A0A087XDL2_POEFO Loading...

Ribosomal protein S6 kinase

AlphaFold DB , UniProt , Accession A0A087XDL2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 753 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	27.7	Very low	29	Very low	62 Å²	62	98.3 Å²	98.3	31%	0.305	54%	0.542	S	S	.	.				0	92.7	0	-65	-91.4	-84.9	0	0	110.2	V94 T222 D223	M1-V94 HydrophobicContact CG-CG2 4.45Å; M1-T222 HydrophobicContact SD-CG2 4.31Å; M1-D223 HydrophobicContact CE-CB 4.16Å; M1-D223 HydrophobicContact SD-CB 4.32Å
2	P	25.6	Very low	29.3	Very low	45 Å²	45	102.4 Å²	102.4	29%	0.292	57%	0.572	S	S	.	*			trans	-89.3	112.1	166.6	37.2	-33.4	0	0	0	110.2	K747	P2-K747 HydrophobicContact CB-CG 4.38Å
3	L	30	Very low	29.1	Very low	47 Å²	47	108.7 Å²	108.7	25%	0.246	60%	0.598	C	S	.	*	P	Polyproline II helix	trans	-90.8	124.7	170	-84.5	165	0	0	0	109.7	D223	L3-D223 WeakPolarHBondContact CD2-OD1 3.42Å; L3-D223 WeakPolarHBondContact CD2-OD2 3.33Å
4	A	26	Very low	28.8	Very low	60 Å²	60	114.4 Å²	114.4	50%	0.496	62%	0.618	S	S	.	*	P	Polyproline II helix	trans	-63	135.8	-174.6	0	0	0	0	0	113.5
5	Q	28.6	Very low	28.8	Very low	150 Å²	150	118.1 Å²	118.1	70%	0.701	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-94.3	137.1	163.1	-80.1	-174.7	-11.4	0	0	110.5
6	I	27.6	Very low	28.6	Very low	94 Å²	94	119.3 Å²	119.3	48%	0.482	65%	0.649	S	S	.	*			trans	-110.6	115.3	158.3	-62	173.4	0	0	0	105.8	F240	I6-F240 HydrophobicContact CD1-CD1 4.41Å
7	A	28.4	Very low	28.5	Very low	89 Å²	89	122.4 Å²	122.4	74%	0.736	66%	0.658	S	S	*	*			trans	-98.8	136.9	164.4	0	0	0	0	0	108.6
8	E	28.4	Very low	28.5	Very low	116 Å²	116	124.9 Å²	124.9	54%	0.542	67%	0.67	S	S	.	*			trans	-163.8	159.9	161.6	-108.2	-179.1	-132.7	0	0	107.9
9	P	36.4	Very low	28.4	Very low	98 Å²	98	126.8 Å²	126.8	64%	0.636	68%	0.68	S	S	*	*			cis	-141.7	158.3	5.7	12	16.4	0	0	0	118.9
10	W	32.4	Very low	28.4	Very low	205 Å²	205	127.5 Å²	127.5	78%	0.777	69%	0.689	S	S	*	*			trans	50.7	136.6	147	-43.8	113.4	0	0	0	124.3
11	P	27.4	Very low	28.4	Very low	115 Å²	115	129.6 Å²	129.6	75%	0.747	70%	0.695	S	S	*	*				-85.5	136.5	124.5	22.7	-8.2	0	0	0	110.3	M13	P11-M13 PolarHBondContact O-N 3.21Å
12	T	32.8	Very low	28.5	Very low	148 Å²	148	134.2 Å²	134.2	91%	0.908	72%	0.721	S	S	*	*			trans	-45.8	126	176.6	5.1	0	0	0	0	112.5
13	M	26.4	Very low	28.6	Very low	184 Å²	184	135.9 Å²	135.9	91%	0.906	75%	0.745	S	S	*	*			trans	-120.7	129.9	167.1	-117	-179.9	161.2	0	0	108.6	P11	P11-M13 PolarHBondContact O-N 3.21Å
14	E	26.1	Very low	28.5	Very low	188 Å²	188	142.5 Å²	142.5	88%	0.879	78%	0.775	S	S	*	*			trans	-58.9	142.5	-173.7	-70.7	170.2	146.1	0	0	113	V16	E14-V16 PolarHBondContact O-N 3.43Å
15	L	27.8	Very low	28.4	Very low	170 Å²	170	144.3 Å²	144.3	89%	0.89	78%	0.784	S	S	*	*			trans	-64.6	108.9	163.7	-80.5	152.5	0	0	0	108.3	Q17	L15-Q17 PolarHBondContact O-N 3.24Å; L15-Q17 VanDerWaalsContact O-N 3.1Å
16	V	26.6	Very low	28.2	Very low	138 Å²	138	143 Å²	143	84%	0.836	79%	0.787	S	S	*	*			trans	-70.2	103.3	162.2	179	0	0	0	0	107	E14	E14-V16 PolarHBondContact O-N 3.43Å
17	Q	26.3	Very low	28.2	Very low	171 Å²	171	144 Å²	144	80%	0.799	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-68.1	132.9	165.4	-76.6	178.4	-26.4	0	0	108.7	L15 D19	L15-Q17 PolarHBondContact O-N 3.24Å; L15-Q17 VanDerWaalsContact O-N 3.1Å; Q17-D19 PolarHBondContact O-N 3.36Å
18	L	28.4	Very low	28.2	Very low	169 Å²	169	147.6 Å²	147.6	89%	0.885	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-73.3	119.4	165.5	-88.3	146.3	0	0	0	107.8	T20	L18-T20 PolarHBondContact O-N 3.09Å
19	D	26.5	Very low	28.1	Very low	161 Å²	161	149.5 Å²	149.5	86%	0.861	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-57.4	123.5	174.3	-72.8	-40.8	0	0	0	111.2	Q17	Q17-D19 PolarHBondContact O-N 3.36Å
20	T	29.2	Very low	27.6	Very low	140 Å²	140	148.4 Å²	148.4	86%	0.859	82%	0.819	S	S	*	*			trans	-107.3	130	152.5	36.5	0	0	0	0	108.1	L18	L18-T20 PolarHBondContact O-N 3.09Å
21	E	28	Very low	27.2	Very low	172 Å²	172	144.7 Å²	144.7	80%	0.804	82%	0.819	S	S	*	*			trans	-58.9	150.8	-171.3	-63.8	175.5	141.5	0	0	115.7
22	N	29.4	Very low	27.1	Very low	159 Å²	159	145.5 Å²	145.5	85%	0.85	82%	0.822	S	S	*	*			trans	76.1	119.6	147.3	-66.5	-26.1	0	0	0	120.5
23	G	28.7	Very low	26.8	Very low	79 Å²	79	142.8 Å²	142.8	81%	0.814	81%	0.814	S	S	*	*			trans	153	77	149.9	0	0	0	0	0	118.1
24	Q	26.3	Very low	26.9	Very low	187 Å²	187	139.1 Å²	139.1	87%	0.874	81%	0.813	S	S	*	*			trans	4.4	138.5	152.9	-77	171.4	-17.7	0	0	123.3
25	S	25.5	Very low	26.8	Very low	98 Å²	98	136 Å²	136	69%	0.685	81%	0.807	S	S	*	*			trans	98.8	122.4	130.1	72.9	0	0	0	0	121.4
26	T	24.6	Very low	26.8	Very low	122 Å²	122	137.7 Å²	137.7	75%	0.748	81%	0.807	S	S	*	*			trans	56.4	138.1	134.6	54.9	0	0	0	0	118.8
27	T	26.7	Very low	26.8	Very low	114 Å²	114	138.3 Å²	138.3	70%	0.699	81%	0.805	S	S	*	*			cis	-174.9	154.3	20.5	16.1	0	0	0	0	108.4
28	E	27.5	Very low	27.2	Very low	166 Å²	166	139.1 Å²	139.1	78%	0.776	81%	0.809	S	S	*	*			trans	56.1	126.1	143	-68.9	177.7	169.5	0	0	124.5
29	D	26.6	Very low	27.5	Very low	156 Å²	156	136.1 Å²	136.1	83%	0.834	80%	0.802	S	S	*	*			trans	64	133.8	131.5	-65.1	-14.7	0	0	0	123.9
30	G	26	Very low	27.9	Very low	74 Å²	74	137.2 Å²	137.2	76%	0.763	80%	0.802	S	S	*	*			trans	140.1	72.9	146.7	0	0	0	0	0	119.1
31	V	25.1	Very low	28.1	Very low	128 Å²	128	136.8 Å²	136.8	78%	0.776	79%	0.793	S	S	*	*			trans	14	130.8	138.4	-170.5	0	0	0	0	120.5
32	T	25.8	Very low	28.9	Very low	132 Å²	132	131.9 Å²	131.9	81%	0.81	78%	0.775	S	S	*	*			trans	72.5	116.2	153.1	52.7	0	0	0	0	121.4
33	A	25	Very low	29.4	Very low	91 Å²	91	133.4 Å²	133.4	75%	0.752	77%	0.769	S	S	*	*				173.4	129.7	106.8	0	0	0	0	0	110.3	V35	A33-V35 PolarHBondContact O-N 2.74Å
34	A	29.4	Very low	30	Very low	107 Å²	107	133.3 Å²	133.3	88%	0.884	75%	0.749	S	S	*	*			trans	-68.6	111	176.7	0	0	0	0	0	110.8
35	V	24.6	Very low	30.6	Very low	123 Å²	123	129.5 Å²	129.5	75%	0.745	73%	0.732	S	S	*	*			trans	-114.1	106.8	162.2	-179.5	0	0	0	0	106.8	A33 N37	A33-V35 PolarHBondContact O-N 2.74Å; V35-N37 PolarHBondContact O-N 3.27Å
36	K	26.2	Very low	31.1	Very low	205 Å²	205	133.7 Å²	133.7	89%	0.891	73%	0.732	S	S	*	*			trans	-66.8	112.1	168	-81	179.2	174.5	178.5	0	107.6
37	N	26.5	Very low	31.9	Very low	150 Å²	150	133.6 Å²	133.6	80%	0.802	72%	0.723	S	S	*	*			trans	-84.7	114.2	169.3	-128.6	3.5	0	0	0	108.6	V35 S39	V35-N37 PolarHBondContact O-N 3.27Å; N37-S39 PolarHBondContact O-N 3.36Å
38	E	36.2	Very low	32.4	Very low	189 Å²	189	134.8 Å²	134.8	88%	0.883	72%	0.719	S	S	*	*			trans	-69	112.6	165.5	-72.6	178	145.9	0	0	109.5
39	S	34	Very low	32.8	Very low	105 Å²	105	129.3 Å²	129.3	73%	0.734	70%	0.702	S	S	*	*			trans	-167.7	79.8	154.8	56.8	0	0	0	0	110.8	N37	N37-S39 PolarHBondContact O-N 3.36Å
40	Q	35.6	Very low	33.2	Very low	185 Å²	185	128.2 Å²	128.2	86%	0.864	70%	0.696	S	S	*	*			trans	-149.1	63.3	159.5	-127.4	-179.6	18.8	0	0	109.9
41	I	33.2	Very low	33.7	Very low	130 Å²	130	130.7 Å²	130.7	67%	0.667	69%	0.691	S	S	*	*			trans	-89.1	115.4	167.6	-62.9	176.9	0	0	0	107.1	E45	I41-E45 WeakPolarHBondContact CA-OE2 3.32Å; I41-E45 HydrophobicContact CG2-CB 4.02Å; I41-E45 WeakPolarHBondContact CG2-OE2 3.45Å
42	T	44.5	Very low	34.1	Very low	70 Å²	70	134.9 Å²	134.9	43%	0.429	69%	0.693	S	S	.	*			trans	-81.6	149.4	177.5	58.8	0	0	0	0	110.1	I44 E45	T42-I44 PolarHBondContact O-N 3.28Å; T42-E45 PolarHBondContact N-OE2 3.24Å; T42-E45 PolarHBondContact O-N 3.43Å
43	W	40	Very low	34.5	Very low	191 Å²	191	136.6 Å²	136.6	72%	0.723	69%	0.691	S	S	*	*	H	α-helix	trans	-46.4	-27.1	175.2	61	-68.1	0	0	0	114.6	R46 E47	W43-R46 PolarHBondContact O-N 3.35Å; W43-E47 PolarHBondContact O-N 3.05Å
44	I	40.5	Very low	34.9	Very low	77 Å²	77	140.3 Å²	140.3	40%	0.395	69%	0.693	S	S	.	*	H	α-helix	trans	-65	-39.9	176.3	-62	172.7	0	0	0	111.5	T42 R46 E47 F48	T42-I44 PolarHBondContact O-N 3.28Å; I44-R46 VanDerWaalsContact C-N 3.3Å; I44-R46 PolarHBondContact O-N 3.36Å; I44-E47 PolarHBondContact O-N 3.49Å; I44-F48 HydrophobicContact CG2-CD2 3.76Å; I44-F48 HydrophobicContact CG2-CE2 3.73Å; I44-F48 VanDerWaalsContact O-CD2 3.26Å; I44-F48 WeakPolarHBondContact O-CD2 3.34Å; I44-F48 PolarHBondContact O-N 3.1Å; I44-F48 VanDerWaalsContact O-N 3.08Å
45	E	38.6	Very low	35.1	Very low	107 Å²	107	143.7 Å²	143.7	50%	0.5	69%	0.69	S	S	.	*	H	α-helix	trans	-69.9	-28.6	178.5	-70.4	172	146	0	0	112.2	I41 T42 A49	I41-E45 WeakPolarHBondContact CA-OE2 3.32Å; I41-E45 HydrophobicContact CG2-CB 4.02Å; I41-E45 WeakPolarHBondContact CG2-OE2 3.45Å; T42-E45 PolarHBondContact N-OE2 3.24Å; T42-E45 PolarHBondContact O-N 3.43Å; E45-A49 VanDerWaalsContact O-CB 3.32Å; E45-A49 WeakPolarHBondContact O-CB 3.48Å; E45-A49 PolarHBondContact O-N 3.25Å
46	R	37.4	Very low	35.6	Very low	185 Å²	185	146.5 Å²	146.5	70%	0.698	70%	0.702	S	S	*	*	H	α-helix	trans	-70.9	-35.3	172.8	-80	-178.1	173.8	171.1	-1.4	112.6	W43 I44 N50	W43-R46 PolarHBondContact O-N 3.35Å; I44-R46 VanDerWaalsContact C-N 3.3Å; I44-R46 PolarHBondContact O-N 3.36Å; R46-N50 PolarHBondContact O-N 2.81Å
47	E	40.5	Very low	35.8	Very low	120 Å²	120	139.1 Å²	139.1	56%	0.561	68%	0.683	S	S	*	*	H	α-helix	trans	-72.4	-37.6	177	-128.8	178.2	165.6	0	0	111.8	W43 I44 I51	W43-E47 PolarHBondContact O-N 3.05Å; I44-E47 PolarHBondContact O-N 3.49Å; E47-I51 WeakPolarHBondContact O-CG1 3.4Å
48	F	36.5	Very low	36.3	Very low	139 Å²	139	140.5 Å²	140.5	61%	0.61	69%	0.691	S	S	*	*	H	α-helix	trans	-73.3	-26.8	174.3	-82.6	-74.6	0	0	0	114	I44	I44-F48 HydrophobicContact CG2-CD2 3.76Å; I44-F48 HydrophobicContact CG2-CE2 3.73Å; I44-F48 VanDerWaalsContact O-CD2 3.26Å; I44-F48 WeakPolarHBondContact O-CD2 3.34Å; I44-F48 PolarHBondContact O-N 3.1Å; I44-F48 VanDerWaalsContact O-N 3.08Å
49	A	36.8	Very low	36.1	Very low	51 Å²	51	137.4 Å²	137.4	42%	0.421	68%	0.679	S	S	.	*	H	α-helix	trans	-74	-35.6	175.2	0	0	0	0	0	112.6	E45 R52	E45-A49 VanDerWaalsContact O-CB 3.32Å; E45-A49 WeakPolarHBondContact O-CB 3.48Å; E45-A49 PolarHBondContact O-N 3.25Å; A49-R52 PolarHBondContact O-N 3.08Å
50	N	34.7	Very low	35.9	Very low	133 Å²	133	141.9 Å²	141.9	71%	0.711	69%	0.685	S	S	*	*	H	α-helix	trans	-73.3	-24.3	179.3	-85.3	-5.7	0	0	0	113.9	R46 R52	R46-N50 PolarHBondContact O-N 2.81Å; N50-R52 VanDerWaalsContact C-N 3.3Å
51	I	37.4	Very low	35.5	Very low	127 Å²	127	141.6 Å²	141.6	65%	0.651	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-19.4	175.5	-65.1	167.8	0	0	0	111.8	E47	E47-I51 WeakPolarHBondContact O-CG1 3.4Å
52	R	33.7	Very low	35.2	Very low	215 Å²	215	142.3 Å²	142.3	81%	0.811	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-6	-178	-73.1	-175.5	178.5	-177.8	0.6	115	A49 N50	A49-R52 PolarHBondContact O-N 3.08Å; N50-R52 VanDerWaalsContact C-N 3.3Å
53	H	33.1	Very low	34.3	Very low	168 Å²	168	144.6 Å²	144.6	78%	0.778	70%	0.697	S	S	*	*	S	Bend	trans	-115.5	9.4	-170.9	-92.6	-57.5	0	0	0	116.4
54	Q	34.3	Very low	33.7	Very low	169 Å²	169	141 Å²	141	79%	0.79	69%	0.691	S	S	*	*	S	Bend	trans	-137.6	100.2	169.5	-86.7	177.1	-21.3	0	0	109.8
55	E	33.6	Very low	33.3	Very low	178 Å²	178	141.8 Å²	141.8	83%	0.832	70%	0.699	S	S	*	*			trans	154.6	74.2	149.7	-85.4	174.6	-172.1	0	0	108.7
56	D	33.8	Very low	33.3	Very low	183 Å²	183	142.4 Å²	142.4	98%	0.979	70%	0.702	S	S	*	*			trans	-95.6	93.8	157.6	-161	17.5	0	0	0	106.5
57	G	31	Very low	33.2	Very low	49 Å²	49	139.3 Å²	139.3	51%	0.505	70%	0.703	S	S	.	*	S	Bend	trans	-168.9	117.9	178.7	0	0	0	0	0	108.7	I59	G57-I59 PolarHBondContact O-N 3.22Å
58	D	36.3	Very low	33.1	Very low	180 Å²	180	136.9 Å²	136.9	96%	0.963	70%	0.696	S	S	*	*			trans	-49.5	92.3	-179.3	-85.4	-46.7	0	0	0	112.7
59	I	32.4	Very low	33.1	Very low	124 Å²	124	137.3 Å²	137.3	64%	0.636	70%	0.698	S	S	*	*			trans	-95.7	107.8	165.9	-61.2	172	0	0	0	107	G57 E61	G57-I59 PolarHBondContact O-N 3.22Å; I59-E61 PolarHBondContact O-N 3.22Å
60	K	29.9	Very low	32.8	Very low	198 Å²	198	144.5 Å²	144.5	86%	0.861	72%	0.723	S	S	*	*			trans	-60.5	105.9	165.4	-77.8	-178.7	176.6	176.7	0	108.6	I62	K60-I62 PolarHBondContact O-N 3.2Å; K60-I62 VanDerWaalsContact O-N 3.11Å
61	E	28.1	Very low	32.9	Very low	179 Å²	179	142.3 Å²	142.3	84%	0.836	73%	0.732	S	S	*	*			trans	-58.2	111.4	174.5	-74.1	-171.9	145.9	0	0	110.7	I59	I59-E61 PolarHBondContact O-N 3.22Å
62	I	26.2	Very low	33.4	Very low	145 Å²	145	138.6 Å²	138.6	74%	0.744	72%	0.717	S	S	*	*			trans	-84.7	112.7	163.1	-56.5	175.2	0	0	0	106.5	K60 I64	K60-I62 PolarHBondContact O-N 3.2Å; K60-I62 VanDerWaalsContact O-N 3.11Å; I62-I64 VanDerWaalsContact C-N 3.34Å; I62-I64 HydrophobicContact CB-CG1 4.46Å; I62-I64 HydrophobicContact CG2-CD1 4.47Å; I62-I64 HydrophobicContact CG2-CG1 3.87Å; I62-I64 PolarHBondContact O-N 2.77Å
63	N	25.5	Very low	34.3	Very low	119 Å²	119	135 Å²	135	64%	0.636	71%	0.71	S	S	*	*			trans	-67.1	88.1	173.7	-110.3	-41.8	0	0	0	109.9	T65	N63-T65 PolarHBondContact O-N 3.11Å
64	I	28.2	Very low	35.8	Very low	115 Å²	115	133.9 Å²	133.9	59%	0.59	70%	0.703	S	S	*	*			trans	-90.2	94.6	171.7	-53.8	177.1	0	0	0	108	I62 V67	I62-I64 VanDerWaalsContact C-N 3.34Å; I62-I64 HydrophobicContact CB-CG1 4.46Å; I62-I64 HydrophobicContact CG2-CD1 4.47Å; I62-I64 HydrophobicContact CG2-CG1 3.87Å; I62-I64 PolarHBondContact O-N 2.77Å; I64-V67 HydrophobicContact CG2-CG2 4.31Å
65	T	31.8	Very low	37.7	Very low	94 Å²	94	126.4 Å²	126.4	58%	0.577	67%	0.67	S	S	*	*			trans	-86.6	-12.6	178.1	41.5	0	0	0	0	113.8	N63	N63-T65 PolarHBondContact O-N 3.11Å
66	H	38.1	Very low	40	Very low	120 Å²	120	121.2 Å²	121.2	56%	0.556	65%	0.648	S	S	*	*			trans	-147.8	112.4	-170.6	-59.5	-62.3	0	0	0	111.5
67	V	35.3	Very low	42.3	Very low	119 Å²	119	113.9 Å²	113.9	72%	0.721	61%	0.613	S	S	*	*			trans	-101.1	94.6	162.8	-170.1	0	0	0	0	106	I64	I64-V67 HydrophobicContact CG2-CG2 4.31Å
68	V	38.9	Very low	44.9	Very low	69 Å²	69	115.8 Å²	115.8	42%	0.418	62%	0.618	S	S	.	*			trans	-113.1	127.7	167.3	-170.6	0	0	0	0	105.1	E70 S72	V68-E70 PolarHBondContact O-N 3.08Å; V68-S72 WeakPolarHBondContact CG1-O 3.38Å
69	K	37.3	Very low	47.3	Very low	149 Å²	149	108.3 Å²	108.3	65%	0.648	58%	0.578	S	S	*	*			trans	-58.8	130	173.2	-163.2	-179.2	-177.1	-175.3	0	107.8	G71 S72	K69-G71 PolarHBondContact O-N 3.12Å; K69-S72 PolarHBondContact O-N 3.25Å; K69-S72 VanDerWaalsContact O-N 3.17Å; K69-S72 PolarHBondContact O-OG 2.81Å
70	E	29.7	Very low	50.1	Low	201 Å²	201	103 Å²	103	94%	0.939	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	120.9	-178.1	-120.8	174.3	174.3	0	0	110.5	V68	V68-E70 PolarHBondContact O-N 3.08Å
71	G	37.5	Very low	52.9	Low	88 Å²	88	97.1 Å²	97.1	91%	0.907	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.5	-0.1	179.3	0	0	0	0	0	117.5	K69	K69-G71 PolarHBondContact O-N 3.12Å
72	S	46.4	Very low	55.7	Low	48 Å²	48	91 Å²	91	34%	0.336	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-98	128.8	-179.7	-36.8	0	0	0	0	112.1	V68 K69	V68-S72 WeakPolarHBondContact CG1-O 3.38Å; K69-S72 PolarHBondContact O-N 3.25Å; K69-S72 VanDerWaalsContact O-N 3.17Å; K69-S72 PolarHBondContact O-OG 2.81Å
73	E	53.3	Low	58.3	Low	141 Å²	141	85.9 Å²	85.9	66%	0.659	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-62.3	140.6	171.6	-81.8	-167	165.1	0	0	111.3	A75	E73-A75 PolarHBondContact O-N 3.04Å
74	K	65.4	Low	61.1	Low	143 Å²	143	82.2 Å²	82.2	62%	0.622	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-67.7	120.1	176.6	-175	-179.9	178.4	-177.3	0	109.6	D76 Q79	K74-D76 PolarHBondContact O-N 3.29Å; K74-Q79 PolarHBondContact O-NE2 3.24Å
75	A	73.4	Confident	63.7	Low	12 Å²	12	76.9 Å²	76.9	10%	0.099	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-65.5	131.6	175.2	0	0	0	0	0	111.5	E73 Q79 Y147 F149	E73-A75 PolarHBondContact O-N 3.04Å; A75-Q79 VanDerWaalsContact CA-OE1 3.26Å; A75-Y147 HydrophobicContact CB-CD1 4.18Å; A75-F149 HydrophobicContact CB-CB 4.21Å; A75-F149 HydrophobicContact CB-CD1 3.75Å; A75-F149 HydrophobicContact CB-CE1 4.49Å; A75-F149 HydrophobicContact CB-CG 4.22Å; A75-F149 WeakPolarHBondContact O-CB 3.21Å
76	D	82.1	Confident	66.2	Low	70 Å²	70	73.1 Å²	73.1	37%	0.374	40%	0.399	S	S	.	.			trans	-140.2	152.5	179.6	-176.2	-149.5	0	0	0	112	K74 S78 Q79 F80	K74-D76 PolarHBondContact O-N 3.29Å; D76-S78 PolarHBondContact O-N 2.94Å; D76-S78 PolarHBondContact OD1-OG 3.12Å; D76-Q79 HydrophobicContact CB-CG 4.5Å; D76-Q79 VanDerWaalsContact O-CB 3.31Å; D76-Q79 WeakPolarHBondContact O-CB 3.18Å; D76-Q79 PolarHBondContact O-N 2.89Å; D76-F80 WeakPolarHBondContact O-CD2 3.27Å
77	A	82	Confident	68.2	Low	29 Å²	29	67.5 Å²	67.5	24%	0.24	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-58.6	-30.8	178.9	0	0	0	0	0	112.7	Q79 F80 F149 Y156	A77-Q79 PolarHBondContact O-N 3.42Å; A77-F80 PolarHBondContact O-N 2.72Å; A77-F80 VanDerWaalsContact O-N 3.16Å; A77-F149 HydrophobicContact CB-CE2 3.95Å; A77-F149 HydrophobicContact CB-CZ 4.32Å; A77-F149 VanDerWaalsContact N-CE2 3.28Å; A77-Y156 HydrophobicContact CB-CE1 4.21Å
78	S	84.9	Confident	70.2	Confident	89 Å²	89	65.9 Å²	65.9	62%	0.622	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-62.9	-20	177	61.7	0	0	0	0	113.8	D76 F80	D76-S78 PolarHBondContact O-N 2.94Å; D76-S78 PolarHBondContact OD1-OG 3.12Å; S78-F80 PolarHBondContact O-N 3.01Å
79	Q	88	Confident	71.5	Confident	23 Å²	23	63.9 Å²	63.9	11%	0.107	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-80.5	-1.5	178.1	-59.1	172.8	-33.4	0	0	113.1	K74 A75 D76 A77 K99 V100 T101	K74-Q79 PolarHBondContact O-NE2 3.24Å; A75-Q79 VanDerWaalsContact CA-OE1 3.26Å; D76-Q79 HydrophobicContact CB-CG 4.5Å; D76-Q79 VanDerWaalsContact O-CB 3.31Å; D76-Q79 WeakPolarHBondContact O-CB 3.18Å; D76-Q79 PolarHBondContact O-N 2.89Å; A77-Q79 PolarHBondContact O-N 3.42Å; Q79-K99 CarbonylContact O-C 3.57Å; Q79-K99 WeakPolarHBondContact O-CA 3.34Å; Q79-V100 WeakPolarHBondContact O-CG2 3.42Å; Q79-V100 PolarHBondContact O-N 3.19Å; Q79-T101 HydrophobicContact CB-CG2 4.13Å; Q79-T101 HydrophobicContact CG-CG2 3.92Å
80	F	90.4	Very high	72.4	Confident	11 Å²	11	59.5 Å²	59.5	5%	0.048	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	114.8	-174.8	-63.2	-84.5	0	0	0	111.1	D76 A77 S78 V97 R98 K99 Y109 M111 Y147 F149 I158	D76-F80 WeakPolarHBondContact O-CD2 3.27Å; A77-F80 PolarHBondContact O-N 2.72Å; A77-F80 VanDerWaalsContact O-N 3.16Å; S78-F80 PolarHBondContact O-N 3.01Å; F80-V97 HydrophobicContact CB-CB 4.13Å; F80-V97 HydrophobicContact CB-CG2 4.28Å; F80-V97 HydrophobicContact CD1-CB 4.49Å; F80-V97 HydrophobicContact CD1-CG2 3.83Å; F80-V97 HydrophobicContact CG-CG2 4.4Å; F80-R98 CarbonylContact C-O 3.53Å; F80-R98 WeakPolarHBondContact CA-O 3.24Å; F80-K99 HydrophobicContact CD1-CB 4.14Å; F80-K99 HydrophobicContact CD1-CG 4.23Å; F80-K99 HydrophobicContact CE1-CB 4.05Å; F80-K99 HydrophobicContact CE1-CD 4.08Å; F80-K99 HydrophobicContact CE1-CG 3.91Å; F80-K99 HydrophobicContact CZ-CD 4.35Å; F80-K99 HydrophobicContact CZ-CG 4.39Å; F80-Y109 HydrophobicContact CE1-CD2 4.1Å; F80-M111 HydrophobicContact CB-CE 3.3Å; F80-M111 HydrophobicContact CD1-CE 4.34Å; F80-M111 HydrophobicContact CD2-CE 3.96Å; F80-M111 HydrophobicContact CG-CE 3.62Å; F80-Y147 HydrophobicContact CE1-CD2 4.37Å; F80-Y147 AromaticContact CZ-CD2 3.88Å; F80-Y147 HydrophobicContact CZ-CD2 3.88Å; F80-Y147 HydrophobicContact CZ-CE2 4.26Å; F80-Y147 HydrophobicContact CZ-CG 4.22Å; F80-F149 HydrophobicContact CD2-CE1 4.24Å; F80-F149 HydrophobicContact CD2-CZ 4.22Å; F80-F149 AromaticContact CE2-CE1 3.76Å; F80-F149 HydrophobicContact CE2-CE1 3.76Å; F80-F149 HydrophobicContact CE2-CZ 4.2Å; F80-I158 HydrophobicContact CD1-CD1 4.45Å; F80-I158 HydrophobicContact CD2-CD1 4.5Å; F80-I158 HydrophobicContact CE1-CD1 4.26Å; F80-I158 HydrophobicContact CE1-CG1 4.17Å; F80-I158 HydrophobicContact CE1-CG2 3.9Å; F80-I158 HydrophobicContact CE2-CD1 4.33Å; F80-I158 HydrophobicContact CE2-CG1 4.23Å; F80-I158 HydrophobicContact CZ-CD1 4.21Å; F80-I158 HydrophobicContact CZ-CG1 3.85Å; F80-I158 HydrophobicContact CZ-CG2 4.26Å
81	E	89.3	Confident	74.1	Confident	75 Å²	75	52 Å²	52	35%	0.35	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	125.3	172.5	-177.1	-175.8	-161.1	0	0	110.2	L83 V97 R98 V100	E81-L83 HydrophobicContact CG-CD2 4.18Å; E81-V97 CarbonylContact O-C 3.48Å; E81-V97 WeakPolarHBondContact O-CA 3.26Å; E81-V97 WeakPolarHBondContact O-CB 3.34Å; E81-R98 HydrophobicContact CB-CB 4.44Å; E81-R98 PolarHBondContact N-O 3.21Å; E81-R98 PolarHBondContact O-N 3.38Å; E81-V100 HydrophobicContact CB-CG1 3.89Å
82	L	86.8	Confident	75.8	Confident	50 Å²	50	48.7 Å²	48.7	26%	0.262	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	119.9	176.6	-64.8	163.2	0	0	0	110.9	F95 V97 M111 P378 D380	L82-F95 HydrophobicContact CD2-CB 3.61Å; L82-F95 HydrophobicContact CD2-CD1 3.84Å; L82-F95 HydrophobicContact CD2-CD2 3.98Å; L82-F95 HydrophobicContact CD2-CE1 4.45Å; L82-F95 HydrophobicContact CD2-CG 3.56Å; L82-V97 HydrophobicContact CD2-CG1 3.72Å; L82-M111 HydrophobicContact CD2-SD 4.26Å; L82-P378 HydrophobicContact CB-CB 4.1Å; L82-D380 HydrophobicContact CD1-CB 3.95Å
83	L	80.6	Confident	77.7	Confident	38 Å²	38	49.1 Å²	49.1	20%	0.199	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-50.7	-179	-58.7	-175.3	0	0	0	113	E81 L96 R98 L108 P378	E81-L83 HydrophobicContact CG-CD2 4.18Å; L83-L96 HydrophobicContact CB-CB 4.41Å; L83-L96 HydrophobicContact CB-CD2 4.27Å; L83-L96 HydrophobicContact CB-CG 4.11Å; L83-L96 HydrophobicContact CD1-CD2 4.26Å; L83-L96 HydrophobicContact CD1-CG 4.15Å; L83-L96 PolarHBondContact N-O 3.32Å; L83-R98 HydrophobicContact CD1-CB 4.06Å; L83-R98 HydrophobicContact CD2-CB 4.49Å; L83-R98 HydrophobicContact CG-CB 4.33Å; L83-L108 HydrophobicContact CD1-CD2 3.52Å; L83-P378 WeakPolarHBondContact O-CG 3.37Å
84	K	82.9	Confident	79.4	Confident	43 Å²	43	43.4 Å²	43.4	19%	0.187	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	156.2	-175.4	-67.1	177.1	179.5	168.2	0	111.4	F95 L96 D364 T366	K84-F95 CarbonylContact O-C 3.41Å; K84-F95 VanDerWaalsContact O-CA 3.24Å; K84-F95 WeakPolarHBondContact O-CA 3.4Å; K84-L96 HydrophobicContact CB-CB 4.17Å; K84-L96 HydrophobicContact CD-CD2 4.4Å; K84-L96 PolarHBondContact N-O 3.06Å; K84-L96 PolarHBondContact O-N 3.03Å; K84-D364 PolarHBondContact NZ-O 3.37Å; K84-D364 VanDerWaalsContact NZ-O 3.09Å; K84-T366 HydrophobicContact CD-CG2 3.57Å; K84-T366 WeakPolarHBondContact CD-OG1 3.41Å; K84-T366 PolarHBondContact NZ-OG1 3.01Å
85	V	84.5	Confident	80.6	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	118.8	166.8	-171.6	0	0	0	0	108.1	F95 F373 T374 R376	V85-F95 HydrophobicContact CB-CD1 4.47Å; V85-F95 HydrophobicContact CG2-CD1 3.92Å; V85-F95 HydrophobicContact CG2-CE1 3.8Å; V85-F373 HydrophobicContact CG1-CB 4.29Å; V85-F373 CarbonylContact O-C 3.57Å; V85-F373 WeakPolarHBondContact O-CB 3.43Å; V85-T374 WeakPolarHBondContact O-CA 3.27Å; V85-T374 PolarHBondContact O-N 3.32Å; V85-R376 HydrophobicContact CG2-CB 4.22Å
86	L	82.9	Confident	81.4	Confident	14 Å²	14	36 Å²	36	7%	0.073	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-24.5	179.3	-62.6	179.7	0	0	0	112.3	V94 L96 A110 F161 T366 F369	L86-V94 HydrophobicContact CB-CB 4.49Å; L86-V94 HydrophobicContact CB-CG1 4.22Å; L86-V94 HydrophobicContact CD1-CG1 4.43Å; L86-V94 PolarHBondContact N-O 2.91Å; L86-L96 HydrophobicContact CD1-CB 3.95Å; L86-L96 HydrophobicContact CD2-CB 3.95Å; L86-L96 HydrophobicContact CG-CB 3.92Å; L86-A110 HydrophobicContact CD1-CB 4.39Å; L86-F161 HydrophobicContact CD1-CD2 3.81Å; L86-F161 HydrophobicContact CD1-CE2 3.68Å; L86-F161 HydrophobicContact CD2-CE2 4.06Å; L86-T366 HydrophobicContact CD2-CG2 3.56Å; L86-F369 HydrophobicContact CB-CD1 3.86Å; L86-F369 HydrophobicContact CB-CE1 3.93Å; L86-F369 HydrophobicContact CD1-CE1 3.98Å; L86-F369 HydrophobicContact CD1-CZ 4.25Å; L86-F369 HydrophobicContact CD2-CD1 3.74Å; L86-F369 HydrophobicContact CD2-CD2 4.24Å; L86-F369 HydrophobicContact CD2-CE1 3.84Å; L86-F369 HydrophobicContact CD2-CE2 4.32Å; L86-F369 HydrophobicContact CD2-CG 3.94Å; L86-F369 HydrophobicContact CD2-CZ 4.13Å; L86-F369 HydrophobicContact CG-CD1 4.26Å; L86-F369 HydrophobicContact CG-CE1 4.13Å
87	G	80.6	Confident	81.9	Confident	3 Å²	3	32.7 Å²	32.7	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.3	166.3	177.8	0	0	0	0	0	113.4	V94	G87-V94 PolarHBondContact N-O 2.94Å; G87-V94 PolarHBondContact O-N 2.89Å
88	Q	77	Confident	82.3	Confident	85 Å²	85	34.5 Å²	34.5	40%	0.397	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	129.5	175.6	-178.2	172.1	-20	0	0	110.1	K93 F373	Q88-K93 HydrophobicContact CB-CG 4.42Å; Q88-K93 HydrophobicContact CG-CG 4.06Å; Q88-F373 HydrophobicContact CB-CD1 4.24Å; Q88-F373 HydrophobicContact CB-CE1 3.86Å
89	G	65.8	Low	82.6	Confident	26 Å²	26	30.5 Å²	30.5	27%	0.268	16%	0.161	S	C	.	.			trans	-108.8	-178.4	171.7	0	0	0	0	0	111.8	F91 G92	G89-F91 VanDerWaalsContact C-N 3.27Å; G89-F91 PolarHBondContact O-N 3.11Å; G89-G92 PolarHBondContact N-O 3Å
90	S	57.3	Low	82.7	Confident	57 Å²	57	32.9 Å²	32.9	40%	0.399	18%	0.177	S	C	.	.	S	Bend	trans	-62.4	-29.7	179.7	44.6	0	0	0	0	114.1
91	F	64.4	Low	82.5	Confident	44 Å²	44	34 Å²	34	19%	0.193	18%	0.184	C	C	.	.	S	Bend	trans	-118.7	0	-172.7	-49	-66.9	0	0	0	114	G89 L114 K115 L119	G89-F91 VanDerWaalsContact C-N 3.27Å; G89-F91 PolarHBondContact O-N 3.11Å; F91-L114 HydrophobicContact CB-CD2 4.37Å; F91-L114 WeakPolarHBondContact O-CA 3.43Å; F91-K115 PolarHBondContact O-N 3.32Å; F91-L119 HydrophobicContact CB-CD2 3.83Å; F91-L119 HydrophobicContact CD1-CD2 4.48Å; F91-L119 HydrophobicContact CG-CD2 4.12Å
92	G	74.5	Confident	82.1	Confident	18 Å²	18	34.8 Å²	34.8	19%	0.186	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	173.2	-170.3	0	0	0	0	0	115.4	G89 V113	G89-G92 PolarHBondContact N-O 3Å; G92-V113 CarbonylContact C-O 3.43Å; G92-V113 WeakPolarHBondContact CA-O 3.49Å
93	K	85.3	Confident	81.8	Confident	58 Å²	58	37.6 Å²	37.6	25%	0.252	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	150.3	176.7	-71.1	-178.8	178.7	-178.1	0	109.7	Q88 F95 V113	Q88-K93 HydrophobicContact CB-CG 4.42Å; Q88-K93 HydrophobicContact CG-CG 4.06Å; K93-F95 HydrophobicContact CB-CD2 4.24Å; K93-F95 HydrophobicContact CB-CE2 3.5Å; K93-F95 HydrophobicContact CB-CZ 3.68Å; K93-F95 HydrophobicContact CD-CE1 4.32Å; K93-F95 HydrophobicContact CD-CE2 4.3Å; K93-F95 HydrophobicContact CD-CZ 3.64Å; K93-F95 HydrophobicContact CG-CZ 4.33Å; K93-V113 PolarHBondContact N-O 2.81Å; K93-V113 PolarHBondContact O-N 2.88Å
94	V	89.3	Confident	82.1	Confident	21 Å²	21	36.9 Å²	36.9	13%	0.127	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	127.5	171.9	-173.5	0	0	0	0	108	M1 L86 G87 A110 M111 K112	M1-V94 HydrophobicContact CG-CG2 4.45Å; L86-V94 HydrophobicContact CB-CB 4.49Å; L86-V94 HydrophobicContact CB-CG1 4.22Å; L86-V94 HydrophobicContact CD1-CG1 4.43Å; L86-V94 PolarHBondContact N-O 2.91Å; G87-V94 PolarHBondContact N-O 2.94Å; G87-V94 PolarHBondContact O-N 2.89Å; V94-A110 HydrophobicContact CG1-CB 4.33Å; V94-M111 CarbonylContact C-O 3.53Å; V94-M111 VanDerWaalsContact CA-O 3.31Å; V94-M111 WeakPolarHBondContact CA-O 3.49Å; V94-K112 HydrophobicContact CG2-CB 4.39Å; V94-K112 HydrophobicContact CG2-CG 4.26Å
95	F	89.6	Confident	82.2	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	146.7	-179.8	-58.1	-89.1	0	0	0	110.6	L82 K84 V85 K93 V97 A110 M111 V113 D380	L82-F95 HydrophobicContact CD2-CB 3.61Å; L82-F95 HydrophobicContact CD2-CD1 3.84Å; L82-F95 HydrophobicContact CD2-CD2 3.98Å; L82-F95 HydrophobicContact CD2-CE1 4.45Å; L82-F95 HydrophobicContact CD2-CG 3.56Å; K84-F95 CarbonylContact O-C 3.41Å; K84-F95 VanDerWaalsContact O-CA 3.24Å; K84-F95 WeakPolarHBondContact O-CA 3.4Å; V85-F95 HydrophobicContact CB-CD1 4.47Å; V85-F95 HydrophobicContact CG2-CD1 3.92Å; V85-F95 HydrophobicContact CG2-CE1 3.8Å; K93-F95 HydrophobicContact CB-CD2 4.24Å; K93-F95 HydrophobicContact CB-CE2 3.5Å; K93-F95 HydrophobicContact CB-CZ 3.68Å; K93-F95 HydrophobicContact CD-CE1 4.32Å; K93-F95 HydrophobicContact CD-CE2 4.3Å; K93-F95 HydrophobicContact CD-CZ 3.64Å; K93-F95 HydrophobicContact CG-CZ 4.33Å; F95-V97 HydrophobicContact CB-CG1 4.05Å; F95-A110 CarbonylContact O-C 3.57Å; F95-A110 WeakPolarHBondContact O-CA 3.31Å; F95-M111 HydrophobicContact CB-CB 4.49Å; F95-M111 PolarHBondContact N-O 3.3Å; F95-M111 PolarHBondContact O-N 3.17Å; F95-V113 HydrophobicContact CD2-CG2 3.8Å; F95-V113 HydrophobicContact CE2-CB 4.22Å; F95-V113 HydrophobicContact CE2-CG2 3.8Å; F95-D380 HydrophobicContact CZ-CB 4.49Å
96	L	91.4	Very high	82.2	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	126.8	159.3	176.6	58.1	0	0	0	107.2	L83 K84 L86 L108 F161 D364 T366	L83-L96 HydrophobicContact CB-CB 4.41Å; L83-L96 HydrophobicContact CB-CD2 4.27Å; L83-L96 HydrophobicContact CB-CG 4.11Å; L83-L96 HydrophobicContact CD1-CD2 4.26Å; L83-L96 HydrophobicContact CD1-CG 4.15Å; L83-L96 PolarHBondContact N-O 3.32Å; K84-L96 HydrophobicContact CB-CB 4.17Å; K84-L96 HydrophobicContact CD-CD2 4.4Å; K84-L96 PolarHBondContact N-O 3.06Å; K84-L96 PolarHBondContact O-N 3.03Å; L86-L96 HydrophobicContact CD1-CB 3.95Å; L86-L96 HydrophobicContact CD2-CB 3.95Å; L86-L96 HydrophobicContact CG-CB 3.92Å; L96-L108 HydrophobicContact CD1-CB 4.2Å; L96-L108 HydrophobicContact CD1-CD2 4.3Å; L96-F161 HydrophobicContact CD1-CB 4.41Å; L96-F161 HydrophobicContact CD1-CD1 3.58Å; L96-F161 HydrophobicContact CD1-CD2 3.71Å; L96-F161 HydrophobicContact CD1-CE1 3.61Å; L96-F161 HydrophobicContact CD1-CE2 3.77Å; L96-F161 HydrophobicContact CD1-CG 3.62Å; L96-F161 HydrophobicContact CD1-CZ 3.72Å; L96-F161 HydrophobicContact CD2-CE1 4.2Å; L96-F161 HydrophobicContact CD2-CE2 4.5Å; L96-F161 HydrophobicContact CD2-CZ 3.97Å; L96-F161 HydrophobicContact CG-CZ 4.4Å; L96-D364 HydrophobicContact CD2-CB 4.25Å; L96-T366 HydrophobicContact CD2-CG2 4.02Å
97	V	91.6	Very high	82.5	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152.1	179.5	-60	0	0	0	0	111.7	F80 E81 L82 F95 L108 Y109 M111	F80-V97 HydrophobicContact CB-CB 4.13Å; F80-V97 HydrophobicContact CB-CG2 4.28Å; F80-V97 HydrophobicContact CD1-CB 4.49Å; F80-V97 HydrophobicContact CD1-CG2 3.83Å; F80-V97 HydrophobicContact CG-CG2 4.4Å; E81-V97 CarbonylContact O-C 3.48Å; E81-V97 WeakPolarHBondContact O-CA 3.26Å; E81-V97 WeakPolarHBondContact O-CB 3.34Å; L82-V97 HydrophobicContact CD2-CG1 3.72Å; F95-V97 HydrophobicContact CB-CG1 4.05Å; V97-L108 WeakPolarHBondContact O-CA 3.49Å; V97-Y109 WeakPolarHBondContact CG2-O 3.46Å; V97-Y109 PolarHBondContact N-O 3.43Å; V97-Y109 PolarHBondContact O-N 2.7Å; V97-M111 HydrophobicContact CB-CB 4.4Å; V97-M111 HydrophobicContact CB-CE 4.25Å; V97-M111 HydrophobicContact CG1-CB 3.64Å; V97-M111 HydrophobicContact CG1-CE 3.69Å; V97-M111 HydrophobicContact CG1-CG 4.44Å; V97-M111 HydrophobicContact CG1-SD 4.02Å; V97-M111 HydrophobicContact CG2-CB 3.84Å; V97-M111 HydrophobicContact CG2-CE 4.12Å
98	R	91.4	Very high	83	Confident	67 Å²	67	46.5 Å²	46.5	25%	0.253	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126	170.3	-174.9	-174.4	-57.4	-98	-3.5	108.6	F80 E81 L83 Q107 L108	F80-R98 CarbonylContact C-O 3.53Å; F80-R98 WeakPolarHBondContact CA-O 3.24Å; E81-R98 HydrophobicContact CB-CB 4.44Å; E81-R98 PolarHBondContact N-O 3.21Å; E81-R98 PolarHBondContact O-N 3.38Å; L83-R98 HydrophobicContact CD1-CB 4.06Å; L83-R98 HydrophobicContact CD2-CB 4.49Å; L83-R98 HydrophobicContact CG-CB 4.33Å; R98-Q107 WeakPolarHBondContact CA-O 3.13Å; R98-L108 HydrophobicContact CB-CD2 3.93Å; R98-L108 HydrophobicContact CG-CD2 4.27Å
99	K	91.4	Very high	83.8	Confident	5 Å²	5	42.7 Å²	42.7	2%	0.022	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	133.7	172.9	-164.2	174.8	179.6	-93	0	109.7	Q79 F80 T101 P102 D104 N106 Q107 Y109 Y147	Q79-K99 CarbonylContact O-C 3.57Å; Q79-K99 WeakPolarHBondContact O-CA 3.34Å; F80-K99 HydrophobicContact CD1-CB 4.14Å; F80-K99 HydrophobicContact CD1-CG 4.23Å; F80-K99 HydrophobicContact CE1-CB 4.05Å; F80-K99 HydrophobicContact CE1-CD 4.08Å; F80-K99 HydrophobicContact CE1-CG 3.91Å; F80-K99 HydrophobicContact CZ-CD 4.35Å; F80-K99 HydrophobicContact CZ-CG 4.39Å; K99-T101 PolarHBondContact NZ-O 3.09Å; K99-T101 PolarHBondContact NZ-OG1 3.05Å; K99-P102 VanDerWaalsContact NZ-C 3.34Å; K99-P102 PolarHBondContact NZ-O 3.1Å; K99-D104 WeakPolarHBondContact CD-OD1 3.27Å; K99-D104 WeakPolarHBondContact CD-OD2 3.33Å; K99-D104 WeakPolarHBondContact CE-OD1 3.5Å; K99-D104 IonicContact NZ-OD1 3.7Å; K99-D104 PolarHBondContact NZ-OD1 2.97Å; K99-N106 WeakPolarHBondContact O-CA 3.21Å; K99-N106 PolarHBondContact O-N 3.39Å; K99-Q107 PolarHBondContact N-O 2.78Å; K99-Y109 HydrophobicContact CB-CD2 4.33Å; K99-Y109 HydrophobicContact CB-CE2 4.03Å; K99-Y109 HydrophobicContact CD-CE2 4.28Å; K99-Y147 HydrophobicContact CD-CE2 4.32Å
100	V	89.9	Confident	85.1	Confident	73 Å²	73	42 Å²	42	44%	0.442	24%	0.242	S	C	.	.			trans	-106.5	-10.4	-177	-61	0	0	0	0	113.4	Q79 E81	Q79-V100 WeakPolarHBondContact O-CG2 3.42Å; Q79-V100 PolarHBondContact O-N 3.19Å; E81-V100 HydrophobicContact CB-CG1 3.89Å
101	T	85.9	Confident	86.8	Confident	33 Å²	33	39.5 Å²	39.5	20%	0.202	23%	0.225	C	C	.	.	S	Bend	trans	-106.6	152.3	179	60.5	0	0	0	0	111.9	Q79 K99 A105	Q79-T101 HydrophobicContact CB-CG2 4.13Å; Q79-T101 HydrophobicContact CG-CG2 3.92Å; K99-T101 PolarHBondContact NZ-O 3.09Å; K99-T101 PolarHBondContact NZ-OG1 3.05Å; T101-A105 WeakPolarHBondContact O-CA 3.45Å; T101-A105 PolarHBondContact O-N 3.42Å
102	P	81.6	Confident	88.1	Confident	92 Å²	92	37.9 Å²	37.9	60%	0.597	22%	0.217	S	C	*	.	S	Bend	trans	-59	163.5	170	-22.8	34.6	0	0	0	113.2	K99	K99-P102 VanDerWaalsContact NZ-C 3.34Å; K99-P102 PolarHBondContact NZ-O 3.1Å
103	P	80.8	Confident	88.8	Confident	109 Å²	109	37.3 Å²	37.3	71%	0.708	21%	0.21	S	C	*	.	S	Bend	cis	-78	-27.1	0.9	30.6	-34.6	0	0	0	114.3	A105	P103-A105 PolarHBondContact O-N 2.92Å
104	D	85.3	Confident	88.9	Confident	24 Å²	24	34.9 Å²	34.9	13%	0.128	20%	0.2	C	C	.	.	S	Bend	trans	-98.5	43.1	-174.9	59.5	-45.9	0	0	0	112.5	K99 Q107 Y109 Y147 M404	K99-D104 WeakPolarHBondContact CD-OD1 3.27Å; K99-D104 WeakPolarHBondContact CD-OD2 3.33Å; K99-D104 WeakPolarHBondContact CE-OD1 3.5Å; K99-D104 IonicContact NZ-OD1 3.7Å; K99-D104 PolarHBondContact NZ-OD1 2.97Å; D104-Q107 HydrophobicContact CB-CB 4.2Å; D104-Q107 WeakPolarHBondContact O-CB 3.43Å; D104-Q107 PolarHBondContact O-N 3.17Å; D104-Y109 VanDerWaalsContact OD2-CE2 3.29Å; D104-Y109 WeakPolarHBondContact OD2-CE2 3.5Å; D104-Y109 VanDerWaalsContact OD2-CZ 3.27Å; D104-Y109 PolarHBondContact OD2-OH 3.1Å; D104-Y147 PolarHBondContact OD1-OH 3.45Å; D104-Y147 PolarHBondContact OD2-OH 3.28Å; D104-M404 HydrophobicContact CB-SD 4.31Å
105	A	86	Confident	88.7	Confident	42 Å²	42	37.8 Å²	37.8	35%	0.347	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	142.2	176.4	0	0	0	0	0	111	T101 P103 Q107	T101-A105 WeakPolarHBondContact O-CA 3.45Å; T101-A105 PolarHBondContact O-N 3.42Å; P103-A105 PolarHBondContact O-N 2.92Å; A105-Q107 PolarHBondContact O-N 2.91Å
106	N	83.4	Confident	88.4	Confident	108 Å²	108	37.8 Å²	37.8	58%	0.578	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	70	-2.8	-173.1	-57.4	-58.1	0	0	0	116.7	K99	K99-N106 WeakPolarHBondContact O-CA 3.21Å; K99-N106 PolarHBondContact O-N 3.39Å
107	Q	89.8	Confident	87.6	Confident	102 Å²	102	40.5 Å²	40.5	48%	0.477	23%	0.233	S	C	.	.			trans	-67.1	141.4	175.3	-172.8	57.2	29.6	0	0	111.3	R98 K99 D104 A105 Y109	R98-Q107 WeakPolarHBondContact CA-O 3.13Å; K99-Q107 PolarHBondContact N-O 2.78Å; D104-Q107 HydrophobicContact CB-CB 4.2Å; D104-Q107 WeakPolarHBondContact O-CB 3.43Å; D104-Q107 PolarHBondContact O-N 3.17Å; A105-Q107 PolarHBondContact O-N 2.91Å; Q107-Y109 HydrophobicContact CB-CE2 3.79Å; Q107-Y109 HydrophobicContact CG-CD2 4.47Å; Q107-Y109 HydrophobicContact CG-CE1 3.98Å; Q107-Y109 HydrophobicContact CG-CE2 3.68Å; Q107-Y109 VanDerWaalsContact CG-OH 3.3Å; Q107-Y109 WeakPolarHBondContact CG-OH 3.31Å
108	L	90.8	Very high	87	Confident	13 Å²	13	43.6 Å²	43.6	7%	0.068	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	138.2	179.8	-65.8	176.6	0	0	0	111.5	L83 L96 V97 R98 F161 P363 D364	L83-L108 HydrophobicContact CD1-CD2 3.52Å; L96-L108 HydrophobicContact CD1-CB 4.2Å; L96-L108 HydrophobicContact CD1-CD2 4.3Å; V97-L108 WeakPolarHBondContact O-CA 3.49Å; R98-L108 HydrophobicContact CB-CD2 3.93Å; R98-L108 HydrophobicContact CG-CD2 4.27Å; L108-F161 HydrophobicContact CB-CD1 4.14Å; L108-F161 HydrophobicContact CD1-CD1 4.49Å; L108-P363 HydrophobicContact CD1-CB 3.93Å; L108-P363 WeakPolarHBondContact CD1-O 3.46Å; L108-D364 HydrophobicContact CD1-CB 3.92Å
109	Y	93.9	Very high	86.2	Confident	5 Å²	5	40.7 Å²	40.7	2%	0.02	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	160	-180	-61.7	-73.4	0	0	0	112.5	F80 V97 K99 D104 Q107 H146 Y147 I158 M404	F80-Y109 HydrophobicContact CE1-CD2 4.1Å; V97-Y109 WeakPolarHBondContact CG2-O 3.46Å; V97-Y109 PolarHBondContact N-O 3.43Å; V97-Y109 PolarHBondContact O-N 2.7Å; K99-Y109 HydrophobicContact CB-CD2 4.33Å; K99-Y109 HydrophobicContact CB-CE2 4.03Å; K99-Y109 HydrophobicContact CD-CE2 4.28Å; D104-Y109 VanDerWaalsContact OD2-CE2 3.29Å; D104-Y109 WeakPolarHBondContact OD2-CE2 3.5Å; D104-Y109 VanDerWaalsContact OD2-CZ 3.27Å; D104-Y109 PolarHBondContact OD2-OH 3.1Å; Q107-Y109 HydrophobicContact CB-CE2 3.79Å; Q107-Y109 HydrophobicContact CG-CD2 4.47Å; Q107-Y109 HydrophobicContact CG-CE1 3.98Å; Q107-Y109 HydrophobicContact CG-CE2 3.68Å; Q107-Y109 VanDerWaalsContact CG-OH 3.3Å; Q107-Y109 WeakPolarHBondContact CG-OH 3.31Å; Y109-H146 AromaticContact CD1-CD2 3.83Å; Y109-H146 HydrophobicContact CE1-CB 4.12Å; Y109-H146 AromaticContact CE1-CD2 3.63Å; Y109-H146 AromaticContact CE1-CE1 3.99Å; Y109-H146 AromaticContact CE1-CG 3.61Å; Y109-H146 AromaticContact CE1-ND1 3.89Å; Y109-H146 AromaticContact CE1-NE2 3.87Å; Y109-Y147 HydrophobicContact CE2-CE2 4.37Å; Y109-I158 VanDerWaalsContact CB-CG2 3.45Å; Y109-I158 HydrophobicContact CD1-CG2 3.91Å; Y109-I158 HydrophobicContact CD2-CG2 3.97Å; Y109-I158 HydrophobicContact CG-CG2 3.51Å; Y109-M404 WeakPolarHBondContact OH-CE 3.41Å
110	A	93.6	Very high	85.6	Confident	11 Å²	11	47.8 Å²	47.8	9%	0.091	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	114.5	164.7	0	0	0	0	0	109.6	L86 V94 F95 L159	L86-A110 HydrophobicContact CD1-CB 4.39Å; V94-A110 HydrophobicContact CG1-CB 4.33Å; F95-A110 CarbonylContact O-C 3.57Å; F95-A110 WeakPolarHBondContact O-CA 3.31Å; A110-L159 HydrophobicContact CB-CB 4.45Å; A110-L159 PolarHBondContact N-O 3.25Å; A110-L159 PolarHBondContact O-N 3.44Å
111	M	93.4	Very high	84.8	Confident	5 Å²	5	49.2 Å²	49.2	3%	0.025	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	110.3	176.1	178.6	-171.2	-69.9	0	0	110.5	F80 L82 V94 F95 V97 V113 Y156 L157 I158	F80-M111 HydrophobicContact CB-CE 3.3Å; F80-M111 HydrophobicContact CD1-CE 4.34Å; F80-M111 HydrophobicContact CD2-CE 3.96Å; F80-M111 HydrophobicContact CG-CE 3.62Å; L82-M111 HydrophobicContact CD2-SD 4.26Å; V94-M111 CarbonylContact C-O 3.53Å; V94-M111 VanDerWaalsContact CA-O 3.31Å; V94-M111 WeakPolarHBondContact CA-O 3.49Å; F95-M111 HydrophobicContact CB-CB 4.49Å; F95-M111 PolarHBondContact N-O 3.3Å; F95-M111 PolarHBondContact O-N 3.17Å; V97-M111 HydrophobicContact CB-CB 4.4Å; V97-M111 HydrophobicContact CB-CE 4.25Å; V97-M111 HydrophobicContact CG1-CB 3.64Å; V97-M111 HydrophobicContact CG1-CE 3.69Å; V97-M111 HydrophobicContact CG1-CG 4.44Å; V97-M111 HydrophobicContact CG1-SD 4.02Å; V97-M111 HydrophobicContact CG2-CB 3.84Å; V97-M111 HydrophobicContact CG2-CE 4.12Å; M111-V113 HydrophobicContact CG-CG2 3.7Å; M111-V113 HydrophobicContact SD-CG2 3.74Å; M111-Y156 HydrophobicContact CG-CD1 4.26Å; M111-Y156 HydrophobicContact SD-CD1 3.91Å; M111-Y156 HydrophobicContact SD-CE1 4.23Å; M111-L157 WeakPolarHBondContact CA-O 3.18Å; M111-I158 HydrophobicContact CB-CD1 3.8Å; M111-I158 HydrophobicContact CE-CD1 3.72Å; M111-I158 HydrophobicContact CG-CD1 3.59Å; M111-I158 HydrophobicContact SD-CD1 4.46Å
112	K	91.3	Very high	84.2	Confident	10 Å²	10	53.6 Å²	53.6	4%	0.043	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	117.5	171.2	-173.6	-179.8	-175.2	-173	0	109	V94 L114 E130 Y156 L157 D223	V94-K112 HydrophobicContact CG2-CB 4.39Å; V94-K112 HydrophobicContact CG2-CG 4.26Å; K112-L114 HydrophobicContact CD-CD1 4.48Å; K112-L114 HydrophobicContact CG-CD1 4.21Å; K112-E130 IonicContact NZ-OE1 3.33Å; K112-E130 PolarHBondContact NZ-OE1 2.75Å; K112-E130 IonicContact NZ-OE2 3.86Å; K112-E130 PolarHBondContact NZ-OE2 2.66Å; K112-Y156 WeakPolarHBondContact O-CA 3.26Å; K112-L157 HydrophobicContact CB-CB 4.31Å; K112-L157 HydrophobicContact CD-CD1 4.36Å; K112-L157 PolarHBondContact N-O 3.48Å; K112-L157 PolarHBondContact O-N 3.08Å; K112-D223 IonicContact NZ-OD1 3.26Å
113	V	89.8	Confident	83.9	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.03	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	119.5	-178.6	-173.5	0	0	0	0	109.8	G92 K93 F95 M111 K154 L155 Y156	G92-V113 CarbonylContact C-O 3.43Å; G92-V113 WeakPolarHBondContact CA-O 3.49Å; K93-V113 PolarHBondContact N-O 2.81Å; K93-V113 PolarHBondContact O-N 2.88Å; F95-V113 HydrophobicContact CD2-CG2 3.8Å; F95-V113 HydrophobicContact CE2-CB 4.22Å; F95-V113 HydrophobicContact CE2-CG2 3.8Å; M111-V113 HydrophobicContact CG-CG2 3.7Å; M111-V113 HydrophobicContact SD-CG2 3.74Å; V113-K154 HydrophobicContact CG1-CB 4.5Å; V113-K154 HydrophobicContact CG1-CD 3.91Å; V113-L155 WeakPolarHBondContact CA-O 3.44Å; V113-Y156 HydrophobicContact CB-CD1 4.45Å; V113-Y156 HydrophobicContact CB-CE1 4.37Å; V113-Y156 HydrophobicContact CG1-CD1 4.19Å; V113-Y156 HydrophobicContact CG1-CE1 3.75Å; V113-Y156 HydrophobicContact CG2-CD1 3.75Å; V113-Y156 HydrophobicContact CG2-CE1 3.77Å
114	L	86.7	Confident	83.9	Confident	8 Å²	8	46.9 Å²	46.9	4%	0.042	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.1	178.2	-58.3	115.1	0	0	0	111.3	F91 K112 L119 T127 K154 L155	F91-L114 HydrophobicContact CB-CD2 4.37Å; F91-L114 WeakPolarHBondContact O-CA 3.43Å; K112-L114 HydrophobicContact CD-CD1 4.48Å; K112-L114 HydrophobicContact CG-CD1 4.21Å; L114-L119 HydrophobicContact CB-CD1 4.41Å; L114-L119 HydrophobicContact CD2-CD2 4.32Å; L114-T127 HydrophobicContact CD1-CG2 4Å; L114-K154 CarbonylContact O-C 3.46Å; L114-K154 VanDerWaalsContact O-CA 3.23Å; L114-K154 WeakPolarHBondContact O-CA 3.08Å; L114-K154 WeakPolarHBondContact O-CB 3.26Å; L114-L155 HydrophobicContact CB-CB 4.39Å; L114-L155 HydrophobicContact CD1-CB 4.46Å; L114-L155 PolarHBondContact N-O 2.82Å; L114-L155 PolarHBondContact O-N 3.05Å
115	K	84.3	Confident	83.4	Confident	82 Å²	82	48.4 Å²	48.4	36%	0.357	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	120.6	177	-66.2	179.8	-178.9	-177.1	0	110.3	F91 A117 T118 L119	F91-K115 PolarHBondContact O-N 3.32Å; K115-A117 VanDerWaalsContact C-N 3.31Å; K115-A117 PolarHBondContact O-N 3.08Å; K115-T118 HydrophobicContact CB-CG2 4.2Å; K115-T118 WeakPolarHBondContact CB-OG1 3.4Å; K115-T118 PolarHBondContact O-N 2.98Å; K115-T118 VanDerWaalsContact O-N 3.16Å; K115-T118 PolarHBondContact O-OG1 3.13Å; K115-L119 WeakPolarHBondContact O-CG 3.35Å
116	K	83.4	Confident	83.1	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-61.6	-37.3	-177	-70.3	177.4	173.8	175.8	0	113.1	T118 L119 T151 E152 G153 K154 L155 P386 F394	K116-T118 PolarHBondContact O-N 3.46Å; K116-L119 PolarHBondContact O-N 3.48Å; K116-T151 PolarHBondContact NZ-O 3.2Å; K116-E152 WeakPolarHBondContact CD-O 3.39Å; K116-G153 WeakPolarHBondContact CB-O 3.27Å; K116-G153 PolarHBondContact N-O 2.97Å; K116-K154 WeakPolarHBondContact CE-O 3.28Å; K116-L155 HydrophobicContact CG-CD2 4.46Å; K116-L155 HydrophobicContact CG-CG 4.04Å; K116-P386 HydrophobicContact CB-CB 4.07Å; K116-P386 HydrophobicContact CB-CG 3.78Å; K116-P386 HydrophobicContact CD-CG 3.99Å; K116-F394 HydrophobicContact CD-CD2 4.36Å; K116-F394 HydrophobicContact CG-CE2 4.29Å
117	A	76.4	Confident	82.9	Confident	57 Å²	57	44.2 Å²	44.2	47%	0.471	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-64.5	-26.9	179.4	0	0	0	0	0	113.3	K115	K115-A117 VanDerWaalsContact C-N 3.31Å; K115-A117 PolarHBondContact O-N 3.08Å
118	T	77	Confident	82.5	Confident	65 Å²	65	42.1 Å²	42.1	40%	0.399	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-90.4	-9.6	180	58.7	0	0	0	0	113.2	K115 K116	K115-T118 HydrophobicContact CB-CG2 4.2Å; K115-T118 WeakPolarHBondContact CB-OG1 3.4Å; K115-T118 PolarHBondContact O-N 2.98Å; K115-T118 VanDerWaalsContact O-N 3.16Å; K115-T118 PolarHBondContact O-OG1 3.13Å; K116-T118 PolarHBondContact O-N 3.46Å
119	L	75	Confident	82	Confident	5 Å²	5	45 Å²	45	3%	0.026	23%	0.226	C	C	.	.			trans	-84.2	121	180	-66.3	173.2	0	0	0	110.7	F91 L114 K115 K116 D123 R124 L155 F394	F91-L119 HydrophobicContact CB-CD2 3.83Å; F91-L119 HydrophobicContact CD1-CD2 4.48Å; F91-L119 HydrophobicContact CG-CD2 4.12Å; L114-L119 HydrophobicContact CB-CD1 4.41Å; L114-L119 HydrophobicContact CD2-CD2 4.32Å; K115-L119 WeakPolarHBondContact O-CG 3.35Å; K116-L119 PolarHBondContact O-N 3.48Å; L119-D123 HydrophobicContact CB-CB 4.43Å; L119-D123 HydrophobicContact CD2-CB 3.9Å; L119-R124 HydrophobicContact CB-CG 3.63Å; L119-R124 HydrophobicContact CD1-CG 4.41Å; L119-R124 PolarHBondContact O-NE 3.26Å; L119-R124 PolarHBondContact O-NH2 3.02Å; L119-L155 HydrophobicContact CD1-CD1 3.99Å; L119-F394 HydrophobicContact CD1-CZ 4.32Å
120	K	78.7	Confident	81.6	Confident	155 Å²	155	45.1 Å²	45.1	67%	0.674	23%	0.226	S	C	*	.			trans	-69.6	160.1	168.4	-59	-178.1	180	-178.9	0	109.9	R122 D123 R124	K120-R122 VanDerWaalsContact C-N 3.26Å; K120-R122 PolarHBondContact O-N 2.87Å; K120-R122 VanDerWaalsContact O-N 3.15Å; K120-D123 WeakPolarHBondContact CB-OD2 3.41Å; K120-D123 WeakPolarHBondContact O-CA 3.49Å; K120-D123 PolarHBondContact O-N 2.82Å; K120-R124 WeakPolarHBondContact O-CG 3.28Å; K120-R124 PolarHBondContact O-N 3.28Å
121	V	74.3	Confident	81.4	Confident	103 Å²	103	45.8 Å²	45.8	62%	0.624	23%	0.227	S	C	*	.	H	α-helix	trans	-48.7	-47	-177.5	178	0	0	0	0	112.2	D123 R124 V125	V121-D123 PolarHBondContact O-N 2.66Å; V121-R124 WeakPolarHBondContact O-CB 3.35Å; V121-R124 PolarHBondContact O-N 3.33Å; V121-V125 PolarHBondContact O-N 3.06Å
122	R	73.8	Confident	81	Confident	125 Å²	125	47.9 Å²	47.9	47%	0.472	24%	0.238	S	C	.	.	H	α-helix	trans	-61.6	-39.4	177.6	-170.6	179.4	-178.3	-173.7	0.1	113.3	K120 R124 V125 R126	K120-R122 VanDerWaalsContact C-N 3.26Å; K120-R122 PolarHBondContact O-N 2.87Å; K120-R122 VanDerWaalsContact O-N 3.15Å; R122-R124 VanDerWaalsContact C-N 3.33Å; R122-V125 PolarHBondContact O-N 3.49Å; R122-R126 WeakPolarHBondContact O-CG 3.42Å; R122-R126 PolarHBondContact O-N 3.3Å; R122-R126 VanDerWaalsContact O-N 3.09Å
123	D	75.4	Confident	80.7	Confident	23 Å²	23	47.6 Å²	47.6	12%	0.123	24%	0.237	C	C	.	.	H	α-helix	trans	-72.8	-29.4	-179.6	-56.6	-41.3	0	0	0	111.6	L119 K120 V121 R126 T127	L119-D123 HydrophobicContact CB-CB 4.43Å; L119-D123 HydrophobicContact CD2-CB 3.9Å; K120-D123 WeakPolarHBondContact CB-OD2 3.41Å; K120-D123 WeakPolarHBondContact O-CA 3.49Å; K120-D123 PolarHBondContact O-N 2.82Å; V121-D123 PolarHBondContact O-N 2.66Å; D123-R126 IonicContact OD1-NH1 3.78Å; D123-T127 WeakPolarHBondContact O-CB 3.34Å; D123-T127 PolarHBondContact O-N 3.46Å; D123-T127 PolarHBondContact O-OG1 3.45Å
124	R	78.9	Confident	80.6	Confident	36 Å²	36	47.6 Å²	47.6	14%	0.136	24%	0.237	C	C	.	.	H	α-helix	trans	-65.9	-46	172.8	-60.9	179.9	-176.9	165.8	-4.3	112	L119 K120 V121 R122 R126 T127 K128 A390 L393 F394	L119-R124 HydrophobicContact CB-CG 3.63Å; L119-R124 HydrophobicContact CD1-CG 4.41Å; L119-R124 PolarHBondContact O-NE 3.26Å; L119-R124 PolarHBondContact O-NH2 3.02Å; K120-R124 WeakPolarHBondContact O-CG 3.28Å; K120-R124 PolarHBondContact O-N 3.28Å; V121-R124 WeakPolarHBondContact O-CB 3.35Å; V121-R124 PolarHBondContact O-N 3.33Å; R122-R124 VanDerWaalsContact C-N 3.33Å; R124-R126 VanDerWaalsContact C-N 3.35Å; R124-T127 PolarHBondContact O-N 2.89Å; R124-K128 PolarHBondContact O-N 3.44Å; R124-A390 VanDerWaalsContact CZ-CB 3.41Å; R124-L393 HydrophobicContact CB-CD2 3.49Å; R124-L393 VanDerWaalsContact CB-CD2 3.49Å; R124-L393 HydrophobicContact CG-CD2 4.5Å; R124-F394 HydrophobicContact CB-CE1 4.13Å; R124-F394 HydrophobicContact CB-CE2 4.17Å; R124-F394 HydrophobicContact CB-CZ 3.45Å; R124-F394 VanDerWaalsContact CB-CZ 3.45Å; R124-F394 HydrophobicContact CG-CE2 4Å; R124-F394 HydrophobicContact CG-CZ 3.6Å
125	V	75.9	Confident	80.6	Confident	57 Å²	57	48.5 Å²	48.5	35%	0.345	25%	0.246	S	C	.	.	H	α-helix	trans	-60.8	-46	175.9	176.1	0	0	0	0	110.3	V121 R122 T127 K128 M129 L393	V121-V125 PolarHBondContact O-N 3.06Å; R122-V125 PolarHBondContact O-N 3.49Å; V125-T127 PolarHBondContact O-N 2.91Å; V125-K128 PolarHBondContact O-N 3.42Å; V125-M129 HydrophobicContact CG1-CE 3.98Å; V125-M129 HydrophobicContact CG1-SD 4.02Å; V125-M129 WeakPolarHBondContact O-CG 3.34Å; V125-M129 PolarHBondContact O-N 3.44Å; V125-L393 HydrophobicContact CG2-CD2 4.21Å
126	R	78.6	Confident	80.5	Confident	53 Å²	53	50.5 Å²	50.5	20%	0.2	26%	0.26	C	S	.	.	H	α-helix	trans	-58.4	-44.1	175	-76.4	172.4	169.7	175.3	-12.3	113.3	R122 D123 R124 K128 M129 E130 G225	R122-R126 WeakPolarHBondContact O-CG 3.42Å; R122-R126 PolarHBondContact O-N 3.3Å; R122-R126 VanDerWaalsContact O-N 3.09Å; D123-R126 IonicContact OD1-NH1 3.78Å; R124-R126 VanDerWaalsContact C-N 3.35Å; R126-K128 VanDerWaalsContact C-N 3.3Å; R126-K128 PolarHBondContact O-N 3.05Å; R126-M129 PolarHBondContact O-N 3.24Å; R126-E130 WeakPolarHBondContact O-CB 3.17Å; R126-E130 PolarHBondContact O-N 2.7Å; R126-G225 WeakPolarHBondContact CB-O 3.34Å; R126-G225 WeakPolarHBondContact CG-O 3.47Å
127	T	80.5	Confident	80.7	Confident	8 Å²	8	50.9 Å²	50.9	5%	0.049	26%	0.262	C	S	.	.	H	α-helix	trans	-65.4	-36.3	179.4	-54.9	0	0	0	0	111.6	L114 D123 R124 V125 R131 L155 F397	L114-T127 HydrophobicContact CD1-CG2 4Å; D123-T127 WeakPolarHBondContact O-CB 3.34Å; D123-T127 PolarHBondContact O-N 3.46Å; D123-T127 PolarHBondContact O-OG1 3.45Å; R124-T127 PolarHBondContact O-N 2.89Å; V125-T127 PolarHBondContact O-N 2.91Å; T127-R131 PolarHBondContact O-N 3.28Å; T127-L155 HydrophobicContact CG2-CD1 3.63Å; T127-F397 HydrophobicContact CG2-CE2 4.3Å
128	K	81.4	Confident	81.3	Confident	58 Å²	58	53.3 Å²	53.3	25%	0.252	27%	0.268	S	S	.	.	H	α-helix	trans	-67.2	-48.2	174.9	-171.5	177	-175.4	171.4	0	111.1	R124 V125 R126 E130 R131 D132 L393	R124-K128 PolarHBondContact O-N 3.44Å; V125-K128 PolarHBondContact O-N 3.42Å; R126-K128 VanDerWaalsContact C-N 3.3Å; R126-K128 PolarHBondContact O-N 3.05Å; K128-E130 PolarHBondContact O-N 3.13Å; K128-R131 WeakPolarHBondContact O-CB 3.24Å; K128-R131 PolarHBondContact O-N 3.28Å; K128-R131 VanDerWaalsContact O-N 3.16Å; K128-D132 VanDerWaalsContact O-CG 3.26Å; K128-D132 PolarHBondContact O-N 2.88Å; K128-L393 WeakPolarHBondContact CD-O 3.41Å; K128-L393 PolarHBondContact NZ-O 3.32Å
129	M	80.1	Confident	82.1	Confident	74 Å²	74	51 Å²	51	37%	0.365	25%	0.252	S	S	.	.	H	α-helix	trans	-59.7	-42.1	175.5	-73.8	175.6	166	0	0	112.6	V125 R126 R131 D132 I133	V125-M129 HydrophobicContact CG1-CE 3.98Å; V125-M129 HydrophobicContact CG1-SD 4.02Å; V125-M129 WeakPolarHBondContact O-CG 3.34Å; V125-M129 PolarHBondContact O-N 3.44Å; R126-M129 PolarHBondContact O-N 3.24Å; M129-R131 VanDerWaalsContact C-N 3.28Å; M129-R131 PolarHBondContact O-N 3.19Å; M129-D132 PolarHBondContact O-N 3.45Å; M129-I133 WeakPolarHBondContact O-CB 3.43Å; M129-I133 VanDerWaalsContact O-CG1 3.32Å; M129-I133 WeakPolarHBondContact O-CG1 3.26Å; M129-I133 PolarHBondContact O-N 3.44Å
130	E	86.3	Confident	83.1	Confident	7 Å²	7	52.3 Å²	52.3	3%	0.033	26%	0.261	C	S	.	.	H	α-helix	trans	-55.2	-46.4	174.7	175.4	174	-155.8	0	0	110.7	K112 R126 K128 L134 L157 F224	K112-E130 IonicContact NZ-OE1 3.33Å; K112-E130 PolarHBondContact NZ-OE1 2.75Å; K112-E130 IonicContact NZ-OE2 3.86Å; K112-E130 PolarHBondContact NZ-OE2 2.66Å; R126-E130 WeakPolarHBondContact O-CB 3.17Å; R126-E130 PolarHBondContact O-N 2.7Å; K128-E130 PolarHBondContact O-N 3.13Å; E130-L134 HydrophobicContact CG-CD1 3.93Å; E130-L134 WeakPolarHBondContact O-CB 3.41Å; E130-L134 WeakPolarHBondContact O-CD1 3.46Å; E130-L134 VanDerWaalsContact O-CG 3.25Å; E130-L134 WeakPolarHBondContact O-CG 3.44Å; E130-L134 PolarHBondContact O-N 3.29Å; E130-L157 HydrophobicContact CG-CD1 4.43Å; E130-F224 HydrophobicContact CG-CB 4Å
131	R	87.3	Confident	84	Confident	25 Å²	25	45 Å²	45	9%	0.094	23%	0.229	C	C	.	.	H	α-helix	trans	-66.3	-43.8	178	-173.9	-84.6	-57.8	178.1	5	112.2	T127 K128 M129 A135 L145 A148 L157 G396 F397	T127-R131 PolarHBondContact O-N 3.28Å; K128-R131 WeakPolarHBondContact O-CB 3.24Å; K128-R131 PolarHBondContact O-N 3.28Å; K128-R131 VanDerWaalsContact O-N 3.16Å; M129-R131 VanDerWaalsContact C-N 3.28Å; M129-R131 PolarHBondContact O-N 3.19Å; R131-A135 WeakPolarHBondContact O-CB 3.46Å; R131-A135 PolarHBondContact O-N 3.32Å; R131-A135 VanDerWaalsContact O-N 3.08Å; R131-L145 HydrophobicContact CG-CD2 4.12Å; R131-A148 HydrophobicContact CG-CB 3.69Å; R131-L157 HydrophobicContact CB-CD2 3.94Å; R131-L157 HydrophobicContact CG-CD2 3.72Å; R131-G396 VanDerWaalsContact CZ-O 3.26Å; R131-G396 PolarHBondContact NH1-O 3.16Å; R131-G396 VanDerWaalsContact NH1-O 3.13Å; R131-G396 PolarHBondContact NH2-O 2.91Å; R131-G396 VanDerWaalsContact NH2-O 3.15Å; R131-F397 HydrophobicContact CB-CD2 4.44Å; R131-F397 HydrophobicContact CB-CE2 3.84Å; R131-F397 HydrophobicContact CB-CZ 4.23Å; R131-F397 HydrophobicContact CG-CD2 4.31Å; R131-F397 HydrophobicContact CG-CE2 3.96Å; R131-F397 HydrophobicContact CG-CZ 4.1Å
132	D	84.9	Confident	85	Confident	50 Å²	50	40.2 Å²	40.2	27%	0.267	20%	0.2	S	C	.	.	H	α-helix	trans	-63	-49.8	-179.9	-65.9	-28.7	0	0	0	110.5	K128 M129 L134 A135 D136	K128-D132 VanDerWaalsContact O-CG 3.26Å; K128-D132 PolarHBondContact O-N 2.88Å; M129-D132 PolarHBondContact O-N 3.45Å; D132-L134 PolarHBondContact O-N 3.48Å; D132-A135 WeakPolarHBondContact O-CB 3.19Å; D132-A135 PolarHBondContact O-N 3.49Å; D132-A135 VanDerWaalsContact O-N 3.12Å; D132-D136 PolarHBondContact O-N 3.33Å
133	I	86.1	Confident	85.9	Confident	4 Å²	4	34.5 Å²	34.5	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-56.7	-49.2	176.2	-71.8	167.9	0	0	0	111.3	M129 A135 D136 V137 I201 F224 C227	M129-I133 WeakPolarHBondContact O-CB 3.43Å; M129-I133 VanDerWaalsContact O-CG1 3.32Å; M129-I133 WeakPolarHBondContact O-CG1 3.26Å; M129-I133 PolarHBondContact O-N 3.44Å; I133-A135 PolarHBondContact O-N 3.16Å; I133-D136 PolarHBondContact O-N 2.9Å; I133-V137 HydrophobicContact CG2-CG2 4.06Å; I133-V137 VanDerWaalsContact O-CG2 3.26Å; I133-V137 WeakPolarHBondContact O-CG2 3.37Å; I133-V137 PolarHBondContact O-N 3.24Å; I133-V137 VanDerWaalsContact O-N 3.1Å; I133-I201 HydrophobicContact CD1-CG2 4.24Å; I133-I201 HydrophobicContact CG1-CD1 4.36Å; I133-I201 HydrophobicContact CG2-CD1 3.88Å; I133-I201 HydrophobicContact CG2-CG2 4.39Å; I133-F224 HydrophobicContact CG2-CD1 3.72Å; I133-F224 HydrophobicContact CG2-CE1 4.33Å; I133-F224 HydrophobicContact CG2-CG 4.48Å; I133-C227 HydrophobicContact CD1-CB 3.6Å
134	L	87.4	Confident	86.7	Confident	5 Å²	5	35.4 Å²	35.4	3%	0.026	18%	0.182	C	C	.	.	H	α-helix	trans	-68.5	-19.2	-178.1	-75	171.3	0	0	0	113.7	E130 D132 V143 L145 L159 F224	E130-L134 HydrophobicContact CG-CD1 3.93Å; E130-L134 WeakPolarHBondContact O-CB 3.41Å; E130-L134 WeakPolarHBondContact O-CD1 3.46Å; E130-L134 VanDerWaalsContact O-CG 3.25Å; E130-L134 WeakPolarHBondContact O-CG 3.44Å; E130-L134 PolarHBondContact O-N 3.29Å; D132-L134 PolarHBondContact O-N 3.48Å; L134-V143 HydrophobicContact CD2-CG1 3.79Å; L134-L145 HydrophobicContact CB-CB 3.77Å; L134-L145 HydrophobicContact CB-CD2 4Å; L134-L145 HydrophobicContact CB-CG 4.47Å; L134-L159 HydrophobicContact CD1-CD2 4Å; L134-F224 HydrophobicContact CD2-CD2 3.6Å; L134-F224 HydrophobicContact CD2-CE2 3.87Å; L134-F224 HydrophobicContact CD2-CG 4.02Å; L134-F224 HydrophobicContact CD2-CZ 4.5Å; L134-F224 HydrophobicContact CG-CB 4.32Å; L134-F224 HydrophobicContact CG-CD2 4.2Å; L134-F224 HydrophobicContact CG-CG 4.24Å
135	A	86	Confident	87.4	Confident	27 Å²	27	33.8 Å²	33.8	22%	0.223	18%	0.176	C	C	.	.	H	α-helix	trans	-75.2	-30.1	174.7	0	0	0	0	0	112.1	R131 D132 I133 F399	R131-A135 WeakPolarHBondContact O-CB 3.46Å; R131-A135 PolarHBondContact O-N 3.32Å; R131-A135 VanDerWaalsContact O-N 3.08Å; D132-A135 WeakPolarHBondContact O-CB 3.19Å; D132-A135 PolarHBondContact O-N 3.49Å; D132-A135 VanDerWaalsContact O-N 3.12Å; I133-A135 PolarHBondContact O-N 3.16Å; A135-F399 HydrophobicContact CB-CD2 4.01Å; A135-F399 HydrophobicContact CB-CE1 4.34Å; A135-F399 HydrophobicContact CB-CE2 3.74Å; A135-F399 HydrophobicContact CB-CG 4.41Å; A135-F399 HydrophobicContact CB-CZ 3.91Å
136	D	83.8	Confident	88.1	Confident	124 Å²	124	31.9 Å²	31.9	66%	0.663	16%	0.163	S	C	*	.	H	α-helix	trans	-97.7	-17.3	-175.4	-65.6	-22.1	0	0	0	113.4	D132 I133	D132-D136 PolarHBondContact O-N 3.33Å; I133-D136 PolarHBondContact O-N 2.9Å
137	V	87.3	Confident	88.7	Confident	8 Å²	8	30 Å²	30	5%	0.048	16%	0.156	C	C	.	.			trans	-88.5	123.6	179.9	175	0	0	0	0	111.4	I133 V142 L196 L199 I201	I133-V137 HydrophobicContact CG2-CG2 4.06Å; I133-V137 VanDerWaalsContact O-CG2 3.26Å; I133-V137 WeakPolarHBondContact O-CG2 3.37Å; I133-V137 PolarHBondContact O-N 3.24Å; I133-V137 VanDerWaalsContact O-N 3.1Å; V137-V142 HydrophobicContact CG1-CB 3.98Å; V137-V142 HydrophobicContact CG1-CG1 3.61Å; V137-V142 HydrophobicContact CG1-CG2 4.22Å; V137-L196 HydrophobicContact CG1-CD2 4.03Å; V137-L196 HydrophobicContact CG2-CD2 3.71Å; V137-L199 HydrophobicContact CG2-CD1 3.92Å; V137-I201 HydrophobicContact CG2-CD1 3.97Å
138	N	88.2	Confident	89.1	Confident	108 Å²	108	29.6 Å²	29.6	58%	0.578	15%	0.154	S	C	*	.			trans	-133.5	100.3	172.5	-175.4	28.9	0	0	0	110.6
139	H	94.3	Very high	89.5	Confident	16 Å²	16	27 Å²	27	7%	0.074	14%	0.142	C	C	.	.			trans	-150	140.9	-176	-170.8	-90.5	0	0	0	111.1	F141 V142 L191 G192 H195 F348	H139-F141 AromaticContact CE1-CD2 3.67Å; H139-F141 PolarHBondContact ND1-N 2.95Å; H139-F141 PolarHBondContact O-N 3.01Å; H139-F141 VanDerWaalsContact O-N 3.14Å; H139-V142 HydrophobicContact CB-CB 4.21Å; H139-V142 HydrophobicContact CB-CG2 4.08Å; H139-V142 PolarHBondContact O-N 3.09Å; H139-V142 VanDerWaalsContact O-N 3.08Å; H139-L191 VanDerWaalsContact CE1-C 3.46Å; H139-L191 PolarHBondContact CE1-O 3.39Å; H139-L191 PolarHBondContact NE2-O 3.28Å; H139-G192 PolarHBondContact CE1-N 3.49Å; H139-H195 AromaticContact CD2-CG 3.7Å; H139-F348 AromaticContact CD2-CE2 3.74Å; H139-F348 AromaticContact NE2-CD2 3.81Å; H139-F348 AromaticContact NE2-CE2 3.42Å; H139-F348 WeakPolarHBondContact NE2-CE2 3Å
140	P	95.7	Very high	89.8	Confident	33 Å²	33	25.8 Å²	25.8	21%	0.214	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-35.3	-175.6	19.2	-32.9	0	0	0	113.8	K220 F348 R350	P140-K220 VanDerWaalsContact O-CE 3.28Å; P140-K220 WeakPolarHBondContact O-CE 3.34Å; P140-F348 HydrophobicContact CG-CD2 4.08Å; P140-F348 HydrophobicContact CG-CE2 3.96Å; P140-F348 HydrophobicContact CG-CZ 4.37Å; P140-R350 HydrophobicContact CB-CG 4.49Å
141	F	96.9	Very high	89.6	Confident	1 Å²	1	27.9 Å²	27.9	0%	0.004	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	18.5	-178	-51.1	-53.5	0	0	0	114.3	H139 E188 L191 H218 I219 K220 L221 L347 R350	H139-F141 AromaticContact CE1-CD2 3.67Å; H139-F141 PolarHBondContact ND1-N 2.95Å; H139-F141 PolarHBondContact O-N 3.01Å; H139-F141 VanDerWaalsContact O-N 3.14Å; F141-E188 HydrophobicContact CD1-CB 4Å; F141-E188 HydrophobicContact CD1-CG 4.24Å; F141-E188 HydrophobicContact CD2-CB 4.02Å; F141-E188 WeakPolarHBondContact CD2-O 3.28Å; F141-E188 HydrophobicContact CE1-CB 4.02Å; F141-E188 VanDerWaalsContact CE1-CD 3.41Å; F141-E188 HydrophobicContact CE1-CG 3.76Å; F141-E188 WeakPolarHBondContact CE1-OE1 3.39Å; F141-E188 HydrophobicContact CE2-CB 4.08Å; F141-E188 HydrophobicContact CE2-CG 4.11Å; F141-E188 HydrophobicContact CG-CB 4Å; F141-E188 HydrophobicContact CZ-CB 4.06Å; F141-E188 HydrophobicContact CZ-CG 3.69Å; F141-L191 HydrophobicContact CD2-CB 3.96Å; F141-L191 HydrophobicContact CD2-CD1 4.26Å; F141-L191 HydrophobicContact CE2-CB 4.25Å; F141-L191 HydrophobicContact CE2-CD1 3.69Å; F141-H218 HydrophobicContact CE1-CB 4.19Å; F141-I219 WeakPolarHBondContact CA-O 3.48Å; F141-I219 WeakPolarHBondContact CD1-O 3.46Å; F141-K220 WeakPolarHBondContact O-CA 3.42Å; F141-L221 PolarHBondContact O-N 3.38Å; F141-L347 HydrophobicContact CZ-CG 4.39Å; F141-L347 VanDerWaalsContact CZ-O 3.32Å; F141-L347 WeakPolarHBondContact CZ-O 3.5Å; F141-R350 HydrophobicContact CE1-CG 4.22Å; F141-R350 HydrophobicContact CZ-CG 4.38Å
142	V	95.4	Very high	89.2	Confident	3 Å²	3	33.2 Å²	33.2	2%	0.018	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-123.8	139.7	171.9	177.2	0	0	0	0	109.1	V137 H139 K144 L221 F224	V137-V142 HydrophobicContact CG1-CB 3.98Å; V137-V142 HydrophobicContact CG1-CG1 3.61Å; V137-V142 HydrophobicContact CG1-CG2 4.22Å; H139-V142 HydrophobicContact CB-CB 4.21Å; H139-V142 HydrophobicContact CB-CG2 4.08Å; H139-V142 PolarHBondContact O-N 3.09Å; H139-V142 VanDerWaalsContact O-N 3.08Å; V142-K144 PolarHBondContact O-N 3.36Å; V142-L221 HydrophobicContact CG2-CB 4.46Å; V142-F224 HydrophobicContact CG1-CE1 4.27Å; V142-F224 HydrophobicContact CG1-CE2 3.83Å; V142-F224 HydrophobicContact CG1-CZ 3.36Å
143	V	93.9	Very high	88.9	Confident	4 Å²	4	31 Å²	31	2%	0.024	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-59.6	133.3	176.9	72.5	0	0	0	0	110.7	L134 L159 D160 L162 L221 F224	L134-V143 HydrophobicContact CD2-CG1 3.79Å; V143-L159 HydrophobicContact CG2-CB 4.11Å; V143-D160 HydrophobicContact CG2-CB 3.98Å; V143-L162 HydrophobicContact CG2-CD1 4.39Å; V143-L221 WeakPolarHBondContact CB-O 3.36Å; V143-L221 WeakPolarHBondContact CG1-O 3.38Å; V143-L221 PolarHBondContact N-O 2.72Å; V143-F224 HydrophobicContact CG1-CD2 4.31Å; V143-F224 HydrophobicContact CG1-CE2 3.97Å
144	K	92.5	Very high	88.9	Confident	42 Å²	42	31.3 Å²	31.3	18%	0.183	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-87.9	138.4	177.4	-171.1	170.1	179.8	173.7	0	111.5	V142 L159 D160 T403	V142-K144 PolarHBondContact O-N 3.36Å; K144-L159 VanDerWaalsContact O-CA 3.31Å; K144-L159 WeakPolarHBondContact O-CA 3.44Å; K144-D160 WeakPolarHBondContact CB-OD2 3.09Å; K144-D160 PolarHBondContact N-OD2 3.35Å; K144-D160 PolarHBondContact O-N 2.85Å; K144-T403 WeakPolarHBondContact CE-OG1 3.4Å; K144-T403 PolarHBondContact NZ-OG1 2.64Å
145	L	92.9	Very high	88.9	Confident	3 Å²	3	31 Å²	31	2%	0.016	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	119.6	165.4	177.4	72	0	0	0	109.5	R131 L134 Y147 A148 L157 L159 F399	R131-L145 HydrophobicContact CG-CD2 4.12Å; L134-L145 HydrophobicContact CB-CB 3.77Å; L134-L145 HydrophobicContact CB-CD2 4Å; L134-L145 HydrophobicContact CB-CG 4.47Å; L145-Y147 VanDerWaalsContact CD1-O 3.29Å; L145-Y147 WeakPolarHBondContact CD1-O 3.39Å; L145-A148 HydrophobicContact CD1-CB 4.49Å; L145-A148 HydrophobicContact CD2-CB 4.38Å; L145-L157 HydrophobicContact CD1-CB 4.05Å; L145-L157 HydrophobicContact CD1-CD2 3.87Å; L145-L159 HydrophobicContact CB-CD2 4.16Å; L145-L159 HydrophobicContact CD1-CD2 3.81Å; L145-F399 HydrophobicContact CD2-CD1 3.85Å; L145-F399 HydrophobicContact CD2-CE1 4.16Å; L145-F399 HydrophobicContact CG-CD1 4.09Å; L145-F399 HydrophobicContact CG-CE1 4.22Å
146	H	90.8	Very high	89.1	Confident	16 Å²	16	30.1 Å²	30.1	7%	0.074	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	-44.6	-179.9	-65.4	-87.8	0	0	0	111.4	Y109 I158 D160 A401 M404	Y109-H146 AromaticContact CD1-CD2 3.83Å; Y109-H146 HydrophobicContact CE1-CB 4.12Å; Y109-H146 AromaticContact CE1-CD2 3.63Å; Y109-H146 AromaticContact CE1-CE1 3.99Å; Y109-H146 AromaticContact CE1-CG 3.61Å; Y109-H146 AromaticContact CE1-ND1 3.89Å; Y109-H146 AromaticContact CE1-NE2 3.87Å; H146-I158 PolarHBondContact N-O 3.18Å; H146-D160 IonicContact CD2-OD1 2.89Å; H146-D160 IonicContact CE1-OD1 2.7Å; H146-D160 IonicContact NE2-OD1 2.72Å; H146-D160 PolarHBondContact NE2-OD1 3.04Å; H146-A401 PolarHBondContact O-N 3.39Å; H146-M404 WeakPolarHBondContact ND1-CE 3.44Å
147	Y	90.9	Very high	89.4	Confident	13 Å²	13	24.2 Å²	24.2	5%	0.051	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	144.3	179.4	-48	-92.4	0	0	0	110.5	A75 F80 K99 D104 Y109 L145 I158 F399 V400	A75-Y147 HydrophobicContact CB-CD1 4.18Å; F80-Y147 HydrophobicContact CE1-CD2 4.37Å; F80-Y147 AromaticContact CZ-CD2 3.88Å; F80-Y147 HydrophobicContact CZ-CD2 3.88Å; F80-Y147 HydrophobicContact CZ-CE2 4.26Å; F80-Y147 HydrophobicContact CZ-CG 4.22Å; K99-Y147 HydrophobicContact CD-CE2 4.32Å; D104-Y147 PolarHBondContact OD1-OH 3.45Å; D104-Y147 PolarHBondContact OD2-OH 3.28Å; Y109-Y147 HydrophobicContact CE2-CE2 4.37Å; L145-Y147 VanDerWaalsContact CD1-O 3.29Å; L145-Y147 WeakPolarHBondContact CD1-O 3.39Å; Y147-I158 HydrophobicContact CD2-CB 3.84Å; Y147-I158 HydrophobicContact CD2-CG1 4.2Å; Y147-I158 HydrophobicContact CD2-CG2 3.77Å; Y147-I158 HydrophobicContact CG-CB 4.35Å; Y147-I158 HydrophobicContact CG-CG1 4.39Å; Y147-I158 PolarHBondContact N-O 2.95Å; Y147-I158 PolarHBondContact O-N 2.96Å; Y147-F399 WeakPolarHBondContact CA-O 3.38Å; Y147-V400 HydrophobicContact CD1-CB 4.42Å; Y147-V400 HydrophobicContact CD1-CG1 3.99Å; Y147-V400 HydrophobicContact CD1-CG2 4.14Å; Y147-V400 HydrophobicContact CE1-CG1 3.8Å
148	A	89.3	Confident	89.7	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	139.1	161.6	0	0	0	0	0	109	R131 L145 Y156 L157 F397 S398 F399	R131-A148 HydrophobicContact CG-CB 3.69Å; L145-A148 HydrophobicContact CD1-CB 4.49Å; L145-A148 HydrophobicContact CD2-CB 4.38Å; A148-Y156 WeakPolarHBondContact CA-O 3.43Å; A148-L157 HydrophobicContact CB-CD2 3.74Å; A148-F397 HydrophobicContact CB-CD1 4.27Å; A148-F397 HydrophobicContact CB-CE1 3.99Å; A148-F397 WeakPolarHBondContact CB-O 3.46Å; A148-S398 CarbonylContact O-C 3.5Å; A148-S398 WeakPolarHBondContact O-CA 3.3Å; A148-F399 HydrophobicContact CB-CB 3.98Å; A148-F399 PolarHBondContact N-O 3.16Å; A148-F399 PolarHBondContact O-N 2.9Å
149	F	89.5	Confident	90	Very high	3 Å²	3	19.1 Å²	19.1	1%	0.013	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	173.2	175	59.8	-89.6	0	0	0	110.7	A75 A77 F80 Y156 I158 F397	A75-F149 HydrophobicContact CB-CB 4.21Å; A75-F149 HydrophobicContact CB-CD1 3.75Å; A75-F149 HydrophobicContact CB-CE1 4.49Å; A75-F149 HydrophobicContact CB-CG 4.22Å; A75-F149 WeakPolarHBondContact O-CB 3.21Å; A77-F149 HydrophobicContact CB-CE2 3.95Å; A77-F149 HydrophobicContact CB-CZ 4.32Å; A77-F149 VanDerWaalsContact N-CE2 3.28Å; F80-F149 HydrophobicContact CD2-CE1 4.24Å; F80-F149 HydrophobicContact CD2-CZ 4.22Å; F80-F149 AromaticContact CE2-CE1 3.76Å; F80-F149 HydrophobicContact CE2-CE1 3.76Å; F80-F149 HydrophobicContact CE2-CZ 4.2Å; F149-Y156 AromaticContact CD2-CD2 3.64Å; F149-Y156 HydrophobicContact CD2-CD2 3.64Å; F149-Y156 HydrophobicContact CD2-CE2 4.44Å; F149-Y156 AromaticContact CD2-CG 3.78Å; F149-Y156 HydrophobicContact CD2-CG 3.78Å; F149-Y156 HydrophobicContact CE1-CG 4.41Å; F149-Y156 VanDerWaalsContact CE2-CB 3.46Å; F149-Y156 AromaticContact CE2-CD1 3.71Å; F149-Y156 HydrophobicContact CE2-CD1 3.71Å; F149-Y156 AromaticContact CE2-CD2 3.42Å; F149-Y156 HydrophobicContact CE2-CD2 3.42Å; F149-Y156 VanDerWaalsContact CE2-CD2 3.42Å; F149-Y156 HydrophobicContact CE2-CE1 4.3Å; F149-Y156 HydrophobicContact CE2-CE2 4.05Å; F149-Y156 AromaticContact CE2-CG 3.23Å; F149-Y156 HydrophobicContact CE2-CG 3.23Å; F149-Y156 VanDerWaalsContact CZ-CB 3.49Å; F149-Y156 AromaticContact CZ-CD1 3.82Å; F149-Y156 HydrophobicContact CZ-CD1 3.82Å; F149-Y156 HydrophobicContact CZ-CD2 4.26Å; F149-Y156 AromaticContact CZ-CG 3.61Å; F149-Y156 HydrophobicContact CZ-CG 3.61Å; F149-Y156 PolarHBondContact N-O 2.78Å; F149-Y156 PolarHBondContact O-N 2.88Å; F149-I158 HydrophobicContact CE1-CD1 3.97Å; F149-I158 HydrophobicContact CE1-CG1 3.85Å; F149-I158 HydrophobicContact CZ-CD1 4.43Å; F149-F397 WeakPolarHBondContact O-CE1 3.45Å
150	Q	85.7	Confident	89.9	Confident	49 Å²	49	19.7 Å²	19.7	23%	0.229	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	152	-176.2	63.7	179.9	-39.1	0	0	111.5	K154 L155 F394 F397	Q150-K154 WeakPolarHBondContact CA-O 3.41Å; Q150-K154 WeakPolarHBondContact CB-O 3.44Å; Q150-L155 HydrophobicContact CB-CD2 3.74Å; Q150-F394 PolarHBondContact NE2-O 3.4Å; Q150-F397 HydrophobicContact CB-CD1 4.25Å
151	T	83.6	Confident	89.7	Confident	52 Å²	52	19 Å²	19	32%	0.319	9%	0.093	S	C	.	.			trans	-111.6	-178.1	165.9	62.4	0	0	0	0	109.2	K116 G153 K154 Y156	K116-T151 PolarHBondContact NZ-O 3.2Å; T151-G153 PolarHBondContact O-N 3.38Å; T151-K154 PolarHBondContact N-O 3.32Å; T151-K154 PolarHBondContact OG1-N 3.33Å; T151-Y156 HydrophobicContact CG2-CE2 3.79Å
152	E	78.1	Confident	89.4	Confident	137 Å²	137	19.4 Å²	19.4	64%	0.64	10%	0.095	S	C	*	.	S	Bend	trans	-55.4	-41.6	175.8	-66.5	-172	165.7	0	0	112.1	K116 P385 P386	K116-E152 WeakPolarHBondContact CD-O 3.39Å; E152-P385 HydrophobicContact CB-CB 4.38Å; E152-P385 HydrophobicContact CB-CG 4.23Å; E152-P386 WeakPolarHBondContact O-CD 3.3Å
153	G	78.4	Confident	88.9	Confident	3 Å²	3	21.4 Å²	21.4	3%	0.031	10%	0.102	C	C	.	.	S	Bend	trans	-101.6	-10.1	-175	0	0	0	0	0	116.4	K116 T151	K116-G153 WeakPolarHBondContact CB-O 3.27Å; K116-G153 PolarHBondContact N-O 2.97Å; T151-G153 PolarHBondContact O-N 3.38Å
154	K	85.9	Confident	88.2	Confident	10 Å²	10	21.4 Å²	21.4	4%	0.043	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	161.1	-168	-63.1	171.9	-177.3	175.7	0	114.6	V113 L114 K116 Q150 T151 Y156 D380 S381	V113-K154 HydrophobicContact CG1-CB 4.5Å; V113-K154 HydrophobicContact CG1-CD 3.91Å; L114-K154 CarbonylContact O-C 3.46Å; L114-K154 VanDerWaalsContact O-CA 3.23Å; L114-K154 WeakPolarHBondContact O-CA 3.08Å; L114-K154 WeakPolarHBondContact O-CB 3.26Å; K116-K154 WeakPolarHBondContact CE-O 3.28Å; Q150-K154 WeakPolarHBondContact CA-O 3.41Å; Q150-K154 WeakPolarHBondContact CB-O 3.44Å; T151-K154 PolarHBondContact N-O 3.32Å; T151-K154 PolarHBondContact OG1-N 3.33Å; K154-Y156 HydrophobicContact CB-CD2 4.38Å; K154-Y156 HydrophobicContact CB-CE2 3.6Å; K154-Y156 HydrophobicContact CD-CE2 4.34Å; K154-Y156 WeakPolarHBondContact CD-OH 3.23Å; K154-D380 IonicContact NZ-OD1 3.61Å; K154-D380 PolarHBondContact NZ-OD1 3.45Å; K154-D380 IonicContact NZ-OD2 3.64Å; K154-D380 PolarHBondContact NZ-OD2 3.35Å; K154-S381 WeakPolarHBondContact CE-O 3.42Å; K154-S381 PolarHBondContact NZ-O 2.94Å
155	L	87.6	Confident	87.9	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	143.4	171.3	-58.1	170.4	0	0	0	109.2	V113 L114 K116 L119 T127 Q150 F394 F397	V113-L155 WeakPolarHBondContact CA-O 3.44Å; L114-L155 HydrophobicContact CB-CB 4.39Å; L114-L155 HydrophobicContact CD1-CB 4.46Å; L114-L155 PolarHBondContact N-O 2.82Å; L114-L155 PolarHBondContact O-N 3.05Å; K116-L155 HydrophobicContact CG-CD2 4.46Å; K116-L155 HydrophobicContact CG-CG 4.04Å; L119-L155 HydrophobicContact CD1-CD1 3.99Å; T127-L155 HydrophobicContact CG2-CD1 3.63Å; Q150-L155 HydrophobicContact CB-CD2 3.74Å; L155-F394 HydrophobicContact CD1-CD1 3.87Å; L155-F394 HydrophobicContact CD1-CE1 3.41Å; L155-F394 VanDerWaalsContact CD1-CE1 3.41Å; L155-F394 HydrophobicContact CD1-CE2 4.24Å; L155-F394 HydrophobicContact CD1-CG 4.46Å; L155-F394 HydrophobicContact CD1-CZ 3.59Å; L155-F394 HydrophobicContact CD2-CB 4.34Å; L155-F394 HydrophobicContact CD2-CD1 3.96Å; L155-F394 HydrophobicContact CD2-CD2 4.45Å; L155-F394 HydrophobicContact CD2-CE1 4.36Å; L155-F394 HydrophobicContact CD2-CG 4.01Å; L155-F394 HydrophobicContact CG-CE1 4.48Å; L155-F397 HydrophobicContact CB-CE1 4.01Å; L155-F397 HydrophobicContact CB-CZ 3.91Å; L155-F397 HydrophobicContact CD1-CE2 4.28Å; L155-F397 HydrophobicContact CD1-CZ 4.36Å; L155-F397 HydrophobicContact CD2-CD1 3.95Å; L155-F397 HydrophobicContact CD2-CD2 4.14Å; L155-F397 HydrophobicContact CD2-CE1 3.96Å; L155-F397 HydrophobicContact CD2-CE2 4.16Å; L155-F397 HydrophobicContact CD2-CG 4.04Å; L155-F397 HydrophobicContact CD2-CZ 4.06Å; L155-F397 HydrophobicContact CG-CZ 4.33Å
156	Y	89.9	Confident	87.5	Confident	7 Å²	7	20.9 Å²	20.9	3%	0.027	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	128.4	-176.8	-62.4	-99.2	0	0	0	109.6	A77 M111 K112 V113 A148 F149 T151 K154 D380	A77-Y156 HydrophobicContact CB-CE1 4.21Å; M111-Y156 HydrophobicContact CG-CD1 4.26Å; M111-Y156 HydrophobicContact SD-CD1 3.91Å; M111-Y156 HydrophobicContact SD-CE1 4.23Å; K112-Y156 WeakPolarHBondContact O-CA 3.26Å; V113-Y156 HydrophobicContact CB-CD1 4.45Å; V113-Y156 HydrophobicContact CB-CE1 4.37Å; V113-Y156 HydrophobicContact CG1-CD1 4.19Å; V113-Y156 HydrophobicContact CG1-CE1 3.75Å; V113-Y156 HydrophobicContact CG2-CD1 3.75Å; V113-Y156 HydrophobicContact CG2-CE1 3.77Å; A148-Y156 WeakPolarHBondContact CA-O 3.43Å; F149-Y156 AromaticContact CD2-CD2 3.64Å; F149-Y156 HydrophobicContact CD2-CD2 3.64Å; F149-Y156 HydrophobicContact CD2-CE2 4.44Å; F149-Y156 AromaticContact CD2-CG 3.78Å; F149-Y156 HydrophobicContact CD2-CG 3.78Å; F149-Y156 HydrophobicContact CE1-CG 4.41Å; F149-Y156 VanDerWaalsContact CE2-CB 3.46Å; F149-Y156 AromaticContact CE2-CD1 3.71Å; F149-Y156 HydrophobicContact CE2-CD1 3.71Å; F149-Y156 AromaticContact CE2-CD2 3.42Å; F149-Y156 HydrophobicContact CE2-CD2 3.42Å; F149-Y156 VanDerWaalsContact CE2-CD2 3.42Å; F149-Y156 HydrophobicContact CE2-CE1 4.3Å; F149-Y156 HydrophobicContact CE2-CE2 4.05Å; F149-Y156 AromaticContact CE2-CG 3.23Å; F149-Y156 HydrophobicContact CE2-CG 3.23Å; F149-Y156 VanDerWaalsContact CZ-CB 3.49Å; F149-Y156 AromaticContact CZ-CD1 3.82Å; F149-Y156 HydrophobicContact CZ-CD1 3.82Å; F149-Y156 HydrophobicContact CZ-CD2 4.26Å; F149-Y156 AromaticContact CZ-CG 3.61Å; F149-Y156 HydrophobicContact CZ-CG 3.61Å; F149-Y156 PolarHBondContact N-O 2.78Å; F149-Y156 PolarHBondContact O-N 2.88Å; T151-Y156 HydrophobicContact CG2-CE2 3.79Å; K154-Y156 HydrophobicContact CB-CD2 4.38Å; K154-Y156 HydrophobicContact CB-CE2 3.6Å; K154-Y156 HydrophobicContact CD-CE2 4.34Å; K154-Y156 WeakPolarHBondContact CD-OH 3.23Å; Y156-D380 PolarHBondContact OH-OD2 2.92Å
157	L	91	Very high	87.4	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.2	169.9	-60.5	172.5	0	0	0	108.1	M111 K112 E130 R131 L145 A148 L159 F397	M111-L157 WeakPolarHBondContact CA-O 3.18Å; K112-L157 HydrophobicContact CB-CB 4.31Å; K112-L157 HydrophobicContact CD-CD1 4.36Å; K112-L157 PolarHBondContact N-O 3.48Å; K112-L157 PolarHBondContact O-N 3.08Å; E130-L157 HydrophobicContact CG-CD1 4.43Å; R131-L157 HydrophobicContact CB-CD2 3.94Å; R131-L157 HydrophobicContact CG-CD2 3.72Å; L145-L157 HydrophobicContact CD1-CB 4.05Å; L145-L157 HydrophobicContact CD1-CD2 3.87Å; A148-L157 HydrophobicContact CB-CD2 3.74Å; L157-L159 HydrophobicContact CB-CG 4.47Å; L157-F397 HydrophobicContact CD2-CE1 4.13Å; L157-F397 HydrophobicContact CD2-CZ 3.7Å; L157-F397 HydrophobicContact CG-CZ 4.28Å
158	I	93.6	Very high	87	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	111.1	178.6	-50.3	-58.1	0	0	0	108	F80 Y109 M111 H146 Y147 F149	F80-I158 HydrophobicContact CD1-CD1 4.45Å; F80-I158 HydrophobicContact CD2-CD1 4.5Å; F80-I158 HydrophobicContact CE1-CD1 4.26Å; F80-I158 HydrophobicContact CE1-CG1 4.17Å; F80-I158 HydrophobicContact CE1-CG2 3.9Å; F80-I158 HydrophobicContact CE2-CD1 4.33Å; F80-I158 HydrophobicContact CE2-CG1 4.23Å; F80-I158 HydrophobicContact CZ-CD1 4.21Å; F80-I158 HydrophobicContact CZ-CG1 3.85Å; F80-I158 HydrophobicContact CZ-CG2 4.26Å; Y109-I158 VanDerWaalsContact CB-CG2 3.45Å; Y109-I158 HydrophobicContact CD1-CG2 3.91Å; Y109-I158 HydrophobicContact CD2-CG2 3.97Å; Y109-I158 HydrophobicContact CG-CG2 3.51Å; M111-I158 HydrophobicContact CB-CD1 3.8Å; M111-I158 HydrophobicContact CE-CD1 3.72Å; M111-I158 HydrophobicContact CG-CD1 3.59Å; M111-I158 HydrophobicContact SD-CD1 4.46Å; H146-I158 PolarHBondContact N-O 3.18Å; Y147-I158 HydrophobicContact CD2-CB 3.84Å; Y147-I158 HydrophobicContact CD2-CG1 4.2Å; Y147-I158 HydrophobicContact CD2-CG2 3.77Å; Y147-I158 HydrophobicContact CG-CB 4.35Å; Y147-I158 HydrophobicContact CG-CG1 4.39Å; Y147-I158 PolarHBondContact N-O 2.95Å; Y147-I158 PolarHBondContact O-N 2.96Å; F149-I158 HydrophobicContact CE1-CD1 3.97Å; F149-I158 HydrophobicContact CE1-CG1 3.85Å; F149-I158 HydrophobicContact CZ-CD1 4.43Å
159	L	93.6	Very high	86.4	Confident	10 Å²	10	20.5 Å²	20.5	5%	0.052	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	166.2	-169.8	-58.8	168.8	0	0	0	110.9	A110 L134 V143 K144 L145 L157 F161	A110-L159 HydrophobicContact CB-CB 4.45Å; A110-L159 PolarHBondContact N-O 3.25Å; A110-L159 PolarHBondContact O-N 3.44Å; L134-L159 HydrophobicContact CD1-CD2 4Å; V143-L159 HydrophobicContact CG2-CB 4.11Å; K144-L159 VanDerWaalsContact O-CA 3.31Å; K144-L159 WeakPolarHBondContact O-CA 3.44Å; L145-L159 HydrophobicContact CB-CD2 4.16Å; L145-L159 HydrophobicContact CD1-CD2 3.81Å; L157-L159 HydrophobicContact CB-CG 4.47Å; L159-F161 PolarHBondContact O-N 3.08Å
160	D	93.1	Very high	85.8	Confident	28 Å²	28	21.9 Å²	21.9	15%	0.15	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.4	135.3	168	-69.3	-25.2	0	0	0	111.2	V143 K144 H146 L162 K220	V143-D160 HydrophobicContact CG2-CB 3.98Å; K144-D160 WeakPolarHBondContact CB-OD2 3.09Å; K144-D160 PolarHBondContact N-OD2 3.35Å; K144-D160 PolarHBondContact O-N 2.85Å; H146-D160 IonicContact CD2-OD1 2.89Å; H146-D160 IonicContact CE1-OD1 2.7Å; H146-D160 IonicContact NE2-OD1 2.72Å; H146-D160 PolarHBondContact NE2-OD1 3.04Å; D160-L162 HydrophobicContact CB-CD2 3.92Å; D160-L162 HydrophobicContact CB-CG 4.13Å; D160-L162 PolarHBondContact O-N 3.43Å; D160-K220 IonicContact OD2-NZ 3Å; D160-K220 PolarHBondContact OD2-NZ 3.09Å
161	F	92.2	Very high	85.3	Confident	18 Å²	18	19.6 Å²	19.6	8%	0.079	10%	0.098	C	C	.	.			trans	-88.3	101.9	169.3	176.1	-130.2	0	0	0	110.4	L86 L96 L108 L159 R163 T366 F369	L86-F161 HydrophobicContact CD1-CD2 3.81Å; L86-F161 HydrophobicContact CD1-CE2 3.68Å; L86-F161 HydrophobicContact CD2-CE2 4.06Å; L96-F161 HydrophobicContact CD1-CB 4.41Å; L96-F161 HydrophobicContact CD1-CD1 3.58Å; L96-F161 HydrophobicContact CD1-CD2 3.71Å; L96-F161 HydrophobicContact CD1-CE1 3.61Å; L96-F161 HydrophobicContact CD1-CE2 3.77Å; L96-F161 HydrophobicContact CD1-CG 3.62Å; L96-F161 HydrophobicContact CD1-CZ 3.72Å; L96-F161 HydrophobicContact CD2-CE1 4.2Å; L96-F161 HydrophobicContact CD2-CE2 4.5Å; L96-F161 HydrophobicContact CD2-CZ 3.97Å; L96-F161 HydrophobicContact CG-CZ 4.4Å; L108-F161 HydrophobicContact CB-CD1 4.14Å; L108-F161 HydrophobicContact CD1-CD1 4.49Å; L159-F161 PolarHBondContact O-N 3.08Å; F161-R163 HydrophobicContact CD1-CG 3.7Å; F161-R163 HydrophobicContact CE1-CG 3.32Å; F161-R163 HydrophobicContact CE2-CG 4.45Å; F161-R163 HydrophobicContact CG-CG 4.42Å; F161-R163 HydrophobicContact CZ-CG 3.74Å; F161-T366 HydrophobicContact CZ-CG2 4.14Å; F161-F369 HydrophobicContact CD2-CZ 4.26Å; F161-F369 AromaticContact CE2-CE2 3.69Å; F161-F369 HydrophobicContact CE2-CE2 3.69Å; F161-F369 AromaticContact CE2-CZ 3.56Å; F161-F369 HydrophobicContact CE2-CZ 3.56Å; F161-F369 HydrophobicContact CZ-CE2 4.1Å; F161-F369 HydrophobicContact CZ-CZ 4.41Å
162	L	90.7	Very high	84.6	Confident	10 Å²	10	18.4 Å²	18.4	5%	0.052	9%	0.091	C	C	.	.			trans	-96	103.6	-175.3	-58.1	176.2	0	0	0	111	V143 D160 L212 L213 D214 K220 F369	V143-L162 HydrophobicContact CG2-CD1 4.39Å; D160-L162 HydrophobicContact CB-CD2 3.92Å; D160-L162 HydrophobicContact CB-CG 4.13Å; D160-L162 PolarHBondContact O-N 3.43Å; L162-L212 HydrophobicContact CB-CB 3.97Å; L162-L212 HydrophobicContact CB-CD1 4.26Å; L162-L212 HydrophobicContact CD1-CB 3.59Å; L162-L212 HydrophobicContact CD1-CD1 4.01Å; L162-L212 HydrophobicContact CD1-CG 4.35Å; L162-L212 HydrophobicContact CG-CB 4.44Å; L162-L213 CarbonylContact C-O 3.49Å; L162-D214 HydrophobicContact CD2-CB 4.13Å; L162-K220 HydrophobicContact CD1-CB 3.67Å; L162-K220 HydrophobicContact CD1-CD 4.15Å; L162-K220 HydrophobicContact CD1-CG 4.15Å; L162-K220 HydrophobicContact CD2-CD 3.76Å; L162-K220 HydrophobicContact CD2-CG 4.13Å; L162-F369 VanDerWaalsContact O-CZ 3.3Å; L162-F369 WeakPolarHBondContact O-CZ 3.31Å
163	R	84.1	Confident	84	Confident	44 Å²	44	16 Å²	16	17%	0.166	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-20.7	-165.9	-68.2	176.7	-78.4	176.8	-11.9	115	F161 G165 E215 V360 P363	F161-R163 HydrophobicContact CD1-CG 3.7Å; F161-R163 HydrophobicContact CE1-CG 3.32Å; F161-R163 HydrophobicContact CE2-CG 4.45Å; F161-R163 HydrophobicContact CG-CG 4.42Å; F161-R163 HydrophobicContact CZ-CG 3.74Å; R163-G165 PolarHBondContact O-N 2.96Å; R163-E215 IonicContact CZ-OE1 3.51Å; R163-E215 IonicContact CZ-OE2 3.74Å; R163-E215 IonicContact NE-OE2 3.12Å; R163-E215 PolarHBondContact NE-OE2 3.44Å; R163-E215 IonicContact NH2-OE1 2.73Å; R163-E215 PolarHBondContact NH2-OE1 2.97Å; R163-E215 IonicContact NH2-OE2 3.82Å; R163-E215 PolarHBondContact NH2-OE2 2.88Å; R163-V360 HydrophobicContact CB-CG1 3.95Å; R163-P363 WeakPolarHBondContact CD-O 3.43Å
164	G	79.9	Confident	83.1	Confident	4 Å²	4	16.8 Å²	16.8	4%	0.041	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-3.9	-178.1	0	0	0	0	0	114.6	L213 P358	G164-L213 VanDerWaalsContact CA-O 3.24Å; G164-L213 WeakPolarHBondContact CA-O 3.49Å; G164-L213 PolarHBondContact N-O 3.41Å; G164-P358 VanDerWaalsContact CA-CG 3.5Å
165	G	84.8	Confident	82.1	Confident	4 Å²	4	19.5 Å²	19.5	4%	0.041	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	72.6	-166.8	-179.2	0	0	0	0	0	112.7	R163 L212 L213	R163-G165 PolarHBondContact O-N 2.96Å; G165-L212 CarbonylContact O-C 3.54Å; G165-L212 VanDerWaalsContact O-CA 3.29Å; G165-L212 WeakPolarHBondContact O-CA 3.48Å; G165-L213 PolarHBondContact O-N 3.4Å
166	D	85.8	Confident	81.3	Confident	30 Å²	30	20.6 Å²	20.6	16%	0.16	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	146.5	179.9	60.9	63.5	0	0	0	113.4	F168 T169 R170 L212	D166-F168 PolarHBondContact O-N 3.03Å; D166-F168 WeakPolarHBondContact OD1-CB 3.36Å; D166-T169 PolarHBondContact O-N 3.4Å; D166-T169 VanDerWaalsContact O-N 3.12Å; D166-T169 VanDerWaalsContact OD1-CB 3.26Å; D166-T169 WeakPolarHBondContact OD1-CB 2.95Å; D166-T169 PolarHBondContact OD1-N 2.95Å; D166-T169 PolarHBondContact OD1-OG1 3.37Å; D166-R170 PolarHBondContact O-N 2.96Å; D166-L212 HydrophobicContact CB-CD2 3.54Å
167	L	87.3	Confident	80.8	Confident	2 Å²	2	20.7 Å²	20.7	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-60.7	-31	179.1	-168	68	0	0	0	111.4	T169 R170 L171 F177 Y185 P208 I211 L213 M273	L167-T169 PolarHBondContact O-N 3.04Å; L167-R170 PolarHBondContact O-N 3.02Å; L167-L171 WeakPolarHBondContact O-CB 3.42Å; L167-L171 PolarHBondContact O-N 3.45Å; L167-F177 HydrophobicContact CD1-CE2 3.75Å; L167-F177 HydrophobicContact CD1-CZ 4.04Å; L167-F177 HydrophobicContact CG-CE2 4.16Å; L167-Y185 HydrophobicContact CD1-CD2 4.42Å; L167-Y185 HydrophobicContact CD1-CE2 4.36Å; L167-P208 HydrophobicContact CB-CB 4.34Å; L167-P208 WeakPolarHBondContact CB-O 3.47Å; L167-P208 PolarHBondContact N-O 3.45Å; L167-I211 HydrophobicContact CB-CB 4.05Å; L167-I211 HydrophobicContact CB-CG2 4.2Å; L167-I211 WeakPolarHBondContact CB-O 3.42Å; L167-I211 HydrophobicContact CD2-CB 4.21Å; L167-I211 HydrophobicContact CD2-CD1 4.07Å; L167-I211 HydrophobicContact CD2-CG2 4.04Å; L167-I211 PolarHBondContact N-O 3.21Å; L167-L213 HydrophobicContact CD1-CD1 4.47Å; L167-M273 HydrophobicContact CD2-SD 3.81Å
168	F	83.8	Confident	80.3	Confident	3 Å²	3	22.7 Å²	22.7	1%	0.013	12%	0.117	C	C	.	.	H	α-helix	trans	-56.9	-46.8	174.1	178.6	-94.8	0	0	0	112.4	D166 R170 L171 S172 P208 E209 L740 R743	D166-F168 PolarHBondContact O-N 3.03Å; D166-F168 WeakPolarHBondContact OD1-CB 3.36Å; F168-R170 VanDerWaalsContact C-N 3.26Å; F168-R170 PolarHBondContact O-N 3.31Å; F168-L171 PolarHBondContact O-N 3.21Å; F168-S172 WeakPolarHBondContact CE1-OG 3.48Å; F168-S172 WeakPolarHBondContact CZ-OG 3.19Å; F168-S172 VanDerWaalsContact O-CB 3.3Å; F168-S172 WeakPolarHBondContact O-CB 3.38Å; F168-S172 PolarHBondContact O-N 2.83Å; F168-S172 PolarHBondContact O-OG 2.7Å; F168-P208 HydrophobicContact CB-CB 3.83Å; F168-P208 HydrophobicContact CD2-CB 4.48Å; F168-P208 PolarHBondContact N-O 3.24Å; F168-E209 HydrophobicContact CB-CG 3.9Å; F168-E209 HydrophobicContact CD2-CG 4.32Å; F168-E209 HydrophobicContact CG-CG 4.02Å; F168-L740 HydrophobicContact CE2-CD2 3.99Å; F168-L740 HydrophobicContact CZ-CD2 4.4Å; F168-R743 HydrophobicContact CZ-CB 4.27Å
169	T	75.6	Confident	79.9	Confident	16 Å²	16	25 Å²	25	10%	0.098	13%	0.128	C	C	.	.	H	α-helix	trans	-63.4	-37.5	179.9	-65.6	0	0	0	0	110.5	D166 L167 K173	D166-T169 PolarHBondContact O-N 3.4Å; D166-T169 VanDerWaalsContact O-N 3.12Å; D166-T169 VanDerWaalsContact OD1-CB 3.26Å; D166-T169 WeakPolarHBondContact OD1-CB 2.95Å; D166-T169 PolarHBondContact OD1-N 2.95Å; D166-T169 PolarHBondContact OD1-OG1 3.37Å; L167-T169 PolarHBondContact O-N 3.04Å; T169-K173 WeakPolarHBondContact O-CG 3.36Å; T169-K173 PolarHBondContact O-N 3.12Å
170	R	78.4	Confident	79.5	Confident	33 Å²	33	29 Å²	29	13%	0.125	15%	0.146	C	C	.	.	H	α-helix	trans	-67.7	-50.6	175.1	-171.4	69.9	-164.7	150.3	19.4	111.7	D166 L167 F168 S172 K173 E174 F177	D166-R170 PolarHBondContact O-N 2.96Å; L167-R170 PolarHBondContact O-N 3.02Å; F168-R170 VanDerWaalsContact C-N 3.26Å; F168-R170 PolarHBondContact O-N 3.31Å; R170-S172 PolarHBondContact O-N 3.11Å; R170-K173 PolarHBondContact O-N 3.22Å; R170-K173 VanDerWaalsContact O-N 3.09Å; R170-E174 WeakPolarHBondContact CG-OE1 3.44Å; R170-E174 IonicContact CZ-OE1 3.98Å; R170-E174 IonicContact NE-OE1 2.91Å; R170-E174 PolarHBondContact NE-OE1 3.1Å; R170-E174 VanDerWaalsContact NH2-CD 3.26Å; R170-E174 IonicContact NH2-OE1 2.85Å; R170-E174 PolarHBondContact NH2-OE1 3.3Å; R170-E174 PolarHBondContact O-N 3.2Å; R170-F177 HydrophobicContact CB-CZ 4.17Å; R170-F177 HydrophobicContact CG-CE1 3.99Å; R170-F177 HydrophobicContact CG-CZ 3.87Å
171	L	74	Confident	79.2	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58	-39.1	177.2	-177.1	60.2	0	0	0	111.6	L167 F168 K173 E174 V175 F177 E272 M273	L167-L171 WeakPolarHBondContact O-CB 3.42Å; L167-L171 PolarHBondContact O-N 3.45Å; F168-L171 PolarHBondContact O-N 3.21Å; L171-K173 VanDerWaalsContact C-N 3.34Å; L171-K173 PolarHBondContact O-N 2.8Å; L171-E174 PolarHBondContact O-N 3.36Å; L171-V175 CarbonylContact O-C 3.23Å; L171-V175 WeakPolarHBondContact O-CA 3.22Å; L171-V175 PolarHBondContact O-N 3.15Å; L171-F177 HydrophobicContact CB-CE1 4.2Å; L171-F177 HydrophobicContact CB-CE2 4.48Å; L171-F177 HydrophobicContact CB-CZ 3.9Å; L171-F177 HydrophobicContact CD1-CD1 4.04Å; L171-F177 HydrophobicContact CD1-CD2 4.43Å; L171-F177 HydrophobicContact CD1-CE1 4.03Å; L171-F177 HydrophobicContact CD1-CE2 4.4Å; L171-F177 HydrophobicContact CD1-CG 4.25Å; L171-F177 HydrophobicContact CD1-CZ 4.21Å; L171-E272 HydrophobicContact CD2-CG 3.97Å; L171-M273 HydrophobicContact CD2-CG 4.31Å
172	S	69.3	Low	79.3	Confident	27 Å²	27	27.5 Å²	27.5	19%	0.189	14%	0.139	C	C	.	.	H	α-helix	trans	-64	-35.8	177	-62.2	0	0	0	0	113.3	F168 R170	F168-S172 WeakPolarHBondContact CE1-OG 3.48Å; F168-S172 WeakPolarHBondContact CZ-OG 3.19Å; F168-S172 VanDerWaalsContact O-CB 3.3Å; F168-S172 WeakPolarHBondContact O-CB 3.38Å; F168-S172 PolarHBondContact O-N 2.83Å; F168-S172 PolarHBondContact O-OG 2.7Å; R170-S172 PolarHBondContact O-N 3.11Å
173	K	64.6	Low	79.5	Confident	88 Å²	88	27.7 Å²	27.7	38%	0.383	14%	0.14	S	C	.	.	H	α-helix	trans	-73	-35.5	176	-74.7	-177.7	175.4	-170.3	0	111.9	T169 R170 L171	T169-K173 WeakPolarHBondContact O-CG 3.36Å; T169-K173 PolarHBondContact O-N 3.12Å; R170-K173 PolarHBondContact O-N 3.22Å; R170-K173 VanDerWaalsContact O-N 3.09Å; L171-K173 VanDerWaalsContact C-N 3.34Å; L171-K173 PolarHBondContact O-N 2.8Å
174	E	61.1	Low	80.1	Confident	18 Å²	18	26.1 Å²	26.1	8%	0.084	13%	0.134	C	C	.	.	H	α-helix	trans	-91	-12.7	-176.2	-68.2	-170.9	-139.5	0	0	114.9	R170 L171 M176 F177 R583	R170-E174 WeakPolarHBondContact CG-OE1 3.44Å; R170-E174 IonicContact CZ-OE1 3.98Å; R170-E174 IonicContact NE-OE1 2.91Å; R170-E174 PolarHBondContact NE-OE1 3.1Å; R170-E174 VanDerWaalsContact NH2-CD 3.26Å; R170-E174 IonicContact NH2-OE1 2.85Å; R170-E174 PolarHBondContact NH2-OE1 3.3Å; R170-E174 PolarHBondContact O-N 3.2Å; L171-E174 PolarHBondContact O-N 3.36Å; E174-M176 PolarHBondContact O-N 3.42Å; E174-F177 HydrophobicContact CB-CD1 4.11Å; E174-F177 HydrophobicContact CB-CE1 4.02Å; E174-F177 HydrophobicContact CG-CD1 4.43Å; E174-F177 HydrophobicContact CG-CE1 4.12Å; E174-F177 WeakPolarHBondContact OE1-CE1 3.32Å; E174-F177 WeakPolarHBondContact OE2-CD1 3.43Å; E174-R583 VanDerWaalsContact CD-CZ 3.45Å; E174-R583 VanDerWaalsContact CD-NH1 3.33Å; E174-R583 VanDerWaalsContact CD-NH2 3.3Å; E174-R583 IonicContact OE1-CZ 3.63Å; E174-R583 IonicContact OE1-NH1 3.42Å; E174-R583 PolarHBondContact OE1-NH1 3.3Å; E174-R583 IonicContact OE1-NH2 3.57Å; E174-R583 PolarHBondContact OE1-NH2 2.82Å; E174-R583 IonicContact OE2-CZ 2.78Å; E174-R583 IonicContact OE2-NE 2.81Å; E174-R583 IonicContact OE2-NH1 2.83Å; E174-R583 PolarHBondContact OE2-NH1 3.32Å; E174-R583 IonicContact OE2-NH2 2.65Å; E174-R583 PolarHBondContact OE2-NH2 2.89Å
175	V	64	Low	80.9	Confident	67 Å²	67	26.2 Å²	26.2	41%	0.406	13%	0.133	S	C	.	.	S	Bend	trans	68.2	-51.8	-169.2	-171.8	0	0	0	0	112.8	L171 G276	L171-V175 CarbonylContact O-C 3.23Å; L171-V175 WeakPolarHBondContact O-CA 3.22Å; L171-V175 PolarHBondContact O-N 3.15Å; V175-G276 WeakPolarHBondContact O-CA 3.28Å
176	M	71.6	Confident	81.5	Confident	24 Å²	24	26 Å²	26	12%	0.118	13%	0.132	C	C	.	.	S	Bend	trans	-152.2	158.5	175.1	68.9	-172.2	-163.1	0	0	110.7	E174 M273 M590 A596	E174-M176 PolarHBondContact O-N 3.42Å; M176-M273 CarbonylContact C-O 3.59Å; M176-M273 WeakPolarHBondContact CA-O 3.22Å; M176-M590 HydrophobicContact CE-CE 3.22Å; M176-M590 HydrophobicContact CE-SD 3.73Å; M176-M590 HydrophobicContact CG-CE 3.94Å; M176-M590 HydrophobicContact SD-CE 4.02Å; M176-A596 HydrophobicContact CE-CB 3.67Å
177	F	79.7	Confident	82.1	Confident	8 Å²	8	24.6 Å²	24.6	4%	0.035	12%	0.124	C	C	.	.			trans	-98.9	158.5	178.3	-66.2	-15.3	0	0	0	112	L167 R170 L171 E174 D181 V182 Y185 M273	L167-F177 HydrophobicContact CD1-CE2 3.75Å; L167-F177 HydrophobicContact CD1-CZ 4.04Å; L167-F177 HydrophobicContact CG-CE2 4.16Å; R170-F177 HydrophobicContact CB-CZ 4.17Å; R170-F177 HydrophobicContact CG-CE1 3.99Å; R170-F177 HydrophobicContact CG-CZ 3.87Å; L171-F177 HydrophobicContact CB-CE1 4.2Å; L171-F177 HydrophobicContact CB-CE2 4.48Å; L171-F177 HydrophobicContact CB-CZ 3.9Å; L171-F177 HydrophobicContact CD1-CD1 4.04Å; L171-F177 HydrophobicContact CD1-CD2 4.43Å; L171-F177 HydrophobicContact CD1-CE1 4.03Å; L171-F177 HydrophobicContact CD1-CE2 4.4Å; L171-F177 HydrophobicContact CD1-CG 4.25Å; L171-F177 HydrophobicContact CD1-CZ 4.21Å; E174-F177 HydrophobicContact CB-CD1 4.11Å; E174-F177 HydrophobicContact CB-CE1 4.02Å; E174-F177 HydrophobicContact CG-CD1 4.43Å; E174-F177 HydrophobicContact CG-CE1 4.12Å; E174-F177 WeakPolarHBondContact OE1-CE1 3.32Å; E174-F177 WeakPolarHBondContact OE2-CD1 3.43Å; F177-D181 HydrophobicContact CB-CB 4.13Å; F177-V182 HydrophobicContact CB-CG2 3.68Å; F177-V182 HydrophobicContact CD2-CG2 4.47Å; F177-Y185 HydrophobicContact CD2-CD2 4.34Å; F177-Y185 HydrophobicContact CD2-CE2 4.48Å; F177-Y185 HydrophobicContact CE2-CD2 4.31Å; F177-Y185 HydrophobicContact CE2-CE2 4.28Å; F177-M273 HydrophobicContact CB-CB 4.5Å; F177-M273 HydrophobicContact CD2-CB 3.96Å; F177-M273 HydrophobicContact CD2-CG 3.95Å; F177-M273 HydrophobicContact CD2-SD 3.84Å; F177-M273 HydrophobicContact CE2-CG 4.19Å; F177-M273 HydrophobicContact CE2-SD 3.96Å; F177-M273 PolarHBondContact N-O 2.74Å
178	T	79.6	Confident	82.6	Confident	42 Å²	42	24.5 Å²	24.5	26%	0.258	12%	0.123	S	C	.	.			trans	-72.8	158.5	172.5	71.2	0	0	0	0	110.9	E180 D181 V182	T178-E180 PolarHBondContact O-N 2.97Å; T178-D181 PolarHBondContact N-OD2 2.88Å; T178-D181 PolarHBondContact O-N 2.83Å; T178-D181 PolarHBondContact OG1-N 3.19Å; T178-D181 PolarHBondContact OG1-OD1 3.25Å; T178-D181 PolarHBondContact OG1-OD2 3.23Å; T178-V182 WeakPolarHBondContact O-CB 3.29Å; T178-V182 WeakPolarHBondContact O-CG2 3.48Å; T178-V182 PolarHBondContact O-N 3.41Å
179	E	85.3	Confident	83.3	Confident	48 Å²	48	24.5 Å²	24.5	22%	0.224	12%	0.123	C	C	.	.	H	α-helix	trans	-59.1	-33.9	176.4	-72.8	-167	-163.2	0	0	112.9	K183 L274 L303 S304 F338	E179-K183 WeakPolarHBondContact O-CB 3.32Å; E179-K183 PolarHBondContact O-N 3.01Å; E179-L274 HydrophobicContact CB-CD2 4.42Å; E179-L274 HydrophobicContact CG-CD2 3.68Å; E179-L303 WeakPolarHBondContact OE1-CA 3.31Å; E179-S304 PolarHBondContact OE1-N 3.44Å; E179-S304 PolarHBondContact OE1-OG 3.34Å; E179-S304 WeakPolarHBondContact OE2-CB 3.29Å; E179-S304 PolarHBondContact OE2-OG 3.07Å; E179-F338 HydrophobicContact CB-CE2 4.42Å
180	E	84.6	Confident	84.4	Confident	94 Å²	94	23.7 Å²	23.7	44%	0.439	12%	0.119	S	C	.	.	H	α-helix	trans	-68.4	-43	175.7	-66.9	-56.1	139.1	0	0	112	T178 V182 K183 F184	T178-E180 PolarHBondContact O-N 2.97Å; E180-V182 VanDerWaalsContact C-N 3.34Å; E180-V182 PolarHBondContact O-N 3.37Å; E180-K183 PolarHBondContact O-N 3.26Å; E180-K183 IonicContact OE1-NZ 2.82Å; E180-K183 PolarHBondContact OE1-NZ 3.5Å; E180-K183 IonicContact OE2-NZ 3.78Å; E180-K183 PolarHBondContact OE2-NZ 2.97Å; E180-F184 PolarHBondContact O-N 2.94Å
181	D	87.6	Confident	85.3	Confident	16 Å²	16	22.8 Å²	22.8	9%	0.086	12%	0.116	C	C	.	.	H	α-helix	trans	-62.5	-44.8	175.9	-57.3	-28.1	0	0	0	110.5	F177 T178 F184 Y185 P355 R583	F177-D181 HydrophobicContact CB-CB 4.13Å; T178-D181 PolarHBondContact N-OD2 2.88Å; T178-D181 PolarHBondContact O-N 2.83Å; T178-D181 PolarHBondContact OG1-N 3.19Å; T178-D181 PolarHBondContact OG1-OD1 3.25Å; T178-D181 PolarHBondContact OG1-OD2 3.23Å; D181-F184 PolarHBondContact O-N 2.82Å; D181-Y185 WeakPolarHBondContact O-CD2 3.26Å; D181-Y185 PolarHBondContact O-N 3.29Å; D181-Y185 VanDerWaalsContact O-N 3.07Å; D181-P355 HydrophobicContact CB-CB 4.22Å; D181-P355 HydrophobicContact CB-CG 4.25Å; D181-P355 WeakPolarHBondContact OD1-CB 3.13Å; D181-R583 IonicContact OD2-CZ 3.79Å; D181-R583 IonicContact OD2-NH1 3.55Å; D181-R583 PolarHBondContact OD2-NH1 2.88Å
182	V	93.3	Very high	86.4	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.7	-45.6	176.6	167	0	0	0	0	111.1	F177 T178 E180 F184 Y185 L186 M270 M273 L274 F338	F177-V182 HydrophobicContact CB-CG2 3.68Å; F177-V182 HydrophobicContact CD2-CG2 4.47Å; T178-V182 WeakPolarHBondContact O-CB 3.29Å; T178-V182 WeakPolarHBondContact O-CG2 3.48Å; T178-V182 PolarHBondContact O-N 3.41Å; E180-V182 VanDerWaalsContact C-N 3.34Å; E180-V182 PolarHBondContact O-N 3.37Å; V182-F184 VanDerWaalsContact C-N 3.32Å; V182-F184 PolarHBondContact O-N 3.29Å; V182-Y185 PolarHBondContact O-N 2.8Å; V182-L186 HydrophobicContact CG1-CD1 3.47Å; V182-L186 VanDerWaalsContact CG1-CD1 3.47Å; V182-L186 HydrophobicContact CG1-CG 4.01Å; V182-L186 WeakPolarHBondContact O-CB 3.44Å; V182-L186 VanDerWaalsContact O-CG 3.24Å; V182-L186 WeakPolarHBondContact O-CG 3.41Å; V182-L186 PolarHBondContact O-N 3.06Å; V182-M270 HydrophobicContact CG1-CG 4.19Å; V182-M273 HydrophobicContact CG1-CE 4.03Å; V182-M273 HydrophobicContact CG2-CB 3.57Å; V182-M273 HydrophobicContact CG2-CE 4.29Å; V182-L274 HydrophobicContact CB-CD2 3.95Å; V182-L274 HydrophobicContact CB-CG 4.39Å; V182-L274 HydrophobicContact CG1-CD1 4.43Å; V182-L274 HydrophobicContact CG1-CD2 4.05Å; V182-L274 HydrophobicContact CG1-CG 4.04Å; V182-L274 HydrophobicContact CG2-CD2 3.69Å; V182-L274 HydrophobicContact CG2-CG 4.02Å; V182-F338 HydrophobicContact CG1-CE1 4.44Å; V182-F338 HydrophobicContact CG1-CZ 4.11Å
183	K	95.4	Very high	87.7	Confident	13 Å²	13	21.5 Å²	21.5	6%	0.057	11%	0.107	C	C	.	.	H	α-helix	trans	-58.9	-44.4	177.9	-172.6	-166.1	-54.3	165.8	0	111.5	E179 E180 A187 F338 F339 T341 I342	E179-K183 WeakPolarHBondContact O-CB 3.32Å; E179-K183 PolarHBondContact O-N 3.01Å; E180-K183 PolarHBondContact O-N 3.26Å; E180-K183 IonicContact OE1-NZ 2.82Å; E180-K183 PolarHBondContact OE1-NZ 3.5Å; E180-K183 IonicContact OE2-NZ 3.78Å; E180-K183 PolarHBondContact OE2-NZ 2.97Å; K183-A187 VanDerWaalsContact O-CB 3.26Å; K183-A187 WeakPolarHBondContact O-CB 3.4Å; K183-A187 PolarHBondContact O-N 3.36Å; K183-F338 HydrophobicContact CB-CD1 4.47Å; K183-F338 HydrophobicContact CB-CE1 3.73Å; K183-F338 HydrophobicContact CB-CZ 3.85Å; K183-F338 WeakPolarHBondContact CD-O 3.31Å; K183-F338 WeakPolarHBondContact CE-O 3.18Å; K183-F338 HydrophobicContact CG-CD1 4.23Å; K183-F338 HydrophobicContact CG-CE1 3.98Å; K183-F338 HydrophobicContact CG-CZ 4.41Å; K183-F338 WeakPolarHBondContact CG-O 3.48Å; K183-F339 HydrophobicContact CG-CD1 3.83Å; K183-F339 HydrophobicContact CG-CE1 4.31Å; K183-T341 WeakPolarHBondContact CD-OG1 3.44Å; K183-T341 PolarHBondContact NZ-OG1 3.22Å; K183-I342 HydrophobicContact CD-CD1 4.08Å; K183-I342 HydrophobicContact CD-CG1 4Å; K183-I342 HydrophobicContact CG-CD1 4.1Å; K183-I342 HydrophobicContact CG-CG1 3.95Å
184	F	96	Very high	89.2	Confident	12 Å²	12	19.5 Å²	19.5	5%	0.053	10%	0.1	C	C	.	.	H	α-helix	trans	-59.4	-57.8	176.2	179.1	-88.5	0	0	0	111.5	E180 D181 V182 L186 A187 E188 H218 L347 V352 P354 P355	E180-F184 PolarHBondContact O-N 2.94Å; D181-F184 PolarHBondContact O-N 2.82Å; V182-F184 VanDerWaalsContact C-N 3.32Å; V182-F184 PolarHBondContact O-N 3.29Å; F184-L186 PolarHBondContact O-N 2.94Å; F184-A187 PolarHBondContact O-N 3.04Å; F184-A187 VanDerWaalsContact O-N 3.13Å; F184-E188 VanDerWaalsContact CE1-CD 3.43Å; F184-E188 HydrophobicContact CE1-CG 4.2Å; F184-E188 WeakPolarHBondContact CE1-OE1 3.36Å; F184-E188 WeakPolarHBondContact CE1-OE2 3.3Å; F184-E188 HydrophobicContact CZ-CG 4.36Å; F184-E188 WeakPolarHBondContact CZ-OE1 3.4Å; F184-E188 PolarHBondContact O-N 3.39Å; F184-E188 VanDerWaalsContact O-N 3.16Å; F184-H218 AromaticContact CZ-ND1 3.83Å; F184-L347 HydrophobicContact CD2-CD1 4.11Å; F184-L347 HydrophobicContact CE2-CD1 3.63Å; F184-L347 HydrophobicContact CZ-CD1 4.11Å; F184-V352 HydrophobicContact CD2-CG1 4.04Å; F184-V352 HydrophobicContact CE2-CB 4.08Å; F184-V352 HydrophobicContact CE2-CG1 3.75Å; F184-P354 HydrophobicContact CE1-CB 3.98Å; F184-P354 HydrophobicContact CE1-CG 4.32Å; F184-P354 HydrophobicContact CZ-CB 3.95Å; F184-P354 HydrophobicContact CZ-CG 3.92Å; F184-P355 HydrophobicContact CB-CG 4.4Å; F184-P355 HydrophobicContact CD1-CG 3.96Å; F184-P355 HydrophobicContact CG-CG 4.29Å
185	Y	96.9	Very high	90.7	Very high	5 Å²	5	20.8 Å²	20.8	2%	0.02	11%	0.106	C	C	.	.	H	α-helix	trans	-65.7	-36.7	-175.9	-67.7	-50.9	0	0	0	113.2	L167 F177 D181 V182 A187 E188 L189 L213 I219 P355 F356	L167-Y185 HydrophobicContact CD1-CD2 4.42Å; L167-Y185 HydrophobicContact CD1-CE2 4.36Å; F177-Y185 HydrophobicContact CD2-CD2 4.34Å; F177-Y185 HydrophobicContact CD2-CE2 4.48Å; F177-Y185 HydrophobicContact CE2-CD2 4.31Å; F177-Y185 HydrophobicContact CE2-CE2 4.28Å; D181-Y185 WeakPolarHBondContact O-CD2 3.26Å; D181-Y185 PolarHBondContact O-N 3.29Å; D181-Y185 VanDerWaalsContact O-N 3.07Å; V182-Y185 PolarHBondContact O-N 2.8Å; Y185-A187 VanDerWaalsContact C-N 3.32Å; Y185-E188 PolarHBondContact O-N 3.48Å; Y185-L189 VanDerWaalsContact O-CB 3.27Å; Y185-L189 WeakPolarHBondContact O-CB 3.47Å; Y185-L189 PolarHBondContact O-N 3.13Å; Y185-L213 HydrophobicContact CE1-CD2 3.79Å; Y185-I219 HydrophobicContact CD1-CG2 3.47Å; Y185-I219 VanDerWaalsContact CD1-CG2 3.47Å; Y185-I219 HydrophobicContact CE1-CG2 3.94Å; Y185-I219 HydrophobicContact CG-CG2 4.29Å; Y185-P355 HydrophobicContact CD2-CG 4.46Å; Y185-P355 HydrophobicContact CE1-CG 4.21Å; Y185-P355 HydrophobicContact CE2-CG 3.75Å; Y185-F356 WeakPolarHBondContact OH-CB 3.5Å
186	L	98.2	Very high	92.1	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-68.3	-31.8	175.3	-73.6	-177.6	0	0	0	112.5	V182 F184 L189 A190 F266 L269 M270 M273 F338 F339	V182-L186 HydrophobicContact CG1-CD1 3.47Å; V182-L186 VanDerWaalsContact CG1-CD1 3.47Å; V182-L186 HydrophobicContact CG1-CG 4.01Å; V182-L186 WeakPolarHBondContact O-CB 3.44Å; V182-L186 VanDerWaalsContact O-CG 3.24Å; V182-L186 WeakPolarHBondContact O-CG 3.41Å; V182-L186 PolarHBondContact O-N 3.06Å; F184-L186 PolarHBondContact O-N 2.94Å; L186-L189 HydrophobicContact CD2-CD2 4.22Å; L186-L189 PolarHBondContact O-N 2.96Å; L186-A190 VanDerWaalsContact O-CB 3.29Å; L186-A190 WeakPolarHBondContact O-CB 3.36Å; L186-A190 PolarHBondContact O-N 3.49Å; L186-F266 HydrophobicContact CB-CE1 4.24Å; L186-F266 HydrophobicContact CB-CE2 4.16Å; L186-F266 HydrophobicContact CB-CZ 3.6Å; L186-F266 HydrophobicContact CD1-CE1 4.09Å; L186-F266 HydrophobicContact CD1-CZ 4.29Å; L186-F266 HydrophobicContact CD2-CD1 4.31Å; L186-F266 HydrophobicContact CD2-CD2 4.14Å; L186-F266 HydrophobicContact CD2-CE1 3.97Å; L186-F266 HydrophobicContact CD2-CE2 3.8Å; L186-F266 HydrophobicContact CD2-CG 4.4Å; L186-F266 HydrophobicContact CD2-CZ 3.73Å; L186-F266 HydrophobicContact CG-CE1 4.33Å; L186-F266 HydrophobicContact CG-CZ 4.06Å; L186-F266 WeakPolarHBondContact O-CE2 3.49Å; L186-F266 WeakPolarHBondContact O-CZ 3.37Å; L186-L269 HydrophobicContact CD2-CD2 4.31Å; L186-M270 HydrophobicContact CD1-CB 3.56Å; L186-M270 HydrophobicContact CD1-CG 3.54Å; L186-M270 HydrophobicContact CD1-SD 4Å; L186-M270 HydrophobicContact CD2-CB 4.47Å; L186-M273 HydrophobicContact CD1-CE 4.27Å; L186-M273 HydrophobicContact CD2-CE 3.58Å; L186-M273 HydrophobicContact CG-CE 3.67Å; L186-F338 HydrophobicContact CD1-CE1 4.43Å; L186-F339 HydrophobicContact CB-CE1 3.93Å; L186-F339 HydrophobicContact CB-CZ 3.97Å
187	A	98.3	Very high	93.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-68.5	-43.5	175.6	0	0	0	0	0	111.5	K183 F184 Y185 L189 A190 L191 F339 I342 W344 L347	K183-A187 VanDerWaalsContact O-CB 3.26Å; K183-A187 WeakPolarHBondContact O-CB 3.4Å; K183-A187 PolarHBondContact O-N 3.36Å; F184-A187 PolarHBondContact O-N 3.04Å; F184-A187 VanDerWaalsContact O-N 3.13Å; Y185-A187 VanDerWaalsContact C-N 3.32Å; A187-L189 VanDerWaalsContact C-N 3.27Å; A187-L189 PolarHBondContact O-N 3.39Å; A187-A190 PolarHBondContact O-N 3.4Å; A187-L191 PolarHBondContact O-N 3.1Å; A187-L191 VanDerWaalsContact O-N 3.15Å; A187-F339 HydrophobicContact CB-CD1 4.03Å; A187-F339 HydrophobicContact CB-CE1 4.08Å; A187-I342 HydrophobicContact CB-CD1 4.5Å; A187-I342 HydrophobicContact CB-CG1 4.19Å; A187-I342 HydrophobicContact CB-CG2 4Å; A187-W344 HydrophobicContact CB-CE3 4.5Å; A187-W344 HydrophobicContact CB-CH2 3.71Å; A187-W344 HydrophobicContact CB-CZ2 4.43Å; A187-W344 HydrophobicContact CB-CZ3 3.76Å; A187-W344 WeakPolarHBondContact O-CZ3 3.38Å; A187-L347 HydrophobicContact CB-CD2 3.35Å
188	E	98.3	Very high	93.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.7	-41.4	173.2	-64.3	-165.9	145.9	0	0	111.4	F141 F184 Y185 L191 G192 H218 I219 L347	F141-E188 HydrophobicContact CD1-CB 4Å; F141-E188 HydrophobicContact CD1-CG 4.24Å; F141-E188 HydrophobicContact CD2-CB 4.02Å; F141-E188 WeakPolarHBondContact CD2-O 3.28Å; F141-E188 HydrophobicContact CE1-CB 4.02Å; F141-E188 VanDerWaalsContact CE1-CD 3.41Å; F141-E188 HydrophobicContact CE1-CG 3.76Å; F141-E188 WeakPolarHBondContact CE1-OE1 3.39Å; F141-E188 HydrophobicContact CE2-CB 4.08Å; F141-E188 HydrophobicContact CE2-CG 4.11Å; F141-E188 HydrophobicContact CG-CB 4Å; F141-E188 HydrophobicContact CZ-CB 4.06Å; F141-E188 HydrophobicContact CZ-CG 3.69Å; F184-E188 VanDerWaalsContact CE1-CD 3.43Å; F184-E188 HydrophobicContact CE1-CG 4.2Å; F184-E188 WeakPolarHBondContact CE1-OE1 3.36Å; F184-E188 WeakPolarHBondContact CE1-OE2 3.3Å; F184-E188 HydrophobicContact CZ-CG 4.36Å; F184-E188 WeakPolarHBondContact CZ-OE1 3.4Å; F184-E188 PolarHBondContact O-N 3.39Å; F184-E188 VanDerWaalsContact O-N 3.16Å; Y185-E188 PolarHBondContact O-N 3.48Å; E188-L191 PolarHBondContact O-N 3.19Å; E188-G192 PolarHBondContact O-N 2.99Å; E188-G192 VanDerWaalsContact O-N 3.08Å; E188-H218 IonicContact OE1-CE1 2.69Å; E188-H218 IonicContact OE1-CG 3.48Å; E188-H218 IonicContact OE1-ND1 2.97Å; E188-H218 PolarHBondContact OE1-ND1 3.14Å; E188-I219 HydrophobicContact CB-CD1 3.92Å; E188-I219 HydrophobicContact CB-CG1 3.56Å; E188-I219 HydrophobicContact CG-CG1 4.5Å; E188-I219 WeakPolarHBondContact OE2-CG1 3.21Å; E188-I219 PolarHBondContact OE2-N 3.17Å; E188-L347 HydrophobicContact CG-CD1 3.77Å; E188-L347 HydrophobicContact CG-CD2 4.04Å; E188-L347 HydrophobicContact CG-CG 4Å
189	L	97.9	Very high	94.1	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-66.4	-40.6	179.9	-173	60	0	0	0	112	Y185 L186 A187 L191 G192 L193 L206 I211 I219 L221 F266 L269	Y185-L189 VanDerWaalsContact O-CB 3.27Å; Y185-L189 WeakPolarHBondContact O-CB 3.47Å; Y185-L189 PolarHBondContact O-N 3.13Å; L186-L189 HydrophobicContact CD2-CD2 4.22Å; L186-L189 PolarHBondContact O-N 2.96Å; A187-L189 VanDerWaalsContact C-N 3.27Å; A187-L189 PolarHBondContact O-N 3.39Å; L189-L191 VanDerWaalsContact C-N 3.31Å; L189-L191 PolarHBondContact O-N 3.42Å; L189-G192 PolarHBondContact O-N 2.89Å; L189-L193 HydrophobicContact CG-CD1 4.24Å; L189-L193 WeakPolarHBondContact O-CG 3.36Å; L189-L193 PolarHBondContact O-N 3.49Å; L189-L206 HydrophobicContact CD1-CD1 3.74Å; L189-L206 HydrophobicContact CD2-CD1 3.89Å; L189-L206 HydrophobicContact CD2-CD2 4.02Å; L189-L206 HydrophobicContact CD2-CG 4.39Å; L189-L206 HydrophobicContact CG-CD1 4.24Å; L189-I211 HydrophobicContact CD1-CD1 4.34Å; L189-I211 HydrophobicContact CD2-CD1 4.06Å; L189-I219 HydrophobicContact CB-CD1 3.68Å; L189-I219 HydrophobicContact CD1-CD1 4Å; L189-I219 HydrophobicContact CG-CD1 4.41Å; L189-L221 HydrophobicContact CD1-CD1 3.86Å; L189-L221 HydrophobicContact CD1-CD2 3.6Å; L189-L221 HydrophobicContact CD1-CG 3.73Å; L189-F266 HydrophobicContact CB-CE2 4.14Å; L189-F266 HydrophobicContact CD2-CD2 3.85Å; L189-F266 HydrophobicContact CD2-CE2 4.1Å; L189-F266 HydrophobicContact CG-CD2 4.14Å; L189-F266 HydrophobicContact CG-CE2 4.15Å; L189-L269 HydrophobicContact CD2-CD2 3.36Å
190	A	98.1	Very high	94.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.5	-40.1	176.4	0	0	0	0	0	111.2	L186 A187 L193 D194 W263 F266 I333 W344	L186-A190 VanDerWaalsContact O-CB 3.29Å; L186-A190 WeakPolarHBondContact O-CB 3.36Å; L186-A190 PolarHBondContact O-N 3.49Å; A187-A190 PolarHBondContact O-N 3.4Å; A190-L193 PolarHBondContact O-N 2.9Å; A190-D194 WeakPolarHBondContact O-CB 3.27Å; A190-D194 PolarHBondContact O-N 3.08Å; A190-W263 HydrophobicContact CB-CH2 4.38Å; A190-W263 HydrophobicContact CB-CZ3 4.38Å; A190-F266 HydrophobicContact CB-CE2 4.08Å; A190-F266 HydrophobicContact CB-CZ 4.25Å; A190-I333 HydrophobicContact CB-CG2 4.37Å; A190-W344 HydrophobicContact CB-CH2 4.27Å; A190-W344 HydrophobicContact CB-CZ3 4.18Å
191	L	98.1	Very high	94.4	Very high	14 Å²	14	18.5 Å²	18.5	7%	0.073	11%	0.108	C	C	.	.	H	α-helix	trans	-63.1	-43.9	174	-71.8	169.6	0	0	0	111.9	H139 F141 A187 E188 L189 H195 W344 L347 F348	H139-L191 VanDerWaalsContact CE1-C 3.46Å; H139-L191 PolarHBondContact CE1-O 3.39Å; H139-L191 PolarHBondContact NE2-O 3.28Å; F141-L191 HydrophobicContact CD2-CB 3.96Å; F141-L191 HydrophobicContact CD2-CD1 4.26Å; F141-L191 HydrophobicContact CE2-CB 4.25Å; F141-L191 HydrophobicContact CE2-CD1 3.69Å; A187-L191 PolarHBondContact O-N 3.1Å; A187-L191 VanDerWaalsContact O-N 3.15Å; E188-L191 PolarHBondContact O-N 3.19Å; L189-L191 VanDerWaalsContact C-N 3.31Å; L189-L191 PolarHBondContact O-N 3.42Å; L191-H195 PolarHBondContact O-N 2.87Å; L191-H195 VanDerWaalsContact O-N 3.14Å; L191-W344 HydrophobicContact CD1-CE3 4.14Å; L191-W344 HydrophobicContact CD2-CE3 3.98Å; L191-W344 HydrophobicContact CG-CE3 3.88Å; L191-W344 HydrophobicContact CG-CZ3 4.09Å; L191-L347 HydrophobicContact CD1-CB 4.4Å; L191-L347 HydrophobicContact CD1-CD2 4.03Å; L191-L347 HydrophobicContact CD1-CG 4.21Å; L191-F348 HydrophobicContact CD1-CB 4.15Å
192	G	96.7	Very high	94.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.9	-46	176.3	0	0	0	0	0	113	H139 E188 L189 H195 L196	H139-G192 PolarHBondContact CE1-N 3.49Å; E188-G192 PolarHBondContact O-N 2.99Å; E188-G192 VanDerWaalsContact O-N 3.08Å; L189-G192 PolarHBondContact O-N 2.89Å; G192-H195 PolarHBondContact O-N 3.32Å; G192-L196 WeakPolarHBondContact O-CG 3.41Å; G192-L196 PolarHBondContact O-N 3.39Å
193	L	96.1	Very high	94.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66.5	-42.2	178	-71.4	175.6	0	0	0	112.2	L189 A190 H195 L196 H197 Y203 L206 L221 D262 W263 F266	L189-L193 HydrophobicContact CG-CD1 4.24Å; L189-L193 WeakPolarHBondContact O-CG 3.36Å; L189-L193 PolarHBondContact O-N 3.49Å; A190-L193 PolarHBondContact O-N 2.9Å; L193-H195 VanDerWaalsContact C-N 3.31Å; L193-H195 PolarHBondContact O-N 2.85Å; L193-L196 PolarHBondContact O-N 3.24Å; L193-H197 WeakPolarHBondContact O-CB 3.38Å; L193-H197 PolarHBondContact O-CD2 2.92Å; L193-H197 PolarHBondContact O-N 2.88Å; L193-Y203 HydrophobicContact CD2-CG 4.43Å; L193-L206 HydrophobicContact CD1-CD2 4.25Å; L193-L221 HydrophobicContact CD2-CD1 4.15Å; L193-L221 HydrophobicContact CG-CD1 4.43Å; L193-D262 HydrophobicContact CD2-CB 4.34Å; L193-W263 HydrophobicContact CB-CH2 4.19Å; L193-W263 HydrophobicContact CD1-CZ3 4.13Å; L193-F266 HydrophobicContact CD1-CD2 3.97Å
194	D	95.9	Very high	94.1	Very high	45 Å²	45	18.6 Å²	18.6	24%	0.241	11%	0.107	C	C	.	.	H	α-helix	trans	-55.5	-46.6	176.3	-174.6	32.4	0	0	0	111.4	A190 L196 H197 S198 A330 K334	A190-D194 WeakPolarHBondContact O-CB 3.27Å; A190-D194 PolarHBondContact O-N 3.08Å; D194-L196 PolarHBondContact O-N 3.46Å; D194-H197 PolarHBondContact O-N 3.3Å; D194-S198 WeakPolarHBondContact O-CB 3.43Å; D194-S198 PolarHBondContact O-N 3.13Å; D194-A330 HydrophobicContact CB-CB 3.53Å; D194-A330 VanDerWaalsContact CG-CB 3.41Å; D194-A330 VanDerWaalsContact OD1-CB 3.28Å; D194-A330 WeakPolarHBondContact OD1-CB 3.38Å; D194-K334 IonicContact OD2-NZ 3.43Å; D194-K334 PolarHBondContact OD2-NZ 3.15Å
195	H	94.3	Very high	93.8	Very high	45 Å²	45	18.2 Å²	18.2	21%	0.208	11%	0.106	C	C	.	.	H	α-helix	trans	-60.6	-47.4	175.9	-178.8	62.8	0	0	0	112.4	H139 L191 G192 L193 H197 S198 L199	H139-H195 AromaticContact CD2-CG 3.7Å; L191-H195 PolarHBondContact O-N 2.87Å; L191-H195 VanDerWaalsContact O-N 3.14Å; G192-H195 PolarHBondContact O-N 3.32Å; L193-H195 VanDerWaalsContact C-N 3.31Å; L193-H195 PolarHBondContact O-N 2.85Å; H195-H197 VanDerWaalsContact C-N 3.35Å; H195-H197 PolarHBondContact O-N 3.21Å; H195-S198 PolarHBondContact O-N 3.4Å; H195-S198 PolarHBondContact O-OG 2.77Å; H195-L199 PolarHBondContact O-N 3.07Å
196	L	92.6	Very high	93.6	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.8	-43.9	177.2	-65.9	175.7	0	0	0	112	V137 G192 L193 D194 S198 L199 G200 I201 Y203 L221 F224	V137-L196 HydrophobicContact CG1-CD2 4.03Å; V137-L196 HydrophobicContact CG2-CD2 3.71Å; G192-L196 WeakPolarHBondContact O-CG 3.41Å; G192-L196 PolarHBondContact O-N 3.39Å; L193-L196 PolarHBondContact O-N 3.24Å; D194-L196 PolarHBondContact O-N 3.46Å; L196-S198 VanDerWaalsContact C-N 3.31Å; L196-S198 PolarHBondContact O-N 3.21Å; L196-L199 PolarHBondContact O-N 3.24Å; L196-L199 VanDerWaalsContact O-N 3.16Å; L196-G200 PolarHBondContact O-N 3.25Å; L196-I201 CarbonylContact C-O 3.56Å; L196-I201 HydrophobicContact CB-CB 4.35Å; L196-I201 HydrophobicContact CD2-CD1 4.41Å; L196-I201 HydrophobicContact CD2-CG2 4.49Å; L196-I201 WeakPolarHBondContact O-CB 3.13Å; L196-I201 PolarHBondContact O-N 3.24Å; L196-Y203 HydrophobicContact CD1-CD2 4.14Å; L196-L221 HydrophobicContact CD1-CD1 4.2Å; L196-F224 HydrophobicContact CD1-CE1 3.79Å; L196-F224 HydrophobicContact CD1-CZ 4.23Å; L196-F224 HydrophobicContact CD2-CE1 3.78Å; L196-F224 HydrophobicContact CD2-CZ 4.47Å; L196-F224 HydrophobicContact CG-CE1 4.46Å
197	H	92.6	Very high	93.2	Very high	28 Å²	28	18.2 Å²	18.2	13%	0.13	11%	0.106	C	C	.	.	H	α-helix	trans	-65.4	-35.7	179.3	-65.4	174.8	0	0	0	111.7	L193 D194 H195 L199 G200 I201 H259 D262 W263	L193-H197 WeakPolarHBondContact O-CB 3.38Å; L193-H197 PolarHBondContact O-CD2 2.92Å; L193-H197 PolarHBondContact O-N 2.88Å; D194-H197 PolarHBondContact O-N 3.3Å; H195-H197 VanDerWaalsContact C-N 3.35Å; H195-H197 PolarHBondContact O-N 3.21Å; H197-L199 PolarHBondContact O-N 2.87Å; H197-G200 WeakPolarHBondContact O-CA 3.44Å; H197-G200 PolarHBondContact O-N 3.25Å; H197-I201 PolarHBondContact CD2-O 3.15Å; H197-H259 HydrophobicContact CB-CB 4.32Å; H197-D262 IonicContact CD2-OD2 2.7Å; H197-D262 IonicContact CE1-OD2 2.75Å; H197-D262 IonicContact NE2-OD2 2.74Å; H197-D262 PolarHBondContact NE2-OD2 3.13Å; H197-W263 AromaticContact ND1-CZ2 3.98Å; H197-W263 AromaticContact ND1-NE1 3.99Å
198	S	90.6	Very high	92.7	Very high	85 Å²	85	18.2 Å²	18.2	59%	0.594	11%	0.106	S	C	*	.	H	α-helix	trans	-62.7	-29	174.7	80.7	0	0	0	0	113.1	D194 H195 L196 G200	D194-S198 WeakPolarHBondContact O-CB 3.43Å; D194-S198 PolarHBondContact O-N 3.13Å; H195-S198 PolarHBondContact O-N 3.4Å; H195-S198 PolarHBondContact O-OG 2.77Å; L196-S198 VanDerWaalsContact C-N 3.31Å; L196-S198 PolarHBondContact O-N 3.21Å; S198-G200 VanDerWaalsContact C-N 3.31Å
199	L	89.2	Confident	92.2	Very high	82 Å²	82	19.3 Å²	19.3	43%	0.429	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	1.6	173.5	-62.2	174.9	0	0	0	112.8	V137 H195 L196 H197 I201	V137-L199 HydrophobicContact CG2-CD1 3.92Å; H195-L199 PolarHBondContact O-N 3.07Å; L196-L199 PolarHBondContact O-N 3.24Å; L196-L199 VanDerWaalsContact O-N 3.16Å; H197-L199 PolarHBondContact O-N 2.87Å; L199-I201 VanDerWaalsContact C-N 3.31Å; L199-I201 HydrophobicContact CB-CD1 3.87Å; L199-I201 HydrophobicContact CB-CG1 4.27Å; L199-I201 HydrophobicContact CD1-CD1 4.24Å; L199-I201 PolarHBondContact O-N 3.03Å
200	G	87.5	Confident	91.9	Very high	32 Å²	32	19.2 Å²	19.2	33%	0.33	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	16.7	-178	0	0	0	0	0	114.5	L196 H197 S198 A230	L196-G200 PolarHBondContact O-N 3.25Å; H197-G200 WeakPolarHBondContact O-CA 3.44Å; H197-G200 PolarHBondContact O-N 3.25Å; S198-G200 VanDerWaalsContact C-N 3.31Å; G200-A230 PolarHBondContact O-N 3.49Å
201	I	89.1	Confident	91.7	Very high	8 Å²	8	19.2 Å²	19.2	4%	0.041	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.3	180	-61.7	160	0	0	0	109.3	I133 V137 L196 H197 L199 C227 E229	I133-I201 HydrophobicContact CD1-CG2 4.24Å; I133-I201 HydrophobicContact CG1-CD1 4.36Å; I133-I201 HydrophobicContact CG2-CD1 3.88Å; I133-I201 HydrophobicContact CG2-CG2 4.39Å; V137-I201 HydrophobicContact CG2-CD1 3.97Å; L196-I201 CarbonylContact C-O 3.56Å; L196-I201 HydrophobicContact CB-CB 4.35Å; L196-I201 HydrophobicContact CD2-CD1 4.41Å; L196-I201 HydrophobicContact CD2-CG2 4.49Å; L196-I201 WeakPolarHBondContact O-CB 3.13Å; L196-I201 PolarHBondContact O-N 3.24Å; H197-I201 PolarHBondContact CD2-O 3.15Å; L199-I201 VanDerWaalsContact C-N 3.31Å; L199-I201 HydrophobicContact CB-CD1 3.87Å; L199-I201 HydrophobicContact CB-CG1 4.27Å; L199-I201 HydrophobicContact CD1-CD1 4.24Å; L199-I201 PolarHBondContact O-N 3.03Å; I201-C227 HydrophobicContact CG2-CB 4.07Å; I201-E229 HydrophobicContact CG1-CG 4.3Å
202	I	90.3	Very high	91.5	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.021	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	127.3	172.4	-47.2	170.8	0	0	0	108.3	R204 C227 K228 A237	I202-R204 HydrophobicContact CB-CG 3.97Å; I202-R204 HydrophobicContact CG2-CG 3.38Å; I202-C227 VanDerWaalsContact O-CA 3.28Å; I202-C227 WeakPolarHBondContact O-CA 3.45Å; I202-K228 PolarHBondContact N-O 3.22Å; I202-K228 PolarHBondContact O-N 3.42Å; I202-K228 VanDerWaalsContact O-N 3.08Å; I202-A237 HydrophobicContact CD1-CB 4.27Å
203	Y	90.9	Very high	91.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.			trans	-76.3	-49.8	-172.4	-177.7	-106.4	0	0	0	112.9	L193 L196 D205 L206 N210 L221 T222 F224 C227 D262	L193-Y203 HydrophobicContact CD2-CG 4.43Å; L196-Y203 HydrophobicContact CD1-CD2 4.14Å; Y203-D205 VanDerWaalsContact C-N 3.28Å; Y203-D205 WeakPolarHBondContact CE1-O 3.48Å; Y203-D205 PolarHBondContact O-N 3.07Å; Y203-L206 HydrophobicContact CD1-CB 3.99Å; Y203-L206 HydrophobicContact CD1-CD1 4.22Å; Y203-L206 HydrophobicContact CE1-CB 4.12Å; Y203-L206 HydrophobicContact CE1-CD1 4.08Å; Y203-N210 VanDerWaalsContact OH-CB 3.23Å; Y203-N210 WeakPolarHBondContact OH-CB 3.38Å; Y203-L221 HydrophobicContact CE1-CD2 4.05Å; Y203-L221 HydrophobicContact CE2-CD2 4.35Å; Y203-T222 PolarHBondContact OH-O 3.01Å; Y203-F224 HydrophobicContact CD2-CD1 4.4Å; Y203-F224 HydrophobicContact CD2-CE1 4.1Å; Y203-F224 HydrophobicContact CD2-CZ 4.4Å; Y203-F224 HydrophobicContact CE2-CD1 4.46Å; Y203-F224 HydrophobicContact CE2-CE1 4.24Å; Y203-F224 HydrophobicContact CE2-CE2 4.38Å; Y203-F224 HydrophobicContact CE2-CZ 4.17Å; Y203-C227 VanDerWaalsContact CD2-SG 3.52Å; Y203-C227 PolarHBondContact O-SG 3.11Å; Y203-D262 PolarHBondContact N-OD2 3.44Å
204	R	89.6	Confident	90.9	Very high	27 Å²	27	20.3 Å²	20.3	10%	0.102	12%	0.117	C	C	.	.			trans	66.9	-0.4	169.5	-51.5	-170.5	-62.9	176.9	0.5	118.7	I202 L226 C227 K228 C241 H257 D262	I202-R204 HydrophobicContact CB-CG 3.97Å; I202-R204 HydrophobicContact CG2-CG 3.38Å; R204-L226 PolarHBondContact NE-O 3.25Å; R204-L226 PolarHBondContact NH2-O 3.36Å; R204-C227 PolarHBondContact NH2-O 2.85Å; R204-K228 VanDerWaalsContact CZ-CB 3.44Å; R204-C241 VanDerWaalsContact CZ-SG 3.56Å; R204-H257 WeakPolarHBondContact CD-NE2 3.19Å; R204-D262 WeakPolarHBondContact CA-OD1 3.36Å; R204-D262 PolarHBondContact N-OD1 3.4Å
205	D	87.9	Confident	90.3	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.021	12%	0.116	C	C	.	.			trans	-135.8	41.6	177.6	-160.8	32.4	0	0	0	112.3	Y203 K207 N210 L226 T243	Y203-D205 VanDerWaalsContact C-N 3.28Å; Y203-D205 WeakPolarHBondContact CE1-O 3.48Å; Y203-D205 PolarHBondContact O-N 3.07Å; D205-K207 PolarHBondContact O-N 3.35Å; D205-K207 IonicContact OD1-NZ 3.27Å; D205-K207 PolarHBondContact OD1-NZ 2.81Å; D205-K207 IonicContact OD2-NZ 2.7Å; D205-K207 PolarHBondContact OD2-NZ 3.38Å; D205-N210 VanDerWaalsContact CG-ND2 3.34Å; D205-N210 PolarHBondContact O-ND2 3.45Å; D205-N210 PolarHBondContact OD2-ND2 3.44Å; D205-L226 HydrophobicContact CB-CB 4.24Å; D205-L226 HydrophobicContact CB-CD1 3.91Å; D205-T243 PolarHBondContact OD1-N 3.48Å
206	L	93.3	Very high	89.8	Confident	1 Å²	1	21.4 Å²	21.4	1%	0.005	12%	0.12	C	C	.	.			trans	-71.6	115	179	-167.3	75.5	0	0	0	111.1	L189 L193 Y203 I211 L221 Y246 F266 L269	L189-L206 HydrophobicContact CD1-CD1 3.74Å; L189-L206 HydrophobicContact CD2-CD1 3.89Å; L189-L206 HydrophobicContact CD2-CD2 4.02Å; L189-L206 HydrophobicContact CD2-CG 4.39Å; L189-L206 HydrophobicContact CG-CD1 4.24Å; L193-L206 HydrophobicContact CD1-CD2 4.25Å; Y203-L206 HydrophobicContact CD1-CB 3.99Å; Y203-L206 HydrophobicContact CD1-CD1 4.22Å; Y203-L206 HydrophobicContact CE1-CB 4.12Å; Y203-L206 HydrophobicContact CE1-CD1 4.08Å; L206-I211 HydrophobicContact CD1-CD1 4.34Å; L206-L221 HydrophobicContact CD1-CD2 3.77Å; L206-Y246 WeakPolarHBondContact O-CD1 3.41Å; L206-F266 HydrophobicContact CD2-CB 3.96Å; L206-L269 HydrophobicContact CD2-CD2 4.37Å; L206-L269 HydrophobicContact CG-CD2 4.38Å
207	K	90.1	Very high	89.6	Confident	6 Å²	6	21.4 Å²	21.4	3%	0.026	12%	0.12	C	C	.	.	S	Bend	trans	-160.1	158.6	178.3	64.6	-169.7	179.3	-140.2	0	110.2	D205 E209 N210 T243 Y246	D205-K207 PolarHBondContact O-N 3.35Å; D205-K207 IonicContact OD1-NZ 3.27Å; D205-K207 PolarHBondContact OD1-NZ 2.81Å; D205-K207 IonicContact OD2-NZ 2.7Å; D205-K207 PolarHBondContact OD2-NZ 3.38Å; K207-E209 WeakPolarHBondContact CB-OE2 3.42Å; K207-E209 HydrophobicContact CD-CB 4.43Å; K207-E209 HydrophobicContact CG-CB 4.22Å; K207-E209 VanDerWaalsContact CG-OE2 3.28Å; K207-E209 WeakPolarHBondContact CG-OE2 3.46Å; K207-E209 PolarHBondContact O-N 2.94Å; K207-E209 VanDerWaalsContact O-N 3.1Å; K207-N210 WeakPolarHBondContact CE-ND2 3.11Å; K207-N210 VanDerWaalsContact CE-OD1 3.28Å; K207-N210 WeakPolarHBondContact CE-OD1 3.47Å; K207-N210 HydrophobicContact CG-CB 4.28Å; K207-N210 PolarHBondContact O-N 3.16Å; K207-T243 WeakPolarHBondContact CD-OG1 3.32Å; K207-T243 PolarHBondContact NZ-OG1 3.16Å; K207-Y246 HydrophobicContact CB-CD1 4.31Å; K207-Y246 HydrophobicContact CB-CD2 4.18Å; K207-Y246 HydrophobicContact CB-CE1 4.07Å; K207-Y246 HydrophobicContact CB-CE2 3.91Å; K207-Y246 HydrophobicContact CB-CG 4.37Å
208	P	88.6	Confident	89.7	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-59.1	-25.6	-177.8	-16.7	25.2	0	0	0	113.8	L167 F168 N210 I211 Y246 L269 E272	L167-P208 HydrophobicContact CB-CB 4.34Å; L167-P208 WeakPolarHBondContact CB-O 3.47Å; L167-P208 PolarHBondContact N-O 3.45Å; F168-P208 HydrophobicContact CB-CB 3.83Å; F168-P208 HydrophobicContact CD2-CB 4.48Å; F168-P208 PolarHBondContact N-O 3.24Å; P208-N210 VanDerWaalsContact C-N 3.3Å; P208-N210 PolarHBondContact O-N 3.03Å; P208-I211 PolarHBondContact O-N 3.17Å; P208-Y246 WeakPolarHBondContact CD-OH 3.39Å; P208-L269 HydrophobicContact CB-CD1 4.22Å; P208-L269 HydrophobicContact CG-CD1 3.53Å; P208-E272 WeakPolarHBondContact CD-OE2 3.49Å; P208-E272 WeakPolarHBondContact CG-OE2 3.35Å
209	E	86.9	Confident	89.9	Confident	22 Å²	22	16.5 Å²	16.5	10%	0.103	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-70.3	-22.9	177.9	-60.8	93.2	147.3	0	0	114.1	F168 K207 R743	F168-E209 HydrophobicContact CB-CG 3.9Å; F168-E209 HydrophobicContact CD2-CG 4.32Å; F168-E209 HydrophobicContact CG-CG 4.02Å; K207-E209 WeakPolarHBondContact CB-OE2 3.42Å; K207-E209 HydrophobicContact CD-CB 4.43Å; K207-E209 HydrophobicContact CG-CB 4.22Å; K207-E209 VanDerWaalsContact CG-OE2 3.28Å; K207-E209 WeakPolarHBondContact CG-OE2 3.46Å; K207-E209 PolarHBondContact O-N 2.94Å; K207-E209 VanDerWaalsContact O-N 3.1Å; E209-R743 IonicContact OE1-CZ 3.34Å; E209-R743 IonicContact OE1-NE 2.87Å; E209-R743 IonicContact OE1-NH2 3.74Å; E209-R743 PolarHBondContact OE1-NH2 3.44Å; E209-R743 IonicContact OE2-NH2 3.58Å; E209-R743 PolarHBondContact OE2-NH2 2.84Å
210	N	90.9	Very high	90.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-102.2	10.1	-179.3	-66.1	-4.7	0	0	0	112.6	Y203 D205 K207 P208 T222	Y203-N210 VanDerWaalsContact OH-CB 3.23Å; Y203-N210 WeakPolarHBondContact OH-CB 3.38Å; D205-N210 VanDerWaalsContact CG-ND2 3.34Å; D205-N210 PolarHBondContact O-ND2 3.45Å; D205-N210 PolarHBondContact OD2-ND2 3.44Å; K207-N210 WeakPolarHBondContact CE-ND2 3.11Å; K207-N210 VanDerWaalsContact CE-OD1 3.28Å; K207-N210 WeakPolarHBondContact CE-OD1 3.47Å; K207-N210 HydrophobicContact CG-CB 4.28Å; K207-N210 PolarHBondContact O-N 3.16Å; P208-N210 VanDerWaalsContact C-N 3.3Å; P208-N210 PolarHBondContact O-N 3.03Å; N210-T222 WeakPolarHBondContact O-CG2 3.39Å; N210-T222 PolarHBondContact O-N 3.47Å
211	I	94.3	Very high	90.7	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.005	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	111.2	174.2	-58.7	169.8	0	0	0	106.3	L167 L189 L206 P208 I219 L221 L269	L167-I211 HydrophobicContact CB-CB 4.05Å; L167-I211 HydrophobicContact CB-CG2 4.2Å; L167-I211 WeakPolarHBondContact CB-O 3.42Å; L167-I211 HydrophobicContact CD2-CB 4.21Å; L167-I211 HydrophobicContact CD2-CD1 4.07Å; L167-I211 HydrophobicContact CD2-CG2 4.04Å; L167-I211 PolarHBondContact N-O 3.21Å; L189-I211 HydrophobicContact CD1-CD1 4.34Å; L189-I211 HydrophobicContact CD2-CD1 4.06Å; L206-I211 HydrophobicContact CD1-CD1 4.34Å; P208-I211 PolarHBondContact O-N 3.17Å; I211-I219 HydrophobicContact CG2-CB 3.59Å; I211-I219 HydrophobicContact CG2-CD1 3.98Å; I211-I219 HydrophobicContact CG2-CG1 4.41Å; I211-I219 HydrophobicContact CG2-CG2 3.59Å; I211-L221 HydrophobicContact CG1-CD2 4.16Å; I211-L269 HydrophobicContact CD1-CD1 4.35Å; I211-L269 HydrophobicContact CD1-CD2 3.39Å
212	L	93.2	Very high	90.7	Very high	32 Å²	32	12.4 Å²	12.4	17%	0.168	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	156.7	178.8	-59.9	-172.3	0	0	0	110.3	L162 G165 D166 I219 K220 T222	L162-L212 HydrophobicContact CB-CB 3.97Å; L162-L212 HydrophobicContact CB-CD1 4.26Å; L162-L212 HydrophobicContact CD1-CB 3.59Å; L162-L212 HydrophobicContact CD1-CD1 4.01Å; L162-L212 HydrophobicContact CD1-CG 4.35Å; L162-L212 HydrophobicContact CG-CB 4.44Å; G165-L212 CarbonylContact O-C 3.54Å; G165-L212 VanDerWaalsContact O-CA 3.29Å; G165-L212 WeakPolarHBondContact O-CA 3.48Å; D166-L212 HydrophobicContact CB-CD2 3.54Å; L212-I219 CarbonylContact O-C 3.15Å; L212-I219 VanDerWaalsContact O-CA 3.27Å; L212-I219 WeakPolarHBondContact O-CA 3.22Å; L212-K220 PolarHBondContact N-O 3.3Å; L212-K220 PolarHBondContact O-N 2.91Å; L212-T222 HydrophobicContact CD1-CG2 3.86Å; L212-T222 HydrophobicContact CG-CG2 3.73Å
213	L	90.9	Very high	90.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138.1	176.6	-67.3	159.2	0	0	0	110	L162 G164 G165 L167 Y185 G217 H218 I219 F356	L162-L213 CarbonylContact C-O 3.49Å; G164-L213 VanDerWaalsContact CA-O 3.24Å; G164-L213 WeakPolarHBondContact CA-O 3.49Å; G164-L213 PolarHBondContact N-O 3.41Å; G165-L213 PolarHBondContact O-N 3.4Å; L167-L213 HydrophobicContact CD1-CD1 4.47Å; Y185-L213 HydrophobicContact CE1-CD2 3.79Å; L213-G217 VanDerWaalsContact CD2-O 3.24Å; L213-G217 WeakPolarHBondContact CD2-O 3.28Å; L213-H218 WeakPolarHBondContact CA-O 3.47Å; L213-I219 HydrophobicContact CD2-CG2 3.72Å; L213-F356 HydrophobicContact CD1-CD1 4.22Å; L213-F356 HydrophobicContact CD1-CE1 4.35Å
214	D	89.6	Confident	90	Very high	5 Å²	5	12.3 Å²	12.3	3%	0.027	6%	0.058	C	C	.	.			trans	-79	-179.5	166.8	67.7	22.9	0	0	0	111.8	L162 E216 G217 H218 R350 P358	L162-D214 HydrophobicContact CD2-CB 4.13Å; D214-E216 VanDerWaalsContact C-N 3.26Å; D214-E216 PolarHBondContact O-N 3.23Å; D214-E216 WeakPolarHBondContact OD1-CA 3.16Å; D214-E216 PolarHBondContact OD1-N 3.44Å; D214-G217 PolarHBondContact O-N 2.96Å; D214-G217 VanDerWaalsContact O-N 3.16Å; D214-G217 PolarHBondContact OD1-N 2.81Å; D214-H218 PolarHBondContact N-O 2.69Å; D214-H218 PolarHBondContact OD1-N 2.88Å; D214-H218 WeakPolarHBondContact OD2-CB 3.08Å; D214-R350 IonicContact OD1-NH2 2.82Å; D214-R350 IonicContact OD2-CZ 2.74Å; D214-R350 IonicContact OD2-NE 2.91Å; D214-R350 IonicContact OD2-NH2 2.72Å; D214-R350 PolarHBondContact OD2-NH2 2.82Å; D214-P358 VanDerWaalsContact O-CG 3.31Å; D214-P358 WeakPolarHBondContact O-CG 3.03Å
215	E	84.1	Confident	89.2	Confident	49 Å²	49	11.5 Å²	11.5	23%	0.229	6%	0.058	C	C	.	.	S	Bend	trans	-64	-22.6	179	57.9	-93.1	-137.9	0	0	115.4	R163 V360	R163-E215 IonicContact CZ-OE1 3.51Å; R163-E215 IonicContact CZ-OE2 3.74Å; R163-E215 IonicContact NE-OE2 3.12Å; R163-E215 PolarHBondContact NE-OE2 3.44Å; R163-E215 IonicContact NH2-OE1 2.73Å; R163-E215 PolarHBondContact NH2-OE1 2.97Å; R163-E215 IonicContact NH2-OE2 3.82Å; R163-E215 PolarHBondContact NH2-OE2 2.88Å; E215-V360 HydrophobicContact CB-CG2 3.87Å
216	E	84.5	Confident	88.4	Confident	64 Å²	64	12.1 Å²	12.1	30%	0.299	6%	0.061	S	C	.	.	S	Bend	trans	-85.8	-23.1	175.2	-75.1	80.9	-139.3	0	0	111.1	D214 R350 P354	D214-E216 VanDerWaalsContact C-N 3.26Å; D214-E216 PolarHBondContact O-N 3.23Å; D214-E216 WeakPolarHBondContact OD1-CA 3.16Å; D214-E216 PolarHBondContact OD1-N 3.44Å; E216-R350 IonicContact OE2-CZ 3.73Å; E216-R350 IonicContact OE2-NH2 2.67Å; E216-R350 PolarHBondContact OE2-NH2 2.85Å; E216-P354 WeakPolarHBondContact O-CG 3.29Å
217	G	87.9	Confident	87.7	Confident	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.062	C	C	.	.	S	Bend	trans	99.9	14.2	-177.9	0	0	0	0	0	114.5	L213 D214 F356	L213-G217 VanDerWaalsContact CD2-O 3.24Å; L213-G217 WeakPolarHBondContact CD2-O 3.28Å; D214-G217 PolarHBondContact O-N 2.96Å; D214-G217 VanDerWaalsContact O-N 3.16Å; D214-G217 PolarHBondContact OD1-N 2.81Å; G217-F356 VanDerWaalsContact CA-O 3.3Å; G217-F356 WeakPolarHBondContact CA-O 3.49Å
218	H	94.4	Very high	87	Confident	7 Å²	7	14.8 Å²	14.8	3%	0.032	7%	0.073	C	C	.	.			trans	-78.8	148.6	169.9	-62.5	-83.2	0	0	0	110.1	F141 F184 E188 L213 D214 R350 V352 P354	F141-H218 HydrophobicContact CE1-CB 4.19Å; F184-H218 AromaticContact CZ-ND1 3.83Å; E188-H218 IonicContact OE1-CE1 2.69Å; E188-H218 IonicContact OE1-CG 3.48Å; E188-H218 IonicContact OE1-ND1 2.97Å; E188-H218 PolarHBondContact OE1-ND1 3.14Å; L213-H218 WeakPolarHBondContact CA-O 3.47Å; D214-H218 PolarHBondContact N-O 2.69Å; D214-H218 PolarHBondContact OD1-N 2.88Å; D214-H218 WeakPolarHBondContact OD2-CB 3.08Å; H218-R350 PolarHBondContact CD2-NE 2.96Å; H218-V352 PolarHBondContact CE1-O 2.83Å; H218-P354 VanDerWaalsContact CE1-CG 3.47Å; H218-P354 WeakPolarHBondContact CE1-CG 3.49Å; H218-P354 WeakPolarHBondContact NE2-CG 3.43Å
219	I	95.8	Very high	86	Confident	2 Å²	2	18.9 Å²	18.9	1%	0.01	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	151.6	179.6	63.7	155.7	0	0	0	112.3	F141 Y185 E188 L189 I211 L212 L213	F141-I219 WeakPolarHBondContact CA-O 3.48Å; F141-I219 WeakPolarHBondContact CD1-O 3.46Å; Y185-I219 HydrophobicContact CD1-CG2 3.47Å; Y185-I219 VanDerWaalsContact CD1-CG2 3.47Å; Y185-I219 HydrophobicContact CE1-CG2 3.94Å; Y185-I219 HydrophobicContact CG-CG2 4.29Å; E188-I219 HydrophobicContact CB-CD1 3.92Å; E188-I219 HydrophobicContact CB-CG1 3.56Å; E188-I219 HydrophobicContact CG-CG1 4.5Å; E188-I219 WeakPolarHBondContact OE2-CG1 3.21Å; E188-I219 PolarHBondContact OE2-N 3.17Å; L189-I219 HydrophobicContact CB-CD1 3.68Å; L189-I219 HydrophobicContact CD1-CD1 4Å; L189-I219 HydrophobicContact CG-CD1 4.41Å; I211-I219 HydrophobicContact CG2-CB 3.59Å; I211-I219 HydrophobicContact CG2-CD1 3.98Å; I211-I219 HydrophobicContact CG2-CG1 4.41Å; I211-I219 HydrophobicContact CG2-CG2 3.59Å; L212-I219 CarbonylContact O-C 3.15Å; L212-I219 VanDerWaalsContact O-CA 3.27Å; L212-I219 WeakPolarHBondContact O-CA 3.22Å; L213-I219 HydrophobicContact CD2-CG2 3.72Å
220	K	96.3	Very high	84.8	Confident	29 Å²	29	19.1 Å²	19.1	13%	0.126	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	132.8	161.1	-58.4	-154.1	-179.4	-157.7	0	111.3	P140 F141 D160 L162 L212	P140-K220 VanDerWaalsContact O-CE 3.28Å; P140-K220 WeakPolarHBondContact O-CE 3.34Å; F141-K220 WeakPolarHBondContact O-CA 3.42Å; D160-K220 IonicContact OD2-NZ 3Å; D160-K220 PolarHBondContact OD2-NZ 3.09Å; L162-K220 HydrophobicContact CD1-CB 3.67Å; L162-K220 HydrophobicContact CD1-CD 4.15Å; L162-K220 HydrophobicContact CD1-CG 4.15Å; L162-K220 HydrophobicContact CD2-CD 3.76Å; L162-K220 HydrophobicContact CD2-CG 4.13Å; L212-K220 PolarHBondContact N-O 3.3Å; L212-K220 PolarHBondContact O-N 2.91Å
221	L	95.2	Very high	82.9	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	132.3	168.1	-79.3	173.1	0	0	0	110.4	F141 V142 V143 L189 L193 L196 Y203 L206 I211 F224	F141-L221 PolarHBondContact O-N 3.38Å; V142-L221 HydrophobicContact CG2-CB 4.46Å; V143-L221 WeakPolarHBondContact CB-O 3.36Å; V143-L221 WeakPolarHBondContact CG1-O 3.38Å; V143-L221 PolarHBondContact N-O 2.72Å; L189-L221 HydrophobicContact CD1-CD1 3.86Å; L189-L221 HydrophobicContact CD1-CD2 3.6Å; L189-L221 HydrophobicContact CD1-CG 3.73Å; L193-L221 HydrophobicContact CD2-CD1 4.15Å; L193-L221 HydrophobicContact CG-CD1 4.43Å; L196-L221 HydrophobicContact CD1-CD1 4.2Å; Y203-L221 HydrophobicContact CE1-CD2 4.05Å; Y203-L221 HydrophobicContact CE2-CD2 4.35Å; L206-L221 HydrophobicContact CD1-CD2 3.77Å; I211-L221 HydrophobicContact CG1-CD2 4.16Å; L221-F224 HydrophobicContact CB-CZ 4.3Å
222	T	90.9	Very high	81	Confident	7 Å²	7	28 Å²	28	4%	0.043	14%	0.144	C	C	.	.			trans	-128.8	-179.2	176.3	-166.3	0	0	0	0	111.7	M1 Y203 N210 L212	M1-T222 HydrophobicContact SD-CG2 4.31Å; Y203-T222 PolarHBondContact OH-O 3.01Å; N210-T222 WeakPolarHBondContact O-CG2 3.39Å; N210-T222 PolarHBondContact O-N 3.47Å; L212-T222 HydrophobicContact CD1-CG2 3.86Å; L212-T222 HydrophobicContact CG-CG2 3.73Å
223	D	82.9	Confident	79	Confident	2 Å²	2	36 Å²	36	1%	0.011	18%	0.18	C	C	.	.			trans	58.3	72.3	174.6	-155.6	8	0	0	0	115.2	M1 L3 K112 G225	M1-D223 HydrophobicContact CE-CB 4.16Å; M1-D223 HydrophobicContact SD-CB 4.32Å; L3-D223 WeakPolarHBondContact CD2-OD1 3.42Å; L3-D223 WeakPolarHBondContact CD2-OD2 3.33Å; K112-D223 IonicContact NZ-OD1 3.26Å; D223-G225 PolarHBondContact O-N 3.21Å
224	F	83.2	Confident	77.6	Confident	1 Å²	1	41.5 Å²	41.5	0%	0.004	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-85.2	9.7	-176.6	-73.2	-105.8	0	0	0	113.4	E130 I133 L134 V142 V143 L196 Y203 L221 L226 C227	E130-F224 HydrophobicContact CG-CB 4Å; I133-F224 HydrophobicContact CG2-CD1 3.72Å; I133-F224 HydrophobicContact CG2-CE1 4.33Å; I133-F224 HydrophobicContact CG2-CG 4.48Å; L134-F224 HydrophobicContact CD2-CD2 3.6Å; L134-F224 HydrophobicContact CD2-CE2 3.87Å; L134-F224 HydrophobicContact CD2-CG 4.02Å; L134-F224 HydrophobicContact CD2-CZ 4.5Å; L134-F224 HydrophobicContact CG-CB 4.32Å; L134-F224 HydrophobicContact CG-CD2 4.2Å; L134-F224 HydrophobicContact CG-CG 4.24Å; V142-F224 HydrophobicContact CG1-CE1 4.27Å; V142-F224 HydrophobicContact CG1-CE2 3.83Å; V142-F224 HydrophobicContact CG1-CZ 3.36Å; V143-F224 HydrophobicContact CG1-CD2 4.31Å; V143-F224 HydrophobicContact CG1-CE2 3.97Å; L196-F224 HydrophobicContact CD1-CE1 3.79Å; L196-F224 HydrophobicContact CD1-CZ 4.23Å; L196-F224 HydrophobicContact CD2-CE1 3.78Å; L196-F224 HydrophobicContact CD2-CZ 4.47Å; L196-F224 HydrophobicContact CG-CE1 4.46Å; Y203-F224 HydrophobicContact CD2-CD1 4.4Å; Y203-F224 HydrophobicContact CD2-CE1 4.1Å; Y203-F224 HydrophobicContact CD2-CZ 4.4Å; Y203-F224 HydrophobicContact CE2-CD1 4.46Å; Y203-F224 HydrophobicContact CE2-CE1 4.24Å; Y203-F224 HydrophobicContact CE2-CE2 4.38Å; Y203-F224 HydrophobicContact CE2-CZ 4.17Å; L221-F224 HydrophobicContact CB-CZ 4.3Å; F224-L226 PolarHBondContact O-N 3Å; F224-L226 VanDerWaalsContact O-N 3.07Å; F224-C227 VanDerWaalsContact CA-SG 3.56Å; F224-C227 HydrophobicContact CB-CB 4.43Å; F224-C227 HydrophobicContact CD1-CB 4.28Å; F224-C227 WeakPolarHBondContact CD1-SG 3.05Å; F224-C227 WeakPolarHBondContact O-CB 3.42Å; F224-C227 PolarHBondContact O-N 3.26Å
225	G	71.6	Confident	76.5	Confident	10 Å²	10	48.3 Å²	48.3	10%	0.103	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-64.1	-13.8	-176.9	0	0	0	0	0	115.3	R126 D223	R126-G225 WeakPolarHBondContact CB-O 3.34Å; R126-G225 WeakPolarHBondContact CG-O 3.47Å; D223-G225 PolarHBondContact O-N 3.21Å
226	L	71.1	Confident	76	Confident	16 Å²	16	49.3 Å²	49.3	8%	0.084	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-111.1	1.7	174.4	-64.2	-177.6	0	0	0	113.4	R204 D205 F224 C241	R204-L226 PolarHBondContact NE-O 3.25Å; R204-L226 PolarHBondContact NH2-O 3.36Å; D205-L226 HydrophobicContact CB-CB 4.24Å; D205-L226 HydrophobicContact CB-CD1 3.91Å; F224-L226 PolarHBondContact O-N 3Å; F224-L226 VanDerWaalsContact O-N 3.07Å; L226-C241 HydrophobicContact CD2-CB 4.33Å
227	C	78.3	Confident	75.6	Confident	6 Å²	6	46.3 Å²	46.3	4%	0.041	23%	0.225	C	C	.	.			trans	-67.1	158.6	176.7	-60.4	0	0	0	0	111.4	I133 I201 I202 Y203 R204 F224	I133-C227 HydrophobicContact CD1-CB 3.6Å; I201-C227 HydrophobicContact CG2-CB 4.07Å; I202-C227 VanDerWaalsContact O-CA 3.28Å; I202-C227 WeakPolarHBondContact O-CA 3.45Å; Y203-C227 VanDerWaalsContact CD2-SG 3.52Å; Y203-C227 PolarHBondContact O-SG 3.11Å; R204-C227 PolarHBondContact NH2-O 2.85Å; F224-C227 VanDerWaalsContact CA-SG 3.56Å; F224-C227 HydrophobicContact CB-CB 4.43Å; F224-C227 HydrophobicContact CD1-CB 4.28Å; F224-C227 WeakPolarHBondContact CD1-SG 3.05Å; F224-C227 WeakPolarHBondContact O-CB 3.42Å; F224-C227 PolarHBondContact O-N 3.26Å
228	K	76.4	Confident	75.1	Confident	58 Å²	58	51.5 Å²	51.5	25%	0.252	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	134.8	175.7	174.5	166.7	-174.6	-171.8	0	111.3	I202 R204 A237	I202-K228 PolarHBondContact N-O 3.22Å; I202-K228 PolarHBondContact O-N 3.42Å; I202-K228 VanDerWaalsContact O-N 3.08Å; R204-K228 VanDerWaalsContact CZ-CB 3.44Å; K228-A237 HydrophobicContact CD-CB 3.94Å
229	E	67.7	Low	74.2	Confident	85 Å²	85	53 Å²	53	40%	0.397	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	136.7	165.6	-68.2	172	-175.7	0	0	110.4	I201 I231	I201-E229 HydrophobicContact CG1-CG 4.3Å; E229-I231 HydrophobicContact CB-CD1 3.94Å; E229-I231 HydrophobicContact CB-CG1 3.66Å; E229-I231 PolarHBondContact O-N 2.97Å
230	A	61.5	Low	73.3	Confident	27 Å²	27	53.8 Å²	53.8	22%	0.223	26%	0.26	C	S	.	.			trans	-76.3	71.9	176.3	0	0	0	0	0	111.5	G200 K235	G200-A230 PolarHBondContact O-N 3.49Å; A230-K235 HydrophobicContact CB-CB 3.92Å; A230-K235 HydrophobicContact CB-CG 4.49Å; A230-K235 WeakPolarHBondContact CB-O 3.43Å
231	I	50.8	Low	72.4	Confident	118 Å²	118	52.6 Å²	52.6	61%	0.605	26%	0.255	S	S	*	.			trans	-82	-14.9	-170.8	-56	160.2	0	0	0	113.7	E229	E229-I231 HydrophobicContact CB-CD1 3.94Å; E229-I231 HydrophobicContact CB-CG1 3.66Å; E229-I231 PolarHBondContact O-N 2.97Å
232	D	54.2	Low	71.6	Confident	69 Å²	69	53.3 Å²	53.3	37%	0.369	26%	0.263	S	S	.	.	S	Bend	trans	-73.8	155.7	-177.9	-166.4	6.2	0	0	0	112.2	E234 K235	D232-E234 PolarHBondContact O-N 3.15Å; D232-E234 VanDerWaalsContact O-N 3.09Å; D232-K235 WeakPolarHBondContact O-CA 3.18Å; D232-K235 PolarHBondContact O-N 3.48Å
233	H	52.6	Low	71.3	Confident	200 Å²	200	54.5 Å²	54.5	93%	0.926	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.2	175.9	-74.8	-70.2	0	0	0	112.6
234	E	59.9	Low	71.5	Confident	116 Å²	116	55.3 Å²	55.3	54%	0.542	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	3.4	172.6	-62.1	-167.2	-179.6	0	0	114.4	D232 K236	D232-E234 PolarHBondContact O-N 3.15Å; D232-E234 VanDerWaalsContact O-N 3.09Å; E234-K236 HydrophobicContact CB-CD 4.24Å; E234-K236 HydrophobicContact CB-CG 4.36Å; E234-K236 PolarHBondContact O-N 3Å; E234-K236 WeakPolarHBondContact OE2-CE 3.26Å; E234-K236 IonicContact OE2-NZ 2.74Å; E234-K236 PolarHBondContact OE2-NZ 2.9Å
235	K	68.1	Low	72	Confident	149 Å²	149	57.6 Å²	57.6	65%	0.648	29%	0.286	S	S	*	.			trans	54.9	29.6	-175.7	-64.2	-175.3	179	-176.8	0	114.5	A230 D232 I258	A230-K235 HydrophobicContact CB-CB 3.92Å; A230-K235 HydrophobicContact CB-CG 4.49Å; A230-K235 WeakPolarHBondContact CB-O 3.43Å; D232-K235 WeakPolarHBondContact O-CA 3.18Å; D232-K235 PolarHBondContact O-N 3.48Å; K235-I258 WeakPolarHBondContact O-CG2 3.42Å
236	K	73.2	Confident	73	Confident	70 Å²	70	57.4 Å²	57.4	30%	0.304	28%	0.282	S	S	.	.			trans	-103.9	150.8	-177.2	-73.9	174.2	-170.2	161.7	0	113.7	E234 Y238 I258	E234-K236 HydrophobicContact CB-CD 4.24Å; E234-K236 HydrophobicContact CB-CG 4.36Å; E234-K236 PolarHBondContact O-N 3Å; E234-K236 WeakPolarHBondContact OE2-CE 3.26Å; E234-K236 IonicContact OE2-NZ 2.74Å; E234-K236 PolarHBondContact OE2-NZ 2.9Å; K236-Y238 HydrophobicContact CB-CE2 4.02Å; K236-I258 HydrophobicContact CG-CG2 3.79Å
237	A	76.1	Confident	74.1	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-111.1	133.4	167.7	0	0	0	0	0	110.9	I202 K228 G256 H257	I202-A237 HydrophobicContact CD1-CB 4.27Å; K228-A237 HydrophobicContact CD-CB 3.94Å; A237-G256 CarbonylContact O-C 3.52Å; A237-G256 VanDerWaalsContact O-CA 3.26Å; A237-G256 WeakPolarHBondContact O-CA 3.17Å; A237-H257 WeakPolarHBondContact CB-NE2 3.23Å; A237-H257 PolarHBondContact N-O 3.49Å; A237-H257 PolarHBondContact O-CE1 3.27Å; A237-H257 PolarHBondContact O-N 3.14Å; A237-H257 PolarHBondContact O-ND1 3.08Å
238	Y	77	Confident	74.9	Confident	110 Å²	110	56.8 Å²	56.8	43%	0.431	28%	0.278	S	S	.	.			trans	-107.2	-1.2	-176.8	-63.2	-84.5	0	0	0	114.2	K236 F240	K236-Y238 HydrophobicContact CB-CE2 4.02Å; Y238-F240 PolarHBondContact O-N 3.01Å
239	S	75.6	Confident	75.7	Confident	39 Å²	39	54.4 Å²	54.4	27%	0.273	27%	0.268	S	S	.	.			trans	-73.4	129.5	-175.7	-56.4	0	0	0	0	112.1	C241 H257	S239-C241 PolarHBondContact O-N 3.38Å; S239-H257 PolarHBondContact O-CE1 3.08Å; S239-H257 VanDerWaalsContact O-CE1 3.3Å
240	F	77.3	Confident	76.9	Confident	18 Å²	18	50.7 Å²	50.7	8%	0.079	25%	0.251	C	S	.	.			trans	-75.5	104	165.2	-171.8	-79.5	0	0	0	109.2	I6 Y238 V244 M247 R254 M289	I6-F240 HydrophobicContact CD1-CD1 4.41Å; Y238-F240 PolarHBondContact O-N 3.01Å; F240-V244 HydrophobicContact CZ-CG2 4.5Å; F240-M247 HydrophobicContact CD1-CE 4.32Å; F240-M247 HydrophobicContact CE1-CE 3.68Å; F240-M247 HydrophobicContact CE1-SD 3.93Å; F240-M247 HydrophobicContact CE2-SD 3.86Å; F240-M247 HydrophobicContact CZ-CE 3.86Å; F240-M247 HydrophobicContact CZ-SD 3.47Å; F240-M247 WeakPolarHBondContact CZ-SD 3.48Å; F240-R254 HydrophobicContact CD2-CG 4.25Å; F240-M289 HydrophobicContact CE1-CE 4.35Å; F240-M289 HydrophobicContact CE2-CE 3.93Å; F240-M289 HydrophobicContact CZ-CE 3.4Å; F240-M289 VanDerWaalsContact CZ-CE 3.4Å
241	C	76.4	Confident	78.4	Confident	4 Å²	4	49.8 Å²	49.8	3%	0.027	24%	0.243	C	C	.	.			trans	-154.5	160.7	-179.5	57	0	0	0	0	112.1	R204 L226 S239 M247	R204-C241 VanDerWaalsContact CZ-SG 3.56Å; L226-C241 HydrophobicContact CD2-CB 4.33Å; S239-C241 PolarHBondContact O-N 3.38Å; C241-M247 VanDerWaalsContact O-CE 3.23Å; C241-M247 WeakPolarHBondContact O-CE 3.39Å
242	G	78.9	Confident	80.2	Confident	15 Å²	15	45 Å²	45	16%	0.155	22%	0.219	C	C	.	.	S	Bend	trans	108.8	179.6	-174.6	0	0	0	0	0	112.6	M247	G242-M247 WeakPolarHBondContact O-CE 3.25Å
243	T	84.3	Confident	81.8	Confident	31 Å²	31	45.4 Å²	45.4	19%	0.19	22%	0.221	C	C	.	.			trans	-80.4	125.2	169.7	-60.5	0	0	0	0	109.9	D205 K207 E245 Y246 M247	D205-T243 PolarHBondContact OD1-N 3.48Å; K207-T243 WeakPolarHBondContact CD-OG1 3.32Å; K207-T243 PolarHBondContact NZ-OG1 3.16Å; T243-E245 HydrophobicContact CG2-CB 4.49Å; T243-E245 WeakPolarHBondContact CG2-OE2 3.27Å; T243-E245 PolarHBondContact O-N 2.94Å; T243-E245 VanDerWaalsContact O-N 3.15Å; T243-Y246 HydrophobicContact CG2-CD2 3.75Å; T243-Y246 HydrophobicContact CG2-CE2 4.08Å; T243-Y246 PolarHBondContact O-N 2.77Å; T243-M247 WeakPolarHBondContact O-CG 3.38Å; T243-M247 PolarHBondContact O-N 3.35Å
244	V	87.7	Confident	83.4	Confident	19 Å²	19	43.1 Å²	43.1	12%	0.115	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-54.3	-41.3	-169	174.3	0	0	0	0	112.2	F240 Y246 M247 R285 T288 M289 I292	F240-V244 HydrophobicContact CZ-CG2 4.5Å; V244-Y246 PolarHBondContact O-N 3.37Å; V244-M247 HydrophobicContact CG2-CE 4.22Å; V244-M247 WeakPolarHBondContact O-CB 3.41Å; V244-M247 PolarHBondContact O-N 3.17Å; V244-M247 VanDerWaalsContact O-N 3.1Å; V244-R285 HydrophobicContact CG1-CG 4.28Å; V244-R285 HydrophobicContact CG2-CG 4.12Å; V244-T288 HydrophobicContact CG1-CG2 3.99Å; V244-M289 HydrophobicContact CG1-CE 4.25Å; V244-M289 HydrophobicContact CG1-CG 3.96Å; V244-M289 HydrophobicContact CG2-CE 4.35Å; V244-I292 HydrophobicContact CG1-CD1 4.49Å; V244-I292 WeakPolarHBondContact O-CD1 3.36Å
245	E	92.4	Very high	84.3	Confident	50 Å²	50	43.8 Å²	43.8	23%	0.234	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-62.5	-23.6	-178.3	-64.1	81.6	174.2	0	0	113.3	T243 L278 T288	T243-E245 HydrophobicContact CG2-CB 4.49Å; T243-E245 WeakPolarHBondContact CG2-OE2 3.27Å; T243-E245 PolarHBondContact O-N 2.94Å; T243-E245 VanDerWaalsContact O-N 3.15Å; E245-L278 HydrophobicContact CB-CD1 3.79Å; E245-L278 HydrophobicContact CB-CD2 4.36Å; E245-L278 HydrophobicContact CG-CD1 3.79Å; E245-T288 HydrophobicContact CG-CG2 4.17Å
246	Y	94.3	Very high	84.9	Confident	6 Å²	6	37 Å²	37	2%	0.024	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-102.5	-5.2	178.1	-61.8	-101.5	0	0	0	112.7	L206 K207 P208 T243 V244 S265 V268 E272 L278	L206-Y246 WeakPolarHBondContact O-CD1 3.41Å; K207-Y246 HydrophobicContact CB-CD1 4.31Å; K207-Y246 HydrophobicContact CB-CD2 4.18Å; K207-Y246 HydrophobicContact CB-CE1 4.07Å; K207-Y246 HydrophobicContact CB-CE2 3.91Å; K207-Y246 HydrophobicContact CB-CG 4.37Å; P208-Y246 WeakPolarHBondContact CD-OH 3.39Å; T243-Y246 HydrophobicContact CG2-CD2 3.75Å; T243-Y246 HydrophobicContact CG2-CE2 4.08Å; T243-Y246 PolarHBondContact O-N 2.77Å; V244-Y246 PolarHBondContact O-N 3.37Å; Y246-S265 PolarHBondContact O-OG 2.91Å; Y246-V268 HydrophobicContact CD1-CB 3.81Å; Y246-V268 HydrophobicContact CD1-CG1 3.39Å; Y246-V268 HydrophobicContact CE1-CB 4.36Å; Y246-V268 HydrophobicContact CE1-CG1 3.64Å; Y246-V268 HydrophobicContact CG-CB 4.46Å; Y246-V268 HydrophobicContact CG-CG1 3.91Å; Y246-E272 PolarHBondContact OH-OE1 3.45Å; Y246-E272 VanDerWaalsContact OH-OE1 3.11Å; Y246-E272 PolarHBondContact OH-OE2 3.31Å; Y246-L278 HydrophobicContact CE1-CD2 4.37Å; Y246-L278 HydrophobicContact CE2-CD2 4.12Å
247	M	93.4	Very high	85.3	Confident	8 Å²	8	34 Å²	34	4%	0.039	17%	0.168	C	C	.	.			trans	-70.3	137.8	-177.3	-69.2	-173.9	-172.3	0	0	111.9	F240 C241 G242 T243 V244 V251 V252 W264	F240-M247 HydrophobicContact CD1-CE 4.32Å; F240-M247 HydrophobicContact CE1-CE 3.68Å; F240-M247 HydrophobicContact CE1-SD 3.93Å; F240-M247 HydrophobicContact CE2-SD 3.86Å; F240-M247 HydrophobicContact CZ-CE 3.86Å; F240-M247 HydrophobicContact CZ-SD 3.47Å; F240-M247 WeakPolarHBondContact CZ-SD 3.48Å; C241-M247 VanDerWaalsContact O-CE 3.23Å; C241-M247 WeakPolarHBondContact O-CE 3.39Å; G242-M247 WeakPolarHBondContact O-CE 3.25Å; T243-M247 WeakPolarHBondContact O-CG 3.38Å; T243-M247 PolarHBondContact O-N 3.35Å; V244-M247 HydrophobicContact CG2-CE 4.22Å; V244-M247 WeakPolarHBondContact O-CB 3.41Å; V244-M247 PolarHBondContact O-N 3.17Å; V244-M247 VanDerWaalsContact O-N 3.1Å; M247-V251 HydrophobicContact CB-CB 4.37Å; M247-V251 HydrophobicContact CB-CG1 4.42Å; M247-V251 HydrophobicContact CG-CG1 4.27Å; M247-V251 HydrophobicContact SD-CG1 4.01Å; M247-V252 HydrophobicContact CB-CG2 3.87Å; M247-W264 PolarHBondContact O-NE1 3.01Å; M247-W264 VanDerWaalsContact O-NE1 3.12Å
248	A	94.3	Very high	85.9	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.008	18%	0.18	C	C	.	.			trans	-70.4	153.5	172.2	0	0	0	0	0	112	E250 V251 V252 A261 W264	A248-E250 VanDerWaalsContact C-N 3.26Å; A248-E250 VanDerWaalsContact CB-CD 3.42Å; A248-E250 HydrophobicContact CB-CG 4.34Å; A248-E250 WeakPolarHBondContact CB-OE1 3.46Å; A248-E250 VanDerWaalsContact CB-OE2 3.27Å; A248-E250 WeakPolarHBondContact CB-OE2 3.39Å; A248-E250 PolarHBondContact O-N 3.17Å; A248-V251 HydrophobicContact CB-CG2 4.17Å; A248-V251 WeakPolarHBondContact O-CB 3.32Å; A248-V251 PolarHBondContact O-N 3.17Å; A248-V252 PolarHBondContact O-N 3Å; A248-V252 VanDerWaalsContact O-N 3.08Å; A248-A261 HydrophobicContact CB-CB 4.05Å; A248-W264 VanDerWaalsContact CA-CD1 3.48Å; A248-W264 HydrophobicContact CB-CB 3.62Å; A248-W264 HydrophobicContact CB-CD2 4.28Å; A248-W264 HydrophobicContact CB-CG 3.68Å
249	P	94.8	Very high	86.5	Confident	7 Å²	7	34 Å²	34	5%	0.045	17%	0.172	C	C	.	.	H	α-helix	trans	-53.4	-38.9	-179.9	-28.3	35.9	0	0	0	114.1	V251 V252 N253 W264 I292 L293 R317	P249-V251 VanDerWaalsContact C-N 3.32Å; P249-V251 PolarHBondContact O-N 3.31Å; P249-V252 PolarHBondContact O-N 3.41Å; P249-N253 WeakPolarHBondContact O-CB 3.22Å; P249-N253 PolarHBondContact O-N 3.04Å; P249-W264 HydrophobicContact CG-CD2 4.45Å; P249-W264 HydrophobicContact CG-CE3 4.12Å; P249-W264 HydrophobicContact CG-CH2 3.52Å; P249-W264 HydrophobicContact CG-CZ2 3.9Å; P249-W264 HydrophobicContact CG-CZ3 3.64Å; P249-I292 HydrophobicContact CG-CG2 4.1Å; P249-L293 HydrophobicContact CB-CD2 4.02Å; P249-R317 HydrophobicContact CG-CB 4.41Å; P249-R317 HydrophobicContact CG-CG 4.12Å
250	E	93.3	Very high	87.3	Confident	7 Å²	7	32.2 Å²	32.2	3%	0.033	16%	0.16	C	C	.	.	H	α-helix	trans	-66.7	-31.1	178.2	64.6	-88.4	-151.7	0	0	113.1	A248 R254 Q255 H257 P319 R322	A248-E250 VanDerWaalsContact C-N 3.26Å; A248-E250 VanDerWaalsContact CB-CD 3.42Å; A248-E250 HydrophobicContact CB-CG 4.34Å; A248-E250 WeakPolarHBondContact CB-OE1 3.46Å; A248-E250 VanDerWaalsContact CB-OE2 3.27Å; A248-E250 WeakPolarHBondContact CB-OE2 3.39Å; A248-E250 PolarHBondContact O-N 3.17Å; E250-R254 PolarHBondContact O-N 2.88Å; E250-R254 VanDerWaalsContact O-N 3.13Å; E250-Q255 PolarHBondContact O-N 3.14Å; E250-H257 HydrophobicContact CG-CB 3.94Å; E250-P319 HydrophobicContact CB-CG 4.13Å; E250-P319 HydrophobicContact CG-CG 3.93Å; E250-P319 WeakPolarHBondContact OE1-CG 3.49Å; E250-R322 IonicContact OE1-CZ 3.52Å; E250-R322 IonicContact OE1-NH1 2.7Å; E250-R322 PolarHBondContact OE1-NH1 2.94Å; E250-R322 IonicContact OE1-NH2 3.42Å; E250-R322 PolarHBondContact OE1-NH2 3.41Å; E250-R322 IonicContact OE2-CZ 3.75Å; E250-R322 IonicContact OE2-NH1 3.65Å; E250-R322 IonicContact OE2-NH2 2.91Å; E250-R322 PolarHBondContact OE2-NH2 3.33Å
251	V	91.4	Very high	88.1	Confident	9 Å²	9	31.6 Å²	31.6	6%	0.055	16%	0.158	C	C	.	.	H	α-helix	trans	-72.3	-43.8	174.5	-176.6	0	0	0	0	109.4	M247 A248 P249 N253 R254 H257 A261	M247-V251 HydrophobicContact CB-CB 4.37Å; M247-V251 HydrophobicContact CB-CG1 4.42Å; M247-V251 HydrophobicContact CG-CG1 4.27Å; M247-V251 HydrophobicContact SD-CG1 4.01Å; A248-V251 HydrophobicContact CB-CG2 4.17Å; A248-V251 WeakPolarHBondContact O-CB 3.32Å; A248-V251 PolarHBondContact O-N 3.17Å; P249-V251 VanDerWaalsContact C-N 3.32Å; P249-V251 PolarHBondContact O-N 3.31Å; V251-N253 VanDerWaalsContact C-N 3.33Å; V251-N253 PolarHBondContact O-N 3.27Å; V251-R254 PolarHBondContact O-N 3.49Å; V251-R254 VanDerWaalsContact O-N 3.12Å; V251-H257 HydrophobicContact CG2-CB 3.85Å; V251-A261 HydrophobicContact CG2-CB 3.98Å
252	V	89.9	Confident	89	Confident	16 Å²	16	31.4 Å²	31.4	10%	0.097	16%	0.156	C	C	.	.	H	α-helix	trans	-61.7	-41.9	177.2	177.4	0	0	0	0	111.3	M247 A248 P249 R254 M289 I292 L293	M247-V252 HydrophobicContact CB-CG2 3.87Å; A248-V252 PolarHBondContact O-N 3Å; A248-V252 VanDerWaalsContact O-N 3.08Å; P249-V252 PolarHBondContact O-N 3.41Å; V252-R254 VanDerWaalsContact C-N 3.28Å; V252-R254 PolarHBondContact O-N 2.92Å; V252-M289 HydrophobicContact CG1-CB 3.89Å; V252-M289 HydrophobicContact CG1-CG 3.9Å; V252-I292 HydrophobicContact CG2-CD1 4.33Å; V252-I292 HydrophobicContact CG2-CG2 4.09Å; V252-L293 HydrophobicContact CB-CD2 4.21Å; V252-L293 HydrophobicContact CG1-CD1 4.01Å; V252-L293 HydrophobicContact CG1-CD2 4.14Å; V252-L293 HydrophobicContact CG1-CG 4.02Å
253	N	87.6	Confident	89.9	Confident	78 Å²	78	30.7 Å²	30.7	42%	0.417	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-2.8	176.8	-78.5	-20.5	0	0	0	114.5	P249 V251 Q255 L293	P249-N253 WeakPolarHBondContact O-CB 3.22Å; P249-N253 PolarHBondContact O-N 3.04Å; V251-N253 VanDerWaalsContact C-N 3.33Å; V251-N253 PolarHBondContact O-N 3.27Å; N253-Q255 HydrophobicContact CB-CG 3.85Å; N253-Q255 PolarHBondContact O-N 3.03Å; N253-L293 WeakPolarHBondContact ND2-CD2 3.3Å; N253-L293 WeakPolarHBondContact OD1-CD1 3.19Å; N253-L293 WeakPolarHBondContact OD1-CD2 3.24Å
254	R	85.3	Confident	90.6	Very high	152 Å²	152	29.2 Å²	29.2	57%	0.574	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	31.8	-179.1	-53.3	176.5	-178.7	-114.1	5.2	113.9	F240 E250 V251 V252 G256	F240-R254 HydrophobicContact CD2-CG 4.25Å; E250-R254 PolarHBondContact O-N 2.88Å; E250-R254 VanDerWaalsContact O-N 3.13Å; V251-R254 PolarHBondContact O-N 3.49Å; V251-R254 VanDerWaalsContact O-N 3.12Å; V252-R254 VanDerWaalsContact C-N 3.28Å; V252-R254 PolarHBondContact O-N 2.92Å; R254-G256 PolarHBondContact O-N 3.26Å
255	Q	79.2	Confident	91	Very high	130 Å²	130	28.6 Å²	28.6	61%	0.607	14%	0.137	S	C	*	.	S	Bend	trans	-81.8	4.7	-176.7	-72.3	174.7	-6.1	0	0	113.9	E250 N253	E250-Q255 PolarHBondContact O-N 3.14Å; N253-Q255 HydrophobicContact CB-CG 3.85Å; N253-Q255 PolarHBondContact O-N 3.03Å
256	G	80.3	Confident	91.3	Very high	8 Å²	8	26.2 Å²	26.2	8%	0.082	13%	0.126	C	C	.	.			trans	81.2	145.7	-164.1	0	0	0	0	0	111	A237 R254	A237-G256 CarbonylContact O-C 3.52Å; A237-G256 VanDerWaalsContact O-CA 3.26Å; A237-G256 WeakPolarHBondContact O-CA 3.17Å; R254-G256 PolarHBondContact O-N 3.26Å
257	H	82.3	Confident	91.5	Very high	7 Å²	7	26 Å²	26	3%	0.032	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-140.6	153.7	-179.7	57.2	-86.5	0	0	0	111.6	R204 A237 S239 E250 V251 A261	R204-H257 WeakPolarHBondContact CD-NE2 3.19Å; A237-H257 WeakPolarHBondContact CB-NE2 3.23Å; A237-H257 PolarHBondContact N-O 3.49Å; A237-H257 PolarHBondContact O-CE1 3.27Å; A237-H257 PolarHBondContact O-N 3.14Å; A237-H257 PolarHBondContact O-ND1 3.08Å; S239-H257 PolarHBondContact O-CE1 3.08Å; S239-H257 VanDerWaalsContact O-CE1 3.3Å; E250-H257 HydrophobicContact CG-CB 3.94Å; V251-H257 HydrophobicContact CG2-CB 3.85Å; H257-A261 HydrophobicContact CB-CB 4.14Å
258	I	87.9	Confident	91.7	Very high	53 Å²	53	25.6 Å²	25.6	27%	0.272	12%	0.123	S	C	.	.			trans	-118.7	-168.1	174.6	64.4	174.3	0	0	0	109.2	K235 K236 S260 A261	K235-I258 WeakPolarHBondContact O-CG2 3.42Å; K236-I258 HydrophobicContact CG-CG2 3.79Å; I258-S260 VanDerWaalsContact CG1-OG 3.24Å; I258-S260 WeakPolarHBondContact CG1-OG 3.37Å; I258-S260 PolarHBondContact O-N 2.67Å; I258-S260 VanDerWaalsContact O-N 3.09Å; I258-A261 WeakPolarHBondContact O-CB 3.39Å; I258-A261 PolarHBondContact O-N 3.12Å; I258-A261 VanDerWaalsContact O-N 3.1Å
259	H	89.9	Confident	91.8	Very high	57 Å²	57	25.6 Å²	25.6	26%	0.264	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-24.2	176.9	63	-92.9	0	0	0	114.4	H197 A261 D262	H197-H259 HydrophobicContact CB-CB 4.32Å; H259-A261 PolarHBondContact O-N 2.84Å; H259-D262 WeakPolarHBondContact O-CB 3.23Å; H259-D262 PolarHBondContact O-N 2.82Å
260	S	92.8	Very high	91.9	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.007	12%	0.12	C	C	.	.	H	α-helix	trans	-52.2	-27.9	172.8	63.7	0	0	0	0	114.2	I258 D262 W263 W264 R322 S325	I258-S260 VanDerWaalsContact CG1-OG 3.24Å; I258-S260 WeakPolarHBondContact CG1-OG 3.37Å; I258-S260 PolarHBondContact O-N 2.67Å; I258-S260 VanDerWaalsContact O-N 3.09Å; S260-D262 VanDerWaalsContact C-N 3.3Å; S260-W263 PolarHBondContact O-N 3Å; S260-W264 PolarHBondContact O-N 3.01Å; S260-R322 WeakPolarHBondContact O-CD 3.25Å; S260-R322 PolarHBondContact O-NH1 3.25Å; S260-S325 WeakPolarHBondContact CB-OG 3.44Å
261	A	94.2	Very high	92	Very high	4 Å²	4	25.7 Å²	25.7	3%	0.033	12%	0.122	C	C	.	.	H	α-helix	trans	-65.5	-33.7	177	0	0	0	0	0	112	A248 V251 H257 I258 H259 W263 W264 S265	A248-A261 HydrophobicContact CB-CB 4.05Å; V251-A261 HydrophobicContact CG2-CB 3.98Å; H257-A261 HydrophobicContact CB-CB 4.14Å; I258-A261 WeakPolarHBondContact O-CB 3.39Å; I258-A261 PolarHBondContact O-N 3.12Å; I258-A261 VanDerWaalsContact O-N 3.1Å; H259-A261 PolarHBondContact O-N 2.84Å; A261-W263 VanDerWaalsContact C-N 3.31Å; A261-W263 PolarHBondContact O-N 2.91Å; A261-W264 WeakPolarHBondContact O-CB 3.35Å; A261-W264 PolarHBondContact O-N 3.39Å; A261-S265 PolarHBondContact O-N 2.72Å; A261-S265 PolarHBondContact O-OG 3.48Å
262	D	95.8	Very high	92.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.9	-34.1	177.4	-66.3	-28.3	0	0	0	111.1	L193 H197 Y203 R204 H259 S260 W264 S265 F266	L193-D262 HydrophobicContact CD2-CB 4.34Å; H197-D262 IonicContact CD2-OD2 2.7Å; H197-D262 IonicContact CE1-OD2 2.75Å; H197-D262 IonicContact NE2-OD2 2.74Å; H197-D262 PolarHBondContact NE2-OD2 3.13Å; Y203-D262 PolarHBondContact N-OD2 3.44Å; R204-D262 WeakPolarHBondContact CA-OD1 3.36Å; R204-D262 PolarHBondContact N-OD1 3.4Å; H259-D262 WeakPolarHBondContact O-CB 3.23Å; H259-D262 PolarHBondContact O-N 2.82Å; S260-D262 VanDerWaalsContact C-N 3.3Å; D262-W264 VanDerWaalsContact C-N 3.32Å; D262-W264 PolarHBondContact O-N 2.57Å; D262-S265 CarbonylContact O-C 3.47Å; D262-S265 PolarHBondContact O-N 3.22Å; D262-F266 WeakPolarHBondContact O-CB 3.4Å; D262-F266 PolarHBondContact O-N 3.16Å
263	W	97.6	Very high	92	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-68.2	-28.7	174.8	-63	128	0	0	0	113.4	A190 L193 H197 S260 A261 F266 G267 L314 G324 A330 I333	A190-W263 HydrophobicContact CB-CH2 4.38Å; A190-W263 HydrophobicContact CB-CZ3 4.38Å; L193-W263 HydrophobicContact CB-CH2 4.19Å; L193-W263 HydrophobicContact CD1-CZ3 4.13Å; H197-W263 AromaticContact ND1-CZ2 3.98Å; H197-W263 AromaticContact ND1-NE1 3.99Å; S260-W263 PolarHBondContact O-N 3Å; A261-W263 VanDerWaalsContact C-N 3.31Å; A261-W263 PolarHBondContact O-N 2.91Å; W263-F266 HydrophobicContact CE3-CB 4.11Å; W263-F266 HydrophobicContact CE3-CD1 4.42Å; W263-F266 HydrophobicContact CE3-CD2 4.2Å; W263-F266 HydrophobicContact CE3-CG 4.03Å; W263-F266 AromaticContact CZ3-CD2 3.99Å; W263-F266 HydrophobicContact CZ3-CD2 3.99Å; W263-F266 HydrophobicContact CZ3-CE2 4.14Å; W263-F266 HydrophobicContact CZ3-CG 4.26Å; W263-F266 WeakPolarHBondContact O-CB 3.42Å; W263-G267 PolarHBondContact O-N 2.92Å; W263-G267 VanDerWaalsContact O-N 3.11Å; W263-L314 HydrophobicContact CB-CD2 4.28Å; W263-G324 VanDerWaalsContact CD1-O 3.3Å; W263-G324 PolarHBondContact NE1-O 2.89Å; W263-A330 HydrophobicContact CH2-CB 3.93Å; W263-A330 HydrophobicContact CZ2-CB 3.7Å; W263-I333 HydrophobicContact CD2-CD1 4.29Å; W263-I333 HydrophobicContact CD2-CG1 4.27Å; W263-I333 HydrophobicContact CE3-CD1 4.01Å; W263-I333 HydrophobicContact CE3-CG1 4.01Å; W263-I333 HydrophobicContact CH2-CG1 4.05Å; W263-I333 HydrophobicContact CZ2-CG1 4.27Å; W263-I333 HydrophobicContact CZ3-CD1 4.33Å; W263-I333 HydrophobicContact CZ3-CG1 3.91Å; W263-I333 HydrophobicContact CZ3-CG2 4.45Å
264	W	97.6	Very high	91.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.4	-49.4	169.1	177.2	-81.4	0	0	0	110.6	M247 A248 P249 S260 A261 D262 F266 G267 V268 F280 I292 F315 R317	M247-W264 PolarHBondContact O-NE1 3.01Å; M247-W264 VanDerWaalsContact O-NE1 3.12Å; A248-W264 VanDerWaalsContact CA-CD1 3.48Å; A248-W264 HydrophobicContact CB-CB 3.62Å; A248-W264 HydrophobicContact CB-CD2 4.28Å; A248-W264 HydrophobicContact CB-CG 3.68Å; P249-W264 HydrophobicContact CG-CD2 4.45Å; P249-W264 HydrophobicContact CG-CE3 4.12Å; P249-W264 HydrophobicContact CG-CH2 3.52Å; P249-W264 HydrophobicContact CG-CZ2 3.9Å; P249-W264 HydrophobicContact CG-CZ3 3.64Å; S260-W264 PolarHBondContact O-N 3.01Å; A261-W264 WeakPolarHBondContact O-CB 3.35Å; A261-W264 PolarHBondContact O-N 3.39Å; D262-W264 VanDerWaalsContact C-N 3.32Å; D262-W264 PolarHBondContact O-N 2.57Å; W264-F266 PolarHBondContact O-N 2.84Å; W264-G267 WeakPolarHBondContact O-CA 3.14Å; W264-G267 PolarHBondContact O-N 2.88Å; W264-V268 PolarHBondContact O-N 2.58Å; W264-F280 HydrophobicContact CH2-CE2 4Å; W264-F280 HydrophobicContact CZ2-CD2 4.04Å; W264-F280 AromaticContact CZ2-CE2 3.6Å; W264-F280 HydrophobicContact CZ2-CE2 3.6Å; W264-F280 HydrophobicContact CZ2-CZ 4.5Å; W264-I292 HydrophobicContact CZ2-CG2 4.07Å; W264-F315 AromaticContact CD2-CD1 3.98Å; W264-F315 HydrophobicContact CD2-CD1 3.98Å; W264-F315 HydrophobicContact CD2-CE1 4.33Å; W264-F315 AromaticContact CE2-CD1 3.92Å; W264-F315 AromaticContact CE3-CD1 3.95Å; W264-F315 HydrophobicContact CE3-CD1 3.95Å; W264-F315 AromaticContact CH2-CD1 3.85Å; W264-F315 HydrophobicContact CH2-CD1 3.85Å; W264-F315 AromaticContact CZ2-CD1 3.86Å; W264-F315 HydrophobicContact CZ2-CD1 3.86Å; W264-F315 HydrophobicContact CZ2-CE1 4.22Å; W264-F315 HydrophobicContact CZ3-CB 4.31Å; W264-F315 AromaticContact CZ3-CD1 3.89Å; W264-F315 HydrophobicContact CZ3-CD1 3.89Å; W264-R317 HydrophobicContact CH2-CG 4.45Å; W264-R317 HydrophobicContact CZ3-CG 4.37Å
265	S	97.6	Very high	91.7	Very high	7 Å²	7	15 Å²	15	5%	0.049	8%	0.077	C	C	.	.	H	α-helix	trans	-61.1	-33.2	177.4	-51.9	0	0	0	0	111.8	Y246 A261 D262 G267 V268 L269	Y246-S265 PolarHBondContact O-OG 2.91Å; A261-S265 PolarHBondContact O-N 2.72Å; A261-S265 PolarHBondContact O-OG 3.48Å; D262-S265 CarbonylContact O-C 3.47Å; D262-S265 PolarHBondContact O-N 3.22Å; S265-G267 VanDerWaalsContact C-N 3.34Å; S265-V268 PolarHBondContact O-N 3.49Å; S265-L269 WeakPolarHBondContact O-CB 3.28Å; S265-L269 PolarHBondContact O-N 3.3Å
266	F	98.3	Very high	91.7	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-61.9	-41.5	172.8	-175.5	-83.3	0	0	0	111.3	L186 L189 A190 L193 L206 D262 W263 W264 L269 M270 L314 I333 F339	L186-F266 HydrophobicContact CB-CE1 4.24Å; L186-F266 HydrophobicContact CB-CE2 4.16Å; L186-F266 HydrophobicContact CB-CZ 3.6Å; L186-F266 HydrophobicContact CD1-CE1 4.09Å; L186-F266 HydrophobicContact CD1-CZ 4.29Å; L186-F266 HydrophobicContact CD2-CD1 4.31Å; L186-F266 HydrophobicContact CD2-CD2 4.14Å; L186-F266 HydrophobicContact CD2-CE1 3.97Å; L186-F266 HydrophobicContact CD2-CE2 3.8Å; L186-F266 HydrophobicContact CD2-CG 4.4Å; L186-F266 HydrophobicContact CD2-CZ 3.73Å; L186-F266 HydrophobicContact CG-CE1 4.33Å; L186-F266 HydrophobicContact CG-CZ 4.06Å; L186-F266 WeakPolarHBondContact O-CE2 3.49Å; L186-F266 WeakPolarHBondContact O-CZ 3.37Å; L189-F266 HydrophobicContact CB-CE2 4.14Å; L189-F266 HydrophobicContact CD2-CD2 3.85Å; L189-F266 HydrophobicContact CD2-CE2 4.1Å; L189-F266 HydrophobicContact CG-CD2 4.14Å; L189-F266 HydrophobicContact CG-CE2 4.15Å; A190-F266 HydrophobicContact CB-CE2 4.08Å; A190-F266 HydrophobicContact CB-CZ 4.25Å; L193-F266 HydrophobicContact CD1-CD2 3.97Å; L206-F266 HydrophobicContact CD2-CB 3.96Å; D262-F266 WeakPolarHBondContact O-CB 3.4Å; D262-F266 PolarHBondContact O-N 3.16Å; W263-F266 HydrophobicContact CE3-CB 4.11Å; W263-F266 HydrophobicContact CE3-CD1 4.42Å; W263-F266 HydrophobicContact CE3-CD2 4.2Å; W263-F266 HydrophobicContact CE3-CG 4.03Å; W263-F266 AromaticContact CZ3-CD2 3.99Å; W263-F266 HydrophobicContact CZ3-CD2 3.99Å; W263-F266 HydrophobicContact CZ3-CE2 4.14Å; W263-F266 HydrophobicContact CZ3-CG 4.26Å; W263-F266 WeakPolarHBondContact O-CB 3.42Å; W264-F266 PolarHBondContact O-N 2.84Å; F266-L269 PolarHBondContact O-N 3.44Å; F266-M270 WeakPolarHBondContact O-CB 3.31Å; F266-M270 PolarHBondContact O-N 2.77Å; F266-L314 HydrophobicContact CD1-CD1 3.84Å; F266-L314 HydrophobicContact CD1-CD2 4.3Å; F266-L314 HydrophobicContact CE1-CD1 4.28Å; F266-I333 HydrophobicContact CE1-CG2 4.49Å; F266-I333 HydrophobicContact CZ-CG2 4.41Å; F266-F339 HydrophobicContact CE1-CZ 4.4Å; F266-F339 HydrophobicContact CZ-CZ 4.15Å
267	G	98	Very high	91.9	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.4	-39.3	171.9	0	0	0	0	0	113.6	W263 W264 S265 M270 F271 F315	W263-G267 PolarHBondContact O-N 2.92Å; W263-G267 VanDerWaalsContact O-N 3.11Å; W264-G267 WeakPolarHBondContact O-CA 3.14Å; W264-G267 PolarHBondContact O-N 2.88Å; S265-G267 VanDerWaalsContact C-N 3.34Å; G267-M270 PolarHBondContact O-N 2.8Å; G267-F271 WeakPolarHBondContact O-CB 3.48Å; G267-F271 PolarHBondContact O-N 3.37Å; G267-F315 WeakPolarHBondContact O-CZ 3.45Å
268	V	97.8	Very high	92.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.3	-47.1	173.8	177.8	0	0	0	0	110.6	Y246 W264 S265 F271 E272 L278 P279 F315	Y246-V268 HydrophobicContact CD1-CB 3.81Å; Y246-V268 HydrophobicContact CD1-CG1 3.39Å; Y246-V268 HydrophobicContact CE1-CB 4.36Å; Y246-V268 HydrophobicContact CE1-CG1 3.64Å; Y246-V268 HydrophobicContact CG-CB 4.46Å; Y246-V268 HydrophobicContact CG-CG1 3.91Å; W264-V268 PolarHBondContact O-N 2.58Å; S265-V268 PolarHBondContact O-N 3.49Å; V268-F271 PolarHBondContact O-N 3.31Å; V268-E272 WeakPolarHBondContact O-CB 3.32Å; V268-E272 PolarHBondContact O-N 3.26Å; V268-L278 HydrophobicContact CG1-CD2 3.78Å; V268-P279 HydrophobicContact CB-CG 4.37Å; V268-P279 HydrophobicContact CG1-CG 4.06Å; V268-P279 HydrophobicContact CG2-CG 4.11Å; V268-F315 HydrophobicContact CG2-CE1 3.71Å; V268-F315 HydrophobicContact CG2-CZ 4.07Å
269	L	96.6	Very high	92.5	Very high	1 Å²	1	11 Å²	11	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-62	-45.3	177.2	179.5	66.7	0	0	0	111.9	L186 L189 L206 P208 I211 S265 F266 F271 E272 M273	L186-L269 HydrophobicContact CD2-CD2 4.31Å; L189-L269 HydrophobicContact CD2-CD2 3.36Å; L206-L269 HydrophobicContact CD2-CD2 4.37Å; L206-L269 HydrophobicContact CG-CD2 4.38Å; P208-L269 HydrophobicContact CB-CD1 4.22Å; P208-L269 HydrophobicContact CG-CD1 3.53Å; I211-L269 HydrophobicContact CD1-CD1 4.35Å; I211-L269 HydrophobicContact CD1-CD2 3.39Å; S265-L269 WeakPolarHBondContact O-CB 3.28Å; S265-L269 PolarHBondContact O-N 3.3Å; F266-L269 PolarHBondContact O-N 3.44Å; L269-F271 VanDerWaalsContact C-N 3.34Å; L269-F271 PolarHBondContact O-N 3.04Å; L269-E272 PolarHBondContact O-N 3Å; L269-M273 HydrophobicContact CD1-CG 4.25Å; L269-M273 HydrophobicContact CD1-SD 4.35Å; L269-M273 HydrophobicContact CD2-CE 4.47Å; L269-M273 HydrophobicContact CG-CE 3.99Å; L269-M273 HydrophobicContact CG-SD 4.34Å; L269-M273 WeakPolarHBondContact O-CG 3.06Å; L269-M273 PolarHBondContact O-N 2.85Å
270	M	97.4	Very high	92.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-55.2	-49.8	174.2	178.9	178.9	178.7	0	0	111.2	V182 L186 F266 G267 E272 M273 L274 A307 L310 L311 L314 F338	V182-M270 HydrophobicContact CG1-CG 4.19Å; L186-M270 HydrophobicContact CD1-CB 3.56Å; L186-M270 HydrophobicContact CD1-CG 3.54Å; L186-M270 HydrophobicContact CD1-SD 4Å; L186-M270 HydrophobicContact CD2-CB 4.47Å; F266-M270 WeakPolarHBondContact O-CB 3.31Å; F266-M270 PolarHBondContact O-N 2.77Å; G267-M270 PolarHBondContact O-N 2.8Å; M270-E272 PolarHBondContact O-N 3.48Å; M270-M273 PolarHBondContact O-N 3.42Å; M270-L274 HydrophobicContact CE-CD1 3.64Å; M270-L274 HydrophobicContact CG-CD1 3.72Å; M270-L274 HydrophobicContact CG-CG 4.47Å; M270-L274 WeakPolarHBondContact O-CB 3.46Å; M270-L274 VanDerWaalsContact O-CG 3.23Å; M270-L274 WeakPolarHBondContact O-CG 3.34Å; M270-L274 PolarHBondContact O-N 2.9Å; M270-A307 HydrophobicContact CE-CB 3.94Å; M270-L310 HydrophobicContact CE-CB 4.11Å; M270-L310 HydrophobicContact CE-CD2 3.9Å; M270-L310 HydrophobicContact CE-CG 4.24Å; M270-L310 HydrophobicContact SD-CB 4.27Å; M270-L310 HydrophobicContact SD-CD2 3.66Å; M270-L310 HydrophobicContact SD-CG 3.84Å; M270-L311 HydrophobicContact CB-CD2 4.07Å; M270-L311 HydrophobicContact CE-CD2 4.4Å; M270-L311 HydrophobicContact CE-CG 4.02Å; M270-L311 HydrophobicContact CG-CD2 3.81Å; M270-L311 HydrophobicContact CG-CG 4.42Å; M270-L311 HydrophobicContact SD-CD2 3.71Å; M270-L311 HydrophobicContact SD-CG 3.9Å; M270-L314 HydrophobicContact SD-CD1 4.31Å; M270-F338 HydrophobicContact CE-CD1 4.39Å; M270-F338 HydrophobicContact CE-CD2 4.33Å; M270-F338 HydrophobicContact CE-CE1 4.1Å; M270-F338 HydrophobicContact CE-CE2 4.07Å; M270-F338 HydrophobicContact CE-CG 4.49Å; M270-F338 HydrophobicContact CE-CZ 3.95Å
271	F	95.2	Very high	92.6	Very high	16 Å²	16	11.3 Å²	11.3	7%	0.07	7%	0.068	C	C	.	.	H	α-helix	trans	-62	-43.9	-180	-171.7	-80.4	0	0	0	111.6	G267 V268 L269 L274 T275 S277 P279 L297 P300 L311 F315	G267-F271 WeakPolarHBondContact O-CB 3.48Å; G267-F271 PolarHBondContact O-N 3.37Å; V268-F271 PolarHBondContact O-N 3.31Å; L269-F271 VanDerWaalsContact C-N 3.34Å; L269-F271 PolarHBondContact O-N 3.04Å; F271-L274 PolarHBondContact O-N 3.01Å; F271-T275 HydrophobicContact CD1-CG2 4.11Å; F271-T275 WeakPolarHBondContact CD1-OG1 3.07Å; F271-T275 HydrophobicContact CD2-CG2 4.48Å; F271-T275 HydrophobicContact CE1-CG2 3.89Å; F271-T275 VanDerWaalsContact CE1-OG1 3.27Å; F271-T275 WeakPolarHBondContact CE1-OG1 3.38Å; F271-T275 HydrophobicContact CE2-CG2 4.3Å; F271-T275 HydrophobicContact CG-CG2 4.4Å; F271-T275 HydrophobicContact CZ-CG2 4Å; F271-T275 WeakPolarHBondContact O-CB 3.5Å; F271-T275 VanDerWaalsContact O-CG2 3.32Å; F271-T275 WeakPolarHBondContact O-CG2 3.1Å; F271-T275 PolarHBondContact O-N 3.1Å; F271-T275 PolarHBondContact O-OG1 3.02Å; F271-S277 WeakPolarHBondContact CD1-O 3.22Å; F271-S277 WeakPolarHBondContact CE1-O 3.27Å; F271-P279 HydrophobicContact CB-CB 4.36Å; F271-P279 HydrophobicContact CB-CG 4.32Å; F271-P279 HydrophobicContact CD1-CB 3.73Å; F271-P279 HydrophobicContact CD1-CG 4.18Å; F271-P279 HydrophobicContact CD2-CB 4.11Å; F271-P279 HydrophobicContact CE1-CB 3.99Å; F271-P279 HydrophobicContact CE2-CB 4.33Å; F271-P279 HydrophobicContact CG-CB 3.81Å; F271-P279 HydrophobicContact CG-CG 4.25Å; F271-P279 HydrophobicContact CZ-CB 4.29Å; F271-L297 HydrophobicContact CD2-CD1 4.06Å; F271-L297 HydrophobicContact CE2-CD1 3.91Å; F271-P300 HydrophobicContact CE2-CG 4.07Å; F271-P300 HydrophobicContact CZ-CG 4.25Å; F271-L311 HydrophobicContact CB-CD2 4.03Å; F271-L311 HydrophobicContact CD2-CD1 4.22Å; F271-L311 HydrophobicContact CD2-CD2 4.46Å; F271-F315 HydrophobicContact CB-CE2 4.39Å; F271-F315 HydrophobicContact CB-CZ 4.47Å
272	E	92.4	Very high	92.3	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.009	8%	0.076	C	C	.	.	H	α-helix	trans	-64.8	-43.2	179.4	-167.2	-173	-156.5	0	0	111.8	L171 P208 Y246 V268 L269 M270 L274 T275 G276 S277 L278 R743	L171-E272 HydrophobicContact CD2-CG 3.97Å; P208-E272 WeakPolarHBondContact CD-OE2 3.49Å; P208-E272 WeakPolarHBondContact CG-OE2 3.35Å; Y246-E272 PolarHBondContact OH-OE1 3.45Å; Y246-E272 VanDerWaalsContact OH-OE1 3.11Å; Y246-E272 PolarHBondContact OH-OE2 3.31Å; V268-E272 WeakPolarHBondContact O-CB 3.32Å; V268-E272 PolarHBondContact O-N 3.26Å; L269-E272 PolarHBondContact O-N 3Å; M270-E272 PolarHBondContact O-N 3.48Å; E272-L274 VanDerWaalsContact C-N 3.32Å; E272-L274 PolarHBondContact O-N 2.71Å; E272-T275 PolarHBondContact O-N 3.21Å; E272-G276 WeakPolarHBondContact O-CA 3.4Å; E272-G276 PolarHBondContact O-N 2.5Å; E272-S277 WeakPolarHBondContact CA-O 3.36Å; E272-L278 HydrophobicContact CB-CD2 4.43Å; E272-L278 HydrophobicContact CG-CD2 4.26Å; E272-R743 IonicContact OE1-CZ 3.6Å; E272-R743 IonicContact OE1-NH1 3.63Å; E272-R743 PolarHBondContact OE1-NH1 2.88Å
273	M	88.1	Confident	91.8	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-65.1	-37.2	176.2	-67.1	-172.1	-60	0	0	111.9	L167 L171 M176 F177 V182 L186 L269 M270	L167-M273 HydrophobicContact CD2-SD 3.81Å; L171-M273 HydrophobicContact CD2-CG 4.31Å; M176-M273 CarbonylContact C-O 3.59Å; M176-M273 WeakPolarHBondContact CA-O 3.22Å; F177-M273 HydrophobicContact CB-CB 4.5Å; F177-M273 HydrophobicContact CD2-CB 3.96Å; F177-M273 HydrophobicContact CD2-CG 3.95Å; F177-M273 HydrophobicContact CD2-SD 3.84Å; F177-M273 HydrophobicContact CE2-CG 4.19Å; F177-M273 HydrophobicContact CE2-SD 3.96Å; F177-M273 PolarHBondContact N-O 2.74Å; V182-M273 HydrophobicContact CG1-CE 4.03Å; V182-M273 HydrophobicContact CG2-CB 3.57Å; V182-M273 HydrophobicContact CG2-CE 4.29Å; L186-M273 HydrophobicContact CD1-CE 4.27Å; L186-M273 HydrophobicContact CD2-CE 3.58Å; L186-M273 HydrophobicContact CG-CE 3.67Å; L269-M273 HydrophobicContact CD1-CG 4.25Å; L269-M273 HydrophobicContact CD1-SD 4.35Å; L269-M273 HydrophobicContact CD2-CE 4.47Å; L269-M273 HydrophobicContact CG-CE 3.99Å; L269-M273 HydrophobicContact CG-SD 4.34Å; L269-M273 WeakPolarHBondContact O-CG 3.06Å; L269-M273 PolarHBondContact O-N 2.85Å; M270-M273 PolarHBondContact O-N 3.42Å
274	L	85.5	Confident	91.4	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-77.7	-23.3	-179.1	-72.8	173.7	0	0	0	114.5	E179 V182 M270 F271 E272 L303 A307 L311	E179-L274 HydrophobicContact CB-CD2 4.42Å; E179-L274 HydrophobicContact CG-CD2 3.68Å; V182-L274 HydrophobicContact CB-CD2 3.95Å; V182-L274 HydrophobicContact CB-CG 4.39Å; V182-L274 HydrophobicContact CG1-CD1 4.43Å; V182-L274 HydrophobicContact CG1-CD2 4.05Å; V182-L274 HydrophobicContact CG1-CG 4.04Å; V182-L274 HydrophobicContact CG2-CD2 3.69Å; V182-L274 HydrophobicContact CG2-CG 4.02Å; M270-L274 HydrophobicContact CE-CD1 3.64Å; M270-L274 HydrophobicContact CG-CD1 3.72Å; M270-L274 HydrophobicContact CG-CG 4.47Å; M270-L274 WeakPolarHBondContact O-CB 3.46Å; M270-L274 VanDerWaalsContact O-CG 3.23Å; M270-L274 WeakPolarHBondContact O-CG 3.34Å; M270-L274 PolarHBondContact O-N 2.9Å; F271-L274 PolarHBondContact O-N 3.01Å; E272-L274 VanDerWaalsContact C-N 3.32Å; E272-L274 PolarHBondContact O-N 2.71Å; L274-L303 HydrophobicContact CB-CD2 4Å; L274-L303 HydrophobicContact CD1-CD1 4.22Å; L274-L303 HydrophobicContact CD1-CD2 4.13Å; L274-L303 HydrophobicContact CD2-CD2 4.21Å; L274-L303 HydrophobicContact CG-CD2 4.35Å; L274-A307 HydrophobicContact CD1-CB 4.38Å; L274-L311 HydrophobicContact CD1-CD1 4.47Å
275	T	81	Confident	90.9	Very high	25 Å²	25	28.9 Å²	28.9	15%	0.153	15%	0.149	C	C	.	.	H	α-helix	trans	-124.1	-12.9	-170.6	69.8	0	0	0	0	114.1	F271 E272 S277 P300 F302	F271-T275 HydrophobicContact CD1-CG2 4.11Å; F271-T275 WeakPolarHBondContact CD1-OG1 3.07Å; F271-T275 HydrophobicContact CD2-CG2 4.48Å; F271-T275 HydrophobicContact CE1-CG2 3.89Å; F271-T275 VanDerWaalsContact CE1-OG1 3.27Å; F271-T275 WeakPolarHBondContact CE1-OG1 3.38Å; F271-T275 HydrophobicContact CE2-CG2 4.3Å; F271-T275 HydrophobicContact CG-CG2 4.4Å; F271-T275 HydrophobicContact CZ-CG2 4Å; F271-T275 WeakPolarHBondContact O-CB 3.5Å; F271-T275 VanDerWaalsContact O-CG2 3.32Å; F271-T275 WeakPolarHBondContact O-CG2 3.1Å; F271-T275 PolarHBondContact O-N 3.1Å; F271-T275 PolarHBondContact O-OG1 3.02Å; E272-T275 PolarHBondContact O-N 3.21Å; T275-S277 PolarHBondContact O-N 3.11Å; T275-S277 PolarHBondContact OG1-N 2.96Å; T275-S277 PolarHBondContact OG1-O 2.92Å; T275-P300 HydrophobicContact CG2-CG 3.63Å; T275-F302 HydrophobicContact CG2-CZ 4.1Å
276	G	79.9	Confident	90.6	Very high	8 Å²	8	36.7 Å²	36.7	8%	0.082	18%	0.183	C	C	.	.	S	Bend	trans	69.2	5	-171.1	0	0	0	0	0	114.5	V175 E272	V175-G276 WeakPolarHBondContact O-CA 3.28Å; E272-G276 WeakPolarHBondContact O-CA 3.4Å; E272-G276 PolarHBondContact O-N 2.5Å
277	S	84.3	Confident	90.4	Very high	65 Å²	65	40.2 Å²	40.2	46%	0.455	20%	0.199	S	C	.	.	S	Bend	trans	-133.3	153.7	-174.6	-60.1	0	0	0	0	111.2	F271 E272 T275	F271-S277 WeakPolarHBondContact CD1-O 3.22Å; F271-S277 WeakPolarHBondContact CE1-O 3.27Å; E272-S277 WeakPolarHBondContact CA-O 3.36Å; T275-S277 PolarHBondContact O-N 3.11Å; T275-S277 PolarHBondContact OG1-N 2.96Å; T275-S277 PolarHBondContact OG1-O 2.92Å
278	L	89.8	Confident	90.2	Very high	19 Å²	19	40.4 Å²	40.4	10%	0.099	20%	0.2	C	C	.	.			trans	-78.6	144.8	175.5	-71.8	164	0	0	0	111	E245 Y246 V268 E272 F280 Q281	E245-L278 HydrophobicContact CB-CD1 3.79Å; E245-L278 HydrophobicContact CB-CD2 4.36Å; E245-L278 HydrophobicContact CG-CD1 3.79Å; Y246-L278 HydrophobicContact CE1-CD2 4.37Å; Y246-L278 HydrophobicContact CE2-CD2 4.12Å; V268-L278 HydrophobicContact CG1-CD2 3.78Å; E272-L278 HydrophobicContact CB-CD2 4.43Å; E272-L278 HydrophobicContact CG-CD2 4.26Å; L278-F280 VanDerWaalsContact C-N 3.35Å; L278-F280 PolarHBondContact O-N 3.4Å; L278-Q281 HydrophobicContact CB-CB 4.27Å
279	P	92.6	Very high	89.9	Confident	21 Å²	21	42.1 Å²	42.1	14%	0.136	21%	0.208	C	C	.	.	S	Bend	trans	-69.7	-31.3	-179	27.4	-34.4	0	0	0	113.1	V268 F271 L297 F315	V268-P279 HydrophobicContact CB-CG 4.37Å; V268-P279 HydrophobicContact CG1-CG 4.06Å; V268-P279 HydrophobicContact CG2-CG 4.11Å; F271-P279 HydrophobicContact CB-CB 4.36Å; F271-P279 HydrophobicContact CB-CG 4.32Å; F271-P279 HydrophobicContact CD1-CB 3.73Å; F271-P279 HydrophobicContact CD1-CG 4.18Å; F271-P279 HydrophobicContact CD2-CB 4.11Å; F271-P279 HydrophobicContact CE1-CB 3.99Å; F271-P279 HydrophobicContact CE2-CB 4.33Å; F271-P279 HydrophobicContact CG-CB 3.81Å; F271-P279 HydrophobicContact CG-CG 4.25Å; F271-P279 HydrophobicContact CZ-CB 4.29Å; P279-L297 HydrophobicContact CB-CD1 3.76Å; P279-F315 HydrophobicContact CB-CZ 4.13Å; P279-F315 HydrophobicContact CG-CE1 4.34Å; P279-F315 HydrophobicContact CG-CZ 3.81Å
280	F	94.6	Very high	89.9	Confident	5 Å²	5	44.6 Å²	44.6	2%	0.022	23%	0.226	C	C	.	.	S	Bend	trans	-134.7	104.9	-179.5	-52.7	-67.8	0	0	0	109.6	W264 L278 L291 I292 A295 L297 F315	W264-F280 HydrophobicContact CH2-CE2 4Å; W264-F280 HydrophobicContact CZ2-CD2 4.04Å; W264-F280 AromaticContact CZ2-CE2 3.6Å; W264-F280 HydrophobicContact CZ2-CE2 3.6Å; W264-F280 HydrophobicContact CZ2-CZ 4.5Å; L278-F280 VanDerWaalsContact C-N 3.35Å; L278-F280 PolarHBondContact O-N 3.4Å; F280-L291 HydrophobicContact CB-CB 4.16Å; F280-L291 HydrophobicContact CD1-CB 4.46Å; F280-I292 HydrophobicContact CB-CG1 3.81Å; F280-I292 HydrophobicContact CD2-CG1 4.38Å; F280-I292 HydrophobicContact CG-CG1 4.31Å; F280-A295 HydrophobicContact CD1-CB 4.07Å; F280-A295 HydrophobicContact CE1-CB 4.12Å; F280-L297 HydrophobicContact CZ-CB 4.43Å; F280-L297 HydrophobicContact CZ-CD1 4.19Å; F280-F315 HydrophobicContact CE2-CD1 4Å; F280-F315 AromaticContact CE2-CE1 3.99Å; F280-F315 HydrophobicContact CE2-CE1 3.99Å
281	Q	90.9	Very high	89.7	Confident	60 Å²	60	47 Å²	47	28%	0.28	24%	0.239	S	C	.	.			trans	-149.6	126.4	177	-170.6	167	22.1	0	0	110.9	L278 L291 F739	L278-Q281 HydrophobicContact CB-CB 4.27Å; Q281-L291 VanDerWaalsContact C-CD1 3.47Å; Q281-L291 WeakPolarHBondContact O-CD1 3.45Å; Q281-F739 VanDerWaalsContact CD-CE1 3.46Å; Q281-F739 HydrophobicContact CG-CZ 4.36Å; Q281-F739 VanDerWaalsContact NE2-CZ 3.28Å
282	G	87.2	Confident	89.7	Confident	20 Å²	20	46.3 Å²	46.3	21%	0.206	24%	0.236	C	C	.	.			trans	-106.7	-178.6	174.5	0	0	0	0	0	112	D284 E287 T288	G282-D284 PolarHBondContact O-N 3.34Å; G282-E287 WeakPolarHBondContact CA-OE2 3.48Å; G282-T288 PolarHBondContact N-OG1 3.28Å
283	K	85.9	Confident	89.8	Confident	174 Å²	174	48.4 Å²	48.4	76%	0.757	25%	0.247	S	C	*	.	S	Bend	trans	-66.9	-25.7	176.8	76	-154.6	168.9	178	0	112.8	E287	K283-E287 WeakPolarHBondContact CB-OE2 3.32Å; K283-E287 VanDerWaalsContact CD-OE2 3.28Å; K283-E287 WeakPolarHBondContact CD-OE2 3.43Å; K283-E287 WeakPolarHBondContact CG-OE2 3.44Å; K283-E287 PolarHBondContact N-OE2 3.42Å
284	D	89	Confident	90	Very high	72 Å²	72	56.2 Å²	56.2	39%	0.385	28%	0.28	S	S	.	.	S	Bend	trans	-143.4	168.5	-178.7	66.1	56.2	0	0	0	111.5	G282 K286 E287 T288	G282-D284 PolarHBondContact O-N 3.34Å; D284-K286 VanDerWaalsContact C-N 3.27Å; D284-K286 PolarHBondContact O-N 3.16Å; D284-K286 WeakPolarHBondContact OD1-CA 3.49Å; D284-K286 WeakPolarHBondContact OD1-CB 3.44Å; D284-K286 PolarHBondContact OD1-N 3.3Å; D284-E287 PolarHBondContact O-N 3.17Å; D284-E287 PolarHBondContact OD1-N 2.83Å; D284-T288 PolarHBondContact O-N 2.78Å; D284-T288 PolarHBondContact O-OG1 2.99Å
285	R	87.4	Confident	90.3	Very high	106 Å²	106	57.1 Å²	57.1	40%	0.4	29%	0.289	S	S	.	.	H	α-helix	trans	-58.7	-37	-177.4	-176.8	177.1	174.1	-135.5	-2.9	112.7	V244 M289	V244-R285 HydrophobicContact CG1-CG 4.28Å; V244-R285 HydrophobicContact CG2-CG 4.12Å; R285-M289 HydrophobicContact CG-CE 3.78Å; R285-M289 HydrophobicContact CG-SD 4.19Å; R285-M289 WeakPolarHBondContact O-CB 3.33Å; R285-M289 WeakPolarHBondContact O-CG 3.13Å; R285-M289 PolarHBondContact O-N 3.4Å
286	K	91.1	Very high	90.7	Very high	172 Å²	172	67.2 Å²	67.2	75%	0.748	32%	0.324	S	S	*	.	H	α-helix	trans	-70.7	-41.6	-177.4	-175.2	-178.5	179.2	-179.4	0	110.3	D284 M289 S290	D284-K286 VanDerWaalsContact C-N 3.27Å; D284-K286 PolarHBondContact O-N 3.16Å; D284-K286 WeakPolarHBondContact OD1-CA 3.49Å; D284-K286 WeakPolarHBondContact OD1-CB 3.44Å; D284-K286 PolarHBondContact OD1-N 3.3Å; K286-M289 PolarHBondContact O-N 3.36Å; K286-S290 PolarHBondContact O-N 3.32Å
287	E	94.1	Very high	91.3	Very high	74 Å²	74	68.6 Å²	68.6	35%	0.346	33%	0.33	S	S	.	.	H	α-helix	trans	-65.3	-46.3	174	-171.2	172.7	-141.2	0	0	111.3	G282 K283 D284 M289 S290 L291	G282-E287 WeakPolarHBondContact CA-OE2 3.48Å; K283-E287 WeakPolarHBondContact CB-OE2 3.32Å; K283-E287 VanDerWaalsContact CD-OE2 3.28Å; K283-E287 WeakPolarHBondContact CD-OE2 3.43Å; K283-E287 WeakPolarHBondContact CG-OE2 3.44Å; K283-E287 PolarHBondContact N-OE2 3.42Å; D284-E287 PolarHBondContact O-N 3.17Å; D284-E287 PolarHBondContact OD1-N 2.83Å; E287-M289 VanDerWaalsContact C-N 3.33Å; E287-M289 PolarHBondContact O-N 3.42Å; E287-S290 WeakPolarHBondContact O-CA 3.4Å; E287-S290 WeakPolarHBondContact O-CB 3.22Å; E287-S290 PolarHBondContact O-N 2.87Å; E287-L291 HydrophobicContact CG-CD1 4.41Å; E287-L291 WeakPolarHBondContact O-CG 3.28Å; E287-L291 PolarHBondContact O-N 3.15Å
288	T	92.8	Very high	91.5	Very high	3 Å²	3	68.2 Å²	68.2	2%	0.018	34%	0.336	C	S	.	.	H	α-helix	trans	-54.9	-47.7	174.7	-63.2	0	0	0	0	111.5	V244 E245 G282 D284 S290 L291 I292	V244-T288 HydrophobicContact CG1-CG2 3.99Å; E245-T288 HydrophobicContact CG-CG2 4.17Å; G282-T288 PolarHBondContact N-OG1 3.28Å; D284-T288 PolarHBondContact O-N 2.78Å; D284-T288 PolarHBondContact O-OG1 2.99Å; T288-S290 VanDerWaalsContact C-N 3.33Å; T288-S290 PolarHBondContact O-N 3.25Å; T288-L291 PolarHBondContact O-N 3.3Å; T288-I292 HydrophobicContact CG2-CD1 4.13Å; T288-I292 WeakPolarHBondContact O-CG1 3.49Å; T288-I292 PolarHBondContact O-N 3.45Å
289	M	92.7	Very high	91.5	Very high	36 Å²	36	69.5 Å²	69.5	18%	0.177	34%	0.342	C	S	.	.	H	α-helix	trans	-59	-43.5	175.3	-72.7	169	169.4	0	0	112.3	F240 V244 V252 R285 K286 E287 L291 I292 L293	F240-M289 HydrophobicContact CE1-CE 4.35Å; F240-M289 HydrophobicContact CE2-CE 3.93Å; F240-M289 HydrophobicContact CZ-CE 3.4Å; F240-M289 VanDerWaalsContact CZ-CE 3.4Å; V244-M289 HydrophobicContact CG1-CE 4.25Å; V244-M289 HydrophobicContact CG1-CG 3.96Å; V244-M289 HydrophobicContact CG2-CE 4.35Å; V252-M289 HydrophobicContact CG1-CB 3.89Å; V252-M289 HydrophobicContact CG1-CG 3.9Å; R285-M289 HydrophobicContact CG-CE 3.78Å; R285-M289 HydrophobicContact CG-SD 4.19Å; R285-M289 WeakPolarHBondContact O-CB 3.33Å; R285-M289 WeakPolarHBondContact O-CG 3.13Å; R285-M289 PolarHBondContact O-N 3.4Å; K286-M289 PolarHBondContact O-N 3.36Å; E287-M289 VanDerWaalsContact C-N 3.33Å; E287-M289 PolarHBondContact O-N 3.42Å; M289-L291 VanDerWaalsContact C-N 3.32Å; M289-L291 PolarHBondContact O-N 2.86Å; M289-I292 PolarHBondContact O-N 2.99Å; M289-L293 VanDerWaalsContact O-CG 3.28Å; M289-L293 WeakPolarHBondContact O-CG 3.5Å; M289-L293 PolarHBondContact O-N 2.65Å
290	S	95.2	Very high	91	Very high	54 Å²	54	69.6 Å²	69.6	38%	0.378	34%	0.342	S	S	.	.	H	α-helix	trans	-60.6	-41.5	176.6	-172.7	0	0	0	0	111.8	K286 E287 T288 L293 K294	K286-S290 PolarHBondContact O-N 3.32Å; E287-S290 WeakPolarHBondContact O-CA 3.4Å; E287-S290 WeakPolarHBondContact O-CB 3.22Å; E287-S290 PolarHBondContact O-N 2.87Å; T288-S290 VanDerWaalsContact C-N 3.33Å; T288-S290 PolarHBondContact O-N 3.25Å; S290-L293 PolarHBondContact O-N 2.81Å; S290-K294 WeakPolarHBondContact O-CB 3.35Å; S290-K294 PolarHBondContact O-N 3.45Å
291	L	94.7	Very high	90.4	Very high	51 Å²	51	77.1 Å²	77.1	27%	0.267	38%	0.378	S	S	.	.	H	α-helix	trans	-64.4	-46.9	177.2	-67.8	172.6	0	0	0	111.6	F280 Q281 E287 T288 M289 L293 K294 A295 R317	F280-L291 HydrophobicContact CB-CB 4.16Å; F280-L291 HydrophobicContact CD1-CB 4.46Å; Q281-L291 VanDerWaalsContact C-CD1 3.47Å; Q281-L291 WeakPolarHBondContact O-CD1 3.45Å; E287-L291 HydrophobicContact CG-CD1 4.41Å; E287-L291 WeakPolarHBondContact O-CG 3.28Å; E287-L291 PolarHBondContact O-N 3.15Å; T288-L291 PolarHBondContact O-N 3.3Å; M289-L291 VanDerWaalsContact C-N 3.32Å; M289-L291 PolarHBondContact O-N 2.86Å; L291-L293 PolarHBondContact O-N 3.02Å; L291-K294 PolarHBondContact O-N 3.38Å; L291-A295 HydrophobicContact CB-CB 4.11Å; L291-A295 HydrophobicContact CD2-CB 3.78Å; L291-A295 WeakPolarHBondContact O-CB 3.34Å; L291-A295 PolarHBondContact O-N 2.86Å; L291-R317 PolarHBondContact O-NH2 2.87Å
292	I	94.9	Very high	89.8	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-54.2	-45.8	175.2	-67.6	171.8	0	0	0	110.2	V244 P249 V252 W264 F280 T288 M289 R317	V244-I292 HydrophobicContact CG1-CD1 4.49Å; V244-I292 WeakPolarHBondContact O-CD1 3.36Å; P249-I292 HydrophobicContact CG-CG2 4.1Å; V252-I292 HydrophobicContact CG2-CD1 4.33Å; V252-I292 HydrophobicContact CG2-CG2 4.09Å; W264-I292 HydrophobicContact CZ2-CG2 4.07Å; F280-I292 HydrophobicContact CB-CG1 3.81Å; F280-I292 HydrophobicContact CD2-CG1 4.38Å; F280-I292 HydrophobicContact CG-CG1 4.31Å; T288-I292 HydrophobicContact CG2-CD1 4.13Å; T288-I292 WeakPolarHBondContact O-CG1 3.49Å; T288-I292 PolarHBondContact O-N 3.45Å; M289-I292 PolarHBondContact O-N 2.99Å; I292-R317 PolarHBondContact O-NE 3.19Å; I292-R317 PolarHBondContact O-NH2 3.17Å
293	L	93.7	Very high	89.7	Confident	47 Å²	47	76.8 Å²	76.8	25%	0.246	37%	0.37	C	S	.	.	H	α-helix	trans	-72	-36.1	-177.8	-66.7	177.5	0	0	0	113.8	P249 V252 N253 M289 S290 L291 R317	P249-L293 HydrophobicContact CB-CD2 4.02Å; V252-L293 HydrophobicContact CB-CD2 4.21Å; V252-L293 HydrophobicContact CG1-CD1 4.01Å; V252-L293 HydrophobicContact CG1-CD2 4.14Å; V252-L293 HydrophobicContact CG1-CG 4.02Å; N253-L293 WeakPolarHBondContact ND2-CD2 3.3Å; N253-L293 WeakPolarHBondContact OD1-CD1 3.19Å; N253-L293 WeakPolarHBondContact OD1-CD2 3.24Å; M289-L293 VanDerWaalsContact O-CG 3.28Å; M289-L293 WeakPolarHBondContact O-CG 3.5Å; M289-L293 PolarHBondContact O-N 2.65Å; S290-L293 PolarHBondContact O-N 2.81Å; L291-L293 PolarHBondContact O-N 3.02Å; L293-R317 PolarHBondContact O-NE 3.37Å
294	K	93	Very high	89.8	Confident	164 Å²	164	70.1 Å²	70.1	71%	0.713	35%	0.345	S	S	*	.	H	α-helix	trans	-124.8	-27.6	-164.5	-59.8	-179.8	-178.6	178.6	0	115.8	S290 L291	S290-K294 WeakPolarHBondContact O-CB 3.35Å; S290-K294 PolarHBondContact O-N 3.45Å; L291-K294 PolarHBondContact O-N 3.38Å
295	A	92.3	Very high	90	Very high	24 Å²	24	69.7 Å²	69.7	20%	0.198	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-70.4	144	-170.9	0	0	0	0	0	112.8	F280 L291 R317	F280-A295 HydrophobicContact CD1-CB 4.07Å; F280-A295 HydrophobicContact CE1-CB 4.12Å; L291-A295 HydrophobicContact CB-CB 4.11Å; L291-A295 HydrophobicContact CD2-CB 3.78Å; L291-A295 WeakPolarHBondContact O-CB 3.34Å; L291-A295 PolarHBondContact O-N 2.86Å; A295-R317 VanDerWaalsContact O-CZ 3.24Å; A295-R317 PolarHBondContact O-NH1 3.21Å; A295-R317 PolarHBondContact O-NH2 3.46Å
296	R	89.9	Confident	90.4	Very high	236 Å²	236	69.3 Å²	69.3	89%	0.891	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-75.4	140.7	168	-66.9	-176.5	178.3	-179.8	-0.2	108.9	G298	R296-G298 PolarHBondContact O-N 2.9Å
297	L	91.1	Very high	90.6	Very high	38 Å²	38	61.1 Å²	61.1	20%	0.199	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-65.1	119.3	173.6	-179.4	70.8	0	0	0	109	F271 P279 F280 M299 L311 F315	F271-L297 HydrophobicContact CD2-CD1 4.06Å; F271-L297 HydrophobicContact CE2-CD1 3.91Å; P279-L297 HydrophobicContact CB-CD1 3.76Å; F280-L297 HydrophobicContact CZ-CB 4.43Å; F280-L297 HydrophobicContact CZ-CD1 4.19Å; L297-M299 HydrophobicContact CD2-CE 3.64Å; L297-M299 PolarHBondContact O-N 2.85Å; L297-L311 HydrophobicContact CD2-CB 4.39Å; L297-F315 HydrophobicContact CD1-CD2 3.93Å; L297-F315 HydrophobicContact CD1-CE2 3.88Å; L297-F315 HydrophobicContact CD2-CB 4.42Å; L297-F315 HydrophobicContact CD2-CD2 3.45Å; L297-F315 VanDerWaalsContact CD2-CD2 3.45Å; L297-F315 HydrophobicContact CD2-CE2 4.05Å; L297-F315 HydrophobicContact CD2-CG 4.27Å; L297-F315 HydrophobicContact CG-CD2 4.28Å
298	G	88.4	Confident	90.7	Very high	57 Å²	57	59.5 Å²	59.5	59%	0.588	31%	0.311	S	S	*	.			trans	-73.8	104.1	169.2	0	0	0	0	0	109.3	R296 P300	R296-G298 PolarHBondContact O-N 2.9Å; G298-P300 WeakPolarHBondContact O-CD 3.27Å
299	M	90.2	Very high	91	Very high	46 Å²	46	61.7 Å²	61.7	23%	0.227	33%	0.327	C	S	.	.			trans	-81.2	121.8	-177.8	-168	62.2	73.7	0	0	110.8	L297 Q308 L311 R312	L297-M299 HydrophobicContact CD2-CE 3.64Å; L297-M299 PolarHBondContact O-N 2.85Å; M299-Q308 HydrophobicContact CE-CB 4.14Å; M299-Q308 WeakPolarHBondContact CE-O 3.48Å; M299-Q308 HydrophobicContact CG-CB 4.03Å; M299-Q308 HydrophobicContact CG-CG 3.6Å; M299-Q308 HydrophobicContact SD-CB 3.84Å; M299-Q308 HydrophobicContact SD-CG 3.71Å; M299-L311 HydrophobicContact CE-CB 3.94Å; M299-L311 HydrophobicContact SD-CB 4.41Å; M299-L311 HydrophobicContact SD-CD1 3.97Å; M299-R312 HydrophobicContact CE-CG 3.7Å
300	P	82.2	Confident	91.2	Very high	22 Å²	22	60 Å²	60	14%	0.143	32%	0.318	C	S	.	.			trans	-69.1	132.6	175.8	-11.4	25.2	0	0	0	111.1	F271 T275 G298 F302 L303	F271-P300 HydrophobicContact CE2-CG 4.07Å; F271-P300 HydrophobicContact CZ-CG 4.25Å; T275-P300 HydrophobicContact CG2-CG 3.63Å; G298-P300 WeakPolarHBondContact O-CD 3.27Å; P300-F302 VanDerWaalsContact C-N 3.34Å; P300-F302 HydrophobicContact CB-CD1 3.73Å; P300-F302 HydrophobicContact CB-CE1 3.33Å; P300-F302 HydrophobicContact CB-CE2 4.42Å; P300-F302 HydrophobicContact CB-CG 4.44Å; P300-F302 HydrophobicContact CB-CZ 3.73Å; P300-F302 HydrophobicContact CG-CE1 4.3Å; P300-F302 HydrophobicContact CG-CZ 4.33Å; P300-L303 HydrophobicContact CB-CD1 4.18Å; P300-L303 HydrophobicContact CB-CG 4.11Å; P300-L303 HydrophobicContact CG-CD1 3.84Å; P300-L303 HydrophobicContact CG-CG 4.31Å; P300-L303 PolarHBondContact O-N 2.99Å
301	Q	81.5	Confident	91.4	Very high	163 Å²	163	57.4 Å²	57.4	76%	0.762	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-22.9	-175.8	-68	-176.8	-9.6	0	0	113.6	L303	Q301-L303 PolarHBondContact O-N 3.37Å
302	F	79.1	Confident	91.5	Very high	66 Å²	66	60.6 Å²	60.6	29%	0.289	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-13	177.3	61.7	-97.5	0	0	0	114.1	T275 P300 A596 N597	T275-F302 HydrophobicContact CG2-CZ 4.1Å; P300-F302 VanDerWaalsContact C-N 3.34Å; P300-F302 HydrophobicContact CB-CD1 3.73Å; P300-F302 HydrophobicContact CB-CE1 3.33Å; P300-F302 HydrophobicContact CB-CE2 4.42Å; P300-F302 HydrophobicContact CB-CG 4.44Å; P300-F302 HydrophobicContact CB-CZ 3.73Å; P300-F302 HydrophobicContact CG-CE1 4.3Å; P300-F302 HydrophobicContact CG-CZ 4.33Å; F302-A596 HydrophobicContact CB-CB 4.19Å; F302-A596 HydrophobicContact CD1-CB 3.91Å; F302-A596 HydrophobicContact CD2-CB 3.85Å; F302-A596 HydrophobicContact CE1-CB 4.17Å; F302-A596 HydrophobicContact CE2-CB 4.12Å; F302-A596 HydrophobicContact CG-CB 3.73Å; F302-A596 HydrophobicContact CZ-CB 4.28Å; F302-N597 VanDerWaalsContact CB-OD1 3.22Å; F302-N597 WeakPolarHBondContact CB-OD1 3.49Å; F302-N597 VanDerWaalsContact CD1-OD1 3.31Å; F302-N597 WeakPolarHBondContact CD1-OD1 3.43Å; F302-N597 PolarHBondContact N-OD1 2.72Å
303	L	84.4	Confident	91.6	Very high	8 Å²	8	61.7 Å²	61.7	4%	0.042	32%	0.318	C	S	.	.	S	Bend	trans	-78.5	145.8	179.6	-62.8	-178.4	0	0	0	111.4	E179 L274 P300 Q301 A307 Q308 L311	E179-L303 WeakPolarHBondContact OE1-CA 3.31Å; L274-L303 HydrophobicContact CB-CD2 4Å; L274-L303 HydrophobicContact CD1-CD1 4.22Å; L274-L303 HydrophobicContact CD1-CD2 4.13Å; L274-L303 HydrophobicContact CD2-CD2 4.21Å; L274-L303 HydrophobicContact CG-CD2 4.35Å; P300-L303 HydrophobicContact CB-CD1 4.18Å; P300-L303 HydrophobicContact CB-CG 4.11Å; P300-L303 HydrophobicContact CG-CD1 3.84Å; P300-L303 HydrophobicContact CG-CG 4.31Å; P300-L303 PolarHBondContact O-N 2.99Å; Q301-L303 PolarHBondContact O-N 3.37Å; L303-A307 HydrophobicContact CB-CB 4.25Å; L303-Q308 HydrophobicContact CB-CG 3.8Å; L303-Q308 PolarHBondContact O-NE2 3.03Å; L303-L311 HydrophobicContact CD1-CD1 3.77Å
304	S	88.1	Confident	91.8	Very high	33 Å²	33	59.4 Å²	59.4	23%	0.231	31%	0.306	C	S	.	.			trans	-57.7	156.5	173.7	68.4	0	0	0	0	112.4	E179 E306 A307 Q308	E179-S304 PolarHBondContact OE1-N 3.44Å; E179-S304 PolarHBondContact OE1-OG 3.34Å; E179-S304 WeakPolarHBondContact OE2-CB 3.29Å; E179-S304 PolarHBondContact OE2-OG 3.07Å; S304-E306 PolarHBondContact O-N 3.38Å; S304-A307 PolarHBondContact O-N 3.18Å; S304-A307 VanDerWaalsContact OG-CB 3.3Å; S304-A307 WeakPolarHBondContact OG-CB 3.32Å; S304-A307 PolarHBondContact OG-N 2.8Å; S304-Q308 VanDerWaalsContact O-CG 3.27Å; S304-Q308 WeakPolarHBondContact O-CG 3.17Å; S304-Q308 PolarHBondContact O-N 3.5Å
305	A	93.6	Very high	92	Very high	64 Å²	64	52.4 Å²	52.4	53%	0.529	28%	0.276	S	S	.	.	H	α-helix	trans	-58.6	-35.2	177	0	0	0	0	0	111.3	S309	A305-S309 WeakPolarHBondContact O-CB 3.37Å; A305-S309 PolarHBondContact O-N 3.43Å
306	E	95.8	Very high	92.1	Very high	98 Å²	98	56.2 Å²	56.2	46%	0.458	29%	0.287	S	S	.	.	H	α-helix	trans	-66.5	-49.8	177.3	-64.6	68.5	-151.7	0	0	111.3	S304 Q308 S309 L310 H336 F338	S304-E306 PolarHBondContact O-N 3.38Å; E306-Q308 PolarHBondContact O-N 2.95Å; E306-S309 WeakPolarHBondContact O-CB 3.48Å; E306-S309 PolarHBondContact O-N 2.75Å; E306-L310 PolarHBondContact O-N 3.18Å; E306-H336 PolarHBondContact O-CE1 2.8Å; E306-F338 HydrophobicContact CB-CB 4.31Å; E306-F338 HydrophobicContact CB-CD2 4.39Å
307	A	95.3	Very high	92.3	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.9	-45.3	177.5	0	0	0	0	0	111.4	M270 L274 L303 S304 S309 L310 L311 F338	M270-A307 HydrophobicContact CE-CB 3.94Å; L274-A307 HydrophobicContact CD1-CB 4.38Å; L303-A307 HydrophobicContact CB-CB 4.25Å; S304-A307 PolarHBondContact O-N 3.18Å; S304-A307 VanDerWaalsContact OG-CB 3.3Å; S304-A307 WeakPolarHBondContact OG-CB 3.32Å; S304-A307 PolarHBondContact OG-N 2.8Å; A307-S309 VanDerWaalsContact C-N 3.32Å; A307-S309 PolarHBondContact O-N 3.27Å; A307-L310 PolarHBondContact O-N 3.2Å; A307-L311 WeakPolarHBondContact O-CG 3.5Å; A307-L311 PolarHBondContact O-N 2.97Å; A307-F338 HydrophobicContact CB-CD2 3.97Å; A307-F338 HydrophobicContact CB-CE2 3.82Å
308	Q	96.5	Very high	92.4	Very high	39 Å²	39	51.5 Å²	51.5	18%	0.182	27%	0.274	C	S	.	.	H	α-helix	trans	-63.2	-38.5	176.2	-64.7	-176.9	34.9	0	0	112.3	M299 L303 S304 E306 R312	M299-Q308 HydrophobicContact CE-CB 4.14Å; M299-Q308 WeakPolarHBondContact CE-O 3.48Å; M299-Q308 HydrophobicContact CG-CB 4.03Å; M299-Q308 HydrophobicContact CG-CG 3.6Å; M299-Q308 HydrophobicContact SD-CB 3.84Å; M299-Q308 HydrophobicContact SD-CG 3.71Å; L303-Q308 HydrophobicContact CB-CG 3.8Å; L303-Q308 PolarHBondContact O-NE2 3.03Å; S304-Q308 VanDerWaalsContact O-CG 3.27Å; S304-Q308 WeakPolarHBondContact O-CG 3.17Å; S304-Q308 PolarHBondContact O-N 3.5Å; E306-Q308 PolarHBondContact O-N 2.95Å; Q308-R312 WeakPolarHBondContact O-CG 3.46Å; Q308-R312 PolarHBondContact O-N 2.86Å; Q308-R312 PolarHBondContact O-NE 2.9Å
309	S	97.8	Very high	92.6	Very high	49 Å²	49	50.2 Å²	50.2	34%	0.343	26%	0.255	S	S	.	.	H	α-helix	trans	-61.6	-47.2	176.1	-178.3	0	0	0	0	111.1	A305 E306 A307 R312 A313 H336	A305-S309 WeakPolarHBondContact O-CB 3.37Å; A305-S309 PolarHBondContact O-N 3.43Å; E306-S309 WeakPolarHBondContact O-CB 3.48Å; E306-S309 PolarHBondContact O-N 2.75Å; A307-S309 VanDerWaalsContact C-N 3.32Å; A307-S309 PolarHBondContact O-N 3.27Å; S309-R312 PolarHBondContact O-N 2.98Å; S309-A313 PolarHBondContact O-N 2.91Å; S309-A313 VanDerWaalsContact O-N 3.08Å; S309-H336 PolarHBondContact OG-NE2 2.78Å
310	L	98.3	Very high	92.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.4	-48.1	179.1	-176.4	52	0	0	0	111.1	M270 E306 A307 R312 A313 L314 L323 H336 F338 F339	M270-L310 HydrophobicContact CE-CB 4.11Å; M270-L310 HydrophobicContact CE-CD2 3.9Å; M270-L310 HydrophobicContact CE-CG 4.24Å; M270-L310 HydrophobicContact SD-CB 4.27Å; M270-L310 HydrophobicContact SD-CD2 3.66Å; M270-L310 HydrophobicContact SD-CG 3.84Å; E306-L310 PolarHBondContact O-N 3.18Å; A307-L310 PolarHBondContact O-N 3.2Å; L310-R312 VanDerWaalsContact C-N 3.32Å; L310-R312 PolarHBondContact O-N 2.83Å; L310-A313 WeakPolarHBondContact O-CB 3.44Å; L310-A313 PolarHBondContact O-N 2.92Å; L310-L314 HydrophobicContact CD1-CD1 3.89Å; L310-L314 HydrophobicContact CD1-CG 4.05Å; L310-L314 HydrophobicContact CG-CD1 3.78Å; L310-L314 HydrophobicContact CG-CG 4.4Å; L310-L314 WeakPolarHBondContact O-CG 3.36Å; L310-L314 PolarHBondContact O-N 3.29Å; L310-L323 HydrophobicContact CD1-CD2 3.61Å; L310-H336 VanDerWaalsContact CB-CE1 3.46Å; L310-H336 WeakPolarHBondContact CB-CE1 3.45Å; L310-H336 HydrophobicContact CD1-CB 4.31Å; L310-H336 PolarHBondContact N-CE1 3.35Å; L310-H336 PolarHBondContact N-NE2 2.64Å; L310-F338 HydrophobicContact CB-CB 4.38Å; L310-F338 HydrophobicContact CD2-CB 3.88Å; L310-F338 HydrophobicContact CD2-CD1 3.49Å; L310-F338 VanDerWaalsContact CD2-CD1 3.49Å; L310-F338 HydrophobicContact CD2-CE1 4.25Å; L310-F338 HydrophobicContact CD2-CG 3.84Å; L310-F339 HydrophobicContact CD2-CD2 4.43Å; L310-F339 HydrophobicContact CD2-CE2 3.6Å; L310-F339 HydrophobicContact CD2-CZ 4.01Å
311	L	98.1	Very high	93.2	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-57.6	-42.5	176.7	-71.6	169.6	0	0	0	111.9	M270 F271 L274 L297 M299 L303 A307 A313 L314 F315	M270-L311 HydrophobicContact CB-CD2 4.07Å; M270-L311 HydrophobicContact CE-CD2 4.4Å; M270-L311 HydrophobicContact CE-CG 4.02Å; M270-L311 HydrophobicContact CG-CD2 3.81Å; M270-L311 HydrophobicContact CG-CG 4.42Å; M270-L311 HydrophobicContact SD-CD2 3.71Å; M270-L311 HydrophobicContact SD-CG 3.9Å; F271-L311 HydrophobicContact CB-CD2 4.03Å; F271-L311 HydrophobicContact CD2-CD1 4.22Å; F271-L311 HydrophobicContact CD2-CD2 4.46Å; L274-L311 HydrophobicContact CD1-CD1 4.47Å; L297-L311 HydrophobicContact CD2-CB 4.39Å; M299-L311 HydrophobicContact CE-CB 3.94Å; M299-L311 HydrophobicContact SD-CB 4.41Å; M299-L311 HydrophobicContact SD-CD1 3.97Å; L303-L311 HydrophobicContact CD1-CD1 3.77Å; A307-L311 WeakPolarHBondContact O-CG 3.5Å; A307-L311 PolarHBondContact O-N 2.97Å; L311-A313 VanDerWaalsContact C-N 3.27Å; L311-A313 PolarHBondContact O-N 2.96Å; L311-L314 PolarHBondContact O-N 3.45Å; L311-F315 HydrophobicContact CB-CD2 4.37Å; L311-F315 HydrophobicContact CD2-CD2 4.43Å; L311-F315 HydrophobicContact CD2-CE2 3.85Å; L311-F315 WeakPolarHBondContact O-CB 3.36Å; L311-F315 WeakPolarHBondContact O-CD2 3.44Å; L311-F315 PolarHBondContact O-N 3.32Å
312	R	97.2	Very high	93.9	Very high	119 Å²	119	48.3 Å²	48.3	45%	0.449	26%	0.26	S	S	.	.	H	α-helix	trans	-62.2	-34.4	175.7	-78.3	-176.6	-73.3	-100.6	1.2	112.9	M299 Q308 S309 L310 K316	M299-R312 HydrophobicContact CE-CG 3.7Å; Q308-R312 WeakPolarHBondContact O-CG 3.46Å; Q308-R312 PolarHBondContact O-N 2.86Å; Q308-R312 PolarHBondContact O-NE 2.9Å; S309-R312 PolarHBondContact O-N 2.98Å; L310-R312 VanDerWaalsContact C-N 3.32Å; L310-R312 PolarHBondContact O-N 2.83Å; R312-K316 WeakPolarHBondContact O-CE 3.47Å
313	A	97.2	Very high	94.7	Very high	22 Å²	22	46.7 Å²	46.7	18%	0.182	26%	0.255	C	S	.	.	H	α-helix	trans	-77.2	-35.8	-179.5	0	0	0	0	0	112.2	S309 L310 L311 K316 L323	S309-A313 PolarHBondContact O-N 2.91Å; S309-A313 VanDerWaalsContact O-N 3.08Å; L310-A313 WeakPolarHBondContact O-CB 3.44Å; L310-A313 PolarHBondContact O-N 2.92Å; L311-A313 VanDerWaalsContact C-N 3.27Å; L311-A313 PolarHBondContact O-N 2.96Å; A313-K316 VanDerWaalsContact O-CG 3.31Å; A313-K316 WeakPolarHBondContact O-CG 3.47Å; A313-L323 HydrophobicContact CB-CB 3.85Å; A313-L323 HydrophobicContact CB-CD2 3.97Å; A313-L323 HydrophobicContact CB-CG 4.41Å; A313-L323 PolarHBondContact O-N 3.31Å
314	L	97.6	Very high	95.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-75.4	-35.2	176.6	-65.7	167.7	0	0	0	112.8	W263 F266 M270 L310 L311 K316 R322 L323 I333	W263-L314 HydrophobicContact CB-CD2 4.28Å; F266-L314 HydrophobicContact CD1-CD1 3.84Å; F266-L314 HydrophobicContact CD1-CD2 4.3Å; F266-L314 HydrophobicContact CE1-CD1 4.28Å; M270-L314 HydrophobicContact SD-CD1 4.31Å; L310-L314 HydrophobicContact CD1-CD1 3.89Å; L310-L314 HydrophobicContact CD1-CG 4.05Å; L310-L314 HydrophobicContact CG-CD1 3.78Å; L310-L314 HydrophobicContact CG-CG 4.4Å; L310-L314 WeakPolarHBondContact O-CG 3.36Å; L310-L314 PolarHBondContact O-N 3.29Å; L311-L314 PolarHBondContact O-N 3.45Å; L314-K316 PolarHBondContact O-N 3.48Å; L314-R322 VanDerWaalsContact O-CD 3.31Å; L314-R322 WeakPolarHBondContact O-CD 3.45Å; L314-R322 VanDerWaalsContact O-CG 3.26Å; L314-R322 WeakPolarHBondContact O-CG 3.47Å; L314-L323 HydrophobicContact CD2-CB 4.49Å; L314-I333 HydrophobicContact CD2-CD1 3.72Å
315	F	97.1	Very high	95.2	Very high	17 Å²	17	45.8 Å²	45.8	8%	0.075	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	27.6	179.6	-71.2	-56.7	0	0	0	114.6	W264 G267 V268 F271 P279 F280 L297 L311 R317	W264-F315 AromaticContact CD2-CD1 3.98Å; W264-F315 HydrophobicContact CD2-CD1 3.98Å; W264-F315 HydrophobicContact CD2-CE1 4.33Å; W264-F315 AromaticContact CE2-CD1 3.92Å; W264-F315 AromaticContact CE3-CD1 3.95Å; W264-F315 HydrophobicContact CE3-CD1 3.95Å; W264-F315 AromaticContact CH2-CD1 3.85Å; W264-F315 HydrophobicContact CH2-CD1 3.85Å; W264-F315 AromaticContact CZ2-CD1 3.86Å; W264-F315 HydrophobicContact CZ2-CD1 3.86Å; W264-F315 HydrophobicContact CZ2-CE1 4.22Å; W264-F315 HydrophobicContact CZ3-CB 4.31Å; W264-F315 AromaticContact CZ3-CD1 3.89Å; W264-F315 HydrophobicContact CZ3-CD1 3.89Å; G267-F315 WeakPolarHBondContact O-CZ 3.45Å; V268-F315 HydrophobicContact CG2-CE1 3.71Å; V268-F315 HydrophobicContact CG2-CZ 4.07Å; F271-F315 HydrophobicContact CB-CE2 4.39Å; F271-F315 HydrophobicContact CB-CZ 4.47Å; P279-F315 HydrophobicContact CB-CZ 4.13Å; P279-F315 HydrophobicContact CG-CE1 4.34Å; P279-F315 HydrophobicContact CG-CZ 3.81Å; F280-F315 HydrophobicContact CE2-CD1 4Å; F280-F315 AromaticContact CE2-CE1 3.99Å; F280-F315 HydrophobicContact CE2-CE1 3.99Å; L297-F315 HydrophobicContact CD1-CD2 3.93Å; L297-F315 HydrophobicContact CD1-CE2 3.88Å; L297-F315 HydrophobicContact CD2-CB 4.42Å; L297-F315 HydrophobicContact CD2-CD2 3.45Å; L297-F315 VanDerWaalsContact CD2-CD2 3.45Å; L297-F315 HydrophobicContact CD2-CE2 4.05Å; L297-F315 HydrophobicContact CD2-CG 4.27Å; L297-F315 HydrophobicContact CG-CD2 4.28Å; L311-F315 HydrophobicContact CB-CD2 4.37Å; L311-F315 HydrophobicContact CD2-CD2 4.43Å; L311-F315 HydrophobicContact CD2-CE2 3.85Å; L311-F315 WeakPolarHBondContact O-CB 3.36Å; L311-F315 WeakPolarHBondContact O-CD2 3.44Å; L311-F315 PolarHBondContact O-N 3.32Å; F315-R317 PolarHBondContact O-N 2.77Å
316	K	96.1	Very high	94.8	Very high	103 Å²	103	44.1 Å²	44.1	45%	0.448	24%	0.238	S	C	.	.			trans	-72.2	118.8	168	-63.4	-71.8	-175.2	177.4	0	109	R312 A313 L314 N321 R322	R312-K316 WeakPolarHBondContact O-CE 3.47Å; A313-K316 VanDerWaalsContact O-CG 3.31Å; A313-K316 WeakPolarHBondContact O-CG 3.47Å; L314-K316 PolarHBondContact O-N 3.48Å; K316-N321 HydrophobicContact CB-CB 4.36Å; K316-N321 WeakPolarHBondContact CG-O 3.03Å; K316-R322 HydrophobicContact CB-CB 4.14Å; K316-R322 PolarHBondContact O-NE 3.49Å; K316-R322 PolarHBondContact O-NH2 3.44Å; K316-R322 VanDerWaalsContact O-NH2 3.1Å
317	R	94	Very high	94.2	Very high	86 Å²	86	44.8 Å²	44.8	33%	0.325	26%	0.26	S	S	.	.	S	Bend	trans	-65.4	-40.3	-178.1	-74	-179.1	160.1	79.8	14.7	113	P249 W264 L291 I292 L293 A295 F315 P319 R322	P249-R317 HydrophobicContact CG-CB 4.41Å; P249-R317 HydrophobicContact CG-CG 4.12Å; W264-R317 HydrophobicContact CH2-CG 4.45Å; W264-R317 HydrophobicContact CZ3-CG 4.37Å; L291-R317 PolarHBondContact O-NH2 2.87Å; I292-R317 PolarHBondContact O-NE 3.19Å; I292-R317 PolarHBondContact O-NH2 3.17Å; L293-R317 PolarHBondContact O-NE 3.37Å; A295-R317 VanDerWaalsContact O-CZ 3.24Å; A295-R317 PolarHBondContact O-NH1 3.21Å; A295-R317 PolarHBondContact O-NH2 3.46Å; F315-R317 PolarHBondContact O-N 2.77Å; R317-P319 VanDerWaalsContact O-CD 3.27Å; R317-P319 WeakPolarHBondContact O-CD 3.22Å; R317-R322 PolarHBondContact O-NH2 3.44Å
318	N	93.2	Very high	93.8	Very high	89 Å²	89	49 Å²	49	48%	0.476	28%	0.283	S	S	.	.	S	Bend	trans	-73	116.3	170.1	-176.9	-8.5	0	0	0	108.2	A320 N321	N318-A320 PolarHBondContact O-N 2.71Å; N318-A320 PolarHBondContact OD1-N 2.82Å; N318-A320 VanDerWaalsContact OD1-N 3.12Å; N318-N321 PolarHBondContact O-N 3.32Å; N318-N321 VanDerWaalsContact O-N 3.11Å
319	P	92.4	Very high	93.5	Very high	31 Å²	31	48 Å²	48	20%	0.201	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-58.4	-33.1	-178.3	-24.1	35.4	0	0	0	113.4	E250 R317 N321 R322 S325	E250-P319 HydrophobicContact CB-CG 4.13Å; E250-P319 HydrophobicContact CG-CG 3.93Å; E250-P319 WeakPolarHBondContact OE1-CG 3.49Å; R317-P319 VanDerWaalsContact O-CD 3.27Å; R317-P319 WeakPolarHBondContact O-CD 3.22Å; P319-N321 PolarHBondContact O-N 2.78Å; P319-R322 VanDerWaalsContact O-CB 3.27Å; P319-R322 WeakPolarHBondContact O-CB 3.46Å; P319-R322 PolarHBondContact O-N 3.46Å; P319-R322 VanDerWaalsContact O-N 3.08Å; P319-S325 WeakPolarHBondContact O-CB 3.23Å; P319-S325 PolarHBondContact O-OG 3.47Å
320	A	91.2	Very high	93.3	Very high	76 Å²	76	45.8 Å²	45.8	63%	0.628	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-65.4	-23.6	179.9	0	0	0	0	0	113.6	N318	N318-A320 PolarHBondContact O-N 2.71Å; N318-A320 PolarHBondContact OD1-N 2.82Å; N318-A320 VanDerWaalsContact OD1-N 3.12Å
321	N	93.9	Very high	93.2	Very high	112 Å²	112	49.5 Å²	49.5	60%	0.599	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-97.3	0.7	178.5	-65.2	-21.7	0	0	0	112.3	K316 N318 P319	K316-N321 HydrophobicContact CB-CB 4.36Å; K316-N321 WeakPolarHBondContact CG-O 3.03Å; N318-N321 PolarHBondContact O-N 3.32Å; N318-N321 VanDerWaalsContact O-N 3.11Å; P319-N321 PolarHBondContact O-N 2.78Å
322	R	96.2	Very high	93.1	Very high	3 Å²	3	51.9 Å²	51.9	1%	0.011	30%	0.296	C	S	.	.	S	Bend	trans	-85.1	131.6	-174.8	-170.8	180	-56.8	140.1	2.5	109.7	E250 S260 L314 K316 R317 P319 G324 S325	E250-R322 IonicContact OE1-CZ 3.52Å; E250-R322 IonicContact OE1-NH1 2.7Å; E250-R322 PolarHBondContact OE1-NH1 2.94Å; E250-R322 IonicContact OE1-NH2 3.42Å; E250-R322 PolarHBondContact OE1-NH2 3.41Å; E250-R322 IonicContact OE2-CZ 3.75Å; E250-R322 IonicContact OE2-NH1 3.65Å; E250-R322 IonicContact OE2-NH2 2.91Å; E250-R322 PolarHBondContact OE2-NH2 3.33Å; S260-R322 WeakPolarHBondContact O-CD 3.25Å; S260-R322 PolarHBondContact O-NH1 3.25Å; L314-R322 VanDerWaalsContact O-CD 3.31Å; L314-R322 WeakPolarHBondContact O-CD 3.45Å; L314-R322 VanDerWaalsContact O-CG 3.26Å; L314-R322 WeakPolarHBondContact O-CG 3.47Å; K316-R322 HydrophobicContact CB-CB 4.14Å; K316-R322 PolarHBondContact O-NE 3.49Å; K316-R322 PolarHBondContact O-NH2 3.44Å; K316-R322 VanDerWaalsContact O-NH2 3.1Å; R317-R322 PolarHBondContact O-NH2 3.44Å; P319-R322 VanDerWaalsContact O-CB 3.27Å; P319-R322 WeakPolarHBondContact O-CB 3.46Å; P319-R322 PolarHBondContact O-N 3.46Å; P319-R322 VanDerWaalsContact O-N 3.08Å; R322-G324 PolarHBondContact O-N 3.02Å; R322-S325 WeakPolarHBondContact O-CB 3.46Å; R322-S325 PolarHBondContact O-N 3.3Å; R322-S325 PolarHBondContact O-OG 2.87Å; R322-S325 VanDerWaalsContact O-OG 3.05Å
323	L	95.9	Very high	93.1	Very high	32 Å²	32	46.2 Å²	46.2	17%	0.168	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	134.1	177.3	-165.5	70	0	0	0	110.2	L310 A313 L314 E332 I333 H336	L310-L323 HydrophobicContact CD1-CD2 3.61Å; A313-L323 HydrophobicContact CB-CB 3.85Å; A313-L323 HydrophobicContact CB-CD2 3.97Å; A313-L323 HydrophobicContact CB-CG 4.41Å; A313-L323 PolarHBondContact O-N 3.31Å; L314-L323 HydrophobicContact CD2-CB 4.49Å; L323-E332 HydrophobicContact CD1-CB 3.78Å; L323-E332 HydrophobicContact CG-CB 4.25Å; L323-I333 HydrophobicContact CB-CD1 4.16Å; L323-I333 HydrophobicContact CD2-CD1 3.77Å; L323-I333 HydrophobicContact CG-CD1 3.74Å; L323-H336 HydrophobicContact CD2-CB 4.4Å
324	G	92.6	Very high	93.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	-3.6	-176.9	0	0	0	0	0	114.7	W263 R322 G329 E332	W263-G324 VanDerWaalsContact CD1-O 3.3Å; W263-G324 PolarHBondContact NE1-O 2.89Å; R322-G324 PolarHBondContact O-N 3.02Å; G324-G329 WeakPolarHBondContact CA-O 3.44Å; G324-E332 PolarHBondContact N-OE2 2.81Å
325	S	88.8	Confident	93	Very high	21 Å²	21	53.3 Å²	53.3	15%	0.147	30%	0.297	C	S	.	.			trans	-102.8	-4.5	-179	-46.2	0	0	0	0	113.5	S260 P319 R322	S260-S325 WeakPolarHBondContact CB-OG 3.44Å; P319-S325 WeakPolarHBondContact O-CB 3.23Å; P319-S325 PolarHBondContact O-OG 3.47Å; R322-S325 WeakPolarHBondContact O-CB 3.46Å; R322-S325 PolarHBondContact O-N 3.3Å; R322-S325 PolarHBondContact O-OG 2.87Å; R322-S325 VanDerWaalsContact O-OG 3.05Å
326	G	85.3	Confident	93.1	Very high	30 Å²	30	54 Å²	54	31%	0.309	30%	0.3	S	S	.	.	S	Bend	trans	-76.5	-176.5	175.9	0	0	0	0	0	113.2	D328 G329 E332	G326-D328 PolarHBondContact O-N 3.37Å; G326-G329 PolarHBondContact O-N 3.48Å; G326-E332 WeakPolarHBondContact CA-OE1 3.47Å
327	A	84.6	Confident	93.2	Very high	112 Å²	112	50.9 Å²	50.9	93%	0.926	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.8	-178.4	0	0	0	0	0	113.2	G329	A327-G329 VanDerWaalsContact C-N 3.29Å
328	D	86.6	Confident	93.4	Very high	89 Å²	89	47 Å²	47	48%	0.476	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-5.2	178.2	-73.3	-0.8	0	0	0	112.7	G326 A330 E331 E332 R335	G326-D328 PolarHBondContact O-N 3.37Å; D328-A330 PolarHBondContact O-N 2.75Å; D328-E331 HydrophobicContact CB-CB 4.32Å; D328-E331 VanDerWaalsContact O-CB 3.27Å; D328-E331 WeakPolarHBondContact O-CB 3.43Å; D328-E331 PolarHBondContact O-N 2.66Å; D328-E332 HydrophobicContact CB-CG 3.89Å; D328-R335 IonicContact OD2-CZ 3.54Å; D328-R335 IonicContact OD2-NH1 3.51Å; D328-R335 IonicContact OD2-NH2 2.72Å; D328-R335 PolarHBondContact OD2-NH2 3.04Å
329	G	89.8	Confident	93.6	Very high	17 Å²	17	42.9 Å²	42.9	18%	0.175	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	-129.3	175.5	0	0	0	0	0	113	G324 G326 A327 E331 E332	G324-G329 WeakPolarHBondContact CA-O 3.44Å; G326-G329 PolarHBondContact O-N 3.48Å; A327-G329 VanDerWaalsContact C-N 3.29Å; G329-E331 PolarHBondContact O-N 2.75Å; G329-E331 VanDerWaalsContact O-N 3.13Å; G329-E332 WeakPolarHBondContact O-CB 3.03Å; G329-E332 PolarHBondContact O-N 2.97Å
330	A	93.6	Very high	93.7	Very high	3 Å²	3	46 Å²	46	3%	0.025	28%	0.284	C	S	.	.	H	α-helix	trans	-60.8	-21.1	-178.9	0	0	0	0	0	114.1	D194 W263 D328 E332 I333 K334	D194-A330 HydrophobicContact CB-CB 3.53Å; D194-A330 VanDerWaalsContact CG-CB 3.41Å; D194-A330 VanDerWaalsContact OD1-CB 3.28Å; D194-A330 WeakPolarHBondContact OD1-CB 3.38Å; W263-A330 HydrophobicContact CH2-CB 3.93Å; W263-A330 HydrophobicContact CZ2-CB 3.7Å; D328-A330 PolarHBondContact O-N 2.75Å; A330-E332 PolarHBondContact O-N 2.89Å; A330-I333 WeakPolarHBondContact O-CA 3.39Å; A330-I333 VanDerWaalsContact O-CB 3.26Å; A330-I333 WeakPolarHBondContact O-CB 3.24Å; A330-I333 PolarHBondContact O-N 3.46Å; A330-K334 WeakPolarHBondContact O-CG 3.35Å; A330-K334 PolarHBondContact O-N 3.4Å
331	E	95.7	Very high	93.8	Very high	78 Å²	78	46.9 Å²	46.9	36%	0.364	28%	0.282	S	S	.	.	H	α-helix	trans	-62.9	-28.2	178.1	-65.4	-60.5	130.1	0	0	112.2	D328 G329 I333 K334 R335	D328-E331 HydrophobicContact CB-CB 4.32Å; D328-E331 VanDerWaalsContact O-CB 3.27Å; D328-E331 WeakPolarHBondContact O-CB 3.43Å; D328-E331 PolarHBondContact O-N 2.66Å; G329-E331 PolarHBondContact O-N 2.75Å; G329-E331 VanDerWaalsContact O-N 3.13Å; E331-I333 VanDerWaalsContact C-N 3.28Å; E331-I333 PolarHBondContact O-N 3.49Å; E331-K334 PolarHBondContact O-N 3.27Å; E331-K334 WeakPolarHBondContact OE1-CD 3.44Å; E331-K334 WeakPolarHBondContact OE1-CE 3.3Å; E331-K334 IonicContact OE1-NZ 3.85Å; E331-K334 PolarHBondContact OE1-NZ 3.39Å; E331-R335 WeakPolarHBondContact O-CG 3.5Å; E331-R335 PolarHBondContact O-N 2.94Å
332	E	96.1	Very high	94	Very high	49 Å²	49	42.8 Å²	42.8	23%	0.229	26%	0.26	C	S	.	.	H	α-helix	trans	-62.4	-37.8	171.4	-61.6	-178	171.7	0	0	112	L323 G324 G326 D328 G329 A330 H336	L323-E332 HydrophobicContact CD1-CB 3.78Å; L323-E332 HydrophobicContact CG-CB 4.25Å; G324-E332 PolarHBondContact N-OE2 2.81Å; G326-E332 WeakPolarHBondContact CA-OE1 3.47Å; D328-E332 HydrophobicContact CB-CG 3.89Å; G329-E332 WeakPolarHBondContact O-CB 3.03Å; G329-E332 PolarHBondContact O-N 2.97Å; A330-E332 PolarHBondContact O-N 2.89Å; E332-H336 PolarHBondContact O-N 3.2Å
333	I	96.8	Very high	94	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-68	-47.3	176	-54.7	-74.7	0	0	0	108.9	A190 W263 F266 L314 L323 A330 E331 R335 H336 F339	A190-I333 HydrophobicContact CB-CG2 4.37Å; W263-I333 HydrophobicContact CD2-CD1 4.29Å; W263-I333 HydrophobicContact CD2-CG1 4.27Å; W263-I333 HydrophobicContact CE3-CD1 4.01Å; W263-I333 HydrophobicContact CE3-CG1 4.01Å; W263-I333 HydrophobicContact CH2-CG1 4.05Å; W263-I333 HydrophobicContact CZ2-CG1 4.27Å; W263-I333 HydrophobicContact CZ3-CD1 4.33Å; W263-I333 HydrophobicContact CZ3-CG1 3.91Å; W263-I333 HydrophobicContact CZ3-CG2 4.45Å; F266-I333 HydrophobicContact CE1-CG2 4.49Å; F266-I333 HydrophobicContact CZ-CG2 4.41Å; L314-I333 HydrophobicContact CD2-CD1 3.72Å; L323-I333 HydrophobicContact CB-CD1 4.16Å; L323-I333 HydrophobicContact CD2-CD1 3.77Å; L323-I333 HydrophobicContact CG-CD1 3.74Å; A330-I333 WeakPolarHBondContact O-CA 3.39Å; A330-I333 VanDerWaalsContact O-CB 3.26Å; A330-I333 WeakPolarHBondContact O-CB 3.24Å; A330-I333 PolarHBondContact O-N 3.46Å; E331-I333 VanDerWaalsContact C-N 3.28Å; E331-I333 PolarHBondContact O-N 3.49Å; I333-R335 VanDerWaalsContact C-N 3.27Å; I333-R335 PolarHBondContact O-N 2.86Å; I333-H336 WeakPolarHBondContact O-CB 3.24Å; I333-H336 PolarHBondContact O-N 3.21Å; I333-H336 VanDerWaalsContact O-N 3.09Å; I333-F339 HydrophobicContact CG2-CD2 4.37Å; I333-F339 HydrophobicContact CG2-CE2 3.69Å; I333-F339 HydrophobicContact CG2-CZ 4.34Å; I333-F339 VanDerWaalsContact O-CD2 3.24Å; I333-F339 WeakPolarHBondContact O-CD2 3.3Å
334	K	97.2	Very high	94.1	Very high	27 Å²	27	46.3 Å²	46.3	12%	0.117	28%	0.275	C	S	.	.	H	α-helix	trans	-61.2	-33.4	-177.6	-62.3	-178.2	-164.8	162.4	0	113.3	D194 A330 E331 W344	D194-K334 IonicContact OD2-NZ 3.43Å; D194-K334 PolarHBondContact OD2-NZ 3.15Å; A330-K334 WeakPolarHBondContact O-CG 3.35Å; A330-K334 PolarHBondContact O-N 3.4Å; E331-K334 PolarHBondContact O-N 3.27Å; E331-K334 WeakPolarHBondContact OE1-CD 3.44Å; E331-K334 WeakPolarHBondContact OE1-CE 3.3Å; E331-K334 IonicContact OE1-NZ 3.85Å; E331-K334 PolarHBondContact OE1-NZ 3.39Å; K334-W344 VanDerWaalsContact CA-CZ2 3.41Å; K334-W344 HydrophobicContact CB-CD2 4.16Å; K334-W344 HydrophobicContact CB-CH2 4.24Å; K334-W344 HydrophobicContact CB-CZ2 3.7Å; K334-W344 HydrophobicContact CD-CD2 4.01Å; K334-W344 HydrophobicContact CD-CE3 4.01Å; K334-W344 HydrophobicContact CD-CG 4.46Å; K334-W344 HydrophobicContact CD-CZ3 4.33Å; K334-W344 HydrophobicContact CG-CD2 3.88Å; K334-W344 HydrophobicContact CG-CE3 3.91Å; K334-W344 HydrophobicContact CG-CH2 3.73Å; K334-W344 HydrophobicContact CG-CZ2 3.71Å; K334-W344 HydrophobicContact CG-CZ3 3.82Å; K334-W344 PolarHBondContact O-NE1 3.09Å
335	R	96.9	Very high	94.3	Very high	145 Å²	145	51.7 Å²	51.7	55%	0.547	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-9.9	178.1	-68.9	-174.4	-59.7	-110.5	9.6	114.5	D328 E331 I333	D328-R335 IonicContact OD2-CZ 3.54Å; D328-R335 IonicContact OD2-NH1 3.51Å; D328-R335 IonicContact OD2-NH2 2.72Å; D328-R335 PolarHBondContact OD2-NH2 3.04Å; E331-R335 WeakPolarHBondContact O-CG 3.5Å; E331-R335 PolarHBondContact O-N 2.94Å; I333-R335 VanDerWaalsContact C-N 3.27Å; I333-R335 PolarHBondContact O-N 2.86Å
336	H	98.3	Very high	94.6	Very high	30 Å²	30	55.2 Å²	55.2	14%	0.139	32%	0.317	C	S	.	.	S	Bend	trans	-65.6	139	-178.2	-171.7	-85.6	0	0	0	111.1	E306 S309 L310 L323 E332 I333 F338 F339	E306-H336 PolarHBondContact O-CE1 2.8Å; S309-H336 PolarHBondContact OG-NE2 2.78Å; L310-H336 VanDerWaalsContact CB-CE1 3.46Å; L310-H336 WeakPolarHBondContact CB-CE1 3.45Å; L310-H336 HydrophobicContact CD1-CB 4.31Å; L310-H336 PolarHBondContact N-CE1 3.35Å; L310-H336 PolarHBondContact N-NE2 2.64Å; L323-H336 HydrophobicContact CD2-CB 4.4Å; E332-H336 PolarHBondContact O-N 3.2Å; I333-H336 WeakPolarHBondContact O-CB 3.24Å; I333-H336 PolarHBondContact O-N 3.21Å; I333-H336 VanDerWaalsContact O-N 3.09Å; H336-F338 WeakPolarHBondContact ND1-CB 3.29Å; H336-F338 PolarHBondContact ND1-N 2.6Å; H336-F338 PolarHBondContact O-N 3.28Å; H336-F339 HydrophobicContact CB-CD2 4.45Å; H336-F339 PolarHBondContact O-N 3.38Å
337	G	97.6	Very high	95.2	Very high	39 Å²	39	53.8 Å²	53.8	40%	0.402	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-56.4	-25.6	-173.4	0	0	0	0	0	115.3	F339 S340	G337-F339 PolarHBondContact O-N 2.82Å; G337-S340 VanDerWaalsContact O-CB 3.22Å; G337-S340 WeakPolarHBondContact O-CB 3.38Å; G337-S340 PolarHBondContact O-N 2.85Å; G337-S340 VanDerWaalsContact O-N 3.13Å; G337-S340 PolarHBondContact O-OG 2.78Å
338	F	97.9	Very high	95.7	Very high	5 Å²	5	53.1 Å²	53.1	2%	0.022	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-56.3	-33.8	171.8	-175.4	-105.4	0	0	0	113	E179 V182 K183 L186 M270 E306 A307 L310 H336	E179-F338 HydrophobicContact CB-CE2 4.42Å; V182-F338 HydrophobicContact CG1-CE1 4.44Å; V182-F338 HydrophobicContact CG1-CZ 4.11Å; K183-F338 HydrophobicContact CB-CD1 4.47Å; K183-F338 HydrophobicContact CB-CE1 3.73Å; K183-F338 HydrophobicContact CB-CZ 3.85Å; K183-F338 WeakPolarHBondContact CD-O 3.31Å; K183-F338 WeakPolarHBondContact CE-O 3.18Å; K183-F338 HydrophobicContact CG-CD1 4.23Å; K183-F338 HydrophobicContact CG-CE1 3.98Å; K183-F338 HydrophobicContact CG-CZ 4.41Å; K183-F338 WeakPolarHBondContact CG-O 3.48Å; L186-F338 HydrophobicContact CD1-CE1 4.43Å; M270-F338 HydrophobicContact CE-CD1 4.39Å; M270-F338 HydrophobicContact CE-CD2 4.33Å; M270-F338 HydrophobicContact CE-CE1 4.1Å; M270-F338 HydrophobicContact CE-CE2 4.07Å; M270-F338 HydrophobicContact CE-CG 4.49Å; M270-F338 HydrophobicContact CE-CZ 3.95Å; E306-F338 HydrophobicContact CB-CB 4.31Å; E306-F338 HydrophobicContact CB-CD2 4.39Å; A307-F338 HydrophobicContact CB-CD2 3.97Å; A307-F338 HydrophobicContact CB-CE2 3.82Å; L310-F338 HydrophobicContact CB-CB 4.38Å; L310-F338 HydrophobicContact CD2-CB 3.88Å; L310-F338 HydrophobicContact CD2-CD1 3.49Å; L310-F338 VanDerWaalsContact CD2-CD1 3.49Å; L310-F338 HydrophobicContact CD2-CE1 4.25Å; L310-F338 HydrophobicContact CD2-CG 3.84Å; H336-F338 WeakPolarHBondContact ND1-CB 3.29Å; H336-F338 PolarHBondContact ND1-N 2.6Å; H336-F338 PolarHBondContact O-N 3.28Å
339	F	98.1	Very high	96.1	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.009	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-97.8	13	179.5	-60.5	-74.8	0	0	0	113.8	K183 L186 A187 F266 L310 I333 H336 G337 T341 I342 W344	K183-F339 HydrophobicContact CG-CD1 3.83Å; K183-F339 HydrophobicContact CG-CE1 4.31Å; L186-F339 HydrophobicContact CB-CE1 3.93Å; L186-F339 HydrophobicContact CB-CZ 3.97Å; A187-F339 HydrophobicContact CB-CD1 4.03Å; A187-F339 HydrophobicContact CB-CE1 4.08Å; F266-F339 HydrophobicContact CE1-CZ 4.4Å; F266-F339 HydrophobicContact CZ-CZ 4.15Å; L310-F339 HydrophobicContact CD2-CD2 4.43Å; L310-F339 HydrophobicContact CD2-CE2 3.6Å; L310-F339 HydrophobicContact CD2-CZ 4.01Å; I333-F339 HydrophobicContact CG2-CD2 4.37Å; I333-F339 HydrophobicContact CG2-CE2 3.69Å; I333-F339 HydrophobicContact CG2-CZ 4.34Å; I333-F339 VanDerWaalsContact O-CD2 3.24Å; I333-F339 WeakPolarHBondContact O-CD2 3.3Å; H336-F339 HydrophobicContact CB-CD2 4.45Å; H336-F339 PolarHBondContact O-N 3.38Å; G337-F339 PolarHBondContact O-N 2.82Å; F339-T341 PolarHBondContact O-N 2.9Å; F339-I342 HydrophobicContact CB-CG1 4.38Å; F339-I342 HydrophobicContact CD1-CG1 4.28Å; F339-I342 WeakPolarHBondContact O-CB 3.21Å; F339-I342 PolarHBondContact O-N 2.85Å; F339-W344 HydrophobicContact CB-CH2 4.49Å; F339-W344 HydrophobicContact CB-CZ2 3.63Å; F339-W344 HydrophobicContact CD1-CH2 4.14Å; F339-W344 HydrophobicContact CD1-CZ2 4.08Å; F339-W344 HydrophobicContact CD2-CZ2 4.33Å; F339-W344 HydrophobicContact CG-CH2 4.18Å; F339-W344 AromaticContact CG-CZ2 3.78Å; F339-W344 HydrophobicContact CG-CZ2 3.78Å
340	S	95.3	Very high	96.4	Very high	97 Å²	97	58.7 Å²	58.7	68%	0.678	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.1	-174.8	54.1	0	0	0	0	114.9	G337	G337-S340 VanDerWaalsContact O-CB 3.22Å; G337-S340 WeakPolarHBondContact O-CB 3.38Å; G337-S340 PolarHBondContact O-N 2.85Å; G337-S340 VanDerWaalsContact O-N 3.13Å; G337-S340 PolarHBondContact O-OG 2.78Å
341	T	93.5	Very high	96.3	Very high	93 Å²	93	63.9 Å²	63.9	57%	0.571	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-2.7	179.3	59.5	0	0	0	0	113.9	K183 F339	K183-T341 WeakPolarHBondContact CD-OG1 3.44Å; K183-T341 PolarHBondContact NZ-OG1 3.22Å; F339-T341 PolarHBondContact O-N 2.9Å
342	I	96.4	Very high	96	Very high	27 Å²	27	62.1 Å²	62.1	14%	0.138	31%	0.306	C	S	.	.			trans	-90	123.4	-176.9	-60.8	-60.8	0	0	0	110.6	K183 A187 F339 W344 L347	K183-I342 HydrophobicContact CD-CD1 4.08Å; K183-I342 HydrophobicContact CD-CG1 4Å; K183-I342 HydrophobicContact CG-CD1 4.1Å; K183-I342 HydrophobicContact CG-CG1 3.95Å; A187-I342 HydrophobicContact CB-CD1 4.5Å; A187-I342 HydrophobicContact CB-CG1 4.19Å; A187-I342 HydrophobicContact CB-CG2 4Å; F339-I342 HydrophobicContact CB-CG1 4.38Å; F339-I342 HydrophobicContact CD1-CG1 4.28Å; F339-I342 WeakPolarHBondContact O-CB 3.21Å; F339-I342 PolarHBondContact O-N 2.85Å; I342-W344 HydrophobicContact CG2-CD2 4.03Å; I342-W344 HydrophobicContact CG2-CE3 4.44Å; I342-W344 HydrophobicContact CG2-CG 4.27Å; I342-W344 HydrophobicContact CG2-CZ2 4.43Å; I342-W344 PolarHBondContact O-N 3.06Å; I342-L347 HydrophobicContact CG2-CB 4.5Å; I342-L347 HydrophobicContact CG2-CD2 3.89Å
343	D	96.7	Very high	95.4	Very high	65 Å²	65	68.1 Å²	68.1	35%	0.348	33%	0.331	S	S	.	.			trans	-86.2	97.9	163.5	-175	-31.5	0	0	0	108.9	N345 K346 L347	D343-N345 VanDerWaalsContact C-N 3.25Å; D343-N345 PolarHBondContact O-N 3.27Å; D343-N345 PolarHBondContact OD1-N 3.36Å; D343-K346 HydrophobicContact CB-CB 4.06Å; D343-K346 HydrophobicContact CB-CD 4.12Å; D343-K346 HydrophobicContact CB-CG 4.2Å; D343-K346 VanDerWaalsContact CG-CG 3.48Å; D343-K346 PolarHBondContact O-N 2.72Å; D343-K346 PolarHBondContact OD1-N 2.85Å; D343-K346 WeakPolarHBondContact OD2-CD 3.35Å; D343-K346 WeakPolarHBondContact OD2-CE 2.94Å; D343-K346 WeakPolarHBondContact OD2-CG 3.26Å; D343-K346 IonicContact OD2-NZ 3.54Å; D343-L347 WeakPolarHBondContact O-CB 3.44Å; D343-L347 PolarHBondContact O-N 2.58Å
344	W	97.4	Very high	94.9	Very high	43 Å²	43	69 Å²	69	16%	0.163	34%	0.337	C	S	.	.	H	α-helix	trans	-59.7	-32.5	-175.8	-65.9	94.8	0	0	0	113.7	A187 A190 L191 K334 F339 I342 F348	A187-W344 HydrophobicContact CB-CE3 4.5Å; A187-W344 HydrophobicContact CB-CH2 3.71Å; A187-W344 HydrophobicContact CB-CZ2 4.43Å; A187-W344 HydrophobicContact CB-CZ3 3.76Å; A187-W344 WeakPolarHBondContact O-CZ3 3.38Å; A190-W344 HydrophobicContact CB-CH2 4.27Å; A190-W344 HydrophobicContact CB-CZ3 4.18Å; L191-W344 HydrophobicContact CD1-CE3 4.14Å; L191-W344 HydrophobicContact CD2-CE3 3.98Å; L191-W344 HydrophobicContact CG-CE3 3.88Å; L191-W344 HydrophobicContact CG-CZ3 4.09Å; K334-W344 VanDerWaalsContact CA-CZ2 3.41Å; K334-W344 HydrophobicContact CB-CD2 4.16Å; K334-W344 HydrophobicContact CB-CH2 4.24Å; K334-W344 HydrophobicContact CB-CZ2 3.7Å; K334-W344 HydrophobicContact CD-CD2 4.01Å; K334-W344 HydrophobicContact CD-CE3 4.01Å; K334-W344 HydrophobicContact CD-CG 4.46Å; K334-W344 HydrophobicContact CD-CZ3 4.33Å; K334-W344 HydrophobicContact CG-CD2 3.88Å; K334-W344 HydrophobicContact CG-CE3 3.91Å; K334-W344 HydrophobicContact CG-CH2 3.73Å; K334-W344 HydrophobicContact CG-CZ2 3.71Å; K334-W344 HydrophobicContact CG-CZ3 3.82Å; K334-W344 PolarHBondContact O-NE1 3.09Å; F339-W344 HydrophobicContact CB-CH2 4.49Å; F339-W344 HydrophobicContact CB-CZ2 3.63Å; F339-W344 HydrophobicContact CD1-CH2 4.14Å; F339-W344 HydrophobicContact CD1-CZ2 4.08Å; F339-W344 HydrophobicContact CD2-CZ2 4.33Å; F339-W344 HydrophobicContact CG-CH2 4.18Å; F339-W344 AromaticContact CG-CZ2 3.78Å; F339-W344 HydrophobicContact CG-CZ2 3.78Å; I342-W344 HydrophobicContact CG2-CD2 4.03Å; I342-W344 HydrophobicContact CG2-CE3 4.44Å; I342-W344 HydrophobicContact CG2-CG 4.27Å; I342-W344 HydrophobicContact CG2-CZ2 4.43Å; I342-W344 PolarHBondContact O-N 3.06Å; W344-F348 WeakPolarHBondContact O-CB 3.07Å; W344-F348 PolarHBondContact O-N 3.46Å
345	N	96.9	Very high	94	Very high	113 Å²	113	69.9 Å²	69.9	60%	0.604	35%	0.345	S	S	*	.	H	α-helix	trans	-74.3	-44	-179.6	-73.1	-41.4	0	0	0	111.1	D343 L347 F348 R349	D343-N345 VanDerWaalsContact C-N 3.25Å; D343-N345 PolarHBondContact O-N 3.27Å; D343-N345 PolarHBondContact OD1-N 3.36Å; N345-L347 VanDerWaalsContact C-N 3.3Å; N345-F348 PolarHBondContact O-N 3.12Å; N345-R349 WeakPolarHBondContact O-CG 3.11Å; N345-R349 PolarHBondContact O-N 3.3Å; N345-R349 VanDerWaalsContact O-N 3.14Å; N345-R349 PolarHBondContact O-NH1 2.7Å
346	K	96.9	Very high	93	Very high	95 Å²	95	63.4 Å²	63.4	41%	0.413	32%	0.321	S	S	.	.	H	α-helix	trans	-63.6	-39.3	172.5	-69.9	-175.3	-175.7	170.4	0	111.3	D343 R349 R350 E351 V352	D343-K346 HydrophobicContact CB-CB 4.06Å; D343-K346 HydrophobicContact CB-CD 4.12Å; D343-K346 HydrophobicContact CB-CG 4.2Å; D343-K346 VanDerWaalsContact CG-CG 3.48Å; D343-K346 PolarHBondContact O-N 2.72Å; D343-K346 PolarHBondContact OD1-N 2.85Å; D343-K346 WeakPolarHBondContact OD2-CD 3.35Å; D343-K346 WeakPolarHBondContact OD2-CE 2.94Å; D343-K346 WeakPolarHBondContact OD2-CG 3.26Å; D343-K346 IonicContact OD2-NZ 3.54Å; K346-R349 CarbonylContact O-C 3.49Å; K346-R349 PolarHBondContact O-N 3.23Å; K346-R350 PolarHBondContact O-N 3.41Å; K346-R350 VanDerWaalsContact O-N 3.15Å; K346-E351 HydrophobicContact CB-CB 4.09Å; K346-E351 WeakPolarHBondContact CG-OE2 3.36Å; K346-E351 PolarHBondContact O-N 2.72Å; K346-V352 HydrophobicContact CB-CG2 3.78Å
347	L	96.7	Very high	92	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-62.2	-49.6	177.7	-170.3	67.3	0	0	0	110.7	F141 F184 A187 E188 L191 I342 D343 N345 R349 R350 V352	F141-L347 HydrophobicContact CZ-CG 4.39Å; F141-L347 VanDerWaalsContact CZ-O 3.32Å; F141-L347 WeakPolarHBondContact CZ-O 3.5Å; F184-L347 HydrophobicContact CD2-CD1 4.11Å; F184-L347 HydrophobicContact CE2-CD1 3.63Å; F184-L347 HydrophobicContact CZ-CD1 4.11Å; A187-L347 HydrophobicContact CB-CD2 3.35Å; E188-L347 HydrophobicContact CG-CD1 3.77Å; E188-L347 HydrophobicContact CG-CD2 4.04Å; E188-L347 HydrophobicContact CG-CG 4Å; L191-L347 HydrophobicContact CD1-CB 4.4Å; L191-L347 HydrophobicContact CD1-CD2 4.03Å; L191-L347 HydrophobicContact CD1-CG 4.21Å; I342-L347 HydrophobicContact CG2-CB 4.5Å; I342-L347 HydrophobicContact CG2-CD2 3.89Å; D343-L347 WeakPolarHBondContact O-CB 3.44Å; D343-L347 PolarHBondContact O-N 2.58Å; N345-L347 VanDerWaalsContact C-N 3.3Å; L347-R349 PolarHBondContact O-N 3.41Å; L347-R350 WeakPolarHBondContact O-CA 3.3Å; L347-R350 PolarHBondContact O-N 3.25Å; L347-V352 HydrophobicContact CB-CG2 4.24Å; L347-V352 HydrophobicContact CD1-CB 4Å; L347-V352 HydrophobicContact CD1-CG2 4.27Å
348	F	96.2	Very high	90.7	Very high	98 Å²	98	67.7 Å²	67.7	43%	0.43	33%	0.325	S	S	.	.	H	α-helix	trans	-56	-38.3	176	-178.7	-94.4	0	0	0	112.8	H139 P140 L191 W344 N345 R350	H139-F348 AromaticContact CD2-CE2 3.74Å; H139-F348 AromaticContact NE2-CD2 3.81Å; H139-F348 AromaticContact NE2-CE2 3.42Å; H139-F348 WeakPolarHBondContact NE2-CE2 3Å; P140-F348 HydrophobicContact CG-CD2 4.08Å; P140-F348 HydrophobicContact CG-CE2 3.96Å; P140-F348 HydrophobicContact CG-CZ 4.37Å; L191-F348 HydrophobicContact CD1-CB 4.15Å; W344-F348 WeakPolarHBondContact O-CB 3.07Å; W344-F348 PolarHBondContact O-N 3.46Å; N345-F348 PolarHBondContact O-N 3.12Å; F348-R350 PolarHBondContact O-N 2.74Å
349	R	95.1	Very high	89.1	Confident	132 Å²	132	67.6 Å²	67.6	50%	0.498	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	4.1	175.3	-66	-167.6	-56	-83.8	-8.9	114.5	N345 K346 L347 E351	N345-R349 WeakPolarHBondContact O-CG 3.11Å; N345-R349 PolarHBondContact O-N 3.3Å; N345-R349 VanDerWaalsContact O-N 3.14Å; N345-R349 PolarHBondContact O-NH1 2.7Å; K346-R349 CarbonylContact O-C 3.49Å; K346-R349 PolarHBondContact O-N 3.23Å; L347-R349 PolarHBondContact O-N 3.41Å; R349-E351 HydrophobicContact CB-CG 3.99Å; R349-E351 IonicContact CZ-OE1 2.88Å; R349-E351 IonicContact CZ-OE2 3.89Å; R349-E351 VanDerWaalsContact NE-CD 3.34Å; R349-E351 IonicContact NE-OE1 3.6Å; R349-E351 PolarHBondContact NE-OE1 2.7Å; R349-E351 IonicContact NE-OE2 3.84Å; R349-E351 PolarHBondContact NE-OE2 2.85Å; R349-E351 IonicContact NH2-OE1 2.97Å; R349-E351 IonicContact NH2-OE2 2.89Å; R349-E351 PolarHBondContact NH2-OE2 2.86Å; R349-E351 PolarHBondContact O-N 2.66Å
350	R	95.4	Very high	87.4	Confident	92 Å²	92	69.3 Å²	69.3	35%	0.347	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	31.6	-177.3	-57.2	172	68	-149.9	-1.7	113.4	P140 F141 D214 E216 H218 K346 L347 F348	P140-R350 HydrophobicContact CB-CG 4.49Å; F141-R350 HydrophobicContact CE1-CG 4.22Å; F141-R350 HydrophobicContact CZ-CG 4.38Å; D214-R350 IonicContact OD1-NH2 2.82Å; D214-R350 IonicContact OD2-CZ 2.74Å; D214-R350 IonicContact OD2-NE 2.91Å; D214-R350 IonicContact OD2-NH2 2.72Å; D214-R350 PolarHBondContact OD2-NH2 2.82Å; E216-R350 IonicContact OE2-CZ 3.73Å; E216-R350 IonicContact OE2-NH2 2.67Å; E216-R350 PolarHBondContact OE2-NH2 2.85Å; H218-R350 PolarHBondContact CD2-NE 2.96Å; K346-R350 PolarHBondContact O-N 3.41Å; K346-R350 VanDerWaalsContact O-N 3.15Å; L347-R350 WeakPolarHBondContact O-CA 3.3Å; L347-R350 PolarHBondContact O-N 3.25Å; F348-R350 PolarHBondContact O-N 2.74Å
351	E	91.8	Very high	85.4	Confident	111 Å²	111	67.6 Å²	67.6	52%	0.519	33%	0.327	S	S	.	.			trans	-89.4	-12.1	178.5	-67.5	169.7	-174.1	0	0	112.7	K346 R349	K346-E351 HydrophobicContact CB-CB 4.09Å; K346-E351 WeakPolarHBondContact CG-OE2 3.36Å; K346-E351 PolarHBondContact O-N 2.72Å; R349-E351 HydrophobicContact CB-CG 3.99Å; R349-E351 IonicContact CZ-OE1 2.88Å; R349-E351 IonicContact CZ-OE2 3.89Å; R349-E351 VanDerWaalsContact NE-CD 3.34Å; R349-E351 IonicContact NE-OE1 3.6Å; R349-E351 PolarHBondContact NE-OE1 2.7Å; R349-E351 IonicContact NE-OE2 3.84Å; R349-E351 PolarHBondContact NE-OE2 2.85Å; R349-E351 IonicContact NH2-OE1 2.97Å; R349-E351 IonicContact NH2-OE2 2.89Å; R349-E351 PolarHBondContact NH2-OE2 2.86Å; R349-E351 PolarHBondContact O-N 2.66Å
352	V	88.3	Confident	83.8	Confident	42 Å²	42	67.1 Å²	67.1	26%	0.255	32%	0.315	S	S	.	.	S	Bend	trans	-88.5	123.9	175	-174.4	0	0	0	0	108.7	F184 H218 K346 L347 P354	F184-V352 HydrophobicContact CD2-CG1 4.04Å; F184-V352 HydrophobicContact CE2-CB 4.08Å; F184-V352 HydrophobicContact CE2-CG1 3.75Å; H218-V352 PolarHBondContact CE1-O 2.83Å; K346-V352 HydrophobicContact CB-CG2 3.78Å; L347-V352 HydrophobicContact CB-CG2 4.24Å; L347-V352 HydrophobicContact CD1-CB 4Å; L347-V352 HydrophobicContact CD1-CG2 4.27Å; V352-P354 WeakPolarHBondContact O-CD 3.29Å
353	K	83.7	Confident	82	Confident	175 Å²	175	70 Å²	70	76%	0.761	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-65.1	126.8	-177.6	-174.3	-179.7	176.6	-176.4	0	111.1
354	P	85.5	Confident	80.1	Confident	17 Å²	17	68.4 Å²	68.4	11%	0.11	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-61.4	148.8	174.4	-26.5	36.4	0	0	0	113.5	F184 E216 H218 V352 F356	F184-P354 HydrophobicContact CE1-CB 3.98Å; F184-P354 HydrophobicContact CE1-CG 4.32Å; F184-P354 HydrophobicContact CZ-CB 3.95Å; F184-P354 HydrophobicContact CZ-CG 3.92Å; E216-P354 WeakPolarHBondContact O-CG 3.29Å; H218-P354 VanDerWaalsContact CE1-CG 3.47Å; H218-P354 WeakPolarHBondContact CE1-CG 3.49Å; H218-P354 WeakPolarHBondContact NE2-CG 3.43Å; V352-P354 WeakPolarHBondContact O-CD 3.29Å; P354-F356 PolarHBondContact O-N 2.83Å
355	P	78.6	Confident	78.7	Confident	46 Å²	46	67.8 Å²	67.8	30%	0.299	33%	0.327	S	S	.	.	S	Bend	trans	-68.6	-26	178.4	26.5	-33.7	0	0	0	112.7	D181 F184 Y185	D181-P355 HydrophobicContact CB-CB 4.22Å; D181-P355 HydrophobicContact CB-CG 4.25Å; D181-P355 WeakPolarHBondContact OD1-CB 3.13Å; F184-P355 HydrophobicContact CB-CG 4.4Å; F184-P355 HydrophobicContact CD1-CG 3.96Å; F184-P355 HydrophobicContact CG-CG 4.29Å; Y185-P355 HydrophobicContact CD2-CG 4.46Å; Y185-P355 HydrophobicContact CE1-CG 4.21Å; Y185-P355 HydrophobicContact CE2-CG 3.75Å
356	F	77.5	Confident	77.2	Confident	9 Å²	9	63 Å²	63	4%	0.039	30%	0.301	C	S	.	.			trans	-131.3	129.4	176.7	169.1	-104.2	0	0	0	109.1	Y185 L213 G217 P354 P358 Y368 E479	Y185-F356 WeakPolarHBondContact OH-CB 3.5Å; L213-F356 HydrophobicContact CD1-CD1 4.22Å; L213-F356 HydrophobicContact CD1-CE1 4.35Å; G217-F356 VanDerWaalsContact CA-O 3.3Å; G217-F356 WeakPolarHBondContact CA-O 3.49Å; P354-F356 PolarHBondContact O-N 2.83Å; F356-P358 HydrophobicContact CD1-CG 4.29Å; F356-P358 HydrophobicContact CE1-CB 4.24Å; F356-P358 HydrophobicContact CE1-CG 3.74Å; F356-P358 HydrophobicContact CZ-CG 4.47Å; F356-Y368 HydrophobicContact CZ-CE1 4.11Å; F356-E479 WeakPolarHBondContact CE2-OE1 3.29Å
357	R	75.6	Confident	75.7	Confident	154 Å²	154	61.5 Å²	61.5	58%	0.581	30%	0.295	S	S	*	.			trans	-112.4	115	172.3	-176.3	176.3	-172.6	-174.5	5.8	109.1	A359 R483	R357-A359 PolarHBondContact O-N 3.27Å; R357-R483 VanDerWaalsContact O-CZ 3.29Å; R357-R483 PolarHBondContact O-NE 3.48Å; R357-R483 PolarHBondContact O-NH2 3.43Å
358	P	71.7	Confident	74.4	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.032	30%	0.299	C	S	.	.			trans	-51.4	137.3	179.1	-28.7	36.5	0	0	0	112.5	G164 D214 F356 V360 Y368	G164-P358 VanDerWaalsContact CA-CG 3.5Å; D214-P358 VanDerWaalsContact O-CG 3.31Å; D214-P358 WeakPolarHBondContact O-CG 3.03Å; F356-P358 HydrophobicContact CD1-CG 4.29Å; F356-P358 HydrophobicContact CE1-CB 4.24Å; F356-P358 HydrophobicContact CE1-CG 3.74Å; F356-P358 HydrophobicContact CZ-CG 4.47Å; P358-V360 VanDerWaalsContact C-N 3.33Å; P358-V360 HydrophobicContact CB-CG1 4.11Å; P358-V360 PolarHBondContact O-N 2.79Å; P358-Y368 HydrophobicContact CB-CD2 4.14Å; P358-Y368 HydrophobicContact CB-CE2 3.6Å
359	A	64.3	Low	73.3	Confident	3 Å²	3	59.8 Å²	59.8	3%	0.025	29%	0.287	C	S	.	.			trans	-80.1	86.2	172.6	0	0	0	0	0	109.1	R357 Y368 E479 L482 R483	R357-A359 PolarHBondContact O-N 3.27Å; A359-Y368 PolarHBondContact N-OH 3.02Å; A359-E479 HydrophobicContact CB-CB 4.45Å; A359-E479 HydrophobicContact CB-CG 3.62Å; A359-L482 HydrophobicContact CB-CB 4.03Å; A359-R483 HydrophobicContact CB-CB 4.42Å
360	V	61.5	Low	72	Confident	38 Å²	38	56.8 Å²	56.8	23%	0.23	28%	0.281	C	S	.	.			trans	-107.1	118.3	175.6	-67.8	0	0	0	0	108.4	R163 E215 P358	R163-V360 HydrophobicContact CB-CG1 3.95Å; E215-V360 HydrophobicContact CB-CG2 3.87Å; P358-V360 VanDerWaalsContact C-N 3.33Å; P358-V360 HydrophobicContact CB-CG1 4.11Å; P358-V360 PolarHBondContact O-N 2.79Å
361	A	52.9	Low	70.4	Confident	62 Å²	62	55.2 Å²	55.2	51%	0.512	28%	0.284	S	S	.	.			trans	-94.3	-32.8	179.8	0	0	0	0	0	111.9	D365 L482	A361-D365 WeakPolarHBondContact CA-OD2 3.16Å; A361-D365 PolarHBondContact N-OD2 2.88Å; A361-L482 HydrophobicContact CB-CD2 3.64Å
362	R	61	Low	69.3	Low	83 Å²	83	53.4 Å²	53.4	31%	0.313	28%	0.276	S	S	.	.	S	Bend	trans	-118.1	152.2	-179.4	-51.7	172.2	60.9	145.4	-0	111.8	D364 D365 D495	R362-D364 WeakPolarHBondContact CB-OD1 3.41Å; R362-D364 IonicContact NE-OD1 3.33Å; R362-D364 PolarHBondContact NE-OD1 3.4Å; R362-D364 PolarHBondContact O-N 2.98Å; R362-D365 HydrophobicContact CB-CB 4.42Å; R362-D365 WeakPolarHBondContact CB-OD1 3.12Å; R362-D365 WeakPolarHBondContact CD-OD1 3.44Å; R362-D365 PolarHBondContact N-OD2 3.46Å; R362-D365 WeakPolarHBondContact O-CB 3.21Å; R362-D365 PolarHBondContact O-N 3.21Å; R362-D495 IonicContact NH1-OD1 2.66Å
363	P	57.5	Low	68.4	Low	87 Å²	87	53.1 Å²	53.1	57%	0.565	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-31.9	173.3	-26.1	35.6	0	0	0	114.2	L108 R163	L108-P363 HydrophobicContact CD1-CB 3.93Å; L108-P363 WeakPolarHBondContact CD1-O 3.46Å; R163-P363 WeakPolarHBondContact CD-O 3.43Å
364	D	58.3	Low	68	Low	31 Å²	31	46 Å²	46	17%	0.166	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	13.5	-177.5	63.3	-36.4	0	0	0	114.1	K84 L96 L108 R362 T366	K84-D364 PolarHBondContact NZ-O 3.37Å; K84-D364 VanDerWaalsContact NZ-O 3.09Å; L96-D364 HydrophobicContact CD2-CB 4.25Å; L108-D364 HydrophobicContact CD1-CB 3.92Å; R362-D364 WeakPolarHBondContact CB-OD1 3.41Å; R362-D364 IonicContact NE-OD1 3.33Å; R362-D364 PolarHBondContact NE-OD1 3.4Å; R362-D364 PolarHBondContact O-N 2.98Å; D364-T366 PolarHBondContact O-N 3.24Å
365	D	68.1	Low	67.2	Low	30 Å²	30	49.6 Å²	49.6	16%	0.16	27%	0.268	C	S	.	.			trans	-64.9	135.3	177.3	-84.1	-15.1	0	0	0	111.2	A361 R362	A361-D365 WeakPolarHBondContact CA-OD2 3.16Å; A361-D365 PolarHBondContact N-OD2 2.88Å; R362-D365 HydrophobicContact CB-CB 4.42Å; R362-D365 WeakPolarHBondContact CB-OD1 3.12Å; R362-D365 WeakPolarHBondContact CD-OD1 3.44Å; R362-D365 PolarHBondContact N-OD2 3.46Å; R362-D365 WeakPolarHBondContact O-CB 3.21Å; R362-D365 PolarHBondContact O-N 3.21Å
366	T	64.9	Low	66.9	Low	12 Å²	12	51.7 Å²	51.7	7%	0.074	27%	0.27	C	S	.	.			trans	-122.7	28.7	179.5	56.1	0	0	0	0	111	K84 L86 L96 F161 D364 Y368 F369 T374	K84-T366 HydrophobicContact CD-CG2 3.57Å; K84-T366 WeakPolarHBondContact CD-OG1 3.41Å; K84-T366 PolarHBondContact NZ-OG1 3.01Å; L86-T366 HydrophobicContact CD2-CG2 3.56Å; L96-T366 HydrophobicContact CD2-CG2 4.02Å; F161-T366 HydrophobicContact CZ-CG2 4.14Å; D364-T366 PolarHBondContact O-N 3.24Å; T366-Y368 PolarHBondContact O-N 3.5Å; T366-F369 HydrophobicContact CG2-CD2 4.16Å; T366-F369 WeakPolarHBondContact O-CB 3.42Å; T366-F369 PolarHBondContact O-N 3.01Å; T366-T374 HydrophobicContact CG2-CG2 4.43Å
367	F	66.1	Low	66.7	Low	65 Å²	65	56 Å²	56	29%	0.285	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-35.7	-174	-179	-102.2	0	0	0	113.3	F369 I478	F367-F369 VanDerWaalsContact C-N 3.32Å; F367-I478 HydrophobicContact CE2-CB 4.46Å; F367-I478 HydrophobicContact CE2-CG2 3.75Å; F367-I478 HydrophobicContact CZ-CB 4.49Å; F367-I478 HydrophobicContact CZ-CG2 4.08Å
368	Y	68.9	Low	66.6	Low	19 Å²	19	50.1 Å²	50.1	8%	0.075	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	6.6	178.7	-62	-76.5	0	0	0	113.7	F356 P358 A359 T366 E479	F356-Y368 HydrophobicContact CZ-CE1 4.11Å; P358-Y368 HydrophobicContact CB-CD2 4.14Å; P358-Y368 HydrophobicContact CB-CE2 3.6Å; A359-Y368 PolarHBondContact N-OH 3.02Å; T366-Y368 PolarHBondContact O-N 3.5Å; Y368-E479 PolarHBondContact OH-OE2 3.06Å
369	F	71.6	Confident	66.8	Low	42 Å²	42	56.9 Å²	56.9	18%	0.184	31%	0.308	C	S	.	.	S	Bend	trans	-96.7	156	172.9	-66.7	-98.6	0	0	0	110.8	L86 F161 L162 T366 F367 S371 T374	L86-F369 HydrophobicContact CB-CD1 3.86Å; L86-F369 HydrophobicContact CB-CE1 3.93Å; L86-F369 HydrophobicContact CD1-CE1 3.98Å; L86-F369 HydrophobicContact CD1-CZ 4.25Å; L86-F369 HydrophobicContact CD2-CD1 3.74Å; L86-F369 HydrophobicContact CD2-CD2 4.24Å; L86-F369 HydrophobicContact CD2-CE1 3.84Å; L86-F369 HydrophobicContact CD2-CE2 4.32Å; L86-F369 HydrophobicContact CD2-CG 3.94Å; L86-F369 HydrophobicContact CD2-CZ 4.13Å; L86-F369 HydrophobicContact CG-CD1 4.26Å; L86-F369 HydrophobicContact CG-CE1 4.13Å; F161-F369 HydrophobicContact CD2-CZ 4.26Å; F161-F369 AromaticContact CE2-CE2 3.69Å; F161-F369 HydrophobicContact CE2-CE2 3.69Å; F161-F369 AromaticContact CE2-CZ 3.56Å; F161-F369 HydrophobicContact CE2-CZ 3.56Å; F161-F369 HydrophobicContact CZ-CE2 4.1Å; F161-F369 HydrophobicContact CZ-CZ 4.41Å; L162-F369 VanDerWaalsContact O-CZ 3.3Å; L162-F369 WeakPolarHBondContact O-CZ 3.31Å; T366-F369 HydrophobicContact CG2-CD2 4.16Å; T366-F369 WeakPolarHBondContact O-CB 3.42Å; T366-F369 PolarHBondContact O-N 3.01Å; F367-F369 VanDerWaalsContact C-N 3.32Å; F369-S371 PolarHBondContact O-N 3.38Å; F369-T374 HydrophobicContact CB-CG2 3.69Å
370	D	68.2	Low	67	Low	69 Å²	69	59.2 Å²	59.2	37%	0.369	32%	0.32	S	S	.	.			trans	-66.3	122.1	-178.8	-164.8	-36	0	0	0	111.2	E372 F373 T374	D370-E372 PolarHBondContact O-N 2.73Å; D370-E372 VanDerWaalsContact O-N 3.15Å; D370-E372 VanDerWaalsContact OD1-CB 3.3Å; D370-E372 WeakPolarHBondContact OD1-CB 3.31Å; D370-E372 PolarHBondContact OD1-N 3.13Å; D370-F373 HydrophobicContact CB-CD2 3.75Å; D370-F373 HydrophobicContact CB-CE2 4.09Å; D370-F373 PolarHBondContact O-N 3.15Å; D370-T374 PolarHBondContact O-N 3.12Å; D370-T374 VanDerWaalsContact O-N 3.14Å
371	S	62.4	Low	67.5	Low	60 Å²	60	59.8 Å²	59.8	42%	0.42	33%	0.326	S	S	.	.	H	α-helix	trans	-58	-27.4	-179.6	56	0	0	0	0	112.9	F369 F373 T374 S375	F369-S371 PolarHBondContact O-N 3.38Å; S371-F373 PolarHBondContact O-N 3.26Å; S371-T374 WeakPolarHBondContact CA-OG1 3.47Å; S371-S375 VanDerWaalsContact O-CB 3.26Å; S371-S375 WeakPolarHBondContact O-CB 3.49Å; S371-S375 PolarHBondContact O-N 3.45Å; S371-S375 VanDerWaalsContact O-N 3.12Å; S371-S375 PolarHBondContact O-OG 3.48Å
372	E	69.6	Low	68	Low	73 Å²	73	62.7 Å²	62.7	34%	0.341	34%	0.339	S	S	.	.	H	α-helix	trans	-60.7	-30.4	176.2	-162.3	-155.9	144.7	0	0	111.9	D370 R376	D370-E372 PolarHBondContact O-N 2.73Å; D370-E372 VanDerWaalsContact O-N 3.15Å; D370-E372 VanDerWaalsContact OD1-CB 3.3Å; D370-E372 WeakPolarHBondContact OD1-CB 3.31Å; D370-E372 PolarHBondContact OD1-N 3.13Å; E372-R376 WeakPolarHBondContact O-CD 3.43Å; E372-R376 VanDerWaalsContact O-CG 3.27Å; E372-R376 WeakPolarHBondContact O-CG 3.16Å; E372-R376 PolarHBondContact O-NE 3.04Å; E372-R376 IonicContact OE1-CZ 3.47Å; E372-R376 IonicContact OE1-NH2 2.71Å; E372-R376 PolarHBondContact OE1-NH2 2.52Å
373	F	69.6	Low	68	Low	36 Å²	36	60 Å²	60	16%	0.158	34%	0.338	C	S	.	.	H	α-helix	trans	-92.6	-46.4	176.6	-57.7	-59.1	0	0	0	111.6	V85 Q88 D370 S371 S375 R376	V85-F373 HydrophobicContact CG1-CB 4.29Å; V85-F373 CarbonylContact O-C 3.57Å; V85-F373 WeakPolarHBondContact O-CB 3.43Å; Q88-F373 HydrophobicContact CB-CD1 4.24Å; Q88-F373 HydrophobicContact CB-CE1 3.86Å; D370-F373 HydrophobicContact CB-CD2 3.75Å; D370-F373 HydrophobicContact CB-CE2 4.09Å; D370-F373 PolarHBondContact O-N 3.15Å; S371-F373 PolarHBondContact O-N 3.26Å; F373-S375 PolarHBondContact O-N 3.37Å; F373-R376 WeakPolarHBondContact O-CB 3.34Å; F373-R376 PolarHBondContact O-N 3.33Å
374	T	73.9	Confident	68.3	Low	26 Å²	26	61 Å²	61	16%	0.16	34%	0.342	C	S	.	.	H	α-helix	trans	-68	-21.5	-172.8	61.1	0	0	0	0	113.4	V85 T366 F369 D370 S371 R376	V85-T374 WeakPolarHBondContact O-CA 3.27Å; V85-T374 PolarHBondContact O-N 3.32Å; T366-T374 HydrophobicContact CG2-CG2 4.43Å; F369-T374 HydrophobicContact CB-CG2 3.69Å; D370-T374 PolarHBondContact O-N 3.12Å; D370-T374 VanDerWaalsContact O-N 3.14Å; S371-T374 WeakPolarHBondContact CA-OG1 3.47Å; T374-R376 VanDerWaalsContact C-N 3.34Å
375	S	68.7	Low	68.4	Low	91 Å²	91	63 Å²	63	64%	0.636	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-12.3	173.3	59.9	0	0	0	0	114.1	S371 F373	S371-S375 VanDerWaalsContact O-CB 3.26Å; S371-S375 WeakPolarHBondContact O-CB 3.49Å; S371-S375 PolarHBondContact O-N 3.45Å; S371-S375 VanDerWaalsContact O-N 3.12Å; S371-S375 PolarHBondContact O-OG 3.48Å; F373-S375 PolarHBondContact O-N 3.37Å
376	R	73.5	Confident	67.9	Low	90 Å²	90	62.5 Å²	62.5	34%	0.34	36%	0.355	S	S	.	.	S	Bend	trans	-77.7	144.3	-178.9	-61	177.8	-175.9	-164.5	-3.5	110.8	V85 E372 F373 T374 P378	V85-R376 HydrophobicContact CG2-CB 4.22Å; E372-R376 WeakPolarHBondContact O-CD 3.43Å; E372-R376 VanDerWaalsContact O-CG 3.27Å; E372-R376 WeakPolarHBondContact O-CG 3.16Å; E372-R376 PolarHBondContact O-NE 3.04Å; E372-R376 IonicContact OE1-CZ 3.47Å; E372-R376 IonicContact OE1-NH2 2.71Å; E372-R376 PolarHBondContact OE1-NH2 2.52Å; F373-R376 WeakPolarHBondContact O-CB 3.34Å; F373-R376 PolarHBondContact O-N 3.33Å; T374-R376 VanDerWaalsContact C-N 3.34Å; R376-P378 WeakPolarHBondContact O-CD 3.4Å
377	T	71.9	Confident	67.6	Low	99 Å²	99	66.2 Å²	66.2	61%	0.607	38%	0.381	S	S	*	.			trans	-61.2	125.9	172.6	-44.8	0	0	0	0	110.2	K379	T377-K379 HydrophobicContact CG2-CD 4.45Å; T377-K379 HydrophobicContact CG2-CG 4.09Å; T377-K379 PolarHBondContact O-N 2.65Å
378	P	74.4	Confident	67.1	Low	31 Å²	31	67.2 Å²	67.2	20%	0.201	40%	0.401	C	S	.	.			trans	-72.5	89.7	179.2	31.8	-37.6	0	0	0	109.8	L82 L83 R376	L82-P378 HydrophobicContact CB-CB 4.1Å; L83-P378 WeakPolarHBondContact O-CG 3.37Å; R376-P378 WeakPolarHBondContact O-CD 3.4Å
379	K	74.6	Confident	66.2	Low	148 Å²	148	69 Å²	69	64%	0.643	43%	0.425	S	S	*	.			trans	-121.9	124	173.4	-69.4	-172.5	179.5	-179.3	0	110.7	T377	T377-K379 HydrophobicContact CG2-CD 4.45Å; T377-K379 HydrophobicContact CG2-CG 4.09Å; T377-K379 PolarHBondContact O-N 2.65Å
380	D	69.8	Low	65.3	Low	52 Å²	52	67 Å²	67	28%	0.278	42%	0.417	S	S	.	.			trans	-84.8	112.5	168.8	-173.5	19.5	0	0	0	110	L82 F95 K154 Y156	L82-D380 HydrophobicContact CD1-CB 3.95Å; F95-D380 HydrophobicContact CZ-CB 4.49Å; K154-D380 IonicContact NZ-OD1 3.61Å; K154-D380 PolarHBondContact NZ-OD1 3.45Å; K154-D380 IonicContact NZ-OD2 3.64Å; K154-D380 PolarHBondContact NZ-OD2 3.35Å; Y156-D380 PolarHBondContact OH-OD2 2.92Å
381	S	71.1	Confident	64.9	Low	50 Å²	50	68 Å²	68	35%	0.35	42%	0.419	S	S	.	.			trans	-77.9	142.6	-176.8	-47.3	0	0	0	0	111.3	K154	K154-S381 WeakPolarHBondContact CE-O 3.42Å; K154-S381 PolarHBondContact NZ-O 2.94Å
382	P	64.9	Low	64.8	Low	123 Å²	123	71.1 Å²	71.1	80%	0.799	43%	0.427	S	S	*	.			trans	-52.1	144.3	178.7	-25.5	33.5	0	0	0	113.3
383	G	59.1	Low	64.5	Low	27 Å²	27	70.3 Å²	70.3	28%	0.278	43%	0.425	S	S	.	.			trans	-113.5	128.7	179.2	0	0	0	0	0	110.9
384	V	64.4	Low	64.4	Low	108 Å²	108	68.6 Å²	68.6	66%	0.655	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-73.6	137.8	176.7	-174.2	0	0	0	0	109.5
385	P	60.3	Low	64.2	Low	72 Å²	72	74 Å²	74	47%	0.468	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-59.3	141.2	175.2	-21	31.6	0	0	0	111.5	E152	E152-P385 HydrophobicContact CB-CB 4.38Å; E152-P385 HydrophobicContact CB-CG 4.23Å
386	P	58.6	Low	64.1	Low	20 Å²	20	71.9 Å²	71.9	13%	0.13	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-77.9	168	173.6	38.9	-39.5	0	0	0	110.9	K116 E152 A390	K116-P386 HydrophobicContact CB-CB 4.07Å; K116-P386 HydrophobicContact CB-CG 3.78Å; K116-P386 HydrophobicContact CD-CG 3.99Å; E152-P386 WeakPolarHBondContact O-CD 3.3Å; P386-A390 HydrophobicContact CB-CB 3.57Å; P386-A390 HydrophobicContact CG-CB 3.87Å
387	S	58.7	Low	64.3	Low	89 Å²	89	67.7 Å²	67.7	62%	0.622	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-58.1	153.6	175.8	58.3	0	0	0	0	112.9	G389 A390	S387-G389 VanDerWaalsContact C-N 3.31Å; S387-G389 PolarHBondContact O-N 3.19Å; S387-G389 VanDerWaalsContact O-N 3.11Å; S387-A390 WeakPolarHBondContact O-CA 3.24Å; S387-A390 WeakPolarHBondContact O-CB 3.39Å; S387-A390 PolarHBondContact O-N 2.8Å
388	A	54.6	Low	64.7	Low	86 Å²	86	65.5 Å²	65.5	71%	0.711	40%	0.4	S	S	*	.	H	α-helix	trans	-51.3	-40.2	-171.2	0	0	0	0	0	115	A390 H391	A388-A390 VanDerWaalsContact C-N 3.29Å; A388-A390 PolarHBondContact O-N 2.78Å; A388-H391 PolarHBondContact O-N 3.38Å
389	G	50.5	Low	65.1	Low	56 Å²	56	66.5 Å²	66.5	58%	0.577	40%	0.402	S	S	*	.	H	α-helix	trans	-68	-22.9	176.8	0	0	0	0	0	114.5	S387	S387-G389 VanDerWaalsContact C-N 3.31Å; S387-G389 PolarHBondContact O-N 3.19Å; S387-G389 VanDerWaalsContact O-N 3.11Å
390	A	52.7	Low	65.3	Low	1 Å²	1	62 Å²	62	1%	0.008	39%	0.387	C	S	.	.	H	α-helix	trans	-73.3	-27.5	174.7	0	0	0	0	0	113.4	R124 P386 S387 A388 F394	R124-A390 VanDerWaalsContact CZ-CB 3.41Å; P386-A390 HydrophobicContact CB-CB 3.57Å; P386-A390 HydrophobicContact CG-CB 3.87Å; S387-A390 WeakPolarHBondContact O-CA 3.24Å; S387-A390 WeakPolarHBondContact O-CB 3.39Å; S387-A390 PolarHBondContact O-N 2.8Å; A388-A390 VanDerWaalsContact C-N 3.29Å; A388-A390 PolarHBondContact O-N 2.78Å; A390-F394 WeakPolarHBondContact O-CD2 3.41Å
391	H	58.7	Low	65.7	Low	89 Å²	89	60.1 Å²	60.1	41%	0.412	38%	0.378	S	S	.	.	H	α-helix	trans	-74.1	-34	-176.8	-165.9	90.8	0	0	0	111.5	A388 L393 F394	A388-H391 PolarHBondContact O-N 3.38Å; H391-L393 VanDerWaalsContact C-N 3.34Å; H391-L393 PolarHBondContact O-N 3.35Å; H391-F394 PolarHBondContact O-N 2.98Å
392	Q	62.1	Low	64.7	Low	126 Å²	126	61 Å²	61	59%	0.589	38%	0.384	S	S	*	.	H	α-helix	trans	-63.7	-36	-180	-66.5	-178.1	2.1	0	0	113.1	F394 R395	Q392-F394 PolarHBondContact O-N 3.21Å; Q392-R395 WeakPolarHBondContact O-CB 3.42Å; Q392-R395 WeakPolarHBondContact O-CG 3.05Å; Q392-R395 PolarHBondContact O-N 2.91Å; Q392-R395 VanDerWaalsContact O-N 3.17Å
393	L	61.3	Low	63.8	Low	57 Å²	57	57.2 Å²	57.2	30%	0.298	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-29.8	-177.9	-174	62.9	0	0	0	113	R124 V125 K128 H391	R124-L393 HydrophobicContact CB-CD2 3.49Å; R124-L393 VanDerWaalsContact CB-CD2 3.49Å; R124-L393 HydrophobicContact CG-CD2 4.5Å; V125-L393 HydrophobicContact CG2-CD2 4.21Å; K128-L393 WeakPolarHBondContact CD-O 3.41Å; K128-L393 PolarHBondContact NZ-O 3.32Å; H391-L393 VanDerWaalsContact C-N 3.34Å; H391-L393 PolarHBondContact O-N 3.35Å
394	F	69.1	Low	63.2	Low	0 Å²	0	59 Å²	59	0%	0	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	12.6	-178.7	-59.9	-65.5	0	0	0	113.9	K116 L119 R124 Q150 L155 A390 H391 Q392 G396 F397	K116-F394 HydrophobicContact CD-CD2 4.36Å; K116-F394 HydrophobicContact CG-CE2 4.29Å; L119-F394 HydrophobicContact CD1-CZ 4.32Å; R124-F394 HydrophobicContact CB-CE1 4.13Å; R124-F394 HydrophobicContact CB-CE2 4.17Å; R124-F394 HydrophobicContact CB-CZ 3.45Å; R124-F394 VanDerWaalsContact CB-CZ 3.45Å; R124-F394 HydrophobicContact CG-CE2 4Å; R124-F394 HydrophobicContact CG-CZ 3.6Å; Q150-F394 PolarHBondContact NE2-O 3.4Å; L155-F394 HydrophobicContact CD1-CD1 3.87Å; L155-F394 HydrophobicContact CD1-CE1 3.41Å; L155-F394 VanDerWaalsContact CD1-CE1 3.41Å; L155-F394 HydrophobicContact CD1-CE2 4.24Å; L155-F394 HydrophobicContact CD1-CG 4.46Å; L155-F394 HydrophobicContact CD1-CZ 3.59Å; L155-F394 HydrophobicContact CD2-CB 4.34Å; L155-F394 HydrophobicContact CD2-CD1 3.96Å; L155-F394 HydrophobicContact CD2-CD2 4.45Å; L155-F394 HydrophobicContact CD2-CE1 4.36Å; L155-F394 HydrophobicContact CD2-CG 4.01Å; L155-F394 HydrophobicContact CG-CE1 4.48Å; A390-F394 WeakPolarHBondContact O-CD2 3.41Å; H391-F394 PolarHBondContact O-N 2.98Å; Q392-F394 PolarHBondContact O-N 3.21Å; F394-G396 PolarHBondContact O-N 2.88Å; F394-F397 HydrophobicContact CB-CB 4.48Å; F394-F397 HydrophobicContact CD1-CD2 4.2Å; F394-F397 VanDerWaalsContact O-CB 3.3Å; F394-F397 WeakPolarHBondContact O-CB 3.38Å; F394-F397 PolarHBondContact O-N 2.75Å
395	R	69.9	Low	62	Low	139 Å²	139	61.1 Å²	61.1	53%	0.525	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	135.4	167.5	-76.1	-177.2	175.9	179.4	-2.3	109.8	Q392	Q392-R395 WeakPolarHBondContact O-CB 3.42Å; Q392-R395 WeakPolarHBondContact O-CG 3.05Å; Q392-R395 PolarHBondContact O-N 2.91Å; Q392-R395 VanDerWaalsContact O-N 3.17Å
396	G	66.5	Low	60.8	Low	47 Å²	47	65.6 Å²	65.6	49%	0.485	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	17.5	-177.2	0	0	0	0	0	115.5	R131 F394 S398	R131-G396 VanDerWaalsContact CZ-O 3.26Å; R131-G396 PolarHBondContact NH1-O 3.16Å; R131-G396 VanDerWaalsContact NH1-O 3.13Å; R131-G396 PolarHBondContact NH2-O 2.91Å; R131-G396 VanDerWaalsContact NH2-O 3.15Å; F394-G396 PolarHBondContact O-N 2.88Å; G396-S398 VanDerWaalsContact C-N 3.31Å
397	F	77.3	Confident	59.7	Low	1 Å²	1	71.8 Å²	71.8	0%	0.004	41%	0.409	C	S	.	.			trans	-70.9	-23.6	177.5	-168.8	-92.2	0	0	0	113.8	T127 R131 A148 F149 Q150 L155 L157 F394	T127-F397 HydrophobicContact CG2-CE2 4.3Å; R131-F397 HydrophobicContact CB-CD2 4.44Å; R131-F397 HydrophobicContact CB-CE2 3.84Å; R131-F397 HydrophobicContact CB-CZ 4.23Å; R131-F397 HydrophobicContact CG-CD2 4.31Å; R131-F397 HydrophobicContact CG-CE2 3.96Å; R131-F397 HydrophobicContact CG-CZ 4.1Å; A148-F397 HydrophobicContact CB-CD1 4.27Å; A148-F397 HydrophobicContact CB-CE1 3.99Å; A148-F397 WeakPolarHBondContact CB-O 3.46Å; F149-F397 WeakPolarHBondContact O-CE1 3.45Å; Q150-F397 HydrophobicContact CB-CD1 4.25Å; L155-F397 HydrophobicContact CB-CE1 4.01Å; L155-F397 HydrophobicContact CB-CZ 3.91Å; L155-F397 HydrophobicContact CD1-CE2 4.28Å; L155-F397 HydrophobicContact CD1-CZ 4.36Å; L155-F397 HydrophobicContact CD2-CD1 3.95Å; L155-F397 HydrophobicContact CD2-CD2 4.14Å; L155-F397 HydrophobicContact CD2-CE1 3.96Å; L155-F397 HydrophobicContact CD2-CE2 4.16Å; L155-F397 HydrophobicContact CD2-CG 4.04Å; L155-F397 HydrophobicContact CD2-CZ 4.06Å; L155-F397 HydrophobicContact CG-CZ 4.33Å; L157-F397 HydrophobicContact CD2-CE1 4.13Å; L157-F397 HydrophobicContact CD2-CZ 3.7Å; L157-F397 HydrophobicContact CG-CZ 4.28Å; F394-F397 HydrophobicContact CB-CB 4.48Å; F394-F397 HydrophobicContact CD1-CD2 4.2Å; F394-F397 VanDerWaalsContact O-CB 3.3Å; F394-F397 WeakPolarHBondContact O-CB 3.38Å; F394-F397 PolarHBondContact O-N 2.75Å
398	S	80.1	Confident	58.4	Low	53 Å²	53	76.9 Å²	76.9	37%	0.371	42%	0.423	S	S	.	.			trans	-69.4	132	-178.3	-66.2	0	0	0	0	111.6	A148 G396	A148-S398 CarbonylContact O-C 3.5Å; A148-S398 WeakPolarHBondContact O-CA 3.3Å; G396-S398 VanDerWaalsContact C-N 3.31Å
399	F	82.5	Confident	57.3	Low	53 Å²	53	76.3 Å²	76.3	23%	0.232	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	143.9	-177.6	172.2	-99.8	0	0	0	110.6	A135 L145 Y147 A148 A401	A135-F399 HydrophobicContact CB-CD2 4.01Å; A135-F399 HydrophobicContact CB-CE1 4.34Å; A135-F399 HydrophobicContact CB-CE2 3.74Å; A135-F399 HydrophobicContact CB-CG 4.41Å; A135-F399 HydrophobicContact CB-CZ 3.91Å; L145-F399 HydrophobicContact CD2-CD1 3.85Å; L145-F399 HydrophobicContact CD2-CE1 4.16Å; L145-F399 HydrophobicContact CG-CD1 4.09Å; L145-F399 HydrophobicContact CG-CE1 4.22Å; Y147-F399 WeakPolarHBondContact CA-O 3.38Å; A148-F399 HydrophobicContact CB-CB 3.98Å; A148-F399 PolarHBondContact N-O 3.16Å; A148-F399 PolarHBondContact O-N 2.9Å; F399-A401 HydrophobicContact CE1-CB 3.88Å; F399-A401 HydrophobicContact CZ-CB 4.03Å
400	V	78.9	Confident	56.3	Low	54 Å²	54	78.1 Å²	78.1	33%	0.327	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	121.8	171.3	-177.8	0	0	0	0	107.4	Y147 S402	Y147-V400 HydrophobicContact CD1-CB 4.42Å; Y147-V400 HydrophobicContact CD1-CG1 3.99Å; Y147-V400 HydrophobicContact CD1-CG2 4.14Å; Y147-V400 HydrophobicContact CE1-CG1 3.8Å; V400-S402 PolarHBondContact O-N 3.22Å
401	A	77.9	Confident	55.1	Low	11 Å²	11	83 Å²	83	9%	0.091	47%	0.47	C	S	.	.			trans	-67.2	128.1	-178	0	0	0	0	0	111.7	H146 F399 T403	H146-A401 PolarHBondContact O-N 3.39Å; F399-A401 HydrophobicContact CE1-CB 3.88Å; F399-A401 HydrophobicContact CZ-CB 4.03Å; A401-T403 VanDerWaalsContact C-N 3.34Å; A401-T403 PolarHBondContact O-N 2.69Å
402	S	49.9	Very low	53.8	Low	68 Å²	68	86.7 Å²	86.7	48%	0.476	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-73.9	-17.5	-176.8	-69.2	0	0	0	0	114.5	V400 M404 L405	V400-S402 PolarHBondContact O-N 3.22Å; S402-M404 PolarHBondContact O-N 3.25Å; S402-L405 PolarHBondContact O-N 2.82Å
403	T	46.8	Very low	52.3	Low	44 Å²	44	86 Å²	86	27%	0.27	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-63.4	-9.7	-174.6	47.9	0	0	0	0	115	K144 A401 L405	K144-T403 WeakPolarHBondContact CE-OG1 3.4Å; K144-T403 PolarHBondContact NZ-OG1 2.64Å; A401-T403 VanDerWaalsContact C-N 3.34Å; A401-T403 PolarHBondContact O-N 2.69Å; T403-L405 VanDerWaalsContact C-N 3.26Å; T403-L405 PolarHBondContact O-N 3.4Å
404	M	47	Very low	50.6	Low	64 Å²	64	89.3 Å²	89.3	32%	0.315	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-77	-9.2	-179.6	-64.6	-157.2	165.1	0	0	114.3	D104 Y109 H146 S402	D104-M404 HydrophobicContact CB-SD 4.31Å; Y109-M404 WeakPolarHBondContact OH-CE 3.41Å; H146-M404 WeakPolarHBondContact ND1-CE 3.44Å; S402-M404 PolarHBondContact O-N 3.25Å
405	L	38.6	Very low	48.8	Very low	154 Å²	154	97.2 Å²	97.2	81%	0.806	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-92.1	-9.5	175.9	-70.7	164.4	0	0	0	113.2	S402 T403	S402-L405 PolarHBondContact O-N 2.82Å; T403-L405 VanDerWaalsContact C-N 3.26Å; T403-L405 PolarHBondContact O-N 3.4Å
406	E	34.7	Very low	46.9	Very low	166 Å²	166	95.9 Å²	95.9	78%	0.776	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	-7.9	-171.8	-69.8	178.8	178.5	0	0	114.4	E408	E406-E408 PolarHBondContact O-N 3.44Å
407	E	35.1	Very low	44.9	Very low	149 Å²	149	99.2 Å²	99.2	70%	0.696	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-80	19.9	177.3	-77.6	-175.3	-175.3	0	0	114.4	G409	E407-G409 PolarHBondContact O-N 2.97Å
408	E	33.2	Very low	42.6	Very low	196 Å²	196	103.8 Å²	103.8	92%	0.916	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-76	0.4	171.1	-77.1	-168.1	157.3	0	0	113.6	E406	E406-E408 PolarHBondContact O-N 3.44Å
409	G	30.7	Very low	40.2	Very low	75 Å²	75	107.7 Å²	107.7	77%	0.773	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-102.1	-14.1	-169.8	0	0	0	0	0	118.3	E407	E407-G409 PolarHBondContact O-N 2.97Å
410	S	28.6	Very low	37.5	Very low	94 Å²	94	109.5 Å²	109.5	66%	0.657	64%	0.637	S	S	*	*			trans	-117	90.8	-177.6	63.7	0	0	0	0	111.8	Q412	S410-Q412 PolarHBondContact O-N 3.3Å
411	A	28.2	Very low	35.2	Very low	104 Å²	104	110.9 Å²	110.9	86%	0.86	65%	0.646	S	S	*	*			trans	-60	108.1	168.8	0	0	0	0	0	109.8
412	Q	31.3	Very low	33.1	Very low	166 Å²	166	114.1 Å²	114.1	78%	0.776	66%	0.664	S	S	*	*			trans	-64.5	141.2	161.6	-72.8	-172.8	-9.3	0	0	108.8	S410	S410-Q412 PolarHBondContact O-N 3.3Å
413	P	30.4	Very low	32.3	Very low	110 Å²	110	118.7 Å²	118.7	71%	0.714	68%	0.678	S	S	*	*			trans	-59.6	139.4	172.2	24.4	-31.1	0	0	0	109.4	Q415	P413-Q415 PolarHBondContact O-N 3.37Å
414	P	27	Very low	31.7	Very low	128 Å²	128	124.5 Å²	124.5	83%	0.831	70%	0.702	S	S	*	*			trans	-61.8	114.2	-176.6	23.9	-31.7	0	0	0	109.4
415	Q	30.7	Very low	31.3	Very low	165 Å²	165	122 Å²	122	77%	0.771	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-64.7	140.1	164.5	-68.7	-153.5	-0.6	0	0	108.7	P413	P413-Q415 PolarHBondContact O-N 3.37Å
416	P	28.9	Very low	31.9	Very low	112 Å²	112	116.8 Å²	116.8	73%	0.727	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-57.5	135	175.3	23.8	-31.7	0	0	0	108.9
417	P	25	Very low	32.4	Very low	117 Å²	117	111.4 Å²	111.4	76%	0.76	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-61.5	133.6	179.7	24.8	-31.9	0	0	0	109	H419	P417-H419 PolarHBondContact O-N 3.23Å
418	P	29.8	Very low	33.1	Very low	96 Å²	96	113.2 Å²	113.2	62%	0.623	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-58	136.5	167.4	23.2	-30.1	0	0	0	108.8
419	H	28.3	Very low	34.1	Very low	136 Å²	136	106.7 Å²	106.7	63%	0.63	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-52.7	130.8	-174.9	-156.9	-75	0	0	0	110.2	P417 V421 V422	P417-H419 PolarHBondContact O-N 3.23Å; H419-V421 PolarHBondContact O-N 3.18Å; H419-V422 PolarHBondContact O-N 3.11Å
420	P	25.7	Very low	35.6	Very low	90 Å²	90	108.6 Å²	108.6	58%	0.584	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-13.5	-169.2	17.1	-30.9	0	0	0	115.4	V422	P420-V422 VanDerWaalsContact C-N 3.32Å; P420-V422 PolarHBondContact O-N 2.98Å
421	V	32.3	Very low	37.9	Very low	84 Å²	84	108.7 Å²	108.7	51%	0.509	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.1	-28	176.4	178.2	0	0	0	0	112	H419	H419-V421 PolarHBondContact O-N 3.18Å
422	V	32.3	Very low	40.6	Very low	79 Å²	79	104.6 Å²	104.6	48%	0.479	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.3	-19.3	-178.6	-174.1	0	0	0	0	111.9	H419 P420 H426	H419-V422 PolarHBondContact O-N 3.11Å; P420-V422 VanDerWaalsContact C-N 3.32Å; P420-V422 PolarHBondContact O-N 2.98Å; V422-H426 PolarHBondContact O-CE1 2.82Å; V422-H426 PolarHBondContact O-ND1 3.27Å
423	Q	33.9	Very low	43.1	Very low	164 Å²	164	99.9 Å²	99.9	77%	0.766	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-23.3	179	-115.4	170	4	0	0	113.6
424	Q	33.9	Very low	45.7	Very low	165 Å²	165	97.7 Å²	97.7	77%	0.771	54%	0.543	S	S	*	.	S	Bend	trans	-88.2	-14.5	-171	-92	179.2	-13.5	0	0	115.8
425	L	38.3	Very low	48.3	Very low	12 Å²	12	91.6 Å²	91.6	6%	0.063	50%	0.504	C	S	.	.	S	Bend	trans	-83.1	-20.9	-174.7	-68.4	158.2	0	0	0	113.5	G427 H455 T458 Y462	L425-G427 PolarHBondContact O-N 2.95Å; L425-H455 WeakPolarHBondContact CD2-ND1 3.32Å; L425-H455 PolarHBondContact O-CE1 3.27Å; L425-H455 PolarHBondContact O-NE2 2.92Å; L425-T458 HydrophobicContact CD2-CG2 3.3Å; L425-T458 WeakPolarHBondContact CD2-OG1 3.27Å; L425-T458 HydrophobicContact CG-CG2 4.23Å; L425-Y462 VanDerWaalsContact CD1-OH 3.29Å; L425-Y462 WeakPolarHBondContact CD1-OH 3.45Å
426	H	50.8	Low	51.3	Low	44 Å²	44	84 Å²	84	20%	0.204	47%	0.468	C	S	.	.			trans	-111.7	57.6	-150.1	-52.2	103.4	0	0	0	115.6	V422 D495	V422-H426 PolarHBondContact O-CE1 2.82Å; V422-H426 PolarHBondContact O-ND1 3.27Å; H426-D495 IonicContact CD2-OD1 2.64Å; H426-D495 PolarHBondContact CD2-OD1 3.38Å; H426-D495 IonicContact CD2-OD2 2.78Å; H426-D495 IonicContact NE2-OD1 3.73Å; H426-D495 IonicContact NE2-OD2 3.69Å; H426-D495 PolarHBondContact NE2-OD2 2.83Å
427	G	45.6	Very low	54.4	Low	54 Å²	54	81.5 Å²	81.5	56%	0.557	45%	0.45	S	S	*	.			trans	-57.5	178.3	167	0	0	0	0	0	113.9	L425 N429	L425-G427 PolarHBondContact O-N 2.95Å; G427-N429 PolarHBondContact O-N 2.95Å
428	K	50	Low	57.7	Low	186 Å²	186	79.3 Å²	79.3	81%	0.809	43%	0.432	S	S	*	.	S	Bend	trans	-57.5	31.2	-175.3	-62.8	-179.5	172.3	-177.2	0	117.1	L430	K428-L430 PolarHBondContact O-N 3.22Å
429	N	55.5	Low	60.7	Low	60 Å²	60	79 Å²	79	32%	0.321	42%	0.421	S	S	.	.			trans	-80.5	106.5	-172.2	-66.5	-24.7	0	0	0	110.4	G427 D434 G435	G427-N429 PolarHBondContact O-N 2.95Å; N429-D434 HydrophobicContact CB-CB 3.72Å; N429-G435 VanDerWaalsContact ND2-CA 3.25Å; N429-G435 WeakPolarHBondContact ND2-CA 3.39Å
430	L	61.6	Low	63.8	Low	115 Å²	115	77.2 Å²	77.2	60%	0.602	41%	0.413	S	S	*	.			trans	-85.9	-29	-179.3	-72.9	162.4	0	0	0	111.7	K428 D434	K428-L430 PolarHBondContact O-N 3.22Å; L430-D434 PolarHBondContact N-OD2 2.66Å
431	L	76.6	Confident	66.9	Low	96 Å²	96	77 Å²	77	50%	0.503	41%	0.407	S	S	.	.	S	Bend	trans	-109.6	150.2	177.4	-61.1	167.4	0	0	0	110.6	S433 D434	L431-S433 PolarHBondContact O-N 3.17Å; L431-D434 WeakPolarHBondContact CB-OD2 3.47Å; L431-D434 PolarHBondContact N-OD2 3.05Å; L431-D434 VanDerWaalsContact O-CB 3.31Å; L431-D434 WeakPolarHBondContact O-CB 3.12Å; L431-D434 PolarHBondContact O-N 3.02Å
432	F	84	Confident	69.5	Low	17 Å²	17	76.8 Å²	76.8	8%	0.075	40%	0.402	C	S	.	.	H	α-helix	trans	-52.2	-43	172.6	171.4	-86.1	0	0	0	111.3	D434 G435 Y436 L438 C453 V464 Y497 F504 V506	F432-D434 PolarHBondContact O-N 3.47Å; F432-G435 PolarHBondContact O-N 2.93Å; F432-Y436 HydrophobicContact CD2-CD2 4.36Å; F432-Y436 HydrophobicContact CD2-CG 4.49Å; F432-Y436 HydrophobicContact CE2-CD2 4.22Å; F432-Y436 AromaticContact CE2-CG 3.94Å; F432-Y436 HydrophobicContact CE2-CG 3.94Å; F432-Y436 HydrophobicContact CZ-CG 4.15Å; F432-Y436 PolarHBondContact O-N 2.68Å; F432-L438 HydrophobicContact CE1-CD1 4.25Å; F432-L438 HydrophobicContact CE1-CD2 3.92Å; F432-L438 HydrophobicContact CE1-CG 3.65Å; F432-L438 HydrophobicContact CZ-CD2 3.75Å; F432-L438 HydrophobicContact CZ-CG 4Å; F432-C453 HydrophobicContact CZ-CB 4.11Å; F432-V464 HydrophobicContact CD2-CG2 4.46Å; F432-V464 HydrophobicContact CE2-CB 4.22Å; F432-V464 HydrophobicContact CE2-CG1 4.31Å; F432-V464 HydrophobicContact CE2-CG2 3.78Å; F432-V464 HydrophobicContact CZ-CG1 4.15Å; F432-V464 HydrophobicContact CZ-CG2 4.38Å; F432-Y497 HydrophobicContact CB-CD1 4.27Å; F432-Y497 HydrophobicContact CB-CD2 3.87Å; F432-Y497 HydrophobicContact CB-CE2 4.44Å; F432-Y497 HydrophobicContact CB-CG 3.75Å; F432-Y497 AromaticContact CD2-CD2 3.68Å; F432-Y497 HydrophobicContact CD2-CD2 3.68Å; F432-Y497 AromaticContact CD2-CE2 3.98Å; F432-Y497 HydrophobicContact CD2-CE2 3.98Å; F432-Y497 HydrophobicContact CD2-CG 4.43Å; F432-Y497 HydrophobicContact CG-CD2 4.27Å; F432-F504 HydrophobicContact CB-CD1 4.43Å; F432-F504 HydrophobicContact CB-CD2 4.36Å; F432-F504 HydrophobicContact CB-CG 4.19Å; F432-F504 HydrophobicContact CD1-CD1 4.22Å; F432-F504 HydrophobicContact CD1-CE1 4.43Å; F432-F504 HydrophobicContact CD2-CB 3.8Å; F432-F504 AromaticContact CD2-CD1 4Å; F432-F504 HydrophobicContact CD2-CD1 4Å; F432-F504 HydrophobicContact CD2-CG 4.03Å; F432-F504 HydrophobicContact CE2-CB 4.43Å; F432-F504 HydrophobicContact CE2-CD1 4.36Å; F432-F504 HydrophobicContact CG-CB 4.29Å; F432-F504 AromaticContact CG-CD1 3.92Å; F432-F504 HydrophobicContact CG-CD1 3.92Å; F432-F504 HydrophobicContact CG-CE1 4.47Å; F432-F504 HydrophobicContact CG-CG 4.05Å; F432-V506 HydrophobicContact CD2-CG2 4.27Å; F432-V506 HydrophobicContact CE2-CG2 3.92Å
433	S	85.7	Confident	71.6	Confident	68 Å²	68	74.4 Å²	74.4	48%	0.476	39%	0.394	S	S	.	.	H	α-helix	trans	-65.5	-15.3	179.9	53.7	0	0	0	0	113.9	L431 K456	L431-S433 PolarHBondContact O-N 3.17Å; S433-K456 VanDerWaalsContact O-CE 3.32Å; S433-K456 WeakPolarHBondContact O-CE 3.26Å; S433-K456 PolarHBondContact O-NZ 3.27Å
434	D	83.9	Confident	73.1	Confident	63 Å²	63	74.3 Å²	74.3	34%	0.337	40%	0.395	S	S	.	.	H	α-helix	trans	-76.9	-42.9	177.2	-59.1	-21.2	0	0	0	109.9	N429 L430 L431 F432 K456	N429-D434 HydrophobicContact CB-CB 3.72Å; L430-D434 PolarHBondContact N-OD2 2.66Å; L431-D434 WeakPolarHBondContact CB-OD2 3.47Å; L431-D434 PolarHBondContact N-OD2 3.05Å; L431-D434 VanDerWaalsContact O-CB 3.31Å; L431-D434 WeakPolarHBondContact O-CB 3.12Å; L431-D434 PolarHBondContact O-N 3.02Å; F432-D434 PolarHBondContact O-N 3.47Å; D434-K456 WeakPolarHBondContact O-CD 3.37Å; D434-K456 PolarHBondContact O-NZ 3.01Å
435	G	82.6	Confident	74.5	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.01	38%	0.379	C	S	.	.	H	α-helix	trans	-92.4	-27.3	-176.9	0	0	0	0	0	115.5	N429 F432 H455 K456	N429-G435 VanDerWaalsContact ND2-CA 3.25Å; N429-G435 WeakPolarHBondContact ND2-CA 3.39Å; F432-G435 PolarHBondContact O-N 2.93Å; G435-H455 PolarHBondContact O-CD2 2.65Å; G435-H455 VanDerWaalsContact O-CD2 3.22Å; G435-K456 PolarHBondContact O-N 3.15Å
436	Y	92.2	Very high	75.3	Confident	5 Å²	5	72.3 Å²	72.3	2%	0.02	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.6	-168.3	-70.1	-92	0	0	0	113.4	F432 C453 I454 H455 Y462 D495 Y497 V506	F432-Y436 HydrophobicContact CD2-CD2 4.36Å; F432-Y436 HydrophobicContact CD2-CG 4.49Å; F432-Y436 HydrophobicContact CE2-CD2 4.22Å; F432-Y436 AromaticContact CE2-CG 3.94Å; F432-Y436 HydrophobicContact CE2-CG 3.94Å; F432-Y436 HydrophobicContact CZ-CG 4.15Å; F432-Y436 PolarHBondContact O-N 2.68Å; Y436-C453 HydrophobicContact CD1-CB 4.32Å; Y436-I454 CarbonylContact C-O 3.58Å; Y436-I454 WeakPolarHBondContact CA-O 3.2Å; Y436-H455 HydrophobicContact CD1-CB 4.06Å; Y436-H455 HydrophobicContact CE1-CB 3.64Å; Y436-H455 AromaticContact CE1-CD2 3.9Å; Y436-H455 AromaticContact CE2-CD2 3.82Å; Y436-H455 AromaticContact CZ-CD2 3.57Å; Y436-Y462 AromaticContact CE1-CD2 3.62Å; Y436-Y462 HydrophobicContact CE1-CD2 3.62Å; Y436-Y462 HydrophobicContact CE1-CE2 4.12Å; Y436-Y462 HydrophobicContact CE1-CG 4.28Å; Y436-D495 PolarHBondContact OH-OD2 3.44Å; Y436-Y497 AromaticContact CD2-CE2 3.98Å; Y436-Y497 HydrophobicContact CD2-CE2 3.98Å; Y436-Y497 AromaticContact CE2-CE2 3.96Å; Y436-Y497 HydrophobicContact CE2-CE2 3.96Å; Y436-Y497 WeakPolarHBondContact CE2-OH 3.33Å; Y436-V506 HydrophobicContact CE1-CG1 3.78Å; Y436-V506 HydrophobicContact CE2-CG2 4.32Å
437	V	93.8	Very high	76.1	Confident	59 Å²	59	75.5 Å²	75.5	36%	0.358	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.2	170.2	179.8	0	0	0	0	108.6	C453 I454 K456	V437-C453 CarbonylContact O-C 3.53Å; V437-C453 WeakPolarHBondContact O-CA 3.25Å; V437-C453 WeakPolarHBondContact O-CB 3.42Å; V437-I454 PolarHBondContact N-O 3.35Å; V437-I454 PolarHBondContact O-N 2.9Å; V437-K456 HydrophobicContact CG2-CD 4.19Å; V437-K456 HydrophobicContact CG2-CG 3.73Å
438	L	94.1	Very high	77.8	Confident	72 Å²	72	73.9 Å²	73.9	38%	0.377	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	144.8	172.7	-75	171.1	0	0	0	111.2	F432 K451 C453 V464	F432-L438 HydrophobicContact CE1-CD1 4.25Å; F432-L438 HydrophobicContact CE1-CD2 3.92Å; F432-L438 HydrophobicContact CE1-CG 3.65Å; F432-L438 HydrophobicContact CZ-CD2 3.75Å; F432-L438 HydrophobicContact CZ-CG 4Å; L438-K451 HydrophobicContact CD1-CD 4.43Å; L438-K451 HydrophobicContact CD2-CB 4.03Å; L438-K451 HydrophobicContact CD2-CD 3.97Å; L438-C453 HydrophobicContact CD2-CB 4.42Å; L438-V464 HydrophobicContact CD2-CG1 3.41Å; L438-V464 VanDerWaalsContact CD2-CG1 3.41Å
439	K	94.6	Very high	79.5	Confident	88 Å²	88	67.3 Å²	67.3	38%	0.383	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	-151.9	175.6	-60.1	-64.4	-175.3	-178.5	0	109.2	R452 I454	K439-R452 WeakPolarHBondContact CA-O 3.37Å; K439-R452 HydrophobicContact CB-CB 4.13Å; K439-R452 HydrophobicContact CB-CG 4.49Å; K439-R452 WeakPolarHBondContact CB-O 3.41Å; K439-R452 PolarHBondContact N-O 3.04Å; K439-I454 HydrophobicContact CD-CD1 4.41Å; K439-I454 VanDerWaalsContact CE-CD1 3.41Å; K439-I454 HydrophobicContact CG-CD1 4.28Å; K439-I454 HydrophobicContact CG-CG1 4.06Å
440	E	92.9	Very high	81.1	Confident	100 Å²	100	66.2 Å²	66.2	47%	0.467	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	163	-178	70	-79.4	178.7	0	0	114.1	K451 R452	E440-K451 CarbonylContact O-C 3.59Å; E440-K451 WeakPolarHBondContact O-CA 3.33Å; E440-R452 VanDerWaalsContact CD-NH2 3.3Å; E440-R452 PolarHBondContact O-N 3.43Å; E440-R452 IonicContact OE1-CZ 3.22Å; E440-R452 VanDerWaalsContact OE1-CZ 3.28Å; E440-R452 IonicContact OE1-NE 3.85Å; E440-R452 PolarHBondContact OE1-NE 3.27Å; E440-R452 IonicContact OE1-NH2 2.64Å; E440-R452 PolarHBondContact OE1-NH2 3.28Å; E440-R452 IonicContact OE2-CZ 3.4Å; E440-R452 IonicContact OE2-NE 2.66Å; E440-R452 IonicContact OE2-NH2 3.89Å; E440-R452 PolarHBondContact OE2-NH2 2.8Å
441	D	90.4	Very high	82.7	Confident	85 Å²	85	63.2 Å²	63.2	46%	0.455	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	127	177.1	-64.3	17.9	0	0	0	108.5	K451	D441-K451 VanDerWaalsContact CG-NZ 3.33Å; D441-K451 IonicContact OD1-NZ 2.71Å; D441-K451 PolarHBondContact OD1-NZ 2.74Å; D441-K451 IonicContact OD2-NZ 3.06Å; D441-K451 PolarHBondContact OD2-NZ 2.89Å
442	I	86.4	Confident	83.5	Confident	79 Å²	79	60.5 Å²	60.5	41%	0.405	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-9	-179.3	61.4	175	0	0	0	112.2	C450 R452 A463 L509	I442-C450 HydrophobicContact CG1-CB 4.01Å; I442-C450 WeakPolarHBondContact CG1-O 3.3Å; I442-C450 PolarHBondContact N-O 2.67Å; I442-R452 HydrophobicContact CG2-CB 3.85Å; I442-A463 HydrophobicContact CD1-CB 3.68Å; I442-L509 HydrophobicContact CD1-CD1 3.8Å
443	G	77.5	Confident	84.1	Confident	30 Å²	30	59.7 Å²	59.7	31%	0.309	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	152.2	173	0	0	0	0	0	112.5	C450	G443-C450 PolarHBondContact N-O 3.19Å; G443-C450 VanDerWaalsContact N-O 3.12Å; G443-C450 PolarHBondContact O-N 3.4Å
444	M	65.6	Low	84.5	Confident	162 Å²	162	57.6 Å²	57.6	80%	0.798	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123	121.7	174.3	-66	-170.9	-64.9	0	0	109.4
445	G	62.1	Low	84.9	Confident	43 Å²	43	54.7 Å²	54.7	44%	0.443	30%	0.302	S	S	.	.			trans	-97	174.8	166.9	0	0	0	0	0	111	F447 S448	G445-F447 PolarHBondContact O-N 2.71Å; G445-S448 WeakPolarHBondContact CA-O 3.43Å; G445-S448 PolarHBondContact N-O 2.68Å
446	S	56.3	Low	85.2	Confident	92 Å²	92	60 Å²	60	64%	0.643	32%	0.324	S	S	*	.	S	Bend	trans	-63.2	-29.8	-179.8	-52.4	0	0	0	0	113.5
447	F	66.8	Low	84.9	Confident	111 Å²	111	63.7 Å²	63.7	49%	0.487	36%	0.357	S	S	.	.	S	Bend	trans	-134.4	10.2	-173.7	-48.9	-65.7	0	0	0	113	G445	G445-F447 PolarHBondContact O-N 2.71Å
448	S	80.3	Confident	84.7	Confident	20 Å²	20	63.5 Å²	63.5	14%	0.14	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	148.3	-175.8	65.4	0	0	0	0	111.8	G445 K465 V466	G445-S448 WeakPolarHBondContact CA-O 3.43Å; G445-S448 PolarHBondContact N-O 2.68Å; S448-K465 WeakPolarHBondContact OG-CE 3.36Å; S448-V466 CarbonylContact C-O 3.56Å; S448-V466 VanDerWaalsContact CA-O 3.23Å; S448-V466 WeakPolarHBondContact CA-O 3.47Å; S448-V466 WeakPolarHBondContact CB-O 3.43Å
449	V	86.8	Confident	84.5	Confident	47 Å²	47	66 Å²	66	29%	0.285	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.6	173.3	-175.8	0	0	0	0	109.2	K451 V466	V449-K451 HydrophobicContact CG1-CG 4.01Å; V449-V466 PolarHBondContact N-O 3.41Å; V449-V466 PolarHBondContact O-N 3.07Å
450	C	89.5	Confident	84.4	Confident	38 Å²	38	64.5 Å²	64.5	26%	0.257	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	124.1	173.3	-66	0	0	0	0	109.1	I442 G443 V464	I442-C450 HydrophobicContact CG1-CB 4.01Å; I442-C450 WeakPolarHBondContact CG1-O 3.3Å; I442-C450 PolarHBondContact N-O 2.67Å; G443-C450 PolarHBondContact N-O 3.19Å; G443-C450 VanDerWaalsContact N-O 3.12Å; G443-C450 PolarHBondContact O-N 3.4Å; C450-V464 CarbonylContact C-O 3.6Å; C450-V464 WeakPolarHBondContact CA-O 3.27Å
451	K	93.9	Very high	84.4	Confident	51 Å²	51	62.5 Å²	62.5	22%	0.222	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	150.2	178.9	-61.9	178.2	-177.9	-84.3	0	109.9	L438 E440 D441 V449 A463 V464	L438-K451 HydrophobicContact CD1-CD 4.43Å; L438-K451 HydrophobicContact CD2-CB 4.03Å; L438-K451 HydrophobicContact CD2-CD 3.97Å; E440-K451 CarbonylContact O-C 3.59Å; E440-K451 WeakPolarHBondContact O-CA 3.33Å; D441-K451 VanDerWaalsContact CG-NZ 3.33Å; D441-K451 IonicContact OD1-NZ 2.71Å; D441-K451 PolarHBondContact OD1-NZ 2.74Å; D441-K451 IonicContact OD2-NZ 3.06Å; D441-K451 PolarHBondContact OD2-NZ 2.89Å; V449-K451 HydrophobicContact CG1-CG 4.01Å; K451-A463 CarbonylContact O-C 3.58Å; K451-V464 HydrophobicContact CB-CG1 4.09Å; K451-V464 PolarHBondContact N-O 2.79Å; K451-V464 WeakPolarHBondContact O-CG1 3.34Å; K451-V464 PolarHBondContact O-N 3.34Å
452	R	95.1	Very high	84.6	Confident	39 Å²	39	59.2 Å²	59.2	15%	0.147	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	144.3	164.2	-174.3	174.2	61	94.3	3.6	108.5	K439 E440 I442 E461 Y462 L509	K439-R452 WeakPolarHBondContact CA-O 3.37Å; K439-R452 HydrophobicContact CB-CB 4.13Å; K439-R452 HydrophobicContact CB-CG 4.49Å; K439-R452 WeakPolarHBondContact CB-O 3.41Å; K439-R452 PolarHBondContact N-O 3.04Å; E440-R452 VanDerWaalsContact CD-NH2 3.3Å; E440-R452 PolarHBondContact O-N 3.43Å; E440-R452 IonicContact OE1-CZ 3.22Å; E440-R452 VanDerWaalsContact OE1-CZ 3.28Å; E440-R452 IonicContact OE1-NE 3.85Å; E440-R452 PolarHBondContact OE1-NE 3.27Å; E440-R452 IonicContact OE1-NH2 2.64Å; E440-R452 PolarHBondContact OE1-NH2 3.28Å; E440-R452 IonicContact OE2-CZ 3.4Å; E440-R452 IonicContact OE2-NE 2.66Å; E440-R452 IonicContact OE2-NH2 3.89Å; E440-R452 PolarHBondContact OE2-NH2 2.8Å; I442-R452 HydrophobicContact CG2-CB 3.85Å; R452-E461 IonicContact CZ-OE1 2.69Å; R452-E461 IonicContact NH1-OE1 3.53Å; R452-E461 PolarHBondContact NH1-OE1 3.25Å; R452-Y462 WeakPolarHBondContact CA-O 3.47Å; R452-L509 HydrophobicContact CG-CD2 4.19Å
453	C	95.3	Very high	85	Confident	0 Å²	0	56 Å²	56	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	158.7	170.9	65	0	0	0	0	111.2	F432 Y436 V437 L438 E461 Y462 V464	F432-C453 HydrophobicContact CZ-CB 4.11Å; Y436-C453 HydrophobicContact CD1-CB 4.32Å; V437-C453 CarbonylContact O-C 3.53Å; V437-C453 WeakPolarHBondContact O-CA 3.25Å; V437-C453 WeakPolarHBondContact O-CB 3.42Å; L438-C453 HydrophobicContact CD2-CB 4.42Å; C453-E461 WeakPolarHBondContact O-CA 3.3Å; C453-Y462 PolarHBondContact N-O 3.35Å; C453-Y462 PolarHBondContact O-N 2.82Å; C453-V464 HydrophobicContact CB-CG1 3.89Å
454	I	94.3	Very high	85.8	Confident	24 Å²	24	54.6 Å²	54.6	12%	0.123	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127	178	-54.6	-174.7	0	0	0	108.3	Y436 V437 K439 K456 N459 T460 E461	Y436-I454 CarbonylContact C-O 3.58Å; Y436-I454 WeakPolarHBondContact CA-O 3.2Å; V437-I454 PolarHBondContact N-O 3.35Å; V437-I454 PolarHBondContact O-N 2.9Å; K439-I454 HydrophobicContact CD-CD1 4.41Å; K439-I454 VanDerWaalsContact CE-CD1 3.41Å; K439-I454 HydrophobicContact CG-CD1 4.28Å; K439-I454 HydrophobicContact CG-CG1 4.06Å; I454-K456 PolarHBondContact O-N 2.74Å; I454-N459 WeakPolarHBondContact CG2-OD1 3.48Å; I454-T460 WeakPolarHBondContact CA-O 3.36Å; I454-E461 HydrophobicContact CG1-CG 4.34Å
455	H	91.7	Very high	87	Confident	2 Å²	2	48 Å²	48	1%	0.009	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	124.8	172.8	-177.2	-110.9	0	0	0	110.1	L425 G435 Y436 A457 T458 N459 T460 Y462	L425-H455 WeakPolarHBondContact CD2-ND1 3.32Å; L425-H455 PolarHBondContact O-CE1 3.27Å; L425-H455 PolarHBondContact O-NE2 2.92Å; G435-H455 PolarHBondContact O-CD2 2.65Å; G435-H455 VanDerWaalsContact O-CD2 3.22Å; Y436-H455 HydrophobicContact CD1-CB 4.06Å; Y436-H455 HydrophobicContact CE1-CB 3.64Å; Y436-H455 AromaticContact CE1-CD2 3.9Å; Y436-H455 AromaticContact CE2-CD2 3.82Å; Y436-H455 AromaticContact CZ-CD2 3.57Å; H455-A457 PolarHBondContact O-N 3.25Å; H455-T458 PolarHBondContact ND1-N 3.29Å; H455-T458 PolarHBondContact ND1-OG1 3.49Å; H455-N459 WeakPolarHBondContact O-CA 3.33Å; H455-N459 PolarHBondContact O-N 2.85Å; H455-T460 PolarHBondContact N-O 3.4Å; H455-Y462 HydrophobicContact CB-CD2 4.07Å; H455-Y462 HydrophobicContact CB-CE2 3.71Å
456	K	89.1	Confident	88.4	Confident	112 Å²	112	46.7 Å²	46.7	49%	0.487	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-37.4	-169.2	-70.7	-174.5	-167.9	173.1	0	113.9	S433 D434 G435 V437 I454	S433-K456 VanDerWaalsContact O-CE 3.32Å; S433-K456 WeakPolarHBondContact O-CE 3.26Å; S433-K456 PolarHBondContact O-NZ 3.27Å; D434-K456 WeakPolarHBondContact O-CD 3.37Å; D434-K456 PolarHBondContact O-NZ 3.01Å; G435-K456 PolarHBondContact O-N 3.15Å; V437-K456 HydrophobicContact CG2-CD 4.19Å; V437-K456 HydrophobicContact CG2-CG 3.73Å; I454-K456 PolarHBondContact O-N 2.74Å
457	A	87.2	Confident	89.9	Confident	84 Å²	84	42.6 Å²	42.6	69%	0.694	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-35.6	-173.9	0	0	0	0	0	112.8	H455	H455-A457 PolarHBondContact O-N 3.25Å
458	T	89.2	Confident	90.7	Very high	55 Å²	55	39.3 Å²	39.3	34%	0.337	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-7.1	-175.2	60.4	0	0	0	0	113.6	L425 H455 T460	L425-T458 HydrophobicContact CD2-CG2 3.3Å; L425-T458 WeakPolarHBondContact CD2-OG1 3.27Å; L425-T458 HydrophobicContact CG-CG2 4.23Å; H455-T458 PolarHBondContact ND1-N 3.29Å; H455-T458 PolarHBondContact ND1-OG1 3.49Å; T458-T460 WeakPolarHBondContact CB-OG1 3.44Å; T458-T460 PolarHBondContact O-N 3.25Å; T458-T460 VanDerWaalsContact O-N 3.1Å; T458-T460 PolarHBondContact OG1-N 3.09Å; T458-T460 PolarHBondContact OG1-OG1 3.42Å
459	N	89.6	Confident	90.7	Very high	125 Å²	125	41.7 Å²	41.7	67%	0.668	23%	0.227	S	C	*	.			trans	56.3	22.5	-174.2	-158.6	45.5	0	0	0	113.6	I454 H455	I454-N459 WeakPolarHBondContact CG2-OD1 3.48Å; H455-N459 WeakPolarHBondContact O-CA 3.33Å; H455-N459 PolarHBondContact O-N 2.85Å
460	T	91.8	Very high	90.2	Very high	56 Å²	56	45.2 Å²	45.2	34%	0.344	25%	0.248	S	C	.	.			trans	-81.9	137.5	179.3	-46.2	0	0	0	0	110	I454 H455 T458 Y462	I454-T460 WeakPolarHBondContact CA-O 3.36Å; H455-T460 PolarHBondContact N-O 3.4Å; T458-T460 WeakPolarHBondContact CB-OG1 3.44Å; T458-T460 PolarHBondContact O-N 3.25Å; T458-T460 VanDerWaalsContact O-N 3.1Å; T458-T460 PolarHBondContact OG1-N 3.09Å; T458-T460 PolarHBondContact OG1-OG1 3.42Å; T460-Y462 HydrophobicContact CG2-CD2 4.49Å; T460-Y462 HydrophobicContact CG2-CE1 4.4Å; T460-Y462 HydrophobicContact CG2-CE2 3.77Å; T460-Y462 WeakPolarHBondContact O-CD2 3.42Å
461	E	93.9	Very high	89.4	Confident	57 Å²	57	45.9 Å²	45.9	27%	0.266	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	140.7	178.5	-52.8	-166.1	137.9	0	0	112	R452 C453 I454 L509 R511	R452-E461 IonicContact CZ-OE1 2.69Å; R452-E461 IonicContact NH1-OE1 3.53Å; R452-E461 PolarHBondContact NH1-OE1 3.25Å; C453-E461 WeakPolarHBondContact O-CA 3.3Å; I454-E461 HydrophobicContact CG1-CG 4.34Å; E461-L509 HydrophobicContact CB-CD2 4Å; E461-R511 IonicContact OE2-CZ 3.4Å; E461-R511 IonicContact OE2-NH1 2.75Å; E461-R511 PolarHBondContact OE2-NH1 3.46Å; E461-R511 IonicContact OE2-NH2 3.69Å; E461-R511 PolarHBondContact OE2-NH2 3.13Å
462	Y	95.1	Very high	88.4	Confident	17 Å²	17	46 Å²	46	7%	0.067	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	168.4	-178.7	-66.1	-79	0	0	0	110.4	L425 Y436 R452 C453 H455 T460 K494 V506 T507	L425-Y462 VanDerWaalsContact CD1-OH 3.29Å; L425-Y462 WeakPolarHBondContact CD1-OH 3.45Å; Y436-Y462 AromaticContact CE1-CD2 3.62Å; Y436-Y462 HydrophobicContact CE1-CD2 3.62Å; Y436-Y462 HydrophobicContact CE1-CE2 4.12Å; Y436-Y462 HydrophobicContact CE1-CG 4.28Å; R452-Y462 WeakPolarHBondContact CA-O 3.47Å; C453-Y462 PolarHBondContact N-O 3.35Å; C453-Y462 PolarHBondContact O-N 2.82Å; H455-Y462 HydrophobicContact CB-CD2 4.07Å; H455-Y462 HydrophobicContact CB-CE2 3.71Å; T460-Y462 HydrophobicContact CG2-CD2 4.49Å; T460-Y462 HydrophobicContact CG2-CE1 4.4Å; T460-Y462 HydrophobicContact CG2-CE2 3.77Å; T460-Y462 WeakPolarHBondContact O-CD2 3.42Å; Y462-K494 HydrophobicContact CD1-CG 4.14Å; Y462-K494 HydrophobicContact CE1-CD 4.47Å; Y462-K494 HydrophobicContact CE1-CG 3.93Å; Y462-V506 HydrophobicContact CD1-CG1 4.35Å; Y462-V506 HydrophobicContact CG-CG1 3.99Å; Y462-T507 WeakPolarHBondContact CB-O 3.3Å; Y462-T507 WeakPolarHBondContact CD1-O 3.29Å
463	A	93.7	Very high	87.6	Confident	11 Å²	11	49.3 Å²	49.3	9%	0.091	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	144.2	165.1	0	0	0	0	0	109	I442 K451 V506 T507 L509	I442-A463 HydrophobicContact CD1-CB 3.68Å; K451-A463 CarbonylContact O-C 3.58Å; A463-V506 CarbonylContact O-C 3.57Å; A463-V506 WeakPolarHBondContact O-CA 3.5Å; A463-T507 PolarHBondContact N-O 2.7Å; A463-T507 PolarHBondContact O-N 2.62Å; A463-T507 PolarHBondContact O-OG1 3.26Å; A463-L509 HydrophobicContact CB-CD1 4.07Å
464	V	94.4	Very high	86.8	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.4	171.9	58.7	0	0	0	0	110.3	F432 L438 C450 K451 C453 V466 F504 M505 V506	F432-V464 HydrophobicContact CD2-CG2 4.46Å; F432-V464 HydrophobicContact CE2-CB 4.22Å; F432-V464 HydrophobicContact CE2-CG1 4.31Å; F432-V464 HydrophobicContact CE2-CG2 3.78Å; F432-V464 HydrophobicContact CZ-CG1 4.15Å; F432-V464 HydrophobicContact CZ-CG2 4.38Å; L438-V464 HydrophobicContact CD2-CG1 3.41Å; L438-V464 VanDerWaalsContact CD2-CG1 3.41Å; C450-V464 CarbonylContact C-O 3.6Å; C450-V464 WeakPolarHBondContact CA-O 3.27Å; K451-V464 HydrophobicContact CB-CG1 4.09Å; K451-V464 PolarHBondContact N-O 2.79Å; K451-V464 WeakPolarHBondContact O-CG1 3.34Å; K451-V464 PolarHBondContact O-N 3.34Å; C453-V464 HydrophobicContact CB-CG1 3.89Å; V464-V466 HydrophobicContact CG2-CG2 4.33Å; V464-F504 HydrophobicContact CG2-CB 3.86Å; V464-F504 HydrophobicContact CG2-CD1 4.17Å; V464-M505 CarbonylContact C-O 3.44Å; V464-M505 VanDerWaalsContact CA-O 3.3Å; V464-M505 WeakPolarHBondContact CA-O 3.42Å; V464-V506 HydrophobicContact CB-CG2 4.35Å; V464-V506 HydrophobicContact CG2-CG2 4.12Å
465	K	91.3	Very high	85.8	Confident	25 Å²	25	50 Å²	50	11%	0.109	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	116.6	171.1	-169.2	179.7	-172	-173.2	0	107.7	S448 I467 E477 F504 M505 D575	S448-K465 WeakPolarHBondContact OG-CE 3.36Å; K465-I467 HydrophobicContact CD-CD1 4.03Å; K465-I467 HydrophobicContact CD-CG1 4.34Å; K465-I467 HydrophobicContact CG-CD1 4.16Å; K465-I467 HydrophobicContact CG-CG1 3.95Å; K465-E477 IonicContact NZ-OE1 2.82Å; K465-E477 PolarHBondContact NZ-OE1 3.24Å; K465-E477 IonicContact NZ-OE2 3.7Å; K465-E477 PolarHBondContact NZ-OE2 2.7Å; K465-F504 WeakPolarHBondContact O-CA 3.5Å; K465-M505 HydrophobicContact CB-CB 4.31Å; K465-M505 PolarHBondContact N-O 3.18Å; K465-M505 PolarHBondContact O-N 3Å; K465-D575 IonicContact NZ-OD1 2.65Å; K465-D575 PolarHBondContact NZ-OD1 3.01Å
466	V	91.6	Very high	84.9	Confident	15 Å²	15	53.3 Å²	53.3	9%	0.091	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115.3	177.8	-171.8	0	0	0	0	108.1	S448 V449 V464 Q502 V503 F504	S448-V466 CarbonylContact C-O 3.56Å; S448-V466 VanDerWaalsContact CA-O 3.23Å; S448-V466 WeakPolarHBondContact CA-O 3.47Å; S448-V466 WeakPolarHBondContact CB-O 3.43Å; V449-V466 PolarHBondContact N-O 3.41Å; V449-V466 PolarHBondContact O-N 3.07Å; V464-V466 HydrophobicContact CG2-CG2 4.33Å; V466-Q502 HydrophobicContact CG1-CB 4.48Å; V466-V503 WeakPolarHBondContact CA-O 3.48Å; V466-F504 HydrophobicContact CB-CD1 4.48Å; V466-F504 HydrophobicContact CB-CE1 4.49Å; V466-F504 HydrophobicContact CG1-CD1 4.16Å; V466-F504 HydrophobicContact CG1-CE1 3.81Å; V466-F504 HydrophobicContact CG1-CZ 4.16Å; V466-F504 HydrophobicContact CG2-CD1 3.76Å; V466-F504 HydrophobicContact CG2-CE1 3.89Å
467	I	87.1	Confident	84.7	Confident	6 Å²	6	48.6 Å²	48.6	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.3	-173.1	-54.5	176.8	0	0	0	108.9	K465 P474 Q502 V503 M505	K465-I467 HydrophobicContact CD-CD1 4.03Å; K465-I467 HydrophobicContact CD-CG1 4.34Å; K465-I467 HydrophobicContact CG-CD1 4.16Å; K465-I467 HydrophobicContact CG-CG1 3.95Å; I467-P474 HydrophobicContact CD1-CB 3.59Å; I467-P474 HydrophobicContact CD1-CG 4.38Å; I467-P474 HydrophobicContact CG2-CB 4.34Å; I467-P474 HydrophobicContact CG2-CG 4.38Å; I467-Q502 CarbonylContact O-C 3.57Å; I467-Q502 WeakPolarHBondContact O-CA 3.42Å; I467-V503 PolarHBondContact N-O 3.26Å; I467-V503 PolarHBondContact O-N 3Å; I467-M505 HydrophobicContact CD1-SD 3.55Å; I467-M505 VanDerWaalsContact CD1-SD 3.55Å
468	D	84.2	Confident	84.3	Confident	42 Å²	42	44.9 Å²	44.9	23%	0.225	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	116.8	172.7	-167.6	-40	0	0	0	110.2	T470 S471 T472	D468-T470 VanDerWaalsContact CG-OG1 3.31Å; D468-T470 PolarHBondContact O-N 3.25Å; D468-T470 WeakPolarHBondContact OD1-CB 3.48Å; D468-T470 WeakPolarHBondContact OD1-CG2 3.34Å; D468-T470 PolarHBondContact OD1-N 3.12Å; D468-T470 PolarHBondContact OD1-OG1 3.27Å; D468-S471 PolarHBondContact O-N 2.88Å; D468-S471 PolarHBondContact O-OG 3.01Å; D468-T472 PolarHBondContact O-N 3.14Å
469	K	79.4	Confident	83.6	Confident	70 Å²	70	42.6 Å²	42.6	30%	0.304	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-20	-175.9	-65.6	177.4	72	171.6	0	113.2	S471 D498 K501 V503	K469-S471 PolarHBondContact O-N 2.67Å; K469-D498 IonicContact NZ-OD1 2.67Å; K469-D498 PolarHBondContact NZ-OD1 3.29Å; K469-D498 IonicContact NZ-OD2 2.6Å; K469-D498 PolarHBondContact NZ-OD2 3.09Å; K469-K501 WeakPolarHBondContact CB-O 3.31Å; K469-K501 PolarHBondContact N-O 3.15Å; K469-V503 HydrophobicContact CD-CG2 3.66Å; K469-V503 HydrophobicContact CG-CG2 3.69Å
470	T	77.6	Confident	83.1	Confident	120 Å²	120	36.7 Å²	36.7	74%	0.736	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-22.9	174.7	65.7	0	0	0	0	112	D468	D468-T470 VanDerWaalsContact CG-OG1 3.31Å; D468-T470 PolarHBondContact O-N 3.25Å; D468-T470 WeakPolarHBondContact OD1-CB 3.48Å; D468-T470 WeakPolarHBondContact OD1-CG2 3.34Å; D468-T470 PolarHBondContact OD1-N 3.12Å; D468-T470 PolarHBondContact OD1-OG1 3.27Å
471	S	71.9	Confident	82.7	Confident	53 Å²	53	34.3 Å²	34.3	37%	0.371	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-33.5	-176.8	70.9	0	0	0	0	113.7	D468 K469	D468-S471 PolarHBondContact O-N 2.88Å; D468-S471 PolarHBondContact O-OG 3.01Å; K469-S471 PolarHBondContact O-N 2.67Å
472	T	74.1	Confident	81.9	Confident	54 Å²	54	33.2 Å²	33.2	33%	0.331	18%	0.184	S	C	.	.			trans	-158.3	139.5	-176.5	-62.6	0	0	0	0	109.7	D468 P474	D468-T472 PolarHBondContact O-N 3.14Å; T472-P474 WeakPolarHBondContact O-CD 3.42Å
473	D	76.6	Confident	81.1	Confident	107 Å²	107	35.3 Å²	35.3	57%	0.572	19%	0.192	S	C	*	.			trans	-87.6	112.3	172.2	-179.7	9.4	0	0	0	110.2	S475	D473-S475 VanDerWaalsContact C-N 3.27Å; D473-S475 PolarHBondContact O-N 2.97Å; D473-S475 VanDerWaalsContact OD1-CB 3.23Å; D473-S475 WeakPolarHBondContact OD1-CB 3.28Å; D473-S475 PolarHBondContact OD1-N 2.98Å; D473-S475 PolarHBondContact OD1-OG 3.19Å
474	P	79.4	Confident	80.6	Confident	5 Å²	5	35.5 Å²	35.5	3%	0.032	19%	0.19	C	C	.	.			trans	-84	3.3	-178.4	35.6	-36.2	0	0	0	113.7	I467 T472 E476 E477 I478 V503 M505	I467-P474 HydrophobicContact CD1-CB 3.59Å; I467-P474 HydrophobicContact CD1-CG 4.38Å; I467-P474 HydrophobicContact CG2-CB 4.34Å; I467-P474 HydrophobicContact CG2-CG 4.38Å; T472-P474 WeakPolarHBondContact O-CD 3.42Å; P474-E476 VanDerWaalsContact C-N 3.3Å; P474-E476 PolarHBondContact O-N 2.88Å; P474-E477 PolarHBondContact O-N 2.88Å; P474-I478 HydrophobicContact CB-CD1 4.04Å; P474-I478 HydrophobicContact CG-CD1 4.04Å; P474-I478 WeakPolarHBondContact O-CD1 3.23Å; P474-I478 VanDerWaalsContact O-CG1 3.32Å; P474-I478 WeakPolarHBondContact O-CG1 3.42Å; P474-I478 PolarHBondContact O-N 3.49Å; P474-V503 HydrophobicContact CG-CB 3.89Å; P474-V503 HydrophobicContact CG-CG1 4.22Å; P474-V503 HydrophobicContact CG-CG2 3.68Å; P474-M505 HydrophobicContact CB-SD 4.29Å
475	S	72.8	Confident	79.9	Confident	33 Å²	33	35.7 Å²	35.7	23%	0.231	19%	0.192	C	C	.	.	H	α-helix	trans	-55.7	-41.5	-172.2	-63.4	0	0	0	0	113.5	D473 E479	D473-S475 VanDerWaalsContact C-N 3.27Å; D473-S475 PolarHBondContact O-N 2.97Å; D473-S475 VanDerWaalsContact OD1-CB 3.23Å; D473-S475 WeakPolarHBondContact OD1-CB 3.28Å; D473-S475 PolarHBondContact OD1-N 2.98Å; D473-S475 PolarHBondContact OD1-OG 3.19Å; S475-E479 WeakPolarHBondContact O-CB 3.21Å; S475-E479 PolarHBondContact O-N 3.39Å
476	E	73.9	Confident	79.3	Confident	73 Å²	73	43.1 Å²	43.1	34%	0.341	23%	0.228	S	C	.	.	H	α-helix	trans	-69.5	-43	179.7	-170	72.7	-166.8	0	0	111.6	P474 I478 E479 I480 Q581	P474-E476 VanDerWaalsContact C-N 3.3Å; P474-E476 PolarHBondContact O-N 2.88Å; E476-I478 VanDerWaalsContact C-N 3.33Å; E476-I478 PolarHBondContact O-N 2.81Å; E476-E479 PolarHBondContact O-N 3.28Å; E476-I480 HydrophobicContact CG-CD1 4.09Å; E476-I480 WeakPolarHBondContact O-CG1 3.32Å; E476-I480 PolarHBondContact O-N 3.01Å; E476-Q581 WeakPolarHBondContact OE1-CB 3.42Å; E476-Q581 PolarHBondContact OE1-N 2.95Å
477	E	83.4	Confident	79.2	Confident	12 Å²	12	43.8 Å²	43.8	6%	0.056	23%	0.23	C	C	.	.	H	α-helix	trans	-59.3	-46	176.7	-175.3	178.4	-177.8	0	0	110.7	K465 P474 I480 L481 M505 F576 G577	K465-E477 IonicContact NZ-OE1 2.82Å; K465-E477 PolarHBondContact NZ-OE1 3.24Å; K465-E477 IonicContact NZ-OE2 3.7Å; K465-E477 PolarHBondContact NZ-OE2 2.7Å; P474-E477 PolarHBondContact O-N 2.88Å; E477-I480 PolarHBondContact O-N 3.19Å; E477-L481 HydrophobicContact CG-CD1 4.13Å; E477-L481 WeakPolarHBondContact O-CB 3.23Å; E477-L481 WeakPolarHBondContact O-CG 3.32Å; E477-L481 PolarHBondContact O-N 3.31Å; E477-M505 HydrophobicContact CG-CE 3.97Å; E477-F576 HydrophobicContact CG-CB 3.86Å; E477-G577 VanDerWaalsContact CD-N 3.34Å; E477-G577 WeakPolarHBondContact OE2-CA 3.24Å
478	I	79.6	Confident	79.4	Confident	6 Å²	6	47.2 Å²	47.2	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-61	-47.2	176.6	-66.1	160.8	0	0	0	110.3	F367 P474 E476 I480 L481 L482 L493 V496 V503 M505	F367-I478 HydrophobicContact CE2-CB 4.46Å; F367-I478 HydrophobicContact CE2-CG2 3.75Å; F367-I478 HydrophobicContact CZ-CB 4.49Å; F367-I478 HydrophobicContact CZ-CG2 4.08Å; P474-I478 HydrophobicContact CB-CD1 4.04Å; P474-I478 HydrophobicContact CG-CD1 4.04Å; P474-I478 WeakPolarHBondContact O-CD1 3.23Å; P474-I478 VanDerWaalsContact O-CG1 3.32Å; P474-I478 WeakPolarHBondContact O-CG1 3.42Å; P474-I478 PolarHBondContact O-N 3.49Å; E476-I478 VanDerWaalsContact C-N 3.33Å; E476-I478 PolarHBondContact O-N 2.81Å; I478-I480 PolarHBondContact O-N 3.35Å; I478-L481 PolarHBondContact O-N 3.38Å; I478-L482 HydrophobicContact CG2-CD1 3.67Å; I478-L482 HydrophobicContact CG2-CG 4.09Å; I478-L482 WeakPolarHBondContact O-CB 3.46Å; I478-L482 VanDerWaalsContact O-CG 3.23Å; I478-L482 WeakPolarHBondContact O-CG 3.23Å; I478-L482 PolarHBondContact O-N 2.84Å; I478-L493 HydrophobicContact CG2-CD2 4.16Å; I478-V496 HydrophobicContact CD1-CG1 4.09Å; I478-V496 HydrophobicContact CG2-CG2 4.06Å; I478-V503 HydrophobicContact CD1-CG1 3.89Å; I478-M505 HydrophobicContact CD1-CG 4.37Å; I478-M505 HydrophobicContact CD1-SD 4.2Å; I478-M505 HydrophobicContact CG1-CE 3.6Å; I478-M505 HydrophobicContact CG1-CG 4.08Å; I478-M505 HydrophobicContact CG1-SD 3.65Å
479	E	74.2	Confident	79.9	Confident	7 Å²	7	45.5 Å²	45.5	3%	0.033	24%	0.243	C	C	.	.	H	α-helix	trans	-59.7	-45.4	-179.7	-174	170.8	150	0	0	111.9	F356 A359 Y368 S475 E476 R483	F356-E479 WeakPolarHBondContact CE2-OE1 3.29Å; A359-E479 HydrophobicContact CB-CB 4.45Å; A359-E479 HydrophobicContact CB-CG 3.62Å; Y368-E479 PolarHBondContact OH-OE2 3.06Å; S475-E479 WeakPolarHBondContact O-CB 3.21Å; S475-E479 PolarHBondContact O-N 3.39Å; E476-E479 PolarHBondContact O-N 3.28Å; E479-R483 WeakPolarHBondContact O-CB 3.35Å; E479-R483 PolarHBondContact O-N 3.42Å; E479-R483 IonicContact OE1-CZ 2.82Å; E479-R483 IonicContact OE1-NH1 3.94Å; E479-R483 PolarHBondContact OE1-NH1 3.29Å; E479-R483 IonicContact OE1-NH2 3.69Å; E479-R483 PolarHBondContact OE1-NH2 3.05Å
480	I	78.9	Confident	80.6	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-62.5	-46.6	177.6	-69.9	170.8	0	0	0	110.5	E476 E477 I478 R483 Y484 V549 F576 A579	E476-I480 HydrophobicContact CG-CD1 4.09Å; E476-I480 WeakPolarHBondContact O-CG1 3.32Å; E476-I480 PolarHBondContact O-N 3.01Å; E477-I480 PolarHBondContact O-N 3.19Å; I478-I480 PolarHBondContact O-N 3.35Å; I480-R483 PolarHBondContact O-N 2.84Å; I480-Y484 HydrophobicContact CG2-CD2 3.99Å; I480-Y484 VanDerWaalsContact O-CD2 3.27Å; I480-Y484 WeakPolarHBondContact O-CD2 3.39Å; I480-Y484 PolarHBondContact O-N 2.76Å; I480-V549 HydrophobicContact CD1-CG1 4.24Å; I480-V549 HydrophobicContact CG2-CG1 4.16Å; I480-F576 HydrophobicContact CG2-CB 4.48Å; I480-F576 HydrophobicContact CG2-CD1 3.53Å; I480-F576 HydrophobicContact CG2-CE1 4.03Å; I480-F576 HydrophobicContact CG2-CG 4.22Å; I480-A579 HydrophobicContact CD1-CB 3.64Å
481	L	83.7	Confident	81.4	Confident	6 Å²	6	37 Å²	37	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-68.7	-37.6	-179	-71.3	177.4	0	0	0	112.9	E477 I478 R483 G485 I490 I491 L493 M505 F576	E477-L481 HydrophobicContact CG-CD1 4.13Å; E477-L481 WeakPolarHBondContact O-CB 3.23Å; E477-L481 WeakPolarHBondContact O-CG 3.32Å; E477-L481 PolarHBondContact O-N 3.31Å; I478-L481 PolarHBondContact O-N 3.38Å; L481-R483 VanDerWaalsContact C-N 3.3Å; L481-R483 PolarHBondContact O-N 2.87Å; L481-G485 VanDerWaalsContact O-CA 3.23Å; L481-G485 WeakPolarHBondContact O-CA 3.42Å; L481-G485 PolarHBondContact O-N 3.33Å; L481-I490 HydrophobicContact CD2-CG2 4.13Å; L481-I491 HydrophobicContact CD1-CG2 4.46Å; L481-I491 HydrophobicContact CD2-CG2 3.64Å; L481-L493 HydrophobicContact CB-CB 3.95Å; L481-L493 HydrophobicContact CB-CD2 4Å; L481-M505 HydrophobicContact CD1-CE 3.69Å; L481-F576 HydrophobicContact CD2-CB 4.41Å; L481-F576 HydrophobicContact CD2-CD2 3.56Å; L481-F576 HydrophobicContact CD2-CE2 3.98Å; L481-F576 HydrophobicContact CD2-CG 4.06Å; L481-F576 HydrophobicContact CG-CB 4.41Å; L481-F576 HydrophobicContact CG-CD2 4.42Å
482	L	76.8	Confident	82.2	Confident	35 Å²	35	36.3 Å²	36.3	18%	0.183	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-37.2	173.8	-69.1	173.7	0	0	0	111.4	A359 A361 I478 L493	A359-L482 HydrophobicContact CB-CB 4.03Å; A361-L482 HydrophobicContact CB-CD2 3.64Å; I478-L482 HydrophobicContact CG2-CD1 3.67Å; I478-L482 HydrophobicContact CG2-CG 4.09Å; I478-L482 WeakPolarHBondContact O-CB 3.46Å; I478-L482 VanDerWaalsContact O-CG 3.23Å; I478-L482 WeakPolarHBondContact O-CG 3.23Å; I478-L482 PolarHBondContact O-N 2.84Å; L482-L493 HydrophobicContact CD2-CD2 3.82Å; L482-L493 HydrophobicContact CG-CD2 3.96Å
483	R	77.7	Confident	82.8	Confident	60 Å²	60	34.6 Å²	34.6	23%	0.226	18%	0.179	C	C	.	.	H	α-helix	trans	-80.4	-39.1	-177	-168.2	175.4	-71.5	138.4	9.5	113.2	R357 A359 E479 I480 L481	R357-R483 VanDerWaalsContact O-CZ 3.29Å; R357-R483 PolarHBondContact O-NE 3.48Å; R357-R483 PolarHBondContact O-NH2 3.43Å; A359-R483 HydrophobicContact CB-CB 4.42Å; E479-R483 WeakPolarHBondContact O-CB 3.35Å; E479-R483 PolarHBondContact O-N 3.42Å; E479-R483 IonicContact OE1-CZ 2.82Å; E479-R483 IonicContact OE1-NH1 3.94Å; E479-R483 PolarHBondContact OE1-NH1 3.29Å; E479-R483 IonicContact OE1-NH2 3.69Å; E479-R483 PolarHBondContact OE1-NH2 3.05Å; I480-R483 PolarHBondContact O-N 2.84Å; L481-R483 VanDerWaalsContact C-N 3.3Å; L481-R483 PolarHBondContact O-N 2.87Å
484	Y	83.7	Confident	83.3	Confident	15 Å²	15	33 Å²	33	6%	0.059	17%	0.167	C	C	.	.	H	α-helix	trans	-118.5	-8.4	-169.2	-53.1	-66.4	0	0	0	114.6	I480 Q486 H487 Y543 Q547 V549 Q581	I480-Y484 HydrophobicContact CG2-CD2 3.99Å; I480-Y484 VanDerWaalsContact O-CD2 3.27Å; I480-Y484 WeakPolarHBondContact O-CD2 3.39Å; I480-Y484 PolarHBondContact O-N 2.76Å; Y484-Q486 PolarHBondContact O-N 3.36Å; Y484-H487 WeakPolarHBondContact O-CB 3.32Å; Y484-H487 PolarHBondContact O-N 3.42Å; Y484-Y543 HydrophobicContact CD1-CE1 4.27Å; Y484-Q547 HydrophobicContact CD1-CB 4.39Å; Y484-Q547 HydrophobicContact CD1-CG 4.17Å; Y484-Q547 HydrophobicContact CE1-CB 3.6Å; Y484-Q547 HydrophobicContact CE1-CG 3.66Å; Y484-V549 HydrophobicContact CD2-CG2 3.93Å; Y484-V549 HydrophobicContact CE2-CG2 3.33Å; Y484-Q581 VanDerWaalsContact CE2-OE1 3.32Å; Y484-Q581 PolarHBondContact OH-OE1 2.92Å
485	G	80.6	Confident	83.5	Confident	4 Å²	4	33.5 Å²	33.5	4%	0.041	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-2.6	-179.4	0	0	0	0	0	115.5	L481 H487	L481-G485 VanDerWaalsContact O-CA 3.23Å; L481-G485 WeakPolarHBondContact O-CA 3.42Å; L481-G485 PolarHBondContact O-N 3.33Å; G485-H487 VanDerWaalsContact C-N 3.3Å
486	Q	78.9	Confident	84	Confident	182 Å²	182	34.4 Å²	34.4	85%	0.85	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-16	169.9	-63.5	-173.1	2	0	0	112.9	Y484	Y484-Q486 PolarHBondContact O-N 3.36Å
487	H	88.9	Confident	84.4	Confident	28 Å²	28	32.4 Å²	32.4	13%	0.13	16%	0.162	C	C	.	.	S	Bend	trans	-64	132.9	174.7	-176.5	-84.5	0	0	0	109.5	Y484 G485 N489 I490 Y543	Y484-H487 WeakPolarHBondContact O-CB 3.32Å; Y484-H487 PolarHBondContact O-N 3.42Å; G485-H487 VanDerWaalsContact C-N 3.3Å; H487-N489 PolarHBondContact ND1-N 2.99Å; H487-N489 VanDerWaalsContact ND1-N 3.13Å; H487-N489 PolarHBondContact O-N 3.36Å; H487-I490 HydrophobicContact CB-CB 4.29Å; H487-I490 HydrophobicContact CB-CD1 3.87Å; H487-I490 HydrophobicContact CB-CG1 4.02Å; H487-I490 PolarHBondContact O-N 2.94Å; H487-Y543 HydrophobicContact CB-CD1 4.2Å; H487-Y543 HydrophobicContact CB-CE1 3.83Å; H487-Y543 AromaticContact CD2-CD1 3.66Å; H487-Y543 AromaticContact CD2-CE1 3.96Å; H487-Y543 AromaticContact CD2-CG 3.82Å; H487-Y543 AromaticContact CG-CD1 3.95Å
488	P	91.1	Very high	84.3	Confident	78 Å²	78	35.4 Å²	35.4	51%	0.506	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.7	-171	22.8	-35	0	0	0	113.4	R572	P488-R572 WeakPolarHBondContact O-CD 3.39Å; P488-R572 PolarHBondContact O-NE 3.24Å; P488-R572 PolarHBondContact O-NH1 3.25Å; P488-R572 PolarHBondContact O-NH2 2.98Å; P488-R572 VanDerWaalsContact O-NH2 3.14Å
489	N	95	Very high	84.1	Confident	6 Å²	6	39.3 Å²	39.3	3%	0.032	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	15.1	-179.7	-56.4	107.2	0	0	0	114.5	H487 T536 T540 E569 I571 R572 I573	H487-N489 PolarHBondContact ND1-N 2.99Å; H487-N489 VanDerWaalsContact ND1-N 3.13Å; H487-N489 PolarHBondContact O-N 3.36Å; N489-T536 WeakPolarHBondContact ND2-CG2 3.11Å; N489-T540 HydrophobicContact CB-CG2 4.01Å; N489-T540 WeakPolarHBondContact CB-OG1 3.36Å; N489-E569 PolarHBondContact ND2-O 3.34Å; N489-I571 WeakPolarHBondContact CA-O 3.48Å; N489-I571 PolarHBondContact ND2-O 3.41Å; N489-R572 CarbonylContact O-C 3.55Å; N489-R572 WeakPolarHBondContact O-CA 3.48Å; N489-I573 PolarHBondContact O-N 3.3Å
490	I	94.4	Very high	84	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-110.1	141.6	171.7	-63.6	-179.5	0	0	0	107.8	L481 H487 T492 T540 Y543 L544 F576	L481-I490 HydrophobicContact CD2-CG2 4.13Å; H487-I490 HydrophobicContact CB-CB 4.29Å; H487-I490 HydrophobicContact CB-CD1 3.87Å; H487-I490 HydrophobicContact CB-CG1 4.02Å; H487-I490 PolarHBondContact O-N 2.94Å; I490-T492 PolarHBondContact O-N 3.34Å; I490-T540 HydrophobicContact CD1-CG2 4.27Å; I490-T540 HydrophobicContact CG1-CG2 3.69Å; I490-Y543 HydrophobicContact CD1-CD1 4.26Å; I490-Y543 HydrophobicContact CD1-CE1 4.23Å; I490-L544 HydrophobicContact CD1-CD1 4.35Å; I490-L544 HydrophobicContact CD1-CD2 3.67Å; I490-L544 HydrophobicContact CD1-CG 4.05Å; I490-F576 HydrophobicContact CD1-CZ 4.32Å; I490-F576 HydrophobicContact CG1-CZ 4.29Å; I490-F576 HydrophobicContact CG2-CE2 3.74Å; I490-F576 HydrophobicContact CG2-CZ 3.75Å
491	I	92.8	Very high	84	Confident	10 Å²	10	47.7 Å²	47.7	5%	0.051	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-58.9	134.1	177.5	-166.8	165.3	0	0	0	111.1	L481 T507 E508 I573 C574	L481-I491 HydrophobicContact CD1-CG2 4.46Å; L481-I491 HydrophobicContact CD2-CG2 3.64Å; I491-T507 HydrophobicContact CD1-CG2 4.02Å; I491-T507 HydrophobicContact CG1-CG2 4.17Å; I491-E508 HydrophobicContact CG1-CG 4Å; I491-I573 WeakPolarHBondContact CB-O 3.47Å; I491-I573 PolarHBondContact N-O 3.26Å; I491-C574 HydrophobicContact CB-CB 4.27Å; I491-C574 HydrophobicContact CD1-CB 3.87Å; I491-C574 HydrophobicContact CG2-CB 4.43Å; I491-C574 WeakPolarHBondContact CG2-O 3.43Å
492	T	89.3	Confident	84.1	Confident	39 Å²	39	50.5 Å²	50.5	24%	0.239	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-85.4	118.8	178.4	-47.1	0	0	0	0	111	I490 K494 T507 E508	I490-T492 PolarHBondContact O-N 3.34Å; T492-K494 HydrophobicContact CG2-CD 4.06Å; T492-T507 VanDerWaalsContact O-CA 3.3Å; T492-T507 WeakPolarHBondContact O-CA 3.18Å; T492-E508 WeakPolarHBondContact CB-OE1 3.41Å; T492-E508 PolarHBondContact N-OE1 2.98Å; T492-E508 PolarHBondContact O-N 3.44Å; T492-E508 PolarHBondContact OG1-OE1 2.95Å
493	L	87.8	Confident	84.5	Confident	19 Å²	19	49 Å²	49	10%	0.099	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	123.6	165.6	-173.7	65.9	0	0	0	109.6	I478 L481 L482 V496 M505 V506 T507	I478-L493 HydrophobicContact CG2-CD2 4.16Å; L481-L493 HydrophobicContact CB-CB 3.95Å; L481-L493 HydrophobicContact CB-CD2 4Å; L482-L493 HydrophobicContact CD2-CD2 3.82Å; L482-L493 HydrophobicContact CG-CD2 3.96Å; L493-V496 HydrophobicContact CD1-CG2 4.05Å; L493-V496 HydrophobicContact CD2-CG2 3.65Å; L493-V496 HydrophobicContact CG-CG2 4.04Å; L493-M505 HydrophobicContact CD1-CB 3.8Å; L493-M505 HydrophobicContact CD1-CE 4.11Å; L493-M505 HydrophobicContact CD1-CG 4.44Å; L493-M505 HydrophobicContact CD2-CE 4.44Å; L493-V506 WeakPolarHBondContact CD1-O 3.45Å; L493-T507 HydrophobicContact CD1-CG2 4.01Å
494	K	86.2	Confident	85.1	Confident	74 Å²	74	47.2 Å²	47.2	32%	0.322	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-50.5	-176.3	-61.4	-63.2	-179.5	-173.3	0	111.7	Y462 T492 V506	Y462-K494 HydrophobicContact CD1-CG 4.14Å; Y462-K494 HydrophobicContact CE1-CD 4.47Å; Y462-K494 HydrophobicContact CE1-CG 3.93Å; T492-K494 HydrophobicContact CG2-CD 4.06Å; K494-V506 WeakPolarHBondContact CA-O 3.23Å; K494-V506 HydrophobicContact CB-CG1 4.38Å; K494-V506 WeakPolarHBondContact CB-O 3.49Å; K494-V506 PolarHBondContact N-O 3.41Å
495	D	83.1	Confident	85.4	Confident	15 Å²	15	46.6 Å²	46.6	8%	0.08	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	155.3	179.9	-73.2	-68.2	0	0	0	111.5	R362 H426 Y436 Y497 V506	R362-D495 IonicContact NH1-OD1 2.66Å; H426-D495 IonicContact CD2-OD1 2.64Å; H426-D495 PolarHBondContact CD2-OD1 3.38Å; H426-D495 IonicContact CD2-OD2 2.78Å; H426-D495 IonicContact NE2-OD1 3.73Å; H426-D495 IonicContact NE2-OD2 3.69Å; H426-D495 PolarHBondContact NE2-OD2 2.83Å; Y436-D495 PolarHBondContact OH-OD2 3.44Å; D495-Y497 HydrophobicContact CB-CD2 4.49Å; D495-Y497 HydrophobicContact CB-CE2 3.76Å; D495-V506 HydrophobicContact CB-CB 4.08Å; D495-V506 HydrophobicContact CB-CG2 4.18Å; D495-V506 PolarHBondContact N-O 3.02Å; D495-V506 PolarHBondContact O-N 3.25Å
496	V	83.8	Confident	86	Confident	51 Å²	51	46.4 Å²	46.4	31%	0.309	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	130.5	173.7	-178.3	0	0	0	0	109.3	I478 L493 V503 F504	I478-V496 HydrophobicContact CD1-CG1 4.09Å; I478-V496 HydrophobicContact CG2-CG2 4.06Å; L493-V496 HydrophobicContact CD1-CG2 4.05Å; L493-V496 HydrophobicContact CD2-CG2 3.65Å; L493-V496 HydrophobicContact CG-CG2 4.04Å; V496-V503 HydrophobicContact CG1-CG1 3.81Å; V496-F504 WeakPolarHBondContact CA-O 3.44Å
497	Y	83	Confident	86.6	Confident	31 Å²	31	38.4 Å²	38.4	12%	0.122	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132	171.8	-56.2	-92.3	0	0	0	110	F432 Y436 D495 V503 F504 V506	F432-Y497 HydrophobicContact CB-CD1 4.27Å; F432-Y497 HydrophobicContact CB-CD2 3.87Å; F432-Y497 HydrophobicContact CB-CE2 4.44Å; F432-Y497 HydrophobicContact CB-CG 3.75Å; F432-Y497 AromaticContact CD2-CD2 3.68Å; F432-Y497 HydrophobicContact CD2-CD2 3.68Å; F432-Y497 AromaticContact CD2-CE2 3.98Å; F432-Y497 HydrophobicContact CD2-CE2 3.98Å; F432-Y497 HydrophobicContact CD2-CG 4.43Å; F432-Y497 HydrophobicContact CG-CD2 4.27Å; Y436-Y497 AromaticContact CD2-CE2 3.98Å; Y436-Y497 HydrophobicContact CD2-CE2 3.98Å; Y436-Y497 AromaticContact CE2-CE2 3.96Å; Y436-Y497 HydrophobicContact CE2-CE2 3.96Å; Y436-Y497 WeakPolarHBondContact CE2-OH 3.33Å; D495-Y497 HydrophobicContact CB-CD2 4.49Å; D495-Y497 HydrophobicContact CB-CE2 3.76Å; Y497-V503 CarbonylContact O-C 3.58Å; Y497-V503 WeakPolarHBondContact O-CA 3.47Å; Y497-F504 HydrophobicContact CD2-CB 4.47Å; Y497-F504 PolarHBondContact N-O 2.86Å; Y497-F504 PolarHBondContact O-N 3.44Å; Y497-V506 HydrophobicContact CD2-CG2 4.45Å; Y497-V506 HydrophobicContact CE2-CG2 4.22Å
498	D	79.8	Confident	86.7	Confident	76 Å²	76	38.6 Å²	38.6	41%	0.406	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.7	176.1	-173.8	-13.6	0	0	0	108.5	K469 G500 V503	K469-D498 IonicContact NZ-OD1 2.67Å; K469-D498 PolarHBondContact NZ-OD1 3.29Å; K469-D498 IonicContact NZ-OD2 2.6Å; K469-D498 PolarHBondContact NZ-OD2 3.09Å; D498-G500 WeakPolarHBondContact OD1-CA 3.38Å; D498-G500 PolarHBondContact OD1-N 3.06Å; D498-V503 HydrophobicContact CB-CG2 4.37Å
499	N	77	Confident	86.7	Confident	88 Å²	88	36.1 Å²	36.1	47%	0.471	19%	0.192	S	C	.	.			trans	-104	13.5	177.4	71.3	13.7	0	0	0	113	K501 Q502	N499-K501 VanDerWaalsContact C-N 3.29Å; N499-K501 PolarHBondContact O-N 3.11Å; N499-K501 PolarHBondContact OD1-N 2.88Å; N499-Q502 PolarHBondContact N-O 2.81Å; N499-Q502 PolarHBondContact OD1-N 2.79Å; N499-Q502 PolarHBondContact OD1-O 3.23Å
500	G	70.9	Confident	86.5	Confident	50 Å²	50	37.1 Å²	37.1	52%	0.515	20%	0.197	S	C	.	.	S	Bend	trans	89.7	-32.7	-177.2	0	0	0	0	0	113.9	D498	D498-G500 WeakPolarHBondContact OD1-CA 3.38Å; D498-G500 PolarHBondContact OD1-N 3.06Å
501	K	79.2	Confident	86.3	Confident	133 Å²	133	43.7 Å²	43.7	58%	0.578	22%	0.222	S	C	*	.	S	Bend	trans	-102.8	-41.4	179	-174.6	178.2	178.9	-179.7	0	112.6	K469 N499	K469-K501 WeakPolarHBondContact CB-O 3.31Å; K469-K501 PolarHBondContact N-O 3.15Å; N499-K501 VanDerWaalsContact C-N 3.29Å; N499-K501 PolarHBondContact O-N 3.11Å; N499-K501 PolarHBondContact OD1-N 2.88Å
502	Q	85.4	Confident	86	Confident	66 Å²	66	43.3 Å²	43.3	31%	0.308	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	146	-177.1	-66.7	179.4	-46.6	0	0	110.5	V466 I467 N499 F504	V466-Q502 HydrophobicContact CG1-CB 4.48Å; I467-Q502 CarbonylContact O-C 3.57Å; I467-Q502 WeakPolarHBondContact O-CA 3.42Å; N499-Q502 PolarHBondContact N-O 2.81Å; N499-Q502 PolarHBondContact OD1-N 2.79Å; N499-Q502 PolarHBondContact OD1-O 3.23Å; Q502-F504 HydrophobicContact CB-CE2 3.96Å; Q502-F504 HydrophobicContact CB-CZ 4.34Å
503	V	86.4	Confident	85.9	Confident	3 Å²	3	43 Å²	43	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.6	169.4	-175.1	0	0	0	0	109.4	V466 I467 K469 P474 I478 V496 Y497 D498 M505	V466-V503 WeakPolarHBondContact CA-O 3.48Å; I467-V503 PolarHBondContact N-O 3.26Å; I467-V503 PolarHBondContact O-N 3Å; K469-V503 HydrophobicContact CD-CG2 3.66Å; K469-V503 HydrophobicContact CG-CG2 3.69Å; P474-V503 HydrophobicContact CG-CB 3.89Å; P474-V503 HydrophobicContact CG-CG1 4.22Å; P474-V503 HydrophobicContact CG-CG2 3.68Å; I478-V503 HydrophobicContact CD1-CG1 3.89Å; V496-V503 HydrophobicContact CG1-CG1 3.81Å; Y497-V503 CarbonylContact O-C 3.58Å; Y497-V503 WeakPolarHBondContact O-CA 3.47Å; D498-V503 HydrophobicContact CB-CG2 4.37Å; V503-M505 HydrophobicContact CG1-CG 4.1Å
504	F	89.9	Confident	86	Confident	22 Å²	22	44.4 Å²	44.4	10%	0.096	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	111	176.5	-59.6	-102	0	0	0	108.3	F432 V464 K465 V466 V496 Y497 Q502	F432-F504 HydrophobicContact CB-CD1 4.43Å; F432-F504 HydrophobicContact CB-CD2 4.36Å; F432-F504 HydrophobicContact CB-CG 4.19Å; F432-F504 HydrophobicContact CD1-CD1 4.22Å; F432-F504 HydrophobicContact CD1-CE1 4.43Å; F432-F504 HydrophobicContact CD2-CB 3.8Å; F432-F504 AromaticContact CD2-CD1 4Å; F432-F504 HydrophobicContact CD2-CD1 4Å; F432-F504 HydrophobicContact CD2-CG 4.03Å; F432-F504 HydrophobicContact CE2-CB 4.43Å; F432-F504 HydrophobicContact CE2-CD1 4.36Å; F432-F504 HydrophobicContact CG-CB 4.29Å; F432-F504 AromaticContact CG-CD1 3.92Å; F432-F504 HydrophobicContact CG-CD1 3.92Å; F432-F504 HydrophobicContact CG-CE1 4.47Å; F432-F504 HydrophobicContact CG-CG 4.05Å; V464-F504 HydrophobicContact CG2-CB 3.86Å; V464-F504 HydrophobicContact CG2-CD1 4.17Å; K465-F504 WeakPolarHBondContact O-CA 3.5Å; V466-F504 HydrophobicContact CB-CD1 4.48Å; V466-F504 HydrophobicContact CB-CE1 4.49Å; V466-F504 HydrophobicContact CG1-CD1 4.16Å; V466-F504 HydrophobicContact CG1-CE1 3.81Å; V466-F504 HydrophobicContact CG1-CZ 4.16Å; V466-F504 HydrophobicContact CG2-CD1 3.76Å; V466-F504 HydrophobicContact CG2-CE1 3.89Å; V496-F504 WeakPolarHBondContact CA-O 3.44Å; Y497-F504 HydrophobicContact CD2-CB 4.47Å; Y497-F504 PolarHBondContact N-O 2.86Å; Y497-F504 PolarHBondContact O-N 3.44Å; Q502-F504 HydrophobicContact CB-CE2 3.96Å; Q502-F504 HydrophobicContact CB-CZ 4.34Å
505	M	90.8	Very high	86.1	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	106	177.6	-62.7	173.8	62.6	0	0	109	V464 K465 I467 P474 E477 I478 L481 L493 V503	V464-M505 CarbonylContact C-O 3.44Å; V464-M505 VanDerWaalsContact CA-O 3.3Å; V464-M505 WeakPolarHBondContact CA-O 3.42Å; K465-M505 HydrophobicContact CB-CB 4.31Å; K465-M505 PolarHBondContact N-O 3.18Å; K465-M505 PolarHBondContact O-N 3Å; I467-M505 HydrophobicContact CD1-SD 3.55Å; I467-M505 VanDerWaalsContact CD1-SD 3.55Å; P474-M505 HydrophobicContact CB-SD 4.29Å; E477-M505 HydrophobicContact CG-CE 3.97Å; I478-M505 HydrophobicContact CD1-CG 4.37Å; I478-M505 HydrophobicContact CD1-SD 4.2Å; I478-M505 HydrophobicContact CG1-CE 3.6Å; I478-M505 HydrophobicContact CG1-CG 4.08Å; I478-M505 HydrophobicContact CG1-SD 3.65Å; L481-M505 HydrophobicContact CD1-CE 3.69Å; L493-M505 HydrophobicContact CD1-CB 3.8Å; L493-M505 HydrophobicContact CD1-CE 4.11Å; L493-M505 HydrophobicContact CD1-CG 4.44Å; L493-M505 HydrophobicContact CD2-CE 4.44Å; V503-M505 HydrophobicContact CG1-CG 4.1Å
506	V	91.7	Very high	86.1	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	125.2	-180	-174.4	0	0	0	0	109.2	F432 Y436 Y462 A463 V464 L493 K494 D495 Y497	F432-V506 HydrophobicContact CD2-CG2 4.27Å; F432-V506 HydrophobicContact CE2-CG2 3.92Å; Y436-V506 HydrophobicContact CE1-CG1 3.78Å; Y436-V506 HydrophobicContact CE2-CG2 4.32Å; Y462-V506 HydrophobicContact CD1-CG1 4.35Å; Y462-V506 HydrophobicContact CG-CG1 3.99Å; A463-V506 CarbonylContact O-C 3.57Å; A463-V506 WeakPolarHBondContact O-CA 3.5Å; V464-V506 HydrophobicContact CB-CG2 4.35Å; V464-V506 HydrophobicContact CG2-CG2 4.12Å; L493-V506 WeakPolarHBondContact CD1-O 3.45Å; K494-V506 WeakPolarHBondContact CA-O 3.23Å; K494-V506 HydrophobicContact CB-CG1 4.38Å; K494-V506 WeakPolarHBondContact CB-O 3.49Å; K494-V506 PolarHBondContact N-O 3.41Å; D495-V506 HydrophobicContact CB-CB 4.08Å; D495-V506 HydrophobicContact CB-CG2 4.18Å; D495-V506 PolarHBondContact N-O 3.02Å; D495-V506 PolarHBondContact O-N 3.25Å; Y497-V506 HydrophobicContact CD2-CG2 4.45Å; Y497-V506 HydrophobicContact CE2-CG2 4.22Å
507	T	92.6	Very high	86.1	Confident	14 Å²	14	39.5 Å²	39.5	9%	0.086	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	166.9	-178.2	54.3	0	0	0	0	110.6	Y462 A463 I491 T492 L493	Y462-T507 WeakPolarHBondContact CB-O 3.3Å; Y462-T507 WeakPolarHBondContact CD1-O 3.29Å; A463-T507 PolarHBondContact N-O 2.7Å; A463-T507 PolarHBondContact O-N 2.62Å; A463-T507 PolarHBondContact O-OG1 3.26Å; I491-T507 HydrophobicContact CD1-CG2 4.02Å; I491-T507 HydrophobicContact CG1-CG2 4.17Å; T492-T507 VanDerWaalsContact O-CA 3.3Å; T492-T507 WeakPolarHBondContact O-CA 3.18Å; L493-T507 HydrophobicContact CD1-CG2 4.01Å
508	E	89.8	Confident	86.1	Confident	33 Å²	33	41.1 Å²	41.1	15%	0.154	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	142.7	168.1	47.5	177.9	149.6	0	0	112.1	I491 T492 M510 R572	I491-E508 HydrophobicContact CG1-CG 4Å; T492-E508 WeakPolarHBondContact CB-OE1 3.41Å; T492-E508 PolarHBondContact N-OE1 2.98Å; T492-E508 PolarHBondContact O-N 3.44Å; T492-E508 PolarHBondContact OG1-OE1 2.95Å; E508-M510 HydrophobicContact CB-CE 3.82Å; E508-M510 HydrophobicContact CG-CE 3.4Å; E508-M510 VanDerWaalsContact CG-CE 3.4Å; E508-R572 IonicContact OE1-NE 2.99Å
509	L	91.8	Very high	86.3	Confident	26 Å²	26	37.5 Å²	37.5	14%	0.136	19%	0.193	C	C	.	.			trans	-82.9	118.7	179.5	-178.3	63.1	0	0	0	110.6	I442 R452 E461 A463 R511	I442-L509 HydrophobicContact CD1-CD1 3.8Å; R452-L509 HydrophobicContact CG-CD2 4.19Å; E461-L509 HydrophobicContact CB-CD2 4Å; A463-L509 HydrophobicContact CB-CD1 4.07Å; L509-R511 HydrophobicContact CD2-CG 4.45Å; L509-R511 HydrophobicContact CG-CG 4.34Å; L509-R511 PolarHBondContact O-N 2.77Å
510	M	91.8	Very high	86.5	Confident	26 Å²	26	34 Å²	34	13%	0.128	17%	0.174	C	C	.	.			trans	-83.7	101.2	177.1	-57.5	-63.3	88.9	0	0	110.5	E508 L560 V562 R572	E508-M510 HydrophobicContact CB-CE 3.82Å; E508-M510 HydrophobicContact CG-CE 3.4Å; E508-M510 VanDerWaalsContact CG-CE 3.4Å; M510-L560 HydrophobicContact CB-CB 3.88Å; M510-L560 HydrophobicContact CB-CD1 3.8Å; M510-L560 HydrophobicContact CB-CG 4.49Å; M510-L560 HydrophobicContact CG-CB 3.9Å; M510-L560 HydrophobicContact CG-CD1 3.82Å; M510-L560 HydrophobicContact CG-CG 4.5Å; M510-V562 HydrophobicContact CE-CB 4.33Å; M510-V562 HydrophobicContact CE-CG1 4.32Å; M510-V562 HydrophobicContact CE-CG2 3.85Å; M510-V562 HydrophobicContact SD-CB 4.48Å; M510-V562 HydrophobicContact SD-CG2 3.89Å; M510-R572 HydrophobicContact CE-CG 4.44Å; M510-R572 HydrophobicContact SD-CB 3.85Å; M510-R572 HydrophobicContact SD-CG 3.65Å
511	R	90.3	Very high	86.9	Confident	140 Å²	140	38.7 Å²	38.7	53%	0.528	18%	0.18	S	C	.	.			trans	-87.6	-19.8	-179.1	-59.7	-174.3	-171.3	-85.2	-0.2	113.1	E461 L509 G513 V562	E461-R511 IonicContact OE2-CZ 3.4Å; E461-R511 IonicContact OE2-NH1 2.75Å; E461-R511 PolarHBondContact OE2-NH1 3.46Å; E461-R511 IonicContact OE2-NH2 3.69Å; E461-R511 PolarHBondContact OE2-NH2 3.13Å; L509-R511 HydrophobicContact CD2-CG 4.45Å; L509-R511 HydrophobicContact CG-CG 4.34Å; L509-R511 PolarHBondContact O-N 2.77Å; R511-G513 VanDerWaalsContact C-N 3.27Å; R511-G513 PolarHBondContact O-N 3.18Å; R511-V562 PolarHBondContact N-O 3.37Å
512	G	86	Confident	86.8	Confident	2 Å²	2	35.5 Å²	35.5	2%	0.021	17%	0.167	C	C	.	.	S	Bend	trans	-72	-18	-176.3	0	0	0	0	0	114.5	R518 Y561 V562 D563	G512-R518 PolarHBondContact O-NE 3.19Å; G512-R518 PolarHBondContact O-NH2 3.05Å; G512-R518 VanDerWaalsContact O-NH2 3.09Å; G512-Y561 WeakPolarHBondContact CA-O 3.39Å; G512-Y561 PolarHBondContact N-O 3.13Å; G512-V562 PolarHBondContact N-O 3.21Å; G512-D563 VanDerWaalsContact CA-C 3.45Å; G512-D563 WeakPolarHBondContact CA-O 3.45Å
513	G	87.6	Confident	86	Confident	32 Å²	32	40.8 Å²	40.8	33%	0.33	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	79.2	-175.4	179.9	0	0	0	0	0	113.6	R511 L560 Y561	R511-G513 VanDerWaalsContact C-N 3.27Å; R511-G513 PolarHBondContact O-N 3.18Å; G513-L560 WeakPolarHBondContact O-CA 3.48Å; G513-Y561 PolarHBondContact O-N 2.67Å
514	E	89.1	Confident	85.4	Confident	48 Å²	48	47.2 Å²	47.2	22%	0.224	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	141.8	-176.7	-66.1	176.5	-132.5	0	0	112.8	L516 D517 R518 S557 L560 K713	E514-L516 VanDerWaalsContact C-N 3.34Å; E514-L516 PolarHBondContact O-N 3.44Å; E514-D517 HydrophobicContact CB-CB 4.3Å; E514-D517 PolarHBondContact O-N 3.41Å; E514-R518 PolarHBondContact O-N 2.92Å; E514-S557 WeakPolarHBondContact OE2-CA 3.46Å; E514-L560 HydrophobicContact CB-CD2 4.11Å; E514-L560 HydrophobicContact CG-CD2 3.6Å; E514-K713 IonicContact OE1-NZ 3.52Å; E514-K713 PolarHBondContact OE1-NZ 3.1Å; E514-K713 WeakPolarHBondContact OE2-CE 3.49Å; E514-K713 IonicContact OE2-NZ 3.28Å; E514-K713 PolarHBondContact OE2-NZ 3.39Å
515	L	87.5	Confident	85.2	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-52.2	-51.4	-178.4	174.5	62.3	0	0	0	112.2	R518 I519 V533 I537 I559 Y561 I571 L621	L515-R518 WeakPolarHBondContact O-CB 3.49Å; L515-R518 PolarHBondContact O-N 3.37Å; L515-I519 HydrophobicContact CD1-CD1 3.69Å; L515-I519 HydrophobicContact CD1-CG1 4.27Å; L515-I519 HydrophobicContact CG-CD1 3.84Å; L515-I519 WeakPolarHBondContact O-CG1 3.42Å; L515-I519 PolarHBondContact O-N 2.8Å; L515-I519 VanDerWaalsContact O-N 3.09Å; L515-V533 HydrophobicContact CD1-CG1 3.84Å; L515-V533 HydrophobicContact CD2-CG1 3.97Å; L515-V533 HydrophobicContact CG-CG1 4.46Å; L515-I537 HydrophobicContact CD2-CD1 3.56Å; L515-I559 HydrophobicContact CB-CB 4.2Å; L515-I559 HydrophobicContact CB-CG2 4.07Å; L515-I559 WeakPolarHBondContact CB-O 3.36Å; L515-I559 HydrophobicContact CD2-CB 4.28Å; L515-I559 HydrophobicContact CD2-CD1 4.44Å; L515-I559 HydrophobicContact CD2-CG2 3.82Å; L515-I559 HydrophobicContact CG-CG2 4.49Å; L515-I559 PolarHBondContact N-O 2.88Å; L515-Y561 HydrophobicContact CD1-CD2 4.5Å; L515-Y561 HydrophobicContact CD1-CE2 3.48Å; L515-Y561 VanDerWaalsContact CD1-CE2 3.48Å; L515-Y561 VanDerWaalsContact CD1-OH 3.29Å; L515-Y561 WeakPolarHBondContact CD1-OH 3.35Å; L515-I571 HydrophobicContact CD1-CD1 4.04Å; L515-L621 HydrophobicContact CD2-CD1 4.14Å; L515-L621 HydrophobicContact CD2-CD2 3.9Å
516	L	83.8	Confident	85.3	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-69.3	-38.7	-174.7	-168.9	79.3	0	0	0	112	E514 R518 I519 L520 P556 T624 V712 M716	E514-L516 VanDerWaalsContact C-N 3.34Å; E514-L516 PolarHBondContact O-N 3.44Å; L516-R518 PolarHBondContact O-N 3.28Å; L516-I519 PolarHBondContact O-N 2.93Å; L516-L520 HydrophobicContact CD1-CD1 4.2Å; L516-L520 HydrophobicContact CD1-CG 4.18Å; L516-L520 HydrophobicContact CD2-CD1 3.74Å; L516-L520 HydrophobicContact CG-CD1 3.62Å; L516-L520 HydrophobicContact CG-CG 3.9Å; L516-L520 WeakPolarHBondContact O-CB 3.22Å; L516-L520 VanDerWaalsContact O-CG 3.31Å; L516-L520 WeakPolarHBondContact O-CG 3.47Å; L516-L520 PolarHBondContact O-N 3.42Å; L516-P556 HydrophobicContact CB-CB 3.85Å; L516-T624 HydrophobicContact CD1-CG2 3.98Å; L516-V712 HydrophobicContact CD2-CG1 4.31Å; L516-M716 HydrophobicContact CD1-CE 3.98Å; L516-M716 HydrophobicContact CD2-CE 3.08Å; L516-M716 HydrophobicContact CG-CE 4.06Å
517	D	84	Confident	85.4	Confident	37 Å²	37	46.4 Å²	46.4	20%	0.198	21%	0.214	C	C	.	.	H	α-helix	trans	-60.3	-33.4	177.8	-74.2	-11.6	0	0	0	111.3	E514 K521 K713	E514-D517 HydrophobicContact CB-CB 4.3Å; E514-D517 PolarHBondContact O-N 3.41Å; D517-K521 WeakPolarHBondContact O-CB 3.38Å; D517-K521 VanDerWaalsContact O-CD 3.25Å; D517-K521 WeakPolarHBondContact O-CD 3.33Å; D517-K521 WeakPolarHBondContact O-CG 3.3Å; D517-K521 PolarHBondContact O-N 3.07Å; D517-K713 VanDerWaalsContact CG-NZ 3.3Å; D517-K713 WeakPolarHBondContact OD1-CD 3.33Å; D517-K713 WeakPolarHBondContact OD1-CE 3.45Å; D517-K713 IonicContact OD1-NZ 3.1Å; D517-K713 PolarHBondContact OD1-NZ 3.18Å; D517-K713 VanDerWaalsContact OD1-NZ 3.07Å; D517-K713 IonicContact OD2-NZ 3.87Å; D517-K713 PolarHBondContact OD2-NZ 3.29Å
518	R	82.9	Confident	85.5	Confident	65 Å²	65	49.9 Å²	49.9	25%	0.245	23%	0.226	C	C	.	.	H	α-helix	trans	-70.8	-51	174.4	-75.7	-69.7	-165.4	172.5	-8.7	111.8	G512 E514 L515 L516 L520 K521 Q522 Y561 E564	G512-R518 PolarHBondContact O-NE 3.19Å; G512-R518 PolarHBondContact O-NH2 3.05Å; G512-R518 VanDerWaalsContact O-NH2 3.09Å; E514-R518 PolarHBondContact O-N 2.92Å; L515-R518 WeakPolarHBondContact O-CB 3.49Å; L515-R518 PolarHBondContact O-N 3.37Å; L516-R518 PolarHBondContact O-N 3.28Å; R518-L520 PolarHBondContact O-N 3.27Å; R518-K521 PolarHBondContact O-N 3.48Å; R518-Q522 WeakPolarHBondContact O-CG 3.33Å; R518-Q522 PolarHBondContact O-N 3.04Å; R518-Q522 VanDerWaalsContact O-N 3.08Å; R518-Y561 HydrophobicContact CB-CD2 4.22Å; R518-Y561 HydrophobicContact CB-CE2 3.87Å; R518-Y561 HydrophobicContact CG-CD2 3.82Å; R518-Y561 HydrophobicContact CG-CE2 4.01Å; R518-E564 PolarHBondContact NH1-O 2.73Å; R518-E564 VanDerWaalsContact NH2-CG 3.27Å
519	I	84.2	Confident	85.6	Confident	0 Å²	0	52 Å²	52	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.7	-48.4	-178.4	-69	172.7	0	0	0	110.5	L515 L516 K521 Q522 F525 V533 M625	L515-I519 HydrophobicContact CD1-CD1 3.69Å; L515-I519 HydrophobicContact CD1-CG1 4.27Å; L515-I519 HydrophobicContact CG-CD1 3.84Å; L515-I519 WeakPolarHBondContact O-CG1 3.42Å; L515-I519 PolarHBondContact O-N 2.8Å; L515-I519 VanDerWaalsContact O-N 3.09Å; L516-I519 PolarHBondContact O-N 2.93Å; I519-K521 PolarHBondContact O-N 3.39Å; I519-Q522 WeakPolarHBondContact O-CB 3.49Å; I519-Q522 PolarHBondContact O-N 3.4Å; I519-Q522 VanDerWaalsContact O-N 3.15Å; I519-F525 HydrophobicContact CB-CE2 4.37Å; I519-F525 HydrophobicContact CB-CZ 4.41Å; I519-F525 HydrophobicContact CD1-CE2 4.18Å; I519-F525 HydrophobicContact CD1-CZ 3.88Å; I519-F525 HydrophobicContact CG1-CD2 4.48Å; I519-F525 HydrophobicContact CG1-CE2 3.83Å; I519-F525 HydrophobicContact CG1-CZ 3.98Å; I519-F525 HydrophobicContact CG2-CD1 3.71Å; I519-F525 HydrophobicContact CG2-CD2 4Å; I519-F525 HydrophobicContact CG2-CE1 3.54Å; I519-F525 HydrophobicContact CG2-CE2 3.84Å; I519-F525 HydrophobicContact CG2-CG 3.91Å; I519-F525 HydrophobicContact CG2-CZ 3.59Å; I519-V533 HydrophobicContact CD1-CG1 4.41Å; I519-M625 HydrophobicContact CD1-CG 3.85Å; I519-M625 HydrophobicContact CD1-SD 3.49Å; I519-M625 WeakPolarHBondContact CD1-SD 3.37Å
520	L	80.6	Confident	85.7	Confident	13 Å²	13	50.7 Å²	50.7	7%	0.068	23%	0.229	C	C	.	.	H	α-helix	trans	-71	-16.2	-177.8	-60.8	179.8	0	0	0	113.7	L516 R518 H706 P709 V712	L516-L520 HydrophobicContact CD1-CD1 4.2Å; L516-L520 HydrophobicContact CD1-CG 4.18Å; L516-L520 HydrophobicContact CD2-CD1 3.74Å; L516-L520 HydrophobicContact CG-CD1 3.62Å; L516-L520 HydrophobicContact CG-CG 3.9Å; L516-L520 WeakPolarHBondContact O-CB 3.22Å; L516-L520 VanDerWaalsContact O-CG 3.31Å; L516-L520 WeakPolarHBondContact O-CG 3.47Å; L516-L520 PolarHBondContact O-N 3.42Å; R518-L520 PolarHBondContact O-N 3.27Å; L520-H706 HydrophobicContact CD2-CB 3.85Å; L520-H706 WeakPolarHBondContact CD2-CD2 3.4Å; L520-P709 HydrophobicContact CB-CB 3.98Å; L520-P709 HydrophobicContact CB-CG 3.89Å; L520-P709 HydrophobicContact CD1-CB 4.07Å; L520-V712 HydrophobicContact CD1-CB 3.87Å; L520-V712 HydrophobicContact CD1-CG1 3.91Å; L520-V712 HydrophobicContact CD1-CG2 4.36Å
521	K	79.6	Confident	85.9	Confident	150 Å²	150	49.5 Å²	49.5	65%	0.652	22%	0.223	S	C	*	.	H	α-helix	trans	-93.9	-13.3	174.1	-73.1	174.7	-170.4	169.9	0	113.1	D517 R518 I519 K523	D517-K521 WeakPolarHBondContact O-CB 3.38Å; D517-K521 VanDerWaalsContact O-CD 3.25Å; D517-K521 WeakPolarHBondContact O-CD 3.33Å; D517-K521 WeakPolarHBondContact O-CG 3.3Å; D517-K521 PolarHBondContact O-N 3.07Å; R518-K521 PolarHBondContact O-N 3.48Å; I519-K521 PolarHBondContact O-N 3.39Å; K521-K523 PolarHBondContact O-N 3.21Å
522	Q	77.2	Confident	86.1	Confident	65 Å²	65	44 Å²	44	30%	0.304	21%	0.208	S	C	.	.			trans	-67.7	129.4	178.5	-81.5	171.5	-16.2	0	0	109.5	R518 I519 F524	R518-Q522 WeakPolarHBondContact O-CG 3.33Å; R518-Q522 PolarHBondContact O-N 3.04Å; R518-Q522 VanDerWaalsContact O-N 3.08Å; I519-Q522 WeakPolarHBondContact O-CB 3.49Å; I519-Q522 PolarHBondContact O-N 3.4Å; I519-Q522 VanDerWaalsContact O-N 3.15Å; Q522-F524 PolarHBondContact O-N 3.06Å
523	K	67.6	Low	86.5	Confident	178 Å²	178	44.1 Å²	44.1	77%	0.774	21%	0.208	S	C	*	.	S	Bend	trans	-64.7	-32.6	176.7	-72.7	-172.4	177.4	-177.5	0	111.6	K521 Q703	K521-K523 PolarHBondContact O-N 3.21Å; K523-Q703 PolarHBondContact O-NE2 3.46Å
524	F	74.4	Confident	86.9	Confident	138 Å²	138	42.6 Å²	42.6	61%	0.605	19%	0.192	S	C	*	.			trans	-127.5	119	178.7	-60.6	-79.9	0	0	0	108	Q522 Q703	Q522-F524 PolarHBondContact O-N 3.06Å; F524-Q703 HydrophobicContact CD1-CB 4.36Å; F524-Q703 HydrophobicContact CD1-CG 4.12Å
525	F	86.8	Confident	87.3	Confident	3 Å²	3	42.5 Å²	42.5	1%	0.013	19%	0.192	C	C	.	.			trans	-141.3	129.7	172.7	-171.4	-102.7	0	0	0	108.7	I519 E529 A530 M625 L704 H706	I519-F525 HydrophobicContact CB-CE2 4.37Å; I519-F525 HydrophobicContact CB-CZ 4.41Å; I519-F525 HydrophobicContact CD1-CE2 4.18Å; I519-F525 HydrophobicContact CD1-CZ 3.88Å; I519-F525 HydrophobicContact CG1-CD2 4.48Å; I519-F525 HydrophobicContact CG1-CE2 3.83Å; I519-F525 HydrophobicContact CG1-CZ 3.98Å; I519-F525 HydrophobicContact CG2-CD1 3.71Å; I519-F525 HydrophobicContact CG2-CD2 4Å; I519-F525 HydrophobicContact CG2-CE1 3.54Å; I519-F525 HydrophobicContact CG2-CE2 3.84Å; I519-F525 HydrophobicContact CG2-CG 3.91Å; I519-F525 HydrophobicContact CG2-CZ 3.59Å; F525-E529 WeakPolarHBondContact CA-OE2 3.49Å; F525-E529 HydrophobicContact CD2-CB 3.79Å; F525-E529 HydrophobicContact CE2-CB 3.69Å; F525-E529 HydrophobicContact CZ-CB 4.39Å; F525-A530 HydrophobicContact CE1-CB 3.75Å; F525-A530 HydrophobicContact CZ-CB 3.87Å; F525-M625 HydrophobicContact CE1-CB 3.96Å; F525-M625 HydrophobicContact CE1-CG 4.37Å; F525-M625 HydrophobicContact CZ-CB 4.42Å; F525-M625 HydrophobicContact CZ-CG 4.41Å; F525-M625 HydrophobicContact CZ-SD 4.1Å; F525-L704 WeakPolarHBondContact O-CB 3.38Å; F525-L704 PolarHBondContact O-N 3.48Å; F525-H706 AromaticContact CD1-CE1 3.83Å; F525-H706 AromaticContact CD1-NE2 3.95Å
526	S	92.5	Very high	87.6	Confident	4 Å²	4	42.7 Å²	42.7	3%	0.028	19%	0.193	C	C	.	.			trans	-126.9	169.6	-168.1	61.7	0	0	0	0	112.2	R528 E529 A530 S702	S526-R528 PolarHBondContact O-N 2.88Å; S526-E529 WeakPolarHBondContact CB-OE2 3.35Å; S526-E529 PolarHBondContact N-OE2 3.46Å; S526-E529 PolarHBondContact O-N 3.34Å; S526-E529 PolarHBondContact OG-N 3.43Å; S526-E529 PolarHBondContact OG-OE2 2.93Å; S526-A530 PolarHBondContact O-N 2.91Å; S526-S702 WeakPolarHBondContact CB-O 3.19Å
527	E	94	Very high	88.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-56.4	-37.6	172.7	-77.6	-167.6	-116	0	0	112.3	E529 A530 S531 L626 V662 S663 W692 L699 L704	E527-E529 PolarHBondContact O-N 3.02Å; E527-A530 PolarHBondContact O-N 2.77Å; E527-S531 VanDerWaalsContact O-CB 3.25Å; E527-S531 WeakPolarHBondContact O-CB 3.14Å; E527-S531 PolarHBondContact O-N 3.33Å; E527-L626 HydrophobicContact CG-CD2 3.9Å; E527-V662 WeakPolarHBondContact OE1-CA 3.48Å; E527-S663 PolarHBondContact OE1-N 2.9Å; E527-S663 WeakPolarHBondContact OE2-CB 3.18Å; E527-S663 PolarHBondContact OE2-OG 3.43Å; E527-W692 HydrophobicContact CB-CZ2 4.26Å; E527-W692 WeakPolarHBondContact O-CZ2 3.36Å; E527-W692 PolarHBondContact OE2-NE1 3.4Å; E527-L699 HydrophobicContact CB-CB 4.38Å; E527-L704 HydrophobicContact CG-CD1 4.47Å
528	R	93.6	Very high	88.9	Confident	86 Å²	86	41 Å²	41	33%	0.325	18%	0.184	S	C	.	.	H	α-helix	trans	-60.6	-45.4	177.1	-176.8	176.7	-59.7	179.3	9.2	112	S526 S531 A532 D697 L699 P700 N701	S526-R528 PolarHBondContact O-N 2.88Å; R528-S531 PolarHBondContact O-N 3.23Å; R528-A532 PolarHBondContact O-N 3.16Å; R528-D697 VanDerWaalsContact CZ-O 3.26Å; R528-D697 PolarHBondContact NH2-O 3.12Å; R528-D697 VanDerWaalsContact NH2-O 3.16Å; R528-L699 HydrophobicContact CB-CB 4.19Å; R528-L699 PolarHBondContact NE-O 2.73Å; R528-L699 PolarHBondContact NH2-O 3.3Å; R528-P700 PolarHBondContact N-O 2.98Å; R528-N701 WeakPolarHBondContact CB-OD1 3.17Å; R528-N701 WeakPolarHBondContact CD-OD1 3.25Å; R528-N701 PolarHBondContact NE-OD1 2.6Å; R528-N701 PolarHBondContact NH1-ND2 3.16Å; R528-N701 PolarHBondContact NH2-OD1 3.33Å
529	E	92.1	Very high	89.5	Confident	77 Å²	77	43.1 Å²	43.1	36%	0.36	20%	0.195	S	C	.	.	H	α-helix	trans	-69.5	-42.1	179.4	-71	157.3	134.5	0	0	111.3	F525 S526 E527 S531 A532 V533	F525-E529 WeakPolarHBondContact CA-OE2 3.49Å; F525-E529 HydrophobicContact CD2-CB 3.79Å; F525-E529 HydrophobicContact CE2-CB 3.69Å; F525-E529 HydrophobicContact CZ-CB 4.39Å; S526-E529 WeakPolarHBondContact CB-OE2 3.35Å; S526-E529 PolarHBondContact N-OE2 3.46Å; S526-E529 PolarHBondContact O-N 3.34Å; S526-E529 PolarHBondContact OG-N 3.43Å; S526-E529 PolarHBondContact OG-OE2 2.93Å; E527-E529 PolarHBondContact O-N 3.02Å; E529-S531 VanDerWaalsContact C-N 3.29Å; E529-S531 PolarHBondContact O-N 2.89Å; E529-A532 PolarHBondContact O-N 2.7Å; E529-V533 WeakPolarHBondContact O-CG2 3.35Å; E529-V533 PolarHBondContact O-N 3.46Å
530	A	94	Very high	90.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.9	-41.9	172.8	0	0	0	0	0	111.9	F525 S526 E527 L534 M625 L626 W692	F525-A530 HydrophobicContact CE1-CB 3.75Å; F525-A530 HydrophobicContact CZ-CB 3.87Å; S526-A530 PolarHBondContact O-N 2.91Å; E527-A530 PolarHBondContact O-N 2.77Å; A530-L534 WeakPolarHBondContact O-CB 3.39Å; A530-L534 PolarHBondContact O-N 3.29Å; A530-M625 HydrophobicContact CB-CB 4.34Å; A530-M625 HydrophobicContact CB-CE 4.43Å; A530-L626 HydrophobicContact CB-CD2 3.95Å; A530-W692 HydrophobicContact CB-CH2 4.1Å
531	S	96.4	Very high	90.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67	-39.7	177.8	-172	0	0	0	0	112.3	E527 R528 E529 L534 H535 W692 R696	E527-S531 VanDerWaalsContact O-CB 3.25Å; E527-S531 WeakPolarHBondContact O-CB 3.14Å; E527-S531 PolarHBondContact O-N 3.33Å; R528-S531 PolarHBondContact O-N 3.23Å; E529-S531 VanDerWaalsContact C-N 3.29Å; E529-S531 PolarHBondContact O-N 2.89Å; S531-L534 PolarHBondContact O-N 2.95Å; S531-H535 WeakPolarHBondContact O-CB 3.2Å; S531-H535 PolarHBondContact O-N 2.99Å; S531-W692 VanDerWaalsContact CA-CH2 3.43Å; S531-W692 VanDerWaalsContact CA-CZ3 3.47Å; S531-W692 PolarHBondContact OG-O 2.98Å; S531-R696 VanDerWaalsContact OG-CB 3.24Å; S531-R696 WeakPolarHBondContact OG-CB 3.34Å
532	A	94.1	Very high	91.5	Very high	26 Å²	26	38 Å²	38	22%	0.215	17%	0.173	C	C	.	.	H	α-helix	trans	-64.4	-45.7	175.4	0	0	0	0	0	112.1	R528 E529 H535 T536 P568	R528-A532 PolarHBondContact O-N 3.16Å; E529-A532 PolarHBondContact O-N 2.7Å; A532-H535 PolarHBondContact O-N 3.47Å; A532-T536 PolarHBondContact O-N 2.98Å; A532-T536 PolarHBondContact O-OG1 3.3Å; A532-P568 HydrophobicContact CB-CG 4.09Å
533	V	94.2	Very high	92.3	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.024	17%	0.172	C	C	.	.	H	α-helix	trans	-60.1	-50.6	174.6	169.3	0	0	0	0	110.7	L515 I519 E529 H535 T536 I537 P568 I571 M625	L515-V533 HydrophobicContact CD1-CG1 3.84Å; L515-V533 HydrophobicContact CD2-CG1 3.97Å; L515-V533 HydrophobicContact CG-CG1 4.46Å; I519-V533 HydrophobicContact CD1-CG1 4.41Å; E529-V533 WeakPolarHBondContact O-CG2 3.35Å; E529-V533 PolarHBondContact O-N 3.46Å; V533-H535 VanDerWaalsContact C-N 3.32Å; V533-H535 PolarHBondContact O-N 2.82Å; V533-T536 PolarHBondContact O-N 3.3Å; V533-I537 HydrophobicContact CG1-CD1 3.7Å; V533-I537 WeakPolarHBondContact O-CG1 3.16Å; V533-I537 PolarHBondContact O-N 3.36Å; V533-I537 VanDerWaalsContact O-N 3.15Å; V533-P568 HydrophobicContact CG2-CG 4.13Å; V533-I571 HydrophobicContact CG1-CD1 4.1Å; V533-I571 HydrophobicContact CG2-CD1 4.49Å; V533-M625 HydrophobicContact CB-SD 4.28Å; V533-M625 HydrophobicContact CG1-CE 4.4Å; V533-M625 HydrophobicContact CG1-SD 3.84Å
534	L	96.3	Very high	93.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.3	-39.5	-178.5	-169.7	70.2	0	0	0	111.8	A530 S531 T536 I537 T538 L618 L622 M625 L669 M673 W692 I693	A530-L534 WeakPolarHBondContact O-CB 3.39Å; A530-L534 PolarHBondContact O-N 3.29Å; S531-L534 PolarHBondContact O-N 2.95Å; L534-T536 PolarHBondContact O-N 3.34Å; L534-I537 PolarHBondContact O-N 2.76Å; L534-T538 VanDerWaalsContact O-CB 3.22Å; L534-T538 WeakPolarHBondContact O-CB 3.36Å; L534-T538 PolarHBondContact O-N 3.07Å; L534-T538 PolarHBondContact O-OG1 2.98Å; L534-L618 HydrophobicContact CD1-CB 4.28Å; L534-L622 HydrophobicContact CD1-CB 4.34Å; L534-L622 HydrophobicContact CD2-CB 4.22Å; L534-L622 HydrophobicContact CD2-CD1 4.01Å; L534-L622 HydrophobicContact CD2-CD2 3.66Å; L534-L622 HydrophobicContact CD2-CG 4.15Å; L534-M625 HydrophobicContact CB-CE 4.33Å; L534-L669 HydrophobicContact CD2-CD2 4.11Å; L534-M673 HydrophobicContact CD2-SD 4.29Å; L534-W692 HydrophobicContact CD2-CZ3 4.05Å; L534-I693 HydrophobicContact CB-CD1 4.23Å; L534-I693 HydrophobicContact CD2-CD1 3.96Å; L534-I693 HydrophobicContact CG-CD1 4.32Å
535	H	96.7	Very high	94.1	Very high	45 Å²	45	24.2 Å²	24.2	21%	0.208	11%	0.111	C	C	.	.	H	α-helix	trans	-57.5	-48.7	176.2	170.8	-90	0	0	0	111.4	S531 A532 V533 T538 K539 I693	S531-H535 WeakPolarHBondContact O-CB 3.2Å; S531-H535 PolarHBondContact O-N 2.99Å; A532-H535 PolarHBondContact O-N 3.47Å; V533-H535 VanDerWaalsContact C-N 3.32Å; V533-H535 PolarHBondContact O-N 2.82Å; H535-T538 PolarHBondContact O-N 2.73Å; H535-K539 WeakPolarHBondContact O-CB 3.21Å; H535-K539 PolarHBondContact O-N 2.94Å; H535-I693 HydrophobicContact CB-CD1 4.45Å; H535-I693 HydrophobicContact CB-CG2 4.19Å
536	T	95.9	Very high	94.1	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.031	13%	0.133	C	C	.	.	H	α-helix	trans	-63.5	-44.4	-179.5	-59.3	0	0	0	0	112.1	N489 A532 V533 L534 T540 P568	N489-T536 WeakPolarHBondContact ND2-CG2 3.11Å; A532-T536 PolarHBondContact O-N 2.98Å; A532-T536 PolarHBondContact O-OG1 3.3Å; V533-T536 PolarHBondContact O-N 3.3Å; L534-T536 PolarHBondContact O-N 3.34Å; T536-T540 PolarHBondContact O-N 3.25Å; T536-T540 PolarHBondContact O-OG1 2.8Å; T536-P568 WeakPolarHBondContact CG2-O 3.49Å
537	I	96.1	Very high	93.5	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-66.4	-47	179.1	-57.3	164.3	0	0	0	110.2	L515 V533 L534 K539 T540 V541 I559 I571 I573 L618 L621	L515-I537 HydrophobicContact CD2-CD1 3.56Å; V533-I537 HydrophobicContact CG1-CD1 3.7Å; V533-I537 WeakPolarHBondContact O-CG1 3.16Å; V533-I537 PolarHBondContact O-N 3.36Å; V533-I537 VanDerWaalsContact O-N 3.15Å; L534-I537 PolarHBondContact O-N 2.76Å; I537-K539 VanDerWaalsContact C-N 3.34Å; I537-K539 PolarHBondContact O-N 2.94Å; I537-T540 WeakPolarHBondContact O-CB 3.42Å; I537-T540 PolarHBondContact O-N 2.88Å; I537-T540 VanDerWaalsContact O-N 3.13Å; I537-V541 HydrophobicContact CG2-CG2 4.46Å; I537-V541 WeakPolarHBondContact O-CG2 3.35Å; I537-V541 PolarHBondContact O-N 2.9Å; I537-I559 HydrophobicContact CD1-CD1 4.26Å; I537-I559 HydrophobicContact CD1-CG2 4.31Å; I537-I559 HydrophobicContact CG1-CG2 4.47Å; I537-I559 HydrophobicContact CG2-CD1 4.26Å; I537-I571 HydrophobicContact CG1-CD1 4.48Å; I537-I571 HydrophobicContact CG1-CG2 4.32Å; I537-I573 HydrophobicContact CG2-CD1 4.45Å; I537-L618 HydrophobicContact CB-CD2 4.35Å; I537-L618 HydrophobicContact CG2-CD2 3.41Å; I537-L618 VanDerWaalsContact CG2-CD2 3.41Å; I537-L621 HydrophobicContact CD1-CD2 3.75Å
538	T	97.1	Very high	92.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.2	-37.4	-179.1	-52.2	0	0	0	0	111.8	L534 H535 T540 V541 E542 A684 V687 L688	L534-T538 VanDerWaalsContact O-CB 3.22Å; L534-T538 WeakPolarHBondContact O-CB 3.36Å; L534-T538 PolarHBondContact O-N 3.07Å; L534-T538 PolarHBondContact O-OG1 2.98Å; H535-T538 PolarHBondContact O-N 2.73Å; T538-T540 VanDerWaalsContact C-N 3.27Å; T538-T540 PolarHBondContact O-N 2.9Å; T538-V541 PolarHBondContact O-N 3.31Å; T538-E542 WeakPolarHBondContact O-CB 3.38Å; T538-E542 PolarHBondContact O-N 3.11Å; T538-A684 HydrophobicContact CG2-CB 4.2Å; T538-V687 HydrophobicContact CG2-CB 3.84Å; T538-V687 HydrophobicContact CG2-CG1 3.68Å; T538-L688 HydrophobicContact CG2-CD2 3.98Å; T538-L688 HydrophobicContact CG2-CG 3.83Å
539	K	96.8	Very high	92.3	Very high	111 Å²	111	27.6 Å²	27.6	48%	0.483	14%	0.142	S	C	.	.	H	α-helix	trans	-61	-39	174.2	-175.6	-177.7	176.1	-170.3	0	111.5	H535 I537 Y543 L688	H535-K539 WeakPolarHBondContact O-CB 3.21Å; H535-K539 PolarHBondContact O-N 2.94Å; I537-K539 VanDerWaalsContact C-N 3.34Å; I537-K539 PolarHBondContact O-N 2.94Å; K539-Y543 PolarHBondContact O-N 3.46Å; K539-Y543 VanDerWaalsContact O-N 3.07Å; K539-L688 HydrophobicContact CB-CD2 4.23Å
540	T	96.1	Very high	92	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-69.2	-41.3	176.4	-50.6	0	0	0	0	111.7	N489 I490 T536 I537 T538 Y543 L544 I573	N489-T540 HydrophobicContact CB-CG2 4.01Å; N489-T540 WeakPolarHBondContact CB-OG1 3.36Å; I490-T540 HydrophobicContact CD1-CG2 4.27Å; I490-T540 HydrophobicContact CG1-CG2 3.69Å; T536-T540 PolarHBondContact O-N 3.25Å; T536-T540 PolarHBondContact O-OG1 2.8Å; I537-T540 WeakPolarHBondContact O-CB 3.42Å; I537-T540 PolarHBondContact O-N 2.88Å; I537-T540 VanDerWaalsContact O-N 3.13Å; T538-T540 VanDerWaalsContact C-N 3.27Å; T538-T540 PolarHBondContact O-N 2.9Å; T540-Y543 WeakPolarHBondContact O-CB 3.29Å; T540-Y543 PolarHBondContact O-N 3.27Å; T540-L544 PolarHBondContact O-N 2.98Å; T540-I573 HydrophobicContact CG2-CD1 3.7Å; T540-I573 HydrophobicContact CG2-CG1 4.4Å
541	V	95	Very high	91.6	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-67.1	-39.6	176.3	173.4	0	0	0	0	111.4	I537 T538 Y543 L544 H545 L554 I573 D614 L618 A684	I537-V541 HydrophobicContact CG2-CG2 4.46Å; I537-V541 WeakPolarHBondContact O-CG2 3.35Å; I537-V541 PolarHBondContact O-N 2.9Å; T538-V541 PolarHBondContact O-N 3.31Å; V541-Y543 VanDerWaalsContact C-N 3.34Å; V541-Y543 PolarHBondContact O-N 2.98Å; V541-L544 WeakPolarHBondContact O-CB 3.36Å; V541-L544 PolarHBondContact O-N 3.19Å; V541-H545 VanDerWaalsContact CG1-CE1 3.42Å; V541-H545 WeakPolarHBondContact CG1-CE1 3.41Å; V541-H545 WeakPolarHBondContact CG1-NE2 3.38Å; V541-H545 WeakPolarHBondContact O-CB 3.46Å; V541-H545 PolarHBondContact O-CD2 3.19Å; V541-H545 VanDerWaalsContact O-CG 3.3Å; V541-H545 PolarHBondContact O-N 3.19Å; V541-L554 HydrophobicContact CG1-CD1 4.48Å; V541-L554 HydrophobicContact CG2-CD1 3.6Å; V541-I573 HydrophobicContact CG2-CD1 4.28Å; V541-D614 HydrophobicContact CG1-CB 4.23Å; V541-L618 HydrophobicContact CB-CD1 4.43Å; V541-L618 HydrophobicContact CG2-CD1 4.23Å; V541-A684 HydrophobicContact CG1-CB 4.25Å
542	E	95.5	Very high	91	Very high	54 Å²	54	28.6 Å²	28.6	25%	0.252	14%	0.143	S	C	.	.	H	α-helix	trans	-63.1	-40.9	174.6	-167.6	-87.4	172	0	0	111.7	T538 L544 H545 S546 A684 K685 L688	T538-E542 WeakPolarHBondContact O-CB 3.38Å; T538-E542 PolarHBondContact O-N 3.11Å; E542-L544 PolarHBondContact O-N 2.75Å; E542-H545 PolarHBondContact O-N 3.32Å; E542-S546 VanDerWaalsContact O-CB 3.3Å; E542-S546 WeakPolarHBondContact O-CB 3.19Å; E542-S546 PolarHBondContact O-N 3.45Å; E542-A684 HydrophobicContact CB-CB 3.72Å; E542-A684 HydrophobicContact CG-CB 4.18Å; E542-K685 HydrophobicContact CG-CB 4.02Å; E542-L688 HydrophobicContact CB-CD1 3.75Å; E542-L688 HydrophobicContact CG-CD1 3.99Å
543	Y	93.7	Very high	90.5	Very high	69 Å²	69	28.5 Å²	28.5	27%	0.271	14%	0.139	S	C	.	.	H	α-helix	trans	-56.8	-50	171.7	169.4	-104.2	0	0	0	111.1	Y484 H487 I490 K539 T540 V541 S546 Q547	Y484-Y543 HydrophobicContact CD1-CE1 4.27Å; H487-Y543 HydrophobicContact CB-CD1 4.2Å; H487-Y543 HydrophobicContact CB-CE1 3.83Å; H487-Y543 AromaticContact CD2-CD1 3.66Å; H487-Y543 AromaticContact CD2-CE1 3.96Å; H487-Y543 AromaticContact CD2-CG 3.82Å; H487-Y543 AromaticContact CG-CD1 3.95Å; I490-Y543 HydrophobicContact CD1-CD1 4.26Å; I490-Y543 HydrophobicContact CD1-CE1 4.23Å; K539-Y543 PolarHBondContact O-N 3.46Å; K539-Y543 VanDerWaalsContact O-N 3.07Å; T540-Y543 WeakPolarHBondContact O-CB 3.29Å; T540-Y543 PolarHBondContact O-N 3.27Å; V541-Y543 VanDerWaalsContact C-N 3.34Å; V541-Y543 PolarHBondContact O-N 2.98Å; Y543-S546 PolarHBondContact O-N 3.36Å; Y543-S546 PolarHBondContact O-OG 2.92Å; Y543-Q547 HydrophobicContact CE2-CG 4.21Å; Y543-Q547 WeakPolarHBondContact O-CG 3.41Å; Y543-Q547 PolarHBondContact O-N 2.94Å
544	L	90.3	Very high	90	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-58.8	-50.3	176.8	-72.5	171.2	0	0	0	112.1	I490 T540 V541 E542 S546 Q547 G548 V549 F576	I490-L544 HydrophobicContact CD1-CD1 4.35Å; I490-L544 HydrophobicContact CD1-CD2 3.67Å; I490-L544 HydrophobicContact CD1-CG 4.05Å; T540-L544 PolarHBondContact O-N 2.98Å; V541-L544 WeakPolarHBondContact O-CB 3.36Å; V541-L544 PolarHBondContact O-N 3.19Å; E542-L544 PolarHBondContact O-N 2.75Å; L544-S546 VanDerWaalsContact C-N 3.3Å; L544-S546 PolarHBondContact O-N 2.61Å; L544-Q547 CarbonylContact O-C 3.55Å; L544-Q547 WeakPolarHBondContact O-CA 3.36Å; L544-Q547 PolarHBondContact O-N 3.14Å; L544-G548 PolarHBondContact O-N 3.01Å; L544-V549 CarbonylContact C-O 3.52Å; L544-V549 VanDerWaalsContact C-O 3.23Å; L544-V549 HydrophobicContact CB-CB 4.2Å; L544-V549 HydrophobicContact CD2-CB 4.05Å; L544-V549 HydrophobicContact CD2-CG1 4Å; L544-V549 PolarHBondContact O-N 2.72Å; L544-F576 HydrophobicContact CD1-CE1 3.78Å; L544-F576 HydrophobicContact CD1-CZ 4.01Å; L544-F576 HydrophobicContact CD2-CE1 4.03Å
545	H	89.2	Confident	89.3	Confident	21 Å²	21	30.5 Å²	30.5	10%	0.097	15%	0.147	C	C	.	.	H	α-helix	trans	-60.2	-38.6	178.7	-68.6	-177.9	0	0	0	111.6	V541 E542 Q547 G548 V549 D614	V541-H545 VanDerWaalsContact CG1-CE1 3.42Å; V541-H545 WeakPolarHBondContact CG1-CE1 3.41Å; V541-H545 WeakPolarHBondContact CG1-NE2 3.38Å; V541-H545 WeakPolarHBondContact O-CB 3.46Å; V541-H545 PolarHBondContact O-CD2 3.19Å; V541-H545 VanDerWaalsContact O-CG 3.3Å; V541-H545 PolarHBondContact O-N 3.19Å; E542-H545 PolarHBondContact O-N 3.32Å; H545-Q547 PolarHBondContact O-N 2.97Å; H545-G548 WeakPolarHBondContact O-CA 3.47Å; H545-G548 PolarHBondContact O-N 2.98Å; H545-V549 PolarHBondContact CD2-O 3.05Å; H545-V549 PolarHBondContact N-O 2.8Å; H545-D614 IonicContact CD2-OD2 2.75Å; H545-D614 IonicContact CE1-OD2 2.85Å; H545-D614 IonicContact NE2-OD2 3.22Å; H545-D614 PolarHBondContact NE2-OD2 3.11Å
546	S	86.1	Confident	88.5	Confident	69 Å²	69	28.7 Å²	28.7	48%	0.483	14%	0.139	S	C	.	.	H	α-helix	trans	-64.2	-26.8	175.7	82	0	0	0	0	113.4	E542 Y543 L544 G548	E542-S546 VanDerWaalsContact O-CB 3.3Å; E542-S546 WeakPolarHBondContact O-CB 3.19Å; E542-S546 PolarHBondContact O-N 3.45Å; Y543-S546 PolarHBondContact O-N 3.36Å; Y543-S546 PolarHBondContact O-OG 2.92Å; L544-S546 VanDerWaalsContact C-N 3.3Å; L544-S546 PolarHBondContact O-N 2.61Å; S546-G548 VanDerWaalsContact C-N 3.3Å
547	Q	80.9	Confident	87.8	Confident	76 Å²	76	30.4 Å²	30.4	36%	0.355	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	3.7	173	-59.3	-52.2	-58.5	0	0	112.2	Y484 Y543 L544 H545 Q581	Y484-Q547 HydrophobicContact CD1-CB 4.39Å; Y484-Q547 HydrophobicContact CD1-CG 4.17Å; Y484-Q547 HydrophobicContact CE1-CB 3.6Å; Y484-Q547 HydrophobicContact CE1-CG 3.66Å; Y543-Q547 HydrophobicContact CE2-CG 4.21Å; Y543-Q547 WeakPolarHBondContact O-CG 3.41Å; Y543-Q547 PolarHBondContact O-N 2.94Å; L544-Q547 CarbonylContact O-C 3.55Å; L544-Q547 WeakPolarHBondContact O-CA 3.36Å; L544-Q547 PolarHBondContact O-N 3.14Å; H545-Q547 PolarHBondContact O-N 2.97Å; Q547-Q581 PolarHBondContact O-NE2 3.23Å
548	G	78.9	Confident	87.4	Confident	18 Å²	18	31 Å²	31	19%	0.186	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	22.1	-176.3	0	0	0	0	0	113.6	L544 H545 S546 Q581 L582	L544-G548 PolarHBondContact O-N 3.01Å; H545-G548 WeakPolarHBondContact O-CA 3.47Å; H545-G548 PolarHBondContact O-N 2.98Å; S546-G548 VanDerWaalsContact C-N 3.3Å; G548-Q581 VanDerWaalsContact C-NE2 3.33Å; G548-Q581 CarbonylContact O-C 3.54Å; G548-Q581 PolarHBondContact O-NE2 2.84Å; G548-Q581 VanDerWaalsContact O-NE2 3.15Å; G548-L582 VanDerWaalsContact O-CA 3.3Å; G548-L582 WeakPolarHBondContact O-CA 3.24Å; G548-L582 WeakPolarHBondContact O-CB 3.26Å; G548-L582 PolarHBondContact O-N 2.77Å
549	V	83.6	Confident	87.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.9	175.4	179.3	0	0	0	0	109.7	I480 Y484 L544 H545 A579 K580	I480-V549 HydrophobicContact CD1-CG1 4.24Å; I480-V549 HydrophobicContact CG2-CG1 4.16Å; Y484-V549 HydrophobicContact CD2-CG2 3.93Å; Y484-V549 HydrophobicContact CE2-CG2 3.33Å; L544-V549 CarbonylContact C-O 3.52Å; L544-V549 VanDerWaalsContact C-O 3.23Å; L544-V549 HydrophobicContact CB-CB 4.2Å; L544-V549 HydrophobicContact CD2-CB 4.05Å; L544-V549 HydrophobicContact CD2-CG1 4Å; L544-V549 PolarHBondContact O-N 2.72Å; H545-V549 PolarHBondContact CD2-O 3.05Å; H545-V549 PolarHBondContact N-O 2.8Å; V549-A579 HydrophobicContact CG1-CB 4.47Å; V549-K580 WeakPolarHBondContact CA-O 3.22Å
550	V	84.7	Confident	86.9	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.1	170.8	-174.6	0	0	0	0	109.1	R552 A579 K580 L582 D610 E611 D614	V550-R552 HydrophobicContact CB-CG 4.13Å; V550-R552 HydrophobicContact CG1-CG 3.55Å; V550-A579 CarbonylContact O-C 3.54Å; V550-A579 VanDerWaalsContact O-CA 3.23Å; V550-A579 WeakPolarHBondContact O-CA 3.48Å; V550-K580 PolarHBondContact N-O 3.33Å; V550-K580 PolarHBondContact O-N 3.5Å; V550-L582 HydrophobicContact CG2-CD1 3.42Å; V550-L582 VanDerWaalsContact CG2-CD1 3.42Å; V550-L582 HydrophobicContact CG2-CD2 4.49Å; V550-L582 HydrophobicContact CG2-CG 3.83Å; V550-D610 VanDerWaalsContact CG1-C 3.5Å; V550-D610 HydrophobicContact CG1-CB 4.14Å; V550-D610 WeakPolarHBondContact CG1-O 3.48Å; V550-D610 HydrophobicContact CG2-CB 4.49Å; V550-E611 HydrophobicContact CG2-CG 3.64Å; V550-D614 VanDerWaalsContact CG1-OD2 3.22Å; V550-D614 WeakPolarHBondContact CG1-OD2 3.47Å
551	H	85.6	Confident	86.7	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.			trans	-80.2	-40	-175	-174.5	-54.8	0	0	0	112.7	D553 L554 I573 D575 F578 A579 D614	H551-D553 VanDerWaalsContact CE1-C 3.48Å; H551-D553 PolarHBondContact CE1-O 3.42Å; H551-D553 VanDerWaalsContact CE1-O 3.29Å; H551-D553 VanDerWaalsContact ND1-C 3.34Å; H551-D553 PolarHBondContact ND1-N 2.87Å; H551-D553 PolarHBondContact O-N 2.97Å; H551-L554 HydrophobicContact CB-CD1 4.48Å; H551-L554 HydrophobicContact CB-CD2 4.07Å; H551-L554 HydrophobicContact CB-CG 3.9Å; H551-L554 PolarHBondContact ND1-N 2.83Å; H551-I573 WeakPolarHBondContact CD2-CG2 3.3Å; H551-I573 WeakPolarHBondContact NE2-CG2 3.49Å; H551-D575 PolarHBondContact CE1-O 2.97Å; H551-D575 PolarHBondContact NE2-O 3.33Å; H551-D575 VanDerWaalsContact NE2-O 3.15Å; H551-F578 CarbonylContact O-C 3.58Å; H551-A579 WeakPolarHBondContact O-CA 3.45Å; H551-A579 PolarHBondContact O-N 3.5Å; H551-D614 PolarHBondContact N-OD2 3.24Å
552	R	83.8	Confident	86.4	Confident	99 Å²	99	29.1 Å²	29.1	37%	0.374	15%	0.151	S	C	.	.	S	Bend	trans	62.4	2.1	174.7	-53.8	-173.3	-62.5	170.8	5.9	117.1	V550 F578 D614	V550-R552 HydrophobicContact CB-CG 4.13Å; V550-R552 HydrophobicContact CG1-CG 3.55Å; R552-F578 PolarHBondContact NE-O 2.69Å; R552-F578 PolarHBondContact NH2-O 3.02Å; R552-D614 PolarHBondContact N-OD1 3.46Å
553	D	83.2	Confident	86.1	Confident	24 Å²	24	29.7 Å²	29.7	13%	0.128	16%	0.156	C	C	.	.			trans	-147.4	37.9	177.8	-168.5	35.7	0	0	0	110.2	H551 K555 N558 F578	H551-D553 VanDerWaalsContact CE1-C 3.48Å; H551-D553 PolarHBondContact CE1-O 3.42Å; H551-D553 VanDerWaalsContact CE1-O 3.29Å; H551-D553 VanDerWaalsContact ND1-C 3.34Å; H551-D553 PolarHBondContact ND1-N 2.87Å; H551-D553 PolarHBondContact O-N 2.97Å; D553-K555 PolarHBondContact O-N 3.45Å; D553-K555 VanDerWaalsContact O-N 3.15Å; D553-K555 IonicContact OD1-NZ 3.85Å; D553-K555 PolarHBondContact OD1-NZ 3.18Å; D553-K555 IonicContact OD2-NZ 3.28Å; D553-K555 PolarHBondContact OD2-NZ 3.13Å; D553-N558 PolarHBondContact O-ND2 3.14Å; D553-N558 PolarHBondContact OD2-ND2 2.87Å; D553-F578 HydrophobicContact CB-CB 3.86Å; D553-F578 HydrophobicContact CB-CD2 3.84Å; D553-F578 HydrophobicContact CB-CG 4.13Å; D553-F578 WeakPolarHBondContact OD2-CD2 3.36Å
554	L	83.8	Confident	85.7	Confident	2 Å²	2	33.2 Å²	33.2	1%	0.01	18%	0.175	C	C	.	.			trans	-67.2	113.7	169.4	-71.2	177.3	0	0	0	107.9	V541 H551 I573 D614 S617 L618 Y720	V541-L554 HydrophobicContact CG1-CD1 4.48Å; V541-L554 HydrophobicContact CG2-CD1 3.6Å; H551-L554 HydrophobicContact CB-CD1 4.48Å; H551-L554 HydrophobicContact CB-CD2 4.07Å; H551-L554 HydrophobicContact CB-CG 3.9Å; H551-L554 PolarHBondContact ND1-N 2.83Å; L554-I573 HydrophobicContact CD2-CD1 4.24Å; L554-I573 HydrophobicContact CD2-CG2 4.08Å; L554-D614 HydrophobicContact CD1-CB 3.64Å; L554-S617 WeakPolarHBondContact O-CB 3.1Å; L554-S617 PolarHBondContact O-OG 3.4Å; L554-L618 HydrophobicContact CD1-CD2 4.33Å; L554-L618 HydrophobicContact CD1-CG 4.35Å; L554-Y720 WeakPolarHBondContact O-CE1 3.49Å
555	K	82.8	Confident	85.4	Confident	43 Å²	43	37 Å²	37	19%	0.187	20%	0.201	C	C	.	.			trans	-149.2	159.1	173.7	61.4	179.9	179.5	-116.8	0	109	D553 S557 N558 Y720	D553-K555 PolarHBondContact O-N 3.45Å; D553-K555 VanDerWaalsContact O-N 3.15Å; D553-K555 IonicContact OD1-NZ 3.85Å; D553-K555 PolarHBondContact OD1-NZ 3.18Å; D553-K555 IonicContact OD2-NZ 3.28Å; D553-K555 PolarHBondContact OD2-NZ 3.13Å; K555-S557 WeakPolarHBondContact CD-OG 3.21Å; K555-S557 WeakPolarHBondContact CE-OG 3.07Å; K555-S557 WeakPolarHBondContact CG-OG 3.25Å; K555-S557 PolarHBondContact O-N 3.13Å; K555-S557 VanDerWaalsContact O-N 3.14Å; K555-N558 WeakPolarHBondContact CE-ND2 3.48Å; K555-N558 WeakPolarHBondContact CE-OD1 3.37Å; K555-N558 HydrophobicContact CG-CB 4.16Å; K555-N558 PolarHBondContact O-N 3Å; K555-Y720 HydrophobicContact CB-CD1 4.13Å; K555-Y720 HydrophobicContact CB-CD2 4.08Å; K555-Y720 HydrophobicContact CB-CE1 3.86Å; K555-Y720 HydrophobicContact CB-CE2 3.82Å; K555-Y720 HydrophobicContact CB-CG 4.26Å
556	P	80.1	Confident	84.8	Confident	7 Å²	7	36.7 Å²	36.7	5%	0.045	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-62.5	-27.9	-171.8	-26	36.9	0	0	0	114.6	L516 N558 I559 L621 M716	L516-P556 HydrophobicContact CB-CB 3.85Å; P556-N558 PolarHBondContact O-N 2.83Å; P556-I559 PolarHBondContact O-N 3.02Å; P556-L621 HydrophobicContact CG-CD1 4.05Å; P556-M716 HydrophobicContact CB-CE 4.38Å; P556-M716 HydrophobicContact CG-CE 3.61Å; P556-M716 HydrophobicContact CG-CG 4.49Å; P556-M716 HydrophobicContact CG-SD 3.71Å
557	S	80.9	Confident	84.8	Confident	42 Å²	42	37.3 Å²	37.3	29%	0.294	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-68.6	-17.7	175.2	65.2	0	0	0	0	113.8	E514 K555	E514-S557 WeakPolarHBondContact OE2-CA 3.46Å; K555-S557 WeakPolarHBondContact CD-OG 3.21Å; K555-S557 WeakPolarHBondContact CE-OG 3.07Å; K555-S557 WeakPolarHBondContact CG-OG 3.25Å; K555-S557 PolarHBondContact O-N 3.13Å; K555-S557 VanDerWaalsContact O-N 3.14Å
558	N	88.1	Confident	85	Confident	13 Å²	13	35 Å²	35	7%	0.07	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-98.7	3	-180	-66.8	-1.5	0	0	0	112.3	D553 K555 P556 C574 D575	D553-N558 PolarHBondContact O-ND2 3.14Å; D553-N558 PolarHBondContact OD2-ND2 2.87Å; K555-N558 WeakPolarHBondContact CE-ND2 3.48Å; K555-N558 WeakPolarHBondContact CE-OD1 3.37Å; K555-N558 HydrophobicContact CG-CB 4.16Å; K555-N558 PolarHBondContact O-N 3Å; P556-N558 PolarHBondContact O-N 2.83Å; N558-C574 PolarHBondContact O-N 3.49Å; N558-D575 HydrophobicContact CB-CB 4.1Å
559	I	91.5	Very high	85.5	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.015	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	109.6	179.4	-54.2	169.8	0	0	0	107.6	L515 I537 P556 I571 R572 L621	L515-I559 HydrophobicContact CB-CB 4.2Å; L515-I559 HydrophobicContact CB-CG2 4.07Å; L515-I559 WeakPolarHBondContact CB-O 3.36Å; L515-I559 HydrophobicContact CD2-CB 4.28Å; L515-I559 HydrophobicContact CD2-CD1 4.44Å; L515-I559 HydrophobicContact CD2-CG2 3.82Å; L515-I559 HydrophobicContact CG-CG2 4.49Å; L515-I559 PolarHBondContact N-O 2.88Å; I537-I559 HydrophobicContact CD1-CD1 4.26Å; I537-I559 HydrophobicContact CD1-CG2 4.31Å; I537-I559 HydrophobicContact CG1-CG2 4.47Å; I537-I559 HydrophobicContact CG2-CD1 4.26Å; P556-I559 PolarHBondContact O-N 3.02Å; I559-I571 HydrophobicContact CG2-CG2 3.42Å; I559-I571 VanDerWaalsContact CG2-CG2 3.42Å; I559-R572 WeakPolarHBondContact CA-O 3.3Å; I559-L621 HydrophobicContact CD1-CD2 4.18Å
560	L	92	Very high	85.8	Confident	37 Å²	37	39.8 Å²	39.8	19%	0.194	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	152	-170.5	-56	-178.3	0	0	0	111	M510 G513 E514 I571 R572 C574	M510-L560 HydrophobicContact CB-CB 3.88Å; M510-L560 HydrophobicContact CB-CD1 3.8Å; M510-L560 HydrophobicContact CB-CG 4.49Å; M510-L560 HydrophobicContact CG-CB 3.9Å; M510-L560 HydrophobicContact CG-CD1 3.82Å; M510-L560 HydrophobicContact CG-CG 4.5Å; G513-L560 WeakPolarHBondContact O-CA 3.48Å; E514-L560 HydrophobicContact CB-CD2 4.11Å; E514-L560 HydrophobicContact CG-CD2 3.6Å; L560-I571 CarbonylContact O-C 3.59Å; L560-I571 WeakPolarHBondContact O-CA 3.26Å; L560-R572 PolarHBondContact N-O 3.29Å; L560-R572 PolarHBondContact O-N 3.47Å; L560-C574 HydrophobicContact CD1-CB 4.36Å
561	Y	91.4	Very high	86.3	Confident	1 Å²	1	39.9 Å²	39.9	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	139.1	166.7	-73	-81.9	0	0	0	110.5	G512 G513 L515 R518 D563 N567 S570 I571	G512-Y561 WeakPolarHBondContact CA-O 3.39Å; G512-Y561 PolarHBondContact N-O 3.13Å; G513-Y561 PolarHBondContact O-N 2.67Å; L515-Y561 HydrophobicContact CD1-CD2 4.5Å; L515-Y561 HydrophobicContact CD1-CE2 3.48Å; L515-Y561 VanDerWaalsContact CD1-CE2 3.48Å; L515-Y561 VanDerWaalsContact CD1-OH 3.29Å; L515-Y561 WeakPolarHBondContact CD1-OH 3.35Å; R518-Y561 HydrophobicContact CB-CD2 4.22Å; R518-Y561 HydrophobicContact CB-CE2 3.87Å; R518-Y561 HydrophobicContact CG-CD2 3.82Å; R518-Y561 HydrophobicContact CG-CE2 4.01Å; Y561-D563 VanDerWaalsContact C-N 3.31Å; Y561-D563 WeakPolarHBondContact CB-O 3.31Å; Y561-N567 WeakPolarHBondContact CE1-O 3.47Å; Y561-S570 WeakPolarHBondContact CA-O 3.48Å; Y561-S570 WeakPolarHBondContact CD1-OG 3.42Å; Y561-I571 HydrophobicContact CD1-CG1 3.73Å; Y561-I571 HydrophobicContact CE1-CD1 3.94Å; Y561-I571 HydrophobicContact CE1-CG1 3.34Å; Y561-I571 HydrophobicContact CG-CG1 4.5Å
562	V	89.4	Confident	86.7	Confident	33 Å²	33	41.8 Å²	41.8	20%	0.2	22%	0.219	C	C	.	.	S	Bend	trans	-63.1	-41.9	172.5	177.5	0	0	0	0	110.5	M510 R511 G512 S570 R572	M510-V562 HydrophobicContact CE-CB 4.33Å; M510-V562 HydrophobicContact CE-CG1 4.32Å; M510-V562 HydrophobicContact CE-CG2 3.85Å; M510-V562 HydrophobicContact SD-CB 4.48Å; M510-V562 HydrophobicContact SD-CG2 3.89Å; R511-V562 PolarHBondContact N-O 3.37Å; G512-V562 PolarHBondContact N-O 3.21Å; V562-S570 WeakPolarHBondContact CG2-O 3.23Å; V562-S570 PolarHBondContact N-O 3.05Å; V562-R572 HydrophobicContact CG2-CG 3.52Å
563	D	88.5	Confident	87.2	Confident	66 Å²	66	37.1 Å²	37.1	35%	0.353	20%	0.202	S	C	.	.	S	Bend	trans	-135.9	176.6	-172	61.1	43.4	0	0	0	112.5	G512 Y561 S565 S570	G512-D563 VanDerWaalsContact CA-C 3.45Å; G512-D563 WeakPolarHBondContact CA-O 3.45Å; Y561-D563 VanDerWaalsContact C-N 3.31Å; Y561-D563 WeakPolarHBondContact CB-O 3.31Å; D563-S565 VanDerWaalsContact C-N 3.26Å; D563-S565 PolarHBondContact O-N 3.33Å; D563-S565 WeakPolarHBondContact OD1-CB 3.37Å; D563-S565 PolarHBondContact OD1-N 3.48Å; D563-S565 PolarHBondContact OD1-OG 2.98Å; D563-S570 PolarHBondContact OD1-OG 3.26Å
564	E	85.2	Confident	87.3	Confident	143 Å²	143	36.9 Å²	36.9	67%	0.668	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	4.3	-175.9	-49.2	-163.5	152.3	0	0	114.9	R518 G566	R518-E564 PolarHBondContact NH1-O 2.73Å; R518-E564 VanDerWaalsContact NH2-CG 3.27Å; E564-G566 PolarHBondContact O-N 3.4Å
565	S	84.3	Confident	87.4	Confident	80 Å²	80	38.7 Å²	38.7	56%	0.559	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-25.5	-175.2	68.9	0	0	0	0	113.2	D563 N567	D563-S565 VanDerWaalsContact C-N 3.26Å; D563-S565 PolarHBondContact O-N 3.33Å; D563-S565 WeakPolarHBondContact OD1-CB 3.37Å; D563-S565 PolarHBondContact OD1-N 3.48Å; D563-S565 PolarHBondContact OD1-OG 2.98Å; S565-N567 PolarHBondContact O-N 2.91Å; S565-N567 WeakPolarHBondContact OG-CB 3.49Å; S565-N567 PolarHBondContact OG-N 3.39Å
566	G	76.3	Confident	87.6	Confident	15 Å²	15	36.7 Å²	36.7	16%	0.155	20%	0.203	C	C	.	.			trans	67	13.5	-172.1	0	0	0	0	0	113.6	E564	E564-G566 PolarHBondContact O-N 3.4Å
567	N	86.3	Confident	87.6	Confident	81 Å²	81	38 Å²	38	43%	0.433	22%	0.218	S	C	.	.			trans	-72.2	127.3	176.5	-177.2	-13.5	0	0	0	109.9	Y561 S565 E569 S570	Y561-N567 WeakPolarHBondContact CE1-O 3.47Å; S565-N567 PolarHBondContact O-N 2.91Å; S565-N567 WeakPolarHBondContact OG-CB 3.49Å; S565-N567 PolarHBondContact OG-N 3.39Å; N567-E569 PolarHBondContact O-N 3.48Å; N567-E569 PolarHBondContact OD1-N 2.92Å; N567-S570 PolarHBondContact O-N 3.1Å; N567-S570 PolarHBondContact O-OG 2.93Å
568	P	85.7	Confident	87.4	Confident	27 Å²	27	40 Å²	40	18%	0.175	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-50.3	-32	175.2	-29.6	36.2	0	0	0	114.5	A532 V533 T536 S570 I571	A532-P568 HydrophobicContact CB-CG 4.09Å; V533-P568 HydrophobicContact CG2-CG 4.13Å; T536-P568 WeakPolarHBondContact CG2-O 3.49Å; P568-S570 PolarHBondContact O-N 2.89Å; P568-I571 HydrophobicContact CB-CD1 4.33Å; P568-I571 VanDerWaalsContact O-CB 3.26Å; P568-I571 WeakPolarHBondContact O-CB 3.18Å; P568-I571 VanDerWaalsContact O-CG1 3.24Å; P568-I571 WeakPolarHBondContact O-CG1 3.33Å; P568-I571 PolarHBondContact O-N 2.86Å; P568-I571 VanDerWaalsContact O-N 3.13Å
569	E	87.9	Confident	87	Confident	110 Å²	110	39.6 Å²	39.6	51%	0.514	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-66.7	-22.2	178	-62.3	-59.3	140.1	0	0	113.6	N489 N567 I571 R572	N489-E569 PolarHBondContact ND2-O 3.34Å; N567-E569 PolarHBondContact O-N 3.48Å; N567-E569 PolarHBondContact OD1-N 2.92Å; E569-I571 VanDerWaalsContact C-N 3.27Å; E569-I571 PolarHBondContact O-N 3.44Å; E569-R572 PolarHBondContact O-NH1 2.87Å; E569-R572 VanDerWaalsContact O-NH1 3.07Å
570	S	91.3	Very high	86.2	Confident	10 Å²	10	41.3 Å²	41.3	7%	0.07	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-86.4	7.3	174.8	74.1	0	0	0	0	113.3	Y561 V562 D563 N567 P568	Y561-S570 WeakPolarHBondContact CA-O 3.48Å; Y561-S570 WeakPolarHBondContact CD1-OG 3.42Å; V562-S570 WeakPolarHBondContact CG2-O 3.23Å; V562-S570 PolarHBondContact N-O 3.05Å; D563-S570 PolarHBondContact OD1-OG 3.26Å; N567-S570 PolarHBondContact O-N 3.1Å; N567-S570 PolarHBondContact O-OG 2.93Å; P568-S570 PolarHBondContact O-N 2.89Å
571	I	94.1	Very high	85.3	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	138.2	173.6	-65.9	172.4	0	0	0	110.7	N489 L515 V533 I537 I559 L560 Y561 P568 E569	N489-I571 WeakPolarHBondContact CA-O 3.48Å; N489-I571 PolarHBondContact ND2-O 3.41Å; L515-I571 HydrophobicContact CD1-CD1 4.04Å; V533-I571 HydrophobicContact CG1-CD1 4.1Å; V533-I571 HydrophobicContact CG2-CD1 4.49Å; I537-I571 HydrophobicContact CG1-CD1 4.48Å; I537-I571 HydrophobicContact CG1-CG2 4.32Å; I559-I571 HydrophobicContact CG2-CG2 3.42Å; I559-I571 VanDerWaalsContact CG2-CG2 3.42Å; L560-I571 CarbonylContact O-C 3.59Å; L560-I571 WeakPolarHBondContact O-CA 3.26Å; Y561-I571 HydrophobicContact CD1-CG1 3.73Å; Y561-I571 HydrophobicContact CE1-CD1 3.94Å; Y561-I571 HydrophobicContact CE1-CG1 3.34Å; Y561-I571 HydrophobicContact CG-CG1 4.5Å; P568-I571 HydrophobicContact CB-CD1 4.33Å; P568-I571 VanDerWaalsContact O-CB 3.26Å; P568-I571 WeakPolarHBondContact O-CB 3.18Å; P568-I571 VanDerWaalsContact O-CG1 3.24Å; P568-I571 WeakPolarHBondContact O-CG1 3.33Å; P568-I571 PolarHBondContact O-N 2.86Å; P568-I571 VanDerWaalsContact O-N 3.13Å; E569-I571 VanDerWaalsContact C-N 3.27Å; E569-I571 PolarHBondContact O-N 3.44Å
572	R	93.9	Very high	84.1	Confident	39 Å²	39	42.1 Å²	42.1	15%	0.147	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.3	169.5	-57.9	-66.4	177.1	-93.5	8.9	110.4	P488 N489 E508 M510 I559 L560 V562 E569	P488-R572 WeakPolarHBondContact O-CD 3.39Å; P488-R572 PolarHBondContact O-NE 3.24Å; P488-R572 PolarHBondContact O-NH1 3.25Å; P488-R572 PolarHBondContact O-NH2 2.98Å; P488-R572 VanDerWaalsContact O-NH2 3.14Å; N489-R572 CarbonylContact O-C 3.55Å; N489-R572 WeakPolarHBondContact O-CA 3.48Å; E508-R572 IonicContact OE1-NE 2.99Å; M510-R572 HydrophobicContact CE-CG 4.44Å; M510-R572 HydrophobicContact SD-CB 3.85Å; M510-R572 HydrophobicContact SD-CG 3.65Å; I559-R572 WeakPolarHBondContact CA-O 3.3Å; L560-R572 PolarHBondContact N-O 3.29Å; L560-R572 PolarHBondContact O-N 3.47Å; V562-R572 HydrophobicContact CG2-CG 3.52Å; E569-R572 PolarHBondContact O-NH1 2.87Å; E569-R572 VanDerWaalsContact O-NH1 3.07Å
573	I	94.4	Very high	82.3	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126	164.8	-57	-179.6	0	0	0	107.6	N489 I491 I537 T540 V541 H551 L554 F576	N489-I573 PolarHBondContact O-N 3.3Å; I491-I573 WeakPolarHBondContact CB-O 3.47Å; I491-I573 PolarHBondContact N-O 3.26Å; I537-I573 HydrophobicContact CG2-CD1 4.45Å; T540-I573 HydrophobicContact CG2-CD1 3.7Å; T540-I573 HydrophobicContact CG2-CG1 4.4Å; V541-I573 HydrophobicContact CG2-CD1 4.28Å; H551-I573 WeakPolarHBondContact CD2-CG2 3.3Å; H551-I573 WeakPolarHBondContact NE2-CG2 3.49Å; L554-I573 HydrophobicContact CD2-CD1 4.24Å; L554-I573 HydrophobicContact CD2-CG2 4.08Å; I573-F576 HydrophobicContact CB-CE2 4.3Å; I573-F576 HydrophobicContact CB-CZ 4.41Å; I573-F576 HydrophobicContact CG2-CE2 3.87Å; I573-F576 HydrophobicContact CG2-CZ 3.99Å; I573-F576 WeakPolarHBondContact O-CE2 3.47Å
574	C	86	Confident	80.3	Confident	20 Å²	20	44.1 Å²	44.1	14%	0.135	25%	0.248	C	C	.	.			trans	-117	-27.5	-160.8	-61.2	0	0	0	0	116.6	I491 N558 L560	I491-C574 HydrophobicContact CB-CB 4.27Å; I491-C574 HydrophobicContact CD1-CB 3.87Å; I491-C574 HydrophobicContact CG2-CB 4.43Å; I491-C574 WeakPolarHBondContact CG2-O 3.43Å; N558-C574 PolarHBondContact O-N 3.49Å; L560-C574 HydrophobicContact CD1-CB 4.36Å
575	D	85.4	Confident	78.3	Confident	39 Å²	39	45.1 Å²	45.1	21%	0.209	26%	0.258	C	S	.	.			trans	-115.1	96.4	-171.4	-168.8	7.4	0	0	0	112.1	K465 H551 N558 G577	K465-D575 IonicContact NZ-OD1 2.65Å; K465-D575 PolarHBondContact NZ-OD1 3.01Å; H551-D575 PolarHBondContact CE1-O 2.97Å; H551-D575 PolarHBondContact NE2-O 3.33Å; H551-D575 VanDerWaalsContact NE2-O 3.15Å; N558-D575 HydrophobicContact CB-CB 4.1Å; D575-G577 PolarHBondContact OD1-N 3.36Å
576	F	87.2	Confident	76.4	Confident	1 Å²	1	47 Å²	47	0%	0.004	26%	0.262	C	S	.	.			trans	-96.5	13.8	-178.9	-75.3	-102	0	0	0	112.4	E477 I480 L481 I490 L544 I573 F578 A579	E477-F576 HydrophobicContact CG-CB 3.86Å; I480-F576 HydrophobicContact CG2-CB 4.48Å; I480-F576 HydrophobicContact CG2-CD1 3.53Å; I480-F576 HydrophobicContact CG2-CE1 4.03Å; I480-F576 HydrophobicContact CG2-CG 4.22Å; L481-F576 HydrophobicContact CD2-CB 4.41Å; L481-F576 HydrophobicContact CD2-CD2 3.56Å; L481-F576 HydrophobicContact CD2-CE2 3.98Å; L481-F576 HydrophobicContact CD2-CG 4.06Å; L481-F576 HydrophobicContact CG-CB 4.41Å; L481-F576 HydrophobicContact CG-CD2 4.42Å; I490-F576 HydrophobicContact CD1-CZ 4.32Å; I490-F576 HydrophobicContact CG1-CZ 4.29Å; I490-F576 HydrophobicContact CG2-CE2 3.74Å; I490-F576 HydrophobicContact CG2-CZ 3.75Å; L544-F576 HydrophobicContact CD1-CE1 3.78Å; L544-F576 HydrophobicContact CD1-CZ 4.01Å; L544-F576 HydrophobicContact CD2-CE1 4.03Å; I573-F576 HydrophobicContact CB-CE2 4.3Å; I573-F576 HydrophobicContact CB-CZ 4.41Å; I573-F576 HydrophobicContact CG2-CE2 3.87Å; I573-F576 HydrophobicContact CG2-CZ 3.99Å; I573-F576 WeakPolarHBondContact O-CE2 3.47Å; F576-F578 PolarHBondContact O-N 3.28Å; F576-F578 VanDerWaalsContact O-N 3.11Å; F576-A579 HydrophobicContact CB-CB 3.9Å; F576-A579 HydrophobicContact CD1-CB 3.59Å; F576-A579 HydrophobicContact CG-CB 4.18Å; F576-A579 VanDerWaalsContact O-CB 3.3Å; F576-A579 WeakPolarHBondContact O-CB 3.2Å; F576-A579 PolarHBondContact O-N 3.26Å
577	G	79.8	Confident	74.7	Confident	35 Å²	35	46.4 Å²	46.4	36%	0.361	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.8	-177.7	0	0	0	0	0	114.5	E477 D575	E477-G577 VanDerWaalsContact CD-N 3.34Å; E477-G577 WeakPolarHBondContact OE2-CA 3.24Å; D575-G577 PolarHBondContact OD1-N 3.36Å
578	F	77.8	Confident	72.4	Confident	83 Å²	83	45.2 Å²	45.2	36%	0.364	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-1.7	173.4	-66.3	-81.8	0	0	0	113.3	H551 R552 D553 F576	H551-F578 CarbonylContact O-C 3.58Å; R552-F578 PolarHBondContact NE-O 2.69Å; R552-F578 PolarHBondContact NH2-O 3.02Å; D553-F578 HydrophobicContact CB-CB 3.86Å; D553-F578 HydrophobicContact CB-CD2 3.84Å; D553-F578 HydrophobicContact CB-CG 4.13Å; D553-F578 WeakPolarHBondContact OD2-CD2 3.36Å; F576-F578 PolarHBondContact O-N 3.28Å; F576-F578 VanDerWaalsContact O-N 3.11Å
579	A	78.6	Confident	70.2	Confident	6 Å²	6	45.4 Å²	45.4	5%	0.05	25%	0.248	C	C	.	.			trans	-66	152.9	180	0	0	0	0	0	110.7	I480 V549 V550 H551 F576	I480-A579 HydrophobicContact CD1-CB 3.64Å; V549-A579 HydrophobicContact CG1-CB 4.47Å; V550-A579 CarbonylContact O-C 3.54Å; V550-A579 VanDerWaalsContact O-CA 3.23Å; V550-A579 WeakPolarHBondContact O-CA 3.48Å; H551-A579 WeakPolarHBondContact O-CA 3.45Å; H551-A579 PolarHBondContact O-N 3.5Å; F576-A579 HydrophobicContact CB-CB 3.9Å; F576-A579 HydrophobicContact CD1-CB 3.59Å; F576-A579 HydrophobicContact CG-CB 4.18Å; F576-A579 VanDerWaalsContact O-CB 3.3Å; F576-A579 WeakPolarHBondContact O-CB 3.2Å; F576-A579 PolarHBondContact O-N 3.26Å
580	K	75.4	Confident	68.4	Low	38 Å²	38	43.1 Å²	43.1	17%	0.165	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	133.3	177.6	-169.2	163.5	-173.7	171.3	0	110.3	V549 V550 L582 L589 T591	V549-K580 WeakPolarHBondContact CA-O 3.22Å; V550-K580 PolarHBondContact N-O 3.33Å; V550-K580 PolarHBondContact O-N 3.5Å; K580-L582 PolarHBondContact O-N 2.74Å; K580-L589 HydrophobicContact CD-CD2 3.72Å; K580-L589 HydrophobicContact CG-CD2 4.46Å; K580-T591 PolarHBondContact NZ-OG1 3.15Å
581	Q	72.8	Confident	65.7	Low	40 Å²	40	46.4 Å²	46.4	19%	0.187	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	105.6	166.6	-175.2	69.8	72	0	0	108.9	E476 Y484 Q547 G548	E476-Q581 WeakPolarHBondContact OE1-CB 3.42Å; E476-Q581 PolarHBondContact OE1-N 2.95Å; Y484-Q581 VanDerWaalsContact CE2-OE1 3.32Å; Y484-Q581 PolarHBondContact OH-OE1 2.92Å; Q547-Q581 PolarHBondContact O-NE2 3.23Å; G548-Q581 VanDerWaalsContact C-NE2 3.33Å; G548-Q581 CarbonylContact O-C 3.54Å; G548-Q581 PolarHBondContact O-NE2 2.84Å; G548-Q581 VanDerWaalsContact O-NE2 3.15Å
582	L	64.9	Low	62.9	Low	15 Å²	15	49.8 Å²	49.8	8%	0.079	28%	0.279	C	S	.	.			trans	-66.7	141.1	162.8	-52.6	-175.7	0	0	0	109.3	G548 V550 K580 L589 E611	G548-L582 VanDerWaalsContact O-CA 3.3Å; G548-L582 WeakPolarHBondContact O-CA 3.24Å; G548-L582 WeakPolarHBondContact O-CB 3.26Å; G548-L582 PolarHBondContact O-N 2.77Å; V550-L582 HydrophobicContact CG2-CD1 3.42Å; V550-L582 VanDerWaalsContact CG2-CD1 3.42Å; V550-L582 HydrophobicContact CG2-CD2 4.49Å; V550-L582 HydrophobicContact CG2-CG 3.83Å; K580-L582 PolarHBondContact O-N 2.74Å; L582-L589 HydrophobicContact CD2-CD2 3.41Å; L582-L589 VanDerWaalsContact CD2-CD2 3.41Å; L582-L589 HydrophobicContact CD2-CG 4.05Å; L582-E611 HydrophobicContact CD1-CG 4.49Å
583	R	52.9	Low	60	Low	57 Å²	57	52.5 Å²	52.5	22%	0.215	30%	0.304	C	S	.	.			trans	-91.3	156.5	167.4	-72.5	-160.2	156.3	-175.3	5.4	110.5	E174 D181	E174-R583 VanDerWaalsContact CD-CZ 3.45Å; E174-R583 VanDerWaalsContact CD-NH1 3.33Å; E174-R583 VanDerWaalsContact CD-NH2 3.3Å; E174-R583 IonicContact OE1-CZ 3.63Å; E174-R583 IonicContact OE1-NH1 3.42Å; E174-R583 PolarHBondContact OE1-NH1 3.3Å; E174-R583 IonicContact OE1-NH2 3.57Å; E174-R583 PolarHBondContact OE1-NH2 2.82Å; E174-R583 IonicContact OE2-CZ 2.78Å; E174-R583 IonicContact OE2-NE 2.81Å; E174-R583 IonicContact OE2-NH1 2.83Å; E174-R583 PolarHBondContact OE2-NH1 3.32Å; E174-R583 IonicContact OE2-NH2 2.65Å; E174-R583 PolarHBondContact OE2-NH2 2.89Å; D181-R583 IonicContact OD2-CZ 3.79Å; D181-R583 IonicContact OD2-NH1 3.55Å; D181-R583 PolarHBondContact OD2-NH1 2.88Å
584	A	46.4	Very low	56.9	Low	84 Å²	84	62.6 Å²	62.6	69%	0.694	34%	0.343	S	S	*	.	S	Bend	trans	-41.5	160.9	-169.8	0	0	0	0	0	115.3	N586	A584-N586 PolarHBondContact O-N 2.99Å
585	N	43.6	Very low	54.3	Low	164 Å²	164	65.7 Å²	65.7	88%	0.877	36%	0.362	S	S	*	.	S	Bend	trans	-25.4	-7.3	-175.9	-59	-11.3	0	0	0	121.1
586	N	43.7	Very low	51.7	Low	121 Å²	121	65 Å²	65	65%	0.647	36%	0.361	S	S	*	.	S	Bend	trans	-97.5	17.6	-177.9	-60.5	19.7	0	0	0	113.3	A584 L588	A584-N586 PolarHBondContact O-N 2.99Å; N586-L588 PolarHBondContact O-N 3.43Å
587	G	40.8	Very low	49	Very low	1 Å²	1	68.3 Å²	68.3	1%	0.01	38%	0.379	C	S	.	.			trans	87.3	-5.5	150.8	0	0	0	0	0	119.2	Q607	G587-Q607 VanDerWaalsContact CA-OE1 3.22Å; G587-Q607 PolarHBondContact O-NE2 3.37Å
588	L	37.1	Very low	46.8	Very low	57 Å²	57	74.9 Å²	74.9	30%	0.298	40%	0.398	S	S	.	.			trans	-102.2	98.6	-169.4	-71.5	163.9	0	0	0	112.7	N586 M590 V599	N586-L588 PolarHBondContact O-N 3.43Å; L588-M590 HydrophobicContact CB-CG 4.09Å; L588-M590 HydrophobicContact CB-SD 4.18Å; L588-M590 HydrophobicContact CD2-SD 4.2Å; L588-M590 PolarHBondContact O-N 3.29Å; L588-M590 VanDerWaalsContact O-N 3.11Å; L588-V599 HydrophobicContact CD2-CB 4.04Å; L588-V599 HydrophobicContact CD2-CG1 3.55Å; L588-V599 HydrophobicContact CD2-CG2 3.55Å
589	L	39.8	Very low	44.9	Very low	30 Å²	30	74 Å²	74	16%	0.157	40%	0.399	C	S	.	.			trans	-69.1	89.7	158.3	-84.1	162.3	0	0	0	108.9	K580 L582 T591 Q607	K580-L589 HydrophobicContact CD-CD2 3.72Å; K580-L589 HydrophobicContact CG-CD2 4.46Å; L582-L589 HydrophobicContact CD2-CD2 3.41Å; L582-L589 VanDerWaalsContact CD2-CD2 3.41Å; L582-L589 HydrophobicContact CD2-CG 4.05Å; L589-T591 VanDerWaalsContact C-N 3.26Å; L589-T591 PolarHBondContact O-N 3.15Å; L589-Q607 HydrophobicContact CD1-CG 4.27Å; L589-Q607 HydrophobicContact CG-CG 4.46Å
590	M	49.9	Very low	42.8	Very low	63 Å²	63	75 Å²	75	31%	0.31	41%	0.407	S	S	.	.			trans	-83.1	69.1	-179.8	-68.5	-54.8	-56.7	0	0	112.7	M176 L588	M176-M590 HydrophobicContact CE-CE 3.22Å; M176-M590 HydrophobicContact CE-SD 3.73Å; M176-M590 HydrophobicContact CG-CE 3.94Å; M176-M590 HydrophobicContact SD-CE 4.02Å; L588-M590 HydrophobicContact CB-CG 4.09Å; L588-M590 HydrophobicContact CB-SD 4.18Å; L588-M590 HydrophobicContact CD2-SD 4.2Å; L588-M590 PolarHBondContact O-N 3.29Å; L588-M590 VanDerWaalsContact O-N 3.11Å
591	T	35	Very low	40.9	Very low	79 Å²	79	77.3 Å²	77.3	49%	0.485	43%	0.426	S	S	.	.			trans	-163.6	114.5	152.9	-2.6	0	0	0	0	106.4	K580 L589	K580-T591 PolarHBondContact NZ-OG1 3.15Å; L589-T591 VanDerWaalsContact C-N 3.26Å; L589-T591 PolarHBondContact O-N 3.15Å
592	P	36.1	Very low	39.3	Very low	72 Å²	72	80.4 Å²	80.4	47%	0.468	44%	0.441	S	S	.	.	S	Bend	cis	-140.6	170.8	22.8	40.7	-20.5	0	0	0	117.6	L732	P592-L732 HydrophobicContact CB-CD2 3.88Å; P592-L732 HydrophobicContact CG-CD2 4.06Å
593	C	32.3	Very low	38	Very low	97 Å²	97	81.6 Å²	81.6	66%	0.655	45%	0.448	S	S	*	.			trans	66	117.2	154	-60.3	0	0	0	0	121.9
594	Y	28.6	Very low	37.4	Very low	212 Å²	212	83.7 Å²	83.7	83%	0.831	46%	0.464	S	S	*	.	S	Bend	trans	48.6	109.7	159.9	-74.6	-88.1	0	0	0	119.2
595	T	31.8	Very low	37.3	Very low	86 Å²	86	85.6 Å²	85.6	53%	0.528	46%	0.456	S	S	.	.			trans	70.7	100.8	152.5	-32	0	0	0	0	116.3	N597 F598	T595-N597 HydrophobicContact CG2-CB 4.37Å; T595-N597 PolarHBondContact O-N 2.87Å; T595-F598 PolarHBondContact O-N 2.9Å
596	A	31.9	Very low	37.7	Very low	24 Å²	24	84.7 Å²	84.7	20%	0.198	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-60.7	-3.8	179.8	0	0	0	0	0	116.7	M176 F302 F598	M176-A596 HydrophobicContact CE-CB 3.67Å; F302-A596 HydrophobicContact CB-CB 4.19Å; F302-A596 HydrophobicContact CD1-CB 3.91Å; F302-A596 HydrophobicContact CD2-CB 3.85Å; F302-A596 HydrophobicContact CE1-CB 4.17Å; F302-A596 HydrophobicContact CE2-CB 4.12Å; F302-A596 HydrophobicContact CG-CB 3.73Å; F302-A596 HydrophobicContact CZ-CB 4.28Å; A596-F598 PolarHBondContact O-N 2.9Å; A596-F598 VanDerWaalsContact O-N 3.17Å
597	N	29.7	Very low	38.1	Very low	70 Å²	70	80.5 Å²	80.5	37%	0.374	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-69.2	-6.5	175.5	-74.4	-21.1	0	0	0	113.7	F302 T595	F302-N597 VanDerWaalsContact CB-OD1 3.22Å; F302-N597 WeakPolarHBondContact CB-OD1 3.49Å; F302-N597 VanDerWaalsContact CD1-OD1 3.31Å; F302-N597 WeakPolarHBondContact CD1-OD1 3.43Å; F302-N597 PolarHBondContact N-OD1 2.72Å; T595-N597 HydrophobicContact CG2-CB 4.37Å; T595-N597 PolarHBondContact O-N 2.87Å
598	F	34.2	Very low	38.8	Very low	174 Å²	174	81.7 Å²	81.7	76%	0.763	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-129	29.2	-175.5	-62.1	-78.3	0	0	0	113.5	T595 A596 A600	T595-F598 PolarHBondContact O-N 2.9Å; A596-F598 PolarHBondContact O-N 2.9Å; A596-F598 VanDerWaalsContact O-N 3.17Å; F598-A600 VanDerWaalsContact C-N 3.32Å; F598-A600 PolarHBondContact O-N 2.81Å
599	V	38	Very low	40	Very low	63 Å²	63	83.5 Å²	83.5	38%	0.382	43%	0.433	S	S	.	.			trans	-68	100.1	172.4	-179.3	0	0	0	0	107.8	L588 V603	L588-V599 HydrophobicContact CD2-CB 4.04Å; L588-V599 HydrophobicContact CD2-CG1 3.55Å; L588-V599 HydrophobicContact CD2-CG2 3.55Å; V599-V603 HydrophobicContact CG1-CB 3.81Å; V599-V603 HydrophobicContact CG1-CG1 4.03Å; V599-V603 HydrophobicContact CG1-CG2 4.07Å
600	A	33.8	Very low	41.5	Very low	27 Å²	27	83 Å²	83	22%	0.223	43%	0.431	C	S	.	.			trans	-77.5	148.7	-170.8	0	0	0	0	0	110	F598 E602 V603	F598-A600 VanDerWaalsContact C-N 3.32Å; F598-A600 PolarHBondContact O-N 2.81Å; A600-E602 HydrophobicContact CB-CG 4.01Å; A600-E602 WeakPolarHBondContact CB-OE1 3.3Å; A600-E602 WeakPolarHBondContact CB-OE2 3.37Å; A600-E602 PolarHBondContact O-N 2.93Å; A600-V603 WeakPolarHBondContact O-CB 3.36Å; A600-V603 PolarHBondContact O-N 3.25Å
601	P	35.2	Very low	43.1	Very low	88 Å²	88	82.9 Å²	82.9	57%	0.571	43%	0.429	S	S	*	.	H	α-helix	trans	-50.8	-25.4	-177.2	-26.2	33.1	0	0	0	113.8	V603 L604 K605	P601-V603 VanDerWaalsContact C-N 3.27Å; P601-V603 PolarHBondContact O-N 2.89Å; P601-L604 PolarHBondContact O-N 3.22Å; P601-K605 WeakPolarHBondContact O-CG 3.37Å; P601-K605 PolarHBondContact O-N 3.45Å
602	E	38.6	Very low	45.3	Very low	105 Å²	105	79.4 Å²	79.4	49%	0.491	41%	0.409	S	S	.	.	H	α-helix	trans	-62.2	-23.9	172.8	61.4	-93	-147.2	0	0	115	A600 K605 R606	A600-E602 HydrophobicContact CB-CG 4.01Å; A600-E602 WeakPolarHBondContact CB-OE1 3.3Å; A600-E602 WeakPolarHBondContact CB-OE2 3.37Å; A600-E602 PolarHBondContact O-N 2.93Å; E602-K605 CarbonylContact O-C 3.57Å; E602-K605 PolarHBondContact O-N 2.77Å; E602-R606 WeakPolarHBondContact O-CB 3.18Å; E602-R606 VanDerWaalsContact O-CG 3.32Å; E602-R606 WeakPolarHBondContact O-CG 3.41Å; E602-R606 PolarHBondContact O-N 2.73Å
603	V	37.9	Very low	47.6	Very low	39 Å²	39	77.4 Å²	77.4	24%	0.236	40%	0.396	C	S	.	.	H	α-helix	trans	-72.3	-39.1	174.9	-179.1	0	0	0	0	110.6	V599 A600 P601 R606 Q607	V599-V603 HydrophobicContact CG1-CB 3.81Å; V599-V603 HydrophobicContact CG1-CG1 4.03Å; V599-V603 HydrophobicContact CG1-CG2 4.07Å; A600-V603 WeakPolarHBondContact O-CB 3.36Å; A600-V603 PolarHBondContact O-N 3.25Å; P601-V603 VanDerWaalsContact C-N 3.27Å; P601-V603 PolarHBondContact O-N 2.89Å; V603-R606 WeakPolarHBondContact O-CB 3.46Å; V603-R606 PolarHBondContact O-N 3.17Å; V603-Q607 PolarHBondContact O-N 2.94Å
604	L	40.7	Very low	50.3	Low	102 Å²	102	72.8 Å²	72.8	53%	0.534	37%	0.365	S	S	.	.	H	α-helix	trans	-67.9	-40.4	170	-64.2	173.6	0	0	0	111.1	P601 R606 Q607	P601-L604 PolarHBondContact O-N 3.22Å; L604-R606 PolarHBondContact O-N 3.23Å; L604-Q607 PolarHBondContact O-N 3.37Å
605	K	45.5	Very low	53.3	Low	123 Å²	123	62.8 Å²	62.8	54%	0.535	33%	0.326	S	S	.	.	H	α-helix	trans	-61.2	-32.2	171.5	-64.6	172.5	-176.6	178.2	0	111.5	P601 E602 Y609	P601-K605 WeakPolarHBondContact O-CG 3.37Å; P601-K605 PolarHBondContact O-N 3.45Å; E602-K605 CarbonylContact O-C 3.57Å; E602-K605 PolarHBondContact O-N 2.77Å; K605-Y609 VanDerWaalsContact O-CB 3.25Å; K605-Y609 WeakPolarHBondContact O-CB 3.05Å; K605-Y609 PolarHBondContact O-N 3.23Å; K605-Y609 VanDerWaalsContact O-N 3.07Å
606	R	51.8	Low	56.1	Low	146 Å²	146	59.6 Å²	59.6	55%	0.551	30%	0.304	S	S	*	.	H	α-helix	trans	-68.1	-29	177.4	-87.6	-176	-176.7	-150.2	2.2	113.8	E602 V603 L604 Y609 D610	E602-R606 WeakPolarHBondContact O-CB 3.18Å; E602-R606 VanDerWaalsContact O-CG 3.32Å; E602-R606 WeakPolarHBondContact O-CG 3.41Å; E602-R606 PolarHBondContact O-N 2.73Å; V603-R606 WeakPolarHBondContact O-CB 3.46Å; V603-R606 PolarHBondContact O-N 3.17Å; L604-R606 PolarHBondContact O-N 3.23Å; R606-Y609 WeakPolarHBondContact O-CB 3.4Å; R606-Y609 PolarHBondContact O-N 3.04Å; R606-D610 WeakPolarHBondContact O-CB 3.4Å; R606-D610 PolarHBondContact O-N 3.24Å
607	Q	52.2	Low	58.8	Low	32 Å²	32	59.2 Å²	59.2	15%	0.15	30%	0.3	C	S	.	.	H	α-helix	trans	-67.7	-49	177.9	-70.3	-164.1	-20.9	0	0	112.6	G587 L589 V603 L604 Y609 D610 E611	G587-Q607 VanDerWaalsContact CA-OE1 3.22Å; G587-Q607 PolarHBondContact O-NE2 3.37Å; L589-Q607 HydrophobicContact CD1-CG 4.27Å; L589-Q607 HydrophobicContact CG-CG 4.46Å; V603-Q607 PolarHBondContact O-N 2.94Å; L604-Q607 PolarHBondContact O-N 3.37Å; Q607-Y609 PolarHBondContact O-N 3.34Å; Q607-D610 PolarHBondContact O-N 2.9Å; Q607-E611 PolarHBondContact O-N 2.7Å
608	G	53.8	Low	61.8	Low	27 Å²	27	56 Å²	56	28%	0.278	28%	0.283	S	S	.	.	H	α-helix	trans	-66	-28.4	172.5	0	0	0	0	0	112.7	G612	G608-G612 PolarHBondContact O-N 2.83Å
609	Y	62.3	Low	64.6	Low	95 Å²	95	47.7 Å²	47.7	37%	0.373	25%	0.247	S	C	.	.	H	α-helix	trans	-66.6	-42.6	171.6	178.6	-87.6	0	0	0	112.4	K605 R606 Q607 G612 C613 P678	K605-Y609 VanDerWaalsContact O-CB 3.25Å; K605-Y609 WeakPolarHBondContact O-CB 3.05Å; K605-Y609 PolarHBondContact O-N 3.23Å; K605-Y609 VanDerWaalsContact O-N 3.07Å; R606-Y609 WeakPolarHBondContact O-CB 3.4Å; R606-Y609 PolarHBondContact O-N 3.04Å; Q607-Y609 PolarHBondContact O-N 3.34Å; Y609-G612 CarbonylContact O-C 3.44Å; Y609-G612 PolarHBondContact O-N 3.39Å; Y609-C613 WeakPolarHBondContact CE1-SG 3.38Å; Y609-C613 PolarHBondContact O-N 2.83Å; Y609-C613 PolarHBondContact O-SG 2.94Å; Y609-P678 HydrophobicContact CD2-CG 3.74Å; Y609-P678 HydrophobicContact CE2-CG 4.42Å
610	D	72.1	Confident	67.1	Low	20 Å²	20	44.8 Å²	44.8	11%	0.107	23%	0.229	C	C	.	.	H	α-helix	trans	-66.8	-49.8	-177.7	-81.3	-7	0	0	0	110.9	V550 R606 Q607 G612 C613	V550-D610 VanDerWaalsContact CG1-C 3.5Å; V550-D610 HydrophobicContact CG1-CB 4.14Å; V550-D610 WeakPolarHBondContact CG1-O 3.48Å; V550-D610 HydrophobicContact CG2-CB 4.49Å; R606-D610 WeakPolarHBondContact O-CB 3.4Å; R606-D610 PolarHBondContact O-N 3.24Å; Q607-D610 PolarHBondContact O-N 2.9Å; D610-G612 VanDerWaalsContact C-N 3.27Å; D610-G612 PolarHBondContact O-N 3.41Å; D610-C613 VanDerWaalsContact O-CB 3.32Å; D610-C613 WeakPolarHBondContact O-CB 3.46Å; D610-C613 PolarHBondContact O-N 3.44Å; D610-C613 VanDerWaalsContact O-N 3.11Å
611	E	83.1	Confident	69.8	Low	60 Å²	60	43.6 Å²	43.6	28%	0.28	22%	0.219	S	C	.	.	H	α-helix	trans	-60.7	-40.3	171.9	-72.2	-176.8	177.3	0	0	111.4	V550 L582 Q607 C613 D614 I615	V550-E611 HydrophobicContact CG2-CG 3.64Å; L582-E611 HydrophobicContact CD1-CG 4.49Å; Q607-E611 PolarHBondContact O-N 2.7Å; E611-C613 VanDerWaalsContact C-N 3.25Å; E611-C613 PolarHBondContact O-N 2.89Å; E611-D614 PolarHBondContact O-N 2.87Å; E611-I615 PolarHBondContact O-N 3.03Å
612	G	82.8	Confident	72.7	Confident	6 Å²	6	39.4 Å²	39.4	6%	0.062	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-30.8	175	0	0	0	0	0	113.3	G608 Y609 D610 I615 W616 R681	G608-G612 PolarHBondContact O-N 2.83Å; Y609-G612 CarbonylContact O-C 3.44Å; Y609-G612 PolarHBondContact O-N 3.39Å; D610-G612 VanDerWaalsContact C-N 3.27Å; D610-G612 PolarHBondContact O-N 3.41Å; G612-I615 PolarHBondContact O-N 3.43Å; G612-W616 PolarHBondContact O-N 2.9Å; G612-R681 VanDerWaalsContact O-CD 3.3Å; G612-R681 WeakPolarHBondContact O-CD 3.01Å; G612-R681 PolarHBondContact O-NH1 3.17Å
613	C	83.6	Confident	75.2	Confident	29 Å²	29	34.5 Å²	34.5	20%	0.196	17%	0.169	C	C	.	.	H	α-helix	trans	-63.4	-43	176.4	-70.6	0	0	0	0	111.1	Y609 D610 E611 I615 W616 S617	Y609-C613 WeakPolarHBondContact CE1-SG 3.38Å; Y609-C613 PolarHBondContact O-N 2.83Å; Y609-C613 PolarHBondContact O-SG 2.94Å; D610-C613 VanDerWaalsContact O-CB 3.32Å; D610-C613 WeakPolarHBondContact O-CB 3.46Å; D610-C613 PolarHBondContact O-N 3.44Å; D610-C613 VanDerWaalsContact O-N 3.11Å; E611-C613 VanDerWaalsContact C-N 3.25Å; E611-C613 PolarHBondContact O-N 2.89Å; C613-I615 VanDerWaalsContact C-N 3.3Å; C613-I615 PolarHBondContact O-N 3.3Å; C613-W616 WeakPolarHBondContact O-CB 3.44Å; C613-W616 PolarHBondContact O-N 2.97Å; C613-S617 PolarHBondContact O-N 3.45Å; C613-S617 PolarHBondContact O-OG 3.48Å
614	D	87.8	Confident	77.7	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-60.7	-43.1	176.3	-74.6	-14.2	0	0	0	110.5	V541 H545 V550 H551 R552 L554 E611 W616 S617 L618	V541-D614 HydrophobicContact CG1-CB 4.23Å; H545-D614 IonicContact CD2-OD2 2.75Å; H545-D614 IonicContact CE1-OD2 2.85Å; H545-D614 IonicContact NE2-OD2 3.22Å; H545-D614 PolarHBondContact NE2-OD2 3.11Å; V550-D614 VanDerWaalsContact CG1-OD2 3.22Å; V550-D614 WeakPolarHBondContact CG1-OD2 3.47Å; H551-D614 PolarHBondContact N-OD2 3.24Å; R552-D614 PolarHBondContact N-OD1 3.46Å; L554-D614 HydrophobicContact CD1-CB 3.64Å; E611-D614 PolarHBondContact O-N 2.87Å; D614-W616 PolarHBondContact O-N 2.91Å; D614-S617 WeakPolarHBondContact O-CB 3.33Å; D614-S617 PolarHBondContact O-N 3.41Å; D614-L618 WeakPolarHBondContact O-CG 3.35Å; D614-L618 PolarHBondContact O-N 3.32Å
615	I	93.4	Very high	80.1	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-66.6	-38.4	177.8	-54.2	-57.9	0	0	0	112.2	E611 G612 C613 L618 G619 M673 R681 L682 A684 V687	E611-I615 PolarHBondContact O-N 3.03Å; G612-I615 PolarHBondContact O-N 3.43Å; C613-I615 VanDerWaalsContact C-N 3.3Å; C613-I615 PolarHBondContact O-N 3.3Å; I615-L618 HydrophobicContact CD1-CD1 4.42Å; I615-L618 PolarHBondContact O-N 3.03Å; I615-G619 PolarHBondContact O-N 3.48Å; I615-M673 HydrophobicContact CG2-CB 4.16Å; I615-M673 HydrophobicContact CG2-CE 4.07Å; I615-M673 HydrophobicContact CG2-CG 4.06Å; I615-R681 HydrophobicContact CB-CG 4.31Å; I615-R681 HydrophobicContact CG2-CG 3.95Å; I615-L682 WeakPolarHBondContact CG1-O 3.47Å; I615-L682 WeakPolarHBondContact CG2-O 3.2Å; I615-A684 HydrophobicContact CD1-CB 3.82Å; I615-V687 HydrophobicContact CG2-CG2 4.37Å
616	W	89.2	Confident	82.3	Confident	20 Å²	20	22 Å²	22	8%	0.076	11%	0.106	C	C	.	.	H	α-helix	trans	-59.9	-48.1	174.2	178.6	-83.4	0	0	0	111.1	G612 C613 D614 L618 G619 V620 F632 I647 L674	G612-W616 PolarHBondContact O-N 2.9Å; C613-W616 WeakPolarHBondContact O-CB 3.44Å; C613-W616 PolarHBondContact O-N 2.97Å; D614-W616 PolarHBondContact O-N 2.91Å; W616-L618 VanDerWaalsContact C-N 3.29Å; W616-L618 PolarHBondContact O-N 3.32Å; W616-G619 CarbonylContact O-C 3.56Å; W616-G619 WeakPolarHBondContact O-CA 3.48Å; W616-G619 PolarHBondContact O-N 3.35Å; W616-V620 PolarHBondContact O-N 3Å; W616-F632 AromaticContact CH2-CE2 4Å; W616-F632 HydrophobicContact CH2-CE2 4Å; W616-F632 AromaticContact CH2-CZ 3.71Å; W616-F632 HydrophobicContact CH2-CZ 3.71Å; W616-F632 HydrophobicContact CZ2-CD2 4.23Å; W616-F632 AromaticContact CZ2-CE2 3.33Å; W616-F632 HydrophobicContact CZ2-CE2 3.33Å; W616-F632 AromaticContact CZ2-CZ 3.55Å; W616-F632 HydrophobicContact CZ2-CZ 3.55Å; W616-I647 HydrophobicContact CH2-CG2 4.06Å; W616-I647 HydrophobicContact CZ2-CG1 4.37Å; W616-I647 HydrophobicContact CZ2-CG2 3.77Å; W616-L674 HydrophobicContact CD2-CD2 3.96Å; W616-L674 HydrophobicContact CE3-CD2 4.14Å; W616-L674 HydrophobicContact CG-CD2 4.38Å; W616-L674 HydrophobicContact CZ2-CD2 4.43Å; W616-L674 HydrophobicContact CZ3-CB 4.41Å; W616-L674 HydrophobicContact CZ3-CD2 4.48Å; W616-L674 WeakPolarHBondContact CZ3-O 3.41Å
617	S	89.2	Confident	84.1	Confident	16 Å²	16	15.2 Å²	15.2	11%	0.112	8%	0.082	C	C	.	.	H	α-helix	trans	-56.5	-42.7	175.2	-76.3	0	0	0	0	112.5	L554 C613 D614 G619 V620 L621	L554-S617 WeakPolarHBondContact O-CB 3.1Å; L554-S617 PolarHBondContact O-OG 3.4Å; C613-S617 PolarHBondContact O-N 3.45Å; C613-S617 PolarHBondContact O-OG 3.48Å; D614-S617 WeakPolarHBondContact O-CB 3.33Å; D614-S617 PolarHBondContact O-N 3.41Å; S617-G619 VanDerWaalsContact C-N 3.32Å; S617-G619 PolarHBondContact O-N 3.5Å; S617-V620 PolarHBondContact O-N 3.17Å; S617-L621 WeakPolarHBondContact O-CB 3.43Å; S617-L621 PolarHBondContact O-N 3.36Å
618	L	93.3	Very high	85.6	Confident	2 Å²	2	13.7 Å²	13.7	1%	0.01	8%	0.075	C	C	.	.	H	α-helix	trans	-65.3	-34.7	174.4	-65.2	-178.3	0	0	0	112.4	L534 I537 V541 L554 D614 I615 W616 L621 L622 M673	L534-L618 HydrophobicContact CD1-CB 4.28Å; I537-L618 HydrophobicContact CB-CD2 4.35Å; I537-L618 HydrophobicContact CG2-CD2 3.41Å; I537-L618 VanDerWaalsContact CG2-CD2 3.41Å; V541-L618 HydrophobicContact CB-CD1 4.43Å; V541-L618 HydrophobicContact CG2-CD1 4.23Å; L554-L618 HydrophobicContact CD1-CD2 4.33Å; L554-L618 HydrophobicContact CD1-CG 4.35Å; D614-L618 WeakPolarHBondContact O-CG 3.35Å; D614-L618 PolarHBondContact O-N 3.32Å; I615-L618 HydrophobicContact CD1-CD1 4.42Å; I615-L618 PolarHBondContact O-N 3.03Å; W616-L618 VanDerWaalsContact C-N 3.29Å; W616-L618 PolarHBondContact O-N 3.32Å; L618-L621 PolarHBondContact O-N 2.87Å; L618-L622 WeakPolarHBondContact O-CB 3.32Å; L618-L622 PolarHBondContact O-N 3.48Å; L618-M673 HydrophobicContact CB-CE 3.43Å; L618-M673 VanDerWaalsContact CB-CE 3.43Å
619	G	93.1	Very high	87.1	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65.6	-42.2	174.1	0	0	0	0	0	112.3	I615 W616 S617 L622 Y623	I615-G619 PolarHBondContact O-N 3.48Å; W616-G619 CarbonylContact O-C 3.56Å; W616-G619 WeakPolarHBondContact O-CA 3.48Å; W616-G619 PolarHBondContact O-N 3.35Å; S617-G619 VanDerWaalsContact C-N 3.32Å; S617-G619 PolarHBondContact O-N 3.5Å; G619-L622 PolarHBondContact O-N 3.49Å; G619-Y623 WeakPolarHBondContact O-CB 3.42Å; G619-Y623 PolarHBondContact O-N 3.32Å
620	V	90.1	Very high	88.2	Confident	1 Å²	1	11 Å²	11	1%	0.006	6%	0.058	C	C	.	.	H	α-helix	trans	-63.8	-43.4	174.9	173.3	0	0	0	0	110.3	W616 S617 T624 P631 F632 L674 M716	W616-V620 PolarHBondContact O-N 3Å; S617-V620 PolarHBondContact O-N 3.17Å; V620-T624 WeakPolarHBondContact O-CB 3.38Å; V620-T624 PolarHBondContact O-N 3.23Å; V620-T624 PolarHBondContact O-OG1 2.88Å; V620-P631 HydrophobicContact CB-CG 4.47Å; V620-P631 HydrophobicContact CG1-CG 4.22Å; V620-P631 HydrophobicContact CG2-CG 4.2Å; V620-F632 HydrophobicContact CG2-CE2 4.26Å; V620-L674 HydrophobicContact CG2-CD2 3.77Å; V620-M716 HydrophobicContact CG1-SD 4.27Å
621	L	91.1	Very high	88.9	Confident	3 Å²	3	10.7 Å²	10.7	2%	0.016	6%	0.057	C	C	.	.	H	α-helix	trans	-60.8	-48.6	174.7	173.7	64.4	0	0	0	111.2	L515 I537 P556 I559 S617 L618 T624 M625	L515-L621 HydrophobicContact CD2-CD1 4.14Å; L515-L621 HydrophobicContact CD2-CD2 3.9Å; I537-L621 HydrophobicContact CD1-CD2 3.75Å; P556-L621 HydrophobicContact CG-CD1 4.05Å; I559-L621 HydrophobicContact CD1-CD2 4.18Å; S617-L621 WeakPolarHBondContact O-CB 3.43Å; S617-L621 PolarHBondContact O-N 3.36Å; L618-L621 PolarHBondContact O-N 2.87Å; L621-T624 PolarHBondContact O-N 3.4Å; L621-M625 HydrophobicContact CD1-CG 4.18Å; L621-M625 HydrophobicContact CD1-SD 4.4Å; L621-M625 HydrophobicContact CG-CE 4.18Å; L621-M625 HydrophobicContact CG-SD 4.4Å; L621-M625 WeakPolarHBondContact O-CG 3.36Å; L621-M625 PolarHBondContact O-N 2.84Å
622	L	94.3	Very high	88.9	Confident	0 Å²	0	8 Å²	8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-59.9	-48.2	178.4	176.7	59.4	0	0	0	111.8	L534 L618 G619 T624 M625 L626 L669 V670 M673 W692	L534-L622 HydrophobicContact CD1-CB 4.34Å; L534-L622 HydrophobicContact CD2-CB 4.22Å; L534-L622 HydrophobicContact CD2-CD1 4.01Å; L534-L622 HydrophobicContact CD2-CD2 3.66Å; L534-L622 HydrophobicContact CD2-CG 4.15Å; L618-L622 WeakPolarHBondContact O-CB 3.32Å; L618-L622 PolarHBondContact O-N 3.48Å; G619-L622 PolarHBondContact O-N 3.49Å; L622-T624 VanDerWaalsContact C-N 3.26Å; L622-T624 PolarHBondContact O-N 2.71Å; L622-M625 HydrophobicContact CB-CE 4.47Å; L622-M625 HydrophobicContact CD1-CE 4.08Å; L622-M625 PolarHBondContact O-N 3.43Å; L622-L626 HydrophobicContact CD1-CD1 3.75Å; L622-L626 HydrophobicContact CD1-CG 3.99Å; L622-L626 HydrophobicContact CG-CD1 4.03Å; L622-L626 WeakPolarHBondContact O-CG 3.27Å; L622-L626 PolarHBondContact O-N 3.31Å; L622-L669 HydrophobicContact CD2-CD2 3.92Å; L622-L669 HydrophobicContact CD2-CG 4.03Å; L622-V670 HydrophobicContact CD2-CG2 3.43Å; L622-V670 VanDerWaalsContact CD2-CG2 3.43Å; L622-V670 HydrophobicContact CG-CG2 3.68Å; L622-M673 HydrophobicContact CD2-SD 4.13Å; L622-W692 HydrophobicContact CD1-CH2 3.5Å; L622-W692 VanDerWaalsContact CD1-CH2 3.5Å; L622-W692 HydrophobicContact CD1-CZ2 4.4Å; L622-W692 HydrophobicContact CD1-CZ3 3.75Å; L622-W692 HydrophobicContact CD2-CZ3 4.38Å
623	Y	93	Very high	88.7	Confident	2 Å²	2	7.8 Å²	7.8	1%	0.008	4%	0.042	C	C	.	.	H	α-helix	trans	-54	-48	175	-177.4	-74.6	0	0	0	110.2	G619 M625 L626 A627 F629 P631 F652 S653 L654 W659 V670 L674	G619-Y623 WeakPolarHBondContact O-CB 3.42Å; G619-Y623 PolarHBondContact O-N 3.32Å; Y623-M625 PolarHBondContact O-N 3.19Å; Y623-L626 PolarHBondContact O-N 3.28Å; Y623-A627 HydrophobicContact CD1-CB 3.82Å; Y623-A627 HydrophobicContact CE1-CB 3.44Å; Y623-A627 VanDerWaalsContact CE1-CB 3.44Å; Y623-A627 WeakPolarHBondContact O-CB 3.42Å; Y623-A627 PolarHBondContact O-N 3.45Å; Y623-F629 VanDerWaalsContact CD1-O 3.28Å; Y623-F629 WeakPolarHBondContact CD1-O 3.45Å; Y623-F629 AromaticContact CE1-CD2 3.99Å; Y623-F629 HydrophobicContact CE1-CD2 3.99Å; Y623-F629 AromaticContact CE1-CE2 3.83Å; Y623-F629 HydrophobicContact CE1-CE2 3.83Å; Y623-F629 HydrophobicContact CE1-CZ 4.38Å; Y623-F629 VanDerWaalsContact CE1-O 3.28Å; Y623-F629 WeakPolarHBondContact CE1-O 3.24Å; Y623-F629 AromaticContact CZ-CE2 3.89Å; Y623-F629 WeakPolarHBondContact OH-CE2 3.33Å; Y623-F629 WeakPolarHBondContact OH-CZ 3.44Å; Y623-P631 HydrophobicContact CD1-CB 3.72Å; Y623-P631 VanDerWaalsContact CD1-CD 3.44Å; Y623-P631 HydrophobicContact CD1-CG 3.97Å; Y623-P631 HydrophobicContact CD2-CB 3.78Å; Y623-P631 HydrophobicContact CD2-CG 4.48Å; Y623-P631 VanDerWaalsContact CE1-CA 3.48Å; Y623-P631 HydrophobicContact CE1-CB 3.92Å; Y623-P631 HydrophobicContact CE2-CB 3.98Å; Y623-P631 HydrophobicContact CG-CB 3.68Å; Y623-P631 HydrophobicContact CG-CG 3.94Å; Y623-F652 HydrophobicContact CD2-CD2 4.05Å; Y623-F652 HydrophobicContact CD2-CE2 4.43Å; Y623-F652 AromaticContact CE2-CD2 3.8Å; Y623-F652 HydrophobicContact CE2-CD2 3.8Å; Y623-S653 WeakPolarHBondContact CE2-O 3.4Å; Y623-S653 PolarHBondContact OH-O 3.03Å; Y623-S653 VanDerWaalsContact OH-O 3.1Å; Y623-L654 HydrophobicContact CD2-CD2 4.4Å; Y623-L654 HydrophobicContact CE2-CD2 4.18Å; Y623-W659 HydrophobicContact CD1-CZ2 4.4Å; Y623-W659 HydrophobicContact CD2-CH2 4.15Å; Y623-W659 AromaticContact CD2-CZ2 3.4Å; Y623-W659 HydrophobicContact CD2-CZ2 3.4Å; Y623-W659 VanDerWaalsContact CD2-CZ2 3.4Å; Y623-W659 HydrophobicContact CE1-CZ2 4.41Å; Y623-W659 AromaticContact CE2-CE2 3.75Å; Y623-W659 HydrophobicContact CE2-CH2 4.45Å; Y623-W659 AromaticContact CE2-CZ2 3.4Å; Y623-W659 HydrophobicContact CE2-CZ2 3.4Å; Y623-W659 VanDerWaalsContact CE2-CZ2 3.4Å; Y623-W659 AromaticContact CE2-NE1 3.66Å; Y623-W659 AromaticContact CG-CZ2 3.91Å; Y623-W659 HydrophobicContact CG-CZ2 3.91Å; Y623-W659 AromaticContact CZ-CZ2 3.93Å; Y623-W659 AromaticContact CZ-NE1 3.51Å; Y623-W659 PolarHBondContact OH-NE1 3.21Å; Y623-V670 HydrophobicContact CD2-CG1 3.95Å; Y623-L674 HydrophobicContact CD2-CD1 4.48Å
624	T	89.7	Confident	88.2	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-65.4	-39.3	-177.2	-53	0	0	0	0	112.2	L516 V620 L621 L622 L626 G628 F629 V712 M716	L516-T624 HydrophobicContact CD1-CG2 3.98Å; V620-T624 WeakPolarHBondContact O-CB 3.38Å; V620-T624 PolarHBondContact O-N 3.23Å; V620-T624 PolarHBondContact O-OG1 2.88Å; L621-T624 PolarHBondContact O-N 3.4Å; L622-T624 VanDerWaalsContact C-N 3.26Å; L622-T624 PolarHBondContact O-N 2.71Å; T624-L626 VanDerWaalsContact C-N 3.32Å; T624-L626 PolarHBondContact O-N 3.3Å; T624-G628 WeakPolarHBondContact O-CA 3.21Å; T624-G628 PolarHBondContact O-N 3.32Å; T624-F629 WeakPolarHBondContact CA-O 3.18Å; T624-V712 HydrophobicContact CG2-CG1 3.48Å; T624-V712 VanDerWaalsContact CG2-CG1 3.48Å; T624-M716 HydrophobicContact CG2-CE 3.89Å
625	M	90.9	Very high	87.6	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61	-39.9	175.1	-75.8	-167.6	-58.1	0	0	112.3	I519 F525 A530 V533 L534 L621 L622 Y623 H706	I519-M625 HydrophobicContact CD1-CG 3.85Å; I519-M625 HydrophobicContact CD1-SD 3.49Å; I519-M625 WeakPolarHBondContact CD1-SD 3.37Å; F525-M625 HydrophobicContact CE1-CB 3.96Å; F525-M625 HydrophobicContact CE1-CG 4.37Å; F525-M625 HydrophobicContact CZ-CB 4.42Å; F525-M625 HydrophobicContact CZ-CG 4.41Å; F525-M625 HydrophobicContact CZ-SD 4.1Å; A530-M625 HydrophobicContact CB-CB 4.34Å; A530-M625 HydrophobicContact CB-CE 4.43Å; V533-M625 HydrophobicContact CB-SD 4.28Å; V533-M625 HydrophobicContact CG1-CE 4.4Å; V533-M625 HydrophobicContact CG1-SD 3.84Å; L534-M625 HydrophobicContact CB-CE 4.33Å; L621-M625 HydrophobicContact CD1-CG 4.18Å; L621-M625 HydrophobicContact CD1-SD 4.4Å; L621-M625 HydrophobicContact CG-CE 4.18Å; L621-M625 HydrophobicContact CG-SD 4.4Å; L621-M625 WeakPolarHBondContact O-CG 3.36Å; L621-M625 PolarHBondContact O-N 2.84Å; L622-M625 HydrophobicContact CB-CE 4.47Å; L622-M625 HydrophobicContact CD1-CE 4.08Å; L622-M625 PolarHBondContact O-N 3.43Å; Y623-M625 PolarHBondContact O-N 3.19Å; M625-H706 PolarHBondContact O-NE2 2.91Å; M625-H706 VanDerWaalsContact O-NE2 3.11Å
626	L	91.9	Very high	86.6	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-83	-46.8	-177	-66.1	176.9	0	0	0	113.1	E527 A530 L622 Y623 T624 N658 W659 V662 A666 V670 W692 L704	E527-L626 HydrophobicContact CG-CD2 3.9Å; A530-L626 HydrophobicContact CB-CD2 3.95Å; L622-L626 HydrophobicContact CD1-CD1 3.75Å; L622-L626 HydrophobicContact CD1-CG 3.99Å; L622-L626 HydrophobicContact CG-CD1 4.03Å; L622-L626 WeakPolarHBondContact O-CG 3.27Å; L622-L626 PolarHBondContact O-N 3.31Å; Y623-L626 PolarHBondContact O-N 3.28Å; T624-L626 VanDerWaalsContact C-N 3.32Å; T624-L626 PolarHBondContact O-N 3.3Å; L626-N658 VanDerWaalsContact O-CB 3.3Å; L626-N658 WeakPolarHBondContact O-CB 3.47Å; L626-N658 PolarHBondContact O-ND2 3.13Å; L626-W659 HydrophobicContact CB-CH2 3.95Å; L626-W659 HydrophobicContact CB-CZ2 4.37Å; L626-W659 HydrophobicContact CB-CZ3 4.39Å; L626-W659 HydrophobicContact CD1-CH2 3.98Å; L626-W659 HydrophobicContact CD1-CZ3 4.14Å; L626-V662 HydrophobicContact CB-CG2 4.46Å; L626-V662 HydrophobicContact CD1-CG1 4.28Å; L626-A666 HydrophobicContact CD1-CB 3.89Å; L626-V670 HydrophobicContact CD1-CG2 4.19Å; L626-W692 HydrophobicContact CD1-CZ2 4.46Å; L626-W692 HydrophobicContact CD2-CZ2 4.21Å; L626-L704 HydrophobicContact CD2-CD1 3.88Å
627	A	89.1	Confident	86.2	Confident	5 Å²	5	23.6 Å²	23.6	4%	0.041	13%	0.127	C	C	.	.	H	α-helix	trans	-81.3	-28.7	-174.6	0	0	0	0	0	113	Y623 F629 N658 W659	Y623-A627 HydrophobicContact CD1-CB 3.82Å; Y623-A627 HydrophobicContact CE1-CB 3.44Å; Y623-A627 VanDerWaalsContact CE1-CB 3.44Å; Y623-A627 WeakPolarHBondContact O-CB 3.42Å; Y623-A627 PolarHBondContact O-N 3.45Å; A627-F629 VanDerWaalsContact C-N 3.27Å; A627-F629 HydrophobicContact CB-CD1 3.88Å; A627-F629 HydrophobicContact CB-CE1 3.67Å; A627-F629 HydrophobicContact CB-CE2 4.44Å; A627-F629 HydrophobicContact CB-CG 4.34Å; A627-F629 HydrophobicContact CB-CZ 3.97Å; A627-F629 WeakPolarHBondContact O-CD1 3.47Å; A627-F629 WeakPolarHBondContact O-CE1 3.37Å; A627-N658 PolarHBondContact O-ND2 3.07Å; A627-W659 HydrophobicContact CB-CZ2 3.86Å
628	G	84.9	Confident	85.6	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	75.2	13.2	-171.7	0	0	0	0	0	114.9	T624 V712	T624-G628 WeakPolarHBondContact O-CA 3.21Å; T624-G628 PolarHBondContact O-N 3.32Å; G628-V712 WeakPolarHBondContact O-CG2 3.14Å
629	F	84.8	Confident	85	Confident	62 Å²	62	27 Å²	27	27%	0.272	15%	0.147	S	C	.	.	S	Bend	trans	-151.7	167.6	172.3	59.2	-87.1	0	0	0	109.2	Y623 T624 A627	Y623-F629 VanDerWaalsContact CD1-O 3.28Å; Y623-F629 WeakPolarHBondContact CD1-O 3.45Å; Y623-F629 AromaticContact CE1-CD2 3.99Å; Y623-F629 HydrophobicContact CE1-CD2 3.99Å; Y623-F629 AromaticContact CE1-CE2 3.83Å; Y623-F629 HydrophobicContact CE1-CE2 3.83Å; Y623-F629 HydrophobicContact CE1-CZ 4.38Å; Y623-F629 VanDerWaalsContact CE1-O 3.28Å; Y623-F629 WeakPolarHBondContact CE1-O 3.24Å; Y623-F629 AromaticContact CZ-CE2 3.89Å; Y623-F629 WeakPolarHBondContact OH-CE2 3.33Å; Y623-F629 WeakPolarHBondContact OH-CZ 3.44Å; T624-F629 WeakPolarHBondContact CA-O 3.18Å; A627-F629 VanDerWaalsContact C-N 3.27Å; A627-F629 HydrophobicContact CB-CD1 3.88Å; A627-F629 HydrophobicContact CB-CE1 3.67Å; A627-F629 HydrophobicContact CB-CE2 4.44Å; A627-F629 HydrophobicContact CB-CG 4.34Å; A627-F629 HydrophobicContact CB-CZ 3.97Å; A627-F629 WeakPolarHBondContact O-CD1 3.47Å; A627-F629 WeakPolarHBondContact O-CE1 3.37Å
630	T	85.3	Confident	84.2	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.018	17%	0.165	C	C	.	.			trans	-84.4	153.3	-176.1	80.3	0	0	0	0	112.1	F632 A633 V712 A715 M716	T630-F632 PolarHBondContact O-N 3.49Å; T630-A633 WeakPolarHBondContact OG1-CB 3.42Å; T630-A633 PolarHBondContact OG1-N 3.24Å; T630-A633 PolarHBondContact OG1-O 3.45Å; T630-V712 HydrophobicContact CG2-CG1 4.48Å; T630-A715 HydrophobicContact CG2-CB 3.92Å; T630-M716 HydrophobicContact CG2-CB 3.82Å; T630-M716 HydrophobicContact CG2-SD 4.48Å
631	P	85.4	Confident	83.6	Confident	14 Å²	14	35.9 Å²	35.9	9%	0.091	20%	0.197	C	C	.	.	S	Bend	trans	-70.7	-26.8	-174.9	21.3	-28	0	0	0	114.8	V620 Y623 F652 L674	V620-P631 HydrophobicContact CB-CG 4.47Å; V620-P631 HydrophobicContact CG1-CG 4.22Å; V620-P631 HydrophobicContact CG2-CG 4.2Å; Y623-P631 HydrophobicContact CD1-CB 3.72Å; Y623-P631 VanDerWaalsContact CD1-CD 3.44Å; Y623-P631 HydrophobicContact CD1-CG 3.97Å; Y623-P631 HydrophobicContact CD2-CB 3.78Å; Y623-P631 HydrophobicContact CD2-CG 4.48Å; Y623-P631 VanDerWaalsContact CE1-CA 3.48Å; Y623-P631 HydrophobicContact CE1-CB 3.92Å; Y623-P631 HydrophobicContact CE2-CB 3.98Å; Y623-P631 HydrophobicContact CG-CB 3.68Å; Y623-P631 HydrophobicContact CG-CG 3.94Å; P631-F652 HydrophobicContact CB-CB 4.11Å; P631-F652 HydrophobicContact CB-CG 4.46Å; P631-L674 HydrophobicContact CB-CD1 4.27Å; P631-L674 HydrophobicContact CG-CD1 4.22Å
632	F	83.8	Confident	83	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.009	22%	0.216	C	C	.	.	S	Bend	trans	-122.8	-19.6	-169.2	-53.5	-66.2	0	0	0	114.3	W616 V620 T630 I643 R646 I647 F652 L674	W616-F632 AromaticContact CH2-CE2 4Å; W616-F632 HydrophobicContact CH2-CE2 4Å; W616-F632 AromaticContact CH2-CZ 3.71Å; W616-F632 HydrophobicContact CH2-CZ 3.71Å; W616-F632 HydrophobicContact CZ2-CD2 4.23Å; W616-F632 AromaticContact CZ2-CE2 3.33Å; W616-F632 HydrophobicContact CZ2-CE2 3.33Å; W616-F632 AromaticContact CZ2-CZ 3.55Å; W616-F632 HydrophobicContact CZ2-CZ 3.55Å; V620-F632 HydrophobicContact CG2-CE2 4.26Å; T630-F632 PolarHBondContact O-N 3.49Å; F632-I643 HydrophobicContact CB-CG2 4.31Å; F632-R646 HydrophobicContact CD1-CB 4.4Å; F632-R646 WeakPolarHBondContact O-CD 3.44Å; F632-R646 PolarHBondContact O-NH1 2.97Å; F632-I647 HydrophobicContact CB-CG1 3.9Å; F632-I647 HydrophobicContact CD1-CG1 3.97Å; F632-I647 HydrophobicContact CD2-CD1 4.39Å; F632-I647 HydrophobicContact CD2-CG1 3.74Å; F632-I647 HydrophobicContact CE1-CG1 4.46Å; F632-I647 HydrophobicContact CE2-CG1 4.28Å; F632-I647 HydrophobicContact CG-CD1 4.5Å; F632-I647 HydrophobicContact CG-CG1 3.58Å; F632-F652 HydrophobicContact CE1-CB 4.09Å; F632-F652 AromaticContact CE1-CD1 3.9Å; F632-F652 HydrophobicContact CE1-CD1 3.9Å; F632-F652 HydrophobicContact CE1-CG 4.39Å; F632-F652 HydrophobicContact CZ-CD1 4.02Å; F632-L674 HydrophobicContact CE2-CD2 4.38Å; F632-L674 HydrophobicContact CZ-CD1 4.45Å
633	A	78.4	Confident	82.1	Confident	3 Å²	3	39.9 Å²	39.9	3%	0.025	22%	0.216	C	C	.	.			trans	-111.1	129.3	175	0	0	0	0	0	110.8	T630 D638 I643 A715 T719	T630-A633 WeakPolarHBondContact OG1-CB 3.42Å; T630-A633 PolarHBondContact OG1-N 3.24Å; T630-A633 PolarHBondContact OG1-O 3.45Å; A633-D638 WeakPolarHBondContact CA-OD2 3.35Å; A633-I643 HydrophobicContact CB-CD1 4.09Å; A633-I643 HydrophobicContact CB-CG1 4.26Å; A633-A715 HydrophobicContact CB-CB 3.9Å; A633-A715 WeakPolarHBondContact CB-O 3.43Å; A633-T719 WeakPolarHBondContact CB-OG1 3.46Å
634	N	74.6	Confident	81.2	Confident	134 Å²	134	42.2 Å²	42.2	72%	0.717	23%	0.228	S	C	*	.	S	Bend	trans	-82.9	-18.2	175.6	-63.4	-34.7	0	0	0	111.8	D638 R646	N634-D638 PolarHBondContact N-OD2 2.97Å; N634-R646 PolarHBondContact ND2-NH2 3.29Å
635	G	74	Confident	80.5	Confident	13 Å²	13	46.1 Å²	46.1	13%	0.134	26%	0.256	C	S	.	.	S	Bend	trans	179.3	176.1	-179.9	0	0	0	0	0	112.7	E637 D638	G635-E637 PolarHBondContact O-N 3.43Å; G635-D638 PolarHBondContact O-N 2.95Å
636	P	73.5	Confident	79.9	Confident	61 Å²	61	49.2 Å²	49.2	40%	0.396	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.5	177.6	26.8	-33.8	0	0	0	114.2
637	E	78.9	Confident	79.2	Confident	174 Å²	174	50.2 Å²	50.2	81%	0.813	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-9.5	-178	-55.4	-57.9	149.7	0	0	113.6	G635 T639	G635-E637 PolarHBondContact O-N 3.43Å; E637-T639 PolarHBondContact O-N 3.15Å
638	D	78	Confident	78.3	Confident	29 Å²	29	52.7 Å²	52.7	16%	0.155	30%	0.298	C	S	.	.	S	Bend	trans	-62.5	135.2	176.6	-85.6	-31.1	0	0	0	110.5	A633 N634 G635 I643 R646	A633-D638 WeakPolarHBondContact CA-OD2 3.35Å; N634-D638 PolarHBondContact N-OD2 2.97Å; G635-D638 PolarHBondContact O-N 2.95Å; D638-I643 HydrophobicContact CB-CD1 3.92Å; D638-I643 HydrophobicContact CB-CG1 3.83Å; D638-R646 VanDerWaalsContact CG-NH1 3.31Å; D638-R646 IonicContact OD1-CZ 2.58Å; D638-R646 IonicContact OD1-NH1 3.21Å; D638-R646 IonicContact OD1-NH2 2.7Å; D638-R646 PolarHBondContact OD1-NH2 2.93Å; D638-R646 VanDerWaalsContact OD1-NH2 3.12Å; D638-R646 IonicContact OD2-CZ 2.72Å; D638-R646 IonicContact OD2-NH1 2.65Å; D638-R646 PolarHBondContact OD2-NH1 2.87Å; D638-R646 IonicContact OD2-NH2 2.72Å
639	T	81.3	Confident	77.9	Confident	62 Å²	62	55.5 Å²	55.5	38%	0.38	32%	0.318	S	S	.	.			trans	-74.6	151	177.9	67.2	0	0	0	0	111.2	E637 N641 E642 I643	E637-T639 PolarHBondContact O-N 3.15Å; T639-N641 PolarHBondContact O-N 2.93Å; T639-N641 VanDerWaalsContact O-N 3.14Å; T639-E642 WeakPolarHBondContact CB-OE2 3.25Å; T639-E642 PolarHBondContact N-OE2 3.39Å; T639-E642 PolarHBondContact O-N 2.83Å; T639-E642 VanDerWaalsContact O-N 3.1Å; T639-E642 VanDerWaalsContact OG1-CG 3.24Å; T639-E642 WeakPolarHBondContact OG1-CG 3.48Å; T639-E642 PolarHBondContact OG1-N 3.48Å; T639-E642 PolarHBondContact OG1-OE2 2.79Å; T639-I643 WeakPolarHBondContact O-CG1 3.36Å; T639-I643 PolarHBondContact O-N 3.36Å; T639-I643 VanDerWaalsContact O-N 3.15Å
640	P	76.1	Confident	77.1	Confident	58 Å²	58	53.7 Å²	53.7	38%	0.377	32%	0.317	S	S	.	.	H	α-helix	trans	-53.7	-36.5	176.7	-29.4	36.1	0	0	0	113.9	I643 L644 A722	P640-I643 PolarHBondContact O-N 2.85Å; P640-L644 WeakPolarHBondContact O-CB 3.42Å; P640-L644 WeakPolarHBondContact O-CG 3.42Å; P640-L644 PolarHBondContact O-N 3.44Å; P640-A722 HydrophobicContact CB-CB 3.89Å
641	N	76.3	Confident	76.5	Confident	128 Å²	128	60.6 Å²	60.6	68%	0.684	35%	0.349	S	S	*	.	H	α-helix	trans	-68.1	-38.6	179.9	-68.9	-23.5	0	0	0	112.5	T639 S645	T639-N641 PolarHBondContact O-N 2.93Å; T639-N641 VanDerWaalsContact O-N 3.14Å; N641-S645 VanDerWaalsContact O-CB 3.27Å; N641-S645 WeakPolarHBondContact O-CB 3.32Å; N641-S645 PolarHBondContact O-N 2.96Å
642	E	79.1	Confident	76.5	Confident	87 Å²	87	62 Å²	62	41%	0.407	35%	0.353	S	S	.	.	H	α-helix	trans	-66.5	-42.9	176.4	-71.7	162.3	146.8	0	0	111	T639 S645 R646	T639-E642 WeakPolarHBondContact CB-OE2 3.25Å; T639-E642 PolarHBondContact N-OE2 3.39Å; T639-E642 PolarHBondContact O-N 2.83Å; T639-E642 VanDerWaalsContact O-N 3.1Å; T639-E642 VanDerWaalsContact OG1-CG 3.24Å; T639-E642 WeakPolarHBondContact OG1-CG 3.48Å; T639-E642 PolarHBondContact OG1-N 3.48Å; T639-E642 PolarHBondContact OG1-OE2 2.79Å; E642-S645 PolarHBondContact O-N 2.98Å; E642-R646 WeakPolarHBondContact O-CG 3.36Å; E642-R646 PolarHBondContact O-N 3.36Å; E642-R646 VanDerWaalsContact O-N 3.07Å
643	I	76.4	Confident	76.6	Confident	1 Å²	1	65 Å²	65	1%	0.005	37%	0.374	C	S	.	.	H	α-helix	trans	-63.5	-48.1	176.6	-60.7	170.8	0	0	0	110.3	F632 A633 D638 T639 P640 S645 R646 I647 A718 T719 A722	F632-I643 HydrophobicContact CB-CG2 4.31Å; A633-I643 HydrophobicContact CB-CD1 4.09Å; A633-I643 HydrophobicContact CB-CG1 4.26Å; D638-I643 HydrophobicContact CB-CD1 3.92Å; D638-I643 HydrophobicContact CB-CG1 3.83Å; T639-I643 WeakPolarHBondContact O-CG1 3.36Å; T639-I643 PolarHBondContact O-N 3.36Å; T639-I643 VanDerWaalsContact O-N 3.15Å; P640-I643 PolarHBondContact O-N 2.85Å; I643-S645 VanDerWaalsContact C-N 3.3Å; I643-S645 PolarHBondContact O-N 2.73Å; I643-R646 PolarHBondContact O-N 2.89Å; I643-I647 HydrophobicContact CG2-CD1 3.9Å; I643-I647 HydrophobicContact CG2-CG1 4.48Å; I643-I647 WeakPolarHBondContact O-CG1 3.31Å; I643-I647 PolarHBondContact O-N 3.43Å; I643-A718 HydrophobicContact CD1-CB 3.82Å; I643-T719 HydrophobicContact CG2-CG2 4.35Å; I643-A722 HydrophobicContact CB-CB 4.19Å; I643-A722 HydrophobicContact CD1-CB 4.4Å; I643-A722 HydrophobicContact CG2-CB 4.16Å
644	L	72.6	Confident	77.1	Confident	50 Å²	50	66.9 Å²	66.9	26%	0.262	38%	0.384	S	S	.	.	H	α-helix	trans	-63.1	-36.1	178.4	-72.4	171.4	0	0	0	112.3	P640 I647 G648 A722 L723	P640-L644 WeakPolarHBondContact O-CB 3.42Å; P640-L644 WeakPolarHBondContact O-CG 3.42Å; P640-L644 PolarHBondContact O-N 3.44Å; L644-I647 PolarHBondContact O-N 2.99Å; L644-G648 PolarHBondContact O-N 3.22Å; L644-A722 HydrophobicContact CG-CB 4.27Å; L644-L723 HydrophobicContact CD2-CD2 4.38Å
645	S	75.6	Confident	77.7	Confident	83 Å²	83	63.6 Å²	63.6	58%	0.58	38%	0.375	S	S	*	.	H	α-helix	trans	-62.1	-45	174	-177.3	0	0	0	0	111.6	N641 E642 I643 G648 S649	N641-S645 VanDerWaalsContact O-CB 3.27Å; N641-S645 WeakPolarHBondContact O-CB 3.32Å; N641-S645 PolarHBondContact O-N 2.96Å; E642-S645 PolarHBondContact O-N 2.98Å; I643-S645 VanDerWaalsContact C-N 3.3Å; I643-S645 PolarHBondContact O-N 2.73Å; S645-G648 PolarHBondContact O-N 3.39Å; S645-S649 WeakPolarHBondContact O-CB 2.94Å; S645-S649 PolarHBondContact O-N 2.83Å
646	R	78.6	Confident	78.2	Confident	65 Å²	65	64.5 Å²	64.5	25%	0.245	38%	0.384	C	S	.	.	H	α-helix	trans	-64.4	-44.3	176.4	-66.8	171.1	-160.8	146.2	3.8	111.5	F632 N634 D638 E642 I643 S649 G650	F632-R646 HydrophobicContact CD1-CB 4.4Å; F632-R646 WeakPolarHBondContact O-CD 3.44Å; F632-R646 PolarHBondContact O-NH1 2.97Å; N634-R646 PolarHBondContact ND2-NH2 3.29Å; D638-R646 VanDerWaalsContact CG-NH1 3.31Å; D638-R646 IonicContact OD1-CZ 2.58Å; D638-R646 IonicContact OD1-NH1 3.21Å; D638-R646 IonicContact OD1-NH2 2.7Å; D638-R646 PolarHBondContact OD1-NH2 2.93Å; D638-R646 VanDerWaalsContact OD1-NH2 3.12Å; D638-R646 IonicContact OD2-CZ 2.72Å; D638-R646 IonicContact OD2-NH1 2.65Å; D638-R646 PolarHBondContact OD2-NH1 2.87Å; D638-R646 IonicContact OD2-NH2 2.72Å; E642-R646 WeakPolarHBondContact O-CG 3.36Å; E642-R646 PolarHBondContact O-N 3.36Å; E642-R646 VanDerWaalsContact O-N 3.07Å; I643-R646 PolarHBondContact O-N 2.89Å; R646-S649 PolarHBondContact O-N 3.47Å; R646-S649 PolarHBondContact O-OG 3.14Å; R646-G650 PolarHBondContact O-N 2.87Å
647	I	76.8	Confident	78.9	Confident	20 Å²	20	64.3 Å²	64.3	10%	0.103	39%	0.394	C	S	.	.	H	α-helix	trans	-58.2	-50.2	174.2	-68.8	170.6	0	0	0	110.9	W616 F632 I643 L644 S649 G650 T719 L723	W616-I647 HydrophobicContact CH2-CG2 4.06Å; W616-I647 HydrophobicContact CZ2-CG1 4.37Å; W616-I647 HydrophobicContact CZ2-CG2 3.77Å; F632-I647 HydrophobicContact CB-CG1 3.9Å; F632-I647 HydrophobicContact CD1-CG1 3.97Å; F632-I647 HydrophobicContact CD2-CD1 4.39Å; F632-I647 HydrophobicContact CD2-CG1 3.74Å; F632-I647 HydrophobicContact CE1-CG1 4.46Å; F632-I647 HydrophobicContact CE2-CG1 4.28Å; F632-I647 HydrophobicContact CG-CD1 4.5Å; F632-I647 HydrophobicContact CG-CG1 3.58Å; I643-I647 HydrophobicContact CG2-CD1 3.9Å; I643-I647 HydrophobicContact CG2-CG1 4.48Å; I643-I647 WeakPolarHBondContact O-CG1 3.31Å; I643-I647 PolarHBondContact O-N 3.43Å; L644-I647 PolarHBondContact O-N 2.99Å; I647-S649 VanDerWaalsContact C-N 3.29Å; I647-S649 PolarHBondContact O-N 2.92Å; I647-G650 PolarHBondContact O-N 3.39Å; I647-T719 HydrophobicContact CD1-CG2 4.45Å; I647-L723 HydrophobicContact CD1-CD1 4.5Å; I647-L723 HydrophobicContact CD1-CD2 3.81Å; I647-L723 HydrophobicContact CD1-CG 4.09Å
648	G	70.2	Confident	79.4	Confident	57 Å²	57	56.8 Å²	56.8	59%	0.588	36%	0.359	S	S	*	.	H	α-helix	trans	-65.8	-29.9	-178.5	0	0	0	0	0	113.5	L644 S645 G650	L644-G648 PolarHBondContact O-N 3.22Å; S645-G648 PolarHBondContact O-N 3.39Å; G648-G650 VanDerWaalsContact C-N 3.28Å
649	S	75.6	Confident	80.1	Confident	59 Å²	59	55.4 Å²	55.4	41%	0.413	35%	0.352	S	S	.	.	H	α-helix	trans	-72.2	-21.5	173	79	0	0	0	0	113.1	S645 R646 I647 H651	S645-S649 WeakPolarHBondContact O-CB 2.94Å; S645-S649 PolarHBondContact O-N 2.83Å; R646-S649 PolarHBondContact O-N 3.47Å; R646-S649 PolarHBondContact O-OG 3.14Å; I647-S649 VanDerWaalsContact C-N 3.29Å; I647-S649 PolarHBondContact O-N 2.92Å; S649-H651 PolarHBondContact O-CE1 2.91Å; S649-H651 PolarHBondContact O-N 3.31Å; S649-H651 PolarHBondContact O-ND1 2.61Å; S649-H651 PolarHBondContact OG-N 2.78Å
650	G	68.1	Low	80.4	Confident	24 Å²	24	57.7 Å²	57.7	25%	0.247	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	6.3	-173.7	0	0	0	0	0	115.3	R646 I647 G648	R646-G650 PolarHBondContact O-N 2.87Å; I647-G650 PolarHBondContact O-N 3.39Å; G648-G650 VanDerWaalsContact C-N 3.28Å
651	H	74.3	Confident	81.1	Confident	149 Å²	149	59.3 Å²	59.3	69%	0.69	37%	0.371	S	S	*	.			trans	-89.9	115.7	-177.2	-70.1	69.8	0	0	0	110.7	S649	S649-H651 PolarHBondContact O-CE1 2.91Å; S649-H651 PolarHBondContact O-N 3.31Å; S649-H651 PolarHBondContact O-ND1 2.61Å; S649-H651 PolarHBondContact OG-N 2.78Å
652	F	84.8	Confident	81.9	Confident	44 Å²	44	53.4 Å²	53.4	19%	0.193	34%	0.339	C	S	.	.			trans	-136.1	151.7	165.8	58.1	-88	0	0	0	108.9	Y623 P631 F632 L654 V670 L674	Y623-F652 HydrophobicContact CD2-CD2 4.05Å; Y623-F652 HydrophobicContact CD2-CE2 4.43Å; Y623-F652 AromaticContact CE2-CD2 3.8Å; Y623-F652 HydrophobicContact CE2-CD2 3.8Å; P631-F652 HydrophobicContact CB-CB 4.11Å; P631-F652 HydrophobicContact CB-CG 4.46Å; F632-F652 HydrophobicContact CE1-CB 4.09Å; F632-F652 AromaticContact CE1-CD1 3.9Å; F632-F652 HydrophobicContact CE1-CD1 3.9Å; F632-F652 HydrophobicContact CE1-CG 4.39Å; F632-F652 HydrophobicContact CZ-CD1 4.02Å; F652-L654 HydrophobicContact CD2-CD2 4.12Å; F652-L654 HydrophobicContact CD2-CG 4.1Å; F652-L654 HydrophobicContact CE2-CD1 3.96Å; F652-L654 HydrophobicContact CE2-CD2 3.81Å; F652-L654 HydrophobicContact CE2-CG 3.77Å; F652-V670 HydrophobicContact CE2-CG1 3.97Å; F652-V670 HydrophobicContact CZ-CG1 4.43Å; F652-L674 HydrophobicContact CE1-CB 3.72Å; F652-L674 HydrophobicContact CE1-CD1 4.17Å; F652-L674 HydrophobicContact CE2-CD1 4.21Å; F652-L674 HydrophobicContact CZ-CB 3.82Å; F652-L674 HydrophobicContact CZ-CD1 4Å
653	S	85.5	Confident	82.6	Confident	63 Å²	63	50.8 Å²	50.8	44%	0.441	33%	0.33	S	S	.	.			trans	-84.2	132.1	-176.7	-170.9	0	0	0	0	111.5	Y623 A655 W659	Y623-S653 WeakPolarHBondContact CE2-O 3.4Å; Y623-S653 PolarHBondContact OH-O 3.03Å; Y623-S653 VanDerWaalsContact OH-O 3.1Å; S653-A655 PolarHBondContact OG-N 3.44Å; S653-A655 PolarHBondContact OG-O 3.44Å; S653-W659 PolarHBondContact O-NE1 2.89Å
654	L	89.9	Confident	83.5	Confident	44 Å²	44	56.8 Å²	56.8	23%	0.23	36%	0.362	C	S	.	.			trans	-112.5	27.7	166.2	-66	177.3	0	0	0	111.2	Y623 F652 W659 K667 V670	Y623-L654 HydrophobicContact CD2-CD2 4.4Å; Y623-L654 HydrophobicContact CE2-CD2 4.18Å; F652-L654 HydrophobicContact CD2-CD2 4.12Å; F652-L654 HydrophobicContact CD2-CG 4.1Å; F652-L654 HydrophobicContact CE2-CD1 3.96Å; F652-L654 HydrophobicContact CE2-CD2 3.81Å; F652-L654 HydrophobicContact CE2-CG 3.77Å; L654-W659 VanDerWaalsContact C-CB 3.48Å; L654-W659 HydrophobicContact CD2-CD2 3.92Å; L654-W659 HydrophobicContact CD2-CE3 3.82Å; L654-W659 HydrophobicContact CD2-CH2 3.63Å; L654-W659 HydrophobicContact CD2-CZ2 3.71Å; L654-W659 HydrophobicContact CD2-CZ3 3.66Å; L654-W659 WeakPolarHBondContact O-CB 3.49Å; L654-K667 HydrophobicContact CB-CG 4.45Å; L654-K667 HydrophobicContact CD1-CB 4.17Å; L654-V670 HydrophobicContact CD2-CG1 4.16Å
655	A	86.5	Confident	84.6	Confident	64 Å²	64	56.1 Å²	56.1	53%	0.529	36%	0.364	S	S	.	.	S	Bend	trans	-135.8	150.5	177.6	0	0	0	0	0	110.2	S653	S653-A655 PolarHBondContact OG-N 3.44Å; S653-A655 PolarHBondContact OG-O 3.44Å
656	G	85.4	Confident	85.6	Confident	32 Å²	32	52.1 Å²	52.1	33%	0.33	34%	0.336	S	S	.	.	S	Bend	trans	85.1	146.4	-179.3	0	0	0	0	0	113.8	N658 W659 D660	G656-N658 PolarHBondContact O-N 3.17Å; G656-W659 PolarHBondContact O-N 2.83Å; G656-D660 WeakPolarHBondContact CA-OD1 3.44Å; G656-D660 WeakPolarHBondContact CA-OD2 3.29Å; G656-D660 PolarHBondContact N-OD1 3.42Å
657	G	87.6	Confident	86.4	Confident	58 Å²	58	51.1 Å²	51.1	60%	0.598	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	65.9	-130	-179.8	0	0	0	0	0	111	W659 D660	G657-W659 PolarHBondContact O-N 3.07Å; G657-D660 PolarHBondContact N-OD2 2.93Å; G657-D660 PolarHBondContact O-N 3.46Å
658	N	88.9	Confident	87.4	Confident	15 Å²	15	53 Å²	53	8%	0.08	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-63.6	-27	179.4	-66.1	0.1	0	0	0	112.6	L626 A627 G656 D660 T661 V662 L704 P705	L626-N658 VanDerWaalsContact O-CB 3.3Å; L626-N658 WeakPolarHBondContact O-CB 3.47Å; L626-N658 PolarHBondContact O-ND2 3.13Å; A627-N658 PolarHBondContact O-ND2 3.07Å; G656-N658 PolarHBondContact O-N 3.17Å; N658-D660 PolarHBondContact O-N 3.15Å; N658-D660 VanDerWaalsContact O-N 3.16Å; N658-T661 PolarHBondContact O-N 3.49Å; N658-T661 VanDerWaalsContact O-N 3.07Å; N658-T661 PolarHBondContact O-OG1 2.86Å; N658-T661 VanDerWaalsContact O-OG1 3.04Å; N658-V662 VanDerWaalsContact O-CG2 3.25Å; N658-V662 WeakPolarHBondContact O-CG2 3.37Å; N658-V662 PolarHBondContact O-N 3.4Å; N658-L704 HydrophobicContact CB-CD2 4.12Å; N658-P705 PolarHBondContact ND2-O 3.26Å; N658-P705 WeakPolarHBondContact OD1-CD 3.42Å; N658-P705 WeakPolarHBondContact OD1-CG 3.05Å
659	W	92.6	Very high	88.7	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-66.1	-18.3	-177.6	-68.1	115.6	0	0	0	114	Y623 L626 A627 S653 L654 G656 G657 T661 V662 K667 V670	Y623-W659 HydrophobicContact CD1-CZ2 4.4Å; Y623-W659 HydrophobicContact CD2-CH2 4.15Å; Y623-W659 AromaticContact CD2-CZ2 3.4Å; Y623-W659 HydrophobicContact CD2-CZ2 3.4Å; Y623-W659 VanDerWaalsContact CD2-CZ2 3.4Å; Y623-W659 HydrophobicContact CE1-CZ2 4.41Å; Y623-W659 AromaticContact CE2-CE2 3.75Å; Y623-W659 HydrophobicContact CE2-CH2 4.45Å; Y623-W659 AromaticContact CE2-CZ2 3.4Å; Y623-W659 HydrophobicContact CE2-CZ2 3.4Å; Y623-W659 VanDerWaalsContact CE2-CZ2 3.4Å; Y623-W659 AromaticContact CE2-NE1 3.66Å; Y623-W659 AromaticContact CG-CZ2 3.91Å; Y623-W659 HydrophobicContact CG-CZ2 3.91Å; Y623-W659 AromaticContact CZ-CZ2 3.93Å; Y623-W659 AromaticContact CZ-NE1 3.51Å; Y623-W659 PolarHBondContact OH-NE1 3.21Å; L626-W659 HydrophobicContact CB-CH2 3.95Å; L626-W659 HydrophobicContact CB-CZ2 4.37Å; L626-W659 HydrophobicContact CB-CZ3 4.39Å; L626-W659 HydrophobicContact CD1-CH2 3.98Å; L626-W659 HydrophobicContact CD1-CZ3 4.14Å; A627-W659 HydrophobicContact CB-CZ2 3.86Å; S653-W659 PolarHBondContact O-NE1 2.89Å; L654-W659 VanDerWaalsContact C-CB 3.48Å; L654-W659 HydrophobicContact CD2-CD2 3.92Å; L654-W659 HydrophobicContact CD2-CE3 3.82Å; L654-W659 HydrophobicContact CD2-CH2 3.63Å; L654-W659 HydrophobicContact CD2-CZ2 3.71Å; L654-W659 HydrophobicContact CD2-CZ3 3.66Å; L654-W659 WeakPolarHBondContact O-CB 3.49Å; G656-W659 PolarHBondContact O-N 2.83Å; G657-W659 PolarHBondContact O-N 3.07Å; W659-T661 PolarHBondContact O-N 3.45Å; W659-V662 HydrophobicContact CE3-CB 3.96Å; W659-V662 HydrophobicContact CE3-CG1 3.81Å; W659-V662 HydrophobicContact CE3-CG2 4.38Å; W659-V662 HydrophobicContact CZ3-CB 4.35Å; W659-V662 HydrophobicContact CZ3-CG1 3.71Å; W659-K667 HydrophobicContact CE3-CG 3.88Å; W659-K667 HydrophobicContact CZ3-CG 4.04Å; W659-K667 WeakPolarHBondContact O-CE 3.33Å; W659-K667 PolarHBondContact O-NZ 3.14Å; W659-V670 HydrophobicContact CH2-CG1 4.4Å; W659-V670 HydrophobicContact CH2-CG2 4.06Å
660	D	88.8	Confident	89.7	Confident	110 Å²	110	47.5 Å²	47.5	59%	0.588	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-71.6	-22	176.2	-60.5	-28.2	0	0	0	111.9	G656 G657 N658	G656-D660 WeakPolarHBondContact CA-OD1 3.44Å; G656-D660 WeakPolarHBondContact CA-OD2 3.29Å; G656-D660 PolarHBondContact N-OD1 3.42Å; G657-D660 PolarHBondContact N-OD2 2.93Å; G657-D660 PolarHBondContact O-N 3.46Å; N658-D660 PolarHBondContact O-N 3.15Å; N658-D660 VanDerWaalsContact O-N 3.16Å
661	T	89.1	Confident	90.9	Very high	93 Å²	93	48.5 Å²	48.5	57%	0.571	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-20.2	179.7	60.4	0	0	0	0	113.6	N658 W659	N658-T661 PolarHBondContact O-N 3.49Å; N658-T661 VanDerWaalsContact O-N 3.07Å; N658-T661 PolarHBondContact O-OG1 2.86Å; N658-T661 VanDerWaalsContact O-OG1 3.04Å; W659-T661 PolarHBondContact O-N 3.45Å
662	V	93.4	Very high	91.9	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.024	28%	0.283	C	S	.	.	S	Bend	trans	-65.9	136.4	176.7	168.9	0	0	0	0	111.4	E527 L626 N658 W659 A666 K667 L704	E527-V662 WeakPolarHBondContact OE1-CA 3.48Å; L626-V662 HydrophobicContact CB-CG2 4.46Å; L626-V662 HydrophobicContact CD1-CG1 4.28Å; N658-V662 VanDerWaalsContact O-CG2 3.25Å; N658-V662 WeakPolarHBondContact O-CG2 3.37Å; N658-V662 PolarHBondContact O-N 3.4Å; W659-V662 HydrophobicContact CE3-CB 3.96Å; W659-V662 HydrophobicContact CE3-CG1 3.81Å; W659-V662 HydrophobicContact CE3-CG2 4.38Å; W659-V662 HydrophobicContact CZ3-CB 4.35Å; W659-V662 HydrophobicContact CZ3-CG1 3.71Å; V662-A666 HydrophobicContact CG1-CB 3.46Å; V662-A666 VanDerWaalsContact CG1-CB 3.46Å; V662-K667 VanDerWaalsContact O-CE 3.31Å; V662-K667 WeakPolarHBondContact O-CE 3.41Å; V662-K667 PolarHBondContact O-NZ 2.84Å; V662-L704 HydrophobicContact CG2-CD2 3.83Å
663	S	94.8	Very high	92.4	Very high	31 Å²	31	43 Å²	43	22%	0.217	27%	0.274	C	S	.	.			trans	-60	147.8	-177.2	72.3	0	0	0	0	114.1	E527 A665 A666 K667	E527-S663 PolarHBondContact OE1-N 2.9Å; E527-S663 WeakPolarHBondContact OE2-CB 3.18Å; E527-S663 PolarHBondContact OE2-OG 3.43Å; S663-A665 PolarHBondContact O-N 2.72Å; S663-A666 WeakPolarHBondContact O-CB 3.2Å; S663-A666 PolarHBondContact O-N 3.19Å; S663-A666 PolarHBondContact OG-N 3.16Å; S663-K667 PolarHBondContact O-N 2.84Å; S663-K667 VanDerWaalsContact O-N 3.14Å
664	D	94.9	Very high	92.6	Very high	127 Å²	127	40.1 Å²	40.1	68%	0.679	25%	0.253	S	S	*	.	H	α-helix	trans	-60.8	-30.5	176.5	-65.3	-34.9	0	0	0	112.3	A666 K667 D668	D664-A666 VanDerWaalsContact C-N 3.34Å; D664-A666 PolarHBondContact O-N 3.06Å; D664-K667 PolarHBondContact O-N 3.1Å; D664-K667 IonicContact OD1-NZ 3.07Å; D664-D668 WeakPolarHBondContact O-CB 3.33Å; D664-D668 PolarHBondContact O-N 3.14Å
665	A	95.9	Very high	92.6	Very high	36 Å²	36	41.1 Å²	41.1	30%	0.298	26%	0.256	S	S	.	.	H	α-helix	trans	-66.8	-33.5	174.9	0	0	0	0	0	112.5	S663 L669 H690 W692	S663-A665 PolarHBondContact O-N 2.72Å; A665-L669 PolarHBondContact O-N 2.89Å; A665-L669 VanDerWaalsContact O-N 3.17Å; A665-H690 PolarHBondContact O-CE1 2.7Å; A665-W692 HydrophobicContact CB-CB 4.1Å; A665-W692 HydrophobicContact CB-CG 4.46Å
666	A	95.8	Very high	92.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-69.7	-45.2	172.9	0	0	0	0	0	110.9	L626 V662 S663 D664 D668 L669 V670 W692	L626-A666 HydrophobicContact CD1-CB 3.89Å; V662-A666 HydrophobicContact CG1-CB 3.46Å; V662-A666 VanDerWaalsContact CG1-CB 3.46Å; S663-A666 WeakPolarHBondContact O-CB 3.2Å; S663-A666 PolarHBondContact O-N 3.19Å; S663-A666 PolarHBondContact OG-N 3.16Å; D664-A666 VanDerWaalsContact C-N 3.34Å; D664-A666 PolarHBondContact O-N 3.06Å; A666-D668 VanDerWaalsContact C-N 3.34Å; A666-D668 PolarHBondContact O-N 2.9Å; A666-L669 PolarHBondContact O-N 3.38Å; A666-V670 VanDerWaalsContact O-CG2 3.3Å; A666-V670 WeakPolarHBondContact O-CG2 3.4Å; A666-V670 PolarHBondContact O-N 3.09Å; A666-W692 HydrophobicContact CB-CD2 4.31Å; A666-W692 HydrophobicContact CB-CG 4.31Å; A666-W692 HydrophobicContact CB-CZ2 4.21Å; A666-W692 VanDerWaalsContact N-CD1 3.33Å
667	K	96.3	Very high	92.1	Very high	43 Å²	43	42.5 Å²	42.5	19%	0.187	25%	0.25	C	C	.	.	H	α-helix	trans	-57.8	-45.9	177	-68.2	174.4	-176.1	166.8	0	111.5	L654 W659 V662 S663 D664 V670 S671	L654-K667 HydrophobicContact CB-CG 4.45Å; L654-K667 HydrophobicContact CD1-CB 4.17Å; W659-K667 HydrophobicContact CE3-CG 3.88Å; W659-K667 HydrophobicContact CZ3-CG 4.04Å; W659-K667 WeakPolarHBondContact O-CE 3.33Å; W659-K667 PolarHBondContact O-NZ 3.14Å; V662-K667 VanDerWaalsContact O-CE 3.31Å; V662-K667 WeakPolarHBondContact O-CE 3.41Å; V662-K667 PolarHBondContact O-NZ 2.84Å; S663-K667 PolarHBondContact O-N 2.84Å; S663-K667 VanDerWaalsContact O-N 3.14Å; D664-K667 PolarHBondContact O-N 3.1Å; D664-K667 IonicContact OD1-NZ 3.07Å; K667-V670 PolarHBondContact O-N 2.99Å; K667-S671 WeakPolarHBondContact O-CB 3.18Å; K667-S671 PolarHBondContact O-N 2.66Å
668	D	96.8	Very high	91.6	Very high	61 Å²	61	41 Å²	41	33%	0.326	23%	0.23	S	C	.	.	H	α-helix	trans	-59.6	-47.4	176.1	-178.9	58.8	0	0	0	111.5	D664 A666 V670 S671 K672 H690	D664-D668 WeakPolarHBondContact O-CB 3.33Å; D664-D668 PolarHBondContact O-N 3.14Å; A666-D668 VanDerWaalsContact C-N 3.34Å; A666-D668 PolarHBondContact O-N 2.9Å; D668-V670 PolarHBondContact O-N 3.4Å; D668-S671 PolarHBondContact O-N 2.86Å; D668-S671 PolarHBondContact O-OG 3Å; D668-K672 WeakPolarHBondContact O-CG 3.39Å; D668-K672 PolarHBondContact O-N 3.49Å; D668-K672 VanDerWaalsContact O-N 3.13Å; D668-K672 WeakPolarHBondContact OD1-CE 3.43Å; D668-K672 IonicContact OD1-NZ 2.75Å; D668-K672 PolarHBondContact OD1-NZ 3.04Å; D668-K672 IonicContact OD2-NZ 3.86Å; D668-K672 PolarHBondContact OD2-NZ 3.01Å; D668-H690 IonicContact OD2-CE1 3.44Å; D668-H690 IonicContact OD2-NE2 3.87Å; D668-H690 PolarHBondContact OD2-NE2 2.77Å
669	L	97.3	Very high	91.2	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-48.9	178.1	-178.8	55.8	0	0	0	112.2	L534 L622 A665 A666 S671 K672 M673 L682 V687 H690 W692 I693	L534-L669 HydrophobicContact CD2-CD2 4.11Å; L622-L669 HydrophobicContact CD2-CD2 3.92Å; L622-L669 HydrophobicContact CD2-CG 4.03Å; A665-L669 PolarHBondContact O-N 2.89Å; A665-L669 VanDerWaalsContact O-N 3.17Å; A666-L669 PolarHBondContact O-N 3.38Å; L669-S671 VanDerWaalsContact C-N 3.3Å; L669-S671 PolarHBondContact O-N 3.44Å; L669-K672 PolarHBondContact O-N 2.98Å; L669-M673 HydrophobicContact CD1-CG 3.99Å; L669-M673 HydrophobicContact CD1-SD 3.81Å; L669-M673 HydrophobicContact CD2-SD 4.38Å; L669-M673 HydrophobicContact CG-CG 4.4Å; L669-M673 HydrophobicContact CG-SD 3.82Å; L669-M673 WeakPolarHBondContact O-CG 3.49Å; L669-M673 PolarHBondContact O-N 2.95Å; L669-L682 HydrophobicContact CD1-CD1 3.81Å; L669-V687 HydrophobicContact CD1-CG1 4.23Å; L669-V687 HydrophobicContact CD1-CG2 4.47Å; L669-H690 HydrophobicContact CD1-CB 3.98Å; L669-W692 HydrophobicContact CD2-CB 4.38Å; L669-W692 HydrophobicContact CD2-CD2 4.26Å; L669-W692 HydrophobicContact CD2-CE3 3.5Å; L669-W692 VanDerWaalsContact CD2-CE3 3.5Å; L669-W692 HydrophobicContact CD2-CZ3 4.14Å; L669-I693 HydrophobicContact CD2-CD1 4.44Å; L669-I693 HydrophobicContact CD2-CG1 3.99Å
670	V	96.3	Very high	90.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58.5	-44.5	179.3	171.9	0	0	0	0	110.6	L622 Y623 L626 F652 L654 W659 A666 K667 D668 K672 M673 L674	L622-V670 HydrophobicContact CD2-CG2 3.43Å; L622-V670 VanDerWaalsContact CD2-CG2 3.43Å; L622-V670 HydrophobicContact CG-CG2 3.68Å; Y623-V670 HydrophobicContact CD2-CG1 3.95Å; L626-V670 HydrophobicContact CD1-CG2 4.19Å; F652-V670 HydrophobicContact CE2-CG1 3.97Å; F652-V670 HydrophobicContact CZ-CG1 4.43Å; L654-V670 HydrophobicContact CD2-CG1 4.16Å; W659-V670 HydrophobicContact CH2-CG1 4.4Å; W659-V670 HydrophobicContact CH2-CG2 4.06Å; A666-V670 VanDerWaalsContact O-CG2 3.3Å; A666-V670 WeakPolarHBondContact O-CG2 3.4Å; A666-V670 PolarHBondContact O-N 3.09Å; K667-V670 PolarHBondContact O-N 2.99Å; D668-V670 PolarHBondContact O-N 3.4Å; V670-K672 VanDerWaalsContact C-N 3.31Å; V670-K672 PolarHBondContact O-N 3.24Å; V670-M673 PolarHBondContact O-N 3.2Å; V670-L674 HydrophobicContact CG1-CD1 3.91Å; V670-L674 WeakPolarHBondContact O-CB 3.48Å; V670-L674 PolarHBondContact O-N 3.45Å
671	S	94.6	Very high	90.9	Very high	44 Å²	44	47.5 Å²	47.5	31%	0.308	26%	0.255	S	S	.	.	H	α-helix	trans	-60.2	-39	178.6	76.9	0	0	0	0	113.3	K667 D668 L669 H675	K667-S671 WeakPolarHBondContact O-CB 3.18Å; K667-S671 PolarHBondContact O-N 2.66Å; D668-S671 PolarHBondContact O-N 2.86Å; D668-S671 PolarHBondContact O-OG 3Å; L669-S671 VanDerWaalsContact C-N 3.3Å; L669-S671 PolarHBondContact O-N 3.44Å; S671-H675 PolarHBondContact O-N 2.78Å
672	K	95.3	Very high	91.2	Very high	78 Å²	78	44.5 Å²	44.5	34%	0.339	24%	0.235	S	C	.	.	H	α-helix	trans	-78.6	-28	179.8	-68	172.6	176.3	159.7	0	113.3	D668 L669 V670 R681 L682	D668-K672 WeakPolarHBondContact O-CG 3.39Å; D668-K672 PolarHBondContact O-N 3.49Å; D668-K672 VanDerWaalsContact O-N 3.13Å; D668-K672 WeakPolarHBondContact OD1-CE 3.43Å; D668-K672 IonicContact OD1-NZ 2.75Å; D668-K672 PolarHBondContact OD1-NZ 3.04Å; D668-K672 IonicContact OD2-NZ 3.86Å; D668-K672 PolarHBondContact OD2-NZ 3.01Å; L669-K672 PolarHBondContact O-N 2.98Å; V670-K672 VanDerWaalsContact C-N 3.31Å; V670-K672 PolarHBondContact O-N 3.24Å; K672-R681 WeakPolarHBondContact O-CA 3.28Å; K672-L682 HydrophobicContact CB-CD1 3.6Å; K672-L682 HydrophobicContact CB-CD2 4.46Å; K672-L682 HydrophobicContact CB-CG 3.76Å; K672-L682 HydrophobicContact CD-CD1 4.19Å; K672-L682 HydrophobicContact CD-CD2 4.46Å; K672-L682 PolarHBondContact O-N 3.26Å
673	M	94.1	Very high	91.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-78.1	-33.3	174	-68	179.1	76.6	0	0	112.3	L534 I615 L618 L622 L669 V670 H675 R681 V687	L534-M673 HydrophobicContact CD2-SD 4.29Å; I615-M673 HydrophobicContact CG2-CB 4.16Å; I615-M673 HydrophobicContact CG2-CE 4.07Å; I615-M673 HydrophobicContact CG2-CG 4.06Å; L618-M673 HydrophobicContact CB-CE 3.43Å; L618-M673 VanDerWaalsContact CB-CE 3.43Å; L622-M673 HydrophobicContact CD2-SD 4.13Å; L669-M673 HydrophobicContact CD1-CG 3.99Å; L669-M673 HydrophobicContact CD1-SD 3.81Å; L669-M673 HydrophobicContact CD2-SD 4.38Å; L669-M673 HydrophobicContact CG-CG 4.4Å; L669-M673 HydrophobicContact CG-SD 3.82Å; L669-M673 WeakPolarHBondContact O-CG 3.49Å; L669-M673 PolarHBondContact O-N 2.95Å; V670-M673 PolarHBondContact O-N 3.2Å; M673-H675 VanDerWaalsContact C-N 3.33Å; M673-R681 WeakPolarHBondContact O-CD 3.4Å; M673-R681 VanDerWaalsContact O-CG 3.29Å; M673-R681 WeakPolarHBondContact O-CG 3.5Å; M673-R681 PolarHBondContact O-NE 2.9Å; M673-V687 HydrophobicContact CE-CG1 4.31Å; M673-V687 HydrophobicContact CE-CG2 4.18Å; M673-V687 HydrophobicContact CG-CG2 3.99Å; M673-V687 HydrophobicContact SD-CG1 4.17Å; M673-V687 HydrophobicContact SD-CG2 4.14Å
674	L	90.8	Very high	91.3	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.016	24%	0.242	C	C	.	.	S	Bend	trans	-95.7	22.5	177.3	-65.5	-179.2	0	0	0	113.2	W616 V620 Y623 P631 F632 F652 V670 V676	W616-L674 HydrophobicContact CD2-CD2 3.96Å; W616-L674 HydrophobicContact CE3-CD2 4.14Å; W616-L674 HydrophobicContact CG-CD2 4.38Å; W616-L674 HydrophobicContact CZ2-CD2 4.43Å; W616-L674 HydrophobicContact CZ3-CB 4.41Å; W616-L674 HydrophobicContact CZ3-CD2 4.48Å; W616-L674 WeakPolarHBondContact CZ3-O 3.41Å; V620-L674 HydrophobicContact CG2-CD2 3.77Å; Y623-L674 HydrophobicContact CD2-CD1 4.48Å; P631-L674 HydrophobicContact CB-CD1 4.27Å; P631-L674 HydrophobicContact CG-CD1 4.22Å; F632-L674 HydrophobicContact CE2-CD2 4.38Å; F632-L674 HydrophobicContact CZ-CD1 4.45Å; F652-L674 HydrophobicContact CE1-CB 3.72Å; F652-L674 HydrophobicContact CE1-CD1 4.17Å; F652-L674 HydrophobicContact CE2-CD1 4.21Å; F652-L674 HydrophobicContact CZ-CB 3.82Å; F652-L674 HydrophobicContact CZ-CD1 4Å; V670-L674 HydrophobicContact CG1-CD1 3.91Å; V670-L674 WeakPolarHBondContact O-CB 3.48Å; V670-L674 PolarHBondContact O-N 3.45Å; L674-V676 PolarHBondContact O-N 3.34Å
675	H	88.9	Confident	91.3	Very high	64 Å²	64	44.8 Å²	44.8	30%	0.296	23%	0.232	S	C	.	.			trans	-64.7	129.4	174.8	-162.8	-77.9	0	0	0	110.1	S671 M673 D677 Q680 R681	S671-H675 PolarHBondContact O-N 2.78Å; M673-H675 VanDerWaalsContact C-N 3.33Å; H675-D677 WeakPolarHBondContact ND1-CB 3.37Å; H675-D677 PolarHBondContact ND1-N 2.85Å; H675-D677 VanDerWaalsContact ND1-N 3.16Å; H675-D677 PolarHBondContact ND1-O 2.94Å; H675-D677 VanDerWaalsContact ND1-O 3.16Å; H675-D677 PolarHBondContact O-N 2.91Å; H675-Q680 PolarHBondContact CE1-OE1 3.32Å; H675-Q680 PolarHBondContact NE2-OE1 2.8Å; H675-R681 HydrophobicContact CB-CB 4.5Å; H675-R681 PolarHBondContact O-NE 3.44Å; H675-R681 VanDerWaalsContact O-NE 3.07Å; H675-R681 PolarHBondContact O-NH2 3.07Å
676	V	82.1	Confident	91.4	Very high	68 Å²	68	47.5 Å²	47.5	41%	0.412	24%	0.238	S	C	.	.	S	Bend	trans	-62.9	-42.9	-175.5	-179.5	0	0	0	0	111.3	L674 P678 R681	L674-V676 PolarHBondContact O-N 3.34Å; V676-P678 VanDerWaalsContact O-CD 3.28Å; V676-P678 WeakPolarHBondContact O-CD 3.28Å; V676-R681 PolarHBondContact O-NH2 3.47Å
677	D	79.3	Confident	91.5	Very high	57 Å²	57	47.5 Å²	47.5	31%	0.305	24%	0.238	S	C	.	.	S	Bend	trans	-73	115.3	171.8	-177.9	-3	0	0	0	110.4	H675 H679 Q680 R681	H675-D677 WeakPolarHBondContact ND1-CB 3.37Å; H675-D677 PolarHBondContact ND1-N 2.85Å; H675-D677 VanDerWaalsContact ND1-N 3.16Å; H675-D677 PolarHBondContact ND1-O 2.94Å; H675-D677 VanDerWaalsContact ND1-O 3.16Å; H675-D677 PolarHBondContact O-N 2.91Å; D677-H679 PolarHBondContact O-N 3.1Å; D677-H679 IonicContact OD1-CD2 3.86Å; D677-H679 IonicContact OD1-CG 3.85Å; D677-H679 PolarHBondContact OD1-N 2.86Å; D677-Q680 HydrophobicContact CB-CB 4.39Å; D677-Q680 HydrophobicContact CB-CG 4.38Å; D677-Q680 PolarHBondContact O-N 3.19Å; D677-Q680 PolarHBondContact OD2-NE2 3.45Å; D677-R681 PolarHBondContact O-N 3.23Å
678	P	78.4	Confident	91.5	Very high	28 Å²	28	47.2 Å²	47.2	18%	0.182	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.3	178.8	-18.2	29.3	0	0	0	114.1	Y609 V676 Q680 R681	Y609-P678 HydrophobicContact CD2-CG 3.74Å; Y609-P678 HydrophobicContact CE2-CG 4.42Å; V676-P678 VanDerWaalsContact O-CD 3.28Å; V676-P678 WeakPolarHBondContact O-CD 3.28Å; P678-Q680 VanDerWaalsContact C-N 3.33Å; P678-R681 VanDerWaalsContact O-CB 3.31Å; P678-R681 WeakPolarHBondContact O-CB 3.04Å; P678-R681 PolarHBondContact O-N 2.92Å
679	H	79.6	Confident	91.6	Very high	120 Å²	120	52.6 Å²	52.6	56%	0.556	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-21	-178.4	-63.1	-62.4	0	0	0	113.4	D677	D677-H679 PolarHBondContact O-N 3.1Å; D677-H679 IonicContact OD1-CD2 3.86Å; D677-H679 IonicContact OD1-CG 3.85Å; D677-H679 PolarHBondContact OD1-N 2.86Å
680	Q	85.2	Confident	91.6	Very high	121 Å²	121	53.2 Å²	53.2	57%	0.565	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-9.2	173.7	-65	-177.2	51.8	0	0	112.1	H675 D677 P678	H675-Q680 PolarHBondContact CE1-OE1 3.32Å; H675-Q680 PolarHBondContact NE2-OE1 2.8Å; D677-Q680 HydrophobicContact CB-CB 4.39Å; D677-Q680 HydrophobicContact CB-CG 4.38Å; D677-Q680 PolarHBondContact O-N 3.19Å; D677-Q680 PolarHBondContact OD2-NE2 3.45Å; P678-Q680 VanDerWaalsContact C-N 3.33Å
681	R	90.4	Very high	91.6	Very high	20 Å²	20	56.6 Å²	56.6	8%	0.075	28%	0.279	C	S	.	.	S	Bend	trans	-68.9	142.3	175	-161.4	175.3	-62	142.1	8.1	109.7	G612 I615 K672 M673 H675 V676 D677 P678	G612-R681 VanDerWaalsContact O-CD 3.3Å; G612-R681 WeakPolarHBondContact O-CD 3.01Å; G612-R681 PolarHBondContact O-NH1 3.17Å; I615-R681 HydrophobicContact CB-CG 4.31Å; I615-R681 HydrophobicContact CG2-CG 3.95Å; K672-R681 WeakPolarHBondContact O-CA 3.28Å; M673-R681 WeakPolarHBondContact O-CD 3.4Å; M673-R681 VanDerWaalsContact O-CG 3.29Å; M673-R681 WeakPolarHBondContact O-CG 3.5Å; M673-R681 PolarHBondContact O-NE 2.9Å; H675-R681 HydrophobicContact CB-CB 4.5Å; H675-R681 PolarHBondContact O-NE 3.44Å; H675-R681 VanDerWaalsContact O-NE 3.07Å; H675-R681 PolarHBondContact O-NH2 3.07Å; V676-R681 PolarHBondContact O-NH2 3.47Å; D677-R681 PolarHBondContact O-N 3.23Å; P678-R681 VanDerWaalsContact O-CB 3.31Å; P678-R681 WeakPolarHBondContact O-CB 3.04Å; P678-R681 PolarHBondContact O-N 2.92Å
682	L	94.3	Very high	91.8	Very high	29 Å²	29	54.6 Å²	54.6	15%	0.152	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-61.7	147.1	175.2	-63.9	172	0	0	0	110.6	I615 L669 K672 Q686 V687	I615-L682 WeakPolarHBondContact CG1-O 3.47Å; I615-L682 WeakPolarHBondContact CG2-O 3.2Å; L669-L682 HydrophobicContact CD1-CD1 3.81Å; K672-L682 HydrophobicContact CB-CD1 3.6Å; K672-L682 HydrophobicContact CB-CD2 4.46Å; K672-L682 HydrophobicContact CB-CG 3.76Å; K672-L682 HydrophobicContact CD-CD1 4.19Å; K672-L682 HydrophobicContact CD-CD2 4.46Å; K672-L682 PolarHBondContact O-N 3.26Å; L682-Q686 HydrophobicContact CB-CB 4.13Å; L682-Q686 HydrophobicContact CD2-CB 3.88Å; L682-V687 HydrophobicContact CB-CG2 3.72Å; L682-V687 HydrophobicContact CD1-CG2 4.06Å
683	T	94.6	Very high	91.8	Very high	61 Å²	61	50.9 Å²	50.9	37%	0.374	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-80.9	161.9	163.3	65.1	0	0	0	0	110.5	K685 Q686 V687	T683-K685 PolarHBondContact O-N 3.34Å; T683-Q686 WeakPolarHBondContact O-CA 3.44Å; T683-Q686 WeakPolarHBondContact O-CB 3.34Å; T683-Q686 PolarHBondContact O-N 3.19Å; T683-Q686 WeakPolarHBondContact OG1-CG 3.48Å; T683-Q686 PolarHBondContact OG1-N 2.93Å; T683-Q686 PolarHBondContact OG1-OE1 2.83Å; T683-V687 PolarHBondContact O-N 2.88Å
684	A	95.3	Very high	91.9	Very high	2 Å²	2	55.1 Å²	55.1	2%	0.017	27%	0.274	C	S	.	.	H	α-helix	trans	-53.8	-41.5	177.6	0	0	0	0	0	111.8	T538 V541 E542 I615 Q686 V687 L688	T538-A684 HydrophobicContact CG2-CB 4.2Å; V541-A684 HydrophobicContact CG1-CB 4.25Å; E542-A684 HydrophobicContact CB-CB 3.72Å; E542-A684 HydrophobicContact CG-CB 4.18Å; I615-A684 HydrophobicContact CD1-CB 3.82Å; A684-Q686 VanDerWaalsContact C-N 3.33Å; A684-Q686 PolarHBondContact O-N 3.33Å; A684-V687 PolarHBondContact O-N 3.1Å; A684-L688 WeakPolarHBondContact O-CG 3.33Å; A684-L688 PolarHBondContact O-N 2.89Å
685	K	96	Very high	92	Very high	105 Å²	105	59.8 Å²	59.8	46%	0.457	30%	0.296	S	S	.	.	H	α-helix	trans	-62.2	-36.3	175.6	-174	171.6	-175.6	169.2	0	113.4	E542 T683 R689	E542-K685 HydrophobicContact CG-CB 4.02Å; T683-K685 PolarHBondContact O-N 3.34Å; K685-R689 WeakPolarHBondContact O-CG 3.39Å
686	Q	97.1	Very high	92.2	Very high	94 Å²	94	60.5 Å²	60.5	44%	0.439	30%	0.296	S	S	.	.	H	α-helix	trans	-74.4	-38.5	176	-70.5	169.1	-32.3	0	0	111.7	L682 T683 A684 L688 R689 H690	L682-Q686 HydrophobicContact CB-CB 4.13Å; L682-Q686 HydrophobicContact CD2-CB 3.88Å; T683-Q686 WeakPolarHBondContact O-CA 3.44Å; T683-Q686 WeakPolarHBondContact O-CB 3.34Å; T683-Q686 PolarHBondContact O-N 3.19Å; T683-Q686 WeakPolarHBondContact OG1-CG 3.48Å; T683-Q686 PolarHBondContact OG1-N 2.93Å; T683-Q686 PolarHBondContact OG1-OE1 2.83Å; A684-Q686 VanDerWaalsContact C-N 3.33Å; A684-Q686 PolarHBondContact O-N 3.33Å; Q686-L688 VanDerWaalsContact C-N 3.32Å; Q686-L688 PolarHBondContact O-N 3.36Å; Q686-R689 PolarHBondContact O-N 3.43Å; Q686-R689 VanDerWaalsContact O-N 3.1Å; Q686-H690 PolarHBondContact O-N 2.91Å
687	V	97.9	Very high	92.6	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-57.6	-45.2	173.5	173.2	0	0	0	0	110.8	T538 I615 L669 M673 L682 T683 A684 R689 H690 I693	T538-V687 HydrophobicContact CG2-CB 3.84Å; T538-V687 HydrophobicContact CG2-CG1 3.68Å; I615-V687 HydrophobicContact CG2-CG2 4.37Å; L669-V687 HydrophobicContact CD1-CG1 4.23Å; L669-V687 HydrophobicContact CD1-CG2 4.47Å; M673-V687 HydrophobicContact CE-CG1 4.31Å; M673-V687 HydrophobicContact CE-CG2 4.18Å; M673-V687 HydrophobicContact CG-CG2 3.99Å; M673-V687 HydrophobicContact SD-CG1 4.17Å; M673-V687 HydrophobicContact SD-CG2 4.14Å; L682-V687 HydrophobicContact CB-CG2 3.72Å; L682-V687 HydrophobicContact CD1-CG2 4.06Å; T683-V687 PolarHBondContact O-N 2.88Å; A684-V687 PolarHBondContact O-N 3.1Å; V687-R689 PolarHBondContact O-N 2.85Å; V687-H690 WeakPolarHBondContact O-CB 3.19Å; V687-H690 PolarHBondContact O-N 2.86Å; V687-I693 HydrophobicContact CG1-CG1 4.5Å
688	L	97.6	Very high	93.1	Very high	36 Å²	36	67.6 Å²	67.6	19%	0.188	32%	0.324	C	S	.	.	H	α-helix	trans	-63.4	-22	178	-69.8	171.7	0	0	0	114.1	T538 K539 E542 A684 Q686 I693 V694	T538-L688 HydrophobicContact CG2-CD2 3.98Å; T538-L688 HydrophobicContact CG2-CG 3.83Å; K539-L688 HydrophobicContact CB-CD2 4.23Å; E542-L688 HydrophobicContact CB-CD1 3.75Å; E542-L688 HydrophobicContact CG-CD1 3.99Å; A684-L688 WeakPolarHBondContact O-CG 3.33Å; A684-L688 PolarHBondContact O-N 2.89Å; Q686-L688 VanDerWaalsContact C-N 3.32Å; Q686-L688 PolarHBondContact O-N 3.36Å; L688-I693 HydrophobicContact CD2-CG2 4.5Å; L688-V694 WeakPolarHBondContact O-CG2 3.4Å
689	R	97.6	Very high	93.8	Very high	175 Å²	175	67 Å²	67	66%	0.66	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-5.8	176.6	-68.1	172.5	177.8	-169.5	-5.4	112.9	K685 Q686 V687	K685-R689 WeakPolarHBondContact O-CG 3.39Å; Q686-R689 PolarHBondContact O-N 3.43Å; Q686-R689 VanDerWaalsContact O-N 3.1Å; V687-R689 PolarHBondContact O-N 2.85Å
690	H	98.3	Very high	94.2	Very high	13 Å²	13	63.8 Å²	63.8	6%	0.06	31%	0.309	C	S	.	.	S	Bend	trans	-65.1	139.2	-177.2	-164.7	-94.7	0	0	0	111.2	A665 D668 L669 Q686 V687 W692 I693 V694	A665-H690 PolarHBondContact O-CE1 2.7Å; D668-H690 IonicContact OD2-CE1 3.44Å; D668-H690 IonicContact OD2-NE2 3.87Å; D668-H690 PolarHBondContact OD2-NE2 2.77Å; L669-H690 HydrophobicContact CD1-CB 3.98Å; Q686-H690 PolarHBondContact O-N 2.91Å; V687-H690 WeakPolarHBondContact O-CB 3.19Å; V687-H690 PolarHBondContact O-N 2.86Å; H690-W692 PolarHBondContact ND1-N 2.87Å; H690-W692 PolarHBondContact O-N 2.8Å; H690-W692 VanDerWaalsContact O-N 3.14Å; H690-I693 PolarHBondContact O-N 2.89Å; H690-V694 WeakPolarHBondContact O-CG2 3.34Å; H690-V694 PolarHBondContact O-N 2.91Å
691	P	96.9	Very high	94.2	Very high	71 Å²	71	62.8 Å²	62.8	46%	0.461	31%	0.307	S	S	.	.	H	α-helix	trans	-52.6	-38.9	-178.6	-29.6	35.8	0	0	0	114.2	I693 V694 Q695	P691-I693 VanDerWaalsContact C-N 3.26Å; P691-I693 PolarHBondContact O-N 3.35Å; P691-V694 PolarHBondContact O-N 3.21Å; P691-Q695 VanDerWaalsContact O-CB 3.26Å; P691-Q695 WeakPolarHBondContact O-CB 3.48Å; P691-Q695 WeakPolarHBondContact O-CG 3.19Å; P691-Q695 PolarHBondContact O-N 2.98Å
692	W	97.4	Very high	93.9	Very high	1 Å²	1	64.3 Å²	64.3	0%	0.004	32%	0.321	C	S	.	.	H	α-helix	trans	-62.8	-29.4	178.2	-168.6	83.1	0	0	0	113.5	E527 A530 S531 L534 L622 L626 A665 A666 L669 H690 L699	E527-W692 HydrophobicContact CB-CZ2 4.26Å; E527-W692 WeakPolarHBondContact O-CZ2 3.36Å; E527-W692 PolarHBondContact OE2-NE1 3.4Å; A530-W692 HydrophobicContact CB-CH2 4.1Å; S531-W692 VanDerWaalsContact CA-CH2 3.43Å; S531-W692 VanDerWaalsContact CA-CZ3 3.47Å; S531-W692 PolarHBondContact OG-O 2.98Å; L534-W692 HydrophobicContact CD2-CZ3 4.05Å; L622-W692 HydrophobicContact CD1-CH2 3.5Å; L622-W692 VanDerWaalsContact CD1-CH2 3.5Å; L622-W692 HydrophobicContact CD1-CZ2 4.4Å; L622-W692 HydrophobicContact CD1-CZ3 3.75Å; L622-W692 HydrophobicContact CD2-CZ3 4.38Å; L626-W692 HydrophobicContact CD1-CZ2 4.46Å; L626-W692 HydrophobicContact CD2-CZ2 4.21Å; A665-W692 HydrophobicContact CB-CB 4.1Å; A665-W692 HydrophobicContact CB-CG 4.46Å; A666-W692 HydrophobicContact CB-CD2 4.31Å; A666-W692 HydrophobicContact CB-CG 4.31Å; A666-W692 HydrophobicContact CB-CZ2 4.21Å; A666-W692 VanDerWaalsContact N-CD1 3.33Å; L669-W692 HydrophobicContact CD2-CB 4.38Å; L669-W692 HydrophobicContact CD2-CD2 4.26Å; L669-W692 HydrophobicContact CD2-CE3 3.5Å; L669-W692 VanDerWaalsContact CD2-CE3 3.5Å; L669-W692 HydrophobicContact CD2-CZ3 4.14Å; H690-W692 PolarHBondContact ND1-N 2.87Å; H690-W692 PolarHBondContact O-N 2.8Å; H690-W692 VanDerWaalsContact O-N 3.14Å; W692-L699 VanDerWaalsContact CD1-CD2 3.49Å; W692-L699 HydrophobicContact CD2-CD1 4.11Å; W692-L699 HydrophobicContact CG-CD1 4.32Å; W692-L699 HydrophobicContact CG-CD2 4.28Å; W692-L699 HydrophobicContact CZ2-CD1 4.1Å; W692-L699 WeakPolarHBondContact O-CD1 3.34Å
693	I	96.9	Very high	93.5	Very high	1 Å²	1	68 Å²	68	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-87.6	-45.8	177.3	-67.5	-70.4	0	0	0	111.2	L534 H535 L669 V687 L688 H690 P691 Q695 R696	L534-I693 HydrophobicContact CB-CD1 4.23Å; L534-I693 HydrophobicContact CD2-CD1 3.96Å; L534-I693 HydrophobicContact CG-CD1 4.32Å; H535-I693 HydrophobicContact CB-CD1 4.45Å; H535-I693 HydrophobicContact CB-CG2 4.19Å; L669-I693 HydrophobicContact CD2-CD1 4.44Å; L669-I693 HydrophobicContact CD2-CG1 3.99Å; V687-I693 HydrophobicContact CG1-CG1 4.5Å; L688-I693 HydrophobicContact CD2-CG2 4.5Å; H690-I693 PolarHBondContact O-N 2.89Å; P691-I693 VanDerWaalsContact C-N 3.26Å; P691-I693 PolarHBondContact O-N 3.35Å; I693-Q695 VanDerWaalsContact C-N 3.29Å; I693-Q695 PolarHBondContact O-N 3.41Å; I693-R696 WeakPolarHBondContact O-CB 3.33Å; I693-R696 PolarHBondContact O-N 2.93Å
694	V	95.5	Very high	93	Very high	88 Å²	88	65.2 Å²	65.2	53%	0.533	32%	0.32	S	S	.	.	H	α-helix	trans	-64.9	-36.2	-178.2	176	0	0	0	0	111.2	L688 H690 P691	L688-V694 WeakPolarHBondContact O-CG2 3.4Å; H690-V694 WeakPolarHBondContact O-CG2 3.34Å; H690-V694 PolarHBondContact O-N 2.91Å; P691-V694 PolarHBondContact O-N 3.21Å
695	Q	93.3	Very high	92.2	Very high	102 Å²	102	69.1 Å²	69.1	48%	0.477	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	25.1	-178.2	-54	-176.9	11.3	0	0	113	P691 I693 D697 K698	P691-Q695 VanDerWaalsContact O-CB 3.26Å; P691-Q695 WeakPolarHBondContact O-CB 3.48Å; P691-Q695 WeakPolarHBondContact O-CG 3.19Å; P691-Q695 PolarHBondContact O-N 2.98Å; I693-Q695 VanDerWaalsContact C-N 3.29Å; I693-Q695 PolarHBondContact O-N 3.41Å; Q695-D697 PolarHBondContact O-N 3.35Å; Q695-K698 WeakPolarHBondContact O-CB 3.41Å; Q695-K698 PolarHBondContact O-N 2.85Å
696	R	91.7	Very high	91.4	Very high	78 Å²	78	66.2 Å²	66.2	29%	0.294	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-51.6	-35.6	-174.2	71.6	-176.9	-176.5	-75.9	-9.8	114.4	S531 I693 K698 L699	S531-R696 VanDerWaalsContact OG-CB 3.24Å; S531-R696 WeakPolarHBondContact OG-CB 3.34Å; I693-R696 WeakPolarHBondContact O-CB 3.33Å; I693-R696 PolarHBondContact O-N 2.93Å; R696-K698 PolarHBondContact O-N 3.37Å; R696-L699 HydrophobicContact CB-CD1 4.33Å; R696-L699 WeakPolarHBondContact O-CB 3.41Å; R696-L699 PolarHBondContact O-N 3.12Å; R696-L699 VanDerWaalsContact O-N 3.09Å
697	D	90.5	Very high	90.3	Very high	106 Å²	106	66.7 Å²	66.7	57%	0.567	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-68.6	-16.9	-178.8	-57	-41.6	0	0	0	113.1	R528 Q695	R528-D697 VanDerWaalsContact CZ-O 3.26Å; R528-D697 PolarHBondContact NH2-O 3.12Å; R528-D697 VanDerWaalsContact NH2-O 3.16Å; Q695-D697 PolarHBondContact O-N 3.35Å
698	K	91	Very high	89.4	Confident	169 Å²	169	70.7 Å²	70.7	74%	0.735	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-95.8	-4.1	176.6	-58.9	-176.3	-179.3	179.7	0	113.1	Q695 R696	Q695-K698 WeakPolarHBondContact O-CB 3.41Å; Q695-K698 PolarHBondContact O-N 2.85Å; R696-K698 PolarHBondContact O-N 3.37Å
699	L	91.7	Very high	88.6	Confident	16 Å²	16	70.8 Å²	70.8	8%	0.084	36%	0.36	C	S	.	.	S	Bend	trans	-70.2	155.9	-178	-68.3	177.3	0	0	0	112.3	E527 R528 W692 R696	E527-L699 HydrophobicContact CB-CB 4.38Å; R528-L699 HydrophobicContact CB-CB 4.19Å; R528-L699 PolarHBondContact NE-O 2.73Å; R528-L699 PolarHBondContact NH2-O 3.3Å; W692-L699 VanDerWaalsContact CD1-CD2 3.49Å; W692-L699 HydrophobicContact CD2-CD1 4.11Å; W692-L699 HydrophobicContact CG-CD1 4.32Å; W692-L699 HydrophobicContact CG-CD2 4.28Å; W692-L699 HydrophobicContact CZ2-CD1 4.1Å; W692-L699 WeakPolarHBondContact O-CD1 3.34Å; R696-L699 HydrophobicContact CB-CD1 4.33Å; R696-L699 WeakPolarHBondContact O-CB 3.41Å; R696-L699 PolarHBondContact O-N 3.12Å; R696-L699 VanDerWaalsContact O-N 3.09Å
700	P	88	Confident	87.8	Confident	51 Å²	51	70.7 Å²	70.7	33%	0.331	36%	0.364	S	S	.	.			trans	-58.1	140.3	175.8	-21.8	32.8	0	0	0	112.3	R528 S702	R528-P700 PolarHBondContact N-O 2.98Å; P700-S702 VanDerWaalsContact C-N 3.32Å; P700-S702 WeakPolarHBondContact CB-OG 3.21Å
701	N	86.1	Confident	87	Confident	100 Å²	100	74.2 Å²	74.2	54%	0.535	38%	0.383	S	S	.	.			trans	-97.2	17.1	168.8	-72.6	-11.1	0	0	0	111.8	R528 Q703	R528-N701 WeakPolarHBondContact CB-OD1 3.17Å; R528-N701 WeakPolarHBondContact CD-OD1 3.25Å; R528-N701 PolarHBondContact NE-OD1 2.6Å; R528-N701 PolarHBondContact NH1-ND2 3.16Å; R528-N701 PolarHBondContact NH2-OD1 3.33Å; N701-Q703 PolarHBondContact O-N 3.33Å
702	S	84.7	Confident	86.3	Confident	52 Å²	52	71 Å²	71	36%	0.364	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-63.5	135.4	176.2	45.4	0	0	0	0	110	S526 P700 L704	S526-S702 WeakPolarHBondContact CB-O 3.19Å; P700-S702 VanDerWaalsContact C-N 3.32Å; P700-S702 WeakPolarHBondContact CB-OG 3.21Å; S702-L704 PolarHBondContact O-N 2.87Å
703	Q	84.9	Confident	85.4	Confident	108 Å²	108	73.3 Å²	73.3	51%	0.505	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-68.4	128.9	179.7	-176.1	-178.1	0.8	0	0	110.5	K523 F524 N701	K523-Q703 PolarHBondContact O-NE2 3.46Å; F524-Q703 HydrophobicContact CD1-CB 4.36Å; F524-Q703 HydrophobicContact CD1-CG 4.12Å; N701-Q703 PolarHBondContact O-N 3.33Å
704	L	84.1	Confident	84.6	Confident	2 Å²	2	74.1 Å²	74.1	1%	0.01	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-96	117.2	171.5	-60.8	168.9	0	0	0	107.9	F525 E527 L626 N658 V662 S702 H706	F525-L704 WeakPolarHBondContact O-CB 3.38Å; F525-L704 PolarHBondContact O-N 3.48Å; E527-L704 HydrophobicContact CG-CD1 4.47Å; L626-L704 HydrophobicContact CD2-CD1 3.88Å; N658-L704 HydrophobicContact CB-CD2 4.12Å; V662-L704 HydrophobicContact CG2-CD2 3.83Å; S702-L704 PolarHBondContact O-N 2.87Å; L704-H706 PolarHBondContact O-CE1 3.42Å; L704-H706 PolarHBondContact O-ND1 2.88Å; L704-H706 VanDerWaalsContact O-ND1 3.1Å
705	P	80.1	Confident	83.9	Confident	83 Å²	83	70.1 Å²	70.1	54%	0.539	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-72.4	143.2	174.1	26.9	-32.9	0	0	0	111.3	N658	N658-P705 PolarHBondContact ND2-O 3.26Å; N658-P705 WeakPolarHBondContact OD1-CD 3.42Å; N658-P705 WeakPolarHBondContact OD1-CG 3.05Å
706	H	78.6	Confident	83.3	Confident	44 Å²	44	65.6 Å²	65.6	20%	0.204	34%	0.335	C	S	.	.			trans	-115	149.4	178.1	-60.9	82.6	0	0	0	111.4	L520 F525 M625 L704	L520-H706 HydrophobicContact CD2-CB 3.85Å; L520-H706 WeakPolarHBondContact CD2-CD2 3.4Å; F525-H706 AromaticContact CD1-CE1 3.83Å; F525-H706 AromaticContact CD1-NE2 3.95Å; M625-H706 PolarHBondContact O-NE2 2.91Å; M625-H706 VanDerWaalsContact O-NE2 3.11Å; L704-H706 PolarHBondContact O-CE1 3.42Å; L704-H706 PolarHBondContact O-ND1 2.88Å; L704-H706 VanDerWaalsContact O-ND1 3.1Å
707	Q	73.4	Confident	82.7	Confident	104 Å²	104	66.9 Å²	66.9	49%	0.486	35%	0.347	S	S	.	.			trans	-75	176.8	171.9	-62.5	-174.5	2.7	0	0	111.4	P709 V712	Q707-P709 WeakPolarHBondContact O-CD 3.3Å; Q707-P709 VanDerWaalsContact O-N 3.15Å; Q707-V712 HydrophobicContact CB-CG2 4.12Å
708	D	79.1	Confident	82.1	Confident	85 Å²	85	62.8 Å²	62.8	46%	0.455	33%	0.328	S	S	.	.			trans	-52	120.6	176	179.7	-2.5	0	0	0	110.6	K710 L711 V712	D708-K710 PolarHBondContact O-N 3.35Å; D708-K710 PolarHBondContact OD1-N 3.29Å; D708-L711 HydrophobicContact CB-CD1 4.13Å; D708-L711 HydrophobicContact CB-CG 4.34Å; D708-L711 PolarHBondContact O-N 2.88Å; D708-V712 PolarHBondContact O-N 3.46Å
709	P	80.3	Confident	81.4	Confident	38 Å²	38	54.8 Å²	54.8	25%	0.247	29%	0.294	C	S	.	.	H	α-helix	trans	-50.7	-33.1	-179.4	-26.4	30.9	0	0	0	114.2	L520 Q707 K713	L520-P709 HydrophobicContact CB-CB 3.98Å; L520-P709 HydrophobicContact CB-CG 3.89Å; L520-P709 HydrophobicContact CD1-CB 4.07Å; Q707-P709 WeakPolarHBondContact O-CD 3.3Å; Q707-P709 VanDerWaalsContact O-N 3.15Å; P709-K713 VanDerWaalsContact O-CB 3.29Å; P709-K713 WeakPolarHBondContact O-CB 3.39Å; P709-K713 PolarHBondContact O-N 3.17Å
710	K	80.9	Confident	80.6	Confident	172 Å²	172	55.6 Å²	55.6	75%	0.748	30%	0.296	S	S	*	.	H	α-helix	trans	-66.7	-41.6	179.8	-69.2	-177.9	179.4	178.2	0	112.6	D708 G714	D708-K710 PolarHBondContact O-N 3.35Å; D708-K710 PolarHBondContact OD1-N 3.29Å; K710-G714 PolarHBondContact O-N 3.27Å
711	L	81.5	Confident	79.8	Confident	88 Å²	88	56 Å²	56	46%	0.461	30%	0.3	S	S	.	.	H	α-helix	trans	-67	-45.9	179.9	-73.8	172.2	0	0	0	111	D708 K713 G714 A715	D708-L711 HydrophobicContact CB-CD1 4.13Å; D708-L711 HydrophobicContact CB-CG 4.34Å; D708-L711 PolarHBondContact O-N 2.88Å; L711-K713 VanDerWaalsContact C-N 3.33Å; L711-K713 PolarHBondContact O-N 2.71Å; L711-G714 PolarHBondContact O-N 2.75Å; L711-A715 WeakPolarHBondContact O-CB 3.38Å; L711-A715 PolarHBondContact O-N 2.55Å
712	V	82	Confident	79	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.012	27%	0.274	C	S	.	.	H	α-helix	trans	-61	-43.7	178.3	-177.5	0	0	0	0	110.8	L516 L520 T624 G628 T630 Q707 D708 M716	L516-V712 HydrophobicContact CD2-CG1 4.31Å; L520-V712 HydrophobicContact CD1-CB 3.87Å; L520-V712 HydrophobicContact CD1-CG1 3.91Å; L520-V712 HydrophobicContact CD1-CG2 4.36Å; T624-V712 HydrophobicContact CG2-CG1 3.48Å; T624-V712 VanDerWaalsContact CG2-CG1 3.48Å; G628-V712 WeakPolarHBondContact O-CG2 3.14Å; T630-V712 HydrophobicContact CG2-CG1 4.48Å; Q707-V712 HydrophobicContact CB-CG2 4.12Å; D708-V712 PolarHBondContact O-N 3.46Å; V712-M716 WeakPolarHBondContact O-CB 3.35Å; V712-M716 PolarHBondContact O-N 3.02Å
713	K	79.9	Confident	78.2	Confident	51 Å²	51	51 Å²	51	22%	0.222	27%	0.269	C	S	.	.	H	α-helix	trans	-67.1	-40.8	179.3	-154.2	175.2	-172.3	175.4	0	111.8	E514 D517 P709 L711 M716 L717	E514-K713 IonicContact OE1-NZ 3.52Å; E514-K713 PolarHBondContact OE1-NZ 3.1Å; E514-K713 WeakPolarHBondContact OE2-CE 3.49Å; E514-K713 IonicContact OE2-NZ 3.28Å; E514-K713 PolarHBondContact OE2-NZ 3.39Å; D517-K713 VanDerWaalsContact CG-NZ 3.3Å; D517-K713 WeakPolarHBondContact OD1-CD 3.33Å; D517-K713 WeakPolarHBondContact OD1-CE 3.45Å; D517-K713 IonicContact OD1-NZ 3.1Å; D517-K713 PolarHBondContact OD1-NZ 3.18Å; D517-K713 VanDerWaalsContact OD1-NZ 3.07Å; D517-K713 IonicContact OD2-NZ 3.87Å; D517-K713 PolarHBondContact OD2-NZ 3.29Å; P709-K713 VanDerWaalsContact O-CB 3.29Å; P709-K713 WeakPolarHBondContact O-CB 3.39Å; P709-K713 PolarHBondContact O-N 3.17Å; L711-K713 VanDerWaalsContact C-N 3.33Å; L711-K713 PolarHBondContact O-N 2.71Å; K713-M716 PolarHBondContact O-N 3.42Å; K713-L717 WeakPolarHBondContact O-CG 3.31Å; K713-L717 PolarHBondContact O-N 3.04Å
714	G	79.2	Confident	77.2	Confident	17 Å²	17	51.3 Å²	51.3	18%	0.175	27%	0.268	C	S	.	.	H	α-helix	trans	-61.2	-48.3	174.6	0	0	0	0	0	113	K710 L711 M716 L717 A718	K710-G714 PolarHBondContact O-N 3.27Å; L711-G714 PolarHBondContact O-N 2.75Å; G714-M716 VanDerWaalsContact C-N 3.29Å; G714-M716 PolarHBondContact O-N 3.07Å; G714-L717 PolarHBondContact O-N 3.11Å; G714-A718 PolarHBondContact O-N 3.09Å
715	A	81.4	Confident	75.9	Confident	4 Å²	4	56.9 Å²	56.9	3%	0.033	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-38	175.9	0	0	0	0	0	112.3	T630 A633 L711 A718 T719	T630-A715 HydrophobicContact CG2-CB 3.92Å; A633-A715 HydrophobicContact CB-CB 3.9Å; A633-A715 WeakPolarHBondContact CB-O 3.43Å; L711-A715 WeakPolarHBondContact O-CB 3.38Å; L711-A715 PolarHBondContact O-N 2.55Å; A715-A718 PolarHBondContact O-N 3.36Å; A715-T719 PolarHBondContact O-N 3.01Å; A715-T719 PolarHBondContact O-OG1 2.83Å
716	M	81.3	Confident	74.6	Confident	7 Å²	7	55.8 Å²	55.8	3%	0.034	29%	0.292	C	S	.	.	H	α-helix	trans	-69.8	-43.2	178.4	-171	131.3	51.3	0	0	112.1	L516 P556 V620 T624 T630 V712 K713 G714 A718 T719 Y720	L516-M716 HydrophobicContact CD1-CE 3.98Å; L516-M716 HydrophobicContact CD2-CE 3.08Å; L516-M716 HydrophobicContact CG-CE 4.06Å; P556-M716 HydrophobicContact CB-CE 4.38Å; P556-M716 HydrophobicContact CG-CE 3.61Å; P556-M716 HydrophobicContact CG-CG 4.49Å; P556-M716 HydrophobicContact CG-SD 3.71Å; V620-M716 HydrophobicContact CG1-SD 4.27Å; T624-M716 HydrophobicContact CG2-CE 3.89Å; T630-M716 HydrophobicContact CG2-CB 3.82Å; T630-M716 HydrophobicContact CG2-SD 4.48Å; V712-M716 WeakPolarHBondContact O-CB 3.35Å; V712-M716 PolarHBondContact O-N 3.02Å; K713-M716 PolarHBondContact O-N 3.42Å; G714-M716 VanDerWaalsContact C-N 3.29Å; G714-M716 PolarHBondContact O-N 3.07Å; M716-A718 VanDerWaalsContact C-N 3.31Å; M716-A718 PolarHBondContact O-N 3.16Å; M716-T719 WeakPolarHBondContact O-CB 3.45Å; M716-T719 PolarHBondContact O-N 3.35Å; M716-T719 VanDerWaalsContact O-N 3.17Å; M716-Y720 HydrophobicContact CG-CD2 3.71Å; M716-Y720 HydrophobicContact CG-CE2 3.41Å; M716-Y720 VanDerWaalsContact CG-CE2 3.41Å; M716-Y720 WeakPolarHBondContact O-CD2 3.15Å; M716-Y720 PolarHBondContact O-N 3.32Å; M716-Y720 HydrophobicContact SD-CE2 3.93Å
717	L	78.3	Confident	73	Confident	105 Å²	105	59.3 Å²	59.3	55%	0.55	31%	0.309	S	S	.	.	H	α-helix	trans	-59.2	-42.3	172.8	-73.8	170.9	0	0	0	111.6	K713 G714 T719 Y720 S721	K713-L717 WeakPolarHBondContact O-CG 3.31Å; K713-L717 PolarHBondContact O-N 3.04Å; G714-L717 PolarHBondContact O-N 3.11Å; L717-T719 VanDerWaalsContact C-N 3.32Å; L717-T719 PolarHBondContact O-N 2.67Å; L717-Y720 PolarHBondContact O-N 3.26Å; L717-S721 WeakPolarHBondContact O-CB 3.29Å; L717-S721 PolarHBondContact O-N 3.46Å
718	A	77.1	Confident	71.1	Confident	20 Å²	20	59.5 Å²	59.5	17%	0.165	32%	0.319	C	S	.	.	H	α-helix	trans	-60	-42.1	174.9	0	0	0	0	0	111.7	I643 G714 A715 M716 S721 A722	I643-A718 HydrophobicContact CD1-CB 3.82Å; G714-A718 PolarHBondContact O-N 3.09Å; A715-A718 PolarHBondContact O-N 3.36Å; M716-A718 VanDerWaalsContact C-N 3.31Å; M716-A718 PolarHBondContact O-N 3.16Å; A718-S721 PolarHBondContact O-N 2.76Å; A718-A722 WeakPolarHBondContact O-CB 3.49Å; A718-A722 PolarHBondContact O-N 3.45Å
719	T	76.6	Confident	68.8	Low	1 Å²	1	61.8 Å²	61.8	1%	0.006	34%	0.336	C	S	.	.	H	α-helix	trans	-61.1	-50.9	177.2	-56.4	0	0	0	0	112.4	A633 I643 I647 A715 M716 L717 S721 A722 L723	A633-T719 WeakPolarHBondContact CB-OG1 3.46Å; I643-T719 HydrophobicContact CG2-CG2 4.35Å; I647-T719 HydrophobicContact CD1-CG2 4.45Å; A715-T719 PolarHBondContact O-N 3.01Å; A715-T719 PolarHBondContact O-OG1 2.83Å; M716-T719 WeakPolarHBondContact O-CB 3.45Å; M716-T719 PolarHBondContact O-N 3.35Å; M716-T719 VanDerWaalsContact O-N 3.17Å; L717-T719 VanDerWaalsContact C-N 3.32Å; L717-T719 PolarHBondContact O-N 2.67Å; T719-S721 PolarHBondContact O-N 2.89Å; T719-A722 PolarHBondContact O-N 2.94Å; T719-L723 HydrophobicContact CG2-CD1 4.49Å; T719-L723 WeakPolarHBondContact O-CG 3.45Å; T719-L723 PolarHBondContact O-N 3.2Å; T719-L723 VanDerWaalsContact O-N 3.17Å
720	Y	74.3	Confident	66.6	Low	34 Å²	34	63.9 Å²	63.9	13%	0.133	35%	0.35	C	S	.	.	H	α-helix	trans	-67.7	-34.6	178.9	-73.8	-73.1	0	0	0	112.5	L554 K555 M716 L717 L723 K724	L554-Y720 WeakPolarHBondContact O-CE1 3.49Å; K555-Y720 HydrophobicContact CB-CD1 4.13Å; K555-Y720 HydrophobicContact CB-CD2 4.08Å; K555-Y720 HydrophobicContact CB-CE1 3.86Å; K555-Y720 HydrophobicContact CB-CE2 3.82Å; K555-Y720 HydrophobicContact CB-CG 4.26Å; M716-Y720 HydrophobicContact CG-CD2 3.71Å; M716-Y720 HydrophobicContact CG-CE2 3.41Å; M716-Y720 VanDerWaalsContact CG-CE2 3.41Å; M716-Y720 WeakPolarHBondContact O-CD2 3.15Å; M716-Y720 PolarHBondContact O-N 3.32Å; M716-Y720 HydrophobicContact SD-CE2 3.93Å; L717-Y720 PolarHBondContact O-N 3.26Å; Y720-L723 PolarHBondContact O-N 3.24Å; Y720-K724 WeakPolarHBondContact O-CB 3.45Å; Y720-K724 PolarHBondContact O-N 3.28Å
721	S	72.3	Confident	64	Low	59 Å²	59	64.8 Å²	64.8	41%	0.413	36%	0.357	S	S	.	.	H	α-helix	trans	-64.5	-44.3	175.4	-173.1	0	0	0	0	111.9	L717 A718 T719 L723 K724 N725	L717-S721 WeakPolarHBondContact O-CB 3.29Å; L717-S721 PolarHBondContact O-N 3.46Å; A718-S721 PolarHBondContact O-N 2.76Å; T719-S721 PolarHBondContact O-N 2.89Å; S721-L723 VanDerWaalsContact C-N 3.35Å; S721-L723 PolarHBondContact O-N 3.09Å; S721-K724 PolarHBondContact O-N 3.38Å; S721-N725 PolarHBondContact O-N 2.65Å; S721-N725 VanDerWaalsContact O-N 3.11Å; S721-N725 PolarHBondContact O-ND2 2.98Å
722	A	69.6	Low	61.8	Low	0 Å²	0	66.6 Å²	66.6	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-61.2	-42.9	176.9	0	0	0	0	0	112	P640 I643 L644 A718 T719 N725 S726	P640-A722 HydrophobicContact CB-CB 3.89Å; I643-A722 HydrophobicContact CB-CB 4.19Å; I643-A722 HydrophobicContact CD1-CB 4.4Å; I643-A722 HydrophobicContact CG2-CB 4.16Å; L644-A722 HydrophobicContact CG-CB 4.27Å; A718-A722 WeakPolarHBondContact O-CB 3.49Å; A718-A722 PolarHBondContact O-N 3.45Å; T719-A722 PolarHBondContact O-N 2.94Å; A722-N725 PolarHBondContact O-N 2.88Å; A722-S726 PolarHBondContact O-N 3.45Å
723	L	67.8	Low	59.4	Low	47 Å²	47	74.3 Å²	74.3	25%	0.246	40%	0.4	C	S	.	.	H	α-helix	trans	-62	-42.9	175.1	-74	171.9	0	0	0	112.2	L644 I647 T719 Y720 S721 N725 S726	L644-L723 HydrophobicContact CD2-CD2 4.38Å; I647-L723 HydrophobicContact CD1-CD1 4.5Å; I647-L723 HydrophobicContact CD1-CD2 3.81Å; I647-L723 HydrophobicContact CD1-CG 4.09Å; T719-L723 HydrophobicContact CG2-CD1 4.49Å; T719-L723 WeakPolarHBondContact O-CG 3.45Å; T719-L723 PolarHBondContact O-N 3.2Å; T719-L723 VanDerWaalsContact O-N 3.17Å; Y720-L723 PolarHBondContact O-N 3.24Å; S721-L723 VanDerWaalsContact C-N 3.35Å; S721-L723 PolarHBondContact O-N 3.09Å; L723-N725 PolarHBondContact O-N 3.3Å; L723-S726 PolarHBondContact O-N 3.22Å; L723-S726 PolarHBondContact O-OG 3.04Å
724	K	64	Low	57.4	Low	114 Å²	114	76 Å²	76	50%	0.496	42%	0.416	S	S	.	.	H	α-helix	trans	-65.2	-36.5	-179.6	-167.1	174.8	-178.6	177.4	0	113	Y720 S721 S726	Y720-K724 WeakPolarHBondContact O-CB 3.45Å; Y720-K724 PolarHBondContact O-N 3.28Å; S721-K724 PolarHBondContact O-N 3.38Å; K724-S726 VanDerWaalsContact C-N 3.3Å; K724-S726 PolarHBondContact O-N 2.85Å
725	N	57.3	Low	55.3	Low	119 Å²	119	82 Å²	82	64%	0.636	44%	0.443	S	S	*	.	H	α-helix	trans	-78	-11.8	-179.6	-68.9	-22.6	0	0	0	114	S721 A722 L723	S721-N725 PolarHBondContact O-N 2.65Å; S721-N725 VanDerWaalsContact O-N 3.11Å; S721-N725 PolarHBondContact O-ND2 2.98Å; A722-N725 PolarHBondContact O-N 2.88Å; L723-N725 PolarHBondContact O-N 3.3Å
726	S	51.8	Low	53.3	Low	60 Å²	60	89 Å²	89	42%	0.42	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-9.8	-176.9	71.4	0	0	0	0	114.9	A722 L723 K724	A722-S726 PolarHBondContact O-N 3.45Å; L723-S726 PolarHBondContact O-N 3.22Å; L723-S726 PolarHBondContact O-OG 3.04Å; K724-S726 VanDerWaalsContact C-N 3.3Å; K724-S726 PolarHBondContact O-N 2.85Å
727	Q	45.7	Very low	51.1	Low	119 Å²	119	91.8 Å²	91.8	56%	0.556	50%	0.495	S	S	*	.	S	Bend	trans	-89	127.5	177.9	-65.9	-169.9	1.2	0	0	110.6	T729	Q727-T729 PolarHBondContact O-N 2.82Å; Q727-T729 VanDerWaalsContact O-N 3.13Å
728	P	33.3	Very low	49.4	Very low	108 Å²	108	89 Å²	89	70%	0.701	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-64.6	118.1	170.9	25.5	-30.3	0	0	0	108.6	P730	P728-P730 WeakPolarHBondContact O-CD 3.15Å
729	T	31	Very low	47.9	Very low	132 Å²	132	92.8 Å²	92.8	81%	0.81	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-61.7	119.2	168.3	10.5	0	0	0	0	107.9	Q727 E731	Q727-T729 PolarHBondContact O-N 2.82Å; Q727-T729 VanDerWaalsContact O-N 3.13Å; T729-E731 PolarHBondContact O-N 3.07Å
730	P	33.2	Very low	46.4	Very low	83 Å²	83	93.1 Å²	93.1	54%	0.539	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-62.3	125.8	165.8	25	-29.2	0	0	0	107.5	P728 L732	P728-P730 WeakPolarHBondContact O-CD 3.15Å; P730-L732 VanDerWaalsContact C-N 3.34Å; P730-L732 PolarHBondContact O-N 3.06Å
731	E	26.1	Very low	44.9	Very low	191 Å²	191	92.4 Å²	92.4	89%	0.893	50%	0.5	S	S	*	.			trans	-63	98.5	168.5	-85.8	-172.8	155.8	0	0	108.6	T729	T729-E731 PolarHBondContact O-N 3.07Å
732	L	35.1	Very low	43.8	Very low	126 Å²	126	93.6 Å²	93.6	66%	0.66	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-77.4	120.7	172.6	-68.5	168.5	0	0	0	108.4	P592 P730	P592-L732 HydrophobicContact CB-CD2 3.88Å; P592-L732 HydrophobicContact CG-CD2 4.06Å; P730-L732 VanDerWaalsContact C-N 3.34Å; P730-L732 PolarHBondContact O-N 3.06Å
733	K	32.7	Very low	42.9	Very low	163 Å²	163	96 Å²	96	71%	0.709	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-70.6	153.4	168	-67.9	-176.7	179.7	179.3	0	109.8	I735	K733-I735 PolarHBondContact O-N 2.95Å
734	P	36.7	Very low	41.7	Very low	88 Å²	88	99 Å²	99	57%	0.571	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-53.7	139.4	177.7	-24.6	33.1	0	0	0	111.9	E736 S737	P734-E736 PolarHBondContact O-N 3.43Å; P734-S737 WeakPolarHBondContact O-CB 3.4Å; P734-S737 PolarHBondContact O-N 2.71Å; P734-S737 PolarHBondContact O-OG 2.69Å
735	I	36.1	Very low	40.9	Very low	142 Å²	142	98.1 Å²	98.1	73%	0.728	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-52.4	-31.4	179.2	-66.7	164.6	0	0	0	111.5	K733 S737 S738 A741	K733-I735 PolarHBondContact O-N 2.95Å; I735-S737 PolarHBondContact O-N 3.31Å; I735-S737 VanDerWaalsContact O-N 3.17Å; I735-S738 VanDerWaalsContact O-CB 3.29Å; I735-S738 WeakPolarHBondContact O-CB 3.48Å; I735-S738 PolarHBondContact O-N 2.98Å; I735-A741 HydrophobicContact CG2-CB 4.15Å; I735-A741 WeakPolarHBondContact O-CB 3.18Å
736	E	38.2	Very low	40.2	Very low	151 Å²	151	100.9 Å²	100.9	71%	0.706	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-59.7	-21.2	177.2	-62.7	163.2	-178.4	0	0	114.3	P734 S738	P734-E736 PolarHBondContact O-N 3.43Å; E736-S738 VanDerWaalsContact C-N 3.3Å
737	S	35.9	Very low	39.7	Very low	66 Å²	66	101.9 Å²	101.9	46%	0.462	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-78.9	-12.1	175.5	67.1	0	0	0	0	113.5	P734 I735	P734-S737 WeakPolarHBondContact O-CB 3.4Å; P734-S737 PolarHBondContact O-N 2.71Å; P734-S737 PolarHBondContact O-OG 2.69Å; I735-S737 PolarHBondContact O-N 3.31Å; I735-S737 VanDerWaalsContact O-N 3.17Å
738	S	42.3	Very low	39	Very low	45 Å²	45	100.5 Å²	100.5	32%	0.315	52%	0.519	S	S	.	.	S	Bend	trans	-73.9	132	174.5	177.2	0	0	0	0	110.9	I735 E736 L740 A741 Q742	I735-S738 VanDerWaalsContact O-CB 3.29Å; I735-S738 WeakPolarHBondContact O-CB 3.48Å; I735-S738 PolarHBondContact O-N 2.98Å; E736-S738 VanDerWaalsContact C-N 3.3Å; S738-L740 PolarHBondContact O-N 3.46Å; S738-L740 PolarHBondContact OG-N 2.88Å; S738-A741 WeakPolarHBondContact O-CB 3.38Å; S738-A741 PolarHBondContact O-N 3.4Å; S738-Q742 PolarHBondContact O-N 3.31Å
739	F	47.1	Very low	38.8	Very low	101 Å²	101	99.3 Å²	99.3	44%	0.443	51%	0.511	S	S	.	.	H	α-helix	trans	-56.9	-34.9	177.6	-162.7	-88.6	0	0	0	112.5	Q281 Q742 R743	Q281-F739 VanDerWaalsContact CD-CE1 3.46Å; Q281-F739 HydrophobicContact CG-CZ 4.36Å; Q281-F739 VanDerWaalsContact NE2-CZ 3.28Å; F739-Q742 PolarHBondContact O-N 3.45Å; F739-R743 PolarHBondContact O-N 3.5Å
740	L	44.7	Very low	38.6	Very low	7 Å²	7	99 Å²	99	4%	0.037	52%	0.515	C	S	.	.	H	α-helix	trans	-66.5	-39.4	174.5	-75.7	157.7	0	0	0	112.2	F168 S738 R743 R744	F168-L740 HydrophobicContact CE2-CD2 3.99Å; F168-L740 HydrophobicContact CZ-CD2 4.4Å; S738-L740 PolarHBondContact O-N 3.46Å; S738-L740 PolarHBondContact OG-N 2.88Å; L740-R743 PolarHBondContact O-N 3.14Å; L740-R744 PolarHBondContact O-N 3.1Å
741	A	41.8	Very low	38.4	Very low	19 Å²	19	100.9 Å²	100.9	16%	0.157	53%	0.525	C	S	.	.	H	α-helix	trans	-67.8	-36.8	176.4	0	0	0	0	0	112.1	I735 S738 R743 R744 V745	I735-A741 HydrophobicContact CG2-CB 4.15Å; I735-A741 WeakPolarHBondContact O-CB 3.18Å; S738-A741 WeakPolarHBondContact O-CB 3.38Å; S738-A741 PolarHBondContact O-N 3.4Å; A741-R743 VanDerWaalsContact C-N 3.3Å; A741-R743 PolarHBondContact O-N 3.08Å; A741-R744 WeakPolarHBondContact O-CA 3.25Å; A741-R744 VanDerWaalsContact O-CB 3.29Å; A741-R744 WeakPolarHBondContact O-CB 3.13Å; A741-R744 PolarHBondContact O-N 3.24Å; A741-V745 PolarHBondContact O-N 3.15Å; A741-V745 VanDerWaalsContact O-N 3.15Å
742	Q	49.8	Very low	38.4	Very low	84 Å²	84	96.1 Å²	96.1	39%	0.393	51%	0.513	S	S	.	.	H	α-helix	trans	-62.9	-34.1	175.5	-67.1	178.2	4.1	0	0	112.9	S738 F739 R744 V745 K746	S738-Q742 PolarHBondContact O-N 3.31Å; F739-Q742 PolarHBondContact O-N 3.45Å; Q742-R744 VanDerWaalsContact C-N 3.3Å; Q742-R744 PolarHBondContact O-N 3.19Å; Q742-V745 PolarHBondContact O-N 3.02Å; Q742-K746 WeakPolarHBondContact O-CG 3.38Å; Q742-K746 PolarHBondContact O-N 3.32Å; Q742-K746 VanDerWaalsContact O-N 3.13Å
743	R	50.6	Low	38	Very low	50 Å²	50	101.6 Å²	101.6	19%	0.189	54%	0.541	C	S	.	.	H	α-helix	trans	-64.9	-33.9	171.7	-108.8	173.8	80.3	-175.7	5.2	112.1	F168 E209 E272 F739 L740 A741 K747	F168-R743 HydrophobicContact CZ-CB 4.27Å; E209-R743 IonicContact OE1-CZ 3.34Å; E209-R743 IonicContact OE1-NE 2.87Å; E209-R743 IonicContact OE1-NH2 3.74Å; E209-R743 PolarHBondContact OE1-NH2 3.44Å; E209-R743 IonicContact OE2-NH2 3.58Å; E209-R743 PolarHBondContact OE2-NH2 2.84Å; E272-R743 IonicContact OE1-CZ 3.6Å; E272-R743 IonicContact OE1-NH1 3.63Å; E272-R743 PolarHBondContact OE1-NH1 2.88Å; F739-R743 PolarHBondContact O-N 3.5Å; L740-R743 PolarHBondContact O-N 3.14Å; A741-R743 VanDerWaalsContact C-N 3.3Å; A741-R743 PolarHBondContact O-N 3.08Å; R743-K747 PolarHBondContact O-N 3.47Å
744	R	43.3	Very low	38.3	Very low	110 Å²	110	98.6 Å²	98.6	42%	0.415	53%	0.533	S	S	.	.	H	α-helix	trans	-68.8	-39.4	177.5	-141.3	175.2	-171.4	172.4	4.1	111.9	L740 A741 Q742 K747	L740-R744 PolarHBondContact O-N 3.1Å; A741-R744 WeakPolarHBondContact O-CA 3.25Å; A741-R744 VanDerWaalsContact O-CB 3.29Å; A741-R744 WeakPolarHBondContact O-CB 3.13Å; A741-R744 PolarHBondContact O-N 3.24Å; Q742-R744 VanDerWaalsContact C-N 3.3Å; Q742-R744 PolarHBondContact O-N 3.19Å; R744-K747 WeakPolarHBondContact O-CB 3.33Å; R744-K747 PolarHBondContact O-N 3.4Å
745	V	45.6	Very low	38.4	Very low	97 Å²	97	99.1 Å²	99.1	59%	0.588	53%	0.531	S	S	*	.	H	α-helix	trans	-68.7	-39	175.8	180	0	0	0	0	111.8	A741 Q742 K747 L748	A741-V745 PolarHBondContact O-N 3.15Å; A741-V745 VanDerWaalsContact O-N 3.15Å; Q742-V745 PolarHBondContact O-N 3.02Å; V745-K747 PolarHBondContact O-N 3.06Å; V745-K747 VanDerWaalsContact O-N 3.12Å; V745-L748 PolarHBondContact O-N 3.03Å
746	K	43.3	Very low	38.5	Very low	177 Å²	177	96.7 Å²	96.7	77%	0.77	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-7.4	174.4	-72.3	179.5	179.8	177.5	0	114.2	Q742	Q742-K746 WeakPolarHBondContact O-CG 3.38Å; Q742-K746 PolarHBondContact O-N 3.32Å; Q742-K746 VanDerWaalsContact O-N 3.13Å
747	K	40.6	Very low	38.5	Very low	81 Å²	81	93.5 Å²	93.5	35%	0.352	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-15.1	177.6	-140.9	-179.7	-169.1	177.6	0	112.6	P2 R743 R744 V745	P2-K747 HydrophobicContact CB-CG 4.38Å; R743-K747 PolarHBondContact O-N 3.47Å; R744-K747 WeakPolarHBondContact O-CB 3.33Å; R744-K747 PolarHBondContact O-N 3.4Å; V745-K747 PolarHBondContact O-N 3.06Å; V745-K747 VanDerWaalsContact O-N 3.12Å
748	L	30.9	Very low	38.7	Very low	89 Å²	89	95.3 Å²	95.3	47%	0.466	51%	0.512	S	S	.	.	S	Bend	trans	-69	125.6	174.5	-78.2	150.6	0	0	0	109.4	V745 S750	V745-L748 PolarHBondContact O-N 3.03Å; L748-S750 PolarHBondContact O-N 2.69Å
749	P	29.3	Very low	38.5	Very low	83 Å²	83	98.6 Å²	98.6	54%	0.539	53%	0.525	S	S	.	.			trans	-60.6	139.1	173.6	24.7	-31.6	0	0	0	109.8	T751	P749-T751 PolarHBondContact O-N 3.4Å
750	S	27.2	Very low	37.8	Very low	126 Å²	126	98.4 Å²	98.4	88%	0.881	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	29.5	179.7	-178.4	0	0	0	0	114.9	L748	L748-S750 PolarHBondContact O-N 2.69Å
751	T	28.6	Very low	37.3	Very low	122 Å²	122	105.5 Å²	105.5	75%	0.748	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.8	16.2	178.7	56.6	0	0	0	0	112.7	P749	P749-T751 PolarHBondContact O-N 3.4Å
752	S	27.7	Very low	36.9	Very low	91 Å²	91	112.7 Å²	112.7	64%	0.636	60%	0.604	S	S	*	*			trans	-121.1	21	-179.9	-57.8	0	0	0	0	114
753	L	26.5	Very low	35.8	Very low	242 Å²	242	115.3 Å²	115.3	100%	1.267	62%	0.623	S	S	*	*			trans	-120.9	0	157.4	-85.3	165.1	0	0	0	108.9

Retrieved 753 of 753 residues in 170.3 ms (Link to these results)

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