E449-R493 IonicContact OE1-NH2 3.78Å; E449-R493 PolarHBondContact OE1-NH2 2.91Å; E449-R493 IonicContact OE2-CZ 3.31Å; E449-R493 IonicContact OE2-NH2 3.37Å; E449-R493 PolarHBondContact OE2-NH2 3.31Å; M491-R493 PolarHBondContact O-N 2.92Å; R493-F496 PolarHBondContact O-N 3.23Å; R493-L497 HydrophobicContact CG-CD1 4.12Å; R493-L497 HydrophobicContact CG-CG 4.49Å; R493-L497 WeakPolarHBondContact O-CB 3.43Å; R493-L497 WeakPolarHBondContact O-CG 3.44Å; R493-L497 PolarHBondContact O-N 3.13Å; R493-T519 VanDerWaalsContact CZ-OG1 3.26Å; R493-T519 PolarHBondContact NE-OG1 3.48Å; R493-T519 PolarHBondContact NH2-OG1 3.43Å
494	T	84.2	Confident	79	Confident	95 Å²	95	59.8 Å²	59.8	58%	0.583	32%	0.318	S	S	*	.	H	α-helix	trans	-70.1	-44.2	177.8	-50.9	0	0	0	0	111.7	N492 F496 L497 N498	N492-T494 PolarHBondContact O-N 3.12Å; N492-T494 VanDerWaalsContact O-N 3.11Å; N492-T494 WeakPolarHBondContact OD1-CB 3.42Å; N492-T494 PolarHBondContact OD1-N 3.42Å; T494-F496 VanDerWaalsContact C-N 3.31Å; T494-F496 PolarHBondContact O-N 3.41Å; T494-L497 PolarHBondContact O-N 2.66Å; T494-N498 WeakPolarHBondContact O-CB 3.5Å; T494-N498 PolarHBondContact O-N 3.24Å; T494-N498 VanDerWaalsContact O-N 3.08Å; T494-N498 PolarHBondContact O-OD1 3.33Å
495	R	82.6	Confident	78.9	Confident	143 Å²	143	62.7 Å²	62.7	54%	0.54	33%	0.327	S	S	.	.	H	α-helix	trans	-61.1	-42.4	172.1	-70.7	-174.6	179.9	-178	1	111.1	N492 N498 E499 D605	N492-R495 HydrophobicContact CB-CB 4.1Å; N492-R495 HydrophobicContact CB-CG 4.14Å; N492-R495 PolarHBondContact O-N 3.37Å; N492-R495 PolarHBondContact OD1-N 2.69Å; R495-N498 PolarHBondContact O-N 2.68Å; R495-E499 PolarHBondContact O-N 3.24Å; R495-E499 VanDerWaalsContact O-N 3.08Å; R495-D605 IonicContact CZ-OD2 3.58Å; R495-D605 VanDerWaalsContact NH1-CG 3.33Å; R495-D605 IonicContact NH1-OD1 2.68Å; R495-D605 IonicContact NH1-OD2 3.82Å; R495-D605 PolarHBondContact NH1-OD2 3.24Å
496	F	85.9	Confident	79	Confident	3 Å²	3	62.6 Å²	62.6	1%	0.013	33%	0.327	C	S	.	.	H	α-helix	trans	-60.4	-49.4	177.9	-178.4	-89.7	0	0	0	112.8	L485 M491 N492 R493 T494 N498 E499 A500 V517 T519 T526 I528 L602	L485-F496 HydrophobicContact CD1-CE2 3.93Å; M491-F496 HydrophobicContact CE-CD2 4.06Å; M491-F496 HydrophobicContact CE-CE2 4.49Å; M491-F496 HydrophobicContact CG-CB 4.21Å; M491-F496 HydrophobicContact SD-CB 3.91Å; M491-F496 HydrophobicContact SD-CD2 3.32Å; M491-F496 WeakPolarHBondContact SD-CD2 3.35Å; M491-F496 HydrophobicContact SD-CE2 4.03Å; M491-F496 HydrophobicContact SD-CG 3.72Å; N492-F496 PolarHBondContact O-N 3.1Å; R493-F496 PolarHBondContact O-N 3.23Å; T494-F496 VanDerWaalsContact C-N 3.31Å; T494-F496 PolarHBondContact O-N 3.41Å; F496-N498 VanDerWaalsContact C-N 3.33Å; F496-N498 PolarHBondContact O-N 3.41Å; F496-E499 PolarHBondContact O-N 3.24Å; F496-A500 HydrophobicContact CE1-CB 4.36Å; F496-A500 VanDerWaalsContact O-CB 3.26Å; F496-A500 WeakPolarHBondContact O-CB 3.3Å; F496-A500 PolarHBondContact O-N 3.11Å; F496-V517 HydrophobicContact CE1-CB 3.93Å; F496-V517 HydrophobicContact CE1-CG1 3.9Å; F496-V517 HydrophobicContact CE1-CG2 4.07Å; F496-V517 HydrophobicContact CZ-CB 4.38Å; F496-V517 HydrophobicContact CZ-CG1 4.01Å; F496-T519 HydrophobicContact CD1-CG2 3.61Å; F496-T519 HydrophobicContact CE1-CG2 3.53Å; F496-T526 HydrophobicContact CD1-CG2 4.33Å; F496-T526 HydrophobicContact CE1-CG2 3.61Å; F496-T526 HydrophobicContact CE2-CG2 3.92Å; F496-T526 HydrophobicContact CZ-CG2 3.36Å; F496-I528 HydrophobicContact CE2-CD1 4.11Å; F496-I528 HydrophobicContact CE2-CG1 4.31Å; F496-I528 HydrophobicContact CZ-CD1 4.1Å; F496-I528 HydrophobicContact CZ-CG1 3.82Å; F496-L602 HydrophobicContact CB-CD2 4.41Å; F496-L602 HydrophobicContact CD2-CD1 3.82Å; F496-L602 HydrophobicContact CD2-CD2 4.25Å; F496-L602 HydrophobicContact CD2-CG 4.5Å; F496-L602 HydrophobicContact CE2-CD1 3.98Å
497	L	88.5	Confident	79.7	Confident	30 Å²	30	62.2 Å²	62.2	16%	0.157	33%	0.325	C	S	.	.	H	α-helix	trans	-66.1	-34.5	179.3	-71.9	173	0	0	0	112.5	R493 T494 A500 E501 V517 T519	R493-L497 HydrophobicContact CG-CD1 4.12Å; R493-L497 HydrophobicContact CG-CG 4.49Å; R493-L497 WeakPolarHBondContact O-CB 3.43Å; R493-L497 WeakPolarHBondContact O-CG 3.44Å; R493-L497 PolarHBondContact O-N 3.13Å; T494-L497 PolarHBondContact O-N 2.66Å; L497-A500 PolarHBondContact O-N 2.94Å; L497-E501 WeakPolarHBondContact O-CB 3.48Å; L497-E501 PolarHBondContact O-N 2.77Å; L497-V517 HydrophobicContact CD2-CG2 3.91Å; L497-T519 HydrophobicContact CD2-CG2 3.89Å; L497-T519 HydrophobicContact CG-CG2 4.46Å
498	N	87.4	Confident	80.9	Confident	97 Å²	97	63 Å²	63	52%	0.519	32%	0.321	S	S	.	.	H	α-helix	trans	-65.1	-46	175.8	-68.8	0.7	0	0	0	112.1	T494 R495 F496 E501 L502	T494-N498 WeakPolarHBondContact O-CB 3.5Å; T494-N498 PolarHBondContact O-N 3.24Å; T494-N498 VanDerWaalsContact O-N 3.08Å; T494-N498 PolarHBondContact O-OD1 3.33Å; R495-N498 PolarHBondContact O-N 2.68Å; F496-N498 VanDerWaalsContact C-N 3.33Å; F496-N498 PolarHBondContact O-N 3.41Å; N498-E501 PolarHBondContact O-N 2.94Å; N498-L502 PolarHBondContact O-N 2.98Å
499	E	85.4	Confident	82.7	Confident	30 Å²	30	62.7 Å²	62.7	14%	0.14	32%	0.322	C	S	.	.	H	α-helix	trans	-67.2	-39.5	174.5	-164.2	89.3	137.4	0	0	110.5	R495 F496 E501 L502 M503 H601 L602	R495-E499 PolarHBondContact O-N 3.24Å; R495-E499 VanDerWaalsContact O-N 3.08Å; F496-E499 PolarHBondContact O-N 3.24Å; E499-E501 VanDerWaalsContact C-N 3.28Å; E499-E501 PolarHBondContact O-N 2.77Å; E499-L502 CarbonylContact O-C 3.57Å; E499-L502 WeakPolarHBondContact O-CA 3.27Å; E499-L502 WeakPolarHBondContact O-CB 3.44Å; E499-L502 PolarHBondContact O-N 3.19Å; E499-M503 HydrophobicContact CG-CG 4.35Å; E499-M503 HydrophobicContact CG-SD 4.25Å; E499-M503 VanDerWaalsContact O-CG 3.31Å; E499-M503 WeakPolarHBondContact O-CG 3.35Å; E499-M503 PolarHBondContact O-N 2.84Å; E499-H601 IonicContact OE1-CD2 3.72Å; E499-L602 HydrophobicContact CB-CD1 3.98Å; E499-L602 HydrophobicContact CB-CD2 3.6Å; E499-L602 HydrophobicContact CB-CG 3.97Å; E499-L602 HydrophobicContact CG-CD1 3.93Å; E499-L602 HydrophobicContact CG-CD2 4.08Å; E499-L602 HydrophobicContact CG-CG 3.91Å
500	A	88.2	Confident	84.8	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.008	30%	0.297	C	S	.	.	H	α-helix	trans	-60.3	-36.9	176.4	0	0	0	0	0	112.1	L448 F496 L497 M503 H504 V517	L448-A500 HydrophobicContact CD1-CB 4.12Å; L448-A500 WeakPolarHBondContact CD1-O 3.4Å; F496-A500 HydrophobicContact CE1-CB 4.36Å; F496-A500 VanDerWaalsContact O-CB 3.26Å; F496-A500 WeakPolarHBondContact O-CB 3.3Å; F496-A500 PolarHBondContact O-N 3.11Å; L497-A500 PolarHBondContact O-N 2.94Å; A500-M503 PolarHBondContact O-N 3.36Å; A500-H504 WeakPolarHBondContact O-CB 3.35Å; A500-H504 PolarHBondContact O-N 2.61Å; A500-V517 HydrophobicContact CB-CG1 3.87Å; A500-V517 HydrophobicContact CB-CG2 4.21Å
501	E	89.2	Confident	86.7	Confident	90 Å²	90	55.4 Å²	55.4	42%	0.421	27%	0.269	S	S	.	.	H	α-helix	trans	-65.3	-36.8	173.2	-161	-147.8	-179.1	0	0	111.7	L448 L497 N498 E499 R505	L448-E501 HydrophobicContact CD2-CB 3.7Å; L448-E501 HydrophobicContact CD2-CG 4.06Å; L497-E501 WeakPolarHBondContact O-CB 3.48Å; L497-E501 PolarHBondContact O-N 2.77Å; N498-E501 PolarHBondContact O-N 2.94Å; E499-E501 VanDerWaalsContact C-N 3.28Å; E499-E501 PolarHBondContact O-N 2.77Å; E501-R505 VanDerWaalsContact C-NH2 3.34Å; E501-R505 WeakPolarHBondContact O-CG 3.34Å; E501-R505 PolarHBondContact O-N 2.74Å; E501-R505 PolarHBondContact O-NE 2.71Å; E501-R505 PolarHBondContact O-NH2 3.43Å; E501-R505 IonicContact OE1-CZ 3.73Å; E501-R505 IonicContact OE1-NH1 2.62Å; E501-R505 PolarHBondContact OE1-NH1 3.14Å; E501-R505 IonicContact OE1-NH2 2.65Å; E501-R505 IonicContact OE2-CZ 3.53Å; E501-R505 IonicContact OE2-NH1 2.6Å; E501-R505 PolarHBondContact OE2-NH1 3.48Å; E501-R505 IonicContact OE2-NH2 2.95Å; E501-R505 PolarHBondContact OE2-NH2 3.05Å
502	L	87.5	Confident	88.1	Confident	76 Å²	76	53.8 Å²	53.8	40%	0.398	26%	0.261	S	S	.	.	H	α-helix	trans	-65.4	-51.6	170.2	-66.8	168.5	0	0	0	110.7	N498 E499 H504 R505 L506 Y574	N498-L502 PolarHBondContact O-N 2.98Å; E499-L502 CarbonylContact O-C 3.57Å; E499-L502 WeakPolarHBondContact O-CA 3.27Å; E499-L502 WeakPolarHBondContact O-CB 3.44Å; E499-L502 PolarHBondContact O-N 3.19Å; L502-H504 VanDerWaalsContact C-N 3.32Å; L502-H504 PolarHBondContact O-N 2.86Å; L502-R505 PolarHBondContact O-N 2.88Å; L502-R505 VanDerWaalsContact O-N 3.09Å; L502-L506 PolarHBondContact O-N 3.25Å; L502-Y574 HydrophobicContact CB-CE2 4.09Å
503	M	89.3	Confident	88.8	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.025	25%	0.248	C	C	.	.	H	α-helix	trans	-59	-37.3	-179.2	-68.4	178.4	73.3	0	0	113.6	E499 A500 R505 L506 I514 Y574 F597 L599 L602	E499-M503 HydrophobicContact CG-CG 4.35Å; E499-M503 HydrophobicContact CG-SD 4.25Å; E499-M503 VanDerWaalsContact O-CG 3.31Å; E499-M503 WeakPolarHBondContact O-CG 3.35Å; E499-M503 PolarHBondContact O-N 2.84Å; A500-M503 PolarHBondContact O-N 3.36Å; M503-R505 VanDerWaalsContact C-N 3.35Å; M503-L506 PolarHBondContact O-N 3.47Å; M503-I514 HydrophobicContact CB-CB 4.49Å; M503-I514 HydrophobicContact CB-CG1 4.05Å; M503-I514 HydrophobicContact CE-CD1 4.27Å; M503-I514 HydrophobicContact CE-CG1 4.01Å; M503-Y574 HydrophobicContact CG-CE2 4.46Å; M503-Y574 WeakPolarHBondContact CG-OH 3.13Å; M503-F597 HydrophobicContact CB-CE2 3.97Å; M503-F597 HydrophobicContact CE-CD2 4Å; M503-F597 HydrophobicContact CE-CE2 3.82Å; M503-F597 WeakPolarHBondContact CE-O 3.34Å; M503-F597 HydrophobicContact CG-CD2 4.13Å; M503-F597 HydrophobicContact CG-CE2 3.91Å; M503-L599 HydrophobicContact CE-CD2 3.71Å; M503-L599 HydrophobicContact CE-CG 4.33Å; M503-L599 HydrophobicContact SD-CD2 4.16Å; M503-L602 HydrophobicContact SD-CD1 4.4Å
504	H	88.3	Confident	89.2	Confident	36 Å²	36	48.4 Å²	48.4	17%	0.167	24%	0.236	C	C	.	.	H	α-helix	trans	-71.3	-27.4	177.7	178.9	80.6	0	0	0	113	L448 A500 L502 I514 L515	L448-H504 HydrophobicContact CD1-CB 3.66Å; A500-H504 WeakPolarHBondContact O-CB 3.35Å; A500-H504 PolarHBondContact O-N 2.61Å; L502-H504 VanDerWaalsContact C-N 3.32Å; L502-H504 PolarHBondContact O-N 2.86Å; H504-I514 PolarHBondContact ND1-O 2.79Å; H504-L515 PolarHBondContact CE1-O 2.73Å; H504-L515 PolarHBondContact ND1-O 2.71Å; H504-L515 VanDerWaalsContact ND1-O 3.08Å
505	R	89	Confident	89.5	Confident	123 Å²	123	44 Å²	44	46%	0.464	21%	0.209	S	C	.	.	H	α-helix	trans	-76.6	-18.9	174.9	-75.1	177.3	-74	-146.1	-3.4	113.5	E501 L502 M503 N507	E501-R505 VanDerWaalsContact C-NH2 3.34Å; E501-R505 WeakPolarHBondContact O-CG 3.34Å; E501-R505 PolarHBondContact O-N 2.74Å; E501-R505 PolarHBondContact O-NE 2.71Å; E501-R505 PolarHBondContact O-NH2 3.43Å; E501-R505 IonicContact OE1-CZ 3.73Å; E501-R505 IonicContact OE1-NH1 2.62Å; E501-R505 PolarHBondContact OE1-NH1 3.14Å; E501-R505 IonicContact OE1-NH2 2.65Å; E501-R505 IonicContact OE2-CZ 3.53Å; E501-R505 IonicContact OE2-NH1 2.6Å; E501-R505 PolarHBondContact OE2-NH1 3.48Å; E501-R505 IonicContact OE2-NH2 2.95Å; E501-R505 PolarHBondContact OE2-NH2 3.05Å; L502-R505 PolarHBondContact O-N 2.88Å; L502-R505 VanDerWaalsContact O-N 3.09Å; M503-R505 VanDerWaalsContact C-N 3.35Å; R505-N507 PolarHBondContact O-N 3.07Å
506	L	89.5	Confident	89.9	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.021	18%	0.183	C	C	.	.			trans	-72.3	98.2	177.6	-62.3	175.6	0	0	0	110.7	L502 M503 V511 L569 Q572 Y574 F597	L502-L506 PolarHBondContact O-N 3.25Å; M503-L506 PolarHBondContact O-N 3.47Å; L506-V511 HydrophobicContact CB-CG1 4.41Å; L506-L569 HydrophobicContact CD1-CD2 3.63Å; L506-L569 HydrophobicContact CD2-CD2 4.12Å; L506-L569 HydrophobicContact CG-CD2 4.39Å; L506-Q572 HydrophobicContact CD2-CB 3.67Å; L506-Q572 HydrophobicContact CD2-CG 3.71Å; L506-Y574 HydrophobicContact CD1-CD1 4.35Å; L506-Y574 HydrophobicContact CD1-CD2 4.04Å; L506-Y574 HydrophobicContact CD1-CE2 4.21Å; L506-Y574 HydrophobicContact CD1-CG 4.09Å; L506-F597 HydrophobicContact CD1-CD2 3.77Å; L506-F597 HydrophobicContact CD1-CE2 3.59Å; L506-F597 HydrophobicContact CD1-CZ 4.36Å
507	N	88.8	Confident	90.2	Very high	91 Å²	91	37.1 Å²	37.1	49%	0.487	18%	0.183	S	C	.	.			trans	-126	92.6	-174.3	-178.2	31.9	0	0	0	110.9	R505	R505-N507 PolarHBondContact O-N 3.07Å
508	H	91.4	Very high	90.4	Very high	50 Å²	50	35.7 Å²	35.7	23%	0.231	18%	0.175	C	C	.	.			trans	-141.9	142.7	-178.6	-179	-98.8	0	0	0	110.2	N510 V511 G564 H568	H508-N510 PolarHBondContact ND1-N 2.84Å; H508-N510 PolarHBondContact O-N 3.4Å; H508-V511 HydrophobicContact CB-CB 4.24Å; H508-V511 HydrophobicContact CB-CG2 4.02Å; H508-V511 PolarHBondContact O-N 2.84Å; H508-V511 VanDerWaalsContact O-O 3.12Å; H508-G564 VanDerWaalsContact CE1-C 3.49Å; H508-G564 PolarHBondContact CE1-O 2.84Å; H508-G564 VanDerWaalsContact CE1-O 3.23Å; H508-H568 HydrophobicContact CB-CB 4Å; H508-H568 VanDerWaalsContact CB-CD2 3.46Å; H508-H568 WeakPolarHBondContact CB-CD2 3.42Å; H508-H568 AromaticContact CG-CG 3.9Å
509	P	90.3	Very high	90.5	Very high	67 Å²	67	31.3 Å²	31.3	44%	0.435	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-23.6	-178.3	18.4	-34.1	0	0	0	115.4	K593	P509-K593 WeakPolarHBondContact O-CE 3.27Å
510	N	95.8	Very high	90.7	Very high	19 Å²	19	33.9 Å²	33.9	10%	0.102	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	19.1	178	-56.7	102.9	0	0	0	114.6	H508 D561 L592 K593 V594	H508-N510 PolarHBondContact ND1-N 2.84Å; H508-N510 PolarHBondContact O-N 3.4Å; N510-D561 WeakPolarHBondContact CB-O 3.46Å; N510-D561 WeakPolarHBondContact ND2-CA 3.5Å; N510-D561 VanDerWaalsContact ND2-CB 3.28Å; N510-D561 WeakPolarHBondContact ND2-CB 3.38Å; N510-D561 PolarHBondContact ND2-OD1 2.78Å; N510-L592 PolarHBondContact ND2-O 3.37Å; N510-K593 CarbonylContact O-C 3.46Å; N510-K593 VanDerWaalsContact O-CA 3.31Å; N510-K593 WeakPolarHBondContact O-CA 3.33Å; N510-V594 PolarHBondContact O-N 2.89Å
511	V	94.9	Very high	90.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-121	135.9	168.9	179.5	0	0	0	0	107.8	L506 H508 R513 L569 F597	L506-V511 HydrophobicContact CB-CG1 4.41Å; H508-V511 HydrophobicContact CB-CB 4.24Å; H508-V511 HydrophobicContact CB-CG2 4.02Å; H508-V511 PolarHBondContact O-N 2.84Å; H508-V511 VanDerWaalsContact O-O 3.12Å; V511-R513 PolarHBondContact O-N 2.97Å; V511-L569 HydrophobicContact CG2-CD2 4.43Å; V511-F597 HydrophobicContact CG1-CD1 4.12Å; V511-F597 HydrophobicContact CG1-CE1 3.41Å; V511-F597 VanDerWaalsContact CG1-CE1 3.41Å; V511-F597 HydrophobicContact CG1-CZ 3.73Å
512	V	94.4	Very high	90.4	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.024	19%	0.191	C	C	.	.			trans	-69.6	115.8	178.8	173.7	0	0	0	0	108.8	I514 E531 M533 L585 K593 V594 A595 F597	V512-I514 PolarHBondContact O-N 2.81Å; V512-E531 WeakPolarHBondContact CA-OE1 3.44Å; V512-E531 HydrophobicContact CG1-CG 4.12Å; V512-M533 HydrophobicContact CG1-CG 4.45Å; V512-M533 HydrophobicContact CG2-CE 4.26Å; V512-M533 HydrophobicContact CG2-CG 4.11Å; V512-M533 HydrophobicContact CG2-SD 4.22Å; V512-L585 HydrophobicContact CG2-CB 4.25Å; V512-L585 HydrophobicContact CG2-CD1 4.27Å; V512-K593 HydrophobicContact CG2-CB 3.49Å; V512-K593 VanDerWaalsContact CG2-CB 3.49Å; V512-K593 HydrophobicContact CG2-CD 4.19Å; V512-K593 HydrophobicContact CG2-CG 4.48Å; V512-V594 PolarHBondContact N-O 2.97Å; V512-A595 HydrophobicContact CB-CB 4.03Å; V512-A595 HydrophobicContact CG2-CB 3.67Å; V512-F597 WeakPolarHBondContact O-CZ 3.45Å
513	R	91.7	Very high	90.2	Very high	40 Å²	40	39.8 Å²	39.8	15%	0.151	20%	0.203	C	C	.	.			trans	-70.4	120.5	-175.8	-173.1	176.2	-175.8	156.1	0.2	110.9	Y439 V511 L515 S530 E531	Y439-R513 PolarHBondContact O-NH1 2.8Å; V511-R513 PolarHBondContact O-N 2.97Å; R513-L515 HydrophobicContact CG-CD2 4.1Å; R513-L515 PolarHBondContact O-N 3.36Å; R513-S530 VanDerWaalsContact O-CA 3.26Å; R513-S530 WeakPolarHBondContact O-CA 3.45Å; R513-S530 VanDerWaalsContact O-CB 3.3Å; R513-S530 WeakPolarHBondContact O-CB 3.41Å; R513-E531 PolarHBondContact N-OE1 2.92Å; R513-E531 PolarHBondContact O-N 3.23Å; R513-E531 VanDerWaalsContact O-N 3.13Å
514	I	91.9	Very high	90.1	Very high	12 Å²	12	42.8 Å²	42.8	6%	0.062	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	119.1	165.8	-55.4	-48.6	0	0	0	108.2	M503 H504 V512 I528 I529 F597	M503-I514 HydrophobicContact CB-CB 4.49Å; M503-I514 HydrophobicContact CB-CG1 4.05Å; M503-I514 HydrophobicContact CE-CD1 4.27Å; M503-I514 HydrophobicContact CE-CG1 4.01Å; H504-I514 PolarHBondContact ND1-O 2.79Å; V512-I514 PolarHBondContact O-N 2.81Å; I514-I528 HydrophobicContact CD1-CG2 3.97Å; I514-I528 HydrophobicContact CG2-CG2 4.01Å; I514-I529 CarbonylContact C-O 3.37Å; I514-F597 HydrophobicContact CD1-CZ 4.43Å; I514-F597 HydrophobicContact CG1-CE2 4.32Å; I514-F597 HydrophobicContact CG1-CZ 4.04Å
515	L	89.9	Confident	90.1	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-47.5	-177.5	-59.9	177.3	0	0	0	110.7	Y439 P441 V480 H504 R513 I529	Y439-L515 HydrophobicContact CE1-CD2 4.29Å; P441-L515 HydrophobicContact CB-CD2 4.21Å; V480-L515 HydrophobicContact CG1-CD1 3.78Å; H504-L515 PolarHBondContact CE1-O 2.73Å; H504-L515 PolarHBondContact ND1-O 2.71Å; H504-L515 VanDerWaalsContact ND1-O 3.08Å; R513-L515 HydrophobicContact CG-CD2 4.1Å; R513-L515 PolarHBondContact O-N 3.36Å; L515-I529 HydrophobicContact CB-CG2 4.2Å; L515-I529 HydrophobicContact CD1-CG2 4.43Å; L515-I529 PolarHBondContact N-O 2.9Å
516	A	91.2	Very high	90.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	178.5	179.1	0	0	0	0	0	111.4	L445 L448 V450 I529	L445-A516 HydrophobicContact CD2-CB 4.13Å; L448-A516 CarbonylContact O-C 3.55Å; L448-A516 WeakPolarHBondContact O-CA 2.96Å; V450-A516 HydrophobicContact CB-CB 4.48Å; V450-A516 HydrophobicContact CG1-CB 4.08Å; V450-A516 HydrophobicContact CG2-CB 3.58Å; A516-I529 HydrophobicContact CB-CB 4.48Å; A516-I529 HydrophobicContact CB-CG1 4.49Å; A516-I529 PolarHBondContact N-O 3.28Å; A516-I529 WeakPolarHBondContact O-CA 3.14Å; A516-I529 WeakPolarHBondContact O-CB 3.41Å; A516-I529 PolarHBondContact O-N 3.14Å
517	V	92.1	Very high	90.3	Very high	1 Å²	1	38 Å²	38	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	157.7	168.9	-62.6	0	0	0	0	111.6	L448 E449 V450 F496 L497 A500 T519 Y527 I528	L448-V517 HydrophobicContact CG-CG2 4.48Å; L448-V517 WeakPolarHBondContact O-CG2 3.05Å; L448-V517 PolarHBondContact O-N 3.13Å; E449-V517 WeakPolarHBondContact CA-O 3.47Å; E449-V517 HydrophobicContact CB-CG2 4.5Å; V450-V517 PolarHBondContact N-O 3.31Å; F496-V517 HydrophobicContact CE1-CB 3.93Å; F496-V517 HydrophobicContact CE1-CG1 3.9Å; F496-V517 HydrophobicContact CE1-CG2 4.07Å; F496-V517 HydrophobicContact CZ-CB 4.38Å; F496-V517 HydrophobicContact CZ-CG1 4.01Å; L497-V517 HydrophobicContact CD2-CG2 3.91Å; A500-V517 HydrophobicContact CB-CG1 3.87Å; A500-V517 HydrophobicContact CB-CG2 4.21Å; V517-T519 HydrophobicContact CG2-CG2 4.18Å; V517-Y527 CarbonylContact C-O 3.56Å; V517-Y527 VanDerWaalsContact CA-O 3.3Å; V517-Y527 WeakPolarHBondContact CA-O 3.4Å; V517-I528 HydrophobicContact CG1-CG1 4.2Å
518	C	92.1	Very high	90.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	106.5	171.7	-52.1	0	0	0	0	108.7	R452 T526 Y527	R452-C518 HydrophobicContact CB-CB 4.09Å; C518-T526 WeakPolarHBondContact O-CA 3.3Å; C518-Y527 HydrophobicContact CB-CD2 4.12Å; C518-Y527 HydrophobicContact CB-CG 4.3Å; C518-Y527 PolarHBondContact N-O 3Å; C518-Y527 PolarHBondContact O-N 2.87Å
519	T	89.4	Confident	90.5	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.031	17%	0.17	C	C	.	.			trans	-112.6	-1.1	-179.8	82.5	0	0	0	0	113.8	E449 R493 F496 L497 V517 T526	E449-T519 WeakPolarHBondContact OE1-CB 3.28Å; E449-T519 PolarHBondContact OE1-N 3.45Å; E449-T519 PolarHBondContact OE1-OG1 3.05Å; R493-T519 VanDerWaalsContact CZ-OG1 3.26Å; R493-T519 PolarHBondContact NE-OG1 3.48Å; R493-T519 PolarHBondContact NH2-OG1 3.43Å; F496-T519 HydrophobicContact CD1-CG2 3.61Å; F496-T519 HydrophobicContact CE1-CG2 3.53Å; L497-T519 HydrophobicContact CD2-CG2 3.89Å; L497-T519 HydrophobicContact CG-CG2 4.46Å; V517-T519 HydrophobicContact CG2-CG2 4.18Å; T519-T526 HydrophobicContact CG2-CG2 4.1Å
520	L	88.9	Confident	90.6	Very high	85 Å²	85	29.3 Å²	29.3	45%	0.445	16%	0.155	S	C	.	.			trans	-114.8	147.4	176.7	-63.2	177.8	0	0	0	111.1	R452 I522	R452-L520 PolarHBondContact NE-O 3.23Å; R452-L520 PolarHBondContact NH2-O 2.92Å; R452-L520 VanDerWaalsContact NH2-O 3.09Å; L520-I522 HydrophobicContact CD2-CD1 4.37Å; L520-I522 HydrophobicContact CD2-CG1 3.72Å
521	P	88.8	Confident	90.4	Very high	54 Å²	54	30.2 Å²	30.2	35%	0.351	16%	0.159	S	C	.	.	S	Bend	cis	-71.9	154.5	-8.1	35.1	-36.3	0	0	0	111.1	N523 E524	P521-N523 VanDerWaalsContact C-N 3.25Å; P521-N523 WeakPolarHBondContact CB-OD1 3.34Å; P521-N523 PolarHBondContact O-N 2.87Å; P521-E524 HydrophobicContact CG-CB 4.3Å; P521-E524 HydrophobicContact CG-CG 3.99Å; P521-E524 WeakPolarHBondContact CG-OE1 3.11Å; P521-E524 PolarHBondContact O-N 2.95Å; P521-E524 VanDerWaalsContact O-N 3.11Å
522	I	83.4	Confident	90.3	Very high	116 Å²	116	31.6 Å²	31.6	60%	0.595	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-28.2	-165.8	-60.5	174.8	0	0	0	112.8	L520 E524	L520-I522 HydrophobicContact CD2-CD1 4.37Å; L520-I522 HydrophobicContact CD2-CG1 3.72Å; I522-E524 VanDerWaalsContact C-N 3.27Å; I522-E524 PolarHBondContact O-N 3.44Å
523	N	83.3	Confident	90.2	Very high	120 Å²	120	32 Å²	32	64%	0.642	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-10.1	179.3	61.2	-68.1	0	0	0	114.2	N488 P521	N488-N523 PolarHBondContact ND2-O 2.7Å; N488-N523 VanDerWaalsContact ND2-O 3.12Å; P521-N523 VanDerWaalsContact C-N 3.25Å; P521-N523 WeakPolarHBondContact CB-OD1 3.34Å; P521-N523 PolarHBondContact O-N 2.87Å
524	E	87	Confident	90.1	Very high	68 Å²	68	35 Å²	35	32%	0.318	18%	0.183	S	C	.	.	S	Bend	trans	-97.5	159.5	176.2	-77.6	-172.4	-129.7	0	0	112.4	R452 P521 I522	R452-E524 WeakPolarHBondContact CD-OE2 2.98Å; R452-E524 IonicContact CZ-OE2 3.61Å; R452-E524 VanDerWaalsContact CZ-OE2 3.31Å; R452-E524 IonicContact NE-OE2 3.62Å; R452-E524 PolarHBondContact NE-OE2 3.25Å; R452-E524 VanDerWaalsContact NH1-CB 3.33Å; R452-E524 IonicContact NH1-OE2 2.73Å; R452-E524 PolarHBondContact NH1-OE2 2.85Å; P521-E524 HydrophobicContact CG-CB 4.3Å; P521-E524 HydrophobicContact CG-CG 3.99Å; P521-E524 WeakPolarHBondContact CG-OE1 3.11Å; P521-E524 PolarHBondContact O-N 2.95Å; P521-E524 VanDerWaalsContact O-N 3.11Å; I522-E524 VanDerWaalsContact C-N 3.27Å; I522-E524 PolarHBondContact O-N 3.44Å
525	P	87.8	Confident	89.9	Confident	24 Å²	24	36.6 Å²	36.6	16%	0.156	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-59	142.4	176.4	-21.3	33	0	0	0	111.7	R452 K484 N488 Y527	R452-P525 PolarHBondContact NH1-O 3.3Å; R452-P525 PolarHBondContact NH2-O 3.41Å; K484-P525 HydrophobicContact CG-CB 3.99Å; N488-P525 VanDerWaalsContact ND2-CD 3.31Å; N488-P525 WeakPolarHBondContact ND2-CD 3.44Å; P525-Y527 HydrophobicContact CB-CE1 4.27Å
526	T	89.8	Confident	90	Very high	17 Å²	17	37.6 Å²	37.6	10%	0.104	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-74.2	135.6	172.3	-70	0	0	0	0	110.3	L485 F496 C518 T519	L485-T526 HydrophobicContact CD1-CG2 4.11Å; L485-T526 PolarHBondContact N-O 3.39Å; F496-T526 HydrophobicContact CD1-CG2 4.33Å; F496-T526 HydrophobicContact CE1-CG2 3.61Å; F496-T526 HydrophobicContact CE2-CG2 3.92Å; F496-T526 HydrophobicContact CZ-CG2 3.36Å; C518-T526 WeakPolarHBondContact O-CA 3.3Å; T519-T526 HydrophobicContact CG2-CG2 4.1Å
527	Y	92.5	Very high	90.1	Very high	21 Å²	21	38.1 Å²	38.1	8%	0.082	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	138.4	173.7	-53.1	-18.9	0	0	0	110.6	R452 F457 I482 K483 K484 V517 C518 P525	R452-Y527 HydrophobicContact CB-CD2 4.19Å; R452-Y527 HydrophobicContact CB-CE2 3.92Å; F457-Y527 HydrophobicContact CE2-CE2 4.03Å; F457-Y527 HydrophobicContact CZ-CD2 4.4Å; F457-Y527 HydrophobicContact CZ-CE1 4.4Å; F457-Y527 AromaticContact CZ-CE2 3.77Å; F457-Y527 HydrophobicContact CZ-CE2 3.77Å; F457-Y527 AromaticContact CZ-CZ 3.78Å; I482-Y527 HydrophobicContact CG2-CD2 4.08Å; I482-Y527 HydrophobicContact CG2-CG 4.02Å; K483-Y527 WeakPolarHBondContact O-CA 3.33Å; K484-Y527 HydrophobicContact CB-CD1 4.01Å; K484-Y527 HydrophobicContact CB-CE1 4.13Å; K484-Y527 HydrophobicContact CD-CE1 4.02Å; K484-Y527 HydrophobicContact CG-CD1 4.03Å; K484-Y527 HydrophobicContact CG-CE1 3.75Å; V517-Y527 CarbonylContact C-O 3.56Å; V517-Y527 VanDerWaalsContact CA-O 3.3Å; V517-Y527 WeakPolarHBondContact CA-O 3.4Å; C518-Y527 HydrophobicContact CB-CD2 4.12Å; C518-Y527 HydrophobicContact CB-CG 4.3Å; C518-Y527 PolarHBondContact N-O 3Å; C518-Y527 PolarHBondContact O-N 2.87Å; P525-Y527 HydrophobicContact CB-CE1 4.27Å
528	I	91.8	Very high	90.3	Very high	9 Å²	9	38.1 Å²	38.1	5%	0.046	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.7	162.7	-59.2	175.7	0	0	0	107.6	K483 L485 F496 I514 V517 L599	K483-I528 HydrophobicContact CB-CB 4.34Å; K483-I528 PolarHBondContact N-O 3.01Å; K483-I528 PolarHBondContact O-N 2.79Å; L485-I528 HydrophobicContact CD1-CD1 4.25Å; L485-I528 HydrophobicContact CD2-CD1 4.48Å; F496-I528 HydrophobicContact CE2-CD1 4.11Å; F496-I528 HydrophobicContact CE2-CG1 4.31Å; F496-I528 HydrophobicContact CZ-CD1 4.1Å; F496-I528 HydrophobicContact CZ-CG1 3.82Å; I514-I528 HydrophobicContact CD1-CG2 3.97Å; I514-I528 HydrophobicContact CG2-CG2 4.01Å; V517-I528 HydrophobicContact CG1-CG1 4.2Å; I528-L599 HydrophobicContact CD1-CD2 3.44Å; I528-L599 VanDerWaalsContact CD1-CD2 3.44Å
529	I	93.1	Very high	90.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.2	-177.7	-46	-60.3	0	0	0	108.2	F455 V480 A481 I482 I514 L515 A516	F455-I529 HydrophobicContact CD1-CD1 4.05Å; F455-I529 HydrophobicContact CD1-CG2 4.43Å; F455-I529 HydrophobicContact CD2-CD1 4.25Å; F455-I529 HydrophobicContact CE1-CB 4.35Å; F455-I529 HydrophobicContact CE1-CD1 3.83Å; F455-I529 HydrophobicContact CE1-CG1 3.92Å; F455-I529 HydrophobicContact CE1-CG2 3.53Å; F455-I529 HydrophobicContact CE2-CD1 4.06Å; F455-I529 HydrophobicContact CE2-CG1 4.07Å; F455-I529 HydrophobicContact CG-CD1 4.24Å; F455-I529 HydrophobicContact CZ-CB 4.31Å; F455-I529 HydrophobicContact CZ-CD1 3.84Å; F455-I529 HydrophobicContact CZ-CG1 3.61Å; F455-I529 HydrophobicContact CZ-CG2 3.91Å; V480-I529 HydrophobicContact CB-CG2 3.99Å; V480-I529 HydrophobicContact CG1-CG2 4.08Å; V480-I529 HydrophobicContact CG2-CG2 4.26Å; A481-I529 WeakPolarHBondContact O-CA 3.2Å; I482-I529 HydrophobicContact CB-CD1 4.38Å; I482-I529 HydrophobicContact CG1-CD1 4.13Å; I482-I529 HydrophobicContact CG2-CD1 3.96Å; I514-I529 CarbonylContact C-O 3.37Å; L515-I529 HydrophobicContact CB-CG2 4.2Å; L515-I529 HydrophobicContact CD1-CG2 4.43Å; L515-I529 PolarHBondContact N-O 2.9Å; A516-I529 HydrophobicContact CB-CB 4.48Å; A516-I529 HydrophobicContact CB-CG1 4.49Å; A516-I529 PolarHBondContact N-O 3.28Å; A516-I529 WeakPolarHBondContact O-CA 3.14Å; A516-I529 WeakPolarHBondContact O-CB 3.41Å; A516-I529 PolarHBondContact O-N 3.14Å
530	S	93.1	Very high	90.5	Very high	18 Å²	18	43.3 Å²	43.3	13%	0.126	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	171.2	173.6	73.9	0	0	0	0	111.9	A481 R513	A481-S530 PolarHBondContact N-O 3Å; A481-S530 PolarHBondContact O-N 2.86Å; R513-S530 VanDerWaalsContact O-CA 3.26Å; R513-S530 WeakPolarHBondContact O-CA 3.45Å; R513-S530 VanDerWaalsContact O-CB 3.3Å; R513-S530 WeakPolarHBondContact O-CB 3.41Å
531	E	90.8	Very high	90.7	Very high	38 Å²	38	40.6 Å²	40.6	18%	0.178	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	147.4	161.7	68.6	-173.6	131.4	0	0	110.8	V512 R513 M533 K593	V512-E531 WeakPolarHBondContact CA-OE1 3.44Å; V512-E531 HydrophobicContact CG1-CG 4.12Å; R513-E531 PolarHBondContact N-OE1 2.92Å; R513-E531 PolarHBondContact O-N 3.23Å; R513-E531 VanDerWaalsContact O-N 3.13Å; E531-M533 HydrophobicContact CG-SD 4.05Å; E531-K593 IonicContact OE1-NZ 2.8Å; E531-K593 PolarHBondContact OE1-NZ 3.19Å; E531-K593 IonicContact OE2-NZ 3.63Å; E531-K593 PolarHBondContact OE2-NZ 2.9Å
532	L	92.8	Very high	90.7	Very high	30 Å²	30	38.1 Å²	38.1	16%	0.157	20%	0.197	C	C	.	.			trans	-78	130	174.9	-177.5	69.5	0	0	0	110	L461 H471 P479 A481 E534	L461-L532 HydrophobicContact CD1-CD1 3.88Å; H471-L532 HydrophobicContact CB-CD1 4.17Å; P479-L532 HydrophobicContact CB-CD2 4.05Å; A481-L532 HydrophobicContact CB-CD1 4.32Å; L532-E534 HydrophobicContact CD2-CG 4.14Å; L532-E534 HydrophobicContact CG-CG 4.27Å
533	M	93	Very high	90.9	Very high	13 Å²	13	39 Å²	39	6%	0.064	20%	0.199	C	C	.	.			trans	-108.8	93.8	177.8	-62.4	-64.3	-69.1	0	0	109.6	V512 E531 N535 G536 L585 V586 D587 K593	V512-M533 HydrophobicContact CG1-CG 4.45Å; V512-M533 HydrophobicContact CG2-CE 4.26Å; V512-M533 HydrophobicContact CG2-CG 4.11Å; V512-M533 HydrophobicContact CG2-SD 4.22Å; E531-M533 HydrophobicContact CG-SD 4.05Å; M533-N535 VanDerWaalsContact C-N 3.31Å; M533-N535 PolarHBondContact O-N 2.86Å; M533-G536 PolarHBondContact O-N 3.07Å; M533-L585 HydrophobicContact CB-CB 3.72Å; M533-L585 HydrophobicContact CB-CD1 4.01Å; M533-L585 HydrophobicContact CB-CG 4.47Å; M533-L585 VanDerWaalsContact CE-C 3.48Å; M533-L585 HydrophobicContact CE-CB 3.82Å; M533-L585 WeakPolarHBondContact CE-O 3.43Å; M533-L585 HydrophobicContact CG-CB 3.73Å; M533-L585 HydrophobicContact CG-CD1 3.85Å; M533-L585 HydrophobicContact CG-CG 4.45Å; M533-V586 CarbonylContact C-O 3.49Å; M533-D587 HydrophobicContact CE-CB 3.91Å; M533-D587 HydrophobicContact SD-CB 4.16Å; M533-K593 HydrophobicContact CE-CB 3.8Å; M533-K593 HydrophobicContact CE-CD 3.76Å; M533-K593 HydrophobicContact CE-CG 3.64Å; M533-K593 HydrophobicContact SD-CD 3.92Å; M533-K593 HydrophobicContact SD-CG 4.47Å
534	E	88.8	Confident	91.1	Very high	103 Å²	103	40 Å²	40	48%	0.481	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-23.3	-158.1	-50.5	96.2	132.1	0	0	114.2	L532 S588	L532-E534 HydrophobicContact CD2-CG 4.14Å; L532-E534 HydrophobicContact CG-CG 4.27Å; E534-S588 VanDerWaalsContact CD-OG 3.27Å; E534-S588 WeakPolarHBondContact OE1-CB 3.44Å; E534-S588 PolarHBondContact OE1-OG 3.48Å; E534-S588 WeakPolarHBondContact OE2-CB 3.44Å; E534-S588 PolarHBondContact OE2-N 3.25Å; E534-S588 PolarHBondContact OE2-OG 3.39Å
535	N	87.8	Confident	91	Very high	45 Å²	45	38.6 Å²	38.6	24%	0.241	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-8.6	-179.4	-85.4	-52	0	0	0	113.9	M533 Y541 K544 V586 D587 N590	M533-N535 VanDerWaalsContact C-N 3.31Å; M533-N535 PolarHBondContact O-N 2.86Å; N535-Y541 HydrophobicContact CB-CD2 3.91Å; N535-Y541 HydrophobicContact CB-CE2 4.27Å; N535-K544 PolarHBondContact O-NZ 3.5Å; N535-K544 VanDerWaalsContact O-NZ 3.14Å; N535-V586 HydrophobicContact CB-CB 3.75Å; N535-V586 HydrophobicContact CB-CG1 3.78Å; N535-V586 WeakPolarHBondContact CB-O 3.38Å; N535-V586 PolarHBondContact N-O 3.45Å; N535-V586 VanDerWaalsContact N-O 3.14Å; N535-D587 PolarHBondContact ND2-O 3.38Å; N535-N590 PolarHBondContact ND2-OD1 2.81Å; N535-N590 VanDerWaalsContact ND2-OD1 3.09Å
536	G	92.2	Very high	90.6	Very high	22 Å²	22	40.8 Å²	40.8	23%	0.227	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85	-156.2	179.8	0	0	0	0	0	113.7	M533 L585 V586	M533-G536 PolarHBondContact O-N 3.07Å; G536-L585 CarbonylContact O-C 3.59Å; G536-L585 WeakPolarHBondContact O-CA 3.39Å; G536-V586 PolarHBondContact O-N 3.37Å
537	S	94.7	Very high	90.1	Very high	12 Å²	12	41.9 Å²	41.9	8%	0.084	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	154.5	176.9	64.4	0	0	0	0	112.7	K539 Q540 Y541 S582 I584	S537-K539 VanDerWaalsContact C-N 3.27Å; S537-K539 PolarHBondContact O-N 3.34Å; S537-Q540 VanDerWaalsContact N-OE1 3.14Å; S537-Q540 CarbonylContact O-C 3.59Å; S537-Q540 PolarHBondContact O-N 2.81Å; S537-Q540 VanDerWaalsContact O-N 3.08Å; S537-Q540 VanDerWaalsContact OG-CD 3.22Å; S537-Q540 VanDerWaalsContact OG-CG 3.3Å; S537-Q540 WeakPolarHBondContact OG-CG 3.38Å; S537-Q540 PolarHBondContact OG-N 2.91Å; S537-Q540 PolarHBondContact OG-OE1 3.34Å; S537-Y541 WeakPolarHBondContact O-CB 3.33Å; S537-Y541 PolarHBondContact O-N 2.6Å; S537-S582 WeakPolarHBondContact CB-O 3.33Å; S537-I584 CarbonylContact C-O 3.52Å; S537-I584 WeakPolarHBondContact CA-O 3.43Å
538	L	95.6	Very high	89.3	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.8	-37.5	177	-178.3	61.2	0	0	0	111.8	Q540 Y541 M542 A581 I584 V586 L592 L644 I648	L538-Q540 PolarHBondContact O-N 3.09Å; L538-Y541 HydrophobicContact CD1-CD1 4.27Å; L538-Y541 PolarHBondContact O-N 3.37Å; L538-M542 HydrophobicContact CD1-CG 3.76Å; L538-M542 HydrophobicContact CD1-SD 4.19Å; L538-M542 HydrophobicContact CG-CG 4.06Å; L538-M542 WeakPolarHBondContact O-CB 3.41Å; L538-M542 WeakPolarHBondContact O-CG 3.42Å; L538-M542 PolarHBondContact O-N 3.34Å; L538-A581 WeakPolarHBondContact CB-O 3.36Å; L538-A581 PolarHBondContact N-O 3.25Å; L538-I584 HydrophobicContact CB-CB 3.88Å; L538-I584 HydrophobicContact CB-CG2 4.09Å; L538-I584 HydrophobicContact CD2-CB 4.11Å; L538-I584 HydrophobicContact CD2-CG1 4.44Å; L538-I584 HydrophobicContact CD2-CG2 4.06Å; L538-I584 PolarHBondContact N-O 3.18Å; L538-V586 HydrophobicContact CB-CG2 4.46Å; L538-V586 HydrophobicContact CD1-CG2 4.24Å; L538-L592 HydrophobicContact CD1-CD1 4.28Å; L538-L592 HydrophobicContact CD1-CD2 3.72Å; L538-L592 HydrophobicContact CD1-CG 4.05Å; L538-L592 HydrophobicContact CD2-CD2 3.63Å; L538-L592 HydrophobicContact CD2-CG 4.47Å; L538-L592 HydrophobicContact CG-CD2 4.27Å; L538-L644 HydrophobicContact CD2-CD1 4.4Å; L538-I648 HydrophobicContact CD2-CD1 4.11Å; L538-I648 HydrophobicContact CD2-CG1 3.9Å
539	K	94.5	Very high	88.5	Confident	52 Å²	52	49.1 Å²	49.1	23%	0.226	25%	0.247	C	C	.	.	H	α-helix	trans	-53.4	-51.5	170.5	-178.6	178.8	173.1	-172	0	111.7	D10 S537 Q543 A581 C652	D10-K539 IonicContact OD2-NZ 3.26Å; D10-K539 PolarHBondContact OD2-NZ 3.48Å; S537-K539 VanDerWaalsContact C-N 3.27Å; S537-K539 PolarHBondContact O-N 3.34Å; K539-Q543 VanDerWaalsContact O-CG 3.23Å; K539-Q543 WeakPolarHBondContact O-CG 3.35Å; K539-Q543 PolarHBondContact O-N 3.08Å; K539-Q543 PolarHBondContact O-OE1 3.31Å; K539-A581 HydrophobicContact CB-CB 4.49Å; K539-A581 PolarHBondContact N-O 2.88Å; K539-C652 HydrophobicContact CG-CB 4.44Å
540	Q	91.8	Very high	87.9	Confident	63 Å²	63	50 Å²	50	29%	0.294	25%	0.251	S	S	.	.	H	α-helix	trans	-71.1	-28	177.8	-69.3	161.7	-36.4	0	0	113.3	S537 L538 K544	S537-Q540 VanDerWaalsContact N-OE1 3.14Å; S537-Q540 CarbonylContact O-C 3.59Å; S537-Q540 PolarHBondContact O-N 2.81Å; S537-Q540 VanDerWaalsContact O-N 3.08Å; S537-Q540 VanDerWaalsContact OG-CD 3.22Å; S537-Q540 VanDerWaalsContact OG-CG 3.3Å; S537-Q540 WeakPolarHBondContact OG-CG 3.38Å; S537-Q540 PolarHBondContact OG-N 2.91Å; S537-Q540 PolarHBondContact OG-OE1 3.34Å; L538-Q540 PolarHBondContact O-N 3.09Å; Q540-K544 WeakPolarHBondContact O-CD 3.47Å; Q540-K544 VanDerWaalsContact O-CE 3.23Å; Q540-K544 WeakPolarHBondContact O-CE 3.39Å; Q540-K544 WeakPolarHBondContact O-CG 3.34Å
541	Y	91.3	Very high	87.5	Confident	27 Å²	27	54.4 Å²	54.4	11%	0.106	27%	0.265	C	S	.	.	H	α-helix	trans	-73.6	-50.2	177.7	-177.8	-102.6	0	0	0	111	N535 S537 L538 Q543 K544 L545 M558 V586 N590	N535-Y541 HydrophobicContact CB-CD2 3.91Å; N535-Y541 HydrophobicContact CB-CE2 4.27Å; S537-Y541 WeakPolarHBondContact O-CB 3.33Å; S537-Y541 PolarHBondContact O-N 2.6Å; L538-Y541 HydrophobicContact CD1-CD1 4.27Å; L538-Y541 PolarHBondContact O-N 3.37Å; Y541-Q543 PolarHBondContact O-N 3.31Å; Y541-K544 WeakPolarHBondContact O-CB 3.28Å; Y541-K544 PolarHBondContact O-N 2.95Å; Y541-L545 HydrophobicContact CD1-CD1 4.14Å; Y541-L545 HydrophobicContact CD1-CG 4.49Å; Y541-L545 HydrophobicContact CE1-CD1 3.85Å; Y541-L545 HydrophobicContact CE1-CD2 4.13Å; Y541-L545 HydrophobicContact CE1-CG 4.29Å; Y541-L545 PolarHBondContact O-N 3.04Å; Y541-M558 HydrophobicContact CE1-CE 3.97Å; Y541-V586 HydrophobicContact CD1-CG1 4.44Å; Y541-V586 HydrophobicContact CD1-CG2 4.18Å; Y541-V586 HydrophobicContact CD2-CB 4.41Å; Y541-V586 HydrophobicContact CD2-CG1 4.05Å; Y541-V586 HydrophobicContact CE1-CG1 4.46Å; Y541-V586 HydrophobicContact CE2-CG1 4.07Å; Y541-V586 HydrophobicContact CG-CB 4.37Å; Y541-V586 HydrophobicContact CG-CG1 4.24Å; Y541-V586 HydrophobicContact CG-CG2 3.98Å; Y541-N590 WeakPolarHBondContact OH-CB 3.42Å; Y541-N590 PolarHBondContact OH-OD1 3.34Å
542	M	90.2	Very high	87.3	Confident	3 Å²	3	53.6 Å²	53.6	2%	0.015	26%	0.262	C	S	.	.	H	α-helix	trans	-59.4	-34.8	178	-67.3	-68.9	-77.7	0	0	112.2	L538 K544 L545 L555 M558 I648 F651	L538-M542 HydrophobicContact CD1-CG 3.76Å; L538-M542 HydrophobicContact CD1-SD 4.19Å; L538-M542 HydrophobicContact CG-CG 4.06Å; L538-M542 WeakPolarHBondContact O-CB 3.41Å; L538-M542 WeakPolarHBondContact O-CG 3.42Å; L538-M542 PolarHBondContact O-N 3.34Å; M542-K544 PolarHBondContact O-N 3.04Å; M542-L545 PolarHBondContact O-N 3.49Å; M542-L545 HydrophobicContact SD-CD1 3.79Å; M542-L555 HydrophobicContact CE-CD2 4.06Å; M542-M558 HydrophobicContact CE-SD 4.47Å; M542-M558 HydrophobicContact SD-CE 4Å; M542-M558 HydrophobicContact SD-SD 3.73Å; M542-I648 WeakPolarHBondContact CE-O 3.34Å; M542-F651 HydrophobicContact CE-CD1 3.77Å; M542-F651 HydrophobicContact CE-CD2 4.37Å; M542-F651 HydrophobicContact CE-CE1 3.97Å; M542-F651 HydrophobicContact CE-CG 3.98Å; M542-F651 HydrophobicContact CE-CZ 4.35Å
543	Q	87.5	Confident	87	Confident	134 Å²	134	53.8 Å²	53.8	63%	0.626	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.8	173.8	-76.1	171.5	-21.4	0	0	114.4	K539 Y541	K539-Q543 VanDerWaalsContact O-CG 3.23Å; K539-Q543 WeakPolarHBondContact O-CG 3.35Å; K539-Q543 PolarHBondContact O-N 3.08Å; K539-Q543 PolarHBondContact O-OE1 3.31Å; Y541-Q543 PolarHBondContact O-N 3.31Å
544	K	87.3	Confident	86.7	Confident	142 Å²	142	55.6 Å²	55.6	62%	0.617	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-13.5	176.4	-60.6	160.2	-169.5	168.4	0	112.7	N535 Q540 Y541 M542	N535-K544 PolarHBondContact O-NZ 3.5Å; N535-K544 VanDerWaalsContact O-NZ 3.14Å; Q540-K544 WeakPolarHBondContact O-CD 3.47Å; Q540-K544 VanDerWaalsContact O-CE 3.23Å; Q540-K544 WeakPolarHBondContact O-CE 3.39Å; Q540-K544 WeakPolarHBondContact O-CG 3.34Å; Y541-K544 WeakPolarHBondContact O-CB 3.28Å; Y541-K544 PolarHBondContact O-N 2.95Å; M542-K544 PolarHBondContact O-N 3.04Å
545	L	83.6	Confident	86.8	Confident	38 Å²	38	50.7 Å²	50.7	20%	0.199	25%	0.248	C	C	.	.	S	Bend	trans	-83.6	138.2	-179	-60	179.1	0	0	0	110.5	Y541 M542 P547 I550 M558 F651	Y541-L545 HydrophobicContact CD1-CD1 4.14Å; Y541-L545 HydrophobicContact CD1-CG 4.49Å; Y541-L545 HydrophobicContact CE1-CD1 3.85Å; Y541-L545 HydrophobicContact CE1-CD2 4.13Å; Y541-L545 HydrophobicContact CE1-CG 4.29Å; Y541-L545 PolarHBondContact O-N 3.04Å; M542-L545 PolarHBondContact O-N 3.49Å; M542-L545 HydrophobicContact SD-CD1 3.79Å; L545-P547 VanDerWaalsContact O-CD 3.3Å; L545-P547 WeakPolarHBondContact O-CD 3.46Å; L545-I550 HydrophobicContact CB-CD1 4.38Å; L545-I550 HydrophobicContact CB-CG1 4.43Å; L545-I550 HydrophobicContact CD1-CD1 4.02Å; L545-I550 HydrophobicContact CD1-CG1 4.44Å; L545-M558 HydrophobicContact CD1-CE 3.96Å; L545-F651 HydrophobicContact CB-CE1 4.39Å
546	N	80.4	Confident	87	Confident	70 Å²	70	48.7 Å²	48.7	37%	0.374	24%	0.237	S	C	.	.			trans	-76.9	114.8	165.6	179.7	3	0	0	0	109.3	V548 E549	N546-V548 PolarHBondContact O-N 3.07Å; N546-V548 WeakPolarHBondContact OD1-CB 3.3Å; N546-V548 WeakPolarHBondContact OD1-CG2 3.42Å; N546-V548 PolarHBondContact OD1-N 2.76Å; N546-E549 HydrophobicContact CB-CB 4.43Å; N546-E549 HydrophobicContact CB-CG 4.22Å; N546-E549 WeakPolarHBondContact CB-OE1 3.44Å; N546-E549 PolarHBondContact ND2-OE1 3.16Å; N546-E549 PolarHBondContact O-N 3.16Å
547	P	79.5	Confident	86.9	Confident	40 Å²	40	50.9 Å²	50.9	26%	0.26	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-58.5	-27.1	-177.5	-25.6	36.4	0	0	0	113.7	L545 E549 I550 F651 K680 I681	L545-P547 VanDerWaalsContact O-CD 3.3Å; L545-P547 WeakPolarHBondContact O-CD 3.46Å; P547-E549 PolarHBondContact O-N 2.82Å; P547-I550 PolarHBondContact O-N 3.42Å; P547-F651 HydrophobicContact CB-CD1 4.31Å; P547-F651 HydrophobicContact CB-CD2 4.44Å; P547-F651 HydrophobicContact CB-CE1 3.89Å; P547-F651 HydrophobicContact CB-CE2 4.04Å; P547-F651 HydrophobicContact CB-CZ 3.75Å; P547-F651 HydrophobicContact CG-CD1 3.91Å; P547-F651 HydrophobicContact CG-CE1 3.88Å; P547-F651 HydrophobicContact CG-CG 4.28Å; P547-F651 HydrophobicContact CG-CZ 4.24Å; P547-K680 WeakPolarHBondContact CB-O 3.23Å; P547-I681 WeakPolarHBondContact O-CA 3.18Å
548	V	74.4	Confident	86.8	Confident	41 Å²	41	51.2 Å²	51.2	25%	0.248	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-71.2	-15.3	179.6	-165.9	0	0	0	0	112.8	N546 S682 K700 V702	N546-V548 PolarHBondContact O-N 3.07Å; N546-V548 WeakPolarHBondContact OD1-CB 3.3Å; N546-V548 WeakPolarHBondContact OD1-CG2 3.42Å; N546-V548 PolarHBondContact OD1-N 2.76Å; V548-S682 WeakPolarHBondContact O-CB 3.29Å; V548-K700 HydrophobicContact CG1-CB 4.33Å; V548-V702 HydrophobicContact CG2-CG2 3.62Å
549	E	76.7	Confident	86.9	Confident	140 Å²	140	51.2 Å²	51.2	65%	0.654	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-94.9	-15.6	175.9	-70.6	165.6	-142.1	0	0	112.6	N546 P547	N546-E549 HydrophobicContact CB-CB 4.43Å; N546-E549 HydrophobicContact CB-CG 4.22Å; N546-E549 WeakPolarHBondContact CB-OE1 3.44Å; N546-E549 PolarHBondContact ND2-OE1 3.16Å; N546-E549 PolarHBondContact O-N 3.16Å; P547-E549 PolarHBondContact O-N 2.82Å
550	I	80.9	Confident	87	Confident	20 Å²	20	51 Å²	51	10%	0.103	24%	0.242	C	C	.	.			trans	-85.2	145.4	-178.8	-54.8	-53.5	0	0	0	110.7	L545 P547 N554 L555 F651 I681 S682	L545-I550 HydrophobicContact CB-CD1 4.38Å; L545-I550 HydrophobicContact CB-CG1 4.43Å; L545-I550 HydrophobicContact CD1-CD1 4.02Å; L545-I550 HydrophobicContact CD1-CG1 4.44Å; P547-I550 PolarHBondContact O-N 3.42Å; I550-N554 HydrophobicContact CG2-CB 4.1Å; I550-L555 HydrophobicContact CG2-CD2 3.87Å; I550-L555 HydrophobicContact CG2-CG 4.03Å; I550-F651 HydrophobicContact CB-CZ 3.93Å; I550-F651 HydrophobicContact CG1-CE1 4.01Å; I550-F651 HydrophobicContact CG1-CZ 3.88Å; I550-F651 HydrophobicContact CG2-CZ 4.04Å; I550-I681 HydrophobicContact CB-CG2 4.45Å; I550-I681 HydrophobicContact CG2-CG2 4.36Å; I550-S682 PolarHBondContact O-N 3.1Å; I550-S682 VanDerWaalsContact O-N 3.09Å; I550-S682 PolarHBondContact O-OG 3.1Å
551	R	83.5	Confident	87.1	Confident	109 Å²	109	49.9 Å²	49.9	41%	0.411	24%	0.237	S	C	.	.			trans	-117.8	163.9	171.7	-59.2	-178.7	-173.4	-175.3	2.7	111.1	K553 N554 L555 D747	R551-K553 PolarHBondContact O-N 3.33Å; R551-N554 PolarHBondContact N-OD1 3.39Å; R551-N554 PolarHBondContact O-N 2.98Å; R551-L555 PolarHBondContact O-N 3.24Å; R551-D747 IonicContact NH1-OD1 2.68Å; R551-D747 PolarHBondContact NH1-OD1 3.22Å
552	M	86.8	Confident	87.4	Confident	22 Å²	22	48.6 Å²	48.6	11%	0.108	23%	0.232	C	C	.	.	H	α-helix	trans	-52.2	-40.6	173.8	177.5	52.3	58.2	0	0	112.4	N554 L555 L556 L649 L679 I681 P708 I711 E743	M552-N554 VanDerWaalsContact C-N 3.3Å; M552-N554 PolarHBondContact O-N 3.16Å; M552-L555 PolarHBondContact O-N 3.46Å; M552-L556 HydrophobicContact CG-CD1 4Å; M552-L556 HydrophobicContact CG-CG 4.35Å; M552-L556 WeakPolarHBondContact O-CG 3.33Å; M552-L556 PolarHBondContact O-N 3.12Å; M552-L556 HydrophobicContact SD-CD1 4.19Å; M552-L556 HydrophobicContact SD-CD2 4.44Å; M552-L556 HydrophobicContact SD-CG 3.97Å; M552-L649 HydrophobicContact CE-CD2 4.39Å; M552-L679 HydrophobicContact CE-CD1 3.31Å; M552-I681 HydrophobicContact CB-CD1 4.18Å; M552-I681 HydrophobicContact CE-CD1 4.08Å; M552-P708 HydrophobicContact CE-CG 4.12Å; M552-I711 HydrophobicContact SD-CD1 3.97Å; M552-E743 HydrophobicContact CG-CG 4.3Å
553	K	85.7	Confident	87.8	Confident	34 Å²	34	48.4 Å²	48.4	15%	0.148	23%	0.231	C	C	.	.	H	α-helix	trans	-50.8	-46.3	174.4	-179	-176.9	166.4	-72.3	0	112.6	R551 L556 E557 L740 E743 I744 D747	R551-K553 PolarHBondContact O-N 3.33Å; K553-L556 PolarHBondContact O-N 3.15Å; K553-E557 WeakPolarHBondContact CE-OE1 3.42Å; K553-E557 IonicContact NZ-OE1 2.62Å; K553-E557 PolarHBondContact NZ-OE1 2.89Å; K553-E557 IonicContact NZ-OE2 3.27Å; K553-E557 PolarHBondContact NZ-OE2 2.69Å; K553-E557 WeakPolarHBondContact O-CG 3.23Å; K553-E557 PolarHBondContact O-N 3.2Å; K553-L740 HydrophobicContact CG-CD1 3.8Å; K553-E743 HydrophobicContact CB-CB 4.29Å; K553-I744 HydrophobicContact CD-CG1 4.4Å; K553-D747 WeakPolarHBondContact CD-OD2 3.36Å
554	N	87.9	Confident	88.3	Confident	51 Å²	51	42.2 Å²	42.2	27%	0.273	20%	0.204	S	C	.	.	H	α-helix	trans	-69.5	-37.5	-177	-53.4	108.7	0	0	0	112	I550 R551 M552 L556 E557 M558	I550-N554 HydrophobicContact CG2-CB 4.1Å; R551-N554 PolarHBondContact N-OD1 3.39Å; R551-N554 PolarHBondContact O-N 2.98Å; M552-N554 VanDerWaalsContact C-N 3.3Å; M552-N554 PolarHBondContact O-N 3.16Å; N554-L556 VanDerWaalsContact C-N 3.35Å; N554-E557 PolarHBondContact O-N 3.07Å; N554-M558 WeakPolarHBondContact O-CG 3.33Å; N554-M558 PolarHBondContact O-N 2.94Å
555	L	91.2	Very high	88.8	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.2	-40	173.9	-59.1	-178.8	0	0	0	111	M542 I550 R551 M552 M558 I559 I648 L649 I681	M542-L555 HydrophobicContact CE-CD2 4.06Å; I550-L555 HydrophobicContact CG2-CD2 3.87Å; I550-L555 HydrophobicContact CG2-CG 4.03Å; R551-L555 PolarHBondContact O-N 3.24Å; M552-L555 PolarHBondContact O-N 3.46Å; L555-M558 HydrophobicContact CD2-SD 4.31Å; L555-M558 PolarHBondContact O-N 2.98Å; L555-I559 WeakPolarHBondContact O-CD1 3.3Å; L555-I559 WeakPolarHBondContact O-CG1 3.48Å; L555-I559 PolarHBondContact O-N 3.14Å; L555-I648 HydrophobicContact CB-CG2 4.26Å; L555-I648 HydrophobicContact CD2-CG2 3.95Å; L555-L649 HydrophobicContact CD1-CD2 4.23Å; L555-I681 HydrophobicContact CD1-CD1 4.31Å; L555-I681 HydrophobicContact CD1-CG2 4.07Å
556	L	92.3	Very high	89.5	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-65.7	-35.4	174.1	-69.2	171.7	0	0	0	112.6	M552 K553 N554 I559 K560 I711 I736 L739 L740 E743	M552-L556 HydrophobicContact CG-CD1 4Å; M552-L556 HydrophobicContact CG-CG 4.35Å; M552-L556 WeakPolarHBondContact O-CG 3.33Å; M552-L556 PolarHBondContact O-N 3.12Å; M552-L556 HydrophobicContact SD-CD1 4.19Å; M552-L556 HydrophobicContact SD-CD2 4.44Å; M552-L556 HydrophobicContact SD-CG 3.97Å; K553-L556 PolarHBondContact O-N 3.15Å; N554-L556 VanDerWaalsContact C-N 3.35Å; L556-I559 PolarHBondContact O-N 3.35Å; L556-K560 VanDerWaalsContact O-CB 3.28Å; L556-K560 WeakPolarHBondContact O-CB 3.45Å; L556-K560 PolarHBondContact O-N 3.35Å; L556-I711 HydrophobicContact CD2-CD1 4.22Å; L556-I736 HydrophobicContact CD2-CD1 4.21Å; L556-I736 HydrophobicContact CD2-CG2 4.43Å; L556-L739 HydrophobicContact CD1-CB 3.95Å; L556-L739 HydrophobicContact CD2-CB 4.15Å; L556-L739 HydrophobicContact CD2-CD1 4.13Å; L556-L740 HydrophobicContact CB-CB 4.43Å; L556-L740 HydrophobicContact CB-CD1 4.25Å; L556-E743 HydrophobicContact CD1-CG 3.78Å
557	E	89.8	Confident	90.3	Very high	68 Å²	68	31.2 Å²	31.2	32%	0.318	15%	0.152	S	C	.	.	H	α-helix	trans	-64.1	-44.7	172.7	-73.5	168.4	137.5	0	0	111.4	K553 N554 I559 K560 D561 L740	K553-E557 WeakPolarHBondContact CE-OE1 3.42Å; K553-E557 IonicContact NZ-OE1 2.62Å; K553-E557 PolarHBondContact NZ-OE1 2.89Å; K553-E557 IonicContact NZ-OE2 3.27Å; K553-E557 PolarHBondContact NZ-OE2 2.69Å; K553-E557 WeakPolarHBondContact O-CG 3.23Å; K553-E557 PolarHBondContact O-N 3.2Å; N554-E557 PolarHBondContact O-N 3.07Å; E557-I559 PolarHBondContact O-N 3.24Å; E557-K560 PolarHBondContact O-N 3.37Å; E557-D561 PolarHBondContact O-N 3.02Å; E557-L740 HydrophobicContact CG-CD1 3.72Å; E557-L740 HydrophobicContact CG-CD2 3.87Å; E557-L740 HydrophobicContact CG-CG 4.47Å
558	M	92.5	Very high	91.1	Very high	20 Å²	20	30.4 Å²	30.4	10%	0.099	15%	0.145	C	C	.	.	H	α-helix	trans	-60.2	-44.5	173.5	-71	172.2	-179.8	0	0	112.8	Y541 M542 L545 N554 L555 K560 D561 V562 L592 I648	Y541-M558 HydrophobicContact CE1-CE 3.97Å; M542-M558 HydrophobicContact CE-SD 4.47Å; M542-M558 HydrophobicContact SD-CE 4Å; M542-M558 HydrophobicContact SD-SD 3.73Å; L545-M558 HydrophobicContact CD1-CE 3.96Å; N554-M558 WeakPolarHBondContact O-CG 3.33Å; N554-M558 PolarHBondContact O-N 2.94Å; L555-M558 HydrophobicContact CD2-SD 4.31Å; L555-M558 PolarHBondContact O-N 2.98Å; M558-K560 VanDerWaalsContact C-N 3.31Å; M558-K560 PolarHBondContact O-N 3.38Å; M558-D561 PolarHBondContact O-N 3.36Å; M558-V562 WeakPolarHBondContact O-CG2 3.31Å; M558-V562 PolarHBondContact O-N 2.95Å; M558-L592 HydrophobicContact CB-CD2 3.62Å; M558-L592 HydrophobicContact CG-CD1 4.08Å; M558-L592 HydrophobicContact CG-CD2 3.92Å; M558-I648 HydrophobicContact CB-CG2 4.38Å
559	I	97.3	Very high	92.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.2	-37.2	177.7	-63.1	158.1	0	0	0	110.5	L555 L556 E557 V562 V563 F641 V645 I648 I736	L555-I559 WeakPolarHBondContact O-CD1 3.3Å; L555-I559 WeakPolarHBondContact O-CG1 3.48Å; L555-I559 PolarHBondContact O-N 3.14Å; L556-I559 PolarHBondContact O-N 3.35Å; E557-I559 PolarHBondContact O-N 3.24Å; I559-V562 PolarHBondContact O-N 3.26Å; I559-V563 WeakPolarHBondContact O-CB 3.46Å; I559-V563 WeakPolarHBondContact O-CG1 3.4Å; I559-V563 PolarHBondContact O-N 2.95Å; I559-F641 HydrophobicContact CG2-CE2 4.39Å; I559-F641 HydrophobicContact CG2-CZ 3.84Å; I559-V645 HydrophobicContact CD1-CG1 3.74Å; I559-V645 HydrophobicContact CG1-CG1 4.2Å; I559-V645 HydrophobicContact CG1-CG2 4.21Å; I559-V645 HydrophobicContact CG2-CG2 3.79Å; I559-I648 HydrophobicContact CD1-CG2 4.35Å; I559-I648 HydrophobicContact CG1-CB 4.44Å; I559-I648 HydrophobicContact CG1-CD1 3.88Å; I559-I648 HydrophobicContact CG1-CG2 4.04Å; I559-I736 HydrophobicContact CB-CG2 4.36Å; I559-I736 HydrophobicContact CG2-CD1 3.69Å; I559-I736 HydrophobicContact CG2-CG1 3.81Å; I559-I736 HydrophobicContact CG2-CG2 4.14Å
560	K	95.5	Very high	93.1	Very high	48 Å²	48	23.7 Å²	23.7	21%	0.209	11%	0.111	C	C	.	.	H	α-helix	trans	-63.2	-44.3	177.9	-171.3	177.8	173.4	-175.5	0	112.1	L556 E557 M558 V563 G564 Y733 I736 E737 L740	L556-K560 VanDerWaalsContact O-CB 3.28Å; L556-K560 WeakPolarHBondContact O-CB 3.45Å; L556-K560 PolarHBondContact O-N 3.35Å; E557-K560 PolarHBondContact O-N 3.37Å; M558-K560 VanDerWaalsContact C-N 3.31Å; M558-K560 PolarHBondContact O-N 3.38Å; K560-V563 WeakPolarHBondContact O-CG1 3.44Å; K560-G564 PolarHBondContact O-N 3.05Å; K560-Y733 WeakPolarHBondContact CE-OH 3.31Å; K560-Y733 HydrophobicContact CG-CE2 4.08Å; K560-Y733 PolarHBondContact NZ-OH 3.49Å; K560-I736 HydrophobicContact CB-CG2 3.97Å; K560-E737 WeakPolarHBondContact CE-OE1 3.27Å; K560-E737 IonicContact NZ-OE1 2.75Å; K560-E737 PolarHBondContact NZ-OE1 3.14Å; K560-L740 HydrophobicContact CD-CD2 3.89Å
561	D	95	Very high	93.8	Very high	38 Å²	38	28.4 Å²	28.4	20%	0.203	13%	0.132	C	C	.	.	H	α-helix	trans	-57.2	-53.2	174.3	-89.7	-10.6	0	0	0	110.9	N510 E557 M558 V563 G564 G565 R591 L592	N510-D561 WeakPolarHBondContact CB-O 3.46Å; N510-D561 WeakPolarHBondContact ND2-CA 3.5Å; N510-D561 VanDerWaalsContact ND2-CB 3.28Å; N510-D561 WeakPolarHBondContact ND2-CB 3.38Å; N510-D561 PolarHBondContact ND2-OD1 2.78Å; E557-D561 PolarHBondContact O-N 3.02Å; M558-D561 PolarHBondContact O-N 3.36Å; D561-V563 PolarHBondContact O-N 3.19Å; D561-G564 PolarHBondContact O-N 3.49Å; D561-G565 PolarHBondContact O-N 3.07Å; D561-R591 WeakPolarHBondContact OD2-CA 3.45Å; D561-L592 HydrophobicContact CB-CB 3.73Å; D561-L592 PolarHBondContact OD2-N 3.18Å
562	V	98	Very high	94.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.7	-47.4	-179	173	0	0	0	0	111.9	M558 I559 G564 G565 M566 I584 L592 F641 L644	M558-V562 WeakPolarHBondContact O-CG2 3.31Å; M558-V562 PolarHBondContact O-N 2.95Å; I559-V562 PolarHBondContact O-N 3.26Å; V562-G564 VanDerWaalsContact C-N 3.33Å; V562-G564 PolarHBondContact O-N 3.2Å; V562-G565 PolarHBondContact O-N 2.89Å; V562-M566 PolarHBondContact O-N 3.23Å; V562-I584 HydrophobicContact CG1-CD1 4.08Å; V562-I584 HydrophobicContact CG2-CD1 4.08Å; V562-I584 HydrophobicContact CG2-CG1 4.07Å; V562-I584 HydrophobicContact CG2-CG2 3.95Å; V562-L592 HydrophobicContact CG2-CB 4.27Å; V562-L592 HydrophobicContact CG2-CD2 3.89Å; V562-F641 HydrophobicContact CB-CE2 4.47Å; V562-F641 HydrophobicContact CG1-CD2 3.96Å; V562-F641 HydrophobicContact CG1-CE2 3.91Å; V562-L644 HydrophobicContact CG1-CD2 3.65Å
563	V	98.3	Very high	94.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-68.9	-33.2	-178.1	75.2	0	0	0	0	111.6	I559 K560 D561 G565 M566 V567 F641 F729 L732 Y733	I559-V563 WeakPolarHBondContact O-CB 3.46Å; I559-V563 WeakPolarHBondContact O-CG1 3.4Å; I559-V563 PolarHBondContact O-N 2.95Å; K560-V563 WeakPolarHBondContact O-CG1 3.44Å; D561-V563 PolarHBondContact O-N 3.19Å; V563-G565 VanDerWaalsContact C-N 3.34Å; V563-G565 PolarHBondContact O-N 3.23Å; V563-M566 PolarHBondContact O-N 3.29Å; V563-V567 WeakPolarHBondContact O-CG2 3.46Å; V563-V567 PolarHBondContact O-N 3.39Å; V563-F641 HydrophobicContact CB-CE2 3.69Å; V563-F641 HydrophobicContact CB-CZ 3.7Å; V563-F641 HydrophobicContact CG2-CE1 4.42Å; V563-F641 HydrophobicContact CG2-CE2 4.05Å; V563-F641 HydrophobicContact CG2-CZ 3.81Å; V563-F729 HydrophobicContact CG2-CD1 4.13Å; V563-L732 HydrophobicContact CG2-CB 3.67Å; V563-Y733 HydrophobicContact CG1-CD2 3.86Å; V563-Y733 HydrophobicContact CG1-CG 4.33Å
564	G	97.5	Very high	94.7	Very high	4 Å²	4	34.3 Å²	34.3	4%	0.041	16%	0.164	C	C	.	.	H	α-helix	trans	-61.5	-40	170.7	0	0	0	0	0	112.7	H508 K560 D561 V562 H568	H508-G564 VanDerWaalsContact CE1-C 3.49Å; H508-G564 PolarHBondContact CE1-O 2.84Å; H508-G564 VanDerWaalsContact CE1-O 3.23Å; K560-G564 PolarHBondContact O-N 3.05Å; D561-G564 PolarHBondContact O-N 3.49Å; V562-G564 VanDerWaalsContact C-N 3.33Å; V562-G564 PolarHBondContact O-N 3.2Å; G564-H568 PolarHBondContact O-N 3.29Å
565	G	97.2	Very high	94.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61	-43	171.2	0	0	0	0	0	112.7	D561 V562 V563 H568 L569	D561-G565 PolarHBondContact O-N 3.07Å; V562-G565 PolarHBondContact O-N 2.89Å; V563-G565 VanDerWaalsContact C-N 3.34Å; V563-G565 PolarHBondContact O-N 3.23Å; G565-H568 PolarHBondContact O-N 3.41Å; G565-L569 PolarHBondContact O-N 3Å
566	M	98.5	Very high	95	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-72.8	-29.7	179.6	-66.2	-54.2	-52.8	0	0	114.3	V562 V563 H568 L569 E570 H576 L579 V594 D637 F729	V562-M566 PolarHBondContact O-N 3.23Å; V563-M566 PolarHBondContact O-N 3.29Å; M566-H568 VanDerWaalsContact C-N 3.34Å; M566-L569 HydrophobicContact CE-CB 4.5Å; M566-L569 HydrophobicContact CE-CD1 4.13Å; M566-L569 PolarHBondContact O-N 3.32Å; M566-L569 HydrophobicContact SD-CD1 3.91Å; M566-E570 PolarHBondContact O-N 2.61Å; M566-H576 HydrophobicContact CE-CB 4.06Å; M566-L579 HydrophobicContact CE-CD2 4.02Å; M566-L579 HydrophobicContact CG-CD2 3.96Å; M566-L579 HydrophobicContact SD-CD1 3.87Å; M566-L579 HydrophobicContact SD-CD2 3.71Å; M566-L579 HydrophobicContact SD-CG 4.41Å; M566-V594 HydrophobicContact CG-CG2 4.43Å; M566-V594 HydrophobicContact SD-CG1 3.96Å; M566-V594 HydrophobicContact SD-CG2 4.22Å; M566-D637 HydrophobicContact CE-CB 3.89Å; M566-F729 HydrophobicContact CB-CB 4.33Å; M566-F729 HydrophobicContact CB-CD1 3.41Å; M566-F729 VanDerWaalsContact CB-CD1 3.41Å; M566-F729 HydrophobicContact CB-CD2 4Å; M566-F729 HydrophobicContact CB-CE1 3.51Å; M566-F729 HydrophobicContact CB-CE2 4.07Å; M566-F729 HydrophobicContact CB-CG 3.65Å; M566-F729 HydrophobicContact CB-CZ 3.83Å; M566-F729 HydrophobicContact CE-CE1 4.34Å; M566-F729 HydrophobicContact CE-CE2 3.7Å; M566-F729 HydrophobicContact CE-CZ 3.59Å; M566-F729 HydrophobicContact CG-CD1 4.23Å; M566-F729 HydrophobicContact CG-CE1 3.84Å; M566-F729 HydrophobicContact CG-CZ 4.07Å
567	V	98.2	Very high	95	Very high	17 Å²	17	36.6 Å²	36.6	10%	0.103	17%	0.172	C	C	.	.	H	α-helix	trans	-57.3	-49.9	169.1	168.8	0	0	0	0	109.9	V563 L569 E570 E571 F729	V563-V567 WeakPolarHBondContact O-CG2 3.46Å; V563-V567 PolarHBondContact O-N 3.39Å; V567-L569 VanDerWaalsContact C-N 3.31Å; V567-L569 PolarHBondContact O-N 3.2Å; V567-E570 PolarHBondContact O-N 3.14Å; V567-E570 VanDerWaalsContact O-N 3.14Å; V567-E571 HydrophobicContact CG1-CG 4.3Å; V567-E571 WeakPolarHBondContact O-CG 3.48Å; V567-E571 PolarHBondContact O-N 2.88Å; V567-F729 VanDerWaalsContact CG2-C 3.46Å; V567-F729 HydrophobicContact CG2-CB 3.86Å; V567-F729 WeakPolarHBondContact CG2-O 3.38Å
568	H	96.8	Very high	95	Very high	24 Å²	24	33.8 Å²	33.8	11%	0.111	16%	0.159	C	C	.	.	H	α-helix	trans	-60.8	-39.3	179.2	-175.8	65	0	0	0	112.4	H508 G564 G565 M566 E571 Q572	H508-H568 HydrophobicContact CB-CB 4Å; H508-H568 VanDerWaalsContact CB-CD2 3.46Å; H508-H568 WeakPolarHBondContact CB-CD2 3.42Å; H508-H568 AromaticContact CG-CG 3.9Å; G564-H568 PolarHBondContact O-N 3.29Å; G565-H568 PolarHBondContact O-N 3.41Å; M566-H568 VanDerWaalsContact C-N 3.34Å; H568-E571 PolarHBondContact O-N 3.29Å; H568-Q572 WeakPolarHBondContact O-CB 3.43Å; H568-Q572 VanDerWaalsContact O-CG 3.3Å; H568-Q572 WeakPolarHBondContact O-CG 3.31Å; H568-Q572 PolarHBondContact O-N 2.81Å
569	L	96	Very high	95.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.4	-41.1	175	-62.1	-172.9	0	0	0	112.3	L506 V511 G565 M566 V567 Q572 H573 Y574 H576 V594 F597	L506-L569 HydrophobicContact CD1-CD2 3.63Å; L506-L569 HydrophobicContact CD2-CD2 4.12Å; L506-L569 HydrophobicContact CG-CD2 4.39Å; V511-L569 HydrophobicContact CG2-CD2 4.43Å; G565-L569 PolarHBondContact O-N 3Å; M566-L569 HydrophobicContact CE-CB 4.5Å; M566-L569 HydrophobicContact CE-CD1 4.13Å; M566-L569 PolarHBondContact O-N 3.32Å; M566-L569 HydrophobicContact SD-CD1 3.91Å; V567-L569 VanDerWaalsContact C-N 3.31Å; V567-L569 PolarHBondContact O-N 3.2Å; L569-Q572 CarbonylContact O-C 3.59Å; L569-Q572 PolarHBondContact O-N 3.1Å; L569-H573 PolarHBondContact O-N 3.04Å; L569-H573 VanDerWaalsContact O-N 3.1Å; L569-Y574 HydrophobicContact CD2-CD1 4.44Å; L569-Y574 PolarHBondContact O-N 2.83Å; L569-H576 HydrophobicContact CD1-CB 4.43Å; L569-V594 HydrophobicContact CD1-CG1 4.02Å; L569-F597 HydrophobicContact CD1-CB 4.3Å
570	E	95.7	Very high	95	Very high	40 Å²	40	35.6 Å²	35.6	19%	0.187	17%	0.165	C	C	.	.	H	α-helix	trans	-63.6	-41.7	175.8	179.7	163.3	-109.5	0	0	112.2	M566 V567 H573 T634 S728 F729	M566-E570 PolarHBondContact O-N 2.61Å; V567-E570 PolarHBondContact O-N 3.14Å; V567-E570 VanDerWaalsContact O-N 3.14Å; E570-H573 PolarHBondContact O-N 3.23Å; E570-H573 VanDerWaalsContact O-N 3.1Å; E570-H573 PolarHBondContact O-ND1 2.97Å; E570-H573 VanDerWaalsContact O-ND1 3.16Å; E570-T634 HydrophobicContact CB-CG2 4.33Å; E570-T634 HydrophobicContact CG-CG2 4.25Å; E570-T634 PolarHBondContact OE1-OG1 2.89Å; E570-S728 WeakPolarHBondContact OE2-CB 3.31Å; E570-F729 HydrophobicContact CB-CD2 4.08Å; E570-F729 WeakPolarHBondContact OE2-CB 3.42Å; E570-F729 PolarHBondContact OE2-N 2.94Å
571	E	95.6	Very high	95.1	Very high	118 Å²	118	33.3 Å²	33.3	55%	0.551	16%	0.155	S	C	*	.	H	α-helix	trans	-63.3	-38.4	174.3	-72.3	175.4	163.9	0	0	112.9	V567 H568 H573	V567-E571 HydrophobicContact CG1-CG 4.3Å; V567-E571 WeakPolarHBondContact O-CG 3.48Å; V567-E571 PolarHBondContact O-N 2.88Å; H568-E571 PolarHBondContact O-N 3.29Å; E571-H573 PolarHBondContact O-N 2.85Å
572	Q	93.4	Very high	95	Very high	107 Å²	107	32.7 Å²	32.7	50%	0.5	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	9.6	174.5	-59.2	-55.3	-73.8	0	0	113.1	L506 H568 L569 Y574	L506-Q572 HydrophobicContact CD2-CB 3.67Å; L506-Q572 HydrophobicContact CD2-CG 3.71Å; H568-Q572 WeakPolarHBondContact O-CB 3.43Å; H568-Q572 VanDerWaalsContact O-CG 3.3Å; H568-Q572 WeakPolarHBondContact O-CG 3.31Å; H568-Q572 PolarHBondContact O-N 2.81Å; L569-Q572 CarbonylContact O-C 3.59Å; L569-Q572 PolarHBondContact O-N 3.1Å; Q572-Y574 PolarHBondContact O-N 2.82Å; Q572-Y574 VanDerWaalsContact O-N 3.16Å
573	H	91.7	Very high	94.8	Very high	167 Å²	167	33 Å²	33	77%	0.773	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	27.1	-179.6	-56.1	-21.8	0	0	0	114.6	L569 E570 E571	L569-H573 PolarHBondContact O-N 3.04Å; L569-H573 VanDerWaalsContact O-N 3.1Å; E570-H573 PolarHBondContact O-N 3.23Å; E570-H573 VanDerWaalsContact O-N 3.1Å; E570-H573 PolarHBondContact O-ND1 2.97Å; E570-H573 VanDerWaalsContact O-ND1 3.16Å; E571-H573 PolarHBondContact O-N 2.85Å
574	Y	91.2	Very high	94.8	Very high	16 Å²	16	33 Å²	33	6%	0.063	16%	0.156	C	C	.	.			trans	-95	135.8	-176.7	-156.6	-83.1	0	0	0	110.8	L502 M503 L506 L569 Q572 F597	L502-Y574 HydrophobicContact CB-CE2 4.09Å; M503-Y574 HydrophobicContact CG-CE2 4.46Å; M503-Y574 WeakPolarHBondContact CG-OH 3.13Å; L506-Y574 HydrophobicContact CD1-CD1 4.35Å; L506-Y574 HydrophobicContact CD1-CD2 4.04Å; L506-Y574 HydrophobicContact CD1-CE2 4.21Å; L506-Y574 HydrophobicContact CD1-CG 4.09Å; L569-Y574 HydrophobicContact CD2-CD1 4.44Å; L569-Y574 PolarHBondContact O-N 2.83Å; Q572-Y574 PolarHBondContact O-N 2.82Å; Q572-Y574 VanDerWaalsContact O-N 3.16Å; Y574-F597 HydrophobicContact CD1-CB 4.38Å; Y574-F597 HydrophobicContact CE1-CB 3.87Å; Y574-F597 AromaticContact CE1-CD2 3.86Å; Y574-F597 HydrophobicContact CE1-CD2 3.86Å; Y574-F597 HydrophobicContact CE1-CG 4.33Å; Y574-F597 PolarHBondContact OH-O 3.32Å
575	V	92	Very high	94.7	Very high	29 Å²	29	34.9 Å²	34.9	18%	0.176	16%	0.164	C	C	.	.			trans	-108.9	124.6	-178.5	-174.7	0	0	0	0	109.7	R577 D637	V575-R577 HydrophobicContact CB-CG 4.37Å; V575-R577 HydrophobicContact CG1-CG 3.76Å; V575-D637 WeakPolarHBondContact CA-OD2 3.2Å; V575-D637 VanDerWaalsContact CG1-OD2 3.31Å; V575-D637 WeakPolarHBondContact CG1-OD2 3.31Å
576	H	92.9	Very high	94.5	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	16%	0.164	C	C	.	.			trans	-75.7	-41.4	-172.5	-166.5	-62.4	0	0	0	113.2	M566 L569 D578 L579 V594 A595 D637	M566-H576 HydrophobicContact CE-CB 4.06Å; L569-H576 HydrophobicContact CD1-CB 4.43Å; H576-D578 PolarHBondContact CE1-O 2.9Å; H576-D578 VanDerWaalsContact ND1-C 3.28Å; H576-D578 PolarHBondContact ND1-O 3.41Å; H576-D578 PolarHBondContact O-N 3.09Å; H576-L579 HydrophobicContact CB-CB 4.49Å; H576-L579 PolarHBondContact ND1-N 3.38Å; H576-V594 WeakPolarHBondContact CD2-CG1 3.41Å; H576-V594 WeakPolarHBondContact NE2-CG1 3.42Å; H576-A595 PolarHBondContact CE1-O 2.77Å; H576-A595 VanDerWaalsContact CE1-O 3.23Å; H576-A595 PolarHBondContact NE2-O 3.26Å; H576-D637 PolarHBondContact N-OD2 2.97Å
577	R	91.1	Very high	93.9	Very high	71 Å²	71	35 Å²	35	27%	0.268	17%	0.165	S	C	.	.	S	Bend	trans	66.7	-28.5	177.7	-45.8	-174.3	-167.9	-175.6	6.4	116.7	V575 H601 Y632 D637	V575-R577 HydrophobicContact CB-CG 4.37Å; V575-R577 HydrophobicContact CG1-CG 3.76Å; R577-H601 VanDerWaalsContact CZ-CD2 3.48Å; R577-H601 PolarHBondContact NH1-CD2 2.65Å; R577-H601 PolarHBondContact NH1-ND1 3.47Å; R577-H601 PolarHBondContact NH2-CD2 2.91Å; R577-H601 PolarHBondContact NH2-NE2 3.42Å; R577-Y632 HydrophobicContact CB-CD1 4.12Å; R577-Y632 HydrophobicContact CB-CG 4.46Å; R577-Y632 HydrophobicContact CG-CD1 4.28Å; R577-Y632 HydrophobicContact CG-CG 4.16Å; R577-D637 PolarHBondContact N-OD1 2.82Å
578	D	90	Very high	93.2	Very high	9 Å²	9	37.2 Å²	37.2	5%	0.048	18%	0.181	C	C	.	.			trans	-129.2	60.2	178	-172.3	19.3	0	0	0	112.6	H576 R580 N583 P618	H576-D578 PolarHBondContact CE1-O 2.9Å; H576-D578 VanDerWaalsContact ND1-C 3.28Å; H576-D578 PolarHBondContact ND1-O 3.41Å; H576-D578 PolarHBondContact O-N 3.09Å; D578-R580 WeakPolarHBondContact OD1-CD 3.49Å; D578-R580 IonicContact OD1-CZ 2.7Å; D578-R580 IonicContact OD1-NE 3.2Å; D578-R580 PolarHBondContact OD1-NE 3.36Å; D578-R580 IonicContact OD1-NH2 2.81Å; D578-R580 IonicContact OD2-CZ 3.54Å; D578-R580 IonicContact OD2-NE 3.47Å; D578-R580 PolarHBondContact OD2-NE 2.91Å; D578-R580 IonicContact OD2-NH2 3.52Å; D578-R580 PolarHBondContact OD2-NH2 3.24Å; D578-N583 PolarHBondContact O-ND2 3.37Å; D578-N583 PolarHBondContact OD2-ND2 3.23Å; D578-P618 WeakPolarHBondContact OD1-CG 3.37Å
579	L	95.5	Very high	92.4	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.198	C	C	.	.			trans	-90.7	109.1	-177.7	-178.1	65.5	0	0	0	111.6	M566 H576 I584 V594 F641 L644	M566-L579 HydrophobicContact CE-CD2 4.02Å; M566-L579 HydrophobicContact CG-CD2 3.96Å; M566-L579 HydrophobicContact SD-CD1 3.87Å; M566-L579 HydrophobicContact SD-CD2 3.71Å; M566-L579 HydrophobicContact SD-CG 4.41Å; H576-L579 HydrophobicContact CB-CB 4.49Å; H576-L579 PolarHBondContact ND1-N 3.38Å; L579-I584 HydrophobicContact CD1-CD1 3.91Å; L579-V594 HydrophobicContact CD1-CG1 4.41Å; L579-F641 HydrophobicContact CD2-CB 3.79Å; L579-L644 HydrophobicContact CD1-CD2 3.78Å; L579-L644 HydrophobicContact CD2-CD2 4.48Å; L579-L644 HydrophobicContact CG-CD2 3.86Å
580	R	95.5	Very high	91.7	Very high	56 Å²	56	45.1 Å²	45.1	21%	0.211	22%	0.219	C	C	.	.	S	Bend	trans	-158.3	165.1	-176.2	54.9	177.5	163.4	103.3	10.3	112	D578 S582 N583 I584 W621	D578-R580 WeakPolarHBondContact OD1-CD 3.49Å; D578-R580 IonicContact OD1-CZ 2.7Å; D578-R580 IonicContact OD1-NE 3.2Å; D578-R580 PolarHBondContact OD1-NE 3.36Å; D578-R580 IonicContact OD1-NH2 2.81Å; D578-R580 IonicContact OD2-CZ 3.54Å; D578-R580 IonicContact OD2-NE 3.47Å; D578-R580 PolarHBondContact OD2-NE 2.91Å; D578-R580 IonicContact OD2-NH2 3.52Å; D578-R580 PolarHBondContact OD2-NH2 3.24Å; R580-S582 PolarHBondContact NH1-OG 3.45Å; R580-S582 PolarHBondContact O-N 2.8Å; R580-N583 HydrophobicContact CG-CB 4.37Å; R580-N583 PolarHBondContact NH2-OD1 3.02Å; R580-N583 PolarHBondContact O-N 2.9Å; R580-I584 PolarHBondContact O-N 3.14Å; R580-W621 VanDerWaalsContact CB-CD1 3.45Å; R580-W621 HydrophobicContact CB-CD2 4.05Å; R580-W621 HydrophobicContact CB-CG 3.91Å; R580-W621 HydrophobicContact CB-CZ2 4.48Å; R580-W621 VanDerWaalsContact CB-NE1 3.34Å
581	A	96.4	Very high	91.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-10.5	-174.4	0	0	0	0	0	114.8	L538 K539 L644 E647	L538-A581 WeakPolarHBondContact CB-O 3.36Å; L538-A581 PolarHBondContact N-O 3.25Å; K539-A581 HydrophobicContact CB-CB 4.49Å; K539-A581 PolarHBondContact N-O 2.88Å; A581-L644 HydrophobicContact CB-CD1 3.77Å; A581-E647 HydrophobicContact CB-CB 4.12Å; A581-E647 HydrophobicContact CB-CG 4.46Å; A581-E647 WeakPolarHBondContact CB-OE1 3.33Å; A581-E647 WeakPolarHBondContact CB-OE2 3.34Å; A581-E647 PolarHBondContact N-OE2 2.81Å
582	S	92.9	Very high	91.3	Very high	26 Å²	26	41.5 Å²	41.5	18%	0.182	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-27	170	-49.3	0	0	0	0	112.9	S537 R580	S537-S582 WeakPolarHBondContact CB-O 3.33Å; R580-S582 PolarHBondContact NH1-OG 3.45Å; R580-S582 PolarHBondContact O-N 2.8Å
583	N	94.9	Very high	91.4	Very high	7 Å²	7	37 Å²	37	4%	0.037	18%	0.178	C	C	.	.	S	Bend	trans	-105.6	7.2	-174.1	-62.2	8.7	0	0	0	112.1	D578 R580 A595 D596	D578-N583 PolarHBondContact O-ND2 3.37Å; D578-N583 PolarHBondContact OD2-ND2 3.23Å; R580-N583 HydrophobicContact CG-CB 4.37Å; R580-N583 PolarHBondContact NH2-OD1 3.02Å; R580-N583 PolarHBondContact O-N 2.9Å; N583-A595 WeakPolarHBondContact O-CA 3.38Å; N583-A595 WeakPolarHBondContact O-CB 3.48Å; N583-A595 PolarHBondContact O-N 2.93Å; N583-D596 HydrophobicContact CB-CB 4.4Å
584	I	97.6	Very high	91.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.3	160.3	-54.3	-54.5	0	0	0	107	S537 L538 V562 L579 R580 L592 K593 V594 L644	S537-I584 CarbonylContact C-O 3.52Å; S537-I584 WeakPolarHBondContact CA-O 3.43Å; L538-I584 HydrophobicContact CB-CB 3.88Å; L538-I584 HydrophobicContact CB-CG2 4.09Å; L538-I584 HydrophobicContact CD2-CB 4.11Å; L538-I584 HydrophobicContact CD2-CG1 4.44Å; L538-I584 HydrophobicContact CD2-CG2 4.06Å; L538-I584 PolarHBondContact N-O 3.18Å; V562-I584 HydrophobicContact CG1-CD1 4.08Å; V562-I584 HydrophobicContact CG2-CD1 4.08Å; V562-I584 HydrophobicContact CG2-CG1 4.07Å; V562-I584 HydrophobicContact CG2-CG2 3.95Å; L579-I584 HydrophobicContact CD1-CD1 3.91Å; R580-I584 PolarHBondContact O-N 3.14Å; I584-L592 HydrophobicContact CG2-CB 3.79Å; I584-L592 HydrophobicContact CG2-CD2 4.08Å; I584-L592 HydrophobicContact CG2-CG 3.86Å; I584-K593 CarbonylContact C-O 3.55Å; I584-K593 WeakPolarHBondContact CA-O 3.41Å; I584-V594 HydrophobicContact CD1-CB 4.36Å; I584-V594 HydrophobicContact CD1-CG2 3.97Å; I584-L644 HydrophobicContact CD1-CD2 3.95Å; I584-L644 HydrophobicContact CG1-CD1 4.21Å; I584-L644 HydrophobicContact CG1-CD2 3.77Å
585	L	96.5	Very high	91.8	Very high	42 Å²	42	28.4 Å²	28.4	22%	0.22	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	156.1	176.8	-57.3	-174.4	0	0	0	110.9	V512 M533 G536 L592 K593 A595	V512-L585 HydrophobicContact CG2-CB 4.25Å; V512-L585 HydrophobicContact CG2-CD1 4.27Å; M533-L585 HydrophobicContact CB-CB 3.72Å; M533-L585 HydrophobicContact CB-CD1 4.01Å; M533-L585 HydrophobicContact CB-CG 4.47Å; M533-L585 VanDerWaalsContact CE-C 3.48Å; M533-L585 HydrophobicContact CE-CB 3.82Å; M533-L585 WeakPolarHBondContact CE-O 3.43Å; M533-L585 HydrophobicContact CG-CB 3.73Å; M533-L585 HydrophobicContact CG-CD1 3.85Å; M533-L585 HydrophobicContact CG-CG 4.45Å; G536-L585 CarbonylContact O-C 3.59Å; G536-L585 WeakPolarHBondContact O-CA 3.39Å; L585-L592 WeakPolarHBondContact O-CA 3.48Å; L585-K593 PolarHBondContact N-O 2.79Å; L585-K593 PolarHBondContact O-N 3.3Å; L585-A595 HydrophobicContact CD1-CB 3.87Å; L585-A595 HydrophobicContact CG-CB 3.77Å
586	V	91.6	Very high	91.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.8	-175.5	-174.2	0	0	0	0	110.8	M533 N535 G536 L538 Y541 R591 L592	M533-V586 CarbonylContact C-O 3.49Å; N535-V586 HydrophobicContact CB-CB 3.75Å; N535-V586 HydrophobicContact CB-CG1 3.78Å; N535-V586 WeakPolarHBondContact CB-O 3.38Å; N535-V586 PolarHBondContact N-O 3.45Å; N535-V586 VanDerWaalsContact N-O 3.14Å; G536-V586 PolarHBondContact O-N 3.37Å; L538-V586 HydrophobicContact CB-CG2 4.46Å; L538-V586 HydrophobicContact CD1-CG2 4.24Å; Y541-V586 HydrophobicContact CD1-CG1 4.44Å; Y541-V586 HydrophobicContact CD1-CG2 4.18Å; Y541-V586 HydrophobicContact CD2-CB 4.41Å; Y541-V586 HydrophobicContact CD2-CG1 4.05Å; Y541-V586 HydrophobicContact CE1-CG1 4.46Å; Y541-V586 HydrophobicContact CE2-CG1 4.07Å; Y541-V586 HydrophobicContact CG-CB 4.37Å; Y541-V586 HydrophobicContact CG-CG1 4.24Å; Y541-V586 HydrophobicContact CG-CG2 3.98Å; V586-R591 WeakPolarHBondContact CA-O 3.46Å; V586-L592 HydrophobicContact CG1-CD1 4.41Å; V586-L592 HydrophobicContact CG2-CD1 4.01Å; V586-L592 HydrophobicContact CG2-CG 4.2Å
587	D	85.5	Confident	90.7	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	14%	0.143	C	C	.	.			trans	-85	171.1	179.4	89.1	-17.7	0	0	0	112.6	M533 N535 K589 N590 R591	M533-D587 HydrophobicContact CE-CB 3.91Å; M533-D587 HydrophobicContact SD-CB 4.16Å; N535-D587 PolarHBondContact ND2-O 3.38Å; D587-K589 PolarHBondContact O-N 3.32Å; D587-K589 VanDerWaalsContact OD1-C 3.32Å; D587-K589 VanDerWaalsContact OD1-CA 3.28Å; D587-K589 WeakPolarHBondContact OD1-CA 3.4Å; D587-K589 WeakPolarHBondContact OD1-CB 3.35Å; D587-K589 PolarHBondContact OD1-N 2.91Å; D587-K589 IonicContact OD2-NZ 2.67Å; D587-N590 WeakPolarHBondContact O-CA 3.28Å; D587-N590 PolarHBondContact O-N 2.78Å; D587-N590 PolarHBondContact OD1-N 2.9Å; D587-R591 PolarHBondContact N-O 2.83Å; D587-R591 WeakPolarHBondContact OD1-CB 3.39Å; D587-R591 PolarHBondContact OD1-N 3.37Å; D587-R591 IonicContact OD1-NE 3.77Å; D587-R591 IonicContact OD2-CZ 2.66Å; D587-R591 VanDerWaalsContact OD2-CZ 3.25Å; D587-R591 IonicContact OD2-NE 2.76Å; D587-R591 PolarHBondContact OD2-NE 3.2Å; D587-R591 IonicContact OD2-NH2 3.61Å; D587-R591 PolarHBondContact OD2-NH2 3.21Å
588	S	85.3	Confident	89.7	Confident	64 Å²	64	26 Å²	26	45%	0.448	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-5.6	175.2	46	0	0	0	0	115.8	E534	E534-S588 VanDerWaalsContact CD-OG 3.27Å; E534-S588 WeakPolarHBondContact OE1-CB 3.44Å; E534-S588 PolarHBondContact OE1-OG 3.48Å; E534-S588 WeakPolarHBondContact OE2-CB 3.44Å; E534-S588 PolarHBondContact OE2-N 3.25Å; E534-S588 PolarHBondContact OE2-OG 3.39Å
589	K	80	Confident	88.7	Confident	107 Å²	107	25.7 Å²	25.7	47%	0.465	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	10.3	174.4	-54.5	171.2	-155.6	63.8	0	111.3	D587 R591	D587-K589 PolarHBondContact O-N 3.32Å; D587-K589 VanDerWaalsContact OD1-C 3.32Å; D587-K589 VanDerWaalsContact OD1-CA 3.28Å; D587-K589 WeakPolarHBondContact OD1-CA 3.4Å; D587-K589 WeakPolarHBondContact OD1-CB 3.35Å; D587-K589 PolarHBondContact OD1-N 2.91Å; D587-K589 IonicContact OD2-NZ 2.67Å; K589-R591 HydrophobicContact CB-CG 4.31Å; K589-R591 PolarHBondContact O-N 2.81Å
590	N	80.8	Confident	87.2	Confident	83 Å²	83	27 Å²	27	44%	0.444	14%	0.14	S	C	.	.			trans	62	23.4	-176.5	-52.5	-36.6	0	0	0	114.4	N535 Y541 D587	N535-N590 PolarHBondContact ND2-OD1 2.81Å; N535-N590 VanDerWaalsContact ND2-OD1 3.09Å; Y541-N590 WeakPolarHBondContact OH-CB 3.42Å; Y541-N590 PolarHBondContact OH-OD1 3.34Å; D587-N590 WeakPolarHBondContact O-CA 3.28Å; D587-N590 PolarHBondContact O-N 2.78Å; D587-N590 PolarHBondContact OD1-N 2.9Å
591	R	86.9	Confident	85.9	Confident	81 Å²	81	27.9 Å²	27.9	31%	0.306	15%	0.146	S	C	.	.			trans	-83.4	140.1	173	-57.8	-179.8	-61.8	159.1	6.7	110.1	D561 V586 D587 K589	D561-R591 WeakPolarHBondContact OD2-CA 3.45Å; V586-R591 WeakPolarHBondContact CA-O 3.46Å; D587-R591 PolarHBondContact N-O 2.83Å; D587-R591 WeakPolarHBondContact OD1-CB 3.39Å; D587-R591 PolarHBondContact OD1-N 3.37Å; D587-R591 IonicContact OD1-NE 3.77Å; D587-R591 IonicContact OD2-CZ 2.66Å; D587-R591 VanDerWaalsContact OD2-CZ 3.25Å; D587-R591 IonicContact OD2-NE 2.76Å; D587-R591 PolarHBondContact OD2-NE 3.2Å; D587-R591 IonicContact OD2-NH2 3.61Å; D587-R591 PolarHBondContact OD2-NH2 3.21Å; K589-R591 HydrophobicContact CB-CG 4.31Å; K589-R591 PolarHBondContact O-N 2.81Å
592	L	95	Very high	84.4	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	140	178.3	-81.8	58.1	0	0	0	110.2	N510 L538 M558 D561 V562 I584 L585 V586	N510-L592 PolarHBondContact ND2-O 3.37Å; L538-L592 HydrophobicContact CD1-CD1 4.28Å; L538-L592 HydrophobicContact CD1-CD2 3.72Å; L538-L592 HydrophobicContact CD1-CG 4.05Å; L538-L592 HydrophobicContact CD2-CD2 3.63Å; L538-L592 HydrophobicContact CD2-CG 4.47Å; L538-L592 HydrophobicContact CG-CD2 4.27Å; M558-L592 HydrophobicContact CB-CD2 3.62Å; M558-L592 HydrophobicContact CG-CD1 4.08Å; M558-L592 HydrophobicContact CG-CD2 3.92Å; D561-L592 HydrophobicContact CB-CB 3.73Å; D561-L592 PolarHBondContact OD2-N 3.18Å; V562-L592 HydrophobicContact CG2-CB 4.27Å; V562-L592 HydrophobicContact CG2-CD2 3.89Å; I584-L592 HydrophobicContact CG2-CB 3.79Å; I584-L592 HydrophobicContact CG2-CD2 4.08Å; I584-L592 HydrophobicContact CG2-CG 3.86Å; L585-L592 WeakPolarHBondContact O-CA 3.48Å; V586-L592 HydrophobicContact CG1-CD1 4.41Å; V586-L592 HydrophobicContact CG2-CD1 4.01Å; V586-L592 HydrophobicContact CG2-CG 4.2Å
593	K	96.8	Very high	82.9	Confident	12 Å²	12	28.1 Å²	28.1	5%	0.052	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	140.2	174.6	-56.3	-165.1	-178.9	-160.6	0	112	P509 N510 V512 E531 M533 I584 L585	P509-K593 WeakPolarHBondContact O-CE 3.27Å; N510-K593 CarbonylContact O-C 3.46Å; N510-K593 VanDerWaalsContact O-CA 3.31Å; N510-K593 WeakPolarHBondContact O-CA 3.33Å; V512-K593 HydrophobicContact CG2-CB 3.49Å; V512-K593 VanDerWaalsContact CG2-CB 3.49Å; V512-K593 HydrophobicContact CG2-CD 4.19Å; V512-K593 HydrophobicContact CG2-CG 4.48Å; E531-K593 IonicContact OE1-NZ 2.8Å; E531-K593 PolarHBondContact OE1-NZ 3.19Å; E531-K593 IonicContact OE2-NZ 3.63Å; E531-K593 PolarHBondContact OE2-NZ 2.9Å; M533-K593 HydrophobicContact CE-CB 3.8Å; M533-K593 HydrophobicContact CE-CD 3.76Å; M533-K593 HydrophobicContact CE-CG 3.64Å; M533-K593 HydrophobicContact SD-CD 3.92Å; M533-K593 HydrophobicContact SD-CG 4.47Å; I584-K593 CarbonylContact C-O 3.55Å; I584-K593 WeakPolarHBondContact CA-O 3.41Å; L585-K593 PolarHBondContact N-O 2.79Å; L585-K593 PolarHBondContact O-N 3.3Å
594	V	97.2	Very high	80.9	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	131.1	174.9	-178.6	0	0	0	0	110	N510 V512 M566 L569 H576 L579 I584	N510-V594 PolarHBondContact O-N 2.89Å; V512-V594 PolarHBondContact N-O 2.97Å; M566-V594 HydrophobicContact CG-CG2 4.43Å; M566-V594 HydrophobicContact SD-CG1 3.96Å; M566-V594 HydrophobicContact SD-CG2 4.22Å; L569-V594 HydrophobicContact CD1-CG1 4.02Å; H576-V594 WeakPolarHBondContact CD2-CG1 3.41Å; H576-V594 WeakPolarHBondContact NE2-CG1 3.42Å; L579-V594 HydrophobicContact CD1-CG1 4.41Å; I584-V594 HydrophobicContact CD1-CB 4.36Å; I584-V594 HydrophobicContact CD1-CG2 3.97Å
595	A	93.4	Very high	78.6	Confident	3 Å²	3	33 Å²	33	3%	0.025	18%	0.178	C	C	.	.			trans	-137.5	170	-174.1	0	0	0	0	0	112.3	V512 H576 N583 L585 F597	V512-A595 HydrophobicContact CB-CB 4.03Å; V512-A595 HydrophobicContact CG2-CB 3.67Å; H576-A595 PolarHBondContact CE1-O 2.77Å; H576-A595 VanDerWaalsContact CE1-O 3.23Å; H576-A595 PolarHBondContact NE2-O 3.26Å; N583-A595 WeakPolarHBondContact O-CA 3.38Å; N583-A595 WeakPolarHBondContact O-CB 3.48Å; N583-A595 PolarHBondContact O-N 2.93Å; L585-A595 HydrophobicContact CD1-CB 3.87Å; L585-A595 HydrophobicContact CG-CB 3.77Å; A595-F597 PolarHBondContact O-N 3.43Å; A595-F597 VanDerWaalsContact O-N 3.08Å
596	D	84.6	Confident	76.3	Confident	48 Å²	48	31.8 Å²	31.8	26%	0.257	17%	0.172	S	C	.	.	S	Bend	trans	60.4	12.3	179.5	-81.2	8.9	0	0	0	116	K483 N583 G598 L599	K483-D596 IonicContact NZ-OD1 3.67Å; K483-D596 PolarHBondContact NZ-OD1 3.15Å; K483-D596 IonicContact NZ-OD2 2.94Å; K483-D596 PolarHBondContact NZ-OD2 3.11Å; N583-D596 HydrophobicContact CB-CB 4.4Å; D596-G598 PolarHBondContact O-N 3.44Å; D596-L599 HydrophobicContact CB-CD1 4.03Å; D596-L599 PolarHBondContact O-N 3.27Å; D596-L599 WeakPolarHBondContact OD1-CD1 3.49Å
597	F	77.2	Confident	73.8	Confident	1 Å²	1	37.3 Å²	37.3	0%	0.004	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	126.8	177.5	46.7	-94.6	0	0	0	112.6	M503 L506 V511 V512 I514 L569 Y574 A595 L599	M503-F597 HydrophobicContact CB-CE2 3.97Å; M503-F597 HydrophobicContact CE-CD2 4Å; M503-F597 HydrophobicContact CE-CE2 3.82Å; M503-F597 WeakPolarHBondContact CE-O 3.34Å; M503-F597 HydrophobicContact CG-CD2 4.13Å; M503-F597 HydrophobicContact CG-CE2 3.91Å; L506-F597 HydrophobicContact CD1-CD2 3.77Å; L506-F597 HydrophobicContact CD1-CE2 3.59Å; L506-F597 HydrophobicContact CD1-CZ 4.36Å; V511-F597 HydrophobicContact CG1-CD1 4.12Å; V511-F597 HydrophobicContact CG1-CE1 3.41Å; V511-F597 VanDerWaalsContact CG1-CE1 3.41Å; V511-F597 HydrophobicContact CG1-CZ 3.73Å; V512-F597 WeakPolarHBondContact O-CZ 3.45Å; I514-F597 HydrophobicContact CD1-CZ 4.43Å; I514-F597 HydrophobicContact CG1-CE2 4.32Å; I514-F597 HydrophobicContact CG1-CZ 4.04Å; L569-F597 HydrophobicContact CD1-CB 4.3Å; Y574-F597 HydrophobicContact CD1-CB 4.38Å; Y574-F597 HydrophobicContact CE1-CB 3.87Å; Y574-F597 AromaticContact CE1-CD2 3.86Å; Y574-F597 HydrophobicContact CE1-CD2 3.86Å; Y574-F597 HydrophobicContact CE1-CG 4.33Å; Y574-F597 PolarHBondContact OH-O 3.32Å; A595-F597 PolarHBondContact O-N 3.43Å; A595-F597 VanDerWaalsContact O-N 3.08Å; F597-L599 PolarHBondContact O-N 3.2Å
598	G	69.7	Low	71.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	-12	177.2	0	0	0	0	0	116.4	D596 A600 H601 L602	D596-G598 PolarHBondContact O-N 3.44Å; G598-A600 PolarHBondContact O-N 3.37Å; G598-A600 VanDerWaalsContact O-N 3.16Å; G598-H601 WeakPolarHBondContact O-CA 3.21Å; G598-H601 WeakPolarHBondContact O-CB 3.39Å; G598-H601 PolarHBondContact O-N 2.94Å; G598-L602 PolarHBondContact O-N 3.31Å
599	L	69.5	Low	69.8	Low	4 Å²	4	43.4 Å²	43.4	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-60.5	-32	-178.5	-61.2	-175.7	0	0	0	113.6	K483 M503 I528 D596 F597 H601 L602 L603	K483-L599 HydrophobicContact CD-CD1 4.03Å; M503-L599 HydrophobicContact CE-CD2 3.71Å; M503-L599 HydrophobicContact CE-CG 4.33Å; M503-L599 HydrophobicContact SD-CD2 4.16Å; I528-L599 HydrophobicContact CD1-CD2 3.44Å; I528-L599 VanDerWaalsContact CD1-CD2 3.44Å; D596-L599 HydrophobicContact CB-CD1 4.03Å; D596-L599 PolarHBondContact O-N 3.27Å; D596-L599 WeakPolarHBondContact OD1-CD1 3.49Å; F597-L599 PolarHBondContact O-N 3.2Å; L599-H601 PolarHBondContact O-N 3.46Å; L599-L602 HydrophobicContact CD2-CD1 4.29Å; L599-L602 PolarHBondContact O-N 3.37Å; L599-L603 PolarHBondContact O-N 2.82Å
600	A	64.7	Low	67.8	Low	29 Å²	29	42.6 Å²	42.6	24%	0.24	22%	0.221	C	C	.	.	H	α-helix	trans	-65.5	-23.7	172.9	0	0	0	0	0	113.2	F466 G598 G604	F466-A600 HydrophobicContact CZ-CB 4.31Å; G598-A600 PolarHBondContact O-N 3.37Å; G598-A600 VanDerWaalsContact O-N 3.16Å; A600-G604 PolarHBondContact O-N 3.14Å
601	H	67.9	Low	65.4	Low	73 Å²	73	40.2 Å²	40.2	34%	0.338	22%	0.216	S	C	.	.	H	α-helix	trans	-73.9	-47.7	172.2	-167.6	7.7	0	0	0	111.4	E499 R577 G598 L599 L603 G604	E499-H601 IonicContact OE1-CD2 3.72Å; R577-H601 VanDerWaalsContact CZ-CD2 3.48Å; R577-H601 PolarHBondContact NH1-CD2 2.65Å; R577-H601 PolarHBondContact NH1-ND1 3.47Å; R577-H601 PolarHBondContact NH2-CD2 2.91Å; R577-H601 PolarHBondContact NH2-NE2 3.42Å; G598-H601 WeakPolarHBondContact O-CA 3.21Å; G598-H601 WeakPolarHBondContact O-CB 3.39Å; G598-H601 PolarHBondContact O-N 2.94Å; L599-H601 PolarHBondContact O-N 3.46Å; H601-L603 VanDerWaalsContact C-N 3.28Å; H601-L603 PolarHBondContact O-N 3.43Å; H601-G604 PolarHBondContact O-N 2.62Å
602	L	64.5	Low	62.7	Low	19 Å²	19	40.9 Å²	40.9	10%	0.099	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-32.1	-177.2	-77.6	176.1	0	0	0	114.1	F496 E499 M503 G598 L599	F496-L602 HydrophobicContact CB-CD2 4.41Å; F496-L602 HydrophobicContact CD2-CD1 3.82Å; F496-L602 HydrophobicContact CD2-CD2 4.25Å; F496-L602 HydrophobicContact CD2-CG 4.5Å; F496-L602 HydrophobicContact CE2-CD1 3.98Å; E499-L602 HydrophobicContact CB-CD1 3.98Å; E499-L602 HydrophobicContact CB-CD2 3.6Å; E499-L602 HydrophobicContact CB-CG 3.97Å; E499-L602 HydrophobicContact CG-CD1 3.93Å; E499-L602 HydrophobicContact CG-CD2 4.08Å; E499-L602 HydrophobicContact CG-CG 3.91Å; M503-L602 HydrophobicContact SD-CD1 4.4Å; G598-L602 PolarHBondContact O-N 3.31Å; L599-L602 HydrophobicContact CD2-CD1 4.29Å; L599-L602 PolarHBondContact O-N 3.37Å
603	L	60.7	Low	60.1	Low	12 Å²	12	47 Å²	47	6%	0.063	26%	0.261	C	S	.	.	H	α-helix	trans	-97.7	-18.1	-177.8	-68.4	164.4	0	0	0	112.9	F466 M491 L599 H601 D605 T606 Y609	F466-L603 HydrophobicContact CB-CD1 3.72Å; F466-L603 HydrophobicContact CD1-CD1 3.39Å; F466-L603 HydrophobicContact CE1-CD1 4.21Å; F466-L603 HydrophobicContact CG-CD1 3.8Å; M491-L603 HydrophobicContact CE-CD2 3.38Å; M491-L603 HydrophobicContact CE-CG 4.21Å; L599-L603 PolarHBondContact O-N 2.82Å; H601-L603 VanDerWaalsContact C-N 3.28Å; H601-L603 PolarHBondContact O-N 3.43Å; L603-D605 PolarHBondContact O-N 2.8Å; L603-T606 PolarHBondContact O-N 3.47Å; L603-T606 PolarHBondContact O-OG1 3.1Å; L603-Y609 HydrophobicContact CB-CD2 4.34Å; L603-Y609 WeakPolarHBondContact O-CB 3.46Å
604	G	54.1	Low	57.4	Low	28 Å²	28	54.1 Å²	54.1	29%	0.289	29%	0.294	S	S	.	.	H	α-helix	trans	-66.9	-18.7	179.7	0	0	0	0	0	115.1	A600 H601	A600-G604 PolarHBondContact O-N 3.14Å; H601-G604 PolarHBondContact O-N 2.62Å
605	D	49.5	Very low	55.1	Low	82 Å²	82	59 Å²	59	44%	0.439	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-5.9	177.8	-80.2	-21.8	0	0	0	113.9	R495 L603	R495-D605 IonicContact CZ-OD2 3.58Å; R495-D605 VanDerWaalsContact NH1-CG 3.33Å; R495-D605 IonicContact NH1-OD1 2.68Å; R495-D605 IonicContact NH1-OD2 3.82Å; R495-D605 PolarHBondContact NH1-OD2 3.24Å; L603-D605 PolarHBondContact O-N 2.8Å
606	T	47.6	Very low	53.6	Low	17 Å²	17	62.8 Å²	62.8	10%	0.104	34%	0.34	C	S	.	.	S	Bend	trans	-91.7	136.6	177.4	69.8	0	0	0	0	111.4	L603 E608 Y609 I610	L603-T606 PolarHBondContact O-N 3.47Å; L603-T606 PolarHBondContact O-OG1 3.1Å; T606-E608 PolarHBondContact O-N 2.7Å; T606-E608 VanDerWaalsContact O-N 3.14Å; T606-Y609 WeakPolarHBondContact O-CA 3.19Å; T606-Y609 WeakPolarHBondContact O-CB 3.49Å; T606-Y609 PolarHBondContact O-N 3.21Å; T606-I610 PolarHBondContact O-N 2.82Å; T606-I610 VanDerWaalsContact O-N 3.11Å
607	D	38.4	Very low	52.9	Low	116 Å²	116	62.7 Å²	62.7	62%	0.62	34%	0.337	S	S	*	.	H	α-helix	trans	-58.7	-29.5	179.9	-59.4	-66.9	0	0	0	112.8	Y609 I610 G611	D607-Y609 VanDerWaalsContact C-N 3.28Å; D607-Y609 PolarHBondContact O-N 2.82Å; D607-I610 PolarHBondContact O-N 3.18Å; D607-G611 PolarHBondContact O-N 3.48Å
608	E	44.6	Very low	53.4	Low	139 Å²	139	64.1 Å²	64.1	65%	0.65	35%	0.346	S	S	*	.	H	α-helix	trans	-64.2	-30.2	173.1	-61.4	-179.4	157.3	0	0	112.5	T606 K616	T606-E608 PolarHBondContact O-N 2.7Å; T606-E608 VanDerWaalsContact O-N 3.14Å; E608-K616 PolarHBondContact O-NZ 3.4Å
609	Y	43	Very low	54.4	Low	56 Å²	56	64.7 Å²	64.7	22%	0.22	35%	0.349	C	S	.	.	H	α-helix	trans	-79.5	-36.1	172	-153.6	-90.8	0	0	0	112	F466 L603 T606 D607 G611 K616	F466-Y609 HydrophobicContact CD1-CE2 4.16Å; F466-Y609 AromaticContact CE1-CE2 3.78Å; F466-Y609 HydrophobicContact CE1-CE2 3.78Å; F466-Y609 AromaticContact CE1-CZ 3.96Å; L603-Y609 HydrophobicContact CB-CD2 4.34Å; L603-Y609 WeakPolarHBondContact O-CB 3.46Å; T606-Y609 WeakPolarHBondContact O-CA 3.19Å; T606-Y609 WeakPolarHBondContact O-CB 3.49Å; T606-Y609 PolarHBondContact O-N 3.21Å; D607-Y609 VanDerWaalsContact C-N 3.28Å; D607-Y609 PolarHBondContact O-N 2.82Å; Y609-G611 PolarHBondContact O-N 2.85Å; Y609-K616 HydrophobicContact CE1-CB 4.4Å; Y609-K616 WeakPolarHBondContact O-CD 3.48Å; Y609-K616 PolarHBondContact O-NZ 3.13Å; Y609-K616 PolarHBondContact OH-O 3.37Å
610	I	38.6	Very low	55.7	Low	91 Å²	91	66 Å²	66	47%	0.467	35%	0.354	S	S	.	.	H	α-helix	trans	-62.5	-22.5	172.9	-59.4	174.7	0	0	0	111.9	T606 D607 T612	T606-I610 PolarHBondContact O-N 2.82Å; T606-I610 VanDerWaalsContact O-N 3.11Å; D607-I610 PolarHBondContact O-N 3.18Å; I610-T612 PolarHBondContact O-N 3.47Å; I610-T612 VanDerWaalsContact O-N 3.08Å
611	G	29.7	Very low	57.2	Low	32 Å²	32	66.1 Å²	66.1	33%	0.33	35%	0.348	S	S	.	.	S	Bend	trans	-50	113.5	170.8	0	0	0	0	0	113.1	D607 Y609 K616	D607-G611 PolarHBondContact O-N 3.48Å; Y609-G611 PolarHBondContact O-N 2.85Å; G611-K616 WeakPolarHBondContact O-CE 3.3Å; G611-K616 PolarHBondContact O-NZ 2.86Å
612	T	29.7	Very low	58.5	Low	96 Å²	96	62.9 Å²	62.9	59%	0.589	33%	0.334	S	S	*	.			trans	55.1	89.5	-174.9	64.1	0	0	0	0	115.5	I610 E614 T615	I610-T612 PolarHBondContact O-N 3.47Å; I610-T612 VanDerWaalsContact O-N 3.08Å; T612-E614 PolarHBondContact O-N 2.97Å; T612-T615 PolarHBondContact O-OG1 2.85Å; T612-T615 PolarHBondContact OG1-OG1 3.3Å; T612-T615 VanDerWaalsContact OG1-OG1 3.07Å
613	L	39.9	Very low	60	Low	128 Å²	128	62 Å²	62	67%	0.67	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-14.2	174.3	-93	147.2	0	0	0	116.3
614	E	41.6	Very low	61.7	Low	162 Å²	162	61.7 Å²	61.7	76%	0.757	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-13.6	-170.6	-58.7	-166.5	126.6	0	0	115	T612	T612-E614 PolarHBondContact O-N 2.97Å
615	T	48.3	Very low	63.6	Low	104 Å²	104	61.7 Å²	61.7	64%	0.638	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.8	-13.6	-161.3	54.8	0	0	0	0	116.8	T612	T612-T615 PolarHBondContact O-OG1 2.85Å; T612-T615 PolarHBondContact OG1-OG1 3.3Å; T612-T615 VanDerWaalsContact OG1-OG1 3.07Å
616	K	61.4	Low	65.6	Low	82 Å²	82	57.8 Å²	57.8	36%	0.357	30%	0.3	S	S	.	.	S	Bend	trans	-101.3	-4.4	-165.9	-75.9	175.6	177.3	162.2	0	117.7	E608 Y609 G611	E608-K616 PolarHBondContact O-NZ 3.4Å; Y609-K616 HydrophobicContact CE1-CB 4.4Å; Y609-K616 WeakPolarHBondContact O-CD 3.48Å; Y609-K616 PolarHBondContact O-NZ 3.13Å; Y609-K616 PolarHBondContact OH-O 3.37Å; G611-K616 WeakPolarHBondContact O-CE 3.3Å; G611-K616 PolarHBondContact O-NZ 2.86Å
617	Y	70.3	Confident	67.6	Low	46 Å²	46	57.1 Å²	57.1	18%	0.18	30%	0.295	C	S	.	.	S	Bend	trans	-115.4	151.6	-176.4	72.6	-85.2	0	0	0	113.2	V619 T622 I627	Y617-V619 VanDerWaalsContact C-N 3.29Å; Y617-V619 HydrophobicContact CD2-CG2 4Å; Y617-V619 HydrophobicContact CE1-CG2 4.44Å; Y617-V619 HydrophobicContact CE2-CG2 3.69Å; Y617-V619 PolarHBondContact O-N 3.1Å; Y617-T622 HydrophobicContact CD2-CG2 4.48Å; Y617-I627 HydrophobicContact CE2-CG1 4.47Å
618	P	87.4	Confident	70	Confident	30 Å²	30	56.9 Å²	56.9	20%	0.195	29%	0.293	C	S	.	.			trans	-79.4	67.1	-168.7	35.2	-40.5	0	0	0	112.4	D578 R620 W621 T622	D578-P618 WeakPolarHBondContact OD1-CG 3.37Å; P618-R620 PolarHBondContact O-N 3.27Å; P618-W621 HydrophobicContact CB-CB 4.46Å; P618-W621 HydrophobicContact CB-CE3 3.91Å; P618-W621 PolarHBondContact O-N 3.5Å; P618-T622 VanDerWaalsContact C-OG1 3.24Å; P618-T622 PolarHBondContact O-N 3.04Å; P618-T622 PolarHBondContact O-OG1 2.9Å
619	V	92.1	Very high	72	Confident	12 Å²	12	58.2 Å²	58.2	7%	0.073	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-41.5	-171.9	-179.7	0	0	0	0	113.8	Y617 W621 T622 I627 V661 K665	Y617-V619 VanDerWaalsContact C-N 3.29Å; Y617-V619 HydrophobicContact CD2-CG2 4Å; Y617-V619 HydrophobicContact CE1-CG2 4.44Å; Y617-V619 HydrophobicContact CE2-CG2 3.69Å; Y617-V619 PolarHBondContact O-N 3.1Å; V619-W621 PolarHBondContact O-N 3.19Å; V619-T622 PolarHBondContact O-N 3.47Å; V619-I627 HydrophobicContact CG1-CD1 4.21Å; V619-V661 HydrophobicContact CB-CG1 3.8Å; V619-V661 HydrophobicContact CG1-CG1 4.02Å; V619-V661 HydrophobicContact CG2-CG1 3.65Å; V619-K665 HydrophobicContact CG1-CB 4.19Å
620	R	96.1	Very high	74	Confident	32 Å²	32	60.1 Å²	60.1	12%	0.121	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.4	-178.7	-63.9	171.2	-179.7	-75.6	-5.3	114.2	P618 P655 Y656 F659 V664	P618-R620 PolarHBondContact O-N 3.27Å; R620-P655 HydrophobicContact CB-CB 4.41Å; R620-P655 WeakPolarHBondContact CD-O 3.35Å; R620-P655 PolarHBondContact NH1-O 3.18Å; R620-Y656 PolarHBondContact NH1-O 3.07Å; R620-F659 PolarHBondContact NH1-O 3.45Å; R620-F659 PolarHBondContact NH2-O 3.49Å; R620-V664 HydrophobicContact CG-CG1 4.44Å
621	W	96.7	Very high	76.4	Confident	31 Å²	31	57.8 Å²	57.8	12%	0.117	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-18.3	176	-64.2	-100.4	0	0	0	112.8	R580 P618 V619 S640 I643 E647 L654 P655	R580-W621 VanDerWaalsContact CB-CD1 3.45Å; R580-W621 HydrophobicContact CB-CD2 4.05Å; R580-W621 HydrophobicContact CB-CG 3.91Å; R580-W621 HydrophobicContact CB-CZ2 4.48Å; R580-W621 VanDerWaalsContact CB-NE1 3.34Å; P618-W621 HydrophobicContact CB-CB 4.46Å; P618-W621 HydrophobicContact CB-CE3 3.91Å; P618-W621 PolarHBondContact O-N 3.5Å; V619-W621 PolarHBondContact O-N 3.19Å; W621-S640 PolarHBondContact O-OG 3.49Å; W621-S640 VanDerWaalsContact O-OG 3.1Å; W621-I643 HydrophobicContact CG-CB 4.5Å; W621-I643 HydrophobicContact CG-CG2 3.93Å; W621-E647 WeakPolarHBondContact CZ2-OE1 3.27Å; W621-E647 VanDerWaalsContact NE1-CD 3.27Å; W621-E647 PolarHBondContact NE1-OE2 2.76Å; W621-L654 HydrophobicContact CH2-CD1 4.06Å; W621-P655 HydrophobicContact CZ2-CG 4.04Å
622	T	94.5	Very high	79.3	Confident	6 Å²	6	59.7 Å²	59.7	4%	0.037	30%	0.3	C	S	.	.	S	Bend	trans	-74.8	139.8	-172.6	-49.7	0	0	0	0	111.3	Y617 P618 V619 I627 Y632 W639	Y617-T622 HydrophobicContact CD2-CG2 4.48Å; P618-T622 VanDerWaalsContact C-OG1 3.24Å; P618-T622 PolarHBondContact O-N 3.04Å; P618-T622 PolarHBondContact O-OG1 2.9Å; V619-T622 PolarHBondContact O-N 3.47Å; T622-I627 HydrophobicContact CG2-CG1 3.75Å; T622-I627 WeakPolarHBondContact O-CD1 3.46Å; T622-Y632 HydrophobicContact CG2-CE1 4.3Å; T622-W639 PolarHBondContact O-NE1 2.75Å
623	A	96.5	Very high	82.3	Confident	1 Å²	1	57 Å²	57	1%	0.008	29%	0.285	C	S	.	.			trans	-70	155.2	175.1	0	0	0	0	0	112.6	E625 G626 I627 W639	A623-E625 VanDerWaalsContact C-N 3.28Å; A623-E625 WeakPolarHBondContact CB-OE1 3.46Å; A623-E625 PolarHBondContact O-N 3.15Å; A623-G626 CarbonylContact O-C 3.59Å; A623-G626 WeakPolarHBondContact O-CA 3.49Å; A623-G626 PolarHBondContact O-N 3.41Å; A623-I627 WeakPolarHBondContact O-CG1 3.36Å; A623-I627 PolarHBondContact O-N 3.24Å; A623-W639 HydrophobicContact CB-CB 3.78Å; A623-W639 HydrophobicContact CB-CD2 4.05Å; A623-W639 HydrophobicContact CB-CG 3.66Å
624	P	95.4	Very high	85	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.032	26%	0.262	C	S	.	.	H	α-helix	trans	-53.5	-41	-178.5	-26.3	33.9	0	0	0	113.8	I627 L628 W639 V668 I721	P624-I627 PolarHBondContact O-N 3.5Å; P624-L628 VanDerWaalsContact O-CB 3.31Å; P624-L628 WeakPolarHBondContact O-CB 3.17Å; P624-L628 VanDerWaalsContact O-CG 3.28Å; P624-L628 WeakPolarHBondContact O-CG 3.31Å; P624-L628 PolarHBondContact O-N 2.87Å; P624-W639 VanDerWaalsContact CD-CZ3 3.46Å; P624-W639 HydrophobicContact CG-CE3 4.28Å; P624-W639 HydrophobicContact CG-CH2 3.69Å; P624-W639 HydrophobicContact CG-CZ2 4.25Å; P624-W639 HydrophobicContact CG-CZ3 3.68Å; P624-V668 HydrophobicContact CG-CG1 3.95Å; P624-I721 HydrophobicContact CB-CD1 4.02Å; P624-I721 HydrophobicContact CG-CD1 3.9Å
625	E	93.9	Very high	87.7	Confident	27 Å²	27	46.9 Å²	46.9	13%	0.126	24%	0.236	C	C	.	.	H	α-helix	trans	-69.5	-30.1	177	70.1	-74.4	176.6	0	0	113.4	A623 K629 H630 A631 S636 P723 R726	A623-E625 VanDerWaalsContact C-N 3.28Å; A623-E625 WeakPolarHBondContact CB-OE1 3.46Å; A623-E625 PolarHBondContact O-N 3.15Å; E625-K629 CarbonylContact O-C 3.59Å; E625-K629 WeakPolarHBondContact O-CA 3.42Å; E625-K629 WeakPolarHBondContact O-CB 3.49Å; E625-K629 PolarHBondContact O-N 3.24Å; E625-H630 PolarHBondContact O-N 3.48Å; E625-A631 HydrophobicContact CB-CB 4.34Å; E625-A631 HydrophobicContact CG-CB 4.33Å; E625-A631 PolarHBondContact O-N 3.11Å; E625-S636 WeakPolarHBondContact OE1-CB 3.5Å; E625-P723 HydrophobicContact CG-CG 4.16Å; E625-R726 IonicContact OE1-CZ 2.7Å; E625-R726 IonicContact OE1-NH1 2.62Å; E625-R726 PolarHBondContact OE1-NH1 3.45Å; E625-R726 IonicContact OE1-NH2 2.61Å; E625-R726 PolarHBondContact OE1-NH2 3.44Å; E625-R726 IonicContact OE2-CZ 2.58Å; E625-R726 IonicContact OE2-NH1 2.71Å; E625-R726 IonicContact OE2-NH2 2.6Å; E625-R726 PolarHBondContact OE2-NH2 2.93Å
626	G	91.5	Very high	90	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-71.9	-38.1	169.8	0	0	0	0	0	112.4	A623 H630	A623-G626 CarbonylContact O-C 3.59Å; A623-G626 WeakPolarHBondContact O-CA 3.49Å; A623-G626 PolarHBondContact O-N 3.41Å; G626-H630 WeakPolarHBondContact O-CA 3.45Å; G626-H630 PolarHBondContact O-N 3.27Å
627	I	90.2	Very high	91.7	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.015	19%	0.19	C	C	.	.	H	α-helix	trans	-69.2	-35.1	177.7	-69.5	174.3	0	0	0	112.5	Y617 V619 T622 A623 P624 K665 V668	Y617-I627 HydrophobicContact CE2-CG1 4.47Å; V619-I627 HydrophobicContact CG1-CD1 4.21Å; T622-I627 HydrophobicContact CG2-CG1 3.75Å; T622-I627 WeakPolarHBondContact O-CD1 3.46Å; A623-I627 WeakPolarHBondContact O-CG1 3.36Å; A623-I627 PolarHBondContact O-N 3.24Å; P624-I627 PolarHBondContact O-N 3.5Å; I627-K665 HydrophobicContact CG2-CB 4.23Å; I627-K665 HydrophobicContact CG2-CD 3.73Å; I627-K665 HydrophobicContact CG2-CG 3.57Å; I627-V668 HydrophobicContact CD1-CG1 4.39Å
628	L	88.8	Confident	93	Very high	111 Å²	111	36 Å²	36	58%	0.581	18%	0.181	S	C	*	.	H	α-helix	trans	-100.9	-27.7	-172.4	-66.3	174.2	0	0	0	114.4	P624 C669	P624-L628 VanDerWaalsContact O-CB 3.31Å; P624-L628 WeakPolarHBondContact O-CB 3.17Å; P624-L628 VanDerWaalsContact O-CG 3.28Å; P624-L628 WeakPolarHBondContact O-CG 3.31Å; P624-L628 PolarHBondContact O-N 2.87Å; L628-C669 HydrophobicContact CD1-CB 4.31Å
629	K	87	Confident	93.5	Very high	167 Å²	167	34.6 Å²	34.6	73%	0.726	17%	0.172	S	C	*	.	H	α-helix	trans	-133.3	0.3	-172.4	-55.5	-178.6	-179.3	178.4	0	113.9	E625 A631	E625-K629 CarbonylContact O-C 3.59Å; E625-K629 WeakPolarHBondContact O-CA 3.42Å; E625-K629 WeakPolarHBondContact O-CB 3.49Å; E625-K629 PolarHBondContact O-N 3.24Å; K629-A631 HydrophobicContact CB-CB 4.23Å; K629-A631 PolarHBondContact O-N 3.04Å; K629-A631 VanDerWaalsContact O-N 3.15Å
630	H	84.9	Confident	93.8	Very high	96 Å²	96	34.3 Å²	34.3	44%	0.444	17%	0.17	S	C	.	.			trans	51.5	31.1	-169	-57.7	-67.6	0	0	0	113.3	E625 G626 Y632	E625-H630 PolarHBondContact O-N 3.48Å; G626-H630 WeakPolarHBondContact O-CA 3.45Å; G626-H630 PolarHBondContact O-N 3.27Å; H630-Y632 HydrophobicContact CB-CE2 4.01Å; H630-Y632 WeakPolarHBondContact O-CD2 3.28Å; H630-Y632 WeakPolarHBondContact O-CE2 3.48Å; H630-Y632 PolarHBondContact O-N 2.93Å
631	A	88.5	Confident	94	Very high	43 Å²	43	33 Å²	33	36%	0.355	17%	0.165	S	C	.	.			trans	-85.9	103.9	178.8	0	0	0	0	0	109.9	E625 K629	E625-A631 HydrophobicContact CB-CB 4.34Å; E625-A631 HydrophobicContact CG-CB 4.33Å; E625-A631 PolarHBondContact O-N 3.11Å; K629-A631 HydrophobicContact CB-CB 4.23Å; K629-A631 PolarHBondContact O-N 3.04Å; K629-A631 VanDerWaalsContact O-N 3.15Å
632	Y	90.8	Very high	94	Very high	72 Å²	72	31.5 Å²	31.5	28%	0.282	16%	0.16	S	C	.	.			trans	-104.1	137.9	178.9	-58.3	-83.2	0	0	0	111.3	R577 T622 H630	R577-Y632 HydrophobicContact CB-CD1 4.12Å; R577-Y632 HydrophobicContact CB-CG 4.46Å; R577-Y632 HydrophobicContact CG-CD1 4.28Å; R577-Y632 HydrophobicContact CG-CG 4.16Å; T622-Y632 HydrophobicContact CG2-CE1 4.3Å; H630-Y632 HydrophobicContact CB-CE2 4.01Å; H630-Y632 WeakPolarHBondContact O-CD2 3.28Å; H630-Y632 WeakPolarHBondContact O-CE2 3.48Å; H630-Y632 PolarHBondContact O-N 2.93Å
633	S	93.5	Very high	94.2	Very high	39 Å²	39	31.2 Å²	31.2	27%	0.273	16%	0.158	S	C	.	.			trans	-158.1	170.7	-179.4	62.8	0	0	0	0	110.7	K635 S636 D637	S633-K635 PolarHBondContact O-N 3.28Å; S633-K635 PolarHBondContact OG-N 2.96Å; S633-S636 PolarHBondContact N-OG 3.1Å; S633-S636 WeakPolarHBondContact O-CA 3.4Å; S633-S636 WeakPolarHBondContact O-CB 3.38Å; S633-S636 PolarHBondContact O-N 3.37Å; S633-S636 PolarHBondContact O-OG 3.38Å; S633-S636 PolarHBondContact OG-N 3.32Å; S633-D637 PolarHBondContact O-N 2.88Å; S633-D637 VanDerWaalsContact O-N 3.07Å
634	T	95.5	Very high	94.3	Very high	31 Å²	31	31.1 Å²	31.1	19%	0.19	16%	0.158	C	C	.	.	H	α-helix	trans	-56.6	-33.4	172.3	63.1	0	0	0	0	111.6	E570 S636 D637 V638	E570-T634 HydrophobicContact CB-CG2 4.33Å; E570-T634 HydrophobicContact CG-CG2 4.25Å; E570-T634 PolarHBondContact OE1-OG1 2.89Å; T634-S636 VanDerWaalsContact C-N 3.31Å; T634-S636 PolarHBondContact O-N 3Å; T634-D637 CarbonylContact O-C 3.54Å; T634-D637 WeakPolarHBondContact O-CA 3.35Å; T634-D637 WeakPolarHBondContact O-CB 3.46Å; T634-D637 PolarHBondContact O-N 3.14Å; T634-D637 VanDerWaalsContact O-N 3.1Å; T634-V638 WeakPolarHBondContact O-CG2 3.42Å; T634-V638 PolarHBondContact O-N 2.9Å
635	K	98	Very high	94.5	Very high	46 Å²	46	31 Å²	31	20%	0.2	16%	0.157	C	C	.	.	H	α-helix	trans	-65	-29.7	173.1	-59.4	-58.9	-162.3	167.7	0	113.6	S633 W639 P723 D724 R726	S633-K635 PolarHBondContact O-N 3.28Å; S633-K635 PolarHBondContact OG-N 2.96Å; K635-W639 PolarHBondContact O-N 3.15Å; K635-P723 HydrophobicContact CB-CB 3.81Å; K635-P723 VanDerWaalsContact CD-O 3.25Å; K635-P723 WeakPolarHBondContact CD-O 3.37Å; K635-P723 HydrophobicContact CG-CB 4.36Å; K635-P723 WeakPolarHBondContact CG-O 3.5Å; K635-D724 PolarHBondContact NZ-O 3.36Å; K635-R726 HydrophobicContact CD-CB 4.44Å; K635-R726 PolarHBondContact NZ-O 2.81Å; K635-R726 VanDerWaalsContact O-CD 3.31Å; K635-R726 WeakPolarHBondContact O-CD 3.46Å; K635-R726 PolarHBondContact O-NH1 3.41Å
636	S	96.3	Very high	94.6	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-75.9	-30.9	171.5	75.9	0	0	0	0	111.9	E625 S633 T634 W639 S640	E625-S636 WeakPolarHBondContact OE1-CB 3.5Å; S633-S636 PolarHBondContact N-OG 3.1Å; S633-S636 WeakPolarHBondContact O-CA 3.4Å; S633-S636 WeakPolarHBondContact O-CB 3.38Å; S633-S636 PolarHBondContact O-N 3.37Å; S633-S636 PolarHBondContact O-OG 3.38Å; S633-S636 PolarHBondContact OG-N 3.32Å; T634-S636 VanDerWaalsContact C-N 3.31Å; T634-S636 PolarHBondContact O-N 3Å; S636-W639 PolarHBondContact O-N 3.32Å; S636-S640 PolarHBondContact O-N 3.05Å; S636-S640 PolarHBondContact O-OG 3.19Å
637	D	97.4	Very high	94.9	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-70.4	-34.5	170.8	-62.8	-36.1	0	0	0	111.2	M566 V575 H576 R577 S633 T634 W639 S640 F641 F729	M566-D637 HydrophobicContact CE-CB 3.89Å; V575-D637 WeakPolarHBondContact CA-OD2 3.2Å; V575-D637 VanDerWaalsContact CG1-OD2 3.31Å; V575-D637 WeakPolarHBondContact CG1-OD2 3.31Å; H576-D637 PolarHBondContact N-OD2 2.97Å; R577-D637 PolarHBondContact N-OD1 2.82Å; S633-D637 PolarHBondContact O-N 2.88Å; S633-D637 VanDerWaalsContact O-N 3.07Å; T634-D637 CarbonylContact O-C 3.54Å; T634-D637 WeakPolarHBondContact O-CA 3.35Å; T634-D637 WeakPolarHBondContact O-CB 3.46Å; T634-D637 PolarHBondContact O-N 3.14Å; T634-D637 VanDerWaalsContact O-N 3.1Å; D637-W639 VanDerWaalsContact C-N 3.33Å; D637-W639 PolarHBondContact O-N 3.37Å; D637-S640 CarbonylContact O-C 3.6Å; D637-S640 WeakPolarHBondContact O-CA 3.46Å; D637-S640 WeakPolarHBondContact O-CB 3.31Å; D637-S640 PolarHBondContact O-N 3.17Å; D637-S640 VanDerWaalsContact O-N 3.11Å; D637-F641 WeakPolarHBondContact O-CB 3.34Å; D637-F641 PolarHBondContact O-N 3.01Å; D637-F729 HydrophobicContact CB-CE2 4.05Å; D637-F729 HydrophobicContact CB-CZ 3.88Å
638	V	98.6	Very high	95.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.3	-39.7	174	167.2	0	0	0	0	111.8	T634 F641 G642 C718 R726 P727 F729 L732	T634-V638 WeakPolarHBondContact O-CG2 3.42Å; T634-V638 PolarHBondContact O-N 2.9Å; V638-F641 PolarHBondContact O-N 3.35Å; V638-G642 PolarHBondContact O-N 3.1Å; V638-C718 HydrophobicContact CG1-CB 4.14Å; V638-R726 HydrophobicContact CG1-CB 3.92Å; V638-P727 HydrophobicContact CG1-CG 4.15Å; V638-F729 HydrophobicContact CB-CZ 4.27Å; V638-F729 HydrophobicContact CG2-CD1 4.22Å; V638-F729 HydrophobicContact CG2-CD2 3.89Å; V638-F729 HydrophobicContact CG2-CE1 3.89Å; V638-F729 HydrophobicContact CG2-CE2 3.55Å; V638-F729 HydrophobicContact CG2-CG 4.24Å; V638-F729 HydrophobicContact CG2-CZ 3.56Å; V638-L732 HydrophobicContact CG1-CD1 4.12Å; V638-L732 HydrophobicContact CG2-CD1 4.48Å
639	W	98.5	Very high	95.4	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-60.3	-47.6	171	172.2	-72.9	0	0	0	111.2	T622 A623 P624 K635 S636 D637 F641 G642 I643 V668 R673 C718 W719	T622-W639 PolarHBondContact O-NE1 2.75Å; A623-W639 HydrophobicContact CB-CB 3.78Å; A623-W639 HydrophobicContact CB-CD2 4.05Å; A623-W639 HydrophobicContact CB-CG 3.66Å; P624-W639 VanDerWaalsContact CD-CZ3 3.46Å; P624-W639 HydrophobicContact CG-CE3 4.28Å; P624-W639 HydrophobicContact CG-CH2 3.69Å; P624-W639 HydrophobicContact CG-CZ2 4.25Å; P624-W639 HydrophobicContact CG-CZ3 3.68Å; K635-W639 PolarHBondContact O-N 3.15Å; S636-W639 PolarHBondContact O-N 3.32Å; D637-W639 VanDerWaalsContact C-N 3.33Å; D637-W639 PolarHBondContact O-N 3.37Å; W639-F641 VanDerWaalsContact C-N 3.32Å; W639-F641 PolarHBondContact O-N 2.81Å; W639-G642 WeakPolarHBondContact O-CA 3.49Å; W639-G642 PolarHBondContact O-N 3.49Å; W639-G642 VanDerWaalsContact O-N 3.07Å; W639-I643 PolarHBondContact O-N 2.92Å; W639-V668 HydrophobicContact CH2-CG1 3.71Å; W639-V668 HydrophobicContact CZ2-CG1 3.48Å; W639-V668 VanDerWaalsContact CZ2-CG1 3.48Å; W639-R673 VanDerWaalsContact CH2-CZ 3.45Å; W639-C718 WeakPolarHBondContact CA-O 3.35Å; W639-W719 HydrophobicContact CD2-CB 4.48Å; W639-W719 AromaticContact CD2-CD1 3.78Å; W639-W719 HydrophobicContact CD2-CG 4.48Å; W639-W719 AromaticContact CE2-CD1 3.98Å; W639-W719 HydrophobicContact CE3-CB 3.96Å; W639-W719 HydrophobicContact CE3-CG 4.43Å; W639-W719 HydrophobicContact CH2-CB 4.14Å; W639-W719 HydrophobicContact CZ3-CB 3.78Å; W639-W719 VanDerWaalsContact CZ3-O 3.31Å; W639-W719 WeakPolarHBondContact CZ3-O 3.47Å; W639-W719 PolarHBondContact O-NE1 3.47Å
640	S	98.2	Very high	95.7	Very high	5 Å²	5	18.1 Å²	18.1	4%	0.035	10%	0.097	C	C	.	.	H	α-helix	trans	-63.2	-39.1	-179	-51.9	0	0	0	0	111.2	W621 S636 D637 G642 I643 L644	W621-S640 PolarHBondContact O-OG 3.49Å; W621-S640 VanDerWaalsContact O-OG 3.1Å; S636-S640 PolarHBondContact O-N 3.05Å; S636-S640 PolarHBondContact O-OG 3.19Å; D637-S640 CarbonylContact O-C 3.6Å; D637-S640 WeakPolarHBondContact O-CA 3.46Å; D637-S640 WeakPolarHBondContact O-CB 3.31Å; D637-S640 PolarHBondContact O-N 3.17Å; D637-S640 VanDerWaalsContact O-N 3.11Å; S640-G642 PolarHBondContact O-N 2.98Å; S640-I643 WeakPolarHBondContact O-CB 3.21Å; S640-I643 PolarHBondContact O-N 2.93Å; S640-I643 VanDerWaalsContact O-N 3.15Å; S640-L644 PolarHBondContact O-N 3.46Å
641	F	98.7	Very high	96	Very high	4 Å²	4	15 Å²	15	2%	0.018	8%	0.082	C	C	.	.	H	α-helix	trans	-60.4	-41.6	171	173.4	-96.1	0	0	0	111.9	I559 V562 V563 L579 D637 V638 W639 I643 L644 V645 F729 L732	I559-F641 HydrophobicContact CG2-CE2 4.39Å; I559-F641 HydrophobicContact CG2-CZ 3.84Å; V562-F641 HydrophobicContact CB-CE2 4.47Å; V562-F641 HydrophobicContact CG1-CD2 3.96Å; V562-F641 HydrophobicContact CG1-CE2 3.91Å; V563-F641 HydrophobicContact CB-CE2 3.69Å; V563-F641 HydrophobicContact CB-CZ 3.7Å; V563-F641 HydrophobicContact CG2-CE1 4.42Å; V563-F641 HydrophobicContact CG2-CE2 4.05Å; V563-F641 HydrophobicContact CG2-CZ 3.81Å; L579-F641 HydrophobicContact CD2-CB 3.79Å; D637-F641 WeakPolarHBondContact O-CB 3.34Å; D637-F641 PolarHBondContact O-N 3.01Å; V638-F641 PolarHBondContact O-N 3.35Å; W639-F641 VanDerWaalsContact C-N 3.32Å; W639-F641 PolarHBondContact O-N 2.81Å; F641-I643 VanDerWaalsContact C-N 3.28Å; F641-I643 PolarHBondContact O-N 3.33Å; F641-L644 PolarHBondContact O-N 3.2Å; F641-V645 HydrophobicContact CD1-CG2 4.13Å; F641-V645 HydrophobicContact CD2-CG2 4.35Å; F641-V645 HydrophobicContact CE1-CG2 3.64Å; F641-V645 HydrophobicContact CE2-CG2 3.89Å; F641-V645 HydrophobicContact CG-CG2 4.46Å; F641-V645 HydrophobicContact CZ-CG2 3.5Å; F641-V645 WeakPolarHBondContact O-CG2 3.47Å; F641-V645 PolarHBondContact O-N 2.87Å; F641-F729 HydrophobicContact CB-CE1 3.73Å; F641-F729 HydrophobicContact CB-CZ 4.28Å; F641-F729 HydrophobicContact CD1-CE1 4.38Å; F641-F729 HydrophobicContact CD2-CE1 4.21Å; F641-F729 AromaticContact CG-CE1 3.86Å; F641-F729 HydrophobicContact CG-CE1 3.86Å; F641-L732 HydrophobicContact CD1-CD1 3.8Å; F641-L732 HydrophobicContact CE1-CB 4.38Å; F641-L732 HydrophobicContact CE1-CD1 3.85Å; F641-L732 HydrophobicContact CE1-CD2 4.24Å; F641-L732 HydrophobicContact CE1-CG 4.4Å
642	G	98.5	Very high	96.2	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-57.4	-41.5	172.8	0	0	0	0	0	112.5	V638 W639 S640 V645 H646 W719	V638-G642 PolarHBondContact O-N 3.1Å; W639-G642 WeakPolarHBondContact O-CA 3.49Å; W639-G642 PolarHBondContact O-N 3.49Å; W639-G642 VanDerWaalsContact O-N 3.07Å; S640-G642 PolarHBondContact O-N 2.98Å; G642-V645 PolarHBondContact O-N 3.35Å; G642-H646 PolarHBondContact O-N 2.77Å; G642-H646 VanDerWaalsContact O-N 3.11Å; G642-W719 VanDerWaalsContact C-CZ2 3.49Å; G642-W719 VanDerWaalsContact O-CZ2 3.29Å; G642-W719 WeakPolarHBondContact O-CZ2 3.44Å
643	I	98.5	Very high	96.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-67.3	-42.1	175.4	-55.6	-67.6	0	0	0	111.1	W621 W639 S640 F641 H646 E647 P655 Y656 L674 W719	W621-I643 HydrophobicContact CG-CB 4.5Å; W621-I643 HydrophobicContact CG-CG2 3.93Å; W639-I643 PolarHBondContact O-N 2.92Å; S640-I643 WeakPolarHBondContact O-CB 3.21Å; S640-I643 PolarHBondContact O-N 2.93Å; S640-I643 VanDerWaalsContact O-N 3.15Å; F641-I643 VanDerWaalsContact C-N 3.28Å; F641-I643 PolarHBondContact O-N 3.33Å; I643-H646 CarbonylContact O-C 3.58Å; I643-H646 WeakPolarHBondContact O-CA 3.38Å; I643-H646 WeakPolarHBondContact O-CB 3.42Å; I643-H646 PolarHBondContact O-N 3.4Å; I643-H646 VanDerWaalsContact O-N 3.14Å; I643-E647 PolarHBondContact O-N 3.48Å; I643-P655 HydrophobicContact CG2-CB 3.71Å; I643-P655 HydrophobicContact CG2-CG 3.46Å; I643-P655 VanDerWaalsContact CG2-CG 3.46Å; I643-Y656 HydrophobicContact CD1-CE2 3.96Å; I643-L674 HydrophobicContact CD1-CD1 3.69Å; I643-W719 HydrophobicContact CD1-CZ2 3.81Å
644	L	98.4	Very high	96.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.7	-39.2	175.2	170.5	54.2	0	0	0	112.7	L538 V562 L579 A581 I584 S640 F641 H646 E647 I648	L538-L644 HydrophobicContact CD2-CD1 4.4Å; V562-L644 HydrophobicContact CG1-CD2 3.65Å; L579-L644 HydrophobicContact CD1-CD2 3.78Å; L579-L644 HydrophobicContact CD2-CD2 4.48Å; L579-L644 HydrophobicContact CG-CD2 3.86Å; A581-L644 HydrophobicContact CB-CD1 3.77Å; I584-L644 HydrophobicContact CD1-CD2 3.95Å; I584-L644 HydrophobicContact CG1-CD1 4.21Å; I584-L644 HydrophobicContact CG1-CD2 3.77Å; S640-L644 PolarHBondContact O-N 3.46Å; F641-L644 PolarHBondContact O-N 3.2Å; L644-H646 VanDerWaalsContact C-N 3.31Å; L644-H646 PolarHBondContact O-N 2.99Å; L644-E647 WeakPolarHBondContact O-CB 3.41Å; L644-E647 PolarHBondContact O-N 3.4Å; L644-E647 VanDerWaalsContact O-N 3.17Å; L644-I648 HydrophobicContact CD1-CD1 4.24Å; L644-I648 HydrophobicContact CD1-CG1 4.34Å; L644-I648 HydrophobicContact CG-CD1 4.4Å; L644-I648 WeakPolarHBondContact O-CG1 3.49Å; L644-I648 PolarHBondContact O-N 3.38Å
645	V	98.2	Very high	96.4	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.018	7%	0.07	C	C	.	.	H	α-helix	trans	-65.4	-36.6	172.9	175.5	0	0	0	0	110.9	I559 F641 G642 I648 L649 L715	I559-V645 HydrophobicContact CD1-CG1 3.74Å; I559-V645 HydrophobicContact CG1-CG1 4.2Å; I559-V645 HydrophobicContact CG1-CG2 4.21Å; I559-V645 HydrophobicContact CG2-CG2 3.79Å; F641-V645 HydrophobicContact CD1-CG2 4.13Å; F641-V645 HydrophobicContact CD2-CG2 4.35Å; F641-V645 HydrophobicContact CE1-CG2 3.64Å; F641-V645 HydrophobicContact CE2-CG2 3.89Å; F641-V645 HydrophobicContact CG-CG2 4.46Å; F641-V645 HydrophobicContact CZ-CG2 3.5Å; F641-V645 WeakPolarHBondContact O-CG2 3.47Å; F641-V645 PolarHBondContact O-N 2.87Å; G642-V645 PolarHBondContact O-N 3.35Å; V645-I648 PolarHBondContact O-N 2.99Å; V645-L649 HydrophobicContact CG1-CD1 3.88Å; V645-L649 HydrophobicContact CG1-CG 4.33Å; V645-L649 WeakPolarHBondContact O-CB 3.38Å; V645-L649 WeakPolarHBondContact O-CD1 3.4Å; V645-L649 WeakPolarHBondContact O-CG 3.43Å; V645-L649 PolarHBondContact O-N 3.41Å; V645-L715 HydrophobicContact CB-CD2 3.76Å; V645-L715 HydrophobicContact CG1-CD2 3.72Å
646	H	97.1	Very high	96.4	Very high	17 Å²	17	12.3 Å²	12.3	8%	0.079	6%	0.063	C	C	.	.	H	α-helix	trans	-61.2	-45.7	169.3	177.2	-72.4	0	0	0	111.5	G642 I643 L644 I648 L649 T650 L674 W719	G642-H646 PolarHBondContact O-N 2.77Å; G642-H646 VanDerWaalsContact O-N 3.11Å; I643-H646 CarbonylContact O-C 3.58Å; I643-H646 WeakPolarHBondContact O-CA 3.38Å; I643-H646 WeakPolarHBondContact O-CB 3.42Å; I643-H646 PolarHBondContact O-N 3.4Å; I643-H646 VanDerWaalsContact O-N 3.14Å; L644-H646 VanDerWaalsContact C-N 3.31Å; L644-H646 PolarHBondContact O-N 2.99Å; H646-I648 VanDerWaalsContact C-N 3.33Å; H646-I648 PolarHBondContact O-N 3.02Å; H646-L649 PolarHBondContact O-N 3.43Å; H646-T650 WeakPolarHBondContact O-CG2 3.26Å; H646-T650 PolarHBondContact O-N 3.1Å; H646-T650 PolarHBondContact O-OG1 3.32Å; H646-L674 HydrophobicContact CB-CD1 4.05Å; H646-W719 HydrophobicContact CB-CH2 4.44Å; H646-W719 HydrophobicContact CB-CZ2 4.4Å
647	E	96.9	Very high	96.3	Very high	6 Å²	6	17.3 Å²	17.3	3%	0.028	8%	0.084	C	C	.	.	H	α-helix	trans	-55.3	-44.7	173.7	-67.3	-175.6	100.8	0	0	112.2	A581 W621 I643 L644 L649 T650 F651 C652 P655	A581-E647 HydrophobicContact CB-CB 4.12Å; A581-E647 HydrophobicContact CB-CG 4.46Å; A581-E647 WeakPolarHBondContact CB-OE1 3.33Å; A581-E647 WeakPolarHBondContact CB-OE2 3.34Å; A581-E647 PolarHBondContact N-OE2 2.81Å; W621-E647 WeakPolarHBondContact CZ2-OE1 3.27Å; W621-E647 VanDerWaalsContact NE1-CD 3.27Å; W621-E647 PolarHBondContact NE1-OE2 2.76Å; I643-E647 PolarHBondContact O-N 3.48Å; L644-E647 WeakPolarHBondContact O-CB 3.41Å; L644-E647 PolarHBondContact O-N 3.4Å; L644-E647 VanDerWaalsContact O-N 3.17Å; E647-L649 PolarHBondContact O-N 2.67Å; E647-T650 PolarHBondContact O-N 2.98Å; E647-F651 PolarHBondContact O-N 3.02Å; E647-F651 VanDerWaalsContact O-N 3.1Å; E647-C652 PolarHBondContact O-N 3.41Å; E647-P655 HydrophobicContact CG-CG 3.92Å
648	I	95.3	Very high	96.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.1	-44.7	177.8	-67.9	166	0	0	0	110.8	L538 M542 L555 M558 I559 L644 V645 H646 T650	L538-I648 HydrophobicContact CD2-CD1 4.11Å; L538-I648 HydrophobicContact CD2-CG1 3.9Å; M542-I648 WeakPolarHBondContact CE-O 3.34Å; L555-I648 HydrophobicContact CB-CG2 4.26Å; L555-I648 HydrophobicContact CD2-CG2 3.95Å; M558-I648 HydrophobicContact CB-CG2 4.38Å; I559-I648 HydrophobicContact CD1-CG2 4.35Å; I559-I648 HydrophobicContact CG1-CB 4.44Å; I559-I648 HydrophobicContact CG1-CD1 3.88Å; I559-I648 HydrophobicContact CG1-CG2 4.04Å; L644-I648 HydrophobicContact CD1-CD1 4.24Å; L644-I648 HydrophobicContact CD1-CG1 4.34Å; L644-I648 HydrophobicContact CG-CD1 4.4Å; L644-I648 WeakPolarHBondContact O-CG1 3.49Å; L644-I648 PolarHBondContact O-N 3.38Å; V645-I648 PolarHBondContact O-N 2.99Å; H646-I648 VanDerWaalsContact C-N 3.33Å; H646-I648 PolarHBondContact O-N 3.02Å; I648-T650 VanDerWaalsContact C-N 3.3Å; I648-T650 PolarHBondContact O-N 3.16Å
649	L	94.2	Very high	96	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-68.1	-25.4	180	-68.6	167.2	0	0	0	113.5	M552 L555 V645 H646 E647 P677 L679 I711 L715	M552-L649 HydrophobicContact CE-CD2 4.39Å; L555-L649 HydrophobicContact CD1-CD2 4.23Å; V645-L649 HydrophobicContact CG1-CD1 3.88Å; V645-L649 HydrophobicContact CG1-CG 4.33Å; V645-L649 WeakPolarHBondContact O-CB 3.38Å; V645-L649 WeakPolarHBondContact O-CD1 3.4Å; V645-L649 WeakPolarHBondContact O-CG 3.43Å; V645-L649 PolarHBondContact O-N 3.41Å; H646-L649 PolarHBondContact O-N 3.43Å; E647-L649 PolarHBondContact O-N 2.67Å; L649-P677 HydrophobicContact CB-CG 4.34Å; L649-P677 HydrophobicContact CD1-CG 4.22Å; L649-L679 HydrophobicContact CB-CD2 3.88Å; L649-L679 HydrophobicContact CD2-CD2 3.91Å; L649-L679 HydrophobicContact CG-CD2 4.45Å; L649-L679 WeakPolarHBondContact O-CD2 3.28Å; L649-I711 HydrophobicContact CD1-CG2 4.09Å; L649-L715 HydrophobicContact CD1-CD1 4.25Å
650	T	92.9	Very high	95.8	Very high	13 Å²	13	29.8 Å²	29.8	8%	0.08	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	11.1	-178.8	64.5	0	0	0	0	114.7	H646 E647 I648 C652 E653 P677	H646-T650 WeakPolarHBondContact O-CG2 3.26Å; H646-T650 PolarHBondContact O-N 3.1Å; H646-T650 PolarHBondContact O-OG1 3.32Å; E647-T650 PolarHBondContact O-N 2.98Å; I648-T650 VanDerWaalsContact C-N 3.3Å; I648-T650 PolarHBondContact O-N 3.16Å; T650-C652 VanDerWaalsContact C-N 3.3Å; T650-C652 PolarHBondContact O-N 2.99Å; T650-E653 PolarHBondContact O-N 3.32Å; T650-P677 HydrophobicContact CG2-CB 3.64Å
651	F	91.6	Very high	95.5	Very high	31 Å²	31	32.5 Å²	32.5	14%	0.136	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	43.3	-175.6	-71.3	-106.5	0	0	0	113	M542 L545 P547 I550 E647 E653 I681	M542-F651 HydrophobicContact CE-CD1 3.77Å; M542-F651 HydrophobicContact CE-CD2 4.37Å; M542-F651 HydrophobicContact CE-CE1 3.97Å; M542-F651 HydrophobicContact CE-CG 3.98Å; M542-F651 HydrophobicContact CE-CZ 4.35Å; L545-F651 HydrophobicContact CB-CE1 4.39Å; P547-F651 HydrophobicContact CB-CD1 4.31Å; P547-F651 HydrophobicContact CB-CD2 4.44Å; P547-F651 HydrophobicContact CB-CE1 3.89Å; P547-F651 HydrophobicContact CB-CE2 4.04Å; P547-F651 HydrophobicContact CB-CZ 3.75Å; P547-F651 HydrophobicContact CG-CD1 3.91Å; P547-F651 HydrophobicContact CG-CE1 3.88Å; P547-F651 HydrophobicContact CG-CG 4.28Å; P547-F651 HydrophobicContact CG-CZ 4.24Å; I550-F651 HydrophobicContact CB-CZ 3.93Å; I550-F651 HydrophobicContact CG1-CE1 4.01Å; I550-F651 HydrophobicContact CG1-CZ 3.88Å; I550-F651 HydrophobicContact CG2-CZ 4.04Å; E647-F651 PolarHBondContact O-N 3.02Å; E647-F651 VanDerWaalsContact O-N 3.1Å; F651-E653 VanDerWaalsContact C-N 3.34Å; F651-E653 PolarHBondContact O-N 2.6Å; F651-I681 HydrophobicContact CE2-CG2 3.66Å; F651-I681 HydrophobicContact CZ-CG2 4.03Å
652	C	93.8	Very high	95.2	Very high	22 Å²	22	37.8 Å²	37.8	15%	0.149	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	32.2	178.6	-57.4	0	0	0	0	114.4	K539 E647 T650 L654	K539-C652 HydrophobicContact CG-CB 4.44Å; E647-C652 PolarHBondContact O-N 3.41Å; T650-C652 VanDerWaalsContact C-N 3.3Å; T650-C652 PolarHBondContact O-N 2.99Å; C652-L654 PolarHBondContact O-N 3.2Å
653	E	93.3	Very high	95.1	Very high	57 Å²	57	40.7 Å²	40.7	27%	0.266	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-60.2	131.3	160.5	-76.7	-172.3	-145.6	0	0	110.4	T650 F651 P655 K657 K680	T650-E653 PolarHBondContact O-N 3.32Å; F651-E653 VanDerWaalsContact C-N 3.34Å; F651-E653 PolarHBondContact O-N 2.6Å; E653-P655 WeakPolarHBondContact O-CD 3.16Å; E653-K657 IonicContact OE2-NZ 2.69Å; E653-K657 PolarHBondContact OE2-NZ 2.69Å; E653-K680 IonicContact OE1-NZ 2.76Å; E653-K680 PolarHBondContact OE1-NZ 3.07Å
654	L	94.6	Very high	94.9	Very high	83 Å²	83	40.8 Å²	40.8	44%	0.435	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-52.8	122.2	-175.6	-177.4	68.9	0	0	0	111.9	W621 C652 Y656 K657	W621-L654 HydrophobicContact CH2-CD1 4.06Å; C652-L654 PolarHBondContact O-N 3.2Å; L654-Y656 PolarHBondContact O-N 3.49Å; L654-K657 HydrophobicContact CB-CB 4.16Å; L654-K657 WeakPolarHBondContact O-CB 3.48Å; L654-K657 PolarHBondContact O-N 3.47Å; L654-K657 VanDerWaalsContact O-N 3.16Å
655	P	96.4	Very high	94.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	131.4	176.2	-26.9	35.5	0	0	0	111.6	R620 W621 I643 E647 E653 K657 L674	R620-P655 HydrophobicContact CB-CB 4.41Å; R620-P655 WeakPolarHBondContact CD-O 3.35Å; R620-P655 PolarHBondContact NH1-O 3.18Å; W621-P655 HydrophobicContact CZ2-CG 4.04Å; I643-P655 HydrophobicContact CG2-CB 3.71Å; I643-P655 HydrophobicContact CG2-CG 3.46Å; I643-P655 VanDerWaalsContact CG2-CG 3.46Å; E647-P655 HydrophobicContact CG-CG 3.92Å; E653-P655 WeakPolarHBondContact O-CD 3.16Å; P655-K657 VanDerWaalsContact C-N 3.32Å; P655-K657 PolarHBondContact O-N 2.75Å; P655-L674 HydrophobicContact CB-CD1 4.29Å
656	Y	96.5	Very high	94.5	Very high	12 Å²	12	48.7 Å²	48.7	5%	0.047	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	34.3	-177.1	-49.6	-86.7	0	0	0	114.4	R620 I643 L654 E658 F659 V664 V668 Y672 L674	R620-Y656 PolarHBondContact NH1-O 3.07Å; I643-Y656 HydrophobicContact CD1-CE2 3.96Å; L654-Y656 PolarHBondContact O-N 3.49Å; Y656-E658 PolarHBondContact O-N 3.4Å; Y656-F659 PolarHBondContact O-N 3.27Å; Y656-V664 HydrophobicContact CD2-CG1 3.9Å; Y656-V664 HydrophobicContact CD2-CG2 4.42Å; Y656-V664 HydrophobicContact CE2-CG1 4.29Å; Y656-V664 HydrophobicContact CG-CG1 4.17Å; Y656-V664 HydrophobicContact CG-CG2 4.03Å; Y656-V668 HydrophobicContact CE1-CG2 4.05Å; Y656-V668 HydrophobicContact CE2-CG2 4.19Å; Y656-Y672 HydrophobicContact CD1-CD1 4.16Å; Y656-Y672 AromaticContact CD1-CE1 3.88Å; Y656-Y672 HydrophobicContact CD1-CE1 3.88Å; Y656-Y672 AromaticContact CE1-CD1 3.86Å; Y656-Y672 HydrophobicContact CE1-CD1 3.86Å; Y656-Y672 AromaticContact CE1-CE1 3.89Å; Y656-Y672 HydrophobicContact CE1-CE1 3.89Å; Y656-L674 HydrophobicContact CD1-CD2 3.47Å; Y656-L674 VanDerWaalsContact CD1-CD2 3.47Å; Y656-L674 HydrophobicContact CD1-CG 4.16Å; Y656-L674 HydrophobicContact CD2-CD2 3.84Å; Y656-L674 HydrophobicContact CD2-CG 4.37Å; Y656-L674 HydrophobicContact CE1-CD2 3.57Å; Y656-L674 HydrophobicContact CE1-CG 3.72Å; Y656-L674 HydrophobicContact CE2-CD1 4.28Å; Y656-L674 HydrophobicContact CE2-CD2 3.94Å; Y656-L674 HydrophobicContact CE2-CG 3.96Å; Y656-L674 HydrophobicContact CG-CD2 3.59Å; Y656-L674 HydrophobicContact CG-CG 4.46Å
657	K	93.9	Very high	94.5	Very high	109 Å²	109	51.7 Å²	51.7	47%	0.474	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-31.7	-175.1	67.6	-170.1	-174.1	-176.5	0	116	E653 L654 P655 F659	E653-K657 IonicContact OE2-NZ 2.69Å; E653-K657 PolarHBondContact OE2-NZ 2.69Å; L654-K657 HydrophobicContact CB-CB 4.16Å; L654-K657 WeakPolarHBondContact O-CB 3.48Å; L654-K657 PolarHBondContact O-N 3.47Å; L654-K657 VanDerWaalsContact O-N 3.16Å; P655-K657 VanDerWaalsContact C-N 3.32Å; P655-K657 PolarHBondContact O-N 2.75Å; K657-F659 PolarHBondContact O-N 3.23Å
658	E	94.2	Very high	94.5	Very high	145 Å²	145	51.5 Å²	51.5	68%	0.678	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-5.3	-179.6	-44.5	-56.5	157.1	0	0	114.3	Y656	Y656-E658 PolarHBondContact O-N 3.4Å
659	F	95.4	Very high	94.4	Very high	38 Å²	38	53.3 Å²	53.3	17%	0.167	27%	0.27	C	S	.	.	S	Bend	trans	-125.7	144.8	-175.2	-57	-46.9	0	0	0	112	R620 Y656 K657 E663 V664 Y672	R620-F659 PolarHBondContact NH1-O 3.45Å; R620-F659 PolarHBondContact NH2-O 3.49Å; Y656-F659 PolarHBondContact O-N 3.27Å; K657-F659 PolarHBondContact O-N 3.23Å; F659-E663 HydrophobicContact CB-CB 3.96Å; F659-V664 HydrophobicContact CB-CG2 3.86Å; F659-Y672 HydrophobicContact CE2-CD1 4.4Å; F659-Y672 AromaticContact CE2-CE1 3.72Å; F659-Y672 HydrophobicContact CE2-CE1 3.72Å; F659-Y672 AromaticContact CE2-CZ 3.86Å
660	T	95.2	Very high	94.4	Very high	80 Å²	80	58.1 Å²	58.1	49%	0.491	30%	0.304	S	S	.	.			trans	-67.8	165.5	170.2	61.5	0	0	0	0	112.1	N662 E663 V664	T660-N662 PolarHBondContact O-N 3.21Å; T660-E663 WeakPolarHBondContact CB-OE2 3.45Å; T660-E663 WeakPolarHBondContact CG2-OE2 3.25Å; T660-E663 PolarHBondContact N-OE2 3.22Å; T660-E663 WeakPolarHBondContact O-CB 3.49Å; T660-E663 PolarHBondContact O-N 3.39Å; T660-E663 WeakPolarHBondContact OG1-CB 3.47Å; T660-E663 WeakPolarHBondContact OG1-CG 3.37Å; T660-E663 PolarHBondContact OG1-N 3.48Å; T660-E663 PolarHBondContact OG1-OE2 3.27Å; T660-V664 WeakPolarHBondContact O-CG2 3Å; T660-V664 PolarHBondContact O-N 3.4Å
661	V	91.6	Very high	94.5	Very high	63 Å²	63	59.6 Å²	59.6	38%	0.382	32%	0.322	S	S	.	.	H	α-helix	trans	-59.7	-43.7	-177.4	174.7	0	0	0	0	112.3	V619 V664 K665	V619-V661 HydrophobicContact CB-CG1 3.8Å; V619-V661 HydrophobicContact CG1-CG1 4.02Å; V619-V661 HydrophobicContact CG2-CG1 3.65Å; V661-V664 PolarHBondContact O-N 3.04Å; V661-K665 PolarHBondContact O-N 3.07Å
662	N	92.1	Very high	94.8	Very high	114 Å²	114	62.4 Å²	62.4	61%	0.61	33%	0.332	S	S	*	.	H	α-helix	trans	-67	-38	177.3	-71.1	-13.5	0	0	0	111.9	T660 K665 V666	T660-N662 PolarHBondContact O-N 3.21Å; N662-K665 WeakPolarHBondContact O-CB 2.97Å; N662-K665 PolarHBondContact O-N 3.13Å; N662-V666 WeakPolarHBondContact O-CG2 3.38Å; N662-V666 PolarHBondContact O-N 3.13Å
663	E	96.1	Very high	94.9	Very high	62 Å²	62	63.2 Å²	63.2	29%	0.29	33%	0.332	S	S	.	.	H	α-helix	trans	-65	-36.6	173.8	-81.6	-175.6	101	0	0	113.8	F659 T660 R667	F659-E663 HydrophobicContact CB-CB 3.96Å; T660-E663 WeakPolarHBondContact CB-OE2 3.45Å; T660-E663 WeakPolarHBondContact CG2-OE2 3.25Å; T660-E663 PolarHBondContact N-OE2 3.22Å; T660-E663 WeakPolarHBondContact O-CB 3.49Å; T660-E663 PolarHBondContact O-N 3.39Å; T660-E663 WeakPolarHBondContact OG1-CB 3.47Å; T660-E663 WeakPolarHBondContact OG1-CG 3.37Å; T660-E663 PolarHBondContact OG1-N 3.48Å; T660-E663 PolarHBondContact OG1-OE2 3.27Å; E663-R667 VanDerWaalsContact O-CB 3.27Å; E663-R667 WeakPolarHBondContact O-CB 3.3Å; E663-R667 WeakPolarHBondContact O-CG 3.49Å; E663-R667 PolarHBondContact O-N 2.84Å; E663-R667 IonicContact OE1-CZ 2.7Å; E663-R667 IonicContact OE1-NH1 2.64Å; E663-R667 PolarHBondContact OE1-NH1 3.2Å; E663-R667 IonicContact OE1-NH2 3.96Å; E663-R667 PolarHBondContact OE1-NH2 2.9Å
664	V	95	Very high	95.1	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.006	32%	0.32	C	S	.	.	H	α-helix	trans	-63.4	-48.7	172.4	173.3	0	0	0	0	109.6	R620 Y656 F659 T660 V661 V666 R667 V668	R620-V664 HydrophobicContact CG-CG1 4.44Å; Y656-V664 HydrophobicContact CD2-CG1 3.9Å; Y656-V664 HydrophobicContact CD2-CG2 4.42Å; Y656-V664 HydrophobicContact CE2-CG1 4.29Å; Y656-V664 HydrophobicContact CG-CG1 4.17Å; Y656-V664 HydrophobicContact CG-CG2 4.03Å; F659-V664 HydrophobicContact CB-CG2 3.86Å; T660-V664 WeakPolarHBondContact O-CG2 3Å; T660-V664 PolarHBondContact O-N 3.4Å; V661-V664 PolarHBondContact O-N 3.04Å; V664-V666 VanDerWaalsContact C-N 3.34Å; V664-V666 PolarHBondContact O-N 2.86Å; V664-R667 PolarHBondContact O-N 3.3Å; V664-V668 HydrophobicContact CG1-CG2 3.86Å; V664-V668 WeakPolarHBondContact O-CB 3.39Å; V664-V668 VanDerWaalsContact O-CG2 3.31Å; V664-V668 WeakPolarHBondContact O-CG2 3.32Å; V664-V668 PolarHBondContact O-N 3.35Å
665	K	93.6	Very high	95.1	Very high	77 Å²	77	60.4 Å²	60.4	34%	0.335	32%	0.324	S	S	.	.	H	α-helix	trans	-51.9	-49.8	175.8	169.1	160.5	-173	173.1	0	111.8	V619 I627 V661 N662 C669	V619-K665 HydrophobicContact CG1-CB 4.19Å; I627-K665 HydrophobicContact CG2-CB 4.23Å; I627-K665 HydrophobicContact CG2-CD 3.73Å; I627-K665 HydrophobicContact CG2-CG 3.57Å; V661-K665 PolarHBondContact O-N 3.07Å; N662-K665 WeakPolarHBondContact O-CB 2.97Å; N662-K665 PolarHBondContact O-N 3.13Å; K665-C669 WeakPolarHBondContact O-CB 3.31Å; K665-C669 PolarHBondContact O-N 2.58Å; K665-C669 PolarHBondContact O-SG 2.81Å
666	V	95.3	Very high	95.1	Very high	93 Å²	93	64 Å²	64	56%	0.564	34%	0.337	S	S	*	.	H	α-helix	trans	-63.9	-56.8	176.9	174.5	0	0	0	0	111.5	N662 V664 V668 C669 S670	N662-V666 WeakPolarHBondContact O-CG2 3.38Å; N662-V666 PolarHBondContact O-N 3.13Å; V664-V666 VanDerWaalsContact C-N 3.34Å; V664-V666 PolarHBondContact O-N 2.86Å; V666-V668 PolarHBondContact O-N 2.98Å; V666-C669 PolarHBondContact O-N 3.23Å; V666-S670 PolarHBondContact O-N 3.24Å; V666-S670 PolarHBondContact O-OG 3.1Å
667	R	96.9	Very high	95	Very high	79 Å²	79	63.8 Å²	63.8	30%	0.298	34%	0.337	S	S	.	.	H	α-helix	trans	-61.2	-43.5	-173.5	-75.4	177.8	175.1	81.6	-22.5	112.6	E663 V664 S670 G671 Y672	E663-R667 VanDerWaalsContact O-CB 3.27Å; E663-R667 WeakPolarHBondContact O-CB 3.3Å; E663-R667 WeakPolarHBondContact O-CG 3.49Å; E663-R667 PolarHBondContact O-N 2.84Å; E663-R667 IonicContact OE1-CZ 2.7Å; E663-R667 IonicContact OE1-NH1 2.64Å; E663-R667 PolarHBondContact OE1-NH1 3.2Å; E663-R667 IonicContact OE1-NH2 3.96Å; E663-R667 PolarHBondContact OE1-NH2 2.9Å; V664-R667 PolarHBondContact O-N 3.3Å; R667-S670 CarbonylContact O-C 3.44Å; R667-S670 PolarHBondContact O-N 3.25Å; R667-G671 PolarHBondContact O-N 3.28Å; R667-Y672 HydrophobicContact CB-CD1 4.34Å; R667-Y672 HydrophobicContact CB-CG 4.23Å; R667-Y672 WeakPolarHBondContact O-CB 3.41Å; R667-Y672 PolarHBondContact O-N 3.26Å
668	V	95.9	Very high	94.7	Very high	3 Å²	3	63.4 Å²	63.4	2%	0.018	34%	0.339	C	S	.	.	H	α-helix	trans	-61.4	-43.9	179	163.1	0	0	0	0	111.8	P624 I627 W639 Y656 V664 V666 S670 G671 R673	P624-V668 HydrophobicContact CG-CG1 3.95Å; I627-V668 HydrophobicContact CD1-CG1 4.39Å; W639-V668 HydrophobicContact CH2-CG1 3.71Å; W639-V668 HydrophobicContact CZ2-CG1 3.48Å; W639-V668 VanDerWaalsContact CZ2-CG1 3.48Å; Y656-V668 HydrophobicContact CE1-CG2 4.05Å; Y656-V668 HydrophobicContact CE2-CG2 4.19Å; V664-V668 HydrophobicContact CG1-CG2 3.86Å; V664-V668 WeakPolarHBondContact O-CB 3.39Å; V664-V668 VanDerWaalsContact O-CG2 3.31Å; V664-V668 WeakPolarHBondContact O-CG2 3.32Å; V664-V668 PolarHBondContact O-N 3.35Å; V666-V668 PolarHBondContact O-N 2.98Å; V668-S670 VanDerWaalsContact C-N 3.35Å; V668-G671 PolarHBondContact O-N 2.95Å; V668-R673 PolarHBondContact O-NH1 3.26Å
669	C	93.9	Very high	94.4	Very high	38 Å²	38	56.7 Å²	56.7	26%	0.257	31%	0.308	S	S	.	.	H	α-helix	trans	-68.8	-34.3	176.9	-62.7	0	0	0	0	111.8	L628 K665 V666 G671	L628-C669 HydrophobicContact CD1-CB 4.31Å; K665-C669 WeakPolarHBondContact O-CB 3.31Å; K665-C669 PolarHBondContact O-N 2.58Å; K665-C669 PolarHBondContact O-SG 2.81Å; V666-C669 PolarHBondContact O-N 3.23Å; C669-G671 PolarHBondContact O-N 2.96Å
670	S	94.6	Very high	93.8	Very high	100 Å²	100	59.1 Å²	59.1	70%	0.699	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	11.7	171.7	-57.6	0	0	0	0	114.7	V666 R667 V668	V666-S670 PolarHBondContact O-N 3.24Å; V666-S670 PolarHBondContact O-OG 3.1Å; R667-S670 CarbonylContact O-C 3.44Å; R667-S670 PolarHBondContact O-N 3.25Å; V668-S670 VanDerWaalsContact C-N 3.35Å
671	G	95.3	Very high	93	Very high	44 Å²	44	55.9 Å²	55.9	45%	0.454	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.2	-1.1	172.9	0	0	0	0	0	116.3	R667 V668 C669 R673	R667-G671 PolarHBondContact O-N 3.28Å; V668-G671 PolarHBondContact O-N 2.95Å; C669-G671 PolarHBondContact O-N 2.96Å; G671-R673 VanDerWaalsContact C-NH1 3.31Å; G671-R673 PolarHBondContact O-NH1 3.48Å
672	Y	96.9	Very high	91.9	Very high	91 Å²	91	54.5 Å²	54.5	36%	0.357	29%	0.291	S	S	.	.			trans	-65.1	146	174.4	-175.6	-93.6	0	0	0	111.5	Y656 F659 R667	Y656-Y672 HydrophobicContact CD1-CD1 4.16Å; Y656-Y672 AromaticContact CD1-CE1 3.88Å; Y656-Y672 HydrophobicContact CD1-CE1 3.88Å; Y656-Y672 AromaticContact CE1-CD1 3.86Å; Y656-Y672 HydrophobicContact CE1-CD1 3.86Å; Y656-Y672 AromaticContact CE1-CE1 3.89Å; Y656-Y672 HydrophobicContact CE1-CE1 3.89Å; F659-Y672 HydrophobicContact CE2-CD1 4.4Å; F659-Y672 AromaticContact CE2-CE1 3.72Å; F659-Y672 HydrophobicContact CE2-CE1 3.72Å; F659-Y672 AromaticContact CE2-CZ 3.86Å; R667-Y672 HydrophobicContact CB-CD1 4.34Å; R667-Y672 HydrophobicContact CB-CG 4.23Å; R667-Y672 WeakPolarHBondContact O-CB 3.41Å; R667-Y672 PolarHBondContact O-N 3.26Å
673	R	97.3	Very high	90.4	Very high	38 Å²	38	51.2 Å²	51.2	14%	0.143	28%	0.277	C	S	.	.			trans	-135.9	158.5	-179.7	-60.1	-60.9	179.7	-101.3	5.7	110.5	W639 V668 G671 L716 W719	W639-R673 VanDerWaalsContact CH2-CZ 3.45Å; V668-R673 PolarHBondContact O-NH1 3.26Å; G671-R673 VanDerWaalsContact C-NH1 3.31Å; G671-R673 PolarHBondContact O-NH1 3.48Å; R673-L716 HydrophobicContact CB-CD2 4.27Å; R673-L716 HydrophobicContact CG-CD2 4.44Å; R673-W719 HydrophobicContact CB-CE3 4.27Å; R673-W719 VanDerWaalsContact CZ-O 3.31Å; R673-W719 PolarHBondContact NE-O 3.13Å; R673-W719 PolarHBondContact NH2-O 3.36Å
674	L	96.8	Very high	88.3	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.021	28%	0.282	C	S	.	.			trans	-59.4	138.2	174.7	-68.1	170.1	0	0	0	110.4	I643 H646 P655 Y656 Y712 W719	I643-L674 HydrophobicContact CD1-CD1 3.69Å; H646-L674 HydrophobicContact CB-CD1 4.05Å; P655-L674 HydrophobicContact CB-CD1 4.29Å; Y656-L674 HydrophobicContact CD1-CD2 3.47Å; Y656-L674 VanDerWaalsContact CD1-CD2 3.47Å; Y656-L674 HydrophobicContact CD1-CG 4.16Å; Y656-L674 HydrophobicContact CD2-CD2 3.84Å; Y656-L674 HydrophobicContact CD2-CG 4.37Å; Y656-L674 HydrophobicContact CE1-CD2 3.57Å; Y656-L674 HydrophobicContact CE1-CG 3.72Å; Y656-L674 HydrophobicContact CE2-CD1 4.28Å; Y656-L674 HydrophobicContact CE2-CD2 3.94Å; Y656-L674 HydrophobicContact CE2-CG 3.96Å; Y656-L674 HydrophobicContact CG-CD2 3.59Å; Y656-L674 HydrophobicContact CG-CG 4.46Å; L674-Y712 PolarHBondContact O-OH 3.23Å; L674-W719 HydrophobicContact CB-CH2 3.78Å; L674-W719 HydrophobicContact CB-CZ3 3.99Å; L674-W719 HydrophobicContact CD1-CH2 3.9Å; L674-W719 HydrophobicContact CD1-CZ2 3.91Å; L674-W719 HydrophobicContact CG-CH2 4.3Å
675	P	95.4	Very high	86.1	Confident	78 Å²	78	56.6 Å²	56.6	51%	0.506	31%	0.307	S	S	.	.			trans	-67.8	161.6	175.4	30.4	-35.8	0	0	0	111.3	P677	P675-P677 VanDerWaalsContact O-CD 3.31Å; P675-P677 WeakPolarHBondContact O-CD 3.44Å; P675-P677 VanDerWaalsContact O-N 3.15Å
676	R	95.5	Very high	83.3	Confident	74 Å²	74	58.2 Å²	58.2	28%	0.279	32%	0.323	S	S	.	.			trans	-58.8	113.8	176.5	-177.4	172.3	171.7	-148.1	-8.3	110.5	M706 C707 Y712	R676-M706 HydrophobicContact CB-CE 4.05Å; R676-M706 HydrophobicContact CG-CE 4.04Å; R676-C707 HydrophobicContact CG-CB 4.48Å; R676-C707 PolarHBondContact NE-O 2.92Å; R676-C707 PolarHBondContact NH2-O 3.29Å; R676-Y712 HydrophobicContact CB-CD1 3.9Å; R676-Y712 HydrophobicContact CB-CD2 3.82Å; R676-Y712 HydrophobicContact CB-CE1 3.91Å; R676-Y712 HydrophobicContact CB-CE2 3.84Å; R676-Y712 HydrophobicContact CB-CG 3.83Å; R676-Y712 HydrophobicContact CG-CD1 4.04Å; R676-Y712 HydrophobicContact CG-CD2 4.09Å; R676-Y712 HydrophobicContact CG-CG 3.76Å; R676-Y712 VanDerWaalsContact N-CE2 3.33Å
677	P	93.4	Very high	80.4	Confident	8 Å²	8	62.3 Å²	62.3	5%	0.052	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-70	149.3	-167.3	22.4	-29.6	0	0	0	112.8	L649 T650 P675 C707	L649-P677 HydrophobicContact CB-CG 4.34Å; L649-P677 HydrophobicContact CD1-CG 4.22Å; T650-P677 HydrophobicContact CG2-CB 3.64Å; P675-P677 VanDerWaalsContact O-CD 3.31Å; P675-P677 WeakPolarHBondContact O-CD 3.44Å; P675-P677 VanDerWaalsContact O-N 3.15Å; P677-C707 HydrophobicContact CG-CB 3.81Å; P677-C707 VanDerWaalsContact O-CB 3.31Å; P677-C707 WeakPolarHBondContact O-CB 3.2Å; P677-C707 PolarHBondContact O-N 3.2Å
678	I	89.3	Confident	77.3	Confident	101 Å²	101	64.9 Å²	64.9	52%	0.518	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	117.8	174.3	-57.3	175.4	0	0	0	108.2	T704	I678-T704 HydrophobicContact CG2-CG2 4.07Å
679	L	87.2	Confident	74.3	Confident	5 Å²	5	69.7 Å²	69.7	3%	0.026	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	140.1	-179.8	-50.3	-178.2	0	0	0	110.8	M552 L649 I681 T704 F705 C707	M552-L679 HydrophobicContact CE-CD1 3.31Å; L649-L679 HydrophobicContact CB-CD2 3.88Å; L649-L679 HydrophobicContact CD2-CD2 3.91Å; L649-L679 HydrophobicContact CG-CD2 4.45Å; L649-L679 WeakPolarHBondContact O-CD2 3.28Å; L679-I681 HydrophobicContact CB-CD1 4.35Å; L679-I681 HydrophobicContact CB-CG1 4.06Å; L679-I681 HydrophobicContact CD1-CD1 3.99Å; L679-T704 WeakPolarHBondContact O-CA 3.37Å; L679-F705 PolarHBondContact N-O 3.2Å; L679-F705 PolarHBondContact O-N 3.38Å; L679-C707 HydrophobicContact CD1-CB 4.43Å; L679-C707 HydrophobicContact CD2-CB 4.09Å; L679-C707 HydrophobicContact CG-CB 4.22Å
680	K	82.8	Confident	71.7	Confident	89 Å²	89	74.1 Å²	74.1	39%	0.387	42%	0.417	S	S	.	.			trans	-113.3	38.1	-179.5	-61.4	170.4	178.5	171.3	0	111.5	P547 E653 V702 T704	P547-K680 WeakPolarHBondContact CB-O 3.23Å; E653-K680 IonicContact OE1-NZ 2.76Å; E653-K680 PolarHBondContact OE1-NZ 3.07Å; K680-V702 HydrophobicContact CB-CG1 4.36Å; K680-T704 HydrophobicContact CG-CG2 4.4Å
681	I	78.3	Confident	68.9	Low	12 Å²	12	75.9 Å²	75.9	6%	0.062	42%	0.418	C	S	.	.	S	Bend	trans	-107.6	166.4	-172.1	62.4	177.6	0	0	0	112.6	P547 I550 M552 L555 F651 L679	P547-I681 WeakPolarHBondContact O-CA 3.18Å; I550-I681 HydrophobicContact CB-CG2 4.45Å; I550-I681 HydrophobicContact CG2-CG2 4.36Å; M552-I681 HydrophobicContact CB-CD1 4.18Å; M552-I681 HydrophobicContact CE-CD1 4.08Å; L555-I681 HydrophobicContact CD1-CD1 4.31Å; L555-I681 HydrophobicContact CD1-CG2 4.07Å; F651-I681 HydrophobicContact CE2-CG2 3.66Å; F651-I681 HydrophobicContact CZ-CG2 4.03Å; L679-I681 HydrophobicContact CB-CD1 4.35Å; L679-I681 HydrophobicContact CB-CG1 4.06Å; L679-I681 HydrophobicContact CD1-CD1 3.99Å
682	S	68.4	Low	65.9	Low	34 Å²	34	80.8 Å²	80.8	24%	0.238	43%	0.434	C	S	.	.			trans	-66.9	134.7	171.3	63.3	0	0	0	0	112.6	V548 I550	V548-S682 WeakPolarHBondContact O-CB 3.29Å; I550-S682 PolarHBondContact O-N 3.1Å; I550-S682 VanDerWaalsContact O-N 3.09Å; I550-S682 PolarHBondContact O-OG 3.1Å
683	S	60.7	Low	63.1	Low	45 Å²	45	85.5 Å²	85.5	32%	0.315	46%	0.459	S	S	.	.			trans	-82.7	133.8	168.8	48	0	0	0	0	111.8	E685 F705	S683-E685 PolarHBondContact O-N 3.27Å; S683-F705 VanDerWaalsContact CB-CZ 3.45Å
684	T	51.3	Low	60.3	Low	62 Å²	62	95.3 Å²	95.3	38%	0.38	50%	0.498	S	S	.	.			trans	-74.2	72.1	160.3	23.8	0	0	0	0	110.3	M750	T684-M750 HydrophobicContact CG2-CE 3.9Å
685	E	50	Low	57.3	Low	113 Å²	113	102.2 Å²	102.2	53%	0.528	53%	0.53	S	S	.	.			trans	-132.2	111.2	172.5	-94.4	178.6	177.4	0	0	110.3	S683 K703	S683-E685 PolarHBondContact O-N 3.27Å; E685-K703 IonicContact OE2-NZ 2.6Å; E685-K703 PolarHBondContact OE2-NZ 3.24Å
686	T	33.7	Very low	54.5	Low	111 Å²	111	104.2 Å²	104.2	68%	0.681	54%	0.541	S	S	*	.			trans	51.5	86.3	151.8	-40	0	0	0	0	117.8	L688	T686-L688 HydrophobicContact CG2-CB 4.48Å; T686-L688 HydrophobicContact CG2-CD1 4.07Å; T686-L688 HydrophobicContact CG2-CG 3.87Å
687	L	34.9	Very low	51.7	Low	180 Å²	180	106.6 Å²	106.6	94%	0.942	57%	0.566	S	S	*	*			trans	-102.8	88.4	140.7	-75.8	178.6	0	0	0	107.9
688	L	32.4	Very low	49.1	Very low	133 Å²	133	113.2 Å²	113.2	70%	0.696	59%	0.594	S	S	*	*			trans	-70	150	156.1	-73.1	168.4	0	0	0	107.9	T686 V690	T686-L688 HydrophobicContact CG2-CB 4.48Å; T686-L688 HydrophobicContact CG2-CD1 4.07Å; T686-L688 HydrophobicContact CG2-CG 3.87Å; L688-V690 PolarHBondContact O-N 2.93Å
689	P	33.2	Very low	46.9	Very low	103 Å²	103	117.3 Å²	117.3	67%	0.669	61%	0.611	S	S	*	*			trans	-60.9	123.3	162.1	-8.4	23.8	0	0	0	107.6
690	V	39.1	Very low	45	Very low	132 Å²	132	125.8 Å²	125.8	80%	0.8	65%	0.648	S	S	*	*			trans	-90.9	112.6	152.7	179.3	0	0	0	0	103.8	L688	L688-V690 PolarHBondContact O-N 2.93Å
691	D	34.2	Very low	43.2	Very low	136 Å²	136	126.3 Å²	126.3	73%	0.727	66%	0.662	S	S	*	*			trans	-72.4	138.5	173.3	-63.6	-52.4	0	0	0	109.1
692	D	33.3	Very low	42	Very low	148 Å²	148	129.2 Å²	129.2	79%	0.791	68%	0.681	S	S	*	*	S	Bend	trans	65.9	159.5	176.7	-66.1	-42.7	0	0	0	119.9
693	E	38.7	Very low	41.3	Very low	189 Å²	189	132.4 Å²	132.4	88%	0.883	69%	0.69	S	S	*	*			trans	72.3	149.7	175	-53.3	-155.6	142.8	0	0	120.1
694	Y	36.8	Very low	41.4	Very low	244 Å²	244	134.5 Å²	134.5	96%	0.957	70%	0.701	S	S	*	*			trans	-79.2	115.5	-176.1	-96.9	-119.6	0	0	0	111
695	E	35.3	Very low	42.7	Very low	149 Å²	149	135 Å²	135	70%	0.696	70%	0.698	S	S	*	*			trans	-124.8	146.2	165.2	-87.3	-156.2	120.1	0	0	114.6	K698	E695-K698 VanDerWaalsContact OE1-CE 3.27Å; E695-K698 WeakPolarHBondContact OE1-CE 3.33Å; E695-K698 IonicContact OE1-NZ 3.36Å; E695-K698 PolarHBondContact OE1-NZ 3.11Å; E695-K698 WeakPolarHBondContact OE2-CE 3.17Å; E695-K698 IonicContact OE2-NZ 2.71Å; E695-K698 PolarHBondContact OE2-NZ 2.93Å
696	V	35.1	Very low	44.4	Very low	121 Å²	121	134.6 Å²	134.6	73%	0.733	70%	0.698	S	S	*	*			trans	-64.5	149.1	-178.3	-179.7	0	0	0	0	111	K698	V696-K698 PolarHBondContact O-N 3.41Å
697	P	37.1	Very low	47.1	Very low	123 Å²	123	129.3 Å²	129.3	80%	0.799	67%	0.665	S	S	*	*			trans	-59.4	89.6	176.4	-25.5	36	0	0	0	113.6	Q699	P697-Q699 PolarHBondContact O-N 3.32Å; P697-Q699 VanDerWaalsContact O-N 3.14Å
698	K	39.4	Very low	49.8	Very low	147 Å²	147	122.8 Å²	122.8	64%	0.639	63%	0.634	S	S	*	*			trans	-57.9	117.5	174	-73.3	170.8	178.6	169.8	0	108.7	E695 V696 K700	E695-K698 VanDerWaalsContact OE1-CE 3.27Å; E695-K698 WeakPolarHBondContact OE1-CE 3.33Å; E695-K698 IonicContact OE1-NZ 3.36Å; E695-K698 PolarHBondContact OE1-NZ 3.11Å; E695-K698 WeakPolarHBondContact OE2-CE 3.17Å; E695-K698 IonicContact OE2-NZ 2.71Å; E695-K698 PolarHBondContact OE2-NZ 2.93Å; V696-K698 PolarHBondContact O-N 3.41Å; K698-K700 PolarHBondContact O-N 3.29Å
699	Q	43.5	Very low	52.7	Low	188 Å²	188	120.5 Å²	120.5	88%	0.879	62%	0.621	S	S	*	*			trans	-53.4	127.3	179.5	-75.9	176.2	-54.1	0	0	109.6	P697 S701	P697-Q699 PolarHBondContact O-N 3.32Å; P697-Q699 VanDerWaalsContact O-N 3.14Å; Q699-S701 VanDerWaalsContact C-N 3.28Å; Q699-S701 PolarHBondContact O-N 2.71Å
700	K	46.6	Very low	55.6	Low	183 Å²	183	118.8 Å²	118.8	80%	0.796	61%	0.606	S	S	*	*			trans	-66.8	89.7	172.6	-74.2	-178.3	178	178.4	0	109	V548 K698 V702	V548-K700 HydrophobicContact CG1-CB 4.33Å; K698-K700 PolarHBondContact O-N 3.29Å; K700-V702 PolarHBondContact O-N 2.95Å
701	S	45.5	Very low	58.2	Low	100 Å²	100	112.8 Å²	112.8	70%	0.699	57%	0.57	S	S	*	*			trans	-62.1	133.8	175.5	52.7	0	0	0	0	109.8	Q699 K703	Q699-S701 VanDerWaalsContact C-N 3.28Å; Q699-S701 PolarHBondContact O-N 2.71Å; S701-K703 VanDerWaalsContact C-N 3.28Å; S701-K703 PolarHBondContact O-N 2.61Å
702	V	52.4	Low	61.2	Low	73 Å²	73	108.1 Å²	108.1	44%	0.442	54%	0.542	S	S	.	.			trans	-75.9	85.1	178.8	-170.7	0	0	0	0	108.3	V548 K680 K700 T704	V548-V702 HydrophobicContact CG2-CG2 3.62Å; K680-V702 HydrophobicContact CB-CG1 4.36Å; K700-V702 PolarHBondContact O-N 2.95Å; V702-T704 PolarHBondContact O-N 2.79Å; V702-T704 VanDerWaalsContact O-N 3.16Å
703	K	55	Low	64.3	Low	101 Å²	101	104.8 Å²	104.8	44%	0.439	52%	0.524	S	S	.	.			trans	-55.6	120.1	166.8	-71.8	-172.5	-176.6	-174.8	0	107.7	E685 S701 F705	E685-K703 IonicContact OE2-NZ 2.6Å; E685-K703 PolarHBondContact OE2-NZ 3.24Å; S701-K703 VanDerWaalsContact C-N 3.28Å; S701-K703 PolarHBondContact O-N 2.61Å; K703-F705 HydrophobicContact CB-CD2 4.3Å; K703-F705 HydrophobicContact CB-CE1 4.33Å; K703-F705 HydrophobicContact CB-CE2 3.36Å; K703-F705 HydrophobicContact CB-CZ 3.4Å; K703-F705 HydrophobicContact CD-CE1 4.32Å; K703-F705 HydrophobicContact CD-CE2 4.3Å; K703-F705 HydrophobicContact CD-CZ 3.54Å; K703-F705 HydrophobicContact CG-CE2 4.5Å; K703-F705 HydrophobicContact CG-CZ 4.14Å; K703-F705 VanDerWaalsContact O-CD2 3.27Å; K703-F705 WeakPolarHBondContact O-CD2 3.43Å; K703-F705 WeakPolarHBondContact O-CE2 3.47Å
704	T	61.6	Low	67.1	Low	89 Å²	89	97.2 Å²	97.2	55%	0.546	49%	0.488	S	S	.	.			trans	-91.6	136.2	175.3	40.3	0	0	0	0	110.2	I678 L679 K680 V702	I678-T704 HydrophobicContact CG2-CG2 4.07Å; L679-T704 WeakPolarHBondContact O-CA 3.37Å; K680-T704 HydrophobicContact CG-CG2 4.4Å; V702-T704 PolarHBondContact O-N 2.79Å; V702-T704 VanDerWaalsContact O-N 3.16Å
705	F	79.3	Confident	70	Confident	71 Å²	71	85.8 Å²	85.8	31%	0.311	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	143.3	-176.9	-56.4	-87.8	0	0	0	110.6	L679 S683 K703 C707	L679-F705 PolarHBondContact N-O 3.2Å; L679-F705 PolarHBondContact O-N 3.38Å; S683-F705 VanDerWaalsContact CB-CZ 3.45Å; K703-F705 HydrophobicContact CB-CD2 4.3Å; K703-F705 HydrophobicContact CB-CE1 4.33Å; K703-F705 HydrophobicContact CB-CE2 3.36Å; K703-F705 HydrophobicContact CB-CZ 3.4Å; K703-F705 HydrophobicContact CD-CE1 4.32Å; K703-F705 HydrophobicContact CD-CE2 4.3Å; K703-F705 HydrophobicContact CD-CZ 3.54Å; K703-F705 HydrophobicContact CG-CE2 4.5Å; K703-F705 HydrophobicContact CG-CZ 4.14Å; K703-F705 VanDerWaalsContact O-CD2 3.27Å; K703-F705 WeakPolarHBondContact O-CD2 3.43Å; K703-F705 WeakPolarHBondContact O-CE2 3.47Å; F705-C707 PolarHBondContact O-N 3.39Å
706	M	85.7	Confident	73	Confident	106 Å²	106	81.9 Å²	81.9	52%	0.522	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	135.7	169.6	-59.2	-166	88.4	0	0	110.2	R676	R676-M706 HydrophobicContact CB-CE 4.05Å; R676-M706 HydrophobicContact CG-CE 4.04Å
707	C	90.5	Very high	76	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	41%	0.41	C	S	.	.			trans	-45.3	136.7	172.6	175.9	0	0	0	0	111.7	R676 P677 L679 F705 I709	R676-C707 HydrophobicContact CG-CB 4.48Å; R676-C707 PolarHBondContact NE-O 2.92Å; R676-C707 PolarHBondContact NH2-O 3.29Å; P677-C707 HydrophobicContact CG-CB 3.81Å; P677-C707 VanDerWaalsContact O-CB 3.31Å; P677-C707 WeakPolarHBondContact O-CB 3.2Å; P677-C707 PolarHBondContact O-N 3.2Å; L679-C707 HydrophobicContact CD1-CB 4.43Å; L679-C707 HydrophobicContact CD2-CB 4.09Å; L679-C707 HydrophobicContact CG-CB 4.22Å; F705-C707 PolarHBondContact O-N 3.39Å; C707-I709 PolarHBondContact O-N 2.99Å
708	P	91.5	Very high	79	Confident	43 Å²	43	74 Å²	74	28%	0.279	37%	0.372	S	S	.	.			trans	-47.5	129.9	178.3	-31	36	0	0	0	113	M552 N710 I711 Y712	M552-P708 HydrophobicContact CE-CG 4.12Å; P708-N710 WeakPolarHBondContact CB-OD1 3.46Å; P708-N710 PolarHBondContact O-N 3.2Å; P708-I711 HydrophobicContact CB-CD1 4Å; P708-I711 HydrophobicContact CB-CG1 4.16Å; P708-I711 HydrophobicContact CG-CD1 3.98Å; P708-I711 WeakPolarHBondContact O-CB 3.4Å; P708-I711 PolarHBondContact O-N 3.06Å; P708-Y712 PolarHBondContact O-N 2.78Å; P708-Y712 VanDerWaalsContact O-N 3.12Å
709	I	92.7	Very high	81.8	Confident	85 Å²	85	67 Å²	67	44%	0.436	34%	0.342	S	S	.	.	H	α-helix	trans	-61.9	-32.7	-169	-173.7	58.9	0	0	0	112.8	C707 Y712 N713	C707-I709 PolarHBondContact O-N 2.99Å; I709-Y712 HydrophobicContact CD1-CD1 4.11Å; I709-Y712 PolarHBondContact O-N 3.09Å; I709-N713 WeakPolarHBondContact O-CB 3.36Å; I709-N713 PolarHBondContact O-N 3.48Å; I709-N713 PolarHBondContact O-OD1 3.29Å
710	N	93.6	Very high	84.4	Confident	66 Å²	66	60.6 Å²	60.6	35%	0.353	31%	0.313	S	S	.	.	H	α-helix	trans	-62.6	-39.7	172.7	57	-25.4	0	0	0	113	P708 K714 F735 L739	P708-N710 WeakPolarHBondContact CB-OD1 3.46Å; P708-N710 PolarHBondContact O-N 3.2Å; N710-K714 PolarHBondContact O-N 3.46Å; N710-F735 WeakPolarHBondContact O-CZ 3.22Å; N710-L739 VanDerWaalsContact ND2-CD2 3.27Å; N710-L739 WeakPolarHBondContact ND2-CD2 3.38Å
711	I	95.5	Very high	86.7	Confident	6 Å²	6	56.4 Å²	56.4	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-49	174.2	-62.2	174.9	0	0	0	109.3	M552 L556 L649 P708 N713 K714 L715 L739	M552-I711 HydrophobicContact SD-CD1 3.97Å; L556-I711 HydrophobicContact CD2-CD1 4.22Å; L649-I711 HydrophobicContact CD1-CG2 4.09Å; P708-I711 HydrophobicContact CB-CD1 4Å; P708-I711 HydrophobicContact CB-CG1 4.16Å; P708-I711 HydrophobicContact CG-CD1 3.98Å; P708-I711 WeakPolarHBondContact O-CB 3.4Å; P708-I711 PolarHBondContact O-N 3.06Å; I711-N713 PolarHBondContact O-N 2.7Å; I711-K714 WeakPolarHBondContact O-CB 3.4Å; I711-K714 PolarHBondContact O-N 3.17Å; I711-K714 VanDerWaalsContact O-N 3.08Å; I711-L715 PolarHBondContact O-N 3.13Å; I711-L739 HydrophobicContact CD1-CD1 4.01Å; I711-L739 HydrophobicContact CG1-CD1 3.51Å
712	Y	97.2	Very high	89.1	Confident	38 Å²	38	53.6 Å²	53.6	15%	0.149	28%	0.279	C	S	.	.	H	α-helix	trans	-61.2	-40.7	179.5	179.6	-111.8	0	0	0	113.1	L674 R676 P708 I709 K714 L715 L716	L674-Y712 PolarHBondContact O-OH 3.23Å; R676-Y712 HydrophobicContact CB-CD1 3.9Å; R676-Y712 HydrophobicContact CB-CD2 3.82Å; R676-Y712 HydrophobicContact CB-CE1 3.91Å; R676-Y712 HydrophobicContact CB-CE2 3.84Å; R676-Y712 HydrophobicContact CB-CG 3.83Å; R676-Y712 HydrophobicContact CG-CD1 4.04Å; R676-Y712 HydrophobicContact CG-CD2 4.09Å; R676-Y712 HydrophobicContact CG-CG 3.76Å; R676-Y712 VanDerWaalsContact N-CE2 3.33Å; P708-Y712 PolarHBondContact O-N 2.78Å; P708-Y712 VanDerWaalsContact O-N 3.12Å; I709-Y712 HydrophobicContact CD1-CD1 4.11Å; I709-Y712 PolarHBondContact O-N 3.09Å; Y712-K714 VanDerWaalsContact C-N 3.29Å; Y712-K714 PolarHBondContact O-N 3.26Å; Y712-L715 WeakPolarHBondContact O-CB 3.5Å; Y712-L715 PolarHBondContact O-N 2.76Å; Y712-L715 VanDerWaalsContact O-N 3.07Å; Y712-L716 HydrophobicContact CD1-CD1 4.16Å; Y712-L716 HydrophobicContact CE1-CD1 3.7Å; Y712-L716 HydrophobicContact CE1-CD2 4.41Å; Y712-L716 HydrophobicContact CE1-CG 4.12Å; Y712-L716 HydrophobicContact CE2-CD2 4.43Å; Y712-L716 PolarHBondContact O-N 3Å
713	N	97.5	Very high	91.2	Very high	78 Å²	78	51.7 Å²	51.7	42%	0.417	27%	0.268	S	S	.	.	H	α-helix	trans	-60.2	-39.9	174.1	-70.7	5.2	0	0	0	111.3	I709 I711 L715 L716 E717	I709-N713 WeakPolarHBondContact O-CB 3.36Å; I709-N713 PolarHBondContact O-N 3.48Å; I709-N713 PolarHBondContact O-OD1 3.29Å; I711-N713 PolarHBondContact O-N 2.7Å; N713-L715 VanDerWaalsContact C-N 3.3Å; N713-L715 PolarHBondContact O-N 3.24Å; N713-L716 WeakPolarHBondContact O-CB 3.47Å; N713-L716 PolarHBondContact O-N 3.2Å; N713-L716 VanDerWaalsContact O-N 3.14Å; N713-E717 PolarHBondContact O-N 3.37Å
714	K	97.7	Very high	93.2	Very high	30 Å²	30	53 Å²	53	13%	0.13	28%	0.279	C	S	.	.	H	α-helix	trans	-65.8	-31.3	174.7	-168	62.6	66.4	-160.2	0	112.6	N710 I711 Y712 E717 C718 L732 F735	N710-K714 PolarHBondContact O-N 3.46Å; I711-K714 WeakPolarHBondContact O-CB 3.4Å; I711-K714 PolarHBondContact O-N 3.17Å; I711-K714 VanDerWaalsContact O-N 3.08Å; Y712-K714 VanDerWaalsContact C-N 3.29Å; Y712-K714 PolarHBondContact O-N 3.26Å; K714-E717 HydrophobicContact CD-CB 4.48Å; K714-E717 WeakPolarHBondContact CE-OE1 3.17Å; K714-E717 IonicContact NZ-OE1 3.67Å; K714-E717 PolarHBondContact NZ-OE1 2.62Å; K714-E717 IonicContact NZ-OE2 2.68Å; K714-E717 PolarHBondContact NZ-OE2 3.03Å; K714-E717 WeakPolarHBondContact O-CB 3.48Å; K714-E717 PolarHBondContact O-N 3.47Å; K714-C718 PolarHBondContact O-N 3.39Å; K714-C718 PolarHBondContact O-SG 3.08Å; K714-L732 HydrophobicContact CD-CD2 3.76Å; K714-L732 HydrophobicContact CG-CD2 3.61Å; K714-F735 HydrophobicContact CB-CD1 4.22Å; K714-F735 HydrophobicContact CB-CE1 3.65Å; K714-F735 HydrophobicContact CB-CE2 4.49Å; K714-F735 HydrophobicContact CB-CZ 3.81Å; K714-F735 HydrophobicContact CD-CD1 4.43Å; K714-F735 HydrophobicContact CD-CG 4.46Å; K714-F735 HydrophobicContact CG-CD1 3.78Å; K714-F735 HydrophobicContact CG-CE1 3.75Å; K714-F735 HydrophobicContact CG-CG 4.29Å; K714-F735 HydrophobicContact CG-CZ 4.24Å
715	L	98.1	Very high	94.9	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.026	28%	0.283	C	S	.	.	H	α-helix	trans	-67.4	-38.1	170.8	-57.6	-177.3	0	0	0	112.2	V645 L649 I711 Y712 N713 E717 C718 W719	V645-L715 HydrophobicContact CB-CD2 3.76Å; V645-L715 HydrophobicContact CG1-CD2 3.72Å; L649-L715 HydrophobicContact CD1-CD1 4.25Å; I711-L715 PolarHBondContact O-N 3.13Å; Y712-L715 WeakPolarHBondContact O-CB 3.5Å; Y712-L715 PolarHBondContact O-N 2.76Å; Y712-L715 VanDerWaalsContact O-N 3.07Å; N713-L715 VanDerWaalsContact C-N 3.3Å; N713-L715 PolarHBondContact O-N 3.24Å; L715-E717 VanDerWaalsContact C-N 3.31Å; L715-E717 PolarHBondContact O-N 3.39Å; L715-C718 WeakPolarHBondContact O-CB 3.39Å; L715-C718 PolarHBondContact O-N 3.18Å; L715-W719 HydrophobicContact CB-CE3 4.19Å; L715-W719 HydrophobicContact CB-CH2 3.83Å; L715-W719 HydrophobicContact CB-CZ2 4.22Å; L715-W719 HydrophobicContact CB-CZ3 3.82Å; L715-W719 HydrophobicContact CD1-CH2 4.05Å; L715-W719 VanDerWaalsContact O-CD2 3.23Å; L715-W719 PolarHBondContact O-N 3.14Å
716	L	98.2	Very high	95.8	Very high	67 Å²	67	51.9 Å²	51.9	35%	0.351	27%	0.269	S	S	.	.	H	α-helix	trans	-63.6	-36.2	173.5	-65	176.3	0	0	0	112.1	R673 Y712 N713 W719 N720	R673-L716 HydrophobicContact CB-CD2 4.27Å; R673-L716 HydrophobicContact CG-CD2 4.44Å; Y712-L716 HydrophobicContact CD1-CD1 4.16Å; Y712-L716 HydrophobicContact CE1-CD1 3.7Å; Y712-L716 HydrophobicContact CE1-CD2 4.41Å; Y712-L716 HydrophobicContact CE1-CG 4.12Å; Y712-L716 HydrophobicContact CE2-CD2 4.43Å; Y712-L716 PolarHBondContact O-N 3Å; N713-L716 WeakPolarHBondContact O-CB 3.47Å; N713-L716 PolarHBondContact O-N 3.2Å; N713-L716 VanDerWaalsContact O-N 3.14Å; L716-W719 HydrophobicContact CD2-CE3 4.31Å; L716-W719 CarbonylContact O-C 3.37Å; L716-W719 PolarHBondContact O-N 3.42Å; L716-N720 PolarHBondContact O-N 3.21Å
717	E	98.3	Very high	96.4	Very high	77 Å²	77	47.5 Å²	47.5	36%	0.36	25%	0.249	S	C	.	.	H	α-helix	trans	-63.2	-45.1	170.2	-64.7	171.2	-122.3	0	0	111.8	N713 K714 L715 W719 N720	N713-E717 PolarHBondContact O-N 3.37Å; K714-E717 HydrophobicContact CD-CB 4.48Å; K714-E717 WeakPolarHBondContact CE-OE1 3.17Å; K714-E717 IonicContact NZ-OE1 3.67Å; K714-E717 PolarHBondContact NZ-OE1 2.62Å; K714-E717 IonicContact NZ-OE2 2.68Å; K714-E717 PolarHBondContact NZ-OE2 3.03Å; K714-E717 WeakPolarHBondContact O-CB 3.48Å; K714-E717 PolarHBondContact O-N 3.47Å; L715-E717 VanDerWaalsContact C-N 3.31Å; L715-E717 PolarHBondContact O-N 3.39Å; E717-W719 PolarHBondContact O-N 3.03Å; E717-N720 WeakPolarHBondContact O-CB 3.42Å; E717-N720 PolarHBondContact O-N 3.21Å
718	C	98.6	Very high	96.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.4	-31.3	173.9	-65.3	0	0	0	0	112.8	V638 W639 K714 L715 R726	V638-C718 HydrophobicContact CG1-CB 4.14Å; W639-C718 WeakPolarHBondContact CA-O 3.35Å; K714-C718 PolarHBondContact O-N 3.39Å; K714-C718 PolarHBondContact O-SG 3.08Å; L715-C718 WeakPolarHBondContact O-CB 3.39Å; L715-C718 PolarHBondContact O-N 3.18Å; C718-R726 VanDerWaalsContact O-CD 3.3Å; C718-R726 WeakPolarHBondContact O-CD 3.5Å
719	W	98.4	Very high	97.2	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.008	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	25.6	178.2	-52.5	-41.5	0	0	0	114.1	W639 G642 I643 H646 R673 L674 L715 L716 E717 I721	W639-W719 HydrophobicContact CD2-CB 4.48Å; W639-W719 AromaticContact CD2-CD1 3.78Å; W639-W719 HydrophobicContact CD2-CG 4.48Å; W639-W719 AromaticContact CE2-CD1 3.98Å; W639-W719 HydrophobicContact CE3-CB 3.96Å; W639-W719 HydrophobicContact CE3-CG 4.43Å; W639-W719 HydrophobicContact CH2-CB 4.14Å; W639-W719 HydrophobicContact CZ3-CB 3.78Å; W639-W719 VanDerWaalsContact CZ3-O 3.31Å; W639-W719 WeakPolarHBondContact CZ3-O 3.47Å; W639-W719 PolarHBondContact O-NE1 3.47Å; G642-W719 VanDerWaalsContact C-CZ2 3.49Å; G642-W719 VanDerWaalsContact O-CZ2 3.29Å; G642-W719 WeakPolarHBondContact O-CZ2 3.44Å; I643-W719 HydrophobicContact CD1-CZ2 3.81Å; H646-W719 HydrophobicContact CB-CH2 4.44Å; H646-W719 HydrophobicContact CB-CZ2 4.4Å; R673-W719 HydrophobicContact CB-CE3 4.27Å; R673-W719 VanDerWaalsContact CZ-O 3.31Å; R673-W719 PolarHBondContact NE-O 3.13Å; R673-W719 PolarHBondContact NH2-O 3.36Å; L674-W719 HydrophobicContact CB-CH2 3.78Å; L674-W719 HydrophobicContact CB-CZ3 3.99Å; L674-W719 HydrophobicContact CD1-CH2 3.9Å; L674-W719 HydrophobicContact CD1-CZ2 3.91Å; L674-W719 HydrophobicContact CG-CH2 4.3Å; L715-W719 HydrophobicContact CB-CE3 4.19Å; L715-W719 HydrophobicContact CB-CH2 3.83Å; L715-W719 HydrophobicContact CB-CZ2 4.22Å; L715-W719 HydrophobicContact CB-CZ3 3.82Å; L715-W719 HydrophobicContact CD1-CH2 4.05Å; L715-W719 VanDerWaalsContact O-CD2 3.23Å; L715-W719 PolarHBondContact O-N 3.14Å; L716-W719 HydrophobicContact CD2-CE3 4.31Å; L716-W719 CarbonylContact O-C 3.37Å; L716-W719 PolarHBondContact O-N 3.42Å; E717-W719 PolarHBondContact O-N 3.03Å; W719-I721 PolarHBondContact O-N 3.14Å
720	N	98	Very high	97.4	Very high	52 Å²	52	47.9 Å²	47.9	28%	0.278	25%	0.253	S	S	.	.			trans	-58.5	139.9	171.4	-159.7	-38.7	0	0	0	110.4	L716 E717 S722 E725 R726	L716-N720 PolarHBondContact O-N 3.21Å; E717-N720 WeakPolarHBondContact O-CB 3.42Å; E717-N720 PolarHBondContact O-N 3.21Å; N720-S722 VanDerWaalsContact C-N 3.31Å; N720-S722 PolarHBondContact OD1-N 2.91Å; N720-S722 VanDerWaalsContact OD1-N 3.13Å; N720-E725 HydrophobicContact CB-CB 4.2Å; N720-E725 WeakPolarHBondContact ND2-CB 3.44Å; N720-R726 HydrophobicContact CB-CG 3.94Å; N720-R726 PolarHBondContact O-NE 3.14Å; N720-R726 PolarHBondContact O-NH2 3.17Å; N720-R726 VanDerWaalsContact O-NH2 3.13Å
721	I	95.7	Very high	97.6	Very high	96 Å²	96	47.3 Å²	47.3	49%	0.492	25%	0.254	S	S	.	.	S	Bend	trans	-67.8	-33.3	178.9	-170.2	58.9	0	0	0	111.4	P624 W719	P624-I721 HydrophobicContact CB-CD1 4.02Å; P624-I721 HydrophobicContact CG-CD1 3.9Å; W719-I721 PolarHBondContact O-N 3.14Å
722	S	96	Very high	97.7	Very high	40 Å²	40	47.1 Å²	47.1	28%	0.28	25%	0.253	S	S	.	.	S	Bend	trans	-79	126.7	166.9	-178.5	0	0	0	0	109.6	N720 D724	N720-S722 VanDerWaalsContact C-N 3.31Å; N720-S722 PolarHBondContact OD1-N 2.91Å; N720-S722 VanDerWaalsContact OD1-N 3.13Å; S722-D724 VanDerWaalsContact C-N 3.33Å; S722-D724 PolarHBondContact O-N 3.17Å
723	P	96.8	Very high	97.8	Very high	34 Å²	34	48.4 Å²	48.4	22%	0.221	26%	0.258	C	S	.	.	S	Bend	trans	-63.8	-35.6	176.2	-22.8	34.7	0	0	0	113.4	E625 K635 E725 R726	E625-P723 HydrophobicContact CG-CG 4.16Å; K635-P723 HydrophobicContact CB-CB 3.81Å; K635-P723 VanDerWaalsContact CD-O 3.25Å; K635-P723 WeakPolarHBondContact CD-O 3.37Å; K635-P723 HydrophobicContact CG-CB 4.36Å; K635-P723 WeakPolarHBondContact CG-O 3.5Å; P723-E725 VanDerWaalsContact C-N 3.34Å; P723-E725 PolarHBondContact O-N 2.89Å; P723-R726 WeakPolarHBondContact O-CB 3.46Å; P723-R726 PolarHBondContact O-N 3.39Å
724	D	96.6	Very high	97.7	Very high	127 Å²	127	47.9 Å²	47.9	68%	0.679	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-34.7	-174.3	-57.6	-51.3	0	0	0	112.2	K635 S722 R726	K635-D724 PolarHBondContact NZ-O 3.36Å; S722-D724 VanDerWaalsContact C-N 3.33Å; S722-D724 PolarHBondContact O-N 3.17Å; D724-R726 PolarHBondContact O-N 3.46Å
725	E	97.9	Very high	97.8	Very high	134 Å²	134	48.8 Å²	48.8	63%	0.626	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-4.3	176.4	-61.2	-68.8	152.1	0	0	114	N720 P723	N720-E725 HydrophobicContact CB-CB 4.2Å; N720-E725 WeakPolarHBondContact ND2-CB 3.44Å; P723-E725 VanDerWaalsContact C-N 3.34Å; P723-E725 PolarHBondContact O-N 2.89Å
726	R	98.5	Very high	97.7	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.015	27%	0.265	C	S	.	.	S	Bend	trans	-78.3	147.9	171.9	-57.6	174.3	-168.2	152.1	12.1	109.1	E625 K635 V638 C718 N720 P723 D724	E625-R726 IonicContact OE1-CZ 2.7Å; E625-R726 IonicContact OE1-NH1 2.62Å; E625-R726 PolarHBondContact OE1-NH1 3.45Å; E625-R726 IonicContact OE1-NH2 2.61Å; E625-R726 PolarHBondContact OE1-NH2 3.44Å; E625-R726 IonicContact OE2-CZ 2.58Å; E625-R726 IonicContact OE2-NH1 2.71Å; E625-R726 IonicContact OE2-NH2 2.6Å; E625-R726 PolarHBondContact OE2-NH2 2.93Å; K635-R726 HydrophobicContact CD-CB 4.44Å; K635-R726 PolarHBondContact NZ-O 2.81Å; K635-R726 VanDerWaalsContact O-CD 3.31Å; K635-R726 WeakPolarHBondContact O-CD 3.46Å; K635-R726 PolarHBondContact O-NH1 3.41Å; V638-R726 HydrophobicContact CG1-CB 3.92Å; C718-R726 VanDerWaalsContact O-CD 3.3Å; C718-R726 WeakPolarHBondContact O-CD 3.5Å; N720-R726 HydrophobicContact CB-CG 3.94Å; N720-R726 PolarHBondContact O-NE 3.14Å; N720-R726 PolarHBondContact O-NH2 3.17Å; N720-R726 VanDerWaalsContact O-NH2 3.13Å; P723-R726 WeakPolarHBondContact O-CB 3.46Å; P723-R726 PolarHBondContact O-N 3.39Å; D724-R726 PolarHBondContact O-N 3.46Å
727	P	98.3	Very high	97.5	Very high	14 Å²	14	48.8 Å²	48.8	9%	0.091	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-62.3	167.6	177.8	25.9	-34.5	0	0	0	112.6	V638 L732	V638-P727 HydrophobicContact CG1-CG 4.15Å; P727-L732 HydrophobicContact CB-CD2 4.43Å; P727-L732 HydrophobicContact CB-CG 4.12Å; P727-L732 HydrophobicContact CG-CD1 4.02Å; P727-L732 HydrophobicContact CG-CD2 3.84Å; P727-L732 HydrophobicContact CG-CG 3.85Å
728	S	98.2	Very high	97.3	Very high	44 Å²	44	46.3 Å²	46.3	31%	0.308	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-83.3	161.7	162.7	58.7	0	0	0	0	110.7	E570 N730 S731 L732	E570-S728 WeakPolarHBondContact OE2-CB 3.31Å; S728-N730 VanDerWaalsContact C-N 3.26Å; S728-N730 PolarHBondContact O-N 3.07Å; S728-S731 WeakPolarHBondContact O-CB 3.44Å; S728-S731 PolarHBondContact O-N 3.08Å; S728-S731 WeakPolarHBondContact OG-CB 3.41Å; S728-S731 PolarHBondContact OG-N 2.97Å; S728-L732 PolarHBondContact O-N 3.34Å; S728-L732 VanDerWaalsContact O-N 3.1Å
729	F	98.6	Very high	97.1	Very high	1 Å²	1	47 Å²	47	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-33.3	175.4	-75.8	-67.9	0	0	0	112	V563 M566 V567 E570 D637 V638 F641 S731 L732 Y733	V563-F729 HydrophobicContact CG2-CD1 4.13Å; M566-F729 HydrophobicContact CB-CB 4.33Å; M566-F729 HydrophobicContact CB-CD1 3.41Å; M566-F729 VanDerWaalsContact CB-CD1 3.41Å; M566-F729 HydrophobicContact CB-CD2 4Å; M566-F729 HydrophobicContact CB-CE1 3.51Å; M566-F729 HydrophobicContact CB-CE2 4.07Å; M566-F729 HydrophobicContact CB-CG 3.65Å; M566-F729 HydrophobicContact CB-CZ 3.83Å; M566-F729 HydrophobicContact CE-CE1 4.34Å; M566-F729 HydrophobicContact CE-CE2 3.7Å; M566-F729 HydrophobicContact CE-CZ 3.59Å; M566-F729 HydrophobicContact CG-CD1 4.23Å; M566-F729 HydrophobicContact CG-CE1 3.84Å; M566-F729 HydrophobicContact CG-CZ 4.07Å; V567-F729 VanDerWaalsContact CG2-C 3.46Å; V567-F729 HydrophobicContact CG2-CB 3.86Å; V567-F729 WeakPolarHBondContact CG2-O 3.38Å; E570-F729 HydrophobicContact CB-CD2 4.08Å; E570-F729 WeakPolarHBondContact OE2-CB 3.42Å; E570-F729 PolarHBondContact OE2-N 2.94Å; D637-F729 HydrophobicContact CB-CE2 4.05Å; D637-F729 HydrophobicContact CB-CZ 3.88Å; V638-F729 HydrophobicContact CB-CZ 4.27Å; V638-F729 HydrophobicContact CG2-CD1 4.22Å; V638-F729 HydrophobicContact CG2-CD2 3.89Å; V638-F729 HydrophobicContact CG2-CE1 3.89Å; V638-F729 HydrophobicContact CG2-CE2 3.55Å; V638-F729 HydrophobicContact CG2-CG 4.24Å; V638-F729 HydrophobicContact CG2-CZ 3.56Å; F641-F729 HydrophobicContact CB-CE1 3.73Å; F641-F729 HydrophobicContact CB-CZ 4.28Å; F641-F729 HydrophobicContact CD1-CE1 4.38Å; F641-F729 HydrophobicContact CD2-CE1 4.21Å; F641-F729 AromaticContact CG-CE1 3.86Å; F641-F729 HydrophobicContact CG-CE1 3.86Å; F729-S731 PolarHBondContact O-N 2.87Å; F729-L732 HydrophobicContact CD1-CD1 4.08Å; F729-L732 HydrophobicContact CE1-CD1 4.46Å; F729-L732 WeakPolarHBondContact O-CB 3.45Å; F729-L732 PolarHBondContact O-N 3.36Å; F729-Y733 PolarHBondContact O-N 3.01Å
730	N	97.6	Very high	96.5	Very high	91 Å²	91	47.6 Å²	47.6	49%	0.487	27%	0.265	S	S	.	.	H	α-helix	trans	-62.7	-42.6	174	-173.3	28.5	0	0	0	111.8	S728 L732 Y733 S734	S728-N730 VanDerWaalsContact C-N 3.26Å; S728-N730 PolarHBondContact O-N 3.07Å; N730-L732 VanDerWaalsContact C-N 3.3Å; N730-L732 PolarHBondContact O-N 3.05Å; N730-Y733 PolarHBondContact O-N 3.12Å; N730-S734 PolarHBondContact O-N 3.36Å; N730-S734 PolarHBondContact O-OG 3.41Å
731	S	98	Very high	96.1	Very high	54 Å²	54	49.6 Å²	49.6	38%	0.378	27%	0.272	S	S	.	.	H	α-helix	trans	-62.1	-38.4	175.2	-174.3	0	0	0	0	112.3	S728 F729 F735	S728-S731 WeakPolarHBondContact O-CB 3.44Å; S728-S731 PolarHBondContact O-N 3.08Å; S728-S731 WeakPolarHBondContact OG-CB 3.41Å; S728-S731 PolarHBondContact OG-N 2.97Å; F729-S731 PolarHBondContact O-N 2.87Å; S731-F735 WeakPolarHBondContact O-CB 3.45Å; S731-F735 PolarHBondContact O-N 3.38Å; S731-F735 VanDerWaalsContact O-N 3.13Å
732	L	98.4	Very high	95.7	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-67.4	-40.5	174.2	-70.2	165.4	0	0	0	112.3	V563 V638 F641 K714 P727 S728 F729 N730 F735 I736	V563-L732 HydrophobicContact CG2-CB 3.67Å; V638-L732 HydrophobicContact CG1-CD1 4.12Å; V638-L732 HydrophobicContact CG2-CD1 4.48Å; F641-L732 HydrophobicContact CD1-CD1 3.8Å; F641-L732 HydrophobicContact CE1-CB 4.38Å; F641-L732 HydrophobicContact CE1-CD1 3.85Å; F641-L732 HydrophobicContact CE1-CD2 4.24Å; F641-L732 HydrophobicContact CE1-CG 4.4Å; K714-L732 HydrophobicContact CD-CD2 3.76Å; K714-L732 HydrophobicContact CG-CD2 3.61Å; P727-L732 HydrophobicContact CB-CD2 4.43Å; P727-L732 HydrophobicContact CB-CG 4.12Å; P727-L732 HydrophobicContact CG-CD1 4.02Å; P727-L732 HydrophobicContact CG-CD2 3.84Å; P727-L732 HydrophobicContact CG-CG 3.85Å; S728-L732 PolarHBondContact O-N 3.34Å; S728-L732 VanDerWaalsContact O-N 3.1Å; F729-L732 HydrophobicContact CD1-CD1 4.08Å; F729-L732 HydrophobicContact CE1-CD1 4.46Å; F729-L732 WeakPolarHBondContact O-CB 3.45Å; F729-L732 PolarHBondContact O-N 3.36Å; N730-L732 VanDerWaalsContact C-N 3.3Å; N730-L732 PolarHBondContact O-N 3.05Å; L732-F735 PolarHBondContact O-N 3.22Å; L732-I736 WeakPolarHBondContact O-CG1 3.26Å; L732-I736 PolarHBondContact O-N 2.75Å
733	Y	97.8	Very high	95.1	Very high	64 Å²	64	50.7 Å²	50.7	25%	0.251	27%	0.269	S	S	.	.	H	α-helix	trans	-60	-53.1	176.5	-178.6	-80.2	0	0	0	111	K560 V563 F729 N730 F735 I736 E737	K560-Y733 WeakPolarHBondContact CE-OH 3.31Å; K560-Y733 HydrophobicContact CG-CE2 4.08Å; K560-Y733 PolarHBondContact NZ-OH 3.49Å; V563-Y733 HydrophobicContact CG1-CD2 3.86Å; V563-Y733 HydrophobicContact CG1-CG 4.33Å; F729-Y733 PolarHBondContact O-N 3.01Å; N730-Y733 PolarHBondContact O-N 3.12Å; Y733-F735 VanDerWaalsContact C-N 3.27Å; Y733-F735 PolarHBondContact O-N 3.27Å; Y733-I736 PolarHBondContact O-N 3.04Å; Y733-E737 HydrophobicContact CE1-CB 4.49Å; Y733-E737 WeakPolarHBondContact CE1-OE2 3.31Å; Y733-E737 WeakPolarHBondContact O-CB 3.42Å; Y733-E737 PolarHBondContact O-N 2.87Å
734	S	97.2	Very high	94	Very high	67 Å²	67	51.9 Å²	51.9	47%	0.469	27%	0.273	S	S	.	.	H	α-helix	trans	-60.9	-35.5	178.3	-51.3	0	0	0	0	112.6	N730 G738	N730-S734 PolarHBondContact O-N 3.36Å; N730-S734 PolarHBondContact O-OG 3.41Å; S734-G738 PolarHBondContact O-N 2.77Å
735	F	97.9	Very high	93.2	Very high	50 Å²	50	51.9 Å²	51.9	22%	0.219	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-49.4	174.9	174.2	-97.9	0	0	0	111.9	N710 K714 S731 L732 Y733 G738 L739	N710-F735 WeakPolarHBondContact O-CZ 3.22Å; K714-F735 HydrophobicContact CB-CD1 4.22Å; K714-F735 HydrophobicContact CB-CE1 3.65Å; K714-F735 HydrophobicContact CB-CE2 4.49Å; K714-F735 HydrophobicContact CB-CZ 3.81Å; K714-F735 HydrophobicContact CD-CD1 4.43Å; K714-F735 HydrophobicContact CD-CG 4.46Å; K714-F735 HydrophobicContact CG-CD1 3.78Å; K714-F735 HydrophobicContact CG-CE1 3.75Å; K714-F735 HydrophobicContact CG-CG 4.29Å; K714-F735 HydrophobicContact CG-CZ 4.24Å; S731-F735 WeakPolarHBondContact O-CB 3.45Å; S731-F735 PolarHBondContact O-N 3.38Å; S731-F735 VanDerWaalsContact O-N 3.13Å; L732-F735 PolarHBondContact O-N 3.22Å; Y733-F735 VanDerWaalsContact C-N 3.27Å; Y733-F735 PolarHBondContact O-N 3.27Å; F735-G738 PolarHBondContact O-N 3.26Å; F735-L739 HydrophobicContact CD1-CD1 4.29Å; F735-L739 HydrophobicContact CE1-CD1 3.64Å; F735-L739 HydrophobicContact CE1-CG 4.37Å; F735-L739 HydrophobicContact CZ-CD1 3.82Å; F735-L739 HydrophobicContact CZ-CG 4.38Å; F735-L739 WeakPolarHBondContact O-CG 3.48Å; F735-L739 PolarHBondContact O-N 3.16Å; F735-L739 VanDerWaalsContact O-N 3.13Å
736	I	96.4	Very high	92.1	Very high	7 Å²	7	50.1 Å²	50.1	4%	0.036	26%	0.257	C	S	.	.	H	α-helix	trans	-67.2	-39.9	-179.3	-65.7	-66.8	0	0	0	111.4	L556 I559 K560 L732 Y733 L739 L740	L556-I736 HydrophobicContact CD2-CD1 4.21Å; L556-I736 HydrophobicContact CD2-CG2 4.43Å; I559-I736 HydrophobicContact CB-CG2 4.36Å; I559-I736 HydrophobicContact CG2-CD1 3.69Å; I559-I736 HydrophobicContact CG2-CG1 3.81Å; I559-I736 HydrophobicContact CG2-CG2 4.14Å; K560-I736 HydrophobicContact CB-CG2 3.97Å; L732-I736 WeakPolarHBondContact O-CG1 3.26Å; L732-I736 PolarHBondContact O-N 2.75Å; Y733-I736 PolarHBondContact O-N 3.04Å; I736-L739 PolarHBondContact O-N 2.75Å; I736-L739 VanDerWaalsContact O-N 3.14Å; I736-L740 WeakPolarHBondContact O-CB 3.41Å; I736-L740 PolarHBondContact O-N 2.96Å
737	E	93.5	Very high	90.5	Very high	65 Å²	65	50.8 Å²	50.8	30%	0.304	26%	0.261	S	S	.	.	H	α-helix	trans	-60.1	-45.9	173.6	-177	159.3	-111.4	0	0	111.8	K560 Y733 L739 L740 E741	K560-E737 WeakPolarHBondContact CE-OE1 3.27Å; K560-E737 IonicContact NZ-OE1 2.75Å; K560-E737 PolarHBondContact NZ-OE1 3.14Å; Y733-E737 HydrophobicContact CE1-CB 4.49Å; Y733-E737 WeakPolarHBondContact CE1-OE2 3.31Å; Y733-E737 WeakPolarHBondContact O-CB 3.42Å; Y733-E737 PolarHBondContact O-N 2.87Å; E737-L739 PolarHBondContact O-N 2.62Å; E737-L740 PolarHBondContact O-N 2.89Å; E737-L740 VanDerWaalsContact O-N 3.14Å; E737-E741 PolarHBondContact O-N 2.83Å
738	G	94.6	Very high	88.8	Confident	25 Å²	25	53.8 Å²	53.8	26%	0.258	28%	0.279	S	S	.	.	H	α-helix	trans	-67.2	-12.5	174.7	0	0	0	0	0	115.3	S734 F735 K742	S734-G738 PolarHBondContact O-N 2.77Å; F735-G738 PolarHBondContact O-N 3.26Å; G738-K742 WeakPolarHBondContact O-CD 3.13Å; G738-K742 WeakPolarHBondContact O-CE 3.27Å; G738-K742 WeakPolarHBondContact O-CG 3.18Å
739	L	94	Very high	86.7	Confident	13 Å²	13	56.4 Å²	56.4	7%	0.068	30%	0.297	C	S	.	.	H	α-helix	trans	-88.4	-44.4	165.9	-64.6	-174.3	0	0	0	111.6	L556 N710 I711 F735 I736 E737 E741 K742 E743	L556-L739 HydrophobicContact CD1-CB 3.95Å; L556-L739 HydrophobicContact CD2-CB 4.15Å; L556-L739 HydrophobicContact CD2-CD1 4.13Å; N710-L739 VanDerWaalsContact ND2-CD2 3.27Å; N710-L739 WeakPolarHBondContact ND2-CD2 3.38Å; I711-L739 HydrophobicContact CD1-CD1 4.01Å; I711-L739 HydrophobicContact CG1-CD1 3.51Å; F735-L739 HydrophobicContact CD1-CD1 4.29Å; F735-L739 HydrophobicContact CE1-CD1 3.64Å; F735-L739 HydrophobicContact CE1-CG 4.37Å; F735-L739 HydrophobicContact CZ-CD1 3.82Å; F735-L739 HydrophobicContact CZ-CG 4.38Å; F735-L739 WeakPolarHBondContact O-CG 3.48Å; F735-L739 PolarHBondContact O-N 3.16Å; F735-L739 VanDerWaalsContact O-N 3.13Å; I736-L739 PolarHBondContact O-N 2.75Å; I736-L739 VanDerWaalsContact O-N 3.14Å; E737-L739 PolarHBondContact O-N 2.62Å; L739-E741 VanDerWaalsContact C-N 3.29Å; L739-E741 PolarHBondContact O-N 2.94Å; L739-K742 WeakPolarHBondContact O-CB 3.21Å; L739-K742 PolarHBondContact O-N 3.15Å; L739-E743 PolarHBondContact O-N 2.86Å; L739-E743 VanDerWaalsContact O-N 3.08Å
740	L	87.4	Confident	84.3	Confident	16 Å²	16	61.4 Å²	61.4	8%	0.084	32%	0.321	C	S	.	.	H	α-helix	trans	-60.2	-40.3	179.4	-179.7	57.6	0	0	0	111.4	K553 L556 E557 K560 I736 E737 K742 E743 I744	K553-L740 HydrophobicContact CG-CD1 3.8Å; L556-L740 HydrophobicContact CB-CB 4.43Å; L556-L740 HydrophobicContact CB-CD1 4.25Å; E557-L740 HydrophobicContact CG-CD1 3.72Å; E557-L740 HydrophobicContact CG-CD2 3.87Å; E557-L740 HydrophobicContact CG-CG 4.47Å; K560-L740 HydrophobicContact CD-CD2 3.89Å; I736-L740 WeakPolarHBondContact O-CB 3.41Å; I736-L740 PolarHBondContact O-N 2.96Å; E737-L740 PolarHBondContact O-N 2.89Å; E737-L740 VanDerWaalsContact O-N 3.14Å; L740-K742 VanDerWaalsContact C-N 3.28Å; L740-K742 PolarHBondContact O-N 2.98Å; L740-E743 PolarHBondContact O-N 3.22Å; L740-I744 HydrophobicContact CD1-CD1 4.11Å; L740-I744 HydrophobicContact CD1-CG1 4.31Å; L740-I744 HydrophobicContact CG-CD1 3.9Å; L740-I744 WeakPolarHBondContact O-CB 3.23Å; L740-I744 VanDerWaalsContact O-CG1 3.26Å; L740-I744 WeakPolarHBondContact O-CG1 3.36Å; L740-I744 PolarHBondContact O-N 3.37Å
741	E	88.4	Confident	81.7	Confident	94 Å²	94	66.1 Å²	66.1	44%	0.439	34%	0.338	S	S	.	.	H	α-helix	trans	-54.6	-41.7	170.2	-86.7	-161.8	-153.4	0	0	113.2	E737 L739 I744 K745	E737-E741 PolarHBondContact O-N 2.83Å; L739-E741 VanDerWaalsContact C-N 3.29Å; L739-E741 PolarHBondContact O-N 2.94Å; E741-I744 PolarHBondContact O-N 2.85Å; E741-K745 WeakPolarHBondContact O-CB 3.37Å; E741-K745 WeakPolarHBondContact O-CD 3.43Å; E741-K745 VanDerWaalsContact O-CG 3.23Å; E741-K745 WeakPolarHBondContact O-CG 3.5Å; E741-K745 PolarHBondContact O-N 3.2Å; E741-K745 IonicContact OE2-NZ 2.65Å; E741-K745 PolarHBondContact OE2-NZ 2.79Å
742	K	88.8	Confident	80.9	Confident	127 Å²	127	66.8 Å²	66.8	55%	0.552	34%	0.336	S	S	*	.	H	α-helix	trans	-71.3	-40.2	-176.8	-68.1	169.7	-172.6	166.5	0	110.9	G738 L739 L740 K745 K746	G738-K742 WeakPolarHBondContact O-CD 3.13Å; G738-K742 WeakPolarHBondContact O-CE 3.27Å; G738-K742 WeakPolarHBondContact O-CG 3.18Å; L739-K742 WeakPolarHBondContact O-CB 3.21Å; L739-K742 PolarHBondContact O-N 3.15Å; L740-K742 VanDerWaalsContact C-N 3.28Å; L740-K742 PolarHBondContact O-N 2.98Å; K742-K745 PolarHBondContact O-N 3.49Å; K742-K746 WeakPolarHBondContact O-CG 3.42Å; K742-K746 PolarHBondContact O-N 3.29Å
743	E	82.2	Confident	80	Confident	32 Å²	32	70.2 Å²	70.2	15%	0.15	35%	0.353	C	S	.	.	H	α-helix	trans	-67	-37.4	172	-60.2	-50.1	119.9	0	0	112	M552 K553 L556 L739 L740 K746 D747	M552-E743 HydrophobicContact CG-CG 4.3Å; K553-E743 HydrophobicContact CB-CB 4.29Å; L556-E743 HydrophobicContact CD1-CG 3.78Å; L739-E743 PolarHBondContact O-N 2.86Å; L739-E743 VanDerWaalsContact O-N 3.08Å; L740-E743 PolarHBondContact O-N 3.22Å; E743-K746 PolarHBondContact O-N 2.68Å; E743-K746 WeakPolarHBondContact OE1-CE 3.42Å; E743-K746 IonicContact OE1-NZ 3.46Å; E743-K746 PolarHBondContact OE1-NZ 3.14Å; E743-K746 IonicContact OE2-NZ 2.69Å; E743-K746 PolarHBondContact OE2-NZ 3.16Å; E743-D747 PolarHBondContact O-N 3.43Å
744	I	73.9	Confident	79	Confident	59 Å²	59	70.5 Å²	70.5	30%	0.303	36%	0.359	S	S	.	.	H	α-helix	trans	-63.3	-42.1	173.5	-72.5	168.5	0	0	0	111.2	K109 K553 L740 E741 D747 V748	K109-I744 PolarHBondContact NZ-O 3.27Å; K553-I744 HydrophobicContact CD-CG1 4.4Å; L740-I744 HydrophobicContact CD1-CD1 4.11Å; L740-I744 HydrophobicContact CD1-CG1 4.31Å; L740-I744 HydrophobicContact CG-CD1 3.9Å; L740-I744 WeakPolarHBondContact O-CB 3.23Å; L740-I744 VanDerWaalsContact O-CG1 3.26Å; L740-I744 WeakPolarHBondContact O-CG1 3.36Å; L740-I744 PolarHBondContact O-N 3.37Å; E741-I744 PolarHBondContact O-N 2.85Å; I744-D747 WeakPolarHBondContact O-CB 3.36Å; I744-D747 PolarHBondContact O-N 2.97Å; I744-V748 WeakPolarHBondContact O-CG2 3.46Å; I744-V748 PolarHBondContact O-N 3.11Å
745	K	78.9	Confident	78	Confident	126 Å²	126	70.7 Å²	70.7	55%	0.548	35%	0.352	S	S	.	.	H	α-helix	trans	-65.5	-42.5	177.1	-75.3	161.2	179.6	167.4	0	111.5	E741 K742 V748 S749	E741-K745 WeakPolarHBondContact O-CB 3.37Å; E741-K745 WeakPolarHBondContact O-CD 3.43Å; E741-K745 VanDerWaalsContact O-CG 3.23Å; E741-K745 WeakPolarHBondContact O-CG 3.5Å; E741-K745 PolarHBondContact O-N 3.2Å; E741-K745 IonicContact OE2-NZ 2.65Å; E741-K745 PolarHBondContact OE2-NZ 2.79Å; K742-K745 PolarHBondContact O-N 3.49Å; K745-V748 PolarHBondContact O-N 3.47Å; K745-V748 VanDerWaalsContact O-N 3.11Å; K745-S749 PolarHBondContact O-N 2.75Å; K745-S749 PolarHBondContact O-OG 3.3Å
746	K	76.3	Confident	76.7	Confident	98 Å²	98	72 Å²	72	43%	0.426	36%	0.361	S	S	.	.	H	α-helix	trans	-56.1	-50.8	172.1	-75	174.4	-177.8	173	0	112.6	K742 E743 V748 S749 M750	K742-K746 WeakPolarHBondContact O-CG 3.42Å; K742-K746 PolarHBondContact O-N 3.29Å; E743-K746 PolarHBondContact O-N 2.68Å; E743-K746 WeakPolarHBondContact OE1-CE 3.42Å; E743-K746 IonicContact OE1-NZ 3.46Å; E743-K746 PolarHBondContact OE1-NZ 3.14Å; E743-K746 IonicContact OE2-NZ 2.69Å; E743-K746 PolarHBondContact OE2-NZ 3.16Å; K746-V748 PolarHBondContact O-N 2.7Å; K746-S749 WeakPolarHBondContact CA-OG 3.39Å; K746-S749 PolarHBondContact O-N 3.24Å; K746-S749 VanDerWaalsContact O-N 3.16Å; K746-S749 PolarHBondContact O-OG 3.4Å; K746-M750 HydrophobicContact CB-CE 4.2Å; K746-M750 WeakPolarHBondContact O-CE 3.41Å; K746-M750 WeakPolarHBondContact O-CG 3.38Å; K746-M750 PolarHBondContact O-N 2.68Å; K746-M750 VanDerWaalsContact O-N 3.14Å
747	D	64.9	Low	75.4	Confident	17 Å²	17	76.3 Å²	76.3	9%	0.091	38%	0.382	C	S	.	.	H	α-helix	trans	-57.5	-28.8	176.6	-89.5	-24.7	0	0	0	112.8	K109 R551 K553 E743 I744 K751	K109-D747 IonicContact NZ-OD2 2.7Å; K109-D747 PolarHBondContact NZ-OD2 2.86Å; R551-D747 IonicContact NH1-OD1 2.68Å; R551-D747 PolarHBondContact NH1-OD1 3.22Å; K553-D747 WeakPolarHBondContact CD-OD2 3.36Å; E743-D747 PolarHBondContact O-N 3.43Å; I744-D747 WeakPolarHBondContact O-CB 3.36Å; I744-D747 PolarHBondContact O-N 2.97Å; D747-K751 WeakPolarHBondContact O-CG 3.27Å
748	V	61.2	Low	74.1	Confident	78 Å²	78	77.1 Å²	77.1	47%	0.473	39%	0.388	S	S	.	.	H	α-helix	trans	-84.2	-31.8	178.5	172	0	0	0	0	111.4	I744 K745 K746 M750	I744-V748 WeakPolarHBondContact O-CG2 3.46Å; I744-V748 PolarHBondContact O-N 3.11Å; K745-V748 PolarHBondContact O-N 3.47Å; K745-V748 VanDerWaalsContact O-N 3.11Å; K746-V748 PolarHBondContact O-N 2.7Å; V748-M750 PolarHBondContact O-N 2.6Å
749	S	54.2	Low	72.5	Confident	98 Å²	98	81.2 Å²	81.2	69%	0.685	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-3.4	170.3	55	0	0	0	0	114.5	K745 K746	K745-S749 PolarHBondContact O-N 2.75Å; K745-S749 PolarHBondContact O-OG 3.3Å; K746-S749 WeakPolarHBondContact CA-OG 3.39Å; K746-S749 PolarHBondContact O-N 3.24Å; K746-S749 VanDerWaalsContact O-N 3.16Å; K746-S749 PolarHBondContact O-OG 3.4Å
750	M	49.7	Very low	70.8	Confident	106 Å²	106	86.8 Å²	86.8	52%	0.522	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	10.1	176.7	-68.7	-174.2	-65.9	0	0	112.9	T684 K746 V748	T684-M750 HydrophobicContact CG2-CE 3.9Å; K746-M750 HydrophobicContact CB-CE 4.2Å; K746-M750 WeakPolarHBondContact O-CE 3.41Å; K746-M750 WeakPolarHBondContact O-CG 3.38Å; K746-M750 PolarHBondContact O-N 2.68Å; K746-M750 VanDerWaalsContact O-N 3.14Å; V748-M750 PolarHBondContact O-N 2.6Å
751	K	43.4	Very low	69.2	Low	191 Å²	191	93.3 Å²	93.3	83%	0.83	46%	0.456	S	S	*	.			trans	-123	0	178	-83.4	-172.7	177.5	-171.1	0	110.3	D107 D747	D107-K751 IonicContact OD2-NZ 3.29Å; D107-K751 PolarHBondContact OD2-NZ 2.84Å; D747-K751 WeakPolarHBondContact O-CG 3.27Å

Retrieved 751 of 751 residues in 254.3 ms (Link to these results)

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