A0A087XWT5_POEFO Loading...

ATP binding cassette subfamily G member 4

AlphaFold DB , UniProt , Accession A0A087XWT5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 642 aa.

Structure Viewer

Loading PAE data...

(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	32.9	Very low	29	Very low	250 Å²	250	149.4 Å²	149.4	100%	1.232	86%	0.856	S	S	*	*				0	118.4	0	-78.9	177.2	165.9	0	0	106.8
2	A	31.7	Very low	28.6	Very low	101 Å²	101	145.8 Å²	145.8	84%	0.835	85%	0.847	S	S	*	*			cis	-160.2	150.1	-5.8	0	0	0	0	0	106.1
3	E	31.8	Very low	28.6	Very low	189 Å²	189	146.6 Å²	146.6	88%	0.883	84%	0.844	S	S	*	*			trans	-61.3	151.4	168.8	-73	167.8	127.6	0	0	112.1
4	K	27.9	Very low	28.5	Very low	213 Å²	213	144.6 Å²	144.6	93%	0.926	84%	0.838	S	S	*	*			trans	-163.3	129	136.1	-112	174.2	-175.5	-176.5	0	113
5	T	28.3	Very low	28.2	Very low	120 Å²	120	147.7 Å²	147.7	74%	0.736	85%	0.845	S	S	*	*			trans	-91.6	175.7	175.2	36.7	0	0	0	0	112.9
6	L	28.3	Very low	28.1	Very low	153 Å²	153	150.2 Å²	150.2	80%	0.801	85%	0.847	S	S	*	*			trans	91.7	137.4	166.9	-58.9	134.7	0	0	0	115
7	E	29.4	Very low	28	Very low	167 Å²	167	151.5 Å²	151.5	78%	0.78	85%	0.845	S	S	*	*			cis	-171.4	165.6	-3.2	-98.3	-115.2	146.3	0	0	106.4
8	P	29.7	Very low	27.9	Very low	114 Å²	114	151.1 Å²	151.1	74%	0.74	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-85.5	134.6	-176	33.1	-29.3	0	0	0	113.2	S10	P8-S10 PolarHBondContact O-N 2.82Å
9	G	26.8	Very low	27.8	Very low	81 Å²	81	152.2 Å²	152.2	84%	0.835	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-72.4	121.7	-179.1	0	0	0	0	0	114.1
10	S	26.3	Very low	27.7	Very low	113 Å²	113	152.3 Å²	152.3	79%	0.79	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-81.3	126.2	161.2	55.9	0	0	0	0	110.5	P8	P8-S10 PolarHBondContact O-N 2.82Å
11	V	25.7	Very low	28	Very low	142 Å²	142	150.5 Å²	150.5	86%	0.861	84%	0.835	S	S	*	*			trans	-89.4	110.9	171.5	177.9	0	0	0	0	108.9
12	S	25.1	Very low	27.9	Very low	106 Å²	106	142.7 Å²	142.7	74%	0.741	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-98.2	128.9	170.2	51.9	0	0	0	0	110.4
13	I	27.6	Very low	27.7	Very low	157 Å²	157	141.5 Å²	141.5	81%	0.805	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-85.7	132.7	173	-62.3	169.2	0	0	0	108.5
14	P	27	Very low	27.6	Very low	118 Å²	118	137.2 Å²	137.2	77%	0.766	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-83.9	139.4	-176.4	31.5	-28.5	0	0	0	111.9
15	M	24.5	Very low	27.6	Very low	191 Å²	191	133.1 Å²	133.1	94%	0.941	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-90.7	125.2	162.8	-74.7	-171.6	75.1	0	0	108.8
16	E	26.6	Very low	27.5	Very low	188 Å²	188	136.6 Å²	136.6	88%	0.879	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-98.7	117.7	175.6	-152	165.1	-163.4	0	0	109
17	E	26.4	Very low	27.4	Very low	173 Å²	173	138.5 Å²	138.5	81%	0.808	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-82.5	133.8	170	-76.7	-174	154.4	0	0	109.7
18	T	25.9	Very low	27.2	Very low	143 Å²	143	134.6 Å²	134.6	88%	0.877	82%	0.818	S	S	*	*			trans	-133.2	128.8	162.2	-30.2	0	0	0	0	109.4
19	K	25.8	Very low	27.1	Very low	172 Å²	172	134.6 Å²	134.6	75%	0.748	82%	0.818	S	S	*	*			trans	-97.8	144.5	-171.1	-90.5	-178	177.4	172.8	0	113.3
20	L	27.1	Very low	27.1	Very low	155 Å²	155	138.7 Å²	138.7	81%	0.812	82%	0.819	S	S	*	*			trans	78.2	155.4	147.6	-67.5	151.4	0	0	0	120.4
21	P	32.6	Very low	27.3	Very low	114 Å²	114	141.2 Å²	141.2	74%	0.74	82%	0.823	S	S	*	*			cis	-136.5	159.2	-23.6	34.2	-15.5	0	0	0	115.3
22	G	32	Very low	27.5	Very low	87 Å²	87	140 Å²	140	90%	0.897	82%	0.816	S	S	*	*			trans	75.2	105.1	147.1	0	0	0	0	0	118.8
23	G	27.3	Very low	27.7	Very low	76 Å²	76	143.7 Å²	143.7	78%	0.784	82%	0.821	S	S	*	*			trans	158.3	127	165.7	0	0	0	0	0	111.5
24	A	29.2	Very low	27.7	Very low	98 Å²	98	144.3 Å²	144.3	81%	0.81	83%	0.825	S	S	*	*			trans	-54.1	144.4	-175	0	0	0	0	0	113.4	Q26	A24-Q26 PolarHBondContact O-N 3.16Å
25	P	27.8	Very low	27.7	Very low	127 Å²	127	147 Å²	147	83%	0.825	83%	0.825	S	S	*	*			trans	-79.1	112.7	175.7	15.3	-3.1	0	0	0	110.5
26	Q	26.6	Very low	28.1	Very low	193 Å²	193	145.6 Å²	145.6	90%	0.902	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-74.1	120.5	151.5	-82.7	177.2	-17.9	0	0	107.8	A24 A28	A24-Q26 PolarHBondContact O-N 3.16Å; Q26-A28 PolarHBondContact O-N 2.91Å
27	E	26.6	Very low	28.6	Very low	194 Å²	194	140.1 Å²	140.1	91%	0.907	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-63.7	119	171.9	-72	179.2	154.1	0	0	110.1
28	A	25.5	Very low	29.1	Very low	85 Å²	85	136.6 Å²	136.6	70%	0.702	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-88.3	132.4	168.4	0	0	0	0	0	109.7	Q26 L30	Q26-A28 PolarHBondContact O-N 2.91Å; A28-L30 PolarHBondContact O-N 3.05Å
29	P	26.5	Very low	29.8	Very low	114 Å²	114	131.5 Å²	131.5	74%	0.74	74%	0.744	S	S	*	*			trans	-86.7	102	-177.2	33.4	-29.7	0	0	0	109.9
30	L	27.4	Very low	30.4	Very low	167 Å²	167	129.3 Å²	129.3	87%	0.874	74%	0.736	S	S	*	*			trans	-119.1	65.4	167.8	-89.4	168.6	0	0	0	109.7	A28	A28-L30 PolarHBondContact O-N 3.05Å
31	L	29.4	Very low	31.4	Very low	166 Å²	166	124 Å²	124	87%	0.869	71%	0.708	S	S	*	*			trans	-157.2	53.3	169.9	-109.7	167.9	0	0	0	110.7
32	T	31.7	Very low	31.8	Very low	115 Å²	115	122.2 Å²	122.2	71%	0.706	70%	0.695	S	S	*	*			trans	-129.7	92.6	171	34.7	0	0	0	0	108.3
33	H	28.3	Very low	32.1	Very low	185 Å²	185	127.6 Å²	127.6	86%	0.856	70%	0.697	S	S	*	*			trans	178.6	28.4	142.5	-103.8	-73.5	0	0	0	115.7
34	L	27.7	Very low	32.4	Very low	169 Å²	169	128.1 Å²	128.1	89%	0.885	69%	0.694	S	S	*	*			trans	-100.6	89.2	160.8	-72	172.1	0	0	0	108.8	K36	L34-K36 VanDerWaalsContact C-N 3.31Å; L34-K36 PolarHBondContact O-N 2.91Å
35	K	27.5	Very low	33.1	Very low	175 Å²	175	126.8 Å²	126.8	76%	0.761	67%	0.671	S	S	*	*			trans	-59.4	98.2	165.3	-103.5	-176	173.1	-175.2	0	107.5	V37	K35-V37 PolarHBondContact O-N 2.92Å
36	K	33	Very low	34.3	Very low	162 Å²	162	130.5 Å²	130.5	70%	0.704	67%	0.668	S	S	*	*			trans	-62.8	103.9	167.8	-161.5	-179.6	176.7	-158.4	0	106.3	L34 E38	L34-K36 VanDerWaalsContact C-N 3.31Å; L34-K36 PolarHBondContact O-N 2.91Å; K36-E38 HydrophobicContact CB-CG 4.27Å; K36-E38 HydrophobicContact CD-CG 3.79Å; K36-E38 WeakPolarHBondContact CD-OE1 3.33Å; K36-E38 VanDerWaalsContact CE-OE1 3.27Å; K36-E38 WeakPolarHBondContact CE-OE1 3.48Å; K36-E38 HydrophobicContact CG-CG 3.76Å; K36-E38 IonicContact NZ-OE1 2.65Å; K36-E38 PolarHBondContact NZ-OE1 2.83Å; K36-E38 PolarHBondContact O-N 2.87Å
37	V	37.2	Very low	36	Very low	73 Å²	73	123 Å²	123	44%	0.442	63%	0.633	S	S	.	*			trans	-71	86.1	166.5	-179.1	0	0	0	0	105.4	K35 N39	K35-V37 PolarHBondContact O-N 2.92Å; V37-N39 PolarHBondContact O-N 2.97Å
38	E	35.7	Very low	37.4	Very low	98 Å²	98	118.7 Å²	118.7	46%	0.458	62%	0.623	S	S	.	*			trans	-71.3	108.4	171.8	-66.5	-172.2	149.9	0	0	107.1	K36 H40	K36-E38 HydrophobicContact CB-CG 4.27Å; K36-E38 HydrophobicContact CD-CG 3.79Å; K36-E38 WeakPolarHBondContact CD-OE1 3.33Å; K36-E38 VanDerWaalsContact CE-OE1 3.27Å; K36-E38 WeakPolarHBondContact CE-OE1 3.48Å; K36-E38 HydrophobicContact CG-CG 3.76Å; K36-E38 IonicContact NZ-OE1 2.65Å; K36-E38 PolarHBondContact NZ-OE1 2.83Å; K36-E38 PolarHBondContact O-N 2.87Å; E38-H40 VanDerWaalsContact CB-CD2 3.41Å; E38-H40 WeakPolarHBondContact CB-CD2 3.3Å; E38-H40 PolarHBondContact O-N 3.47Å; E38-H40 IonicContact OE2-CD2 3.37Å; E38-H40 PolarHBondContact OE2-CD2 3.23Å; E38-H40 IonicContact OE2-CE1 2.75Å; E38-H40 IonicContact OE2-NE2 2.6Å; E38-H40 PolarHBondContact OE2-NE2 2.71Å
39	N	41.8	Very low	39.2	Very low	37 Å²	37	119 Å²	119	20%	0.198	61%	0.61	C	S	.	*			trans	-70	66.8	168.2	-69.7	-19.1	0	0	0	108.5	V37 I41	V37-N39 PolarHBondContact O-N 2.97Å; N39-I41 PolarHBondContact O-N 3.13Å
40	H	38.3	Very low	41.2	Very low	125 Å²	125	114.1 Å²	114.1	58%	0.579	58%	0.577	S	S	*	*			trans	-74.3	73.8	167.5	-72.7	-63.2	0	0	0	108.2	E38 T42	E38-H40 VanDerWaalsContact CB-CD2 3.41Å; E38-H40 WeakPolarHBondContact CB-CD2 3.3Å; E38-H40 PolarHBondContact O-N 3.47Å; E38-H40 IonicContact OE2-CD2 3.37Å; E38-H40 PolarHBondContact OE2-CD2 3.23Å; E38-H40 IonicContact OE2-CE1 2.75Å; E38-H40 IonicContact OE2-NE2 2.6Å; E38-H40 PolarHBondContact OE2-NE2 2.71Å; H40-T42 HydrophobicContact CB-CG2 4.45Å; H40-T42 PolarHBondContact O-N 3.32Å
41	I	48.1	Very low	43	Very low	44 Å²	44	108.3 Å²	108.3	23%	0.226	55%	0.549	C	S	.	.			trans	-69.1	81	153.3	-57.6	171.6	0	0	0	104.2	N39 Q45 L239	N39-I41 PolarHBondContact O-N 3.13Å; I41-Q45 HydrophobicContact CG2-CB 4.46Å; I41-L239 HydrophobicContact CD1-CD1 3.86Å
42	T	39.6	Very low	44.8	Very low	77 Å²	77	112.1 Å²	112.1	47%	0.472	55%	0.552	S	S	.	*			trans	-57.1	147.7	169.7	36.6	0	0	0	0	107.7	H40 A44 Q45	H40-T42 HydrophobicContact CB-CG2 4.45Å; H40-T42 PolarHBondContact O-N 3.32Å; T42-A44 PolarHBondContact O-N 3.45Å; T42-Q45 PolarHBondContact O-N 2.91Å
43	E	39	Very low	46.8	Very low	199 Å²	199	112.3 Å²	112.3	93%	0.93	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-14.5	173.5	-67.7	-176.6	144.8	0	0	113.2
44	A	32.6	Very low	49.2	Very low	87 Å²	87	107.5 Å²	107.5	72%	0.719	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.6	175	0	0	0	0	0	115.9	T42 R46	T42-A44 PolarHBondContact O-N 3.45Å; A44-R46 PolarHBondContact O-N 2.84Å; A44-R46 VanDerWaalsContact O-N 3.14Å
45	Q	45.7	Very low	52	Low	70 Å²	70	101.7 Å²	101.7	33%	0.327	50%	0.503	S	S	.	.			trans	-89.2	59.5	172.5	-72.6	-174.5	-9.1	0	0	110.9	I41 T42 F47	I41-Q45 HydrophobicContact CG2-CB 4.46Å; T42-Q45 PolarHBondContact O-N 2.91Å; Q45-F47 PolarHBondContact O-N 3.33Å; Q45-F47 VanDerWaalsContact O-N 3.13Å
46	R	52.8	Low	54.8	Low	206 Å²	206	93.4 Å²	93.4	78%	0.777	47%	0.468	S	S	*	.			trans	-61.8	116.8	155	-79.1	-177.6	179.5	165.2	1.9	105.5	A44 C48	A44-R46 PolarHBondContact O-N 2.84Å; A44-R46 VanDerWaalsContact O-N 3.14Å; R46-C48 VanDerWaalsContact C-N 3.3Å; R46-C48 PolarHBondContact O-N 3.39Å; R46-C48 PolarHBondContact O-SG 3.41Å
47	F	62.5	Low	57.6	Low	36 Å²	36	87.2 Å²	87.2	16%	0.158	44%	0.442	C	S	.	.			trans	-55.2	96.7	173.3	-65.3	-82.8	0	0	0	109.4	Q45 H49 L50 E180 I181 A184 L243	Q45-F47 PolarHBondContact O-N 3.33Å; Q45-F47 VanDerWaalsContact O-N 3.13Å; F47-H49 VanDerWaalsContact C-N 3.26Å; F47-H49 PolarHBondContact O-N 3.13Å; F47-L50 HydrophobicContact CB-CB 3.68Å; F47-L50 HydrophobicContact CB-CD1 3.32Å; F47-L50 HydrophobicContact CB-CG 3.49Å; F47-L50 VanDerWaalsContact CB-CG 3.49Å; F47-L50 HydrophobicContact CD1-CD1 3.67Å; F47-L50 HydrophobicContact CD1-CG 4.19Å; F47-L50 HydrophobicContact CD2-CD1 3.64Å; F47-L50 HydrophobicContact CE1-CD1 4.35Å; F47-L50 HydrophobicContact CE2-CD1 4.33Å; F47-L50 HydrophobicContact CG-CD1 3.26Å; F47-L50 HydrophobicContact CG-CG 3.93Å; F47-L50 PolarHBondContact O-N 2.76Å; F47-E180 WeakPolarHBondContact CA-OE1 3.39Å; F47-E180 HydrophobicContact CD1-CG 4.26Å; F47-I181 HydrophobicContact CE1-CG1 4.38Å; F47-A184 HydrophobicContact CE1-CB 3.82Å; F47-A184 HydrophobicContact CZ-CB 4.11Å; F47-L243 HydrophobicContact CE2-CD2 4.31Å; F47-L243 HydrophobicContact CZ-CD2 4.44Å
48	C	54.1	Low	60.3	Low	103 Å²	103	83.8 Å²	83.8	70%	0.696	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-31.6	-167.5	-79.7	0	0	0	0	110.5	R46 E180	R46-C48 VanDerWaalsContact C-N 3.3Å; R46-C48 PolarHBondContact O-N 3.39Å; R46-C48 PolarHBondContact O-SG 3.41Å; C48-E180 PolarHBondContact N-OE1 3.17Å
49	H	64.9	Low	63.1	Low	92 Å²	92	81.8 Å²	81.8	43%	0.426	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-2.7	-177.9	-62.7	-81.4	0	0	0	113.7	F47 E176 L177 E180	F47-H49 VanDerWaalsContact C-N 3.26Å; F47-H49 PolarHBondContact O-N 3.13Å; H49-E176 IonicContact CE1-OE2 3.99Å; H49-L177 HydrophobicContact CB-CB 4.27Å; H49-L177 HydrophobicContact CB-CD1 3.94Å; H49-E180 IonicContact CD2-OE2 3.61Å
50	L	68	Low	65.6	Low	10 Å²	10	80 Å²	80	5%	0.052	40%	0.402	C	S	.	.	S	Bend	trans	-75.6	139.9	176	-80.3	-177.8	0	0	0	111	F47 R52 L177 I181 L212 N215	F47-L50 HydrophobicContact CB-CB 3.68Å; F47-L50 HydrophobicContact CB-CD1 3.32Å; F47-L50 HydrophobicContact CB-CG 3.49Å; F47-L50 VanDerWaalsContact CB-CG 3.49Å; F47-L50 HydrophobicContact CD1-CD1 3.67Å; F47-L50 HydrophobicContact CD1-CG 4.19Å; F47-L50 HydrophobicContact CD2-CD1 3.64Å; F47-L50 HydrophobicContact CE1-CD1 4.35Å; F47-L50 HydrophobicContact CE2-CD1 4.33Å; F47-L50 HydrophobicContact CG-CD1 3.26Å; F47-L50 HydrophobicContact CG-CG 3.93Å; F47-L50 PolarHBondContact O-N 2.76Å; L50-R52 PolarHBondContact O-N 3.35Å; L50-L177 HydrophobicContact CD2-CD1 3.52Å; L50-L177 HydrophobicContact CD2-CD2 4.18Å; L50-L177 HydrophobicContact CD2-CG 4.35Å; L50-L177 HydrophobicContact CG-CD1 3.8Å; L50-I181 HydrophobicContact CD2-CD1 4.3Å; L50-L212 WeakPolarHBondContact CD2-O 3.19Å; L50-N215 HydrophobicContact CB-CB 4.06Å; L50-N215 HydrophobicContact CD1-CB 4.13Å; L50-N215 HydrophobicContact CD2-CB 4.06Å; L50-N215 HydrophobicContact CG-CB 4.32Å
51	P	65.3	Low	68.2	Low	45 Å²	45	76.5 Å²	76.5	29%	0.292	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-60.5	126.9	175.3	22.8	-30.7	0	0	0	109.8	R53 N215	P51-R53 PolarHBondContact O-N 2.97Å; P51-N215 HydrophobicContact CG-CB 3.93Å; P51-N215 WeakPolarHBondContact O-CB 3.39Å; P51-N215 PolarHBondContact O-ND2 3.02Å
52	R	67.8	Low	70.2	Confident	247 Å²	247	81 Å²	81	93%	0.932	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-68.3	132	177.6	-66.6	-175	-178.9	-178.5	2.2	109.6	L50	L50-R52 PolarHBondContact O-N 3.35Å
53	R	73.9	Confident	72.7	Confident	119 Å²	119	77.3 Å²	77.3	45%	0.449	39%	0.385	S	S	.	.			trans	-126.2	144.7	176.5	-63.2	-70	-167.7	172	-1.9	109.1	P51 N214 N215 P217	P51-R53 PolarHBondContact O-N 2.97Å; R53-N214 PolarHBondContact NH2-OD1 3.07Å; R53-N215 WeakPolarHBondContact CG-O 3.49Å; R53-P217 HydrophobicContact CB-CB 4.35Å; R53-P217 HydrophobicContact CB-CG 4.3Å
54	S	78.8	Confident	75.2	Confident	84 Å²	84	69 Å²	69	59%	0.587	35%	0.349	S	S	*	.			trans	-66.2	147.1	172.9	56	0	0	0	0	110.5
55	A	85	Confident	78	Confident	46 Å²	46	65.6 Å²	65.6	38%	0.38	32%	0.318	S	S	.	.			trans	-57.2	144.4	169.2	0	0	0	0	0	111.2	N127	A55-N127 PolarHBondContact O-ND2 2.85Å; A55-N127 VanDerWaalsContact O-ND2 3.08Å
56	V	87.9	Confident	80.2	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.012	32%	0.317	C	S	.	.			trans	-129.1	111.5	-177.2	177.9	0	0	0	0	110.5	V126 N127 P217 V218 T249	V56-V126 HydrophobicContact CG1-CG1 3.51Å; V56-N127 WeakPolarHBondContact CA-OD1 3.45Å; V56-P217 HydrophobicContact CB-CB 4.29Å; V56-P217 HydrophobicContact CG2-CB 3.8Å; V56-P217 HydrophobicContact CG2-CG 3.72Å; V56-V218 HydrophobicContact CB-CG2 3.69Å; V56-V218 HydrophobicContact CG1-CG2 3.56Å; V56-V218 HydrophobicContact CG2-CG2 4.46Å; V56-T249 PolarHBondContact O-OG1 2.96Å
57	D	91.7	Very high	81.8	Confident	32 Å²	32	57.3 Å²	57.3	17%	0.171	29%	0.293	C	S	.	.			trans	-89.1	138.3	169.5	-68	-3.5	0	0	0	109.8	R88 F89 C90 S91 V126 N127	D57-R88 IonicContact OD2-CZ 3.84Å; D57-R88 IonicContact OD2-NE 3.94Å; D57-R88 IonicContact OD2-NH2 2.87Å; D57-R88 PolarHBondContact OD2-NH2 3.13Å; D57-F89 WeakPolarHBondContact CA-O 3.48Å; D57-C90 WeakPolarHBondContact OD1-CA 3.47Å; D57-S91 PolarHBondContact OD1-N 2.92Å; D57-S91 PolarHBondContact OD1-OG 3.21Å; D57-V126 WeakPolarHBondContact O-CA 3.35Å; D57-N127 PolarHBondContact N-OD1 3.32Å; D57-N127 PolarHBondContact O-N 2.86Å
58	L	93	Very high	82.7	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	127	178.2	-84.7	161.1	0	0	0	110.2	R88 F89 I124 V126 F136 V218 F220 M251	L58-R88 CarbonylContact O-C 3.55Å; L58-R88 WeakPolarHBondContact O-CA 3.5Å; L58-F89 HydrophobicContact CB-CB 4.49Å; L58-F89 PolarHBondContact N-O 3.14Å; L58-F89 PolarHBondContact O-N 2.87Å; L58-I124 HydrophobicContact CD2-CG2 4.21Å; L58-V126 HydrophobicContact CD2-CG2 3.9Å; L58-F136 HydrophobicContact CD1-CE2 4.01Å; L58-F136 HydrophobicContact CD1-CZ 3.85Å; L58-F136 HydrophobicContact CD2-CE2 3.69Å; L58-F136 HydrophobicContact CD2-CZ 3.89Å; L58-F136 HydrophobicContact CG-CE2 4.25Å; L58-F136 HydrophobicContact CG-CZ 4.45Å; L58-V218 HydrophobicContact CD1-CB 4.49Å; L58-V218 HydrophobicContact CD1-CG1 3.61Å; L58-V218 HydrophobicContact CD1-CG2 4.05Å; L58-F220 HydrophobicContact CD1-CZ 4.23Å; L58-M251 HydrophobicContact CB-CE 4Å; L58-M251 HydrophobicContact CD1-CE 3.31Å; L58-M251 HydrophobicContact CG-CE 4.27Å
59	E	94.2	Very high	83.8	Confident	55 Å²	55	60.1 Å²	60.1	26%	0.257	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	139.6	175.7	-178.3	-176.4	154.1	0	0	109	N61 G87 R88 I124 L125	E59-N61 PolarHBondContact OE1-ND2 3.42Å; E59-G87 WeakPolarHBondContact CA-O 3.35Å; E59-R88 HydrophobicContact CB-CB 4.45Å; E59-R88 HydrophobicContact CB-CG 4.31Å; E59-R88 HydrophobicContact CG-CB 4.37Å; E59-I124 CarbonylContact O-C 3.56Å; E59-I124 WeakPolarHBondContact O-CA 3.43Å; E59-L125 HydrophobicContact CB-CB 4.23Å; E59-L125 PolarHBondContact N-O 3.24Å; E59-L125 PolarHBondContact O-N 3.48Å
60	F	94.3	Very high	83.6	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	134.7	176.6	56.5	-85.2	0	0	0	108.9	L63 L85 S86 G87 F89 L112 T123 I124 Y269	F60-L63 HydrophobicContact CB-CD1 4.38Å; F60-L63 HydrophobicContact CD2-CB 4.28Å; F60-L85 HydrophobicContact CD2-CB 4.45Å; F60-L85 WeakPolarHBondContact CD2-O 3.16Å; F60-L85 HydrophobicContact CE2-CB 4.07Å; F60-S86 VanDerWaalsContact CE2-C 3.49Å; F60-S86 CarbonylContact O-C 3.54Å; F60-S86 WeakPolarHBondContact O-CA 3.2Å; F60-G87 WeakPolarHBondContact CD1-O 3.38Å; F60-G87 PolarHBondContact N-O 3.42Å; F60-G87 PolarHBondContact O-N 3.25Å; F60-F89 HydrophobicContact CD1-CE2 4.49Å; F60-F89 AromaticContact CE1-CD2 4Å; F60-F89 HydrophobicContact CE1-CD2 4Å; F60-F89 HydrophobicContact CE1-CE1 4.4Å; F60-F89 AromaticContact CE1-CE2 3.53Å; F60-F89 HydrophobicContact CE1-CE2 3.53Å; F60-F89 AromaticContact CE1-CZ 3.75Å; F60-F89 HydrophobicContact CE1-CZ 3.75Å; F60-F89 HydrophobicContact CZ-CE2 4.18Å; F60-F89 HydrophobicContact CZ-CZ 4.01Å; F60-L112 HydrophobicContact CB-CD2 4.17Å; F60-L112 HydrophobicContact CD1-CD2 3.77Å; F60-L112 HydrophobicContact CE1-CD1 4.45Å; F60-L112 HydrophobicContact CE1-CD2 4.42Å; F60-L112 HydrophobicContact CG-CD2 4.06Å; F60-T123 WeakPolarHBondContact CA-O 3.42Å; F60-I124 HydrophobicContact CB-CG1 4.09Å; F60-Y269 HydrophobicContact CE2-CE2 4.38Å; F60-Y269 AromaticContact CE2-CZ 3.96Å; F60-Y269 WeakPolarHBondContact CE2-OH 3.48Å; F60-Y269 HydrophobicContact CZ-CE1 4.35Å; F60-Y269 AromaticContact CZ-CE2 3.82Å; F60-Y269 HydrophobicContact CZ-CE2 3.82Å; F60-Y269 AromaticContact CZ-CZ 3.73Å
61	N	92.3	Very high	83.4	Confident	51 Å²	51	61.1 Å²	61.1	27%	0.273	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.8	-173.9	-66.9	-33.3	0	0	0	109.8	E59 L63 G122 T123	E59-N61 PolarHBondContact OE1-ND2 3.42Å; N61-L63 PolarHBondContact O-N 3.11Å; N61-G122 WeakPolarHBondContact O-CA 3.15Å; N61-T123 PolarHBondContact N-O 3.28Å; N61-T123 PolarHBondContact O-N 3.24Å; N61-T123 VanDerWaalsContact O-N 3.08Å
62	E	91	Very high	83.1	Confident	139 Å²	139	68.7 Å²	68.7	65%	0.65	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.5	38.1	176.3	-58.8	-173.7	165.7	0	0	113.8	S64 L85 S86	E62-S64 PolarHBondContact O-N 3.29Å; E62-L85 PolarHBondContact N-O 3.13Å; E62-S86 PolarHBondContact N-OG 2.75Å
63	L	91.9	Very high	82.9	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	118.8	-176.3	-167.6	121.5	0	0	0	110.6	F60 N61 L82 C84 L85 L108 I111 M120 K121 I124	F60-L63 HydrophobicContact CB-CD1 4.38Å; F60-L63 HydrophobicContact CD2-CB 4.28Å; N61-L63 PolarHBondContact O-N 3.11Å; L63-L82 HydrophobicContact CD2-CD1 3.78Å; L63-C84 CarbonylContact O-C 3.57Å; L63-C84 WeakPolarHBondContact O-CA 3.32Å; L63-C84 PolarHBondContact O-N 3.42Å; L63-L85 HydrophobicContact CB-CB 4.34Å; L63-L85 WeakPolarHBondContact CB-O 3.35Å; L63-L85 PolarHBondContact N-O 2.77Å; L63-L85 PolarHBondContact O-N 3.41Å; L63-L108 HydrophobicContact CD2-CD1 3.89Å; L63-I111 HydrophobicContact CD1-CG2 3.78Å; L63-I111 HydrophobicContact CD2-CD1 4.31Å; L63-I111 HydrophobicContact CD2-CG2 4.07Å; L63-I111 HydrophobicContact CG-CG2 4.38Å; L63-M120 HydrophobicContact CD1-CE 4.14Å; L63-M120 HydrophobicContact CD1-CG 4.34Å; L63-M120 HydrophobicContact CD1-SD 4.4Å; L63-M120 HydrophobicContact CG-CG 4.5Å; L63-K121 WeakPolarHBondContact CA-O 3.32Å; L63-I124 HydrophobicContact CD1-CD1 3.73Å; L63-I124 HydrophobicContact CD1-CG1 3.74Å
64	S	92.4	Very high	82.2	Confident	24 Å²	24	70.5 Å²	70.5	17%	0.168	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	146.4	174.4	50	0	0	0	0	110.8	E62 L82 M120 K121	E62-S64 PolarHBondContact O-N 3.29Å; S64-L82 WeakPolarHBondContact CA-O 3.2Å; S64-L82 WeakPolarHBondContact CB-O 3.38Å; S64-M120 WeakPolarHBondContact O-CA 3.41Å; S64-K121 PolarHBondContact N-O 2.77Å; S64-K121 PolarHBondContact O-N 2.62Å; S64-K121 WeakPolarHBondContact OG-CB 3.47Å
65	Y	91.7	Very high	81.2	Confident	16 Å²	16	76.4 Å²	76.4	6%	0.063	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	125.4	-176.1	-176.5	-112.6	0	0	0	110.7	I67 L81 L82 T107 I111 T118 M120	Y65-I67 HydrophobicContact CD1-CG2 4.11Å; Y65-I67 HydrophobicContact CE1-CG2 3.3Å; Y65-L81 HydrophobicContact CD1-CB 4.16Å; Y65-L81 HydrophobicContact CD1-CD1 4.02Å; Y65-L81 HydrophobicContact CD1-CG 4.43Å; Y65-L81 HydrophobicContact CE1-CD1 3.97Å; Y65-L81 PolarHBondContact O-N 3.08Å; Y65-L82 PolarHBondContact N-O 2.77Å; Y65-L82 PolarHBondContact O-N 3.24Å; Y65-T107 HydrophobicContact CD1-CG2 3.56Å; Y65-T107 HydrophobicContact CE1-CG2 3.86Å; Y65-T107 HydrophobicContact CG-CG2 4.45Å; Y65-I111 HydrophobicContact CD1-CD1 4.08Å; Y65-I111 HydrophobicContact CD2-CD1 3.83Å; Y65-I111 HydrophobicContact CD2-CG1 4.49Å; Y65-I111 HydrophobicContact CG-CD1 3.58Å; Y65-T118 VanDerWaalsContact CE2-O 3.32Å; Y65-T118 WeakPolarHBondContact CE2-O 3.33Å; Y65-M120 HydrophobicContact CD2-CB 4.26Å
66	T	90.1	Very high	80.1	Confident	51 Å²	51	83 Å²	83	31%	0.313	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	133.4	178.2	57.5	0	0	0	0	110.5	K79 A80 G119	T66-K79 WeakPolarHBondContact CA-O 3.4Å; T66-A80 HydrophobicContact CG2-CB 4.07Å; T66-G119 PolarHBondContact N-O 3.27Å
67	I	87.3	Confident	79.7	Confident	51 Å²	51	84.6 Å²	84.6	26%	0.262	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	152.5	171.5	62	164.1	0	0	0	110	Y65 Y78 K79 L81	Y65-I67 HydrophobicContact CD1-CG2 4.11Å; Y65-I67 HydrophobicContact CE1-CG2 3.3Å; I67-Y78 CarbonylContact O-C 3.55Å; I67-Y78 VanDerWaalsContact O-CA 3.27Å; I67-Y78 WeakPolarHBondContact O-CA 3.2Å; I67-K79 HydrophobicContact CG1-CB 4.13Å; I67-K79 PolarHBondContact N-O 2.74Å; I67-K79 PolarHBondContact O-N 3.24Å; I67-L81 HydrophobicContact CB-CD1 4.45Å; I67-L81 HydrophobicContact CD1-CD1 3.97Å; I67-L81 HydrophobicContact CD1-CD2 4.05Å; I67-L81 HydrophobicContact CD1-CG 4.17Å; I67-L81 HydrophobicContact CG1-CD1 4.06Å; I67-L81 HydrophobicContact CG1-CD2 4.2Å; I67-L81 HydrophobicContact CG1-CG 3.95Å; I67-L81 HydrophobicContact CG2-CD1 3.58Å; I67-L81 HydrophobicContact CG2-CG 4.15Å
68	R	81.4	Confident	79.2	Confident	123 Å²	123	91.3 Å²	91.3	46%	0.464	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	130	172.7	-175.9	174.5	169.3	-175.5	-7.2	109.5	Y78	R68-Y78 HydrophobicContact CB-CD1 4.33Å; R68-Y78 HydrophobicContact CB-CE1 4.16Å
69	E	76.8	Confident	78.8	Confident	74 Å²	74	96.3 Å²	96.3	35%	0.346	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	138.3	176	-74.8	-165	154.7	0	0	112.5	R76 G77 K79	E69-R76 HydrophobicContact CB-CB 4.21Å; E69-R76 PolarHBondContact O-N 3.45Å; E69-G77 PolarHBondContact N-O 3.46Å; E69-K79 HydrophobicContact CG-CB 3.82Å; E69-K79 WeakPolarHBondContact OE1-CD 3.4Å
70	G	61.5	Low	78.4	Confident	40 Å²	40	96 Å²	96	41%	0.412	44%	0.436	S	S	.	.	S	Bend	trans	111	156.4	170.9	0	0	0	0	0	114.3
71	P	62.9	Low	78.2	Confident	83 Å²	83	97.9 Å²	97.9	54%	0.539	45%	0.447	S	S	.	.			trans	-55.4	154.9	169.1	-19.1	30.3	0	0	0	110.4	W73 R74	P71-W73 PolarHBondContact O-N 2.85Å; P71-R74 CarbonylContact O-C 3.55Å; P71-R74 PolarHBondContact O-N 3.06Å
72	W	60.2	Low	78.2	Confident	205 Å²	205	95.5 Å²	95.5	78%	0.777	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-29.5	178.3	-175.9	57.6	0	0	0	113.5
73	W	63.6	Low	78.2	Confident	226 Å²	226	92.8 Å²	92.8	86%	0.856	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-17.4	-175.4	-43.3	70.8	0	0	0	114.7	P71	P71-W73 PolarHBondContact O-N 2.85Å
74	R	57.5	Low	78	Confident	177 Å²	177	96.1 Å²	96.1	67%	0.668	44%	0.442	S	S	*	.	S	Bend	trans	-140.1	100.1	-179	-170	176.9	-89.4	-175.8	-7.6	110.3	P71 R76	P71-R74 CarbonylContact O-C 3.55Å; P71-R74 PolarHBondContact O-N 3.06Å; R74-R76 PolarHBondContact O-N 3.34Å
75	R	57.9	Low	78	Confident	209 Å²	209	95 Å²	95	79%	0.789	44%	0.435	S	S	*	.			trans	-72.3	115.3	-178.9	-57.2	-175.3	-175.1	-176.4	0.9	109.5
76	R	63.4	Low	78	Confident	184 Å²	184	95.9 Å²	95.9	69%	0.694	44%	0.443	S	S	*	.			trans	-102.6	-8.4	177.6	-81.7	-175.8	172.5	176	-2.4	114.5	E69 R74	E69-R76 HydrophobicContact CB-CB 4.21Å; E69-R76 PolarHBondContact O-N 3.45Å; R74-R76 PolarHBondContact O-N 3.34Å
77	G	79.8	Confident	78	Confident	35 Å²	35	94 Å²	94	36%	0.361	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	123.1	-160.3	176.3	0	0	0	0	0	112.7	E69	E69-G77 PolarHBondContact N-O 3.46Å
78	Y	80.8	Confident	78.3	Confident	174 Å²	174	97.4 Å²	97.4	68%	0.682	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118	133.2	174.7	-70	-91.8	0	0	0	109.7	I67 R68	I67-Y78 CarbonylContact O-C 3.55Å; I67-Y78 VanDerWaalsContact O-CA 3.27Å; I67-Y78 WeakPolarHBondContact O-CA 3.2Å; R68-Y78 HydrophobicContact CB-CD1 4.33Å; R68-Y78 HydrophobicContact CB-CE1 4.16Å
79	K	84.6	Confident	78.9	Confident	106 Å²	106	91.6 Å²	91.6	46%	0.461	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122.6	172.9	179	169.1	175.7	179.3	0	109.7	T66 I67 E69 L81	T66-K79 WeakPolarHBondContact CA-O 3.4Å; I67-K79 HydrophobicContact CG1-CB 4.13Å; I67-K79 PolarHBondContact N-O 2.74Å; I67-K79 PolarHBondContact O-N 3.24Å; E69-K79 HydrophobicContact CG-CB 3.82Å; E69-K79 WeakPolarHBondContact OE1-CD 3.4Å; K79-L81 HydrophobicContact CD-CD2 4.35Å; K79-L81 HydrophobicContact CG-CD2 4.2Å; K79-L81 PolarHBondContact O-N 2.84Å
80	A	86.1	Confident	79.5	Confident	47 Å²	47	89.3 Å²	89.3	39%	0.388	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	117.8	171.3	0	0	0	0	0	109.5	T66 K83	T66-A80 HydrophobicContact CG2-CB 4.07Å; A80-K83 HydrophobicContact CB-CG 4.44Å
81	L	89.1	Confident	80.9	Confident	41 Å²	41	88.7 Å²	88.7	22%	0.215	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-34.5	175.1	-62	-175	0	0	0	112	Y65 I67 K79 T107 G274	Y65-L81 HydrophobicContact CD1-CB 4.16Å; Y65-L81 HydrophobicContact CD1-CD1 4.02Å; Y65-L81 HydrophobicContact CD1-CG 4.43Å; Y65-L81 HydrophobicContact CE1-CD1 3.97Å; Y65-L81 PolarHBondContact O-N 3.08Å; I67-L81 HydrophobicContact CB-CD1 4.45Å; I67-L81 HydrophobicContact CD1-CD1 3.97Å; I67-L81 HydrophobicContact CD1-CD2 4.05Å; I67-L81 HydrophobicContact CD1-CG 4.17Å; I67-L81 HydrophobicContact CG1-CD1 4.06Å; I67-L81 HydrophobicContact CG1-CD2 4.2Å; I67-L81 HydrophobicContact CG1-CG 3.95Å; I67-L81 HydrophobicContact CG2-CD1 3.58Å; I67-L81 HydrophobicContact CG2-CG 4.15Å; K79-L81 HydrophobicContact CD-CD2 4.35Å; K79-L81 HydrophobicContact CG-CD2 4.2Å; K79-L81 PolarHBondContact O-N 2.84Å; L81-T107 HydrophobicContact CD1-CG2 4.2Å; L81-G274 WeakPolarHBondContact O-CA 3.45Å
82	L	91.4	Very high	82.2	Confident	1 Å²	1	93.1 Å²	93.1	1%	0.005	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.6	176.8	-54.1	177.5	0	0	0	109.4	L63 S64 Y65 L85 T107 L108 I111 G274	L63-L82 HydrophobicContact CD2-CD1 3.78Å; S64-L82 WeakPolarHBondContact CA-O 3.2Å; S64-L82 WeakPolarHBondContact CB-O 3.38Å; Y65-L82 PolarHBondContact N-O 2.77Å; Y65-L82 PolarHBondContact O-N 3.24Å; L82-L85 HydrophobicContact CB-CD1 3.98Å; L82-L85 HydrophobicContact CB-CG 4.49Å; L82-L85 HydrophobicContact CD1-CD1 4.18Å; L82-L85 HydrophobicContact CD2-CD1 3.83Å; L82-L85 HydrophobicContact CG-CD1 4.2Å; L82-T107 HydrophobicContact CD1-CG2 4.13Å; L82-T107 HydrophobicContact CG-CG2 4.28Å; L82-L108 HydrophobicContact CD1-CB 4.2Å; L82-L108 HydrophobicContact CD1-CD1 4.42Å; L82-I111 HydrophobicContact CD1-CD1 3.51Å; L82-G274 WeakPolarHBondContact CA-O 3.43Å
83	K	91.3	Very high	83.7	Confident	81 Å²	81	85.9 Å²	85.9	35%	0.352	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	100.9	-172.4	-59.5	174.5	-173.4	164.5	0	109.8	A80 L85 G274 Q275	A80-K83 HydrophobicContact CB-CG 4.44Å; K83-L85 PolarHBondContact O-N 3.27Å; K83-G274 PolarHBondContact N-O 3.09Å; K83-Q275 HydrophobicContact CB-CG 3.81Å; K83-Q275 HydrophobicContact CD-CG 3.98Å; K83-Q275 HydrophobicContact CG-CG 4.45Å
84	C	88.6	Confident	85.2	Confident	70 Å²	70	75.1 Å²	75.1	47%	0.473	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	44.8	55.9	172.8	-59.3	0	0	0	0	114.8	L63	L63-C84 CarbonylContact O-C 3.57Å; L63-C84 WeakPolarHBondContact O-CA 3.32Å; L63-C84 PolarHBondContact O-N 3.42Å
85	L	91.6	Very high	87	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	133.8	178.8	-60.6	178.8	0	0	0	111	F60 E62 L63 L82 K83 L108 L271 G274 C276	F60-L85 HydrophobicContact CD2-CB 4.45Å; F60-L85 WeakPolarHBondContact CD2-O 3.16Å; F60-L85 HydrophobicContact CE2-CB 4.07Å; E62-L85 PolarHBondContact N-O 3.13Å; L63-L85 HydrophobicContact CB-CB 4.34Å; L63-L85 WeakPolarHBondContact CB-O 3.35Å; L63-L85 PolarHBondContact N-O 2.77Å; L63-L85 PolarHBondContact O-N 3.41Å; L82-L85 HydrophobicContact CB-CD1 3.98Å; L82-L85 HydrophobicContact CB-CG 4.49Å; L82-L85 HydrophobicContact CD1-CD1 4.18Å; L82-L85 HydrophobicContact CD2-CD1 3.83Å; L82-L85 HydrophobicContact CG-CD1 4.2Å; K83-L85 PolarHBondContact O-N 3.27Å; L85-L108 HydrophobicContact CD1-CD1 4.08Å; L85-L108 HydrophobicContact CD1-CD2 4.37Å; L85-L271 HydrophobicContact CD1-CD2 3.84Å; L85-L271 HydrophobicContact CD2-CD2 3.74Å; L85-L271 HydrophobicContact CG-CD2 4.48Å; L85-G274 WeakPolarHBondContact CD2-O 3.43Å; L85-C276 HydrophobicContact CD2-CB 3.95Å
86	S	91.8	Very high	88.8	Confident	35 Å²	35	56.7 Å²	56.7	25%	0.245	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	140.7	173.6	-56.3	0	0	0	0	111.6	F60 E62 Y269 K279	F60-S86 VanDerWaalsContact CE2-C 3.49Å; F60-S86 CarbonylContact O-C 3.54Å; F60-S86 WeakPolarHBondContact O-CA 3.2Å; E62-S86 PolarHBondContact N-OG 2.75Å; S86-Y269 PolarHBondContact O-OH 3.45Å; S86-K279 PolarHBondContact O-NZ 3.32Å
87	G	91.3	Very high	90.3	Very high	10 Å²	10	48 Å²	48	10%	0.103	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.3	163.4	-178.4	0	0	0	0	0	113.3	E59 F60	E59-G87 WeakPolarHBondContact CA-O 3.35Å; F60-G87 WeakPolarHBondContact CD1-O 3.38Å; F60-G87 PolarHBondContact N-O 3.42Å; F60-G87 PolarHBondContact O-N 3.25Å
88	R	92.1	Very high	91	Very high	123 Å²	123	46.3 Å²	46.3	46%	0.464	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.2	175.4	-177.4	175.4	173.6	-179.7	0	109.8	D57 L58 E59 K267	D57-R88 IonicContact OD2-CZ 3.84Å; D57-R88 IonicContact OD2-NE 3.94Å; D57-R88 IonicContact OD2-NH2 2.87Å; D57-R88 PolarHBondContact OD2-NH2 3.13Å; L58-R88 CarbonylContact O-C 3.55Å; L58-R88 WeakPolarHBondContact O-CA 3.5Å; E59-R88 HydrophobicContact CB-CB 4.45Å; E59-R88 HydrophobicContact CB-CG 4.31Å; E59-R88 HydrophobicContact CG-CB 4.37Å; R88-K267 PolarHBondContact O-NZ 2.93Å
89	F	93.9	Very high	91.5	Very high	1 Å²	1	38.1 Å²	38.1	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118.6	176.8	-59.1	-34.9	0	0	0	108.4	D57 L58 F60 I95 L112 T249 M251 Y269	D57-F89 WeakPolarHBondContact CA-O 3.48Å; L58-F89 HydrophobicContact CB-CB 4.49Å; L58-F89 PolarHBondContact N-O 3.14Å; L58-F89 PolarHBondContact O-N 2.87Å; F60-F89 HydrophobicContact CD1-CE2 4.49Å; F60-F89 AromaticContact CE1-CD2 4Å; F60-F89 HydrophobicContact CE1-CD2 4Å; F60-F89 HydrophobicContact CE1-CE1 4.4Å; F60-F89 AromaticContact CE1-CE2 3.53Å; F60-F89 HydrophobicContact CE1-CE2 3.53Å; F60-F89 AromaticContact CE1-CZ 3.75Å; F60-F89 HydrophobicContact CE1-CZ 3.75Å; F60-F89 HydrophobicContact CZ-CE2 4.18Å; F60-F89 HydrophobicContact CZ-CZ 4.01Å; F89-I95 HydrophobicContact CB-CD1 3.98Å; F89-I95 HydrophobicContact CB-CG1 4.34Å; F89-I95 HydrophobicContact CD1-CB 4.45Å; F89-I95 HydrophobicContact CD1-CG1 3.98Å; F89-I95 HydrophobicContact CD1-CG2 3.83Å; F89-I95 HydrophobicContact CE1-CG2 3.65Å; F89-I95 HydrophobicContact CG-CD1 4.39Å; F89-I95 HydrophobicContact CG-CG1 4.3Å; F89-I95 HydrophobicContact CG-CG2 4.49Å; F89-I95 HydrophobicContact CZ-CG2 4.13Å; F89-L112 HydrophobicContact CD2-CD1 4.37Å; F89-L112 HydrophobicContact CE2-CD1 3.79Å; F89-T249 HydrophobicContact CB-CG2 4.34Å; F89-M251 HydrophobicContact CB-CE 3.7Å; F89-M251 HydrophobicContact CD2-CE 3.43Å; F89-M251 VanDerWaalsContact CD2-CE 3.43Å; F89-M251 HydrophobicContact CD2-CG 4.21Å; F89-M251 HydrophobicContact CD2-SD 3.4Å; F89-M251 WeakPolarHBondContact CD2-SD 3.31Å; F89-M251 HydrophobicContact CE2-CE 4.41Å; F89-M251 HydrophobicContact CE2-SD 3.82Å; F89-M251 HydrophobicContact CG-CE 3.99Å; F89-M251 HydrophobicContact CG-SD 4.32Å; F89-Y269 AromaticContact CE1-CD2 3.89Å; F89-Y269 HydrophobicContact CE1-CD2 3.89Å; F89-Y269 HydrophobicContact CE1-CG 4.2Å; F89-Y269 AromaticContact CZ-CD2 3.97Å; F89-Y269 HydrophobicContact CZ-CD2 3.97Å; F89-Y269 AromaticContact CZ-CG 3.98Å; F89-Y269 HydrophobicContact CZ-CG 3.98Å
90	C	91.1	Very high	91.8	Very high	26 Å²	26	34.1 Å²	34.1	18%	0.176	18%	0.176	C	C	.	.			trans	-97.2	156.6	-173.8	-58.8	0	0	0	0	110.8	D57 E93	D57-C90 WeakPolarHBondContact OD1-CA 3.47Å; C90-E93 HydrophobicContact CB-CG 4.29Å; C90-E93 PolarHBondContact N-OE2 3.48Å
91	S	90.3	Very high	92	Very high	28 Å²	28	36.4 Å²	36.4	20%	0.196	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	152.5	167.5	58.6	0	0	0	0	112.5	D57 E93 T249	D57-S91 PolarHBondContact OD1-N 2.92Å; D57-S91 PolarHBondContact OD1-OG 3.21Å; S91-E93 PolarHBondContact O-N 2.93Å; S91-T249 WeakPolarHBondContact CA-OG1 3.35Å; S91-T249 PolarHBondContact N-OG1 2.79Å
92	R	89.6	Confident	91.9	Very high	175 Å²	175	38.3 Å²	38.3	66%	0.66	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.1	10.5	-175.4	-57.3	176.1	177.9	178	0.1	115.8	A244 R248	R92-A244 VanDerWaalsContact CA-O 3.32Å; R92-A244 WeakPolarHBondContact CA-O 3.34Å; R92-R248 PolarHBondContact N-O 3.13Å
93	E	91.3	Very high	91.8	Very high	53 Å²	53	38.4 Å²	38.4	25%	0.248	22%	0.22	C	C	.	.			trans	-107.6	139.9	175.4	-61.7	179.2	164.4	0	0	110.6	C90 S91 I95 I250 D266	C90-E93 HydrophobicContact CB-CG 4.29Å; C90-E93 PolarHBondContact N-OE2 3.48Å; S91-E93 PolarHBondContact O-N 2.93Å; E93-I95 HydrophobicContact CB-CD1 3.85Å; E93-I95 HydrophobicContact CB-CG1 4.24Å; E93-I95 WeakPolarHBondContact O-CD1 3.34Å; E93-I250 PolarHBondContact O-N 3.12Å; E93-D266 HydrophobicContact CB-CB 4.24Å
94	L	95	Very high	91.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	109.2	163	177.8	62.1	0	0	0	108.8	V237 M240 K241 A244 I250 F265 D266 K267	L94-V237 HydrophobicContact CD2-CG1 4.21Å; L94-M240 HydrophobicContact CD1-CB 4.15Å; L94-M240 HydrophobicContact CD1-CE 4.03Å; L94-K241 HydrophobicContact CB-CD 4.22Å; L94-K241 HydrophobicContact CD2-CB 4.22Å; L94-K241 HydrophobicContact CD2-CD 4.12Å; L94-A244 HydrophobicContact CB-CB 4.32Å; L94-I250 HydrophobicContact CD1-CB 4.03Å; L94-I250 HydrophobicContact CD1-CG2 3.54Å; L94-F265 HydrophobicContact CD1-CD1 4.49Å; L94-F265 HydrophobicContact CD1-CE1 4.07Å; L94-F265 HydrophobicContact CD2-CD1 4Å; L94-F265 HydrophobicContact CD2-CE1 3.75Å; L94-F265 HydrophobicContact CD2-CZ 4.34Å; L94-F265 HydrophobicContact CG-CD1 3.7Å; L94-F265 HydrophobicContact CG-CE1 3.65Å; L94-D266 PolarHBondContact N-OD2 2.97Å; L94-D266 PolarHBondContact O-N 2.74Å; L94-K267 PolarHBondContact O-N 3.13Å
95	I	95.8	Very high	91.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	122.4	-176.4	-56.4	98.2	0	0	0	111	F89 E93 T249 I250 M251 C252 K267	F89-I95 HydrophobicContact CB-CD1 3.98Å; F89-I95 HydrophobicContact CB-CG1 4.34Å; F89-I95 HydrophobicContact CD1-CB 4.45Å; F89-I95 HydrophobicContact CD1-CG1 3.98Å; F89-I95 HydrophobicContact CD1-CG2 3.83Å; F89-I95 HydrophobicContact CE1-CG2 3.65Å; F89-I95 HydrophobicContact CG-CD1 4.39Å; F89-I95 HydrophobicContact CG-CG1 4.3Å; F89-I95 HydrophobicContact CG-CG2 4.49Å; F89-I95 HydrophobicContact CZ-CG2 4.13Å; E93-I95 HydrophobicContact CB-CD1 3.85Å; E93-I95 HydrophobicContact CB-CG1 4.24Å; E93-I95 WeakPolarHBondContact O-CD1 3.34Å; I95-T249 HydrophobicContact CD1-CG2 4.24Å; I95-I250 WeakPolarHBondContact CD1-O 3.43Å; I95-I250 PolarHBondContact N-O 3.24Å; I95-M251 HydrophobicContact CB-CG 4.5Å; I95-M251 HydrophobicContact CD1-CG 4.38Å; I95-C252 PolarHBondContact O-N 2.98Å; I95-K267 WeakPolarHBondContact CA-O 3.45Å; I95-K267 HydrophobicContact CG1-CB 4.11Å; I95-K267 HydrophobicContact CG1-CD 4.48Å
96	G	95.4	Very high	91.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	119.6	172.7	0	0	0	0	0	112.2	K267 L268 Y269	G96-K267 PolarHBondContact N-O 2.87Å; G96-L268 WeakPolarHBondContact O-CA 3.3Å; G96-Y269 PolarHBondContact O-N 3.39Å
97	I	95.5	Very high	91.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	115.2	171.8	-56.5	175.6	0	0	0	108.4	K105 M109 C252 T253 I254 Y269 L271	I97-K105 HydrophobicContact CG2-CB 4.15Å; I97-K105 HydrophobicContact CG2-CG 4.3Å; I97-M109 HydrophobicContact CD1-CE 4.35Å; I97-C252 PolarHBondContact N-O 2.92Å; I97-T253 HydrophobicContact CB-CG2 4.26Å; I97-T253 HydrophobicContact CG2-CG2 4.39Å; I97-T253 WeakPolarHBondContact O-CA 3.49Å; I97-I254 PolarHBondContact O-N 2.92Å; I97-I254 VanDerWaalsContact O-N 3.1Å; I97-Y269 VanDerWaalsContact CA-O 3.31Å; I97-Y269 WeakPolarHBondContact CA-O 3.49Å; I97-L271 HydrophobicContact CG2-CD1 4.2Å
98	M	93.8	Very high	91.9	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	167.6	-172.9	-61.3	-177.5	-173	0	0	111.7	P257 F262 F265 L268 Y269 I270 L271	M98-P257 HydrophobicContact CE-CG 3.79Å; M98-P257 HydrophobicContact SD-CG 4.21Å; M98-F262 HydrophobicContact CE-CD2 3.96Å; M98-F262 HydrophobicContact CE-CE2 4.33Å; M98-F262 HydrophobicContact SD-CD2 4.18Å; M98-F262 HydrophobicContact SD-CE2 4.13Å; M98-F265 HydrophobicContact CE-CD2 4.16Å; M98-F265 HydrophobicContact CE-CE2 4.41Å; M98-L268 HydrophobicContact CE-CD2 3.61Å; M98-L268 HydrophobicContact SD-CD2 4Å; M98-Y269 PolarHBondContact N-O 3.32Å; M98-I270 HydrophobicContact CB-CG1 4.38Å; M98-I270 WeakPolarHBondContact O-CA 3.09Å; M98-L271 PolarHBondContact O-N 2.88Å
99	G	92.6	Very high	92	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.021	17%	0.169	C	C	.	.			trans	144.7	167.4	179.9	0	0	0	0	0	112.7	K105 L271	G99-K105 PolarHBondContact O-NZ 2.8Å; G99-L271 VanDerWaalsContact CA-O 3.28Å; G99-L271 WeakPolarHBondContact CA-O 3.43Å
100	P	91.3	Very high	91.8	Very high	22 Å²	22	28.4 Å²	28.4	14%	0.143	18%	0.175	C	C	.	.	S	Bend	trans	-64.2	166.1	-179.6	24.5	-32	0	0	0	112.7	G102 A103 K105 L271 A310	P100-G102 PolarHBondContact O-N 3.31Å; P100-A103 HydrophobicContact CG-CB 4.16Å; P100-A103 WeakPolarHBondContact O-CB 3.39Å; P100-A103 PolarHBondContact O-N 3.18Å; P100-A103 VanDerWaalsContact O-N 3.15Å; P100-K105 PolarHBondContact O-NZ 2.95Å; P100-L271 WeakPolarHBondContact CD-O 3.49Å; P100-A310 HydrophobicContact CG-CB 4.22Å
101	S	89.6	Confident	91.8	Very high	96 Å²	96	27.1 Å²	27.1	67%	0.671	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	134.1	174.2	-72.1	0	0	0	0	110.7	A103	S101-A103 VanDerWaalsContact C-N 3.31Å; S101-A103 PolarHBondContact O-N 3.34Å
102	G	86.2	Confident	91.9	Very high	81 Å²	81	25.9 Å²	25.9	84%	0.835	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.6	1.4	-176	0	0	0	0	0	116.1	P100 G104	P100-G102 PolarHBondContact O-N 3.31Å; G102-G104 PolarHBondContact O-N 3.06Å; G102-G104 VanDerWaalsContact O-N 3.12Å
103	A	89.4	Confident	91.9	Very high	3 Å²	3	17.6 Å²	17.6	3%	0.025	13%	0.127	C	C	.	.	S	Bend	trans	-66.2	-11.7	179.6	0	0	0	0	0	115.4	P100 S101 L271 G274	P100-A103 HydrophobicContact CG-CB 4.16Å; P100-A103 WeakPolarHBondContact O-CB 3.39Å; P100-A103 PolarHBondContact O-N 3.18Å; P100-A103 VanDerWaalsContact O-N 3.15Å; S101-A103 VanDerWaalsContact C-N 3.31Å; S101-A103 PolarHBondContact O-N 3.34Å; A103-L271 HydrophobicContact CB-CB 4.17Å; A103-L271 WeakPolarHBondContact CB-O 3.5Å; A103-G274 WeakPolarHBondContact O-CA 3.39Å; A103-G274 PolarHBondContact O-N 3.26Å
104	G	90.4	Very high	91.7	Very high	11 Å²	11	15.1 Å²	15.1	11%	0.113	12%	0.116	C	C	.	.	S	Bend	trans	100.2	10.9	-179.6	0	0	0	0	0	115.5	G102 T107 L108	G102-G104 PolarHBondContact O-N 3.06Å; G102-G104 VanDerWaalsContact O-N 3.12Å; G104-T107 CarbonylContact O-C 3.53Å; G104-T107 WeakPolarHBondContact O-CA 3.17Å; G104-T107 WeakPolarHBondContact O-CB 3.04Å; G104-T107 PolarHBondContact O-N 3.31Å; G104-T107 VanDerWaalsContact O-N 3.11Å; G104-L108 PolarHBondContact O-N 2.62Å
105	K	92	Very high	91.1	Very high	12 Å²	12	16 Å²	16	5%	0.052	12%	0.119	C	C	.	.	H	α-helix	trans	-51.1	-62.3	-178.7	-55.1	-176.3	-65.9	-86.6	0	113.8	I97 G99 P100 T107 L108 M109 T253 L271	I97-K105 HydrophobicContact CG2-CB 4.15Å; I97-K105 HydrophobicContact CG2-CG 4.3Å; G99-K105 PolarHBondContact O-NZ 2.8Å; P100-K105 PolarHBondContact O-NZ 2.95Å; K105-T107 PolarHBondContact O-N 3.31Å; K105-L108 PolarHBondContact O-N 3.29Å; K105-M109 PolarHBondContact O-N 2.83Å; K105-T253 HydrophobicContact CB-CG2 3.77Å; K105-L271 HydrophobicContact CG-CD1 4.48Å
106	S	90.6	Very high	90.4	Very high	38 Å²	38	20.2 Å²	20.2	27%	0.266	14%	0.135	S	C	.	.	H	α-helix	trans	-67.5	-24.3	178.8	-45.2	0	0	0	0	111.8	N110 D222	S106-N110 VanDerWaalsContact O-CB 3.31Å; S106-N110 WeakPolarHBondContact O-CB 3.32Å; S106-N110 VanDerWaalsContact O-CG 3.27Å; S106-N110 PolarHBondContact O-N 3.29Å; S106-N110 PolarHBondContact O-ND2 2.76Å; S106-D222 PolarHBondContact OG-OD1 3.5Å
107	T	91.4	Very high	89.3	Confident	22 Å²	22	25.8 Å²	25.8	14%	0.135	16%	0.161	C	C	.	.	H	α-helix	trans	-69.3	-44.6	173.8	-59.4	0	0	0	0	111.2	Y65 L81 L82 G104 K105 N110 I111	Y65-T107 HydrophobicContact CD1-CG2 3.56Å; Y65-T107 HydrophobicContact CE1-CG2 3.86Å; Y65-T107 HydrophobicContact CG-CG2 4.45Å; L81-T107 HydrophobicContact CD1-CG2 4.2Å; L82-T107 HydrophobicContact CD1-CG2 4.13Å; L82-T107 HydrophobicContact CG-CG2 4.28Å; G104-T107 CarbonylContact O-C 3.53Å; G104-T107 WeakPolarHBondContact O-CA 3.17Å; G104-T107 WeakPolarHBondContact O-CB 3.04Å; G104-T107 PolarHBondContact O-N 3.31Å; G104-T107 VanDerWaalsContact O-N 3.11Å; K105-T107 PolarHBondContact O-N 3.31Å; T107-N110 PolarHBondContact O-N 2.93Å; T107-I111 HydrophobicContact CG2-CD1 4.01Å; T107-I111 WeakPolarHBondContact O-CD1 3.46Å; T107-I111 VanDerWaalsContact O-CG1 3.3Å; T107-I111 WeakPolarHBondContact O-CG1 3.4Å; T107-I111 PolarHBondContact O-N 3.32Å; T107-I111 VanDerWaalsContact O-N 3.1Å
108	L	93.3	Very high	88.5	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.4	-47.8	173.4	175.6	62.7	0	0	0	110.4	L63 L82 L85 G104 K105 N110 I111 L112 Y269 L271	L63-L108 HydrophobicContact CD2-CD1 3.89Å; L82-L108 HydrophobicContact CD1-CB 4.2Å; L82-L108 HydrophobicContact CD1-CD1 4.42Å; L85-L108 HydrophobicContact CD1-CD1 4.08Å; L85-L108 HydrophobicContact CD1-CD2 4.37Å; G104-L108 PolarHBondContact O-N 2.62Å; K105-L108 PolarHBondContact O-N 3.29Å; L108-N110 PolarHBondContact O-N 3.37Å; L108-I111 PolarHBondContact O-N 3.44Å; L108-L112 HydrophobicContact CD1-CD1 4.09Å; L108-L112 HydrophobicContact CD1-CG 4.12Å; L108-L112 HydrophobicContact CG-CD1 4.01Å; L108-L112 HydrophobicContact CG-CG 4.41Å; L108-L112 WeakPolarHBondContact O-CG 3.48Å; L108-L112 PolarHBondContact O-N 3.08Å; L108-Y269 HydrophobicContact CD2-CD1 4Å; L108-Y269 HydrophobicContact CD2-CE1 3.8Å; L108-L271 HydrophobicContact CB-CD1 4.24Å; L108-L271 HydrophobicContact CD2-CD1 3.85Å
109	M	92.7	Very high	87.7	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.9	-45.6	179.5	-166.4	-178.3	-85.9	0	0	112.4	I97 K105 I111 L112 A113 Y142 F220 F221 D222 T253	I97-M109 HydrophobicContact CD1-CE 4.35Å; K105-M109 PolarHBondContact O-N 2.83Å; M109-I111 VanDerWaalsContact C-N 3.3Å; M109-I111 PolarHBondContact O-N 3.23Å; M109-L112 PolarHBondContact O-N 2.8Å; M109-A113 WeakPolarHBondContact O-CB 3.04Å; M109-A113 PolarHBondContact O-N 3.45Å; M109-Y142 HydrophobicContact CB-CE2 4.45Å; M109-Y142 HydrophobicContact CG-CE2 3.72Å; M109-Y142 HydrophobicContact SD-CE2 3.82Å; M109-F220 HydrophobicContact CG-CB 4.05Å; M109-F220 HydrophobicContact CG-CD1 3.77Å; M109-F220 HydrophobicContact CG-CG 4.27Å; M109-F220 HydrophobicContact SD-CB 4.03Å; M109-F221 VanDerWaalsContact CE-O 3.24Å; M109-F221 WeakPolarHBondContact CE-O 3.48Å; M109-D222 HydrophobicContact SD-CB 4.25Å; M109-T253 HydrophobicContact CE-CG2 3.6Å; M109-T253 VanDerWaalsContact CE-N 3.33Å; M109-T253 HydrophobicContact SD-CG2 4.36Å
110	N	90.5	Very high	87.5	Confident	27 Å²	27	34.6 Å²	34.6	14%	0.144	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-36.3	177	-80.7	-50.7	0	0	0	113	S106 T107 L108 G114 Y115 R116 Y142	S106-N110 VanDerWaalsContact O-CB 3.31Å; S106-N110 WeakPolarHBondContact O-CB 3.32Å; S106-N110 VanDerWaalsContact O-CG 3.27Å; S106-N110 PolarHBondContact O-N 3.29Å; S106-N110 PolarHBondContact O-ND2 2.76Å; T107-N110 PolarHBondContact O-N 2.93Å; L108-N110 PolarHBondContact O-N 3.37Å; N110-G114 PolarHBondContact O-N 3.13Å; N110-G114 VanDerWaalsContact O-N 3.09Å; N110-Y115 PolarHBondContact O-N 3.41Å; N110-R116 HydrophobicContact CB-CG 4.37Å; N110-R116 PolarHBondContact O-N 2.87Å; N110-Y142 PolarHBondContact OD1-OH 3.45Å
111	I	91.5	Very high	87.4	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-71	-42.1	176.7	-68	162.9	0	0	0	110.8	L63 Y65 L82 T107 L108 M109 G114 R116 M120 I124 R131	L63-I111 HydrophobicContact CD1-CG2 3.78Å; L63-I111 HydrophobicContact CD2-CD1 4.31Å; L63-I111 HydrophobicContact CD2-CG2 4.07Å; L63-I111 HydrophobicContact CG-CG2 4.38Å; Y65-I111 HydrophobicContact CD1-CD1 4.08Å; Y65-I111 HydrophobicContact CD2-CD1 3.83Å; Y65-I111 HydrophobicContact CD2-CG1 4.49Å; Y65-I111 HydrophobicContact CG-CD1 3.58Å; L82-I111 HydrophobicContact CD1-CD1 3.51Å; T107-I111 HydrophobicContact CG2-CD1 4.01Å; T107-I111 WeakPolarHBondContact O-CD1 3.46Å; T107-I111 VanDerWaalsContact O-CG1 3.3Å; T107-I111 WeakPolarHBondContact O-CG1 3.4Å; T107-I111 PolarHBondContact O-N 3.32Å; T107-I111 VanDerWaalsContact O-N 3.1Å; L108-I111 PolarHBondContact O-N 3.44Å; M109-I111 VanDerWaalsContact C-N 3.3Å; M109-I111 PolarHBondContact O-N 3.23Å; I111-G114 PolarHBondContact O-N 3.41Å; I111-G114 VanDerWaalsContact O-N 3.07Å; I111-R116 HydrophobicContact CG1-CB 4.13Å; I111-M120 HydrophobicContact CG2-CE 4.22Å; I111-M120 HydrophobicContact CG2-CG 3.91Å; I111-I124 HydrophobicContact CG2-CD1 4.13Å; I111-R131 PolarHBondContact O-NH1 2.94Å; I111-R131 PolarHBondContact O-NH2 3.22Å
112	L	91.8	Very high	87.4	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-64.9	-38.8	176.8	-68.3	176.9	0	0	0	112.2	F60 F89 L108 M109 G114 I124 R131 F136 F220 M251	F60-L112 HydrophobicContact CB-CD2 4.17Å; F60-L112 HydrophobicContact CD1-CD2 3.77Å; F60-L112 HydrophobicContact CE1-CD1 4.45Å; F60-L112 HydrophobicContact CE1-CD2 4.42Å; F60-L112 HydrophobicContact CG-CD2 4.06Å; F89-L112 HydrophobicContact CD2-CD1 4.37Å; F89-L112 HydrophobicContact CE2-CD1 3.79Å; L108-L112 HydrophobicContact CD1-CD1 4.09Å; L108-L112 HydrophobicContact CD1-CG 4.12Å; L108-L112 HydrophobicContact CG-CD1 4.01Å; L108-L112 HydrophobicContact CG-CG 4.41Å; L108-L112 WeakPolarHBondContact O-CG 3.48Å; L108-L112 PolarHBondContact O-N 3.08Å; M109-L112 PolarHBondContact O-N 2.8Å; L112-G114 PolarHBondContact O-N 3.32Å; L112-I124 HydrophobicContact CD2-CD1 4.23Å; L112-R131 PolarHBondContact O-NH1 3.49Å; L112-F136 VanDerWaalsContact O-CE1 3.22Å; L112-F136 WeakPolarHBondContact O-CE1 3.23Å; L112-F220 HydrophobicContact CB-CE1 3.72Å; L112-F220 HydrophobicContact CB-CZ 4.07Å; L112-M251 HydrophobicContact CD1-SD 4.19Å
113	A	89.4	Confident	87.7	Confident	2 Å²	2	37.8 Å²	37.8	2%	0.017	22%	0.215	C	C	.	.	H	α-helix	trans	-69.3	-19.7	172.5	0	0	0	0	0	113.1	M109 Y142 F220	M109-A113 WeakPolarHBondContact O-CB 3.04Å; M109-A113 PolarHBondContact O-N 3.45Å; A113-Y142 HydrophobicContact CB-CD2 3.67Å; A113-Y142 HydrophobicContact CB-CE2 4.22Å; A113-F220 HydrophobicContact CB-CD2 3.79Å; A113-F220 HydrophobicContact CB-CE2 3.83Å; A113-F220 HydrophobicContact CB-CG 4.19Å; A113-F220 HydrophobicContact CB-CZ 4.24Å
114	G	87.1	Confident	87.9	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.01	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	28.2	-178.6	0	0	0	0	0	113.2	N110 I111 L112 R137	N110-G114 PolarHBondContact O-N 3.13Å; N110-G114 VanDerWaalsContact O-N 3.09Å; I111-G114 PolarHBondContact O-N 3.41Å; I111-G114 VanDerWaalsContact O-N 3.07Å; L112-G114 PolarHBondContact O-N 3.32Å; G114-R137 PolarHBondContact O-NE 3.08Å; G114-R137 PolarHBondContact O-NH2 3.38Å
115	Y	82.6	Confident	87.9	Confident	18 Å²	18	39.3 Å²	39.3	7%	0.071	22%	0.219	C	C	.	.	S	Bend	trans	-84.2	-17	169.8	-71.2	-6.4	0	0	0	112.9	N110 Y142 L454 N455 R642	N110-Y115 PolarHBondContact O-N 3.41Å; Y115-Y142 HydrophobicContact CD2-CD2 4.19Å; Y115-Y142 HydrophobicContact CD2-CE2 4.49Å; Y115-Y142 HydrophobicContact CD2-CG 4.26Å; Y115-Y142 AromaticContact CE2-CD1 3.88Å; Y115-Y142 HydrophobicContact CE2-CD1 3.88Å; Y115-Y142 AromaticContact CE2-CD2 3.85Å; Y115-Y142 HydrophobicContact CE2-CD2 3.85Å; Y115-Y142 HydrophobicContact CE2-CE2 4.49Å; Y115-Y142 AromaticContact CE2-CG 3.49Å; Y115-Y142 HydrophobicContact CE2-CG 3.49Å; Y115-Y142 VanDerWaalsContact CE2-CG 3.49Å; Y115-Y142 VanDerWaalsContact OH-CB 3.25Å; Y115-Y142 WeakPolarHBondContact OH-CB 3.32Å; Y115-L454 HydrophobicContact CE1-CB 4.03Å; Y115-L454 HydrophobicContact CE2-CD1 4.39Å; Y115-N455 PolarHBondContact OH-OD1 2.86Å; Y115-N455 VanDerWaalsContact OH-OD1 3.08Å; Y115-R642 CarbonylContact O-C 3.59Å; Y115-R642 VanDerWaalsContact O-CA 3.3Å; Y115-R642 WeakPolarHBondContact O-CA 3.47Å
116	R	81.1	Confident	88	Confident	88 Å²	88	39.5 Å²	39.5	33%	0.332	22%	0.222	S	C	.	.			trans	-129	124.1	172.9	-66.6	-175.2	177.8	-174.9	-0.5	110.5	N110 I111	N110-R116 HydrophobicContact CB-CG 4.37Å; N110-R116 PolarHBondContact O-N 2.87Å; I111-R116 HydrophobicContact CG1-CB 4.13Å
117	E	73.2	Confident	87.9	Confident	117 Å²	117	41.6 Å²	41.6	55%	0.547	23%	0.23	S	C	.	.			trans	-120.7	-37.8	178.8	-170.2	175.7	-172.6	0	0	112.2	G119 M120 L133	E117-G119 PolarHBondContact O-N 2.6Å; E117-M120 WeakPolarHBondContact O-CB 3.47Å; E117-M120 PolarHBondContact O-N 2.75Å; E117-L133 HydrophobicContact CG-CD1 4.41Å; E117-L133 WeakPolarHBondContact OE2-CD1 3.33Å
118	T	78	Confident	87.6	Confident	104 Å²	104	43.3 Å²	43.3	64%	0.638	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	117.5	-175.2	56.3	0	0	0	0	111.8	Y65	Y65-T118 VanDerWaalsContact CE2-O 3.32Å; Y65-T118 WeakPolarHBondContact CE2-O 3.33Å
119	G	77.8	Confident	87.5	Confident	39 Å²	39	52.2 Å²	52.2	40%	0.402	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	6	179.7	0	0	0	0	0	114.6	T66 E117	T66-G119 PolarHBondContact N-O 3.27Å; E117-G119 PolarHBondContact O-N 2.6Å
120	M	87.4	Confident	87.4	Confident	45 Å²	45	57.4 Å²	57.4	22%	0.222	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	138.9	170.8	-175	-91	-109.7	0	0	111.2	L63 S64 Y65 I111 E117 I124	L63-M120 HydrophobicContact CD1-CE 4.14Å; L63-M120 HydrophobicContact CD1-CG 4.34Å; L63-M120 HydrophobicContact CD1-SD 4.4Å; L63-M120 HydrophobicContact CG-CG 4.5Å; S64-M120 WeakPolarHBondContact O-CA 3.41Å; Y65-M120 HydrophobicContact CD2-CB 4.26Å; I111-M120 HydrophobicContact CG2-CE 4.22Å; I111-M120 HydrophobicContact CG2-CG 3.91Å; E117-M120 WeakPolarHBondContact O-CB 3.47Å; E117-M120 PolarHBondContact O-N 2.75Å; M120-I124 HydrophobicContact CE-CD1 3.61Å; M120-I124 HydrophobicContact CE-CG1 4.04Å
121	K	89.5	Confident	87.4	Confident	146 Å²	146	57.8 Å²	57.8	64%	0.635	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	157.5	168.1	-62	177.9	178.2	-176.5	0	109.1	L63 S64	L63-K121 WeakPolarHBondContact CA-O 3.32Å; S64-K121 PolarHBondContact N-O 2.77Å; S64-K121 PolarHBondContact O-N 2.62Å; S64-K121 WeakPolarHBondContact OG-CB 3.47Å
122	G	89.2	Confident	87.1	Confident	39 Å²	39	61.8 Å²	61.8	40%	0.402	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	102.4	-177.1	-174.5	0	0	0	0	0	111.8	N61	N61-G122 WeakPolarHBondContact O-CA 3.15Å
123	T	91.8	Very high	86.8	Confident	80 Å²	80	63 Å²	63	49%	0.491	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136.2	-176.2	57.5	0	0	0	0	111.3	F60 N61	F60-T123 WeakPolarHBondContact CA-O 3.42Å; N61-T123 PolarHBondContact N-O 3.28Å; N61-T123 PolarHBondContact O-N 3.24Å; N61-T123 VanDerWaalsContact O-N 3.08Å
124	I	93.6	Very high	86.4	Confident	10 Å²	10	72.2 Å²	72.2	5%	0.051	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125	170.9	-59.6	170.5	0	0	0	108.1	L58 E59 F60 L63 I111 L112 M120 R131	L58-I124 HydrophobicContact CD2-CG2 4.21Å; E59-I124 CarbonylContact O-C 3.56Å; E59-I124 WeakPolarHBondContact O-CA 3.43Å; F60-I124 HydrophobicContact CB-CG1 4.09Å; L63-I124 HydrophobicContact CD1-CD1 3.73Å; L63-I124 HydrophobicContact CD1-CG1 3.74Å; I111-I124 HydrophobicContact CG2-CD1 4.13Å; L112-I124 HydrophobicContact CD2-CD1 4.23Å; M120-I124 HydrophobicContact CE-CD1 3.61Å; M120-I124 HydrophobicContact CE-CG1 4.04Å; I124-R131 HydrophobicContact CB-CB 4.35Å; I124-R131 HydrophobicContact CG2-CB 4.25Å; I124-R131 WeakPolarHBondContact O-CB 3.43Å; I124-R131 PolarHBondContact O-N 2.98Å
125	L	92.4	Very high	86.3	Confident	36 Å²	36	74.1 Å²	74.1	19%	0.188	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	138.3	178.9	-55.4	171.3	0	0	0	109.8	E59 R129	E59-L125 HydrophobicContact CB-CB 4.23Å; E59-L125 PolarHBondContact N-O 3.24Å; E59-L125 PolarHBondContact O-N 3.48Å; L125-R129 CarbonylContact C-O 3.45Å; L125-R129 WeakPolarHBondContact CA-O 3.49Å
126	V	92.1	Very high	86.5	Confident	17 Å²	17	73.3 Å²	73.3	10%	0.103	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	115	173.8	-176.9	0	0	0	0	106.5	V56 D57 L58 G128 R129 R131 F136	V56-V126 HydrophobicContact CG1-CG1 3.51Å; D57-V126 WeakPolarHBondContact O-CA 3.35Å; L58-V126 HydrophobicContact CD2-CG2 3.9Å; V126-G128 PolarHBondContact O-N 3.46Å; V126-R129 PolarHBondContact N-O 2.85Å; V126-R129 PolarHBondContact O-N 2.72Å; V126-R131 HydrophobicContact CG2-CB 3.82Å; V126-R131 HydrophobicContact CG2-CG 3.79Å; V126-F136 HydrophobicContact CG1-CD2 4.35Å; V126-F136 HydrophobicContact CG2-CD2 3.72Å; V126-F136 HydrophobicContact CG2-CE2 4.07Å
127	N	89.3	Confident	86.7	Confident	82 Å²	82	70.6 Å²	70.6	44%	0.439	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	41.4	-173.9	-68.3	-19.3	0	0	0	113	A55 V56 D57 R129	A55-N127 PolarHBondContact O-ND2 2.85Å; A55-N127 VanDerWaalsContact O-ND2 3.08Å; V56-N127 WeakPolarHBondContact CA-OD1 3.45Å; D57-N127 PolarHBondContact N-OD1 3.32Å; D57-N127 PolarHBondContact O-N 2.86Å; N127-R129 VanDerWaalsContact C-N 3.29Å; N127-R129 PolarHBondContact O-N 3.18Å
128	G	86.1	Confident	87.1	Confident	58 Å²	58	68.6 Å²	68.6	60%	0.598	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	0.7	179.9	0	0	0	0	0	115.9	V126	V126-G128 PolarHBondContact O-N 3.46Å
129	R	89.9	Confident	87.4	Confident	186 Å²	186	65.5 Å²	65.5	70%	0.702	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	149.6	177.6	-63.2	-177.2	-175.3	-177.8	1.7	111.2	L125 V126 N127 R131	L125-R129 CarbonylContact C-O 3.45Å; L125-R129 WeakPolarHBondContact CA-O 3.49Å; V126-R129 PolarHBondContact N-O 2.85Å; V126-R129 PolarHBondContact O-N 2.72Å; N127-R129 VanDerWaalsContact C-N 3.29Å; N127-R129 PolarHBondContact O-N 3.18Å; R129-R131 PolarHBondContact O-N 3.22Å
130	P	90.4	Very high	88	Confident	109 Å²	109	64.3 Å²	64.3	71%	0.708	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.7	136.3	176.6	25.9	-34.2	0	0	0	111.1	D132	P130-D132 PolarHBondContact O-N 3.42Å; P130-D132 VanDerWaalsContact O-N 3.17Å
131	R	90.3	Very high	88.2	Confident	36 Å²	36	62.4 Å²	62.4	14%	0.136	32%	0.324	C	S	.	.			trans	-64.6	112.7	-177	-176.4	-179.9	68.8	170.8	-0.5	111.5	I111 L112 I124 V126 R129 L133 F136	I111-R131 PolarHBondContact O-NH1 2.94Å; I111-R131 PolarHBondContact O-NH2 3.22Å; L112-R131 PolarHBondContact O-NH1 3.49Å; I124-R131 HydrophobicContact CB-CB 4.35Å; I124-R131 HydrophobicContact CG2-CB 4.25Å; I124-R131 WeakPolarHBondContact O-CB 3.43Å; I124-R131 PolarHBondContact O-N 2.98Å; V126-R131 HydrophobicContact CG2-CB 3.82Å; V126-R131 HydrophobicContact CG2-CG 3.79Å; R129-R131 PolarHBondContact O-N 3.22Å; R131-L133 PolarHBondContact O-N 3.06Å; R131-F136 HydrophobicContact CG-CB 3.85Å; R131-F136 HydrophobicContact CG-CD1 4.35Å; R131-F136 HydrophobicContact CG-CD2 4.36Å; R131-F136 HydrophobicContact CG-CG 3.92Å
132	D	87.3	Confident	88.3	Confident	84 Å²	84	55.7 Å²	55.7	45%	0.449	30%	0.295	S	S	.	.			trans	-80.2	113.1	159.5	171.8	25.7	0	0	0	109.9	P130 R134 T135 F136	P130-D132 PolarHBondContact O-N 3.42Å; P130-D132 VanDerWaalsContact O-N 3.17Å; D132-R134 VanDerWaalsContact C-N 3.28Å; D132-R134 PolarHBondContact O-N 3.42Å; D132-R134 PolarHBondContact OD1-N 3.09Å; D132-R134 VanDerWaalsContact OD1-N 3.12Å; D132-T135 PolarHBondContact O-N 2.6Å; D132-T135 WeakPolarHBondContact OD2-CB 3.4Å; D132-T135 PolarHBondContact OD2-N 2.89Å; D132-T135 PolarHBondContact OD2-OG1 3.29Å; D132-F136 WeakPolarHBondContact O-CB 3.47Å; D132-F136 PolarHBondContact O-N 3.43Å
133	L	84.1	Confident	88.5	Confident	26 Å²	26	54.2 Å²	54.2	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-58.3	-36.8	-178.3	-75.5	171.4	0	0	0	113.3	E117 R131 R137	E117-L133 HydrophobicContact CG-CD1 4.41Å; E117-L133 WeakPolarHBondContact OE2-CD1 3.33Å; R131-L133 PolarHBondContact O-N 3.06Å; L133-R137 WeakPolarHBondContact O-CB 3.46Å; L133-R137 VanDerWaalsContact O-CD 3.29Å; L133-R137 WeakPolarHBondContact O-CD 3.37Å; L133-R137 WeakPolarHBondContact O-CG 3.36Å; L133-R137 PolarHBondContact O-N 2.75Å
134	R	82.1	Confident	88.3	Confident	195 Å²	195	53.5 Å²	53.5	74%	0.736	27%	0.269	S	S	*	.	H	α-helix	trans	-68.4	-45.7	-177	-68.7	-177	-178.5	175.7	2.7	110.9	D132	D132-R134 VanDerWaalsContact C-N 3.28Å; D132-R134 PolarHBondContact O-N 3.42Å; D132-R134 PolarHBondContact OD1-N 3.09Å; D132-R134 VanDerWaalsContact OD1-N 3.12Å
135	T	83.8	Confident	88	Confident	41 Å²	41	56.9 Å²	56.9	25%	0.252	29%	0.285	S	S	.	.	H	α-helix	trans	-71.3	-43.1	177.9	-54.9	0	0	0	0	110.9	D132 R137 K138 M139	D132-T135 PolarHBondContact O-N 2.6Å; D132-T135 WeakPolarHBondContact OD2-CB 3.4Å; D132-T135 PolarHBondContact OD2-N 2.89Å; D132-T135 PolarHBondContact OD2-OG1 3.29Å; T135-R137 PolarHBondContact O-N 2.79Å; T135-K138 WeakPolarHBondContact O-CB 3.29Å; T135-K138 PolarHBondContact O-N 3.09Å; T135-K138 VanDerWaalsContact O-N 3.13Å; T135-M139 HydrophobicContact CG2-CE 3.98Å; T135-M139 HydrophobicContact CG2-SD 4.34Å; T135-M139 WeakPolarHBondContact O-CG 3.44Å; T135-M139 PolarHBondContact O-N 3.44Å
136	F	87.7	Confident	87.5	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.009	30%	0.304	C	S	.	.	H	α-helix	trans	-60	-44.3	-179.8	-175.8	-104.1	0	0	0	112.7	L58 L112 V126 R131 D132 K138 M139 S140 V218 F220	L58-F136 HydrophobicContact CD1-CE2 4.01Å; L58-F136 HydrophobicContact CD1-CZ 3.85Å; L58-F136 HydrophobicContact CD2-CE2 3.69Å; L58-F136 HydrophobicContact CD2-CZ 3.89Å; L58-F136 HydrophobicContact CG-CE2 4.25Å; L58-F136 HydrophobicContact CG-CZ 4.45Å; L112-F136 VanDerWaalsContact O-CE1 3.22Å; L112-F136 WeakPolarHBondContact O-CE1 3.23Å; V126-F136 HydrophobicContact CG1-CD2 4.35Å; V126-F136 HydrophobicContact CG2-CD2 3.72Å; V126-F136 HydrophobicContact CG2-CE2 4.07Å; R131-F136 HydrophobicContact CG-CB 3.85Å; R131-F136 HydrophobicContact CG-CD1 4.35Å; R131-F136 HydrophobicContact CG-CD2 4.36Å; R131-F136 HydrophobicContact CG-CG 3.92Å; D132-F136 WeakPolarHBondContact O-CB 3.47Å; D132-F136 PolarHBondContact O-N 3.43Å; F136-K138 PolarHBondContact O-N 3.38Å; F136-M139 HydrophobicContact CD2-CE 4.45Å; F136-M139 CarbonylContact O-C 3.13Å; F136-M139 WeakPolarHBondContact O-CA 3.34Å; F136-M139 WeakPolarHBondContact O-CB 3.33Å; F136-M139 PolarHBondContact O-N 3.41Å; F136-S140 PolarHBondContact O-N 2.94Å; F136-S140 PolarHBondContact O-OG 3.09Å; F136-V218 HydrophobicContact CE2-CG2 4.33Å; F136-V218 HydrophobicContact CZ-CG1 4.36Å; F136-F220 HydrophobicContact CE1-CE2 4.17Å; F136-F220 HydrophobicContact CE1-CZ 4.33Å; F136-F220 HydrophobicContact CZ-CE2 4.08Å; F136-F220 HydrophobicContact CZ-CZ 4.04Å
137	R	84	Confident	86.9	Confident	31 Å²	31	61.8 Å²	61.8	12%	0.117	31%	0.31	C	S	.	.	H	α-helix	trans	-62.2	-25.4	177.9	-73.8	165.8	171.2	173.4	0.8	113.8	G114 L133 T135 M139 S140 Y456	G114-R137 PolarHBondContact O-NE 3.08Å; G114-R137 PolarHBondContact O-NH2 3.38Å; L133-R137 WeakPolarHBondContact O-CB 3.46Å; L133-R137 VanDerWaalsContact O-CD 3.29Å; L133-R137 WeakPolarHBondContact O-CD 3.37Å; L133-R137 WeakPolarHBondContact O-CG 3.36Å; L133-R137 PolarHBondContact O-N 2.75Å; T135-R137 PolarHBondContact O-N 2.79Å; R137-M139 VanDerWaalsContact C-N 3.31Å; R137-S140 VanDerWaalsContact O-O 3.1Å; R137-Y456 HydrophobicContact CB-CD2 3.99Å; R137-Y456 HydrophobicContact CB-CE2 3.57Å; R137-Y456 WeakPolarHBondContact CD-OH 3.37Å; R137-Y456 HydrophobicContact CG-CE2 4.04Å; R137-Y456 PolarHBondContact NH1-OH 3.32Å
138	K	81.8	Confident	86.6	Confident	75 Å²	75	60.6 Å²	60.6	33%	0.326	30%	0.303	S	S	.	.	H	α-helix	trans	-75.4	-22.4	172.2	-66.3	-179.7	174.4	-171.1	0	112.7	T135 F136 N214 E358 S360	T135-K138 WeakPolarHBondContact O-CB 3.29Å; T135-K138 PolarHBondContact O-N 3.09Å; T135-K138 VanDerWaalsContact O-N 3.13Å; F136-K138 PolarHBondContact O-N 3.38Å; K138-N214 PolarHBondContact O-ND2 3.47Å; K138-E358 PolarHBondContact NZ-O 3.07Å; K138-S360 PolarHBondContact NZ-O 3.3Å
139	M	85.7	Confident	86.7	Confident	39 Å²	39	59 Å²	59	19%	0.192	28%	0.281	C	S	.	.	H	α-helix	trans	-100.7	-9.9	-178.2	-59.5	-175.3	-60.2	0	0	113	T135 F136 R137 P217 V218	T135-M139 HydrophobicContact CG2-CE 3.98Å; T135-M139 HydrophobicContact CG2-SD 4.34Å; T135-M139 WeakPolarHBondContact O-CG 3.44Å; T135-M139 PolarHBondContact O-N 3.44Å; F136-M139 HydrophobicContact CD2-CE 4.45Å; F136-M139 CarbonylContact O-C 3.13Å; F136-M139 WeakPolarHBondContact O-CA 3.34Å; F136-M139 WeakPolarHBondContact O-CB 3.33Å; F136-M139 PolarHBondContact O-N 3.41Å; R137-M139 VanDerWaalsContact C-N 3.31Å; M139-P217 HydrophobicContact CB-CG 3.93Å; M139-P217 WeakPolarHBondContact O-CD 3.48Å; M139-P217 VanDerWaalsContact O-CG 3.32Å; M139-P217 WeakPolarHBondContact O-CG 3.49Å; M139-V218 PolarHBondContact O-N 3.43Å
140	S	90.1	Very high	86.8	Confident	14 Å²	14	51.3 Å²	51.3	10%	0.098	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.9	-179.3	66.4	0	0	0	0	111.9	F136 R137 V218	F136-S140 PolarHBondContact O-N 2.94Å; F136-S140 PolarHBondContact O-OG 3.09Å; R137-S140 VanDerWaalsContact O-O 3.1Å; S140-V218 VanDerWaalsContact CA-O 3.27Å; S140-V218 WeakPolarHBondContact CA-O 3.16Å
141	C	91.4	Very high	86.8	Confident	5 Å²	5	49 Å²	49	3%	0.034	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	148.5	165.8	68.7	0	0	0	0	111.4	E211 P216 V218 M219 F220	C141-E211 HydrophobicContact CB-CB 4.14Å; C141-E211 HydrophobicContact CB-CG 4.42Å; C141-P216 HydrophobicContact CB-CB 4.28Å; C141-P216 HydrophobicContact CB-CG 4.06Å; C141-P216 VanDerWaalsContact SG-CG 3.57Å; C141-V218 PolarHBondContact N-O 3Å; C141-M219 VanDerWaalsContact SG-CE 3.53Å; C141-F220 PolarHBondContact O-N 3.2Å
142	Y	92.1	Very high	86.8	Confident	5 Å²	5	48.2 Å²	48.2	2%	0.02	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.5	172.3	-163.6	-81.2	0	0	0	110.2	M109 N110 A113 Y115 M144 F220 D222 N455	M109-Y142 HydrophobicContact CB-CE2 4.45Å; M109-Y142 HydrophobicContact CG-CE2 3.72Å; M109-Y142 HydrophobicContact SD-CE2 3.82Å; N110-Y142 PolarHBondContact OD1-OH 3.45Å; A113-Y142 HydrophobicContact CB-CD2 3.67Å; A113-Y142 HydrophobicContact CB-CE2 4.22Å; Y115-Y142 HydrophobicContact CD2-CD2 4.19Å; Y115-Y142 HydrophobicContact CD2-CE2 4.49Å; Y115-Y142 HydrophobicContact CD2-CG 4.26Å; Y115-Y142 AromaticContact CE2-CD1 3.88Å; Y115-Y142 HydrophobicContact CE2-CD1 3.88Å; Y115-Y142 AromaticContact CE2-CD2 3.85Å; Y115-Y142 HydrophobicContact CE2-CD2 3.85Å; Y115-Y142 HydrophobicContact CE2-CE2 4.49Å; Y115-Y142 AromaticContact CE2-CG 3.49Å; Y115-Y142 HydrophobicContact CE2-CG 3.49Å; Y115-Y142 VanDerWaalsContact CE2-CG 3.49Å; Y115-Y142 VanDerWaalsContact OH-CB 3.25Å; Y115-Y142 WeakPolarHBondContact OH-CB 3.32Å; Y142-M144 HydrophobicContact CD1-CG 3.87Å; Y142-M144 HydrophobicContact CE1-CG 4.06Å; Y142-F220 HydrophobicContact CD2-CB 3.64Å; Y142-F220 HydrophobicContact CD2-CG 4.26Å; Y142-F220 HydrophobicContact CE2-CB 4.16Å; Y142-F220 HydrophobicContact CG-CB 4.26Å; Y142-D222 HydrophobicContact CE1-CB 3.97Å; Y142-D222 PolarHBondContact OH-OD2 3.47Å; Y142-N455 PolarHBondContact N-OD1 3.44Å; Y142-N455 VanDerWaalsContact N-OD1 3.08Å; Y142-N455 PolarHBondContact O-ND2 3.06Å; Y142-N455 PolarHBondContact O-OD1 3.24Å
143	I	92.2	Very high	87.2	Confident	7 Å²	7	44.5 Å²	44.5	4%	0.036	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.1	174.9	-63.7	164.5	0	0	0	106.7	I208 E211 M219 F220 F221 D222	I143-I208 HydrophobicContact CD1-CB 4.42Å; I143-I208 HydrophobicContact CD1-CG1 4.05Å; I143-I208 HydrophobicContact CD1-CG2 4.43Å; I143-E211 HydrophobicContact CG1-CG 4.29Å; I143-M219 HydrophobicContact CD1-CE 4.13Å; I143-F220 PolarHBondContact N-O 3.03Å; I143-F221 HydrophobicContact CB-CD1 4.15Å; I143-F221 HydrophobicContact CD1-CD1 3.72Å; I143-F221 HydrophobicContact CD1-CE1 3.32Å; I143-F221 HydrophobicContact CD1-CE2 4.32Å; I143-F221 HydrophobicContact CD1-CG 4.39Å; I143-F221 HydrophobicContact CD1-CZ 3.65Å; I143-F221 HydrophobicContact CG2-CD1 4.29Å; I143-D222 PolarHBondContact O-N 2.86Å
144	M	88.3	Confident	87.7	Confident	66 Å²	66	43.8 Å²	43.8	33%	0.325	21%	0.214	S	C	.	.			trans	-72.9	166.1	-177.9	-58	-177.8	112.1	0	0	111	Y142 K204 R451	Y142-M144 HydrophobicContact CD1-CG 3.87Å; Y142-M144 HydrophobicContact CE1-CG 4.06Å; M144-K204 PolarHBondContact O-NZ 3.27Å; M144-R451 HydrophobicContact SD-CB 4.17Å; M144-R451 HydrophobicContact SD-CG 4.26Å
145	Q	87.4	Confident	88.4	Confident	80 Å²	80	34.6 Å²	34.6	37%	0.374	18%	0.179	S	C	.	.	S	Bend	trans	-59.8	-55.4	175.7	178.7	169.6	6.2	0	0	111	K204 D222 E223	Q145-K204 PolarHBondContact O-NZ 3.19Å; Q145-D222 VanDerWaalsContact CA-O 3.31Å; Q145-D222 WeakPolarHBondContact CA-O 3.25Å; Q145-E223 HydrophobicContact CG-CB 4.26Å; Q145-E223 PolarHBondContact NE2-OE2 2.94Å
146	D	82.4	Confident	88.9	Confident	111 Å²	111	34.6 Å²	34.6	59%	0.594	18%	0.175	S	C	*	.	S	Bend	trans	-81	129	177.1	-62.3	-32.9	0	0	0	111.7	M148	D146-M148 VanDerWaalsContact C-N 3.34Å; D146-M148 HydrophobicContact CB-CG 4.34Å; D146-M148 HydrophobicContact CB-SD 3.67Å; D146-M148 PolarHBondContact O-N 2.92Å
147	D	79.6	Confident	89.3	Confident	45 Å²	45	36.9 Å²	36.9	24%	0.241	19%	0.185	C	C	.	.			trans	-81.1	80.2	179.6	-63.3	-35.8	0	0	0	111	L149 K204	D147-L149 PolarHBondContact O-N 2.84Å; D147-K204 VanDerWaalsContact CG-CD 3.48Å; D147-K204 WeakPolarHBondContact OD1-CD 3.5Å; D147-K204 WeakPolarHBondContact OD1-CE 3.4Å; D147-K204 IonicContact OD1-NZ 2.66Å; D147-K204 PolarHBondContact OD1-NZ 2.71Å; D147-K204 WeakPolarHBondContact OD2-CA 3.42Å; D147-K204 WeakPolarHBondContact OD2-CD 3.45Å; D147-K204 PolarHBondContact OD2-N 2.99Å; D147-K204 IonicContact OD2-NZ 3.81Å
148	M	81.2	Confident	89.8	Confident	58 Å²	58	36 Å²	36	29%	0.286	19%	0.185	S	C	.	.			trans	-76.1	88.2	-179.4	-50.8	-49.4	-90	0	0	111	D146 S447 V448 R451	D146-M148 VanDerWaalsContact C-N 3.34Å; D146-M148 HydrophobicContact CB-CG 4.34Å; D146-M148 HydrophobicContact CB-SD 3.67Å; D146-M148 PolarHBondContact O-N 2.92Å; M148-S447 VanDerWaalsContact CE-CB 3.5Å; M148-S447 WeakPolarHBondContact CE-OG 3.23Å; M148-V448 HydrophobicContact CB-CG2 4Å; M148-R451 PolarHBondContact O-NE 2.99Å; M148-R451 PolarHBondContact O-NH2 3.38Å
149	L	90.1	Very high	90.5	Very high	24 Å²	24	32.4 Å²	32.4	13%	0.126	17%	0.169	C	C	.	.			trans	-108.6	154.3	175.8	-58.8	-175.4	0	0	0	111.9	D147 T195 C203 L206 L210	D147-L149 PolarHBondContact O-N 2.84Å; L149-T195 HydrophobicContact CB-CG2 4.49Å; L149-T195 HydrophobicContact CD1-CG2 4.31Å; L149-C203 VanDerWaalsContact CD1-SG 3.51Å; L149-L206 HydrophobicContact CD1-CB 4.45Å; L149-L206 HydrophobicContact CD1-CD2 3.85Å; L149-L206 HydrophobicContact CD1-CG 4.19Å; L149-L210 HydrophobicContact CD2-CD1 3.45Å; L149-L210 VanDerWaalsContact CD2-CD1 3.45Å
150	L	91.6	Very high	91	Very high	25 Å²	25	32.2 Å²	32.2	13%	0.131	17%	0.168	C	C	.	.			trans	-75.9	119.4	173.5	-67.1	173.2	0	0	0	110	N152 L153 T195 R376 V448	L150-N152 PolarHBondContact O-N 2.89Å; L150-L153 HydrophobicContact CB-CD1 3.98Å; L150-L153 HydrophobicContact CB-CG 4.21Å; L150-L153 HydrophobicContact CD1-CD1 3.67Å; L150-L153 HydrophobicContact CG-CD1 4.46Å; L150-T195 PolarHBondContact O-OG1 3.08Å; L150-R376 HydrophobicContact CD1-CG 4.16Å; L150-V448 HydrophobicContact CD2-CB 4.4Å; L150-V448 HydrophobicContact CD2-CG1 4.16Å; L150-V448 HydrophobicContact CD2-CG2 4.32Å; L150-V448 HydrophobicContact CG-CG1 4.11Å
151	P	89.1	Confident	91.2	Very high	60 Å²	60	32.5 Å²	32.5	39%	0.39	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-25.6	-166.2	25.3	-35.2	0	0	0	115.6	T195 H196	P151-T195 WeakPolarHBondContact CA-OG1 3.22Å; P151-T195 PolarHBondContact O-OG1 3.43Å; P151-T195 VanDerWaalsContact O-OG1 3.08Å; P151-H196 HydrophobicContact CB-CB 3.85Å; P151-H196 PolarHBondContact O-N 3.06Å; P151-H196 PolarHBondContact O-ND1 3.38Å; P151-H196 VanDerWaalsContact O-ND1 3.07Å
152	N	91.7	Very high	91.3	Very high	19 Å²	19	32.2 Å²	32.2	10%	0.102	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	0.5	-171.3	-59.8	-25.3	0	0	0	113.7	L150 T380 R383 D384	L150-N152 PolarHBondContact O-N 2.89Å; N152-T380 HydrophobicContact CB-CG2 4.2Å; N152-T380 PolarHBondContact ND2-O 3.44Å; N152-R383 HydrophobicContact CB-CB 4.32Å; N152-D384 WeakPolarHBondContact ND2-CB 3.35Å; N152-D384 PolarHBondContact ND2-OD2 2.97Å
153	L	94.1	Very high	91.3	Very high	7 Å²	7	32 Å²	32	4%	0.037	17%	0.167	C	C	.	.	S	Bend	trans	-92.6	150.6	174.3	-62.4	-178.6	0	0	0	110.3	L150 E157 R194 T195 R376 I379	L150-L153 HydrophobicContact CB-CD1 3.98Å; L150-L153 HydrophobicContact CB-CG 4.21Å; L150-L153 HydrophobicContact CD1-CD1 3.67Å; L150-L153 HydrophobicContact CG-CD1 4.46Å; L153-E157 HydrophobicContact CB-CB 4.47Å; L153-R194 WeakPolarHBondContact O-CA 3.45Å; L153-T195 WeakPolarHBondContact O-CG2 3.35Å; L153-T195 PolarHBondContact O-N 3.5Å; L153-T195 PolarHBondContact O-OG1 3.34Å; L153-R376 HydrophobicContact CD1-CG 3.9Å; L153-I379 HydrophobicContact CD2-CG2 4.42Å
154	T	95.6	Very high	91.4	Very high	11 Å²	11	34.3 Å²	34.3	7%	0.067	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-77.7	158.9	168	70	0	0	0	0	110.9	R156 E157 A158 Q192 T193	T154-R156 VanDerWaalsContact C-N 3.26Å; T154-R156 PolarHBondContact O-N 2.81Å; T154-E157 PolarHBondContact N-OE2 3.28Å; T154-E157 PolarHBondContact O-N 3.28Å; T154-E157 VanDerWaalsContact O-N 3.15Å; T154-E157 WeakPolarHBondContact OG1-CB 3.4Å; T154-E157 VanDerWaalsContact OG1-CD 3.32Å; T154-E157 WeakPolarHBondContact OG1-CG 3.41Å; T154-E157 PolarHBondContact OG1-N 2.75Å; T154-E157 PolarHBondContact OG1-OE2 3.4Å; T154-A158 PolarHBondContact O-N 3.23Å; T154-Q192 VanDerWaalsContact CG2-O 3.32Å; T154-Q192 WeakPolarHBondContact CG2-O 3.27Å; T154-T193 VanDerWaalsContact CA-O 3.28Å; T154-T193 WeakPolarHBondContact CA-O 3.38Å
155	A	95.7	Very high	91.6	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-54.1	-44	176.6	0	0	0	0	0	112	A158 M159 T193 L206	A155-A158 PolarHBondContact O-N 3.08Å; A155-M159 VanDerWaalsContact O-CG 3.31Å; A155-M159 WeakPolarHBondContact O-CG 3.46Å; A155-M159 PolarHBondContact O-N 3.41Å; A155-T193 PolarHBondContact N-O 3.2Å; A155-L206 HydrophobicContact CB-CD1 4.04Å; A155-L206 HydrophobicContact CB-CD2 3.85Å
156	R	96	Very high	91.6	Very high	42 Å²	42	28 Å²	28	16%	0.158	15%	0.147	C	C	.	.	H	α-helix	trans	-64.6	-42.7	176.2	-179.1	177.2	-67.6	-83.6	-3.9	112.7	T154 M159 M160 D179 A191	T154-R156 VanDerWaalsContact C-N 3.26Å; T154-R156 PolarHBondContact O-N 2.81Å; R156-M159 PolarHBondContact O-N 2.9Å; R156-M160 HydrophobicContact CG-CG 4.47Å; R156-M160 WeakPolarHBondContact O-CB 3.27Å; R156-M160 VanDerWaalsContact O-CG 3.3Å; R156-M160 WeakPolarHBondContact O-CG 3.33Å; R156-M160 PolarHBondContact O-N 2.79Å; R156-D179 IonicContact CZ-OD1 3.53Å; R156-D179 IonicContact NH1-OD1 2.82Å; R156-D179 PolarHBondContact NH1-OD1 3.15Å; R156-D179 IonicContact NH1-OD2 3.31Å; R156-D179 PolarHBondContact NH1-OD2 3.2Å; R156-D179 IonicContact NH2-OD1 3.22Å; R156-D179 PolarHBondContact NH2-OD1 3.49Å; R156-A191 HydrophobicContact CB-CB 4.45Å; R156-A191 WeakPolarHBondContact CB-O 3.4Å; R156-A191 PolarHBondContact N-O 3.24Å
157	E	95.5	Very high	91.9	Very high	49 Å²	49	23.6 Å²	23.6	23%	0.229	12%	0.123	C	C	.	.	H	α-helix	trans	-64.7	-42.6	177.9	-74.4	167.7	171.5	0	0	111.9	L153 T154 M159 M160 V161 R383	L153-E157 HydrophobicContact CB-CB 4.47Å; T154-E157 PolarHBondContact N-OE2 3.28Å; T154-E157 PolarHBondContact O-N 3.28Å; T154-E157 VanDerWaalsContact O-N 3.15Å; T154-E157 WeakPolarHBondContact OG1-CB 3.4Å; T154-E157 VanDerWaalsContact OG1-CD 3.32Å; T154-E157 WeakPolarHBondContact OG1-CG 3.41Å; T154-E157 PolarHBondContact OG1-N 2.75Å; T154-E157 PolarHBondContact OG1-OE2 3.4Å; E157-M159 VanDerWaalsContact C-N 3.32Å; E157-M159 PolarHBondContact O-N 3.04Å; E157-M160 PolarHBondContact O-N 2.78Å; E157-V161 WeakPolarHBondContact O-CG2 3.43Å; E157-V161 PolarHBondContact O-N 3.38Å; E157-R383 IonicContact OE1-CZ 3.22Å; E157-R383 VanDerWaalsContact OE1-CZ 3.23Å; E157-R383 IonicContact OE1-NH1 3.42Å; E157-R383 PolarHBondContact OE1-NH1 3.32Å; E157-R383 IonicContact OE1-NH2 3.38Å; E157-R383 PolarHBondContact OE1-NH2 3.45Å; E157-R383 IonicContact OE2-CZ 2.74Å; E157-R383 IonicContact OE2-NH1 2.71Å; E157-R383 PolarHBondContact OE2-NH1 3.22Å; E157-R383 IonicContact OE2-NH2 3.28Å
158	A	95.4	Very high	92.1	Very high	13 Å²	13	26 Å²	26	11%	0.107	14%	0.136	C	C	.	.	H	α-helix	trans	-60.1	-43.7	175.5	0	0	0	0	0	111.2	T154 A155 V161 S162 L210	T154-A158 PolarHBondContact O-N 3.23Å; A155-A158 PolarHBondContact O-N 3.08Å; A158-V161 PolarHBondContact O-N 3.02Å; A158-S162 PolarHBondContact O-N 3.49Å; A158-L210 VanDerWaalsContact C-CD2 3.43Å; A158-L210 HydrophobicContact CB-CD2 4Å; A158-L210 VanDerWaalsContact O-CD2 3.31Å; A158-L210 WeakPolarHBondContact O-CD2 3.31Å
159	M	95.3	Very high	92.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.7	-44.3	174.9	-74.6	-66.2	-70	0	0	112.6	A155 R156 E157 V161 S162 A163 V178 I181 L182 L206 A209 L210 V213	A155-M159 VanDerWaalsContact O-CG 3.31Å; A155-M159 WeakPolarHBondContact O-CG 3.46Å; A155-M159 PolarHBondContact O-N 3.41Å; R156-M159 PolarHBondContact O-N 2.9Å; E157-M159 VanDerWaalsContact C-N 3.32Å; E157-M159 PolarHBondContact O-N 3.04Å; M159-V161 PolarHBondContact O-N 3.46Å; M159-S162 WeakPolarHBondContact O-CB 3.41Å; M159-S162 PolarHBondContact O-N 3.32Å; M159-A163 WeakPolarHBondContact O-CB 3.44Å; M159-A163 PolarHBondContact O-N 3.03Å; M159-V178 HydrophobicContact CB-CB 4.48Å; M159-V178 HydrophobicContact CB-CG1 3.59Å; M159-V178 HydrophobicContact CB-CG2 4.05Å; M159-V178 HydrophobicContact CE-CG2 4.47Å; M159-V178 HydrophobicContact CG-CG1 4.38Å; M159-I181 HydrophobicContact CE-CB 4Å; M159-I181 HydrophobicContact CE-CD1 4.09Å; M159-I181 HydrophobicContact CE-CG2 3.67Å; M159-L182 HydrophobicContact CG-CD2 4.21Å; M159-L206 HydrophobicContact CG-CD1 3.97Å; M159-L206 HydrophobicContact SD-CD1 4.28Å; M159-A209 HydrophobicContact CE-CB 3.94Å; M159-A209 VanDerWaalsContact SD-C 3.5Å; M159-A209 HydrophobicContact SD-CB 3.54Å; M159-A209 VanDerWaalsContact SD-CB 3.54Å; M159-L210 HydrophobicContact CG-CD2 4.2Å; M159-L210 HydrophobicContact SD-CD2 3.71Å; M159-L210 HydrophobicContact SD-CG 4.09Å; M159-V213 HydrophobicContact CE-CG2 3.73Å; M159-V213 HydrophobicContact SD-CG2 4.41Å
160	M	95.6	Very high	92.3	Very high	34 Å²	34	30.6 Å²	30.6	17%	0.167	16%	0.163	C	C	.	.	H	α-helix	trans	-63.9	-39.8	176.8	-73.2	-58.3	-57.9	0	0	112	R156 E157 A163 H164 K174 V178	R156-M160 HydrophobicContact CG-CG 4.47Å; R156-M160 WeakPolarHBondContact O-CB 3.27Å; R156-M160 VanDerWaalsContact O-CG 3.3Å; R156-M160 WeakPolarHBondContact O-CG 3.33Å; R156-M160 PolarHBondContact O-N 2.79Å; E157-M160 PolarHBondContact O-N 2.78Å; M160-A163 PolarHBondContact O-N 3.08Å; M160-H164 WeakPolarHBondContact CE-NE2 3.36Å; M160-H164 WeakPolarHBondContact O-CB 3.3Å; M160-H164 PolarHBondContact O-CD2 2.92Å; M160-H164 PolarHBondContact O-N 3.19Å; M160-K174 HydrophobicContact CE-CB 4.4Å; M160-V178 HydrophobicContact SD-CB 4.2Å; M160-V178 HydrophobicContact SD-CG1 4.43Å; M160-V178 HydrophobicContact SD-CG2 3.9Å
161	V	94.8	Very high	92.2	Very high	20 Å²	20	33.9 Å²	33.9	12%	0.121	18%	0.184	C	C	.	.	H	α-helix	trans	-59.1	-47.4	173.1	164.8	0	0	0	0	110.5	E157 A158 M159 A163 H164 L165 I372 R376	E157-V161 WeakPolarHBondContact O-CG2 3.43Å; E157-V161 PolarHBondContact O-N 3.38Å; A158-V161 PolarHBondContact O-N 3.02Å; M159-V161 PolarHBondContact O-N 3.46Å; V161-A163 PolarHBondContact O-N 3.29Å; V161-H164 PolarHBondContact O-N 3.15Å; V161-L165 HydrophobicContact CG1-CD1 3.73Å; V161-L165 WeakPolarHBondContact O-CD1 3.45Å; V161-L165 VanDerWaalsContact O-CG 3.27Å; V161-L165 WeakPolarHBondContact O-CG 3.38Å; V161-L165 PolarHBondContact O-N 3.15Å; V161-L165 VanDerWaalsContact O-N 3.07Å; V161-I372 HydrophobicContact CG1-CG2 4.49Å; V161-R376 HydrophobicContact CG2-CB 4.4Å; V161-R376 HydrophobicContact CG2-CG 4.25Å
162	S	93.5	Very high	92.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.9	-47.5	176	-174.9	0	0	0	0	111.5	A158 M159 H164 L165 K166 L210	A158-S162 PolarHBondContact O-N 3.49Å; M159-S162 WeakPolarHBondContact O-CB 3.41Å; M159-S162 PolarHBondContact O-N 3.32Å; S162-H164 PolarHBondContact O-N 3.33Å; S162-L165 PolarHBondContact O-N 2.83Å; S162-K166 WeakPolarHBondContact O-CB 3.34Å; S162-K166 WeakPolarHBondContact O-CG 3.4Å; S162-K166 PolarHBondContact O-N 3.16Å; S162-L210 PolarHBondContact OG-O 3.48Å
163	A	93.3	Very high	92.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-42	177.7	0	0	0	0	0	112.9	M159 M160 V161 L165 L167 K174 V178 V213	M159-A163 WeakPolarHBondContact O-CB 3.44Å; M159-A163 PolarHBondContact O-N 3.03Å; M160-A163 PolarHBondContact O-N 3.08Å; V161-A163 PolarHBondContact O-N 3.29Å; A163-L165 VanDerWaalsContact C-N 3.31Å; A163-L165 PolarHBondContact O-N 2.66Å; A163-L167 HydrophobicContact CB-CD1 4.4Å; A163-L167 WeakPolarHBondContact O-CB 3.06Å; A163-L167 PolarHBondContact O-N 3.3Å; A163-K174 HydrophobicContact CB-CB 4.22Å; A163-K174 HydrophobicContact CB-CG 4.28Å; A163-K174 WeakPolarHBondContact O-CE 3.38Å; A163-V178 HydrophobicContact CB-CG2 4.06Å; A163-V213 HydrophobicContact CB-CG1 4.06Å
164	H	93	Very high	92.2	Very high	56 Å²	56	38 Å²	38	26%	0.259	20%	0.2	S	C	.	.	H	α-helix	trans	-67.2	-30.4	176.9	-74.9	-58.6	0	0	0	113.3	M160 V161 S162 I372	M160-H164 WeakPolarHBondContact CE-NE2 3.36Å; M160-H164 WeakPolarHBondContact O-CB 3.3Å; M160-H164 PolarHBondContact O-CD2 2.92Å; M160-H164 PolarHBondContact O-N 3.19Å; V161-H164 PolarHBondContact O-N 3.15Å; S162-H164 PolarHBondContact O-N 3.33Å; H164-I372 HydrophobicContact CB-CD1 3.73Å; H164-I372 HydrophobicContact CB-CG1 4.23Å; H164-I372 HydrophobicContact CB-CG2 4.37Å; H164-I372 WeakPolarHBondContact O-CD1 3.34Å
165	L	91.9	Very high	92.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-83.3	-36.9	-179.7	-70.4	166	0	0	0	112.7	V161 S162 A163 T364 Q369 I372 L373 W457 Y458	V161-L165 HydrophobicContact CG1-CD1 3.73Å; V161-L165 WeakPolarHBondContact O-CD1 3.45Å; V161-L165 VanDerWaalsContact O-CG 3.27Å; V161-L165 WeakPolarHBondContact O-CG 3.38Å; V161-L165 PolarHBondContact O-N 3.15Å; V161-L165 VanDerWaalsContact O-N 3.07Å; S162-L165 PolarHBondContact O-N 2.83Å; A163-L165 VanDerWaalsContact C-N 3.31Å; A163-L165 PolarHBondContact O-N 2.66Å; L165-T364 WeakPolarHBondContact O-CG2 3.28Å; L165-T364 PolarHBondContact O-OG1 2.83Å; L165-T364 VanDerWaalsContact O-OG1 3.08Å; L165-Q369 HydrophobicContact CD2-CB 4.5Å; L165-Q369 HydrophobicContact CD2-CG 4.34Å; L165-I372 HydrophobicContact CD1-CG2 4.5Å; L165-I372 HydrophobicContact CD2-CB 4.19Å; L165-I372 HydrophobicContact CD2-CD1 4.05Å; L165-I372 HydrophobicContact CD2-CG2 4.04Å; L165-I372 HydrophobicContact CG-CD1 4.46Å; L165-I372 HydrophobicContact CG-CG2 4.04Å; L165-L373 HydrophobicContact CD1-CD2 4.34Å; L165-L373 HydrophobicContact CD2-CG 4.5Å; L165-W457 HydrophobicContact CD1-CE3 3.97Å; L165-Y458 HydrophobicContact CD1-CD1 3.92Å; L165-Y458 HydrophobicContact CD1-CE1 4.36Å; L165-Y458 HydrophobicContact CD2-CD1 4.41Å
166	K	88.9	Confident	91.9	Very high	14 Å²	14	46.1 Å²	46.1	6%	0.061	24%	0.235	C	C	.	.	H	α-helix	trans	-95.1	-24.8	-172.1	-65.1	-177.3	179.3	-177.9	0	114.7	S162 L210 E211 N214 P363	S162-K166 WeakPolarHBondContact O-CB 3.34Å; S162-K166 WeakPolarHBondContact O-CG 3.4Å; S162-K166 PolarHBondContact O-N 3.16Å; K166-L210 PolarHBondContact NZ-O 2.93Å; K166-E211 IonicContact NZ-OE1 2.7Å; K166-E211 IonicContact NZ-OE2 3.13Å; K166-E211 PolarHBondContact NZ-OE2 2.99Å; K166-N214 HydrophobicContact CD-CB 4.15Å; K166-P363 WeakPolarHBondContact O-CG 3.28Å
167	L	87.5	Confident	91.7	Very high	17 Å²	17	44.3 Å²	44.3	9%	0.089	23%	0.229	C	C	.	.			trans	-115.2	139.7	-174.4	-56.3	173.7	0	0	0	111.7	A163 E169 K174 L177 V213	A163-L167 HydrophobicContact CB-CD1 4.4Å; A163-L167 WeakPolarHBondContact O-CB 3.06Å; A163-L167 PolarHBondContact O-N 3.3Å; L167-E169 VanDerWaalsContact C-N 3.31Å; L167-E169 HydrophobicContact CB-CG 4.48Å; L167-K174 HydrophobicContact CD1-CG 4.47Å; L167-K174 WeakPolarHBondContact O-CE 3.22Å; L167-K174 PolarHBondContact O-NZ 3.49Å; L167-L177 HydrophobicContact CD1-CD2 3.42Å; L167-L177 VanDerWaalsContact CD1-CD2 3.42Å; L167-V213 HydrophobicContact CD1-CG1 3.68Å; L167-V213 HydrophobicContact CG-CG1 3.97Å
168	N	85.4	Confident	91.6	Very high	97 Å²	97	42 Å²	42	52%	0.519	22%	0.218	S	C	.	.			trans	-96.1	28.3	173.6	-74.9	-14.9	0	0	0	112.8	P363 T364	N168-P363 PolarHBondContact ND2-O 2.83Å; N168-P363 PolarHBondContact OD1-O 2.87Å; N168-T364 VanDerWaalsContact OD1-CG2 3.32Å; N168-T364 WeakPolarHBondContact OD1-CG2 3.35Å
169	E	84.7	Confident	91.5	Very high	113 Å²	113	43.2 Å²	43.2	53%	0.528	22%	0.223	S	C	.	.	S	Bend	trans	-93.1	168.8	-178.3	-62.7	-57.5	151.5	0	0	113.5	L167 V173 K174	L167-E169 VanDerWaalsContact C-N 3.31Å; L167-E169 HydrophobicContact CB-CG 4.48Å; E169-V173 HydrophobicContact CB-CB 4.34Å; E169-V173 HydrophobicContact CB-CG1 4.21Å; E169-V173 HydrophobicContact CG-CG1 4.41Å; E169-K174 HydrophobicContact CB-CG 4.32Å; E169-K174 WeakPolarHBondContact O-CE 3.03Å; E169-K174 PolarHBondContact O-NZ 3.19Å
170	S	88.8	Confident	91.3	Very high	65 Å²	65	45.2 Å²	45.2	46%	0.455	23%	0.232	S	C	.	.			trans	-60.8	154.4	171.9	78.4	0	0	0	0	111.6	Q172 V173 K174	S170-Q172 PolarHBondContact O-N 2.97Å; S170-V173 PolarHBondContact O-N 3.42Å; S170-V173 WeakPolarHBondContact OG-CG2 3.39Å; S170-V173 PolarHBondContact OG-N 3.39Å; S170-K174 WeakPolarHBondContact O-CG 3.35Å; S170-K174 PolarHBondContact O-N 2.97Å; S170-K174 VanDerWaalsContact O-N 3.08Å
171	V	90.6	Very high	91.1	Very high	94 Å²	94	43.6 Å²	43.6	57%	0.57	22%	0.224	S	C	*	.	H	α-helix	trans	-62.2	-33.5	-178.2	-178.7	0	0	0	0	111.8	K174 K175	V171-K174 PolarHBondContact O-N 2.93Å; V171-K175 PolarHBondContact O-N 3.36Å
172	Q	91.6	Very high	91	Very high	111 Å²	111	42.7 Å²	42.7	52%	0.519	22%	0.218	S	C	.	.	H	α-helix	trans	-67.6	-47.9	-179.9	-174.6	60.3	20	0	0	111.5	S170 K174 K175 E176	S170-Q172 PolarHBondContact O-N 2.97Å; Q172-K174 VanDerWaalsContact C-N 3.29Å; Q172-K174 PolarHBondContact O-N 3.44Å; Q172-K175 WeakPolarHBondContact O-CB 3.48Å; Q172-K175 PolarHBondContact O-N 3.33Å; Q172-K175 VanDerWaalsContact O-N 3.09Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.39Å; Q172-E176 PolarHBondContact NE2-OE1 2.95Å; Q172-E176 PolarHBondContact O-N 3.12Å
173	V	90.3	Very high	90.9	Very high	44 Å²	44	46 Å²	46	27%	0.267	24%	0.239	S	C	.	.	H	α-helix	trans	-61.6	-40	176.2	174.4	0	0	0	0	111	E169 S170 K175 E176 L177	E169-V173 HydrophobicContact CB-CB 4.34Å; E169-V173 HydrophobicContact CB-CG1 4.21Å; E169-V173 HydrophobicContact CG-CG1 4.41Å; S170-V173 PolarHBondContact O-N 3.42Å; S170-V173 WeakPolarHBondContact OG-CG2 3.39Å; S170-V173 PolarHBondContact OG-N 3.39Å; V173-K175 VanDerWaalsContact C-N 3.31Å; V173-K175 PolarHBondContact O-N 2.76Å; V173-E176 PolarHBondContact O-N 3.24Å; V173-L177 WeakPolarHBondContact O-CB 3.35Å; V173-L177 PolarHBondContact O-N 3.29Å
174	K	92.2	Very high	90.5	Very high	18 Å²	18	46.4 Å²	46.4	8%	0.078	24%	0.242	C	C	.	.	H	α-helix	trans	-59.6	-41.6	174.7	-74.9	168.6	170.9	157.7	0	112.1	M160 A163 L167 E169 S170 V171 Q172 V178	M160-K174 HydrophobicContact CE-CB 4.4Å; A163-K174 HydrophobicContact CB-CB 4.22Å; A163-K174 HydrophobicContact CB-CG 4.28Å; A163-K174 WeakPolarHBondContact O-CE 3.38Å; L167-K174 HydrophobicContact CD1-CG 4.47Å; L167-K174 WeakPolarHBondContact O-CE 3.22Å; L167-K174 PolarHBondContact O-NZ 3.49Å; E169-K174 HydrophobicContact CB-CG 4.32Å; E169-K174 WeakPolarHBondContact O-CE 3.03Å; E169-K174 PolarHBondContact O-NZ 3.19Å; S170-K174 WeakPolarHBondContact O-CG 3.35Å; S170-K174 PolarHBondContact O-N 2.97Å; S170-K174 VanDerWaalsContact O-N 3.08Å; V171-K174 PolarHBondContact O-N 2.93Å; Q172-K174 VanDerWaalsContact C-N 3.29Å; Q172-K174 PolarHBondContact O-N 3.44Å; K174-V178 VanDerWaalsContact O-CG2 3.25Å; K174-V178 WeakPolarHBondContact O-CG2 3.22Å; K174-V178 PolarHBondContact O-N 3.08Å
175	K	93.6	Very high	90.3	Very high	104 Å²	104	43.9 Å²	43.9	45%	0.452	23%	0.23	S	C	.	.	H	α-helix	trans	-67.7	-46.9	179.8	-172.4	-177.2	176	-171.7	0	111.4	V171 Q172 V173 L177 V178 D179	V171-K175 PolarHBondContact O-N 3.36Å; Q172-K175 WeakPolarHBondContact O-CB 3.48Å; Q172-K175 PolarHBondContact O-N 3.33Å; Q172-K175 VanDerWaalsContact O-N 3.09Å; V173-K175 VanDerWaalsContact C-N 3.31Å; V173-K175 PolarHBondContact O-N 2.76Å; K175-L177 VanDerWaalsContact C-N 3.34Å; K175-L177 PolarHBondContact O-N 2.96Å; K175-V178 PolarHBondContact O-N 2.97Å; K175-D179 PolarHBondContact O-N 2.91Å
176	E	91.9	Very high	90.2	Very high	78 Å²	78	45.6 Å²	45.6	36%	0.364	25%	0.248	S	C	.	.	H	α-helix	trans	-59.4	-44.6	177.1	-72.6	165.3	-168.9	0	0	111.5	H49 Q172 V173 V178 D179 E180	H49-E176 IonicContact CE1-OE2 3.99Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.39Å; Q172-E176 PolarHBondContact NE2-OE1 2.95Å; Q172-E176 PolarHBondContact O-N 3.12Å; V173-E176 PolarHBondContact O-N 3.24Å; E176-V178 PolarHBondContact O-N 3.17Å; E176-D179 PolarHBondContact O-N 2.96Å; E176-E180 WeakPolarHBondContact O-CB 3.37Å; E176-E180 PolarHBondContact O-N 3.04Å
177	L	91.2	Very high	90.3	Very high	4 Å²	4	45 Å²	45	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-61.6	-42.6	175.2	177.4	66.7	0	0	0	112.5	H49 L50 L167 V173 K175 D179 E180 I181	H49-L177 HydrophobicContact CB-CB 4.27Å; H49-L177 HydrophobicContact CB-CD1 3.94Å; L50-L177 HydrophobicContact CD2-CD1 3.52Å; L50-L177 HydrophobicContact CD2-CD2 4.18Å; L50-L177 HydrophobicContact CD2-CG 4.35Å; L50-L177 HydrophobicContact CG-CD1 3.8Å; L167-L177 HydrophobicContact CD1-CD2 3.42Å; L167-L177 VanDerWaalsContact CD1-CD2 3.42Å; V173-L177 WeakPolarHBondContact O-CB 3.35Å; V173-L177 PolarHBondContact O-N 3.29Å; K175-L177 VanDerWaalsContact C-N 3.34Å; K175-L177 PolarHBondContact O-N 2.96Å; L177-D179 VanDerWaalsContact C-N 3.33Å; L177-D179 PolarHBondContact O-N 2.88Å; L177-E180 PolarHBondContact O-N 2.89Å; L177-I181 HydrophobicContact CD1-CD1 4.07Å; L177-I181 HydrophobicContact CD1-CG1 4.31Å; L177-I181 HydrophobicContact CG-CD1 3.96Å; L177-I181 VanDerWaalsContact O-CG1 3.31Å; L177-I181 WeakPolarHBondContact O-CG1 3.47Å; L177-I181 PolarHBondContact O-N 3.38Å
178	V	94.1	Very high	90.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.2	-41.4	177.6	165.5	0	0	0	0	110.9	M159 M160 A163 K174 K175 E176 I181 L182	M159-V178 HydrophobicContact CB-CB 4.48Å; M159-V178 HydrophobicContact CB-CG1 3.59Å; M159-V178 HydrophobicContact CB-CG2 4.05Å; M159-V178 HydrophobicContact CE-CG2 4.47Å; M159-V178 HydrophobicContact CG-CG1 4.38Å; M160-V178 HydrophobicContact SD-CB 4.2Å; M160-V178 HydrophobicContact SD-CG1 4.43Å; M160-V178 HydrophobicContact SD-CG2 3.9Å; A163-V178 HydrophobicContact CB-CG2 4.06Å; K174-V178 VanDerWaalsContact O-CG2 3.25Å; K174-V178 WeakPolarHBondContact O-CG2 3.22Å; K174-V178 PolarHBondContact O-N 3.08Å; K175-V178 PolarHBondContact O-N 2.97Å; E176-V178 PolarHBondContact O-N 3.17Å; V178-I181 PolarHBondContact O-N 2.78Å; V178-L182 HydrophobicContact CG1-CD1 3.79Å; V178-L182 HydrophobicContact CG1-CG 4.32Å; V178-L182 WeakPolarHBondContact O-CB 3.38Å; V178-L182 VanDerWaalsContact O-CG 3.25Å; V178-L182 WeakPolarHBondContact O-CG 3.35Å; V178-L182 PolarHBondContact O-N 3.02Å
179	D	93.2	Very high	90.8	Very high	39 Å²	39	51.8 Å²	51.8	21%	0.209	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-38.3	176.1	-79.1	-43.5	0	0	0	112.5	R156 K175 E176 L177 T183	R156-D179 IonicContact CZ-OD1 3.53Å; R156-D179 IonicContact NH1-OD1 2.82Å; R156-D179 PolarHBondContact NH1-OD1 3.15Å; R156-D179 IonicContact NH1-OD2 3.31Å; R156-D179 PolarHBondContact NH1-OD2 3.2Å; R156-D179 IonicContact NH2-OD1 3.22Å; R156-D179 PolarHBondContact NH2-OD1 3.49Å; K175-D179 PolarHBondContact O-N 2.91Å; E176-D179 PolarHBondContact O-N 2.96Å; L177-D179 VanDerWaalsContact C-N 3.33Å; L177-D179 PolarHBondContact O-N 2.88Å; D179-T183 WeakPolarHBondContact O-CB 3.39Å; D179-T183 PolarHBondContact O-N 3.35Å; D179-T183 PolarHBondContact O-OG1 3.5Å
180	E	91.1	Very high	91.2	Very high	42 Å²	42	46.9 Å²	46.9	20%	0.196	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-48.7	174.3	-174.5	177	-158.2	0	0	111.1	F47 C48 H49 E176 L177 T183 A184	F47-E180 WeakPolarHBondContact CA-OE1 3.39Å; F47-E180 HydrophobicContact CD1-CG 4.26Å; C48-E180 PolarHBondContact N-OE1 3.17Å; H49-E180 IonicContact CD2-OE2 3.61Å; E176-E180 WeakPolarHBondContact O-CB 3.37Å; E176-E180 PolarHBondContact O-N 3.04Å; L177-E180 PolarHBondContact O-N 2.89Å; E180-T183 PolarHBondContact O-N 2.96Å; E180-A184 WeakPolarHBondContact O-CB 3.25Å; E180-A184 PolarHBondContact O-N 3.18Å
181	I	91.6	Very high	91.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65	-44.5	179.2	-64.8	167.6	0	0	0	111.2	F47 L50 M159 L177 V178 T183 A184 L185 A209 V213	F47-I181 HydrophobicContact CE1-CG1 4.38Å; L50-I181 HydrophobicContact CD2-CD1 4.3Å; M159-I181 HydrophobicContact CE-CB 4Å; M159-I181 HydrophobicContact CE-CD1 4.09Å; M159-I181 HydrophobicContact CE-CG2 3.67Å; L177-I181 HydrophobicContact CD1-CD1 4.07Å; L177-I181 HydrophobicContact CD1-CG1 4.31Å; L177-I181 HydrophobicContact CG-CD1 3.96Å; L177-I181 VanDerWaalsContact O-CG1 3.31Å; L177-I181 WeakPolarHBondContact O-CG1 3.47Å; L177-I181 PolarHBondContact O-N 3.38Å; V178-I181 PolarHBondContact O-N 2.78Å; I181-T183 VanDerWaalsContact C-N 3.3Å; I181-T183 PolarHBondContact O-N 3.27Å; I181-A184 PolarHBondContact O-N 3.5Å; I181-L185 HydrophobicContact CG2-CD1 3.66Å; I181-L185 HydrophobicContact CG2-CG 4.32Å; I181-L185 WeakPolarHBondContact O-CB 3.5Å; I181-L185 VanDerWaalsContact O-CG 3.26Å; I181-L185 WeakPolarHBondContact O-CG 3.25Å; I181-L185 PolarHBondContact O-N 3.34Å; I181-A209 HydrophobicContact CG2-CB 3.97Å; I181-V213 HydrophobicContact CD1-CG2 4.03Å
182	L	92.8	Very high	91.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.4	-38.3	179.4	-73.8	173.2	0	0	0	111.7	M159 V178 G186 L187 Q188 A191	M159-L182 HydrophobicContact CG-CD2 4.21Å; V178-L182 HydrophobicContact CG1-CD1 3.79Å; V178-L182 HydrophobicContact CG1-CG 4.32Å; V178-L182 WeakPolarHBondContact O-CB 3.38Å; V178-L182 VanDerWaalsContact O-CG 3.25Å; V178-L182 WeakPolarHBondContact O-CG 3.35Å; V178-L182 PolarHBondContact O-N 3.02Å; L182-G186 PolarHBondContact O-N 3.09Å; L182-L187 HydrophobicContact CD2-CB 3.8Å; L182-L187 HydrophobicContact CD2-CD1 4.3Å; L182-L187 PolarHBondContact O-N 3.24Å; L182-Q188 PolarHBondContact O-N 3.36Å; L182-A191 HydrophobicContact CD1-CB 4.05Å
183	T	91	Very high	91.8	Very high	71 Å²	71	42.7 Å²	42.7	44%	0.436	22%	0.223	S	C	.	.	H	α-helix	trans	-66.1	-48.7	174.6	-57.1	0	0	0	0	111.4	D179 E180 I181 L185 G186	D179-T183 WeakPolarHBondContact O-CB 3.39Å; D179-T183 PolarHBondContact O-N 3.35Å; D179-T183 PolarHBondContact O-OG1 3.5Å; E180-T183 PolarHBondContact O-N 2.96Å; I181-T183 VanDerWaalsContact C-N 3.3Å; I181-T183 PolarHBondContact O-N 3.27Å; T183-L185 PolarHBondContact O-N 2.92Å; T183-G186 PolarHBondContact O-N 2.85Å
184	A	86.2	Confident	92	Very high	7 Å²	7	45.2 Å²	45.2	6%	0.058	23%	0.228	C	C	.	.	H	α-helix	trans	-60.8	-30.9	-178.9	0	0	0	0	0	113.3	F47 E180 I181	F47-A184 HydrophobicContact CE1-CB 3.82Å; F47-A184 HydrophobicContact CZ-CB 4.11Å; E180-A184 WeakPolarHBondContact O-CB 3.25Å; E180-A184 PolarHBondContact O-N 3.18Å; I181-A184 PolarHBondContact O-N 3.5Å
185	L	88.6	Confident	92	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.016	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-1.7	179.3	-62.8	177.7	0	0	0	114	I181 T183 L187 R205 A209 L212 L239	I181-L185 HydrophobicContact CG2-CD1 3.66Å; I181-L185 HydrophobicContact CG2-CG 4.32Å; I181-L185 WeakPolarHBondContact O-CB 3.5Å; I181-L185 VanDerWaalsContact O-CG 3.26Å; I181-L185 WeakPolarHBondContact O-CG 3.25Å; I181-L185 PolarHBondContact O-N 3.34Å; T183-L185 PolarHBondContact O-N 2.92Å; L185-L187 VanDerWaalsContact C-N 3.31Å; L185-L187 HydrophobicContact CB-CD1 4.07Å; L185-L187 HydrophobicContact CB-CG 4.06Å; L185-L187 HydrophobicContact CD1-CD1 4.4Å; L185-L187 PolarHBondContact O-N 2.95Å; L185-R205 PolarHBondContact O-NH1 3.18Å; L185-A209 HydrophobicContact CD1-CB 3.24Å; L185-L212 HydrophobicContact CD1-CD1 4.04Å; L185-L212 HydrophobicContact CD2-CD1 4.19Å; L185-L239 HydrophobicContact CD2-CD1 3.26Å; L185-L239 HydrophobicContact CD2-CD2 3.37Å; L185-L239 HydrophobicContact CD2-CG 3.9Å
186	G	88.3	Confident	91.8	Very high	37 Å²	37	45.2 Å²	45.2	38%	0.381	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	31.7	-176.1	0	0	0	0	0	113.2	L182 T183	L182-G186 PolarHBondContact O-N 3.09Å; T183-G186 PolarHBondContact O-N 2.85Å
187	L	92.2	Very high	91.8	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.235	C	C	.	.			trans	-104	2.9	-179.5	-65	177	0	0	0	113.4	L182 L185 E189 C190 A191 Q202 R205 L206 A209	L182-L187 HydrophobicContact CD2-CB 3.8Å; L182-L187 HydrophobicContact CD2-CD1 4.3Å; L182-L187 PolarHBondContact O-N 3.24Å; L185-L187 VanDerWaalsContact C-N 3.31Å; L185-L187 HydrophobicContact CB-CD1 4.07Å; L185-L187 HydrophobicContact CB-CG 4.06Å; L185-L187 HydrophobicContact CD1-CD1 4.4Å; L185-L187 PolarHBondContact O-N 2.95Å; L187-E189 VanDerWaalsContact C-N 3.31Å; L187-E189 PolarHBondContact O-N 3.2Å; L187-C190 CarbonylContact O-C 3.51Å; L187-C190 PolarHBondContact O-N 3.03Å; L187-C190 VanDerWaalsContact O-N 3.07Å; L187-C190 PolarHBondContact O-SG 3.04Å; L187-A191 PolarHBondContact O-N 3.05Å; L187-A191 VanDerWaalsContact O-N 3.14Å; L187-Q202 HydrophobicContact CD2-CB 4.25Å; L187-Q202 HydrophobicContact CD2-CG 4.3Å; L187-R205 HydrophobicContact CD1-CB 4.01Å; L187-R205 HydrophobicContact CD2-CB 4.07Å; L187-R205 HydrophobicContact CG-CB 4.3Å; L187-L206 HydrophobicContact CD1-CB 4.16Å; L187-A209 HydrophobicContact CD1-CB 4.46Å
188	Q	91.9	Very high	91.9	Very high	83 Å²	83	45.5 Å²	45.5	39%	0.388	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-60.4	-38.3	-175	-169.8	66.1	-7.7	0	0	113.2	L182 C190 A191	L182-Q188 PolarHBondContact O-N 3.36Å; Q188-C190 VanDerWaalsContact C-N 3.27Å; Q188-C190 PolarHBondContact O-N 3.25Å; Q188-A191 VanDerWaalsContact O-CB 3.31Å; Q188-A191 WeakPolarHBondContact O-CB 3.26Å; Q188-A191 PolarHBondContact O-N 2.93Å
189	E	91.5	Very high	91.7	Very high	174 Å²	174	48.2 Å²	48.2	81%	0.813	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-64.9	-30.6	177.6	-63.6	-173.8	165.2	0	0	112.5	L187	L187-E189 VanDerWaalsContact C-N 3.31Å; L187-E189 PolarHBondContact O-N 3.2Å
190	C	92.9	Very high	91.5	Very high	9 Å²	9	48.4 Å²	48.4	6%	0.061	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-100.7	11.5	-179.9	65.9	0	0	0	0	113.6	L187 Q188 Q192 T193 L198	L187-C190 CarbonylContact O-C 3.51Å; L187-C190 PolarHBondContact O-N 3.03Å; L187-C190 VanDerWaalsContact O-N 3.07Å; L187-C190 PolarHBondContact O-SG 3.04Å; Q188-C190 VanDerWaalsContact C-N 3.27Å; Q188-C190 PolarHBondContact O-N 3.25Å; C190-Q192 PolarHBondContact O-N 3.44Å; C190-T193 WeakPolarHBondContact O-CB 3.31Å; C190-T193 PolarHBondContact O-N 2.86Å; C190-T193 PolarHBondContact O-OG1 3.18Å; C190-L198 HydrophobicContact CB-CD2 3.79Å
191	A	94.3	Very high	91.4	Very high	3 Å²	3	46.5 Å²	46.5	3%	0.025	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-32.9	-175.8	0	0	0	0	0	113.5	R156 L182 L187 Q188	R156-A191 HydrophobicContact CB-CB 4.45Å; R156-A191 WeakPolarHBondContact CB-O 3.4Å; R156-A191 PolarHBondContact N-O 3.24Å; L182-A191 HydrophobicContact CD1-CB 4.05Å; L187-A191 PolarHBondContact O-N 3.05Å; L187-A191 VanDerWaalsContact O-N 3.14Å; Q188-A191 VanDerWaalsContact O-CB 3.31Å; Q188-A191 WeakPolarHBondContact O-CB 3.26Å; Q188-A191 PolarHBondContact O-N 2.93Å
192	Q	95	Very high	91.4	Very high	128 Å²	128	49.2 Å²	49.2	60%	0.598	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-1.1	178.1	-59.6	-61.1	-14.3	0	0	113.5	T154 C190	T154-Q192 VanDerWaalsContact CG2-O 3.32Å; T154-Q192 WeakPolarHBondContact CG2-O 3.27Å; C190-Q192 PolarHBondContact O-N 3.44Å
193	T	94.6	Very high	91.4	Very high	51 Å²	51	50.2 Å²	50.2	31%	0.313	28%	0.281	S	S	.	.	S	Bend	trans	-76	140.7	177.8	-52	0	0	0	0	109.6	T154 A155 C190 L198	T154-T193 VanDerWaalsContact CA-O 3.28Å; T154-T193 WeakPolarHBondContact CA-O 3.38Å; A155-T193 PolarHBondContact N-O 3.2Å; C190-T193 WeakPolarHBondContact O-CB 3.31Å; C190-T193 PolarHBondContact O-N 2.86Å; C190-T193 PolarHBondContact O-OG1 3.18Å; T193-L198 HydrophobicContact CG2-CD2 3.96Å
194	R	94	Very high	91.5	Very high	97 Å²	97	47.1 Å²	47.1	37%	0.366	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-68.6	143	174	-67.4	178.7	-178.9	-178.7	2.9	109.8	L153 H196 S197	L153-R194 WeakPolarHBondContact O-CA 3.45Å; R194-H196 VanDerWaalsContact C-N 3.29Å; R194-H196 PolarHBondContact O-N 3.19Å; R194-S197 PolarHBondContact O-N 3.45Å
195	T	92.2	Very high	91.8	Very high	9 Å²	9	47.5 Å²	47.5	6%	0.055	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-58.3	-35.7	-176.6	48.7	0	0	0	0	113.8	L149 L150 P151 L153 S197 L198 L206	L149-T195 HydrophobicContact CB-CG2 4.49Å; L149-T195 HydrophobicContact CD1-CG2 4.31Å; L150-T195 PolarHBondContact O-OG1 3.08Å; P151-T195 WeakPolarHBondContact CA-OG1 3.22Å; P151-T195 PolarHBondContact O-OG1 3.43Å; P151-T195 VanDerWaalsContact O-OG1 3.08Å; L153-T195 WeakPolarHBondContact O-CG2 3.35Å; L153-T195 PolarHBondContact O-N 3.5Å; L153-T195 PolarHBondContact O-OG1 3.34Å; T195-S197 PolarHBondContact O-N 3.34Å; T195-L198 HydrophobicContact CG2-CD1 4.42Å; T195-L198 PolarHBondContact O-N 2.98Å; T195-L206 HydrophobicContact CG2-CD2 3.79Å
196	H	90.3	Very high	92	Very high	113 Å²	113	47.4 Å²	47.4	52%	0.523	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-67	-16.1	176.7	78.8	-81.5	0	0	0	113.9	P151 R194	P151-H196 HydrophobicContact CB-CB 3.85Å; P151-H196 PolarHBondContact O-N 3.06Å; P151-H196 PolarHBondContact O-ND1 3.38Å; P151-H196 VanDerWaalsContact O-ND1 3.07Å; R194-H196 VanDerWaalsContact C-N 3.29Å; R194-H196 PolarHBondContact O-N 3.19Å
197	S	91.8	Very high	92.3	Very high	68 Å²	68	45.9 Å²	45.9	48%	0.476	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-100.2	2.9	179.5	-41.4	0	0	0	0	112.9	R194 T195	R194-S197 PolarHBondContact O-N 3.45Å; T195-S197 PolarHBondContact O-N 3.34Å
198	L	92.1	Very high	92.3	Very high	20 Å²	20	45.8 Å²	45.8	11%	0.105	24%	0.244	C	C	.	.	S	Bend	trans	-78.7	148	178.1	-64	177.2	0	0	0	110.9	C190 T193 T195 Q202 L206	C190-L198 HydrophobicContact CB-CD2 3.79Å; T193-L198 HydrophobicContact CG2-CD2 3.96Å; T195-L198 HydrophobicContact CG2-CD1 4.42Å; T195-L198 PolarHBondContact O-N 2.98Å; L198-Q202 HydrophobicContact CB-CB 4.07Å; L198-Q202 HydrophobicContact CD2-CB 4.37Å; L198-L206 HydrophobicContact CD1-CD2 3.55Å
199	S	91.3	Very high	92.4	Very high	57 Å²	57	41.9 Å²	41.9	40%	0.399	23%	0.225	S	C	.	.			trans	-67.1	158.8	169.9	76.1	0	0	0	0	111.1	G201 Q202 C203	S199-G201 VanDerWaalsContact C-N 3.29Å; S199-G201 PolarHBondContact O-N 2.91Å; S199-Q202 VanDerWaalsContact N-OE1 3.08Å; S199-Q202 WeakPolarHBondContact O-CB 3.33Å; S199-Q202 PolarHBondContact O-N 2.66Å; S199-Q202 VanDerWaalsContact OG-CG 3.28Å; S199-Q202 WeakPolarHBondContact OG-CG 3.41Å; S199-Q202 PolarHBondContact OG-N 2.96Å; S199-C203 WeakPolarHBondContact O-CB 3.27Å; S199-C203 PolarHBondContact O-N 2.75Å
200	G	88.6	Confident	92.5	Very high	43 Å²	43	33.8 Å²	33.8	44%	0.443	19%	0.188	S	C	.	.	H	α-helix	trans	-53.3	-45	178.3	0	0	0	0	0	112.9	Q202 C203 K204 L228	G200-Q202 PolarHBondContact O-N 3.23Å; G200-C203 WeakPolarHBondContact O-CB 3.35Å; G200-C203 PolarHBondContact O-N 3.37Å; G200-K204 PolarHBondContact O-N 3.06Å; G200-L228 VanDerWaalsContact C-CD2 3.41Å
201	G	89.1	Confident	92.5	Very high	2 Å²	2	33.6 Å²	33.6	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-67.8	-32	176.8	0	0	0	0	0	114.2	S199 R205 L228	S199-G201 VanDerWaalsContact C-N 3.29Å; S199-G201 PolarHBondContact O-N 2.91Å; G201-R205 WeakPolarHBondContact O-CG 3.46Å; G201-R205 PolarHBondContact O-N 3.42Å; G201-R205 PolarHBondContact O-NE 2.7Å; G201-L228 VanDerWaalsContact N-CD2 3.35Å
202	Q	91.9	Very high	92.3	Very high	57 Å²	57	33.4 Å²	33.4	27%	0.266	19%	0.185	S	C	.	.	H	α-helix	trans	-71.4	-41.8	172.6	-73.5	169.5	-11.3	0	0	111.4	L187 L198 S199 G200 K204 R205 L206	L187-Q202 HydrophobicContact CD2-CB 4.25Å; L187-Q202 HydrophobicContact CD2-CG 4.3Å; L198-Q202 HydrophobicContact CB-CB 4.07Å; L198-Q202 HydrophobicContact CD2-CB 4.37Å; S199-Q202 VanDerWaalsContact N-OE1 3.08Å; S199-Q202 WeakPolarHBondContact O-CB 3.33Å; S199-Q202 PolarHBondContact O-N 2.66Å; S199-Q202 VanDerWaalsContact OG-CG 3.28Å; S199-Q202 WeakPolarHBondContact OG-CG 3.41Å; S199-Q202 PolarHBondContact OG-N 2.96Å; G200-Q202 PolarHBondContact O-N 3.23Å; Q202-K204 VanDerWaalsContact C-N 3.34Å; Q202-K204 PolarHBondContact O-N 2.8Å; Q202-R205 PolarHBondContact O-N 2.72Å; Q202-L206 WeakPolarHBondContact O-CB 3.33Å; Q202-L206 PolarHBondContact O-N 3.22Å
203	C	92.5	Very high	92.1	Very high	22 Å²	22	27.3 Å²	27.3	15%	0.149	16%	0.156	C	C	.	.	H	α-helix	trans	-58.6	-46.8	175.6	-166.7	0	0	0	0	110.7	L149 S199 G200 R205 L206 A207	L149-C203 VanDerWaalsContact CD1-SG 3.51Å; S199-C203 WeakPolarHBondContact O-CB 3.27Å; S199-C203 PolarHBondContact O-N 2.75Å; G200-C203 WeakPolarHBondContact O-CB 3.35Å; G200-C203 PolarHBondContact O-N 3.37Å; C203-R205 PolarHBondContact O-N 3.23Å; C203-L206 PolarHBondContact O-N 2.91Å; C203-A207 PolarHBondContact O-N 2.82Å
204	K	91.6	Very high	91.6	Very high	5 Å²	5	26.8 Å²	26.8	2%	0.022	15%	0.151	C	C	.	.	H	α-helix	trans	-61.1	-48.9	177.5	-161.2	65	173.8	-177.1	0	111.7	M144 Q145 D147 G200 Q202 L206 A207 I208 V236	M144-K204 PolarHBondContact O-NZ 3.27Å; Q145-K204 PolarHBondContact O-NZ 3.19Å; D147-K204 VanDerWaalsContact CG-CD 3.48Å; D147-K204 WeakPolarHBondContact OD1-CD 3.5Å; D147-K204 WeakPolarHBondContact OD1-CE 3.4Å; D147-K204 IonicContact OD1-NZ 2.66Å; D147-K204 PolarHBondContact OD1-NZ 2.71Å; D147-K204 WeakPolarHBondContact OD2-CA 3.42Å; D147-K204 WeakPolarHBondContact OD2-CD 3.45Å; D147-K204 PolarHBondContact OD2-N 2.99Å; D147-K204 IonicContact OD2-NZ 3.81Å; G200-K204 PolarHBondContact O-N 3.06Å; Q202-K204 VanDerWaalsContact C-N 3.34Å; Q202-K204 PolarHBondContact O-N 2.8Å; K204-L206 VanDerWaalsContact C-N 3.29Å; K204-L206 PolarHBondContact O-N 2.85Å; K204-A207 WeakPolarHBondContact O-CB 3.36Å; K204-A207 PolarHBondContact O-N 3.32Å; K204-A207 VanDerWaalsContact O-N 3.14Å; K204-I208 VanDerWaalsContact O-CG1 3.3Å; K204-I208 WeakPolarHBondContact O-CG1 3.45Å; K204-I208 PolarHBondContact O-N 3.19Å; K204-V236 HydrophobicContact CB-CG2 4.45Å; K204-V236 HydrophobicContact CG-CG1 4.37Å; K204-V236 HydrophobicContact CG-CG2 4.42Å
205	R	92.4	Very high	91.3	Very high	16 Å²	16	23.2 Å²	23.2	6%	0.06	14%	0.139	C	C	.	.	H	α-helix	trans	-59.9	-38.3	176.3	-75.5	-174.5	-73.8	-175.2	-11.8	112.5	L185 L187 G201 Q202 C203 I208 A209 V236 L239	L185-R205 PolarHBondContact O-NH1 3.18Å; L187-R205 HydrophobicContact CD1-CB 4.01Å; L187-R205 HydrophobicContact CD2-CB 4.07Å; L187-R205 HydrophobicContact CG-CB 4.3Å; G201-R205 WeakPolarHBondContact O-CG 3.46Å; G201-R205 PolarHBondContact O-N 3.42Å; G201-R205 PolarHBondContact O-NE 2.7Å; Q202-R205 PolarHBondContact O-N 2.72Å; C203-R205 PolarHBondContact O-N 3.23Å; R205-I208 PolarHBondContact O-N 2.96Å; R205-A209 WeakPolarHBondContact O-CB 3.43Å; R205-A209 PolarHBondContact O-N 3.45Å; R205-V236 HydrophobicContact CG-CG2 4.29Å; R205-L239 HydrophobicContact CG-CD2 4.14Å
206	L	94.6	Very high	91.2	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-66.4	-40.2	175.1	-179.3	61.4	0	0	0	111.6	L149 A155 M159 L187 T195 L198 Q202 C203 K204 I208 A209 L210	L149-L206 HydrophobicContact CD1-CB 4.45Å; L149-L206 HydrophobicContact CD1-CD2 3.85Å; L149-L206 HydrophobicContact CD1-CG 4.19Å; A155-L206 HydrophobicContact CB-CD1 4.04Å; A155-L206 HydrophobicContact CB-CD2 3.85Å; M159-L206 HydrophobicContact CG-CD1 3.97Å; M159-L206 HydrophobicContact SD-CD1 4.28Å; L187-L206 HydrophobicContact CD1-CB 4.16Å; T195-L206 HydrophobicContact CG2-CD2 3.79Å; L198-L206 HydrophobicContact CD1-CD2 3.55Å; Q202-L206 WeakPolarHBondContact O-CB 3.33Å; Q202-L206 PolarHBondContact O-N 3.22Å; C203-L206 PolarHBondContact O-N 2.91Å; K204-L206 VanDerWaalsContact C-N 3.29Å; K204-L206 PolarHBondContact O-N 2.85Å; L206-I208 VanDerWaalsContact C-N 3.28Å; L206-I208 PolarHBondContact O-N 3.22Å; L206-A209 HydrophobicContact CD1-CB 4.37Å; L206-A209 VanDerWaalsContact O-CB 3.28Å; L206-A209 WeakPolarHBondContact O-CB 3.3Å; L206-A209 PolarHBondContact O-N 2.93Å; L206-A209 VanDerWaalsContact O-N 3.13Å; L206-L210 HydrophobicContact CD1-CG 4.47Å; L206-L210 VanDerWaalsContact O-CG 3.28Å; L206-L210 WeakPolarHBondContact O-CG 3.5Å; L206-L210 PolarHBondContact O-N 3.39Å
207	A	93.6	Very high	91.2	Very high	4 Å²	4	17.9 Å²	17.9	3%	0.033	12%	0.115	C	C	.	.	H	α-helix	trans	-59.3	-40.5	174.2	0	0	0	0	0	111.8	C203 K204	C203-A207 PolarHBondContact O-N 2.82Å; K204-A207 WeakPolarHBondContact O-CB 3.36Å; K204-A207 PolarHBondContact O-N 3.32Å; K204-A207 VanDerWaalsContact O-N 3.14Å
208	I	93.2	Very high	91.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.7	-45.8	172.8	-55.3	171.6	0	0	0	110.5	I143 K204 R205 L206 L210 E211 L212 M219 F221 V236 L239 L243	I143-I208 HydrophobicContact CD1-CB 4.42Å; I143-I208 HydrophobicContact CD1-CG1 4.05Å; I143-I208 HydrophobicContact CD1-CG2 4.43Å; K204-I208 VanDerWaalsContact O-CG1 3.3Å; K204-I208 WeakPolarHBondContact O-CG1 3.45Å; K204-I208 PolarHBondContact O-N 3.19Å; R205-I208 PolarHBondContact O-N 2.96Å; L206-I208 VanDerWaalsContact C-N 3.28Å; L206-I208 PolarHBondContact O-N 3.22Å; I208-L210 VanDerWaalsContact C-N 3.31Å; I208-L210 PolarHBondContact O-N 3.35Å; I208-E211 PolarHBondContact O-N 3.37Å; I208-E211 VanDerWaalsContact O-N 3.12Å; I208-L212 HydrophobicContact CG2-CD1 3.7Å; I208-L212 HydrophobicContact CG2-CG 4.14Å; I208-L212 WeakPolarHBondContact O-CG 3.38Å; I208-L212 PolarHBondContact O-N 3.31Å; I208-M219 HydrophobicContact CG2-CE 4.32Å; I208-F221 HydrophobicContact CD1-CE1 3.78Å; I208-F221 HydrophobicContact CG1-CE1 3.76Å; I208-F221 HydrophobicContact CG2-CE1 4.35Å; I208-F221 HydrophobicContact CG2-CZ 4.35Å; I208-V236 HydrophobicContact CD1-CG1 4.22Å; I208-L239 HydrophobicContact CD1-CD2 4.02Å; I208-L243 HydrophobicContact CG2-CD1 4.08Å
209	A	93.3	Very high	91.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-54.5	-45.9	178.9	0	0	0	0	0	112.3	M159 I181 L185 L187 R205 L206 E211 L212 V213	M159-A209 HydrophobicContact CE-CB 3.94Å; M159-A209 VanDerWaalsContact SD-C 3.5Å; M159-A209 HydrophobicContact SD-CB 3.54Å; M159-A209 VanDerWaalsContact SD-CB 3.54Å; I181-A209 HydrophobicContact CG2-CB 3.97Å; L185-A209 HydrophobicContact CD1-CB 3.24Å; L187-A209 HydrophobicContact CD1-CB 4.46Å; R205-A209 WeakPolarHBondContact O-CB 3.43Å; R205-A209 PolarHBondContact O-N 3.45Å; L206-A209 HydrophobicContact CD1-CB 4.37Å; L206-A209 VanDerWaalsContact O-CB 3.28Å; L206-A209 WeakPolarHBondContact O-CB 3.3Å; L206-A209 PolarHBondContact O-N 2.93Å; L206-A209 VanDerWaalsContact O-N 3.13Å; A209-E211 PolarHBondContact O-N 3.42Å; A209-L212 PolarHBondContact O-N 3.22Å; A209-V213 PolarHBondContact O-N 2.73Å
210	L	93.8	Very high	91.6	Very high	4 Å²	4	11 Å²	11	2%	0.021	7%	0.068	C	C	.	.	H	α-helix	trans	-61.5	-31.3	-178.8	-70.1	170.4	0	0	0	112.6	L149 A158 M159 S162 K166 L206 I208 W457	L149-L210 HydrophobicContact CD2-CD1 3.45Å; L149-L210 VanDerWaalsContact CD2-CD1 3.45Å; A158-L210 VanDerWaalsContact C-CD2 3.43Å; A158-L210 HydrophobicContact CB-CD2 4Å; A158-L210 VanDerWaalsContact O-CD2 3.31Å; A158-L210 WeakPolarHBondContact O-CD2 3.31Å; M159-L210 HydrophobicContact CG-CD2 4.2Å; M159-L210 HydrophobicContact SD-CD2 3.71Å; M159-L210 HydrophobicContact SD-CG 4.09Å; S162-L210 PolarHBondContact OG-O 3.48Å; K166-L210 PolarHBondContact NZ-O 2.93Å; L206-L210 HydrophobicContact CD1-CG 4.47Å; L206-L210 VanDerWaalsContact O-CG 3.28Å; L206-L210 WeakPolarHBondContact O-CG 3.5Å; L206-L210 PolarHBondContact O-N 3.39Å; I208-L210 VanDerWaalsContact C-N 3.31Å; I208-L210 PolarHBondContact O-N 3.35Å; L210-W457 HydrophobicContact CB-CH2 3.89Å; L210-W457 HydrophobicContact CB-CZ2 3.93Å; L210-W457 HydrophobicContact CD1-CH2 4.34Å; L210-W457 HydrophobicContact CD2-CH2 4.11Å; L210-W457 HydrophobicContact CG-CH2 4.34Å
211	E	91.8	Very high	91.9	Very high	5 Å²	5	8.9 Å²	8.9	2%	0.023	5%	0.047	C	C	.	.	H	α-helix	trans	-86	-31.2	177.1	-60.4	-56.1	159.9	0	0	113	C141 I143 K166 I208 A209 V213 N214 P216 R451 N455 W457	C141-E211 HydrophobicContact CB-CB 4.14Å; C141-E211 HydrophobicContact CB-CG 4.42Å; I143-E211 HydrophobicContact CG1-CG 4.29Å; K166-E211 IonicContact NZ-OE1 2.7Å; K166-E211 IonicContact NZ-OE2 3.13Å; K166-E211 PolarHBondContact NZ-OE2 2.99Å; I208-E211 PolarHBondContact O-N 3.37Å; I208-E211 VanDerWaalsContact O-N 3.12Å; A209-E211 PolarHBondContact O-N 3.42Å; E211-V213 PolarHBondContact O-N 3.04Å; E211-N214 PolarHBondContact O-N 3.36Å; E211-P216 WeakPolarHBondContact O-CD 3.38Å; E211-R451 IonicContact OE1-NH1 2.87Å; E211-N455 PolarHBondContact OE1-ND2 2.99Å; E211-W457 WeakPolarHBondContact OE1-CZ2 3.47Å; E211-W457 PolarHBondContact OE1-NE1 3.02Å; E211-W457 PolarHBondContact OE2-NE1 3.03Å
212	L	90.8	Very high	92.1	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-61.6	-22.8	177.5	-80.1	164.5	0	0	0	114.3	L50 L185 I208 A209 N214 N215 M219 L243	L50-L212 WeakPolarHBondContact CD2-O 3.19Å; L185-L212 HydrophobicContact CD1-CD1 4.04Å; L185-L212 HydrophobicContact CD2-CD1 4.19Å; I208-L212 HydrophobicContact CG2-CD1 3.7Å; I208-L212 HydrophobicContact CG2-CG 4.14Å; I208-L212 WeakPolarHBondContact O-CG 3.38Å; I208-L212 PolarHBondContact O-N 3.31Å; A209-L212 PolarHBondContact O-N 3.22Å; L212-N214 PolarHBondContact O-N 2.87Å; L212-N214 VanDerWaalsContact O-N 3.15Å; L212-N215 WeakPolarHBondContact O-CA 3.44Å; L212-N215 PolarHBondContact O-N 3.09Å; L212-M219 HydrophobicContact CD2-CE 4.16Å; L212-M219 HydrophobicContact CD2-SD 4.23Å; L212-M219 HydrophobicContact CG-CE 4.25Å; L212-L243 HydrophobicContact CD1-CD1 4.17Å; L212-L243 HydrophobicContact CD1-CD2 4.25Å; L212-L243 HydrophobicContact CD2-CD1 4.13Å; L212-L243 HydrophobicContact CD2-CD2 3.7Å
213	V	90.3	Very high	92	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-35.3	179.5	175.3	0	0	0	0	113.4	M159 A163 L167 I181 A209 E211 N215	M159-V213 HydrophobicContact CE-CG2 3.73Å; M159-V213 HydrophobicContact SD-CG2 4.41Å; A163-V213 HydrophobicContact CB-CG1 4.06Å; L167-V213 HydrophobicContact CD1-CG1 3.68Å; L167-V213 HydrophobicContact CG-CG1 3.97Å; I181-V213 HydrophobicContact CD1-CG2 4.03Å; A209-V213 PolarHBondContact O-N 2.73Å; E211-V213 PolarHBondContact O-N 3.04Å; V213-N215 VanDerWaalsContact C-N 3.33Å
214	N	85.1	Confident	92	Very high	40 Å²	40	7.5 Å²	7.5	21%	0.214	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	2.5	178.1	-175.1	33.9	0	0	0	113.4	R53 K138 K166 E211 L212	R53-N214 PolarHBondContact NH2-OD1 3.07Å; K138-N214 PolarHBondContact O-ND2 3.47Å; K166-N214 HydrophobicContact CD-CB 4.15Å; E211-N214 PolarHBondContact O-N 3.36Å; L212-N214 PolarHBondContact O-N 2.87Å; L212-N214 VanDerWaalsContact O-N 3.15Å
215	N	87.6	Confident	91.9	Very high	21 Å²	21	8.5 Å²	8.5	11%	0.112	5%	0.045	C	C	.	.			trans	44.9	57.2	-172.3	-162.1	21.7	0	0	0	114.4	L50 P51 R53 L212 V213 P217 R248	L50-N215 HydrophobicContact CB-CB 4.06Å; L50-N215 HydrophobicContact CD1-CB 4.13Å; L50-N215 HydrophobicContact CD2-CB 4.06Å; L50-N215 HydrophobicContact CG-CB 4.32Å; P51-N215 HydrophobicContact CG-CB 3.93Å; P51-N215 WeakPolarHBondContact O-CB 3.39Å; P51-N215 PolarHBondContact O-ND2 3.02Å; R53-N215 WeakPolarHBondContact CG-O 3.49Å; L212-N215 WeakPolarHBondContact O-CA 3.44Å; L212-N215 PolarHBondContact O-N 3.09Å; V213-N215 VanDerWaalsContact C-N 3.33Å; N215-P217 WeakPolarHBondContact O-CD 3.41Å; N215-R248 PolarHBondContact OD1-NE 2.88Å; N215-R248 PolarHBondContact OD1-NH2 3.25Å
216	P	90.1	Very high	91.7	Very high	3 Å²	3	10.7 Å²	10.7	2%	0.019	6%	0.063	C	C	.	.			trans	-63.7	128.9	-178.5	26.5	-33.2	0	0	0	111.1	C141 E211 V218 M219	C141-P216 HydrophobicContact CB-CB 4.28Å; C141-P216 HydrophobicContact CB-CG 4.06Å; C141-P216 VanDerWaalsContact SG-CG 3.57Å; E211-P216 WeakPolarHBondContact O-CD 3.38Å; P216-V218 VanDerWaalsContact C-N 3.29Å; P216-V218 PolarHBondContact O-N 3.37Å; P216-M219 HydrophobicContact CG-CE 4.28Å; P216-M219 HydrophobicContact CG-CG 4.1Å; P216-M219 HydrophobicContact CG-SD 4.44Å
217	P	90.1	Very high	91.1	Very high	7 Å²	7	14.6 Å²	14.6	5%	0.045	10%	0.103	C	C	.	.	S	Bend	trans	-70	-23.2	176.2	26.3	-37	0	0	0	113.7	R53 V56 M139 N215 R248 T249	R53-P217 HydrophobicContact CB-CB 4.35Å; R53-P217 HydrophobicContact CB-CG 4.3Å; V56-P217 HydrophobicContact CB-CB 4.29Å; V56-P217 HydrophobicContact CG2-CB 3.8Å; V56-P217 HydrophobicContact CG2-CG 3.72Å; M139-P217 HydrophobicContact CB-CG 3.93Å; M139-P217 WeakPolarHBondContact O-CD 3.48Å; M139-P217 VanDerWaalsContact O-CG 3.32Å; M139-P217 WeakPolarHBondContact O-CG 3.49Å; N215-P217 WeakPolarHBondContact O-CD 3.41Å; P217-R248 WeakPolarHBondContact O-CA 3.4Å; P217-T249 PolarHBondContact O-N 2.95Å
218	V	93.4	Very high	90.9	Very high	0 Å²	0	16 Å²	16	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.2	176.7	-176.8	0	0	0	0	109.9	V56 L58 F136 M139 S140 C141 P216 F220 T249 M251	V56-V218 HydrophobicContact CB-CG2 3.69Å; V56-V218 HydrophobicContact CG1-CG2 3.56Å; V56-V218 HydrophobicContact CG2-CG2 4.46Å; L58-V218 HydrophobicContact CD1-CB 4.49Å; L58-V218 HydrophobicContact CD1-CG1 3.61Å; L58-V218 HydrophobicContact CD1-CG2 4.05Å; F136-V218 HydrophobicContact CE2-CG2 4.33Å; F136-V218 HydrophobicContact CZ-CG1 4.36Å; M139-V218 PolarHBondContact O-N 3.43Å; S140-V218 VanDerWaalsContact CA-O 3.27Å; S140-V218 WeakPolarHBondContact CA-O 3.16Å; C141-V218 PolarHBondContact N-O 3Å; P216-V218 VanDerWaalsContact C-N 3.29Å; P216-V218 PolarHBondContact O-N 3.37Å; V218-F220 HydrophobicContact CG1-CD2 4.27Å; V218-F220 HydrophobicContact CG1-CE1 4.49Å; V218-F220 HydrophobicContact CG1-CE2 3.62Å; V218-F220 HydrophobicContact CG1-CZ 3.76Å; V218-T249 WeakPolarHBondContact CA-O 3.48Å; V218-M251 HydrophobicContact CG1-CE 4.46Å
219	M	94.5	Very high	90.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	126.9	178.5	-53	-174	78.8	0	0	110.9	C141 I143 I208 L212 P216 F221 T249 I250 M251	C141-M219 VanDerWaalsContact SG-CE 3.53Å; I143-M219 HydrophobicContact CD1-CE 4.13Å; I208-M219 HydrophobicContact CG2-CE 4.32Å; L212-M219 HydrophobicContact CD2-CE 4.16Å; L212-M219 HydrophobicContact CD2-SD 4.23Å; L212-M219 HydrophobicContact CG-CE 4.25Å; P216-M219 HydrophobicContact CG-CE 4.28Å; P216-M219 HydrophobicContact CG-CG 4.1Å; P216-M219 HydrophobicContact CG-SD 4.44Å; M219-F221 HydrophobicContact CB-CD2 4.2Å; M219-F221 HydrophobicContact CB-CE2 3.5Å; M219-F221 VanDerWaalsContact CB-CE2 3.5Å; M219-F221 HydrophobicContact CB-CZ 4.29Å; M219-F221 HydrophobicContact CE-CE2 4.49Å; M219-F221 HydrophobicContact CE-CZ 4.11Å; M219-F221 HydrophobicContact SD-CE2 4.43Å; M219-F221 HydrophobicContact SD-CZ 4.42Å; M219-T249 PolarHBondContact N-O 3.1Å; M219-I250 HydrophobicContact CB-CG1 4.32Å; M219-M251 PolarHBondContact O-N 2.93Å
220	F	95.3	Very high	90.3	Very high	0 Å²	0	25 Å²	25	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	132.1	174.7	-59.5	-83.7	0	0	0	109.8	L58 M109 L112 A113 F136 C141 Y142 I143 V218 M251	L58-F220 HydrophobicContact CD1-CZ 4.23Å; M109-F220 HydrophobicContact CG-CB 4.05Å; M109-F220 HydrophobicContact CG-CD1 3.77Å; M109-F220 HydrophobicContact CG-CG 4.27Å; M109-F220 HydrophobicContact SD-CB 4.03Å; L112-F220 HydrophobicContact CB-CE1 3.72Å; L112-F220 HydrophobicContact CB-CZ 4.07Å; A113-F220 HydrophobicContact CB-CD2 3.79Å; A113-F220 HydrophobicContact CB-CE2 3.83Å; A113-F220 HydrophobicContact CB-CG 4.19Å; A113-F220 HydrophobicContact CB-CZ 4.24Å; F136-F220 HydrophobicContact CE1-CE2 4.17Å; F136-F220 HydrophobicContact CE1-CZ 4.33Å; F136-F220 HydrophobicContact CZ-CE2 4.08Å; F136-F220 HydrophobicContact CZ-CZ 4.04Å; C141-F220 PolarHBondContact O-N 3.2Å; Y142-F220 HydrophobicContact CD2-CB 3.64Å; Y142-F220 HydrophobicContact CD2-CG 4.26Å; Y142-F220 HydrophobicContact CE2-CB 4.16Å; Y142-F220 HydrophobicContact CG-CB 4.26Å; I143-F220 PolarHBondContact N-O 3.03Å; V218-F220 HydrophobicContact CG1-CD2 4.27Å; V218-F220 HydrophobicContact CG1-CE1 4.49Å; V218-F220 HydrophobicContact CG1-CE2 3.62Å; V218-F220 HydrophobicContact CG1-CZ 3.76Å; F220-M251 CarbonylContact C-O 3.44Å; F220-M251 WeakPolarHBondContact CA-O 3.28Å; F220-M251 HydrophobicContact CD1-CB 4.1Å; F220-M251 HydrophobicContact CD1-SD 3.91Å; F220-M251 HydrophobicContact CE1-CE 4.2Å; F220-M251 HydrophobicContact CE1-CG 4.49Å; F220-M251 HydrophobicContact CE1-SD 3.4Å; F220-M251 WeakPolarHBondContact CE1-SD 3.28Å; F220-M251 HydrophobicContact CZ-SD 4.32Å
221	F	94.9	Very high	90	Very high	0 Å²	0	28 Å²	28	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	110.6	-179.5	-67.4	-104.1	0	0	0	110.2	M109 I143 I208 M219 P224 M240 I250 M251 C252 T253	M109-F221 VanDerWaalsContact CE-O 3.24Å; M109-F221 WeakPolarHBondContact CE-O 3.48Å; I143-F221 HydrophobicContact CB-CD1 4.15Å; I143-F221 HydrophobicContact CD1-CD1 3.72Å; I143-F221 HydrophobicContact CD1-CE1 3.32Å; I143-F221 HydrophobicContact CD1-CE2 4.32Å; I143-F221 HydrophobicContact CD1-CG 4.39Å; I143-F221 HydrophobicContact CD1-CZ 3.65Å; I143-F221 HydrophobicContact CG2-CD1 4.29Å; I208-F221 HydrophobicContact CD1-CE1 3.78Å; I208-F221 HydrophobicContact CG1-CE1 3.76Å; I208-F221 HydrophobicContact CG2-CE1 4.35Å; I208-F221 HydrophobicContact CG2-CZ 4.35Å; M219-F221 HydrophobicContact CB-CD2 4.2Å; M219-F221 HydrophobicContact CB-CE2 3.5Å; M219-F221 VanDerWaalsContact CB-CE2 3.5Å; M219-F221 HydrophobicContact CB-CZ 4.29Å; M219-F221 HydrophobicContact CE-CE2 4.49Å; M219-F221 HydrophobicContact CE-CZ 4.11Å; M219-F221 HydrophobicContact SD-CE2 4.43Å; M219-F221 HydrophobicContact SD-CZ 4.42Å; F221-P224 HydrophobicContact CB-CB 4.15Å; F221-P224 HydrophobicContact CB-CG 3.93Å; F221-P224 HydrophobicContact CD1-CB 4.2Å; F221-M240 HydrophobicContact CB-CE 4.02Å; F221-M240 HydrophobicContact CD1-CE 3.99Å; F221-M240 HydrophobicContact CD1-SD 4Å; F221-M240 HydrophobicContact CD2-CE 3.69Å; F221-M240 HydrophobicContact CE1-CE 4.28Å; F221-M240 HydrophobicContact CE1-CG 4Å; F221-M240 HydrophobicContact CE1-SD 4.04Å; F221-M240 HydrophobicContact CE2-CE 4.05Å; F221-M240 HydrophobicContact CE2-CG 4.44Å; F221-M240 HydrophobicContact CG-CE 3.66Å; F221-M240 HydrophobicContact CG-SD 4.29Å; F221-M240 HydrophobicContact CZ-CE 4.34Å; F221-M240 HydrophobicContact CZ-CG 3.98Å; F221-M240 HydrophobicContact CZ-SD 4.43Å; F221-I250 HydrophobicContact CD2-CG2 3.72Å; F221-I250 HydrophobicContact CE2-CG2 3.54Å; F221-M251 PolarHBondContact N-O 3.4Å; F221-C252 HydrophobicContact CB-CB 3.76Å; F221-C252 CarbonylContact O-C 3.57Å; F221-C252 WeakPolarHBondContact O-CA 3.44Å; F221-T253 PolarHBondContact O-N 3.44Å
222	D	92.6	Very high	89.9	Confident	17 Å²	17	28.3 Å²	28.3	9%	0.091	19%	0.191	C	C	.	.	S	Bend	trans	-86.9	114.9	176.1	-148.6	-1.5	0	0	0	109.8	S106 M109 Y142 I143 Q145 T253	S106-D222 PolarHBondContact OG-OD1 3.5Å; M109-D222 HydrophobicContact SD-CB 4.25Å; Y142-D222 HydrophobicContact CE1-CB 3.97Å; Y142-D222 PolarHBondContact OH-OD2 3.47Å; I143-D222 PolarHBondContact O-N 2.86Å; Q145-D222 VanDerWaalsContact CA-O 3.31Å; Q145-D222 WeakPolarHBondContact CA-O 3.25Å; D222-T253 VanDerWaalsContact CA-OG1 3.3Å; D222-T253 WeakPolarHBondContact CA-OG1 3.4Å; D222-T253 PolarHBondContact OD1-OG1 2.93Å
223	E	91.1	Very high	89.8	Confident	35 Å²	35	28.7 Å²	28.7	16%	0.164	19%	0.193	C	C	.	.	S	Bend	trans	43.4	56.8	178.6	-60.7	-166.5	174.1	0	0	114.4	Q145 T225 S226 T253	Q145-E223 HydrophobicContact CG-CB 4.26Å; Q145-E223 PolarHBondContact NE2-OE2 2.94Å; E223-T225 PolarHBondContact O-N 3.38Å; E223-S226 WeakPolarHBondContact O-CB 3.29Å; E223-S226 PolarHBondContact O-N 3.01Å; E223-S226 VanDerWaalsContact O-N 3.11Å; E223-T253 VanDerWaalsContact CA-O 3.28Å; E223-T253 WeakPolarHBondContact CA-O 3.24Å; E223-T253 PolarHBondContact N-O 2.85Å; E223-T253 PolarHBondContact N-OG1 3.5Å
224	P	91.3	Very high	89.9	Confident	0 Å²	0	32 Å²	32	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-13	-172.3	29.3	-35.6	0	0	0	114.1	F221 L228 M240 C252 T253	F221-P224 HydrophobicContact CB-CB 4.15Å; F221-P224 HydrophobicContact CB-CG 3.93Å; F221-P224 HydrophobicContact CD1-CB 4.2Å; P224-L228 WeakPolarHBondContact O-CD1 3.31Å; P224-M240 HydrophobicContact CB-SD 4.27Å; P224-M240 HydrophobicContact CG-CE 4.22Å; P224-M240 HydrophobicContact CG-SD 4.1Å; P224-C252 HydrophobicContact CG-CB 4.04Å; P224-T253 WeakPolarHBondContact CD-O 3.42Å
225	T	90.2	Very high	90	Very high	25 Å²	25	32 Å²	32	15%	0.153	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-5.5	-178.9	59.6	0	0	0	0	113.1	E223 C233 V237	E223-T225 PolarHBondContact O-N 3.38Å; T225-C233 WeakPolarHBondContact CB-SG 3.42Å; T225-C233 WeakPolarHBondContact CG2-SG 3.47Å; T225-V237 HydrophobicContact CG2-CG2 3.91Å
226	S	87.8	Confident	90.2	Very high	63 Å²	63	31 Å²	31	44%	0.441	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	136.6	-177.1	-163.5	0	0	0	0	111.4	E223 L228	E223-S226 WeakPolarHBondContact O-CB 3.29Å; E223-S226 PolarHBondContact O-N 3.01Å; E223-S226 VanDerWaalsContact O-N 3.11Å; S226-L228 PolarHBondContact O-N 3.09Å
227	G	83.5	Confident	90.3	Very high	82 Å²	82	31 Å²	31	85%	0.845	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.6	11.6	178.6	0	0	0	0	0	115.6
228	L	87.9	Confident	90.4	Very high	34 Å²	34	32 Å²	32	18%	0.178	21%	0.208	C	C	.	.			trans	-105.8	149.3	177.8	-63.2	-178.8	0	0	0	112	G200 G201 P224 S226 C233 V236	G200-L228 VanDerWaalsContact C-CD2 3.41Å; G201-L228 VanDerWaalsContact N-CD2 3.35Å; P224-L228 WeakPolarHBondContact O-CD1 3.31Å; S226-L228 PolarHBondContact O-N 3.09Å; L228-C233 HydrophobicContact CB-CB 4.39Å; L228-V236 HydrophobicContact CD1-CG2 4.02Å
229	D	88.5	Confident	90.2	Very high	81 Å²	81	32.2 Å²	32.2	43%	0.433	21%	0.209	S	C	.	.			trans	-70	160.1	166.6	68.2	-77.2	0	0	0	111.1	S231 S232 C233	D229-S231 PolarHBondContact O-N 3.44Å; D229-S231 VanDerWaalsContact O-N 3.17Å; D229-S231 WeakPolarHBondContact OD2-CB 3.45Å; D229-S231 PolarHBondContact OD2-N 2.89Å; D229-S231 VanDerWaalsContact OD2-N 3.12Å; D229-S231 PolarHBondContact OD2-OG 3.37Å; D229-S232 PolarHBondContact O-N 3.12Å; D229-S232 WeakPolarHBondContact OD1-CB 3.38Å; D229-S232 PolarHBondContact OD1-OG 3.09Å; D229-S232 PolarHBondContact OD2-N 3.37Å; D229-C233 VanDerWaalsContact O-CB 3.28Å; D229-C233 WeakPolarHBondContact O-CB 3.17Å; D229-C233 PolarHBondContact O-N 3.08Å
230	S	86.6	Confident	90.1	Very high	108 Å²	108	32.2 Å²	32.2	76%	0.755	21%	0.209	S	C	*	.	H	α-helix	trans	-58.4	-32.4	-175.2	58.4	0	0	0	0	113.6	F234	S230-F234 PolarHBondContact O-N 2.87Å
231	S	87.3	Confident	90	Very high	67 Å²	67	34 Å²	34	47%	0.469	22%	0.217	S	C	.	.	H	α-helix	trans	-75.7	-45.8	180	82	0	0	0	0	111.7	D229 C233 F234 Q235	D229-S231 PolarHBondContact O-N 3.44Å; D229-S231 VanDerWaalsContact O-N 3.17Å; D229-S231 WeakPolarHBondContact OD2-CB 3.45Å; D229-S231 PolarHBondContact OD2-N 2.89Å; D229-S231 VanDerWaalsContact OD2-N 3.12Å; D229-S231 PolarHBondContact OD2-OG 3.37Å; S231-C233 VanDerWaalsContact C-N 3.32Å; S231-C233 PolarHBondContact O-N 2.78Å; S231-F234 PolarHBondContact O-N 3.24Å; S231-Q235 WeakPolarHBondContact O-CG 3.29Å; S231-Q235 PolarHBondContact O-N 3.45Å; S231-Q235 VanDerWaalsContact O-N 3.11Å
232	S	88.7	Confident	89.7	Confident	12 Å²	12	35.2 Å²	35.2	8%	0.084	23%	0.226	C	C	.	.	H	α-helix	trans	-62.9	-39.6	174.5	-65.4	0	0	0	0	111.8	D229 F234 Q235 V236	D229-S232 PolarHBondContact O-N 3.12Å; D229-S232 WeakPolarHBondContact OD1-CB 3.38Å; D229-S232 PolarHBondContact OD1-OG 3.09Å; D229-S232 PolarHBondContact OD2-N 3.37Å; S232-F234 PolarHBondContact O-N 3.01Å; S232-Q235 WeakPolarHBondContact O-CB 3.41Å; S232-Q235 PolarHBondContact O-N 3.16Å; S232-V236 WeakPolarHBondContact O-CG2 3.27Å; S232-V236 PolarHBondContact O-N 3.34Å
233	C	90.1	Very high	89.5	Confident	8 Å²	8	34.5 Å²	34.5	5%	0.054	22%	0.222	C	C	.	.	H	α-helix	trans	-58.8	-47.5	176.4	-176.3	0	0	0	0	111.7	T225 L228 D229 S231 Q235 V236 V237 L261	T225-C233 WeakPolarHBondContact CB-SG 3.42Å; T225-C233 WeakPolarHBondContact CG2-SG 3.47Å; L228-C233 HydrophobicContact CB-CB 4.39Å; D229-C233 VanDerWaalsContact O-CB 3.28Å; D229-C233 WeakPolarHBondContact O-CB 3.17Å; D229-C233 PolarHBondContact O-N 3.08Å; S231-C233 VanDerWaalsContact C-N 3.32Å; S231-C233 PolarHBondContact O-N 2.78Å; C233-Q235 VanDerWaalsContact C-N 3.32Å; C233-Q235 PolarHBondContact O-N 2.98Å; C233-V236 PolarHBondContact O-N 2.95Å; C233-V237 WeakPolarHBondContact O-CG2 3.45Å; C233-V237 PolarHBondContact O-N 3.02Å; C233-L261 HydrophobicContact CB-CD1 4.48Å; C233-L261 WeakPolarHBondContact SG-CD1 3.15Å
234	F	90.6	Very high	89.5	Confident	70 Å²	70	32.9 Å²	32.9	31%	0.307	21%	0.214	S	C	.	.	H	α-helix	trans	-59.7	-41.8	175.2	-177.7	-97.1	0	0	0	112.3	S230 S231 S232 S238 K260 L261 M264	S230-F234 PolarHBondContact O-N 2.87Å; S231-F234 PolarHBondContact O-N 3.24Å; S232-F234 PolarHBondContact O-N 3.01Å; F234-S238 WeakPolarHBondContact O-CB 3.34Å; F234-S238 PolarHBondContact O-N 3.08Å; F234-K260 HydrophobicContact CD2-CD 4.14Å; F234-K260 HydrophobicContact CD2-CG 4.36Å; F234-K260 HydrophobicContact CE2-CD 4.09Å; F234-K260 VanDerWaalsContact CE2-CE 3.41Å; F234-K260 HydrophobicContact CE2-CG 4.19Å; F234-L261 HydrophobicContact CB-CD2 4.22Å; F234-L261 HydrophobicContact CD2-CD2 4.16Å; F234-M264 HydrophobicContact CD2-CE 3.56Å; F234-M264 HydrophobicContact CD2-SD 4.18Å; F234-M264 HydrophobicContact CE2-CE 3.67Å; F234-M264 HydrophobicContact CE2-SD 3.68Å; F234-M264 HydrophobicContact CZ-SD 4.35Å
235	Q	88.9	Confident	89.3	Confident	39 Å²	39	38.8 Å²	38.8	18%	0.182	24%	0.242	C	C	.	.	H	α-helix	trans	-62.6	-42.3	177.1	-69.8	174.2	6.5	0	0	112.5	S231 S232 C233 L239	S231-Q235 WeakPolarHBondContact O-CG 3.29Å; S231-Q235 PolarHBondContact O-N 3.45Å; S231-Q235 VanDerWaalsContact O-N 3.11Å; S232-Q235 WeakPolarHBondContact O-CB 3.41Å; S232-Q235 PolarHBondContact O-N 3.16Å; C233-Q235 VanDerWaalsContact C-N 3.32Å; C233-Q235 PolarHBondContact O-N 2.98Å; Q235-L239 WeakPolarHBondContact O-CB 3.43Å; Q235-L239 PolarHBondContact O-N 2.97Å
236	V	91.2	Very high	89	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.006	26%	0.263	C	S	.	.	H	α-helix	trans	-67.6	-45.2	179.4	172.1	0	0	0	0	111.2	K204 R205 I208 L228 S232 C233 L239 M240	K204-V236 HydrophobicContact CB-CG2 4.45Å; K204-V236 HydrophobicContact CG-CG1 4.37Å; K204-V236 HydrophobicContact CG-CG2 4.42Å; R205-V236 HydrophobicContact CG-CG2 4.29Å; I208-V236 HydrophobicContact CD1-CG1 4.22Å; L228-V236 HydrophobicContact CD1-CG2 4.02Å; S232-V236 WeakPolarHBondContact O-CG2 3.27Å; S232-V236 PolarHBondContact O-N 3.34Å; C233-V236 PolarHBondContact O-N 2.95Å; V236-L239 WeakPolarHBondContact O-CB 3.32Å; V236-L239 PolarHBondContact O-N 3.26Å; V236-M240 HydrophobicContact CG1-SD 4.13Å; V236-M240 WeakPolarHBondContact O-CG 3.22Å; V236-M240 PolarHBondContact O-N 2.84Å
237	V	92.6	Very high	88.8	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-68.7	-39.4	178.7	179.1	0	0	0	0	111.3	L94 T225 C233 L239 M240 K241 L261 M264 F265	L94-V237 HydrophobicContact CD2-CG1 4.21Å; T225-V237 HydrophobicContact CG2-CG2 3.91Å; C233-V237 WeakPolarHBondContact O-CG2 3.45Å; C233-V237 PolarHBondContact O-N 3.02Å; V237-L239 VanDerWaalsContact C-N 3.32Å; V237-L239 PolarHBondContact O-N 2.88Å; V237-M240 WeakPolarHBondContact O-CB 3.48Å; V237-M240 PolarHBondContact O-N 2.97Å; V237-K241 PolarHBondContact O-N 3.05Å; V237-L261 HydrophobicContact CB-CD2 4.2Å; V237-L261 HydrophobicContact CG2-CD2 4.14Å; V237-M264 HydrophobicContact CB-CE 3.73Å; V237-M264 HydrophobicContact CG1-CB 4.22Å; V237-M264 HydrophobicContact CG1-CE 3.47Å; V237-M264 VanDerWaalsContact CG1-CE 3.47Å; V237-M264 HydrophobicContact CG1-SD 4.18Å; V237-F265 HydrophobicContact CG1-CE2 4.46Å; V237-F265 HydrophobicContact CG1-CZ 4.01Å
238	S	90.9	Very high	89.1	Confident	30 Å²	30	35 Å²	35	21%	0.21	21%	0.213	C	C	.	.	H	α-helix	trans	-59.9	-42.5	173.2	172.8	0	0	0	0	111.5	F234 K241 S242	F234-S238 WeakPolarHBondContact O-CB 3.34Å; F234-S238 PolarHBondContact O-N 3.08Å; S238-K241 WeakPolarHBondContact O-CB 3.31Å; S238-K241 PolarHBondContact O-N 3.41Å; S238-S242 PolarHBondContact O-N 3.45Å; S238-S242 PolarHBondContact O-OG 3.41Å
239	L	90.2	Very high	89.4	Confident	4 Å²	4	33.3 Å²	33.3	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-59.9	-47.5	172.9	166.6	65.2	0	0	0	111.7	I41 L185 R205 I208 Q235 V236 V237 K241 S242 L243	I41-L239 HydrophobicContact CD1-CD1 3.86Å; L185-L239 HydrophobicContact CD2-CD1 3.26Å; L185-L239 HydrophobicContact CD2-CD2 3.37Å; L185-L239 HydrophobicContact CD2-CG 3.9Å; R205-L239 HydrophobicContact CG-CD2 4.14Å; I208-L239 HydrophobicContact CD1-CD2 4.02Å; Q235-L239 WeakPolarHBondContact O-CB 3.43Å; Q235-L239 PolarHBondContact O-N 2.97Å; V236-L239 WeakPolarHBondContact O-CB 3.32Å; V236-L239 PolarHBondContact O-N 3.26Å; V237-L239 VanDerWaalsContact C-N 3.32Å; V237-L239 PolarHBondContact O-N 2.88Å; L239-K241 VanDerWaalsContact C-N 3.25Å; L239-K241 PolarHBondContact O-N 2.81Å; L239-S242 PolarHBondContact O-N 2.91Å; L239-L243 HydrophobicContact CD1-CD1 4.17Å; L239-L243 HydrophobicContact CD1-CG 4.1Å; L239-L243 HydrophobicContact CG-CD1 4.14Å; L239-L243 HydrophobicContact CG-CG 4.48Å; L239-L243 WeakPolarHBondContact O-CG 3.48Å; L239-L243 PolarHBondContact O-N 3.3Å
240	M	92.3	Very high	89.7	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.1	-40	177.2	-69.8	167.8	63	0	0	111.1	L94 F221 P224 V236 V237 S242 L243 A244 I250 C252	L94-M240 HydrophobicContact CD1-CB 4.15Å; L94-M240 HydrophobicContact CD1-CE 4.03Å; F221-M240 HydrophobicContact CB-CE 4.02Å; F221-M240 HydrophobicContact CD1-CE 3.99Å; F221-M240 HydrophobicContact CD1-SD 4Å; F221-M240 HydrophobicContact CD2-CE 3.69Å; F221-M240 HydrophobicContact CE1-CE 4.28Å; F221-M240 HydrophobicContact CE1-CG 4Å; F221-M240 HydrophobicContact CE1-SD 4.04Å; F221-M240 HydrophobicContact CE2-CE 4.05Å; F221-M240 HydrophobicContact CE2-CG 4.44Å; F221-M240 HydrophobicContact CG-CE 3.66Å; F221-M240 HydrophobicContact CG-SD 4.29Å; F221-M240 HydrophobicContact CZ-CE 4.34Å; F221-M240 HydrophobicContact CZ-CG 3.98Å; F221-M240 HydrophobicContact CZ-SD 4.43Å; P224-M240 HydrophobicContact CB-SD 4.27Å; P224-M240 HydrophobicContact CG-CE 4.22Å; P224-M240 HydrophobicContact CG-SD 4.1Å; V236-M240 HydrophobicContact CG1-SD 4.13Å; V236-M240 WeakPolarHBondContact O-CG 3.22Å; V236-M240 PolarHBondContact O-N 2.84Å; V237-M240 WeakPolarHBondContact O-CB 3.48Å; V237-M240 PolarHBondContact O-N 2.97Å; M240-S242 PolarHBondContact O-N 3.38Å; M240-L243 PolarHBondContact O-N 3.36Å; M240-A244 PolarHBondContact O-N 3.07Å; M240-I250 HydrophobicContact CB-CG2 4.49Å; M240-I250 HydrophobicContact CE-CG2 3.72Å; M240-I250 VanDerWaalsContact O-CD1 3.22Å; M240-I250 WeakPolarHBondContact O-CD1 3.46Å; M240-C252 HydrophobicContact CE-CB 3.64Å
241	K	92.2	Very high	90.2	Very high	37 Å²	37	24.3 Å²	24.3	16%	0.161	15%	0.148	C	C	.	.	H	α-helix	trans	-59.3	-47.9	174.8	-174.3	64.9	170.6	-159.8	0	112	L94 V237 S238 L239 L243 A244 Q245 M264 D266	L94-K241 HydrophobicContact CB-CD 4.22Å; L94-K241 HydrophobicContact CD2-CB 4.22Å; L94-K241 HydrophobicContact CD2-CD 4.12Å; V237-K241 PolarHBondContact O-N 3.05Å; S238-K241 WeakPolarHBondContact O-CB 3.31Å; S238-K241 PolarHBondContact O-N 3.41Å; L239-K241 VanDerWaalsContact C-N 3.25Å; L239-K241 PolarHBondContact O-N 2.81Å; K241-L243 VanDerWaalsContact C-N 3.32Å; K241-L243 PolarHBondContact O-N 3.48Å; K241-A244 WeakPolarHBondContact O-CB 3.45Å; K241-A244 PolarHBondContact O-N 3.44Å; K241-Q245 WeakPolarHBondContact O-CG 3.48Å; K241-Q245 PolarHBondContact O-N 2.8Å; K241-M264 PolarHBondContact NZ-O 2.94Å; K241-D266 IonicContact NZ-OD1 2.72Å; K241-D266 PolarHBondContact NZ-OD1 3.34Å; K241-D266 IonicContact NZ-OD2 3.23Å; K241-D266 PolarHBondContact NZ-OD2 2.95Å
242	S	89	Confident	90.6	Very high	26 Å²	26	21.2 Å²	21.2	18%	0.182	13%	0.126	C	C	.	.	H	α-helix	trans	-62.9	-38.5	177.2	-55.1	0	0	0	0	112.1	S238 L239 M240 A244 Q245 G246	S238-S242 PolarHBondContact O-N 3.45Å; S238-S242 PolarHBondContact O-OG 3.41Å; L239-S242 PolarHBondContact O-N 2.91Å; M240-S242 PolarHBondContact O-N 3.38Å; S242-A244 VanDerWaalsContact C-N 3.35Å; S242-A244 PolarHBondContact O-N 3.43Å; S242-Q245 PolarHBondContact O-N 2.65Å; S242-G246 PolarHBondContact O-N 3.26Å; S242-G246 VanDerWaalsContact O-N 3.09Å
243	L	88.9	Confident	90.8	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-65	-37.3	175.8	-70.6	174.9	0	0	0	112.5	F47 I208 L212 L239 M240 K241 G246 R248 I250	F47-L243 HydrophobicContact CE2-CD2 4.31Å; F47-L243 HydrophobicContact CZ-CD2 4.44Å; I208-L243 HydrophobicContact CG2-CD1 4.08Å; L212-L243 HydrophobicContact CD1-CD1 4.17Å; L212-L243 HydrophobicContact CD1-CD2 4.25Å; L212-L243 HydrophobicContact CD2-CD1 4.13Å; L212-L243 HydrophobicContact CD2-CD2 3.7Å; L239-L243 HydrophobicContact CD1-CD1 4.17Å; L239-L243 HydrophobicContact CD1-CG 4.1Å; L239-L243 HydrophobicContact CG-CD1 4.14Å; L239-L243 HydrophobicContact CG-CG 4.48Å; L239-L243 WeakPolarHBondContact O-CG 3.48Å; L239-L243 PolarHBondContact O-N 3.3Å; M240-L243 PolarHBondContact O-N 3.36Å; K241-L243 VanDerWaalsContact C-N 3.32Å; K241-L243 PolarHBondContact O-N 3.48Å; L243-G246 PolarHBondContact O-N 2.94Å; L243-R248 WeakPolarHBondContact O-CB 3.4Å; L243-R248 PolarHBondContact O-NH1 3.18Å; L243-R248 VanDerWaalsContact O-NH1 3.09Å; L243-I250 HydrophobicContact CB-CD1 3.57Å
244	A	90.7	Very high	90.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.3	-50.5	174.3	0	0	0	0	0	110.5	R92 L94 M240 K241 S242 G246 G247 R248 I250	R92-A244 VanDerWaalsContact CA-O 3.32Å; R92-A244 WeakPolarHBondContact CA-O 3.34Å; L94-A244 HydrophobicContact CB-CB 4.32Å; M240-A244 PolarHBondContact O-N 3.07Å; K241-A244 WeakPolarHBondContact O-CB 3.45Å; K241-A244 PolarHBondContact O-N 3.44Å; S242-A244 VanDerWaalsContact C-N 3.35Å; S242-A244 PolarHBondContact O-N 3.43Å; A244-G246 PolarHBondContact O-N 2.9Å; A244-G247 PolarHBondContact O-N 3.12Å; A244-R248 PolarHBondContact O-N 3.08Å; A244-I250 HydrophobicContact CB-CB 4.48Å; A244-I250 HydrophobicContact CB-CD1 4.01Å; A244-I250 HydrophobicContact CB-CG1 4.27Å
245	Q	87.9	Confident	90.4	Very high	124 Å²	124	20.5 Å²	20.5	58%	0.579	12%	0.122	S	C	*	.	H	α-helix	trans	-54	-31.5	176	-72.2	173.6	-16.6	0	0	112.7	K241 S242 G247	K241-Q245 WeakPolarHBondContact O-CG 3.48Å; K241-Q245 PolarHBondContact O-N 2.8Å; S242-Q245 PolarHBondContact O-N 2.65Å; Q245-G247 PolarHBondContact O-N 3.39Å; Q245-G247 VanDerWaalsContact O-N 3.09Å
246	G	82.4	Confident	90.2	Very high	58 Å²	58	23.8 Å²	23.8	60%	0.598	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	1.7	172	0	0	0	0	0	116.4	S242 L243 A244	S242-G246 PolarHBondContact O-N 3.26Å; S242-G246 VanDerWaalsContact O-N 3.09Å; L243-G246 PolarHBondContact O-N 2.94Å; A244-G246 PolarHBondContact O-N 2.9Å
247	G	84.9	Confident	90	Very high	18 Å²	18	24 Å²	24	19%	0.186	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.3	5.1	177.2	0	0	0	0	0	115.6	A244 Q245	A244-G247 PolarHBondContact O-N 3.12Å; Q245-G247 PolarHBondContact O-N 3.39Å; Q245-G247 VanDerWaalsContact O-N 3.09Å
248	R	89.6	Confident	89.9	Confident	14 Å²	14	26.9 Å²	26.9	5%	0.053	16%	0.159	C	C	.	.			trans	-93.3	154.8	-177	-59.2	178.7	-172.2	84	-4.8	111.4	R92 N215 P217 L243 A244 I250	R92-R248 PolarHBondContact N-O 3.13Å; N215-R248 PolarHBondContact OD1-NE 2.88Å; N215-R248 PolarHBondContact OD1-NH2 3.25Å; P217-R248 WeakPolarHBondContact O-CA 3.4Å; L243-R248 WeakPolarHBondContact O-CB 3.4Å; L243-R248 PolarHBondContact O-NH1 3.18Å; L243-R248 VanDerWaalsContact O-NH1 3.09Å; A244-R248 PolarHBondContact O-N 3.08Å; R248-I250 HydrophobicContact CB-CD1 4.49Å; R248-I250 HydrophobicContact CB-CG1 4.2Å
249	T	93.6	Very high	89.8	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	112.5	171.3	-53.3	0	0	0	0	107.8	V56 F89 S91 I95 P217 V218 M219 M251	V56-T249 PolarHBondContact O-OG1 2.96Å; F89-T249 HydrophobicContact CB-CG2 4.34Å; S91-T249 WeakPolarHBondContact CA-OG1 3.35Å; S91-T249 PolarHBondContact N-OG1 2.79Å; I95-T249 HydrophobicContact CD1-CG2 4.24Å; P217-T249 PolarHBondContact O-N 2.95Å; V218-T249 WeakPolarHBondContact CA-O 3.48Å; M219-T249 PolarHBondContact N-O 3.1Å; T249-M251 HydrophobicContact CG2-CE 3.69Å
250	I	95.8	Very high	89.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.5	-174.5	-62.3	-175.6	0	0	0	109.9	E93 L94 I95 M219 F221 M240 L243 A244 R248	E93-I250 PolarHBondContact O-N 3.12Å; L94-I250 HydrophobicContact CD1-CB 4.03Å; L94-I250 HydrophobicContact CD1-CG2 3.54Å; I95-I250 WeakPolarHBondContact CD1-O 3.43Å; I95-I250 PolarHBondContact N-O 3.24Å; M219-I250 HydrophobicContact CB-CG1 4.32Å; F221-I250 HydrophobicContact CD2-CG2 3.72Å; F221-I250 HydrophobicContact CE2-CG2 3.54Å; M240-I250 HydrophobicContact CB-CG2 4.49Å; M240-I250 HydrophobicContact CE-CG2 3.72Å; M240-I250 VanDerWaalsContact O-CD1 3.22Å; M240-I250 WeakPolarHBondContact O-CD1 3.46Å; L243-I250 HydrophobicContact CB-CD1 3.57Å; A244-I250 HydrophobicContact CB-CB 4.48Å; A244-I250 HydrophobicContact CB-CD1 4.01Å; A244-I250 HydrophobicContact CB-CG1 4.27Å; R248-I250 HydrophobicContact CB-CD1 4.49Å; R248-I250 HydrophobicContact CB-CG1 4.2Å
251	M	96.1	Very high	89.7	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131.2	178	-57.3	176.6	-156.6	0	0	109.1	L58 F89 I95 L112 V218 M219 F220 F221 T249	L58-M251 HydrophobicContact CB-CE 4Å; L58-M251 HydrophobicContact CD1-CE 3.31Å; L58-M251 HydrophobicContact CG-CE 4.27Å; F89-M251 HydrophobicContact CB-CE 3.7Å; F89-M251 HydrophobicContact CD2-CE 3.43Å; F89-M251 VanDerWaalsContact CD2-CE 3.43Å; F89-M251 HydrophobicContact CD2-CG 4.21Å; F89-M251 HydrophobicContact CD2-SD 3.4Å; F89-M251 WeakPolarHBondContact CD2-SD 3.31Å; F89-M251 HydrophobicContact CE2-CE 4.41Å; F89-M251 HydrophobicContact CE2-SD 3.82Å; F89-M251 HydrophobicContact CG-CE 3.99Å; F89-M251 HydrophobicContact CG-SD 4.32Å; I95-M251 HydrophobicContact CB-CG 4.5Å; I95-M251 HydrophobicContact CD1-CG 4.38Å; L112-M251 HydrophobicContact CD1-SD 4.19Å; V218-M251 HydrophobicContact CG1-CE 4.46Å; M219-M251 PolarHBondContact O-N 2.93Å; F220-M251 CarbonylContact C-O 3.44Å; F220-M251 WeakPolarHBondContact CA-O 3.28Å; F220-M251 HydrophobicContact CD1-CB 4.1Å; F220-M251 HydrophobicContact CD1-SD 3.91Å; F220-M251 HydrophobicContact CE1-CE 4.2Å; F220-M251 HydrophobicContact CE1-CG 4.49Å; F220-M251 HydrophobicContact CE1-SD 3.4Å; F220-M251 WeakPolarHBondContact CE1-SD 3.28Å; F220-M251 HydrophobicContact CZ-SD 4.32Å; F221-M251 PolarHBondContact N-O 3.4Å; T249-M251 HydrophobicContact CG2-CE 3.69Å
252	C	95.1	Very high	89.6	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.3	175.8	63.1	0	0	0	0	113.1	I95 I97 F221 P224 M240 F265	I95-C252 PolarHBondContact O-N 2.98Å; I97-C252 PolarHBondContact N-O 2.92Å; F221-C252 HydrophobicContact CB-CB 3.76Å; F221-C252 CarbonylContact O-C 3.57Å; F221-C252 WeakPolarHBondContact O-CA 3.44Å; P224-C252 HydrophobicContact CG-CB 4.04Å; M240-C252 HydrophobicContact CE-CB 3.64Å; C252-F265 WeakPolarHBondContact SG-CE1 3.3Å
253	T	94.4	Very high	89.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	132.5	168.2	47.1	0	0	0	0	107.9	I97 K105 M109 F221 D222 E223 P224	I97-T253 HydrophobicContact CB-CG2 4.26Å; I97-T253 HydrophobicContact CG2-CG2 4.39Å; I97-T253 WeakPolarHBondContact O-CA 3.49Å; K105-T253 HydrophobicContact CB-CG2 3.77Å; M109-T253 HydrophobicContact CE-CG2 3.6Å; M109-T253 VanDerWaalsContact CE-N 3.33Å; M109-T253 HydrophobicContact SD-CG2 4.36Å; F221-T253 PolarHBondContact O-N 3.44Å; D222-T253 VanDerWaalsContact CA-OG1 3.3Å; D222-T253 WeakPolarHBondContact CA-OG1 3.4Å; D222-T253 PolarHBondContact OD1-OG1 2.93Å; E223-T253 VanDerWaalsContact CA-O 3.28Å; E223-T253 WeakPolarHBondContact CA-O 3.24Å; E223-T253 PolarHBondContact N-O 2.85Å; E223-T253 PolarHBondContact N-OG1 3.5Å; P224-T253 WeakPolarHBondContact CD-O 3.42Å
254	I	90.1	Very high	89.9	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.01	22%	0.221	C	C	.	.			trans	-132.7	134.3	177.3	-59.8	176.1	0	0	0	109.4	I97 P257 F265	I97-I254 PolarHBondContact O-N 2.92Å; I97-I254 VanDerWaalsContact O-N 3.1Å; I254-P257 HydrophobicContact CG2-CB 3.83Å; I254-P257 HydrophobicContact CG2-CG 4.04Å; I254-F265 HydrophobicContact CD1-CE1 3.67Å; I254-F265 HydrophobicContact CD1-CE2 3.44Å; I254-F265 VanDerWaalsContact CD1-CE2 3.44Å; I254-F265 HydrophobicContact CD1-CZ 2.95Å; I254-F265 HydrophobicContact CG1-CZ 4.4Å
255	H	82.6	Confident	90.1	Very high	74 Å²	74	40.4 Å²	40.4	34%	0.343	22%	0.222	S	C	.	.	S	Bend	trans	-100.4	117.3	171.7	-167.6	-77.9	0	0	0	108.4
256	Q	82.8	Confident	90.4	Very high	107 Å²	107	37.3 Å²	37.3	50%	0.5	21%	0.21	S	C	.	.	S	Bend	trans	42.5	72.8	174.2	-68.1	174.8	-36.4	0	0	114.6	I307	Q256-I307 HydrophobicContact CG-CD1 3.96Å
257	P	88.6	Confident	90.9	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.032	19%	0.19	C	C	.	.			trans	-71.5	148.9	175.7	27.9	-29.5	0	0	0	111.8	M98 I254 L261 F262 N301 A303	M98-P257 HydrophobicContact CE-CG 3.79Å; M98-P257 HydrophobicContact SD-CG 4.21Å; I254-P257 HydrophobicContact CG2-CB 3.83Å; I254-P257 HydrophobicContact CG2-CG 4.04Å; P257-L261 HydrophobicContact CB-CB 4.09Å; P257-F262 HydrophobicContact CG-CB 4.24Å; P257-F262 HydrophobicContact CG-CD2 4.27Å; P257-N301 PolarHBondContact O-ND2 3.21Å; P257-A303 HydrophobicContact CG-CB 3.83Å
258	S	89.6	Confident	91.3	Very high	63 Å²	63	35.8 Å²	35.8	44%	0.441	18%	0.181	S	C	.	.			trans	-63.4	152	165	67.8	0	0	0	0	111.1	K260 L261 F262	S258-K260 PolarHBondContact O-N 3.33Å; S258-K260 VanDerWaalsContact O-N 3.12Å; S258-L261 WeakPolarHBondContact O-CA 3.33Å; S258-L261 WeakPolarHBondContact O-CB 3.45Å; S258-L261 PolarHBondContact O-N 2.87Å; S258-L261 WeakPolarHBondContact OG-CD1 3.48Å; S258-L261 WeakPolarHBondContact OG-CG 3.3Å; S258-F262 PolarHBondContact O-N 3.48Å
259	A	88.8	Confident	91.6	Very high	45 Å²	45	35.2 Å²	35.2	37%	0.372	18%	0.179	S	C	.	.	H	α-helix	trans	-51.3	-40.1	-178.5	0	0	0	0	0	113	L261 F262 E263	A259-L261 VanDerWaalsContact C-N 3.34Å; A259-L261 PolarHBondContact O-N 3.22Å; A259-F262 WeakPolarHBondContact O-CB 3.31Å; A259-F262 PolarHBondContact O-N 3.38Å; A259-E263 WeakPolarHBondContact O-CG 3.31Å; A259-E263 PolarHBondContact O-N 2.88Å; A259-E263 VanDerWaalsContact O-N 3.08Å
260	K	88.9	Confident	91.6	Very high	129 Å²	129	35.2 Å²	35.2	56%	0.561	18%	0.179	S	C	*	.	H	α-helix	trans	-62.8	-37.2	176.7	-171.4	179.7	-175.6	-173.4	0	113.3	F234 S258	F234-K260 HydrophobicContact CD2-CD 4.14Å; F234-K260 HydrophobicContact CD2-CG 4.36Å; F234-K260 HydrophobicContact CE2-CD 4.09Å; F234-K260 VanDerWaalsContact CE2-CE 3.41Å; F234-K260 HydrophobicContact CE2-CG 4.19Å; S258-K260 PolarHBondContact O-N 3.33Å; S258-K260 VanDerWaalsContact O-N 3.12Å
261	L	90.9	Very high	91.5	Very high	14 Å²	14	35.2 Å²	35.2	7%	0.073	18%	0.179	C	C	.	.	H	α-helix	trans	-74.2	-39.7	176.1	-63.4	172.1	0	0	0	110.8	C233 F234 V237 P257 S258 A259 E263 M264 F265	C233-L261 HydrophobicContact CB-CD1 4.48Å; C233-L261 WeakPolarHBondContact SG-CD1 3.15Å; F234-L261 HydrophobicContact CB-CD2 4.22Å; F234-L261 HydrophobicContact CD2-CD2 4.16Å; V237-L261 HydrophobicContact CB-CD2 4.2Å; V237-L261 HydrophobicContact CG2-CD2 4.14Å; P257-L261 HydrophobicContact CB-CB 4.09Å; S258-L261 WeakPolarHBondContact O-CA 3.33Å; S258-L261 WeakPolarHBondContact O-CB 3.45Å; S258-L261 PolarHBondContact O-N 2.87Å; S258-L261 WeakPolarHBondContact OG-CD1 3.48Å; S258-L261 WeakPolarHBondContact OG-CG 3.3Å; A259-L261 VanDerWaalsContact C-N 3.34Å; A259-L261 PolarHBondContact O-N 3.22Å; L261-E263 VanDerWaalsContact C-N 3.3Å; L261-E263 PolarHBondContact O-N 3.02Å; L261-M264 HydrophobicContact CB-CE 4.34Å; L261-M264 HydrophobicContact CD2-CE 3.36Å; L261-M264 HydrophobicContact CG-CE 4.37Å; L261-M264 WeakPolarHBondContact O-CB 3.13Å; L261-M264 PolarHBondContact O-N 3.04Å; L261-M264 VanDerWaalsContact O-N 3.09Å; L261-F265 VanDerWaalsContact O-CD2 3.31Å; L261-F265 WeakPolarHBondContact O-CD2 3.16Å; L261-F265 WeakPolarHBondContact O-CE2 3.39Å
262	F	91.9	Very high	91.3	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.035	18%	0.18	C	C	.	.	H	α-helix	trans	-57.4	-41.8	179.4	178.6	-107	0	0	0	112.3	M98 P257 S258 A259 M264 F265 L268 V282 L285 P302 A303	M98-F262 HydrophobicContact CE-CD2 3.96Å; M98-F262 HydrophobicContact CE-CE2 4.33Å; M98-F262 HydrophobicContact SD-CD2 4.18Å; M98-F262 HydrophobicContact SD-CE2 4.13Å; P257-F262 HydrophobicContact CG-CB 4.24Å; P257-F262 HydrophobicContact CG-CD2 4.27Å; S258-F262 PolarHBondContact O-N 3.48Å; A259-F262 WeakPolarHBondContact O-CB 3.31Å; A259-F262 PolarHBondContact O-N 3.38Å; F262-M264 PolarHBondContact O-N 3.46Å; F262-F265 WeakPolarHBondContact O-CD2 3.32Å; F262-F265 PolarHBondContact O-N 3.36Å; F262-L268 HydrophobicContact CD2-CD2 4.45Å; F262-L268 HydrophobicContact CE2-CD1 3.38Å; F262-L268 HydrophobicContact CE2-CD2 3.95Å; F262-L268 HydrophobicContact CE2-CG 4.3Å; F262-L268 HydrophobicContact CZ-CD1 3.46Å; F262-L268 VanDerWaalsContact CZ-CD1 3.46Å; F262-V282 HydrophobicContact CD1-CG1 3.89Å; F262-V282 HydrophobicContact CE1-CG1 3.43Å; F262-V282 VanDerWaalsContact CE1-CG1 3.43Å; F262-V282 HydrophobicContact CZ-CG1 3.83Å; F262-L285 HydrophobicContact CE1-CD2 4.49Å; F262-L285 HydrophobicContact CE2-CD2 4.43Å; F262-L285 HydrophobicContact CZ-CD2 3.64Å; F262-P302 HydrophobicContact CE1-CB 3.94Å; F262-P302 HydrophobicContact CZ-CB 4.4Å; F262-A303 HydrophobicContact CB-CB 4.32Å; F262-A303 HydrophobicContact CD2-CB 3.48Å; F262-A303 VanDerWaalsContact CD2-CB 3.48Å; F262-A303 HydrophobicContact CE2-CB 3.81Å; F262-A303 HydrophobicContact CG-CB 3.88Å; F262-A303 HydrophobicContact CZ-CB 4.49Å
263	E	91.4	Very high	91.1	Very high	149 Å²	149	40.9 Å²	40.9	70%	0.696	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-18.7	177.3	-72.5	176	-179.7	0	0	114.4	A259 L261 F265	A259-E263 WeakPolarHBondContact O-CG 3.31Å; A259-E263 PolarHBondContact O-N 2.88Å; A259-E263 VanDerWaalsContact O-N 3.08Å; L261-E263 VanDerWaalsContact C-N 3.3Å; L261-E263 PolarHBondContact O-N 3.02Å; E263-F265 VanDerWaalsContact C-N 3.33Å
264	M	91.7	Very high	90.8	Very high	31 Å²	31	41 Å²	41	15%	0.153	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-17.7	179.4	-69	-167	-79.3	0	0	113.6	F234 V237 K241 L261 F262	F234-M264 HydrophobicContact CD2-CE 3.56Å; F234-M264 HydrophobicContact CD2-SD 4.18Å; F234-M264 HydrophobicContact CE2-CE 3.67Å; F234-M264 HydrophobicContact CE2-SD 3.68Å; F234-M264 HydrophobicContact CZ-SD 4.35Å; V237-M264 HydrophobicContact CB-CE 3.73Å; V237-M264 HydrophobicContact CG1-CB 4.22Å; V237-M264 HydrophobicContact CG1-CE 3.47Å; V237-M264 VanDerWaalsContact CG1-CE 3.47Å; V237-M264 HydrophobicContact CG1-SD 4.18Å; K241-M264 PolarHBondContact NZ-O 2.94Å; L261-M264 HydrophobicContact CB-CE 4.34Å; L261-M264 HydrophobicContact CD2-CE 3.36Å; L261-M264 HydrophobicContact CG-CE 4.37Å; L261-M264 WeakPolarHBondContact O-CB 3.13Å; L261-M264 PolarHBondContact O-N 3.04Å; L261-M264 VanDerWaalsContact O-N 3.09Å; F262-M264 PolarHBondContact O-N 3.46Å
265	F	94.3	Very high	90.9	Very high	7 Å²	7	43 Å²	43	3%	0.031	22%	0.216	C	C	.	.			trans	-71.9	137.7	179.3	-69.7	-76	0	0	0	111.1	L94 M98 V237 C252 I254 L261 F262 E263 L268 V282	L94-F265 HydrophobicContact CD1-CD1 4.49Å; L94-F265 HydrophobicContact CD1-CE1 4.07Å; L94-F265 HydrophobicContact CD2-CD1 4Å; L94-F265 HydrophobicContact CD2-CE1 3.75Å; L94-F265 HydrophobicContact CD2-CZ 4.34Å; L94-F265 HydrophobicContact CG-CD1 3.7Å; L94-F265 HydrophobicContact CG-CE1 3.65Å; M98-F265 HydrophobicContact CE-CD2 4.16Å; M98-F265 HydrophobicContact CE-CE2 4.41Å; V237-F265 HydrophobicContact CG1-CE2 4.46Å; V237-F265 HydrophobicContact CG1-CZ 4.01Å; C252-F265 WeakPolarHBondContact SG-CE1 3.3Å; I254-F265 HydrophobicContact CD1-CE1 3.67Å; I254-F265 HydrophobicContact CD1-CE2 3.44Å; I254-F265 VanDerWaalsContact CD1-CE2 3.44Å; I254-F265 HydrophobicContact CD1-CZ 2.95Å; I254-F265 HydrophobicContact CG1-CZ 4.4Å; L261-F265 VanDerWaalsContact O-CD2 3.31Å; L261-F265 WeakPolarHBondContact O-CD2 3.16Å; L261-F265 WeakPolarHBondContact O-CE2 3.39Å; F262-F265 WeakPolarHBondContact O-CD2 3.32Å; F262-F265 PolarHBondContact O-N 3.36Å; E263-F265 VanDerWaalsContact C-N 3.33Å; F265-L268 HydrophobicContact CB-CD2 4.07Å; F265-L268 HydrophobicContact CG-CD2 4.42Å; F265-V282 HydrophobicContact CB-CG2 3.75Å; F265-V282 WeakPolarHBondContact O-CG2 3.39Å
266	D	93.9	Very high	91.4	Very high	58 Å²	58	39.7 Å²	39.7	31%	0.31	20%	0.202	S	C	.	.	S	Bend	trans	-79.4	-38.6	172.8	-63.9	-60.3	0	0	0	110.5	E93 L94 K241 T281	E93-D266 HydrophobicContact CB-CB 4.24Å; L94-D266 PolarHBondContact N-OD2 2.97Å; L94-D266 PolarHBondContact O-N 2.74Å; K241-D266 IonicContact NZ-OD1 2.72Å; K241-D266 PolarHBondContact NZ-OD1 3.34Å; K241-D266 IonicContact NZ-OD2 3.23Å; K241-D266 PolarHBondContact NZ-OD2 2.95Å; D266-T281 WeakPolarHBondContact O-CA 3.48Å
267	K	93.8	Very high	91.8	Very high	43 Å²	43	34.7 Å²	34.7	19%	0.187	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143.8	-172	-161.4	175.1	-165.7	164.6	0	111.1	R88 L94 I95 G96 G280	R88-K267 PolarHBondContact O-NZ 2.93Å; L94-K267 PolarHBondContact O-N 3.13Å; I95-K267 WeakPolarHBondContact CA-O 3.45Å; I95-K267 HydrophobicContact CG1-CB 4.11Å; I95-K267 HydrophobicContact CG1-CD 4.48Å; G96-K267 PolarHBondContact N-O 2.87Å; K267-G280 WeakPolarHBondContact CA-O 3.49Å; K267-G280 VanDerWaalsContact CG-O 3.31Å; K267-G280 WeakPolarHBondContact CG-O 3.46Å
268	L	94.1	Very high	92	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	143.6	176	-59.8	173.3	0	0	0	110.5	G96 M98 F262 F265 I270 Y278 K279 G280 V282 L285	G96-L268 WeakPolarHBondContact O-CA 3.3Å; M98-L268 HydrophobicContact CE-CD2 3.61Å; M98-L268 HydrophobicContact SD-CD2 4Å; F262-L268 HydrophobicContact CD2-CD2 4.45Å; F262-L268 HydrophobicContact CE2-CD1 3.38Å; F262-L268 HydrophobicContact CE2-CD2 3.95Å; F262-L268 HydrophobicContact CE2-CG 4.3Å; F262-L268 HydrophobicContact CZ-CD1 3.46Å; F262-L268 VanDerWaalsContact CZ-CD1 3.46Å; F265-L268 HydrophobicContact CB-CD2 4.07Å; F265-L268 HydrophobicContact CG-CD2 4.42Å; L268-I270 HydrophobicContact CB-CG1 4.4Å; L268-Y278 HydrophobicContact CB-CD1 4.15Å; L268-Y278 HydrophobicContact CB-CE1 4.03Å; L268-Y278 HydrophobicContact CD1-CE1 4.3Å; L268-K279 WeakPolarHBondContact O-CA 3.4Å; L268-G280 PolarHBondContact N-O 3.34Å; L268-G280 PolarHBondContact O-N 3.05Å; L268-G280 VanDerWaalsContact O-N 3.15Å; L268-V282 HydrophobicContact CD1-CB 4.4Å; L268-V282 HydrophobicContact CD1-CG2 3.87Å; L268-V282 HydrophobicContact CD2-CG2 4.03Å; L268-V282 HydrophobicContact CG-CG2 3.71Å; L268-L285 HydrophobicContact CD1-CD2 4.28Å
269	Y	94.6	Very high	92.1	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	104.6	170.2	-161.7	-88.4	0	0	0	108.7	F60 S86 F89 G96 I97 M98 L108 L271 C276 K279	F60-Y269 HydrophobicContact CE2-CE2 4.38Å; F60-Y269 AromaticContact CE2-CZ 3.96Å; F60-Y269 WeakPolarHBondContact CE2-OH 3.48Å; F60-Y269 HydrophobicContact CZ-CE1 4.35Å; F60-Y269 AromaticContact CZ-CE2 3.82Å; F60-Y269 HydrophobicContact CZ-CE2 3.82Å; F60-Y269 AromaticContact CZ-CZ 3.73Å; S86-Y269 PolarHBondContact O-OH 3.45Å; F89-Y269 AromaticContact CE1-CD2 3.89Å; F89-Y269 HydrophobicContact CE1-CD2 3.89Å; F89-Y269 HydrophobicContact CE1-CG 4.2Å; F89-Y269 AromaticContact CZ-CD2 3.97Å; F89-Y269 HydrophobicContact CZ-CD2 3.97Å; F89-Y269 AromaticContact CZ-CG 3.98Å; F89-Y269 HydrophobicContact CZ-CG 3.98Å; G96-Y269 PolarHBondContact O-N 3.39Å; I97-Y269 VanDerWaalsContact CA-O 3.31Å; I97-Y269 WeakPolarHBondContact CA-O 3.49Å; M98-Y269 PolarHBondContact N-O 3.32Å; L108-Y269 HydrophobicContact CD2-CD1 4Å; L108-Y269 HydrophobicContact CD2-CE1 3.8Å; Y269-L271 HydrophobicContact CD1-CD2 4.24Å; Y269-L271 HydrophobicContact CD1-CG 4.17Å; Y269-L271 HydrophobicContact CE1-CD2 3.7Å; Y269-L271 HydrophobicContact CE1-CG 4.13Å; Y269-C276 HydrophobicContact CE1-CB 4.27Å; Y269-K279 HydrophobicContact CD2-CB 3.78Å; Y269-K279 HydrophobicContact CE2-CB 3.95Å; Y269-K279 HydrophobicContact CE2-CD 4.23Å
270	I	93.9	Very high	92.2	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.4	-171.5	-47.7	-177.9	0	0	0	109.7	M98 L268 I277 Y278 L285 I306	M98-I270 HydrophobicContact CB-CG1 4.38Å; M98-I270 WeakPolarHBondContact O-CA 3.09Å; L268-I270 HydrophobicContact CB-CG1 4.4Å; I270-I277 HydrophobicContact CB-CD1 4.33Å; I270-I277 HydrophobicContact CB-CG1 3.84Å; I270-I277 HydrophobicContact CG2-CD1 3.6Å; I270-I277 HydrophobicContact CG2-CG1 3.63Å; I270-I277 WeakPolarHBondContact O-CG1 3.29Å; I270-I277 PolarHBondContact O-N 2.96Å; I270-Y278 HydrophobicContact CD1-CD1 3.85Å; I270-Y278 HydrophobicContact CD1-CG 4.31Å; I270-Y278 HydrophobicContact CG1-CD1 4.1Å; I270-Y278 PolarHBondContact N-O 3.27Å; I270-L285 HydrophobicContact CD1-CD1 4.19Å; I270-I306 HydrophobicContact CD1-CB 4.3Å; I270-I306 HydrophobicContact CD1-CG1 3.59Å; I270-I306 HydrophobicContact CD1-CG2 3.77Å; I270-I306 HydrophobicContact CG2-CG1 4.32Å
271	L	93.3	Very high	92.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	139.3	-178.5	-71.1	173.2	0	0	0	111.2	L85 I97 M98 G99 P100 A103 K105 L108 Y269 Q275	L85-L271 HydrophobicContact CD1-CD2 3.84Å; L85-L271 HydrophobicContact CD2-CD2 3.74Å; L85-L271 HydrophobicContact CG-CD2 4.48Å; I97-L271 HydrophobicContact CG2-CD1 4.2Å; M98-L271 PolarHBondContact O-N 2.88Å; G99-L271 VanDerWaalsContact CA-O 3.28Å; G99-L271 WeakPolarHBondContact CA-O 3.43Å; P100-L271 WeakPolarHBondContact CD-O 3.49Å; A103-L271 HydrophobicContact CB-CB 4.17Å; A103-L271 WeakPolarHBondContact CB-O 3.5Å; K105-L271 HydrophobicContact CG-CD1 4.48Å; L108-L271 HydrophobicContact CB-CD1 4.24Å; L108-L271 HydrophobicContact CD2-CD1 3.85Å; Y269-L271 HydrophobicContact CD1-CD2 4.24Å; Y269-L271 HydrophobicContact CD1-CG 4.17Å; Y269-L271 HydrophobicContact CE1-CD2 3.7Å; Y269-L271 HydrophobicContact CE1-CG 4.13Å; L271-Q275 CarbonylContact C-O 3.45Å; L271-Q275 VanDerWaalsContact CA-O 3.29Å; L271-Q275 WeakPolarHBondContact CA-O 3.32Å; L271-Q275 WeakPolarHBondContact CD2-O 3.31Å
272	S	92.9	Very high	92.4	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	133.5	166	-171.7	0	0	0	0	109.3	G274 Q275 A310 N318	S272-G274 PolarHBondContact O-N 2.97Å; S272-Q275 PolarHBondContact N-O 3.28Å; S272-Q275 PolarHBondContact O-N 2.88Å; S272-Q275 VanDerWaalsContact O-O 3.13Å; S272-A310 PolarHBondContact OG-O 2.99Å; S272-N318 PolarHBondContact OG-OD1 2.92Å
273	Q	89.6	Confident	92.3	Very high	118 Å²	118	32.9 Å²	32.9	55%	0.551	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.7	34.7	177.9	-53.2	-176.2	16	0	0	115.5	Q275	Q273-Q275 VanDerWaalsContact C-N 3.33Å
274	G	89.4	Confident	92.3	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.01	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	5.9	-178.9	0	0	0	0	0	115.6	L81 L82 K83 L85 A103 S272	L81-G274 WeakPolarHBondContact O-CA 3.45Å; L82-G274 WeakPolarHBondContact CA-O 3.43Å; K83-G274 PolarHBondContact N-O 3.09Å; L85-G274 WeakPolarHBondContact CD2-O 3.43Å; A103-G274 WeakPolarHBondContact O-CA 3.39Å; A103-G274 PolarHBondContact O-N 3.26Å; S272-G274 PolarHBondContact O-N 2.97Å
275	Q	91.7	Very high	92.3	Very high	44 Å²	44	26.4 Å²	26.4	21%	0.206	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	155.1	178.1	-73.7	173.6	-50	0	0	110.8	K83 L271 S272 Q273 F322	K83-Q275 HydrophobicContact CB-CG 3.81Å; K83-Q275 HydrophobicContact CD-CG 3.98Å; K83-Q275 HydrophobicContact CG-CG 4.45Å; L271-Q275 CarbonylContact C-O 3.45Å; L271-Q275 VanDerWaalsContact CA-O 3.29Å; L271-Q275 WeakPolarHBondContact CA-O 3.32Å; L271-Q275 WeakPolarHBondContact CD2-O 3.31Å; S272-Q275 PolarHBondContact N-O 3.28Å; S272-Q275 PolarHBondContact O-N 2.88Å; S272-Q275 VanDerWaalsContact O-O 3.13Å; Q273-Q275 VanDerWaalsContact C-N 3.33Å; Q275-F322 HydrophobicContact CB-CD2 3.65Å; Q275-F322 HydrophobicContact CB-CE2 3.84Å; Q275-F322 HydrophobicContact CG-CD2 3.92Å; Q275-F322 HydrophobicContact CG-CE2 3.7Å; Q275-F322 HydrophobicContact CG-CZ 4.3Å; Q275-F322 VanDerWaalsContact NE2-CZ 3.29Å
276	C	92.7	Very high	92.1	Very high	6 Å²	6	30.1 Å²	30.1	4%	0.041	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	123.8	175.6	-179.6	0	0	0	0	109.7	L85 Y269 Y278 V325	L85-C276 HydrophobicContact CD2-CB 3.95Å; Y269-C276 HydrophobicContact CE1-CB 4.27Å; C276-Y278 PolarHBondContact SG-O 3.49Å; C276-V325 HydrophobicContact CB-CG1 4.46Å
277	I	92.1	Very high	92	Very high	2 Å²	2	30 Å²	30	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-20.5	177.6	61.6	166.5	0	0	0	113	I270 Y288 I306 A310 L321 V325	I270-I277 HydrophobicContact CB-CD1 4.33Å; I270-I277 HydrophobicContact CB-CG1 3.84Å; I270-I277 HydrophobicContact CG2-CD1 3.6Å; I270-I277 HydrophobicContact CG2-CG1 3.63Å; I270-I277 WeakPolarHBondContact O-CG1 3.29Å; I270-I277 PolarHBondContact O-N 2.96Å; I277-Y288 PolarHBondContact O-OH 3.17Å; I277-I306 HydrophobicContact CD1-CD1 4.13Å; I277-I306 HydrophobicContact CD1-CG1 4.35Å; I277-A310 HydrophobicContact CD1-CB 3.62Å; I277-L321 HydrophobicContact CB-CB 4.06Å; I277-L321 HydrophobicContact CG2-CB 4.24Å; I277-V325 VanDerWaalsContact C-CG2 3.42Å; I277-V325 VanDerWaalsContact O-CG2 3.23Å; I277-V325 WeakPolarHBondContact O-CG2 3.46Å
278	Y	92.4	Very high	91.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	139.6	174.3	179.3	-105.6	0	0	0	110.8	L268 I270 C276 T281 Y284 L285 Y288	L268-Y278 HydrophobicContact CB-CD1 4.15Å; L268-Y278 HydrophobicContact CB-CE1 4.03Å; L268-Y278 HydrophobicContact CD1-CE1 4.3Å; I270-Y278 HydrophobicContact CD1-CD1 3.85Å; I270-Y278 HydrophobicContact CD1-CG 4.31Å; I270-Y278 HydrophobicContact CG1-CD1 4.1Å; I270-Y278 PolarHBondContact N-O 3.27Å; C276-Y278 PolarHBondContact SG-O 3.49Å; Y278-T281 PolarHBondContact OH-O 3.41Å; Y278-Y284 HydrophobicContact CE2-CD1 4.09Å; Y278-L285 HydrophobicContact CD1-CD1 3.79Å; Y278-L285 HydrophobicContact CD2-CD1 4.08Å; Y278-L285 HydrophobicContact CE1-CB 4.18Å; Y278-L285 HydrophobicContact CE1-CD1 3.91Å; Y278-L285 HydrophobicContact CE2-CD1 4.19Å; Y278-L285 HydrophobicContact CG-CD1 3.87Å; Y278-L285 PolarHBondContact OH-N 2.83Å; Y278-L285 VanDerWaalsContact OH-N 3.16Å; Y278-Y288 AromaticContact CD2-CD1 3.45Å; Y278-Y288 HydrophobicContact CD2-CD1 3.45Å; Y278-Y288 VanDerWaalsContact CD2-CD1 3.45Å; Y278-Y288 HydrophobicContact CD2-CD2 4.36Å; Y278-Y288 AromaticContact CD2-CE1 3.68Å; Y278-Y288 HydrophobicContact CD2-CE1 3.68Å; Y278-Y288 AromaticContact CD2-CG 3.81Å; Y278-Y288 HydrophobicContact CD2-CG 3.81Å; Y278-Y288 AromaticContact CE2-CD1 3.88Å; Y278-Y288 HydrophobicContact CE2-CD1 3.88Å; Y278-Y288 HydrophobicContact CE2-CD2 4.44Å; Y278-Y288 AromaticContact CE2-CG 3.82Å; Y278-Y288 HydrophobicContact CE2-CG 3.82Å; Y278-Y288 HydrophobicContact CG-CD1 4.44Å; Y278-Y288 HydrophobicContact CG-CE1 4.47Å
279	K	92	Very high	91.6	Very high	50 Å²	50	28 Å²	28	22%	0.217	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	122.5	169.3	60.9	-176.4	178.6	-179.4	0	108.8	S86 L268 Y269 V325 C330	S86-K279 PolarHBondContact O-NZ 3.32Å; L268-K279 WeakPolarHBondContact O-CA 3.4Å; Y269-K279 HydrophobicContact CD2-CB 3.78Å; Y269-K279 HydrophobicContact CE2-CB 3.95Å; Y269-K279 HydrophobicContact CE2-CD 4.23Å; K279-V325 HydrophobicContact CD-CG1 4.42Å; K279-C330 HydrophobicContact CG-CB 4.09Å; K279-C330 WeakPolarHBondContact O-CB 3.46Å
280	G	90.9	Very high	91.4	Very high	7 Å²	7	34 Å²	34	7%	0.072	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.2	-172.9	-174.3	0	0	0	0	0	112.9	K267 L268	K267-G280 WeakPolarHBondContact CA-O 3.49Å; K267-G280 VanDerWaalsContact CG-O 3.31Å; K267-G280 WeakPolarHBondContact CG-O 3.46Å; L268-G280 PolarHBondContact N-O 3.34Å; L268-G280 PolarHBondContact O-N 3.05Å; L268-G280 VanDerWaalsContact O-N 3.15Å
281	T	92.1	Very high	91.2	Very high	49 Å²	49	39.2 Å²	39.2	30%	0.301	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	160.3	175.5	70.6	0	0	0	0	111.1	D266 Y278 E333	D266-T281 WeakPolarHBondContact O-CA 3.48Å; Y278-T281 PolarHBondContact OH-O 3.41Å; T281-E333 PolarHBondContact OG1-OE1 3.47Å
282	V	90.9	Very high	90.9	Very high	15 Å²	15	41.6 Å²	41.6	9%	0.091	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-48.2	177	174.7	0	0	0	0	112.5	F262 F265 L268 Y284 L285	F262-V282 HydrophobicContact CD1-CG1 3.89Å; F262-V282 HydrophobicContact CE1-CG1 3.43Å; F262-V282 VanDerWaalsContact CE1-CG1 3.43Å; F262-V282 HydrophobicContact CZ-CG1 3.83Å; F265-V282 HydrophobicContact CB-CG2 3.75Å; F265-V282 WeakPolarHBondContact O-CG2 3.39Å; L268-V282 HydrophobicContact CD1-CB 4.4Å; L268-V282 HydrophobicContact CD1-CG2 3.87Å; L268-V282 HydrophobicContact CD2-CG2 4.03Å; L268-V282 HydrophobicContact CG-CG2 3.71Å; V282-Y284 PolarHBondContact O-N 2.89Å; V282-L285 WeakPolarHBondContact O-CB 3.24Å; V282-L285 PolarHBondContact O-N 2.85Å
283	P	90.7	Very high	90.6	Very high	104 Å²	104	44 Å²	44	68%	0.675	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.3	-176.5	-23.9	35.8	0	0	0	114	L285 P287	P283-L285 VanDerWaalsContact C-N 3.31Å; P283-L285 PolarHBondContact O-N 3.29Å; P283-P287 WeakPolarHBondContact O-CD 3.28Å
284	Y	91.1	Very high	90.6	Very high	44 Å²	44	39.4 Å²	39.4	17%	0.173	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-10.7	-178.2	-173.8	-108.4	0	0	0	114.3	Y278 V282 I286 P287 Y288 L329 E333	Y278-Y284 HydrophobicContact CE2-CD1 4.09Å; V282-Y284 PolarHBondContact O-N 2.89Å; Y284-I286 PolarHBondContact O-N 3.04Å; Y284-P287 HydrophobicContact CD2-CB 4.3Å; Y284-P287 HydrophobicContact CE2-CB 4.45Å; Y284-P287 WeakPolarHBondContact O-CD 3.38Å; Y284-Y288 HydrophobicContact CE1-CD2 4.43Å; Y284-Y288 VanDerWaalsContact O-CB 3.27Å; Y284-Y288 WeakPolarHBondContact O-CB 3.2Å; Y284-Y288 PolarHBondContact O-N 3.25Å; Y284-L329 PolarHBondContact OH-O 3.5Å; Y284-E333 WeakPolarHBondContact CB-OE1 3.44Å; Y284-E333 HydrophobicContact CD1-CB 4.43Å; Y284-E333 HydrophobicContact CD1-CG 4.11Å; Y284-E333 WeakPolarHBondContact CD1-OE2 3.26Å; Y284-E333 HydrophobicContact CD2-CG 3.89Å; Y284-E333 HydrophobicContact CE1-CB 4.34Å; Y284-E333 HydrophobicContact CE1-CG 4.41Å; Y284-E333 HydrophobicContact CE2-CG 4.2Å; Y284-E333 HydrophobicContact CG-CG 3.85Å
285	L	91.2	Very high	90.6	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-59.9	-47.3	179.8	178.8	64.7	0	0	0	111.9	F262 L268 I270 Y278 V282 P283 Y288 L289 P302 I306	F262-L285 HydrophobicContact CE1-CD2 4.49Å; F262-L285 HydrophobicContact CE2-CD2 4.43Å; F262-L285 HydrophobicContact CZ-CD2 3.64Å; L268-L285 HydrophobicContact CD1-CD2 4.28Å; I270-L285 HydrophobicContact CD1-CD1 4.19Å; Y278-L285 HydrophobicContact CD1-CD1 3.79Å; Y278-L285 HydrophobicContact CD2-CD1 4.08Å; Y278-L285 HydrophobicContact CE1-CB 4.18Å; Y278-L285 HydrophobicContact CE1-CD1 3.91Å; Y278-L285 HydrophobicContact CE2-CD1 4.19Å; Y278-L285 HydrophobicContact CG-CD1 3.87Å; Y278-L285 PolarHBondContact OH-N 2.83Å; Y278-L285 VanDerWaalsContact OH-N 3.16Å; V282-L285 WeakPolarHBondContact O-CB 3.24Å; V282-L285 PolarHBondContact O-N 2.85Å; P283-L285 VanDerWaalsContact C-N 3.31Å; P283-L285 PolarHBondContact O-N 3.29Å; L285-Y288 WeakPolarHBondContact O-CB 3.2Å; L285-Y288 PolarHBondContact O-N 3.04Å; L285-L289 HydrophobicContact CD1-CD1 4.08Å; L285-L289 HydrophobicContact CD1-CG 4.24Å; L285-L289 HydrophobicContact CG-CD1 4.07Å; L285-L289 WeakPolarHBondContact O-CG 3.42Å; L285-L289 PolarHBondContact O-N 2.84Å; L285-P302 HydrophobicContact CD2-CB 4.41Å; L285-I306 HydrophobicContact CD1-CG1 4.3Å; L285-I306 HydrophobicContact CD2-CB 4.47Å; L285-I306 HydrophobicContact CD2-CG2 4.24Å
286	I	91.6	Very high	90.4	Very high	84 Å²	84	44.9 Å²	44.9	43%	0.431	25%	0.251	S	S	.	.	H	α-helix	trans	-66.2	-48.1	-177.1	-59.9	171.4	0	0	0	111.4	Y284 Y288 L289 K290 P302	Y284-I286 PolarHBondContact O-N 3.04Å; I286-Y288 VanDerWaalsContact C-N 3.3Å; I286-Y288 PolarHBondContact O-N 3.47Å; I286-L289 PolarHBondContact O-N 3.46Å; I286-K290 WeakPolarHBondContact O-CB 3.5Å; I286-K290 PolarHBondContact O-N 3.22Å; I286-P302 HydrophobicContact CD1-CB 4.45Å; I286-P302 HydrophobicContact CD1-CG 3.98Å; I286-P302 HydrophobicContact CG1-CB 4.35Å; I286-P302 HydrophobicContact CG1-CG 4.4Å
287	P	91.4	Very high	90.3	Very high	56 Å²	56	47.8 Å²	47.8	36%	0.364	27%	0.27	S	S	.	.	H	α-helix	trans	-55.5	-41.7	171.3	-27.4	33.8	0	0	0	113.8	P283 Y284 K290 N291	P283-P287 WeakPolarHBondContact O-CD 3.28Å; Y284-P287 HydrophobicContact CD2-CB 4.3Å; Y284-P287 HydrophobicContact CE2-CB 4.45Å; Y284-P287 WeakPolarHBondContact O-CD 3.38Å; P287-K290 PolarHBondContact O-N 3.38Å; P287-N291 VanDerWaalsContact O-CG 3.26Å; P287-N291 PolarHBondContact O-N 2.95Å; P287-N291 PolarHBondContact O-ND2 2.83Å
288	Y	90	Very high	90.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.8	-47.6	178.2	171	-100.8	0	0	0	111.8	I277 Y278 Y284 L285 I286 K290 N291 L292 L321 A324 L329	I277-Y288 PolarHBondContact O-OH 3.17Å; Y278-Y288 AromaticContact CD2-CD1 3.45Å; Y278-Y288 HydrophobicContact CD2-CD1 3.45Å; Y278-Y288 VanDerWaalsContact CD2-CD1 3.45Å; Y278-Y288 HydrophobicContact CD2-CD2 4.36Å; Y278-Y288 AromaticContact CD2-CE1 3.68Å; Y278-Y288 HydrophobicContact CD2-CE1 3.68Å; Y278-Y288 AromaticContact CD2-CG 3.81Å; Y278-Y288 HydrophobicContact CD2-CG 3.81Å; Y278-Y288 AromaticContact CE2-CD1 3.88Å; Y278-Y288 HydrophobicContact CE2-CD1 3.88Å; Y278-Y288 HydrophobicContact CE2-CD2 4.44Å; Y278-Y288 AromaticContact CE2-CG 3.82Å; Y278-Y288 HydrophobicContact CE2-CG 3.82Å; Y278-Y288 HydrophobicContact CG-CD1 4.44Å; Y278-Y288 HydrophobicContact CG-CE1 4.47Å; Y284-Y288 HydrophobicContact CE1-CD2 4.43Å; Y284-Y288 VanDerWaalsContact O-CB 3.27Å; Y284-Y288 WeakPolarHBondContact O-CB 3.2Å; Y284-Y288 PolarHBondContact O-N 3.25Å; L285-Y288 WeakPolarHBondContact O-CB 3.2Å; L285-Y288 PolarHBondContact O-N 3.04Å; I286-Y288 VanDerWaalsContact C-N 3.3Å; I286-Y288 PolarHBondContact O-N 3.47Å; Y288-K290 PolarHBondContact O-N 2.89Å; Y288-N291 PolarHBondContact O-N 2.84Å; Y288-L292 HydrophobicContact CD1-CD1 4.38Å; Y288-L292 HydrophobicContact CE1-CD1 3.81Å; Y288-L292 HydrophobicContact CE2-CD1 4.08Å; Y288-L292 PolarHBondContact O-N 2.99Å; Y288-L321 HydrophobicContact CE1-CD2 3.77Å; Y288-L321 PolarHBondContact OH-O 3.44Å; Y288-A324 HydrophobicContact CE2-CB 4.36Å; Y288-L329 HydrophobicContact CE2-CB 4.26Å
289	L	90.1	Very high	89.9	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-64.4	-41.4	177.7	-65.5	174.9	0	0	0	111.6	L285 I286 N291 L292 G293 L294 F305 I306 L321	L285-L289 HydrophobicContact CD1-CD1 4.08Å; L285-L289 HydrophobicContact CD1-CG 4.24Å; L285-L289 HydrophobicContact CG-CD1 4.07Å; L285-L289 WeakPolarHBondContact O-CG 3.42Å; L285-L289 PolarHBondContact O-N 2.84Å; I286-L289 PolarHBondContact O-N 3.46Å; L289-N291 VanDerWaalsContact C-N 3.3Å; L289-N291 PolarHBondContact O-N 3.22Å; L289-L292 CarbonylContact O-C 3.54Å; L289-L292 PolarHBondContact O-N 3.28Å; L289-G293 PolarHBondContact O-N 3.17Å; L289-L294 CarbonylContact C-O 3.59Å; L289-L294 HydrophobicContact CB-CB 4Å; L289-L294 HydrophobicContact CD2-CD1 3.99Å; L289-L294 WeakPolarHBondContact O-CA 3.32Å; L289-L294 WeakPolarHBondContact O-CB 3.39Å; L289-L294 PolarHBondContact O-N 3.36Å; L289-F305 HydrophobicContact CD1-CD1 3.82Å; L289-F305 HydrophobicContact CD1-CE1 3.98Å; L289-I306 HydrophobicContact CD1-CD1 4.29Å; L289-I306 HydrophobicContact CD2-CD1 3.68Å; L289-L321 HydrophobicContact CD2-CD2 4.35Å
290	K	90.3	Very high	89.8	Confident	127 Å²	127	64.9 Å²	64.9	55%	0.552	35%	0.351	S	S	*	.	H	α-helix	trans	-59.7	-39.1	177	-172	178.4	178.9	-179.4	0	112.5	I286 P287 Y288 L292 G293 L294	I286-K290 WeakPolarHBondContact O-CB 3.5Å; I286-K290 PolarHBondContact O-N 3.22Å; P287-K290 PolarHBondContact O-N 3.38Å; Y288-K290 PolarHBondContact O-N 2.89Å; K290-L292 PolarHBondContact O-N 2.81Å; K290-G293 PolarHBondContact O-N 3.43Å; K290-G293 VanDerWaalsContact O-N 3.08Å; K290-L294 WeakPolarHBondContact CA-O 3.21Å; K290-L294 PolarHBondContact N-O 3.45Å
291	N	88.7	Confident	89.8	Confident	111 Å²	111	65.6 Å²	65.6	59%	0.594	35%	0.353	S	S	*	.	H	α-helix	trans	-64.3	-24.7	176.9	-70.6	-18.4	0	0	0	113	P287 Y288 L289 G293	P287-N291 VanDerWaalsContact O-CG 3.26Å; P287-N291 PolarHBondContact O-N 2.95Å; P287-N291 PolarHBondContact O-ND2 2.83Å; Y288-N291 PolarHBondContact O-N 2.84Å; L289-N291 VanDerWaalsContact C-N 3.3Å; L289-N291 PolarHBondContact O-N 3.22Å; N291-G293 VanDerWaalsContact C-N 3.33Å
292	L	86.9	Confident	89.8	Confident	49 Å²	49	64.5 Å²	64.5	26%	0.257	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	9.4	177.1	-62.8	172.8	0	0	0	112.6	Y288 L289 K290 L294 V320 L321 A324 L329	Y288-L292 HydrophobicContact CD1-CD1 4.38Å; Y288-L292 HydrophobicContact CE1-CD1 3.81Å; Y288-L292 HydrophobicContact CE2-CD1 4.08Å; Y288-L292 PolarHBondContact O-N 2.99Å; L289-L292 CarbonylContact O-C 3.54Å; L289-L292 PolarHBondContact O-N 3.28Å; K290-L292 PolarHBondContact O-N 2.81Å; L292-L294 VanDerWaalsContact C-N 3.31Å; L292-V320 HydrophobicContact CD2-CG1 4.4Å; L292-L321 HydrophobicContact CD1-CD2 3.39Å; L292-L321 HydrophobicContact CD1-CG 4.38Å; L292-A324 HydrophobicContact CD1-CB 4.25Å; L292-A324 HydrophobicContact CD2-CB 4Å; L292-L329 HydrophobicContact CD2-CD2 4.45Å
293	G	87.3	Confident	89.9	Confident	55 Å²	55	63.8 Å²	63.8	57%	0.567	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	8.4	-178.8	0	0	0	0	0	114.5	L289 K290 N291	L289-G293 PolarHBondContact O-N 3.17Å; K290-G293 PolarHBondContact O-N 3.43Å; K290-G293 VanDerWaalsContact O-N 3.08Å; N291-G293 VanDerWaalsContact C-N 3.33Å
294	L	88.4	Confident	89.9	Confident	20 Å²	20	60.9 Å²	60.9	11%	0.105	32%	0.321	C	S	.	.			trans	-94.9	111	177.9	-71.3	169.1	0	0	0	110.5	L289 K290 L292 F305 V309 L317	L289-L294 CarbonylContact C-O 3.59Å; L289-L294 HydrophobicContact CB-CB 4Å; L289-L294 HydrophobicContact CD2-CD1 3.99Å; L289-L294 WeakPolarHBondContact O-CA 3.32Å; L289-L294 WeakPolarHBondContact O-CB 3.39Å; L289-L294 PolarHBondContact O-N 3.36Å; K290-L294 WeakPolarHBondContact CA-O 3.21Å; K290-L294 PolarHBondContact N-O 3.45Å; L292-L294 VanDerWaalsContact C-N 3.31Å; L294-F305 HydrophobicContact CB-CE1 4.29Å; L294-F305 HydrophobicContact CB-CZ 4.41Å; L294-V309 HydrophobicContact CD1-CG1 3.81Å; L294-V309 HydrophobicContact CD1-CG2 4.33Å; L294-V309 HydrophobicContact CD2-CG2 4.26Å; L294-L317 HydrophobicContact CD1-CD1 4.27Å; L294-L317 HydrophobicContact CD2-CD1 3.65Å; L294-L317 HydrophobicContact CG-CD1 4.28Å
295	H	89.6	Confident	90	Very high	131 Å²	131	58.9 Å²	58.9	61%	0.606	31%	0.314	S	S	*	.			trans	-99.5	110.4	178.9	-71.6	-88.8	0	0	0	110.8	P297	H295-P297 WeakPolarHBondContact O-CD 3.28Å
296	C	88.8	Confident	90	Very high	30 Å²	30	58.9 Å²	58.9	20%	0.203	31%	0.313	C	S	.	.			trans	-73.3	123.6	172.7	-171.7	0	0	0	0	110	F305	C296-F305 HydrophobicContact CB-CD1 3.71Å; C296-F305 HydrophobicContact CB-CE1 3.89Å; C296-F305 HydrophobicContact CB-CG 4.16Å; C296-F305 HydrophobicContact CB-CZ 4.48Å
297	P	90	Very high	90	Very high	66 Å²	66	55.5 Å²	55.5	43%	0.429	30%	0.296	S	S	.	.			trans	-62.3	150.5	172.4	-21	33	0	0	0	111.9	H295 Y299 H300	H295-P297 WeakPolarHBondContact O-CD 3.28Å; P297-Y299 VanDerWaalsContact C-N 3.3Å; P297-Y299 PolarHBondContact O-N 3.11Å; P297-H300 HydrophobicContact CB-CB 4.13Å; P297-H300 HydrophobicContact CG-CB 4.33Å; P297-H300 PolarHBondContact O-N 2.88Å
298	T	86.9	Confident	90	Very high	129 Å²	129	54.9 Å²	54.9	79%	0.791	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-26.5	-178.4	47.5	0	0	0	0	114.1	H300	T298-H300 VanDerWaalsContact C-N 3.33Å
299	Y	88.2	Confident	90	Very high	229 Å²	229	54.9 Å²	54.9	90%	0.898	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-0.2	179.9	-52.3	-74.1	0	0	0	112.9	P297	P297-Y299 VanDerWaalsContact C-N 3.3Å; P297-Y299 PolarHBondContact O-N 3.11Å
300	H	91	Very high	90	Very high	54 Å²	54	54.9 Å²	54.9	25%	0.25	29%	0.289	C	S	.	.	S	Bend	trans	-105.4	142.8	-177.9	-162.1	-78.3	0	0	0	110	P297 T298 P302 F305 E308	P297-H300 HydrophobicContact CB-CB 4.13Å; P297-H300 HydrophobicContact CG-CB 4.33Å; P297-H300 PolarHBondContact O-N 2.88Å; T298-H300 VanDerWaalsContact C-N 3.33Å; H300-P302 WeakPolarHBondContact O-CD 3.29Å; H300-F305 PolarHBondContact CE1-N 3.32Å; H300-E308 IonicContact CE1-OE1 3.5Å; H300-E308 PolarHBondContact CE1-OE1 3.32Å; H300-E308 IonicContact CE1-OE2 3.55Å; H300-E308 IonicContact NE2-OE1 3.42Å; H300-E308 PolarHBondContact NE2-OE1 3.21Å; H300-E308 IonicContact NE2-OE2 2.62Å; H300-E308 PolarHBondContact NE2-OE2 2.98Å
301	N	91.8	Very high	90	Very high	22 Å²	22	52 Å²	52	12%	0.118	29%	0.285	C	S	.	.			trans	-74.6	122.2	-180	176.3	9.3	0	0	0	109.3	P257 A303 D304 F305	P257-N301 PolarHBondContact O-ND2 3.21Å; N301-A303 PolarHBondContact O-N 3.49Å; N301-A303 PolarHBondContact OD1-N 3.19Å; N301-D304 HydrophobicContact CB-CB 4.15Å; N301-D304 VanDerWaalsContact CB-OD2 3.26Å; N301-D304 WeakPolarHBondContact CB-OD2 3.37Å; N301-D304 PolarHBondContact ND2-OD2 3.16Å; N301-D304 PolarHBondContact O-N 3.07Å; N301-F305 PolarHBondContact O-N 2.92Å
302	P	92.1	Very high	89.9	Confident	26 Å²	26	48.1 Å²	48.1	17%	0.169	27%	0.271	C	S	.	.	H	α-helix	trans	-55.7	-30.7	-178.8	-26	34.3	0	0	0	113.8	F262 L285 I286 H300 I306	F262-P302 HydrophobicContact CE1-CB 3.94Å; F262-P302 HydrophobicContact CZ-CB 4.4Å; L285-P302 HydrophobicContact CD2-CB 4.41Å; I286-P302 HydrophobicContact CD1-CB 4.45Å; I286-P302 HydrophobicContact CD1-CG 3.98Å; I286-P302 HydrophobicContact CG1-CB 4.35Å; I286-P302 HydrophobicContact CG1-CG 4.4Å; H300-P302 WeakPolarHBondContact O-CD 3.29Å; P302-I306 WeakPolarHBondContact O-CG2 3.41Å; P302-I306 PolarHBondContact O-N 2.77Å
303	A	91.4	Very high	89.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-68	-39.2	176.7	0	0	0	0	0	112.5	P257 F262 N301 I306 I307	P257-A303 HydrophobicContact CG-CB 3.83Å; F262-A303 HydrophobicContact CB-CB 4.32Å; F262-A303 HydrophobicContact CD2-CB 3.48Å; F262-A303 VanDerWaalsContact CD2-CB 3.48Å; F262-A303 HydrophobicContact CE2-CB 3.81Å; F262-A303 HydrophobicContact CG-CB 3.88Å; F262-A303 HydrophobicContact CZ-CB 4.49Å; N301-A303 PolarHBondContact O-N 3.49Å; N301-A303 PolarHBondContact OD1-N 3.19Å; A303-I306 VanDerWaalsContact O-CG2 3.28Å; A303-I306 WeakPolarHBondContact O-CG2 3.48Å; A303-I307 VanDerWaalsContact O-CD1 3.29Å; A303-I307 WeakPolarHBondContact O-CD1 3.42Å; A303-I307 WeakPolarHBondContact O-CG1 3.37Å; A303-I307 PolarHBondContact O-N 2.78Å
304	D	91.8	Very high	89.5	Confident	42 Å²	42	54.8 Å²	54.8	23%	0.225	28%	0.282	C	S	.	.	H	α-helix	trans	-74	-41.9	177.8	-63.8	-35.8	0	0	0	109.5	N301 I306 I307 E308	N301-D304 HydrophobicContact CB-CB 4.15Å; N301-D304 VanDerWaalsContact CB-OD2 3.26Å; N301-D304 WeakPolarHBondContact CB-OD2 3.37Å; N301-D304 PolarHBondContact ND2-OD2 3.16Å; N301-D304 PolarHBondContact O-N 3.07Å; D304-I306 PolarHBondContact O-N 2.98Å; D304-I307 WeakPolarHBondContact O-CA 3.14Å; D304-I307 PolarHBondContact O-N 3.1Å; D304-E308 WeakPolarHBondContact O-CG 3.3Å; D304-E308 PolarHBondContact O-N 3Å
305	F	92.4	Very high	89.3	Confident	3 Å²	3	55.5 Å²	55.5	1%	0.013	30%	0.295	C	S	.	.	H	α-helix	trans	-56.4	-47.4	-179.8	-176.6	-112	0	0	0	112	L289 L294 C296 H300 N301 I307 E308 V309 Y314	L289-F305 HydrophobicContact CD1-CD1 3.82Å; L289-F305 HydrophobicContact CD1-CE1 3.98Å; L294-F305 HydrophobicContact CB-CE1 4.29Å; L294-F305 HydrophobicContact CB-CZ 4.41Å; C296-F305 HydrophobicContact CB-CD1 3.71Å; C296-F305 HydrophobicContact CB-CE1 3.89Å; C296-F305 HydrophobicContact CB-CG 4.16Å; C296-F305 HydrophobicContact CB-CZ 4.48Å; H300-F305 PolarHBondContact CE1-N 3.32Å; N301-F305 PolarHBondContact O-N 2.92Å; F305-I307 VanDerWaalsContact C-N 3.29Å; F305-I307 PolarHBondContact O-N 3.39Å; F305-E308 PolarHBondContact O-N 3.42Å; F305-V309 HydrophobicContact CE1-CG2 4.21Å; F305-V309 HydrophobicContact CE2-CG2 4.38Å; F305-V309 HydrophobicContact CZ-CG2 4.14Å; F305-V309 VanDerWaalsContact O-CG2 3.29Å; F305-V309 WeakPolarHBondContact O-CG2 3.2Å; F305-V309 PolarHBondContact O-N 3.43Å; F305-Y314 HydrophobicContact CD2-CE2 4.27Å; F305-Y314 HydrophobicContact CE2-CE1 4.04Å; F305-Y314 HydrophobicContact CE2-CE2 4.08Å; F305-Y314 AromaticContact CE2-CZ 3.71Å
306	I	91.3	Very high	89	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-68.3	-28.5	178.6	-170.3	51.5	0	0	0	112.9	I270 I277 L285 L289 P302 A303 D304 A310	I270-I306 HydrophobicContact CD1-CB 4.3Å; I270-I306 HydrophobicContact CD1-CG1 3.59Å; I270-I306 HydrophobicContact CD1-CG2 3.77Å; I270-I306 HydrophobicContact CG2-CG1 4.32Å; I277-I306 HydrophobicContact CD1-CD1 4.13Å; I277-I306 HydrophobicContact CD1-CG1 4.35Å; L285-I306 HydrophobicContact CD1-CG1 4.3Å; L285-I306 HydrophobicContact CD2-CB 4.47Å; L285-I306 HydrophobicContact CD2-CG2 4.24Å; L289-I306 HydrophobicContact CD1-CD1 4.29Å; L289-I306 HydrophobicContact CD2-CD1 3.68Å; P302-I306 WeakPolarHBondContact O-CG2 3.41Å; P302-I306 PolarHBondContact O-N 2.77Å; A303-I306 VanDerWaalsContact O-CG2 3.28Å; A303-I306 WeakPolarHBondContact O-CG2 3.48Å; D304-I306 PolarHBondContact O-N 2.98Å; I306-A310 VanDerWaalsContact O-CB 3.24Å; I306-A310 WeakPolarHBondContact O-CB 3.28Å; I306-A310 PolarHBondContact O-N 3.34Å
307	I	91.5	Very high	88.9	Confident	13 Å²	13	55.8 Å²	55.8	7%	0.067	30%	0.299	C	S	.	.	H	α-helix	trans	-73.6	-40.1	175.4	-67.3	168.5	0	0	0	110.6	Q256 A303 D304 F305 A310 S311	Q256-I307 HydrophobicContact CG-CD1 3.96Å; A303-I307 VanDerWaalsContact O-CD1 3.29Å; A303-I307 WeakPolarHBondContact O-CD1 3.42Å; A303-I307 WeakPolarHBondContact O-CG1 3.37Å; A303-I307 PolarHBondContact O-N 2.78Å; D304-I307 WeakPolarHBondContact O-CA 3.14Å; D304-I307 PolarHBondContact O-N 3.1Å; F305-I307 VanDerWaalsContact C-N 3.29Å; F305-I307 PolarHBondContact O-N 3.39Å; I307-A310 PolarHBondContact O-N 3Å; I307-S311 WeakPolarHBondContact O-CB 3.31Å; I307-S311 PolarHBondContact O-N 3.43Å; I307-S311 PolarHBondContact O-OG 2.99Å
308	E	90.9	Very high	88.7	Confident	43 Å²	43	53.1 Å²	53.1	20%	0.201	28%	0.281	C	S	.	.	H	α-helix	trans	-62.3	-45.6	174.2	-67.8	171.6	-172.3	0	0	111	H300 D304 F305 A310 S311 G312 E313 Y314	H300-E308 IonicContact CE1-OE1 3.5Å; H300-E308 PolarHBondContact CE1-OE1 3.32Å; H300-E308 IonicContact CE1-OE2 3.55Å; H300-E308 IonicContact NE2-OE1 3.42Å; H300-E308 PolarHBondContact NE2-OE1 3.21Å; H300-E308 IonicContact NE2-OE2 2.62Å; H300-E308 PolarHBondContact NE2-OE2 2.98Å; D304-E308 WeakPolarHBondContact O-CG 3.3Å; D304-E308 PolarHBondContact O-N 3Å; F305-E308 PolarHBondContact O-N 3.42Å; E308-A310 PolarHBondContact O-N 2.53Å; E308-S311 PolarHBondContact O-N 2.83Å; E308-S311 VanDerWaalsContact O-N 3.14Å; E308-G312 PolarHBondContact O-N 3.47Å; E308-G312 VanDerWaalsContact O-N 3.13Å; E308-E313 HydrophobicContact CB-CB 4.41Å; E308-E313 WeakPolarHBondContact CG-OE2 3.32Å; E308-E313 PolarHBondContact O-N 3.46Å; E308-E313 VanDerWaalsContact O-N 3.17Å; E308-Y314 HydrophobicContact CB-CD2 4.23Å; E308-Y314 HydrophobicContact CB-CE2 3.69Å; E308-Y314 WeakPolarHBondContact OE2-CE2 3.29Å; E308-Y314 PolarHBondContact OE2-OH 2.85Å
309	V	90.9	Very high	88.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.2	-46.4	173.4	172.3	0	0	0	0	110.8	L294 F305 S311 G312 Y314 L321	L294-V309 HydrophobicContact CD1-CG1 3.81Å; L294-V309 HydrophobicContact CD1-CG2 4.33Å; L294-V309 HydrophobicContact CD2-CG2 4.26Å; F305-V309 HydrophobicContact CE1-CG2 4.21Å; F305-V309 HydrophobicContact CE2-CG2 4.38Å; F305-V309 HydrophobicContact CZ-CG2 4.14Å; F305-V309 VanDerWaalsContact O-CG2 3.29Å; F305-V309 WeakPolarHBondContact O-CG2 3.2Å; F305-V309 PolarHBondContact O-N 3.43Å; V309-S311 PolarHBondContact O-N 3.38Å; V309-G312 PolarHBondContact O-N 2.95Å; V309-G312 VanDerWaalsContact O-N 3.14Å; V309-Y314 HydrophobicContact CG2-CD2 3.7Å; V309-Y314 HydrophobicContact CG2-CE2 4.26Å; V309-Y314 HydrophobicContact CG2-CG 4.2Å; V309-L321 HydrophobicContact CG1-CD1 3.81Å
310	A	89.7	Confident	88.7	Confident	3 Å²	3	43 Å²	43	3%	0.025	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-29.6	177.6	0	0	0	0	0	113	P100 S272 I277 I306 I307 E308 G312 N318	P100-A310 HydrophobicContact CG-CB 4.22Å; S272-A310 PolarHBondContact OG-O 2.99Å; I277-A310 HydrophobicContact CD1-CB 3.62Å; I306-A310 VanDerWaalsContact O-CB 3.24Å; I306-A310 WeakPolarHBondContact O-CB 3.28Å; I306-A310 PolarHBondContact O-N 3.34Å; I307-A310 PolarHBondContact O-N 3Å; E308-A310 PolarHBondContact O-N 2.53Å; A310-G312 VanDerWaalsContact C-N 3.31Å; A310-N318 PolarHBondContact O-ND2 2.95Å; A310-N318 PolarHBondContact O-OD1 3.04Å
311	S	89.4	Confident	88.5	Confident	66 Å²	66	40.5 Å²	40.5	46%	0.462	23%	0.232	S	C	.	.	H	α-helix	trans	-80.6	-11.5	178.7	-56.2	0	0	0	0	113	I307 E308 V309	I307-S311 WeakPolarHBondContact O-CB 3.31Å; I307-S311 PolarHBondContact O-N 3.43Å; I307-S311 PolarHBondContact O-OG 2.99Å; E308-S311 PolarHBondContact O-N 2.83Å; E308-S311 VanDerWaalsContact O-N 3.14Å; V309-S311 PolarHBondContact O-N 3.38Å
312	G	87	Confident	88.2	Confident	30 Å²	30	41.2 Å²	41.2	31%	0.309	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	13.4	176.3	0	0	0	0	0	114.9	E308 V309 A310 Y314 G315	E308-G312 PolarHBondContact O-N 3.47Å; E308-G312 VanDerWaalsContact O-N 3.13Å; V309-G312 PolarHBondContact O-N 2.95Å; V309-G312 VanDerWaalsContact O-N 3.14Å; A310-G312 VanDerWaalsContact C-N 3.31Å; G312-Y314 PolarHBondContact O-N 2.92Å; G312-G315 PolarHBondContact O-N 3.3Å
313	E	84.8	Confident	87.9	Confident	137 Å²	137	46.7 Å²	46.7	64%	0.64	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-27.6	178.8	-66.4	-174.4	-175.8	0	0	112.5	E308	E308-E313 HydrophobicContact CB-CB 4.41Å; E308-E313 WeakPolarHBondContact CG-OE2 3.32Å; E308-E313 PolarHBondContact O-N 3.46Å; E308-E313 VanDerWaalsContact O-N 3.17Å
314	Y	82.1	Confident	87.6	Confident	106 Å²	106	47 Å²	47	42%	0.416	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	19.4	175.4	-61.5	-94.1	0	0	0	112.5	F305 E308 V309 G312	F305-Y314 HydrophobicContact CD2-CE2 4.27Å; F305-Y314 HydrophobicContact CE2-CE1 4.04Å; F305-Y314 HydrophobicContact CE2-CE2 4.08Å; F305-Y314 AromaticContact CE2-CZ 3.71Å; E308-Y314 HydrophobicContact CB-CD2 4.23Å; E308-Y314 HydrophobicContact CB-CE2 3.69Å; E308-Y314 WeakPolarHBondContact OE2-CE2 3.29Å; E308-Y314 PolarHBondContact OE2-OH 2.85Å; V309-Y314 HydrophobicContact CG2-CD2 3.7Å; V309-Y314 HydrophobicContact CG2-CE2 4.26Å; V309-Y314 HydrophobicContact CG2-CG 4.2Å; G312-Y314 PolarHBondContact O-N 2.92Å
315	G	84.5	Confident	87.3	Confident	36 Å²	36	45.6 Å²	45.6	37%	0.371	25%	0.253	S	S	.	.			trans	92	170.3	-173.2	0	0	0	0	0	113.6	G312 L317	G312-G315 PolarHBondContact O-N 3.3Å; G315-L317 VanDerWaalsContact C-N 3.28Å; G315-L317 PolarHBondContact O-N 3.04Å
316	D	83.3	Confident	86.7	Confident	111 Å²	111	51.7 Å²	51.7	59%	0.594	28%	0.282	S	S	*	.	S	Bend	trans	-79.2	76.7	-179.4	-167.8	23	0	0	0	111.8	N318 P319	D316-N318 VanDerWaalsContact C-N 3.35Å; D316-N318 PolarHBondContact OD1-ND2 3.23Å; D316-P319 WeakPolarHBondContact O-CD 3.42Å
317	L	86.2	Confident	85.9	Confident	56 Å²	56	54.7 Å²	54.7	29%	0.293	31%	0.313	S	S	.	.			trans	-91.3	-0.5	177.2	-62.2	172.2	0	0	0	112.6	L294 G315 P319 V320 L321	L294-L317 HydrophobicContact CD1-CD1 4.27Å; L294-L317 HydrophobicContact CD2-CD1 3.65Å; L294-L317 HydrophobicContact CG-CD1 4.28Å; G315-L317 VanDerWaalsContact C-N 3.28Å; G315-L317 PolarHBondContact O-N 3.04Å; L317-P319 VanDerWaalsContact C-CD 3.45Å; L317-V320 PolarHBondContact O-N 2.79Å; L317-L321 WeakPolarHBondContact O-CG 3.22Å; L317-L321 PolarHBondContact O-N 3.32Å
318	N	85.6	Confident	85.1	Confident	10 Å²	10	55 Å²	55	5%	0.053	32%	0.319	C	S	.	.	H	α-helix	trans	-56.4	-41.1	178.7	-68	-56.1	0	0	0	113.4	S272 A310 D316 V320 L321 F322	S272-N318 PolarHBondContact OG-OD1 2.92Å; A310-N318 PolarHBondContact O-ND2 2.95Å; A310-N318 PolarHBondContact O-OD1 3.04Å; D316-N318 VanDerWaalsContact C-N 3.35Å; D316-N318 PolarHBondContact OD1-ND2 3.23Å; N318-V320 VanDerWaalsContact C-N 3.35Å; N318-V320 PolarHBondContact O-N 3.03Å; N318-L321 PolarHBondContact O-N 2.79Å; N318-F322 WeakPolarHBondContact O-CB 3.42Å; N318-F322 PolarHBondContact O-N 3.03Å
319	P	86.9	Confident	84	Confident	71 Å²	71	55.9 Å²	55.9	46%	0.461	33%	0.325	S	S	.	.	H	α-helix	trans	-62.1	-41.6	177.8	-23	34.6	0	0	0	112.5	D316 L317 F322 E323	D316-P319 WeakPolarHBondContact O-CD 3.42Å; L317-P319 VanDerWaalsContact C-CD 3.45Å; P319-F322 PolarHBondContact O-N 3.23Å; P319-E323 WeakPolarHBondContact O-CB 3.09Å; P319-E323 PolarHBondContact O-N 3.03Å
320	V	87.6	Confident	82.7	Confident	74 Å²	74	56.4 Å²	56.4	45%	0.448	33%	0.328	S	S	.	.	H	α-helix	trans	-66.2	-44.3	179.6	-178.8	0	0	0	0	110.7	L292 L317 N318 F322 E323 A324	L292-V320 HydrophobicContact CD2-CG1 4.4Å; L317-V320 PolarHBondContact O-N 2.79Å; N318-V320 VanDerWaalsContact C-N 3.35Å; N318-V320 PolarHBondContact O-N 3.03Å; V320-F322 VanDerWaalsContact C-N 3.33Å; V320-F322 PolarHBondContact O-N 3.06Å; V320-E323 PolarHBondContact O-N 2.82Å; V320-A324 WeakPolarHBondContact O-CB 3.1Å; V320-A324 PolarHBondContact O-N 2.89Å
321	L	86.3	Confident	81.3	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-62.9	-40.4	176.2	-73.7	163	0	0	0	111.9	I277 Y288 L289 L292 V309 L317 N318 A324 V325	I277-L321 HydrophobicContact CB-CB 4.06Å; I277-L321 HydrophobicContact CG2-CB 4.24Å; Y288-L321 HydrophobicContact CE1-CD2 3.77Å; Y288-L321 PolarHBondContact OH-O 3.44Å; L289-L321 HydrophobicContact CD2-CD2 4.35Å; L292-L321 HydrophobicContact CD1-CD2 3.39Å; L292-L321 HydrophobicContact CD1-CG 4.38Å; V309-L321 HydrophobicContact CG1-CD1 3.81Å; L317-L321 WeakPolarHBondContact O-CG 3.22Å; L317-L321 PolarHBondContact O-N 3.32Å; N318-L321 PolarHBondContact O-N 2.79Å; L321-A324 PolarHBondContact O-N 3.27Å; L321-V325 WeakPolarHBondContact O-CG2 3.49Å; L321-V325 PolarHBondContact O-N 3.37Å; L321-V325 VanDerWaalsContact O-N 3.08Å
322	F	87	Confident	79.6	Confident	37 Å²	37	61.7 Å²	61.7	16%	0.162	35%	0.352	C	S	.	.	H	α-helix	trans	-65.2	-45.6	176.7	177.7	-106.6	0	0	0	112	Q275 N318 P319 V320 A324 V325 Q326	Q275-F322 HydrophobicContact CB-CD2 3.65Å; Q275-F322 HydrophobicContact CB-CE2 3.84Å; Q275-F322 HydrophobicContact CG-CD2 3.92Å; Q275-F322 HydrophobicContact CG-CE2 3.7Å; Q275-F322 HydrophobicContact CG-CZ 4.3Å; Q275-F322 VanDerWaalsContact NE2-CZ 3.29Å; N318-F322 WeakPolarHBondContact O-CB 3.42Å; N318-F322 PolarHBondContact O-N 3.03Å; P319-F322 PolarHBondContact O-N 3.23Å; V320-F322 VanDerWaalsContact C-N 3.33Å; V320-F322 PolarHBondContact O-N 3.06Å; F322-A324 VanDerWaalsContact C-N 3.3Å; F322-A324 PolarHBondContact O-N 3Å; F322-V325 PolarHBondContact O-N 2.81Å; F322-Q326 HydrophobicContact CD1-CG 4.48Å; F322-Q326 HydrophobicContact CE1-CG 4.06Å; F322-Q326 HydrophobicContact CE2-CG 4.25Å; F322-Q326 VanDerWaalsContact CZ-CD 3.45Å; F322-Q326 HydrophobicContact CZ-CG 3.96Å; F322-Q326 PolarHBondContact O-N 2.97Å
323	E	85.9	Confident	77.9	Confident	140 Å²	140	61.7 Å²	61.7	65%	0.654	34%	0.344	S	S	*	.	H	α-helix	trans	-62.7	-38.2	176.3	-170.2	172.6	-168.9	0	0	111.2	P319 V320 V325 Q326 G327	P319-E323 WeakPolarHBondContact O-CB 3.09Å; P319-E323 PolarHBondContact O-N 3.03Å; V320-E323 PolarHBondContact O-N 2.82Å; E323-V325 PolarHBondContact O-N 2.85Å; E323-Q326 PolarHBondContact O-N 3.12Å; E323-G327 PolarHBondContact O-N 2.92Å
324	A	84.8	Confident	76.2	Confident	8 Å²	8	57.5 Å²	57.5	7%	0.066	34%	0.338	C	S	.	.	H	α-helix	trans	-62.4	-40.4	174.7	0	0	0	0	0	112.7	Y288 L292 V320 L321 F322 G328 L329	Y288-A324 HydrophobicContact CE2-CB 4.36Å; L292-A324 HydrophobicContact CD1-CB 4.25Å; L292-A324 HydrophobicContact CD2-CB 4Å; V320-A324 WeakPolarHBondContact O-CB 3.1Å; V320-A324 PolarHBondContact O-N 2.89Å; L321-A324 PolarHBondContact O-N 3.27Å; F322-A324 VanDerWaalsContact C-N 3.3Å; F322-A324 PolarHBondContact O-N 3Å; A324-G328 PolarHBondContact O-N 3.41Å; A324-L329 HydrophobicContact CB-CD1 4.37Å; A324-L329 HydrophobicContact CB-CD2 4.31Å; A324-L329 WeakPolarHBondContact O-CB 3.43Å; A324-L329 PolarHBondContact O-N 2.87Å
325	V	85	Confident	74.5	Confident	12 Å²	12	58.9 Å²	58.9	7%	0.073	35%	0.346	C	S	.	.	H	α-helix	trans	-66.8	-42.8	175	174	0	0	0	0	111.4	C276 I277 K279 L321 F322 E323 G328	C276-V325 HydrophobicContact CB-CG1 4.46Å; I277-V325 VanDerWaalsContact C-CG2 3.42Å; I277-V325 VanDerWaalsContact O-CG2 3.23Å; I277-V325 WeakPolarHBondContact O-CG2 3.46Å; K279-V325 HydrophobicContact CD-CG1 4.42Å; L321-V325 WeakPolarHBondContact O-CG2 3.49Å; L321-V325 PolarHBondContact O-N 3.37Å; L321-V325 VanDerWaalsContact O-N 3.08Å; F322-V325 PolarHBondContact O-N 2.81Å; E323-V325 PolarHBondContact O-N 2.85Å; V325-G328 PolarHBondContact O-N 3.14Å
326	Q	79.5	Confident	72.6	Confident	130 Å²	130	64.6 Å²	64.6	61%	0.607	36%	0.361	S	S	*	.	H	α-helix	trans	-68.5	-40.1	177.9	-74	-161.1	-26.4	0	0	112.6	F322 E323 G328	F322-Q326 HydrophobicContact CD1-CG 4.48Å; F322-Q326 HydrophobicContact CE1-CG 4.06Å; F322-Q326 HydrophobicContact CE2-CG 4.25Å; F322-Q326 VanDerWaalsContact CZ-CD 3.45Å; F322-Q326 HydrophobicContact CZ-CG 3.96Å; F322-Q326 PolarHBondContact O-N 2.97Å; E323-Q326 PolarHBondContact O-N 3.12Å; Q326-G328 PolarHBondContact O-N 3.44Å; Q326-G328 VanDerWaalsContact O-N 3.13Å
327	G	74.8	Confident	70.6	Confident	63 Å²	63	64.5 Å²	64.5	65%	0.649	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-2.1	174.4	0	0	0	0	0	113.8	E323	E323-G327 PolarHBondContact O-N 2.92Å
328	G	74.3	Confident	68.2	Low	19 Å²	19	65.1 Å²	65.1	20%	0.196	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	15.3	170.4	0	0	0	0	0	114.8	A324 V325 Q326 C330 S331 E332	A324-G328 PolarHBondContact O-N 3.41Å; V325-G328 PolarHBondContact O-N 3.14Å; Q326-G328 PolarHBondContact O-N 3.44Å; Q326-G328 VanDerWaalsContact O-N 3.13Å; G328-C330 PolarHBondContact O-N 2.88Å; G328-S331 WeakPolarHBondContact O-CA 3.26Å; G328-S331 WeakPolarHBondContact O-CB 3.49Å; G328-S331 PolarHBondContact O-N 3.35Å; G328-E332 PolarHBondContact O-N 3.2Å
329	L	69.2	Low	65.7	Low	63 Å²	63	74.5 Å²	74.5	33%	0.33	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-33.7	175.6	-87.6	80.1	0	0	0	111.7	Y284 Y288 L292 A324 S331	Y284-L329 PolarHBondContact OH-O 3.5Å; Y288-L329 HydrophobicContact CE2-CB 4.26Å; L292-L329 HydrophobicContact CD2-CD2 4.45Å; A324-L329 HydrophobicContact CB-CD1 4.37Å; A324-L329 HydrophobicContact CB-CD2 4.31Å; A324-L329 WeakPolarHBondContact O-CB 3.43Å; A324-L329 PolarHBondContact O-N 2.87Å; L329-S331 VanDerWaalsContact C-N 3.3Å; L329-S331 PolarHBondContact O-N 3.36Å
330	C	63.6	Low	63.2	Low	10 Å²	10	78.2 Å²	78.2	7%	0.068	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-17.1	173.9	-59.6	0	0	0	0	114.2	K279 G328	K279-C330 HydrophobicContact CG-CB 4.09Å; K279-C330 WeakPolarHBondContact O-CB 3.46Å; G328-C330 PolarHBondContact O-N 2.88Å
331	S	58.9	Low	60.7	Low	65 Å²	65	82.8 Å²	82.8	46%	0.455	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-17.2	-179	-56.2	0	0	0	0	113	G328 L329 E333 G334 K335	G328-S331 WeakPolarHBondContact O-CA 3.26Å; G328-S331 WeakPolarHBondContact O-CB 3.49Å; G328-S331 PolarHBondContact O-N 3.35Å; L329-S331 VanDerWaalsContact C-N 3.3Å; L329-S331 PolarHBondContact O-N 3.36Å; S331-E333 PolarHBondContact O-N 3.17Å; S331-G334 PolarHBondContact O-N 3.49Å; S331-G334 VanDerWaalsContact O-N 3.13Å; S331-K335 PolarHBondContact O-N 3.33Å
332	E	53.4	Low	57.9	Low	115 Å²	115	87.5 Å²	87.5	54%	0.537	47%	0.467	S	S	.	.	H	α-helix	trans	-57.7	-31.4	173.5	-72.3	-92.2	119.3	0	0	112	G328 K335 K336	G328-E332 PolarHBondContact O-N 3.2Å; E332-K335 PolarHBondContact O-N 3.2Å; E332-K336 PolarHBondContact O-N 2.92Å; E332-K336 VanDerWaalsContact O-N 3.11Å
333	E	51.3	Low	55.2	Low	31 Å²	31	93.6 Å²	93.6	15%	0.145	50%	0.501	C	S	.	.	H	α-helix	trans	-63.2	-40.6	175.4	-147	-169.6	165.2	0	0	112.2	T281 Y284 S331 K335 K336 N337	T281-E333 PolarHBondContact OG1-OE1 3.47Å; Y284-E333 WeakPolarHBondContact CB-OE1 3.44Å; Y284-E333 HydrophobicContact CD1-CB 4.43Å; Y284-E333 HydrophobicContact CD1-CG 4.11Å; Y284-E333 WeakPolarHBondContact CD1-OE2 3.26Å; Y284-E333 HydrophobicContact CD2-CG 3.89Å; Y284-E333 HydrophobicContact CE1-CB 4.34Å; Y284-E333 HydrophobicContact CE1-CG 4.41Å; Y284-E333 HydrophobicContact CE2-CG 4.2Å; Y284-E333 HydrophobicContact CG-CG 3.85Å; S331-E333 PolarHBondContact O-N 3.17Å; E333-K335 VanDerWaalsContact C-N 3.3Å; E333-K335 PolarHBondContact O-N 3.4Å; E333-K336 PolarHBondContact O-N 3.46Å; E333-N337 PolarHBondContact O-N 3.47Å; E333-N337 VanDerWaalsContact O-N 3.13Å
334	G	49.9	Very low	52.5	Low	49 Å²	49	90.7 Å²	90.7	51%	0.505	50%	0.501	S	S	.	.	H	α-helix	trans	-68.8	-26	176.1	0	0	0	0	0	113.6	S331 S338	S331-G334 PolarHBondContact O-N 3.49Å; S331-G334 VanDerWaalsContact O-N 3.13Å; G334-S338 WeakPolarHBondContact O-CB 3.34Å; G334-S338 PolarHBondContact O-N 3.49Å; G334-S338 PolarHBondContact O-OG 3.19Å
335	K	46	Very low	49.8	Very low	135 Å²	135	95.8 Å²	95.8	59%	0.587	54%	0.536	S	S	*	.	H	α-helix	trans	-80.8	-31.3	175.2	-73.8	-178	-179.3	173.2	0	113.1	S331 E332 E333 S338 R339	S331-K335 PolarHBondContact O-N 3.33Å; E332-K335 PolarHBondContact O-N 3.2Å; E333-K335 VanDerWaalsContact C-N 3.3Å; E333-K335 PolarHBondContact O-N 3.4Å; K335-S338 VanDerWaalsContact CA-OG 3.3Å; K335-S338 WeakPolarHBondContact CA-OG 3.32Å; K335-S338 PolarHBondContact O-OG 3.15Å; K335-S338 VanDerWaalsContact O-OG 3.13Å; K335-R339 WeakPolarHBondContact O-CG 3.28Å; K335-R339 PolarHBondContact O-N 2.89Å
336	K	44.5	Very low	46.8	Very low	156 Å²	156	100.9 Å²	100.9	68%	0.678	57%	0.571	S	S	*	*	H	α-helix	trans	-72.1	-44.4	172.8	-89.2	179.1	174.3	175.1	0	112	E332 E333 S338 R339	E332-K336 PolarHBondContact O-N 2.92Å; E332-K336 VanDerWaalsContact O-N 3.11Å; E333-K336 PolarHBondContact O-N 3.46Å; K336-S338 VanDerWaalsContact C-N 3.28Å; K336-S338 PolarHBondContact O-N 2.92Å; K336-R339 PolarHBondContact O-N 3.3Å
337	N	41.3	Very low	44.4	Very low	108 Å²	108	100 Å²	100	58%	0.578	58%	0.576	S	S	*	*	H	α-helix	trans	-70.3	-18.3	176.9	-88.1	-7.2	0	0	0	114.7	E333	E333-N337 PolarHBondContact O-N 3.47Å; E333-N337 VanDerWaalsContact O-N 3.13Å
338	S	36.3	Very low	42.3	Very low	70 Å²	70	102.5 Å²	102.5	49%	0.49	58%	0.584	S	S	.	*	H	α-helix	trans	-86.7	-17	173.5	47.1	0	0	0	0	113.6	G334 K335 K336	G334-S338 WeakPolarHBondContact O-CB 3.34Å; G334-S338 PolarHBondContact O-N 3.49Å; G334-S338 PolarHBondContact O-OG 3.19Å; K335-S338 VanDerWaalsContact CA-OG 3.3Å; K335-S338 WeakPolarHBondContact CA-OG 3.32Å; K335-S338 PolarHBondContact O-OG 3.15Å; K335-S338 VanDerWaalsContact O-OG 3.13Å; K336-S338 VanDerWaalsContact C-N 3.28Å; K336-S338 PolarHBondContact O-N 2.92Å
339	R	33.2	Very low	40	Very low	207 Å²	207	108.6 Å²	108.6	78%	0.781	61%	0.607	S	S	*	*	H	α-helix	trans	-78.1	-23.6	173.4	-77	178.9	176.8	176.8	-0.4	113.3	K335 K336	K335-R339 WeakPolarHBondContact O-CG 3.28Å; K335-R339 PolarHBondContact O-N 2.89Å; K336-R339 PolarHBondContact O-N 3.3Å
340	D	35	Very low	37.9	Very low	148 Å²	148	110.7 Å²	110.7	79%	0.791	63%	0.626	S	S	*	*	S	Bend	trans	-97.3	5	175.8	-76.8	-25	0	0	0	114.3
341	K	34.4	Very low	36.3	Very low	170 Å²	170	119.5 Å²	119.5	74%	0.739	66%	0.659	S	S	*	*			trans	-127.3	58.4	174.3	-78.9	-176.1	175.3	176.6	0	111.3	D343	K341-D343 VanDerWaalsContact C-N 3.26Å; K341-D343 PolarHBondContact O-N 2.87Å
342	S	27.4	Very low	34.8	Very low	102 Å²	102	121.2 Å²	121.2	71%	0.713	67%	0.671	S	S	*	*			trans	-91.2	33	169.2	61	0	0	0	0	113
343	D	29.9	Very low	33.6	Very low	165 Å²	165	122.6 Å²	122.6	88%	0.882	68%	0.682	S	S	*	*	S	Bend	trans	-158	68.3	168.4	-91	-32.3	0	0	0	110.4	K341	K341-D343 VanDerWaalsContact C-N 3.26Å; K341-D343 PolarHBondContact O-N 2.87Å
344	A	30.4	Very low	32.6	Very low	78 Å²	78	127.3 Å²	127.3	65%	0.645	71%	0.714	S	S	*	*			trans	-170.6	75.1	155.3	0	0	0	0	0	107.7	C346	A344-C346 PolarHBondContact O-N 3.06Å
345	S	26.6	Very low	31.7	Very low	116 Å²	116	127.3 Å²	127.3	81%	0.811	71%	0.714	S	S	*	*			trans	-52.6	108.7	159.1	50.6	0	0	0	0	108	P347	S345-P347 WeakPolarHBondContact O-CD 3.39Å; S345-P347 VanDerWaalsContact O-N 3.12Å
346	C	23.7	Very low	31.1	Very low	118 Å²	118	127 Å²	127	80%	0.797	72%	0.723	S	S	*	*			trans	-51.8	120	165.3	-74	0	0	0	0	107.1	A344 S348	A344-C346 PolarHBondContact O-N 3.06Å; C346-S348 PolarHBondContact O-N 3.31Å
347	P	28.3	Very low	30.7	Very low	112 Å²	112	126.1 Å²	126.1	73%	0.727	73%	0.725	S	S	*	*			trans	-63.5	111	173.5	16.7	-16.9	0	0	0	106.8	S345 Q349	S345-P347 WeakPolarHBondContact O-CD 3.39Å; S345-P347 VanDerWaalsContact O-N 3.12Å; P347-Q349 PolarHBondContact O-N 3.11Å
348	S	30.9	Very low	30.6	Very low	116 Å²	116	126.6 Å²	126.6	81%	0.811	72%	0.724	S	S	*	*			trans	-68.3	53.7	164.2	46.7	0	0	0	0	109.8	C346 C350	C346-S348 PolarHBondContact O-N 3.31Å; S348-C350 VanDerWaalsContact C-N 3.26Å; S348-C350 PolarHBondContact O-N 3.21Å; S348-C350 VanDerWaalsContact O-N 3.16Å
349	Q	26.3	Very low	30.6	Very low	147 Å²	147	133.6 Å²	133.6	69%	0.687	75%	0.746	S	S	*	*			trans	-82.3	86.8	157.7	-82.8	-179.7	-10.1	0	0	106.7	P347 Y351	P347-Q349 PolarHBondContact O-N 3.11Å; Q349-Y351 HydrophobicContact CB-CD2 4.49Å; Q349-Y351 PolarHBondContact O-N 3.02Å
350	C	25.6	Very low	31.2	Very low	107 Å²	107	126.2 Å²	126.2	72%	0.723	73%	0.725	S	S	*	*			trans	-56	92.7	152.8	-78	0	0	0	0	106.9	S348 S352	S348-C350 VanDerWaalsContact C-N 3.26Å; S348-C350 PolarHBondContact O-N 3.21Å; S348-C350 VanDerWaalsContact O-N 3.16Å; C350-S352 PolarHBondContact O-N 3.26Å
351	Y	29.3	Very low	32.4	Very low	194 Å²	194	122.5 Å²	122.5	76%	0.761	71%	0.711	S	S	*	*			trans	-60.8	100.7	159.5	-100.5	-92	0	0	0	106.1	Q349 D353	Q349-Y351 HydrophobicContact CB-CD2 4.49Å; Q349-Y351 PolarHBondContact O-N 3.02Å; Y351-D353 PolarHBondContact O-N 2.72Å
352	S	26.9	Very low	34.3	Very low	101 Å²	101	116 Å²	116	71%	0.706	68%	0.683	S	S	*	*			trans	-73.2	64.1	166.5	38.4	0	0	0	0	107.7	C350 T354	C350-S352 PolarHBondContact O-N 3.26Å; S352-T354 PolarHBondContact O-N 3.17Å
353	D	29.6	Very low	36.3	Very low	144 Å²	144	113.3 Å²	113.3	77%	0.77	66%	0.663	S	S	*	*			trans	-73.9	81.5	154.6	-100	-15.9	0	0	0	106.3	Y351 G355	Y351-D353 PolarHBondContact O-N 2.72Å; D353-G355 PolarHBondContact O-N 3.3Å
354	T	29.6	Very low	38.7	Very low	131 Å²	131	106.1 Å²	106.1	80%	0.804	63%	0.625	S	S	*	*			trans	-64	63.5	146.5	45.8	0	0	0	0	107.9	S352 T356	S352-T354 PolarHBondContact O-N 3.17Å; T354-T356 PolarHBondContact O-N 3.14Å
355	G	31.4	Very low	41.4	Very low	49 Å²	49	105.3 Å²	105.3	51%	0.505	62%	0.615	S	S	.	*			trans	-59.4	111.1	158.2	0	0	0	0	0	105.4	D353 L357	D353-G355 PolarHBondContact O-N 3.3Å; G355-L357 PolarHBondContact O-N 3.19Å
356	T	32.5	Very low	44.4	Very low	129 Å²	129	104.3 Å²	104.3	79%	0.791	60%	0.604	S	S	*	*			trans	-23.3	102.9	172.6	42.3	0	0	0	0	110.8	T354 E358	T354-T356 PolarHBondContact O-N 3.14Å; T356-E358 VanDerWaalsContact C-N 3.29Å; T356-E358 PolarHBondContact O-N 2.99Å
357	L	37.2	Very low	47.5	Very low	136 Å²	136	105.4 Å²	105.4	71%	0.712	60%	0.595	S	S	*	*			trans	-61.6	97.2	178.5	-128.2	104.9	0	0	0	106.5	G355 K359	G355-L357 PolarHBondContact O-N 3.19Å; L357-K359 PolarHBondContact O-N 3.49Å
358	E	37.7	Very low	50.5	Low	118 Å²	118	103 Å²	103	55%	0.551	58%	0.579	S	S	*	*			trans	-56.7	114.1	179.7	-74.3	-170.3	153.1	0	0	108.1	K138 T356 S360	K138-E358 PolarHBondContact NZ-O 3.07Å; T356-E358 VanDerWaalsContact C-N 3.29Å; T356-E358 PolarHBondContact O-N 2.99Å; E358-S360 PolarHBondContact O-N 3.37Å; E358-S360 VanDerWaalsContact O-N 3.08Å
359	K	37.5	Very low	53.5	Low	218 Å²	218	97.6 Å²	97.6	95%	0.948	54%	0.541	S	S	*	.			trans	-64.2	-6.6	-179.8	-73.9	176.2	175.9	174.6	0	112.7	L357	L357-K359 PolarHBondContact O-N 3.49Å
360	S	44.6	Very low	56.8	Low	51 Å²	51	92 Å²	92	36%	0.357	52%	0.515	S	S	.	.			trans	-75.7	130.6	174.5	56.6	0	0	0	0	110.7	K138 E358 F362	K138-S360 PolarHBondContact NZ-O 3.3Å; E358-S360 PolarHBondContact O-N 3.37Å; E358-S360 VanDerWaalsContact O-N 3.08Å; S360-F362 WeakPolarHBondContact CB-O 3.38Å; S360-F362 PolarHBondContact O-N 2.87Å; S360-F362 PolarHBondContact OG-O 3.29Å
361	S	61	Low	60.1	Low	71 Å²	71	89.5 Å²	89.5	50%	0.497	50%	0.498	S	S	.	.	S	Bend	trans	-67.7	-20.1	177.3	-173.8	0	0	0	0	112.7
362	F	73.3	Confident	63.2	Low	32 Å²	32	81.7 Å²	81.7	14%	0.14	47%	0.468	C	S	.	.	S	Bend	trans	-134.6	149.1	179.8	-64.6	-78.3	0	0	0	109.2	S360 Y456 Y458	S360-F362 WeakPolarHBondContact CB-O 3.38Å; S360-F362 PolarHBondContact O-N 2.87Å; S360-F362 PolarHBondContact OG-O 3.29Å; F362-Y456 WeakPolarHBondContact CD1-O 3.4Å; F362-Y456 HydrophobicContact CE1-CD1 4.02Å; F362-Y456 HydrophobicContact CZ-CD1 4.44Å; F362-Y458 VanDerWaalsContact CE1-C 3.42Å; F362-Y458 WeakPolarHBondContact CE1-O 3.45Å
363	P	70.1	Confident	66.5	Low	47 Å²	47	76.9 Å²	76.9	31%	0.305	44%	0.435	S	S	.	.	S	Bend	trans	-64.4	-40.5	180	22.3	-29.7	0	0	0	111.9	K166 N168	K166-P363 WeakPolarHBondContact O-CG 3.28Å; N168-P363 PolarHBondContact ND2-O 2.83Å; N168-P363 PolarHBondContact OD1-O 2.87Å
364	T	81.2	Confident	69.6	Low	13 Å²	13	73.3 Å²	73.3	8%	0.08	41%	0.412	C	S	.	.	S	Bend	trans	-98.3	155.4	-176.6	49.7	0	0	0	0	113.3	L165 N168 Q369	L165-T364 WeakPolarHBondContact O-CG2 3.28Å; L165-T364 PolarHBondContact O-OG1 2.83Å; L165-T364 VanDerWaalsContact O-OG1 3.08Å; N168-T364 VanDerWaalsContact OD1-CG2 3.32Å; N168-T364 WeakPolarHBondContact OD1-CG2 3.35Å; T364-Q369 PolarHBondContact O-NE2 3.43Å; T364-Q369 WeakPolarHBondContact OG1-CG 3.5Å; T364-Q369 PolarHBondContact OG1-NE2 3.13Å
365	S	86.8	Confident	72.7	Confident	62 Å²	62	73.8 Å²	73.8	43%	0.434	40%	0.403	S	S	.	.			trans	-66	152.1	175.1	88.7	0	0	0	0	112	F367 T368 Q369	S365-F367 VanDerWaalsContact C-N 3.25Å; S365-F367 PolarHBondContact O-N 3.27Å; S365-T368 PolarHBondContact O-N 2.84Å; S365-T368 WeakPolarHBondContact OG-CB 3.18Å; S365-T368 PolarHBondContact OG-N 3.06Å; S365-T368 VanDerWaalsContact OG-N 3.12Å; S365-T368 PolarHBondContact OG-OG1 3.26Å; S365-Q369 VanDerWaalsContact O-CG 3.3Å; S365-Q369 WeakPolarHBondContact O-CG 3.35Å; S365-Q369 PolarHBondContact O-N 3.06Å
366	T	88	Confident	75.8	Confident	94 Å²	94	71.9 Å²	71.9	58%	0.577	38%	0.381	S	S	*	.	H	α-helix	trans	-62.6	-31.5	179.7	50.3	0	0	0	0	113.2	F370	T366-F370 WeakPolarHBondContact O-CB 3.44Å; T366-F370 PolarHBondContact O-N 3.46Å
367	F	90.4	Very high	78.7	Confident	141 Å²	141	66.3 Å²	66.3	62%	0.618	35%	0.347	S	S	*	.	H	α-helix	trans	-72.2	-43.6	177	-175.5	-104.2	0	0	0	111.2	S365 Q369 F370 C371	S365-F367 VanDerWaalsContact C-N 3.25Å; S365-F367 PolarHBondContact O-N 3.27Å; F367-Q369 VanDerWaalsContact C-N 3.33Å; F367-Q369 PolarHBondContact O-N 3.28Å; F367-F370 HydrophobicContact CE2-CD1 4.48Å; F367-F370 WeakPolarHBondContact O-CB 3.34Å; F367-F370 PolarHBondContact O-N 2.91Å; F367-F370 VanDerWaalsContact O-N 3.16Å; F367-C371 PolarHBondContact O-N 3.12Å; F367-C371 PolarHBondContact O-SG 3.49Å; F367-C371 VanDerWaalsContact O-SG 3.38Å
368	T	90.8	Very high	81.3	Confident	63 Å²	63	63.5 Å²	63.5	39%	0.387	33%	0.329	S	S	.	.	H	α-helix	trans	-61	-43.4	174.1	-49.1	0	0	0	0	111.1	S365 F370 C371 I372	S365-T368 PolarHBondContact O-N 2.84Å; S365-T368 WeakPolarHBondContact OG-CB 3.18Å; S365-T368 PolarHBondContact OG-N 3.06Å; S365-T368 VanDerWaalsContact OG-N 3.12Å; S365-T368 PolarHBondContact OG-OG1 3.26Å; T368-F370 VanDerWaalsContact C-N 3.33Å; T368-F370 PolarHBondContact O-N 2.98Å; T368-C371 PolarHBondContact O-N 3.16Å; T368-I372 HydrophobicContact CG2-CD1 3.9Å; T368-I372 WeakPolarHBondContact O-CD1 3.28Å; T368-I372 VanDerWaalsContact O-CG1 3.29Å; T368-I372 WeakPolarHBondContact O-CG1 3.37Å; T368-I372 PolarHBondContact O-N 3.07Å
369	Q	93.8	Very high	83.9	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-55.4	-49.1	172.6	-70.4	170.1	17	0	0	111	L165 T364 S365 F367 C371 I372 L373 S459 A462	L165-Q369 HydrophobicContact CD2-CB 4.5Å; L165-Q369 HydrophobicContact CD2-CG 4.34Å; T364-Q369 PolarHBondContact O-NE2 3.43Å; T364-Q369 WeakPolarHBondContact OG1-CG 3.5Å; T364-Q369 PolarHBondContact OG1-NE2 3.13Å; S365-Q369 VanDerWaalsContact O-CG 3.3Å; S365-Q369 WeakPolarHBondContact O-CG 3.35Å; S365-Q369 PolarHBondContact O-N 3.06Å; F367-Q369 VanDerWaalsContact C-N 3.33Å; F367-Q369 PolarHBondContact O-N 3.28Å; Q369-C371 PolarHBondContact O-N 3.28Å; Q369-I372 PolarHBondContact O-N 3.44Å; Q369-L373 WeakPolarHBondContact O-CB 3.43Å; Q369-L373 WeakPolarHBondContact O-CD1 3.46Å; Q369-L373 WeakPolarHBondContact O-CG 3.48Å; Q369-L373 PolarHBondContact O-N 2.9Å; Q369-S459 PolarHBondContact OE1-OG 3.06Å; Q369-S459 VanDerWaalsContact OE1-OG 3.09Å; Q369-A462 HydrophobicContact CB-CB 3.77Å
370	F	94.9	Very high	86.4	Confident	31 Å²	31	50.6 Å²	50.6	14%	0.136	27%	0.274	C	S	.	.	H	α-helix	trans	-57.6	-48.6	177.8	164.4	-96.1	0	0	0	112	T366 F367 T368 I372 L373 F374 A462 L465 A466 M469	T366-F370 WeakPolarHBondContact O-CB 3.44Å; T366-F370 PolarHBondContact O-N 3.46Å; F367-F370 HydrophobicContact CE2-CD1 4.48Å; F367-F370 WeakPolarHBondContact O-CB 3.34Å; F367-F370 PolarHBondContact O-N 2.91Å; F367-F370 VanDerWaalsContact O-N 3.16Å; T368-F370 VanDerWaalsContact C-N 3.33Å; T368-F370 PolarHBondContact O-N 2.98Å; F370-I372 PolarHBondContact O-N 3.15Å; F370-L373 PolarHBondContact O-N 3.33Å; F370-F374 HydrophobicContact CE2-CB 4.48Å; F370-F374 HydrophobicContact CZ-CB 4.38Å; F370-F374 HydrophobicContact CZ-CD2 4.49Å; F370-F374 WeakPolarHBondContact O-CB 3.49Å; F370-F374 PolarHBondContact O-N 2.7Å; F370-A462 HydrophobicContact CB-CB 4.42Å; F370-L465 HydrophobicContact CD2-CB 4.11Å; F370-L465 HydrophobicContact CD2-CD2 3.9Å; F370-L465 HydrophobicContact CD2-CG 3.89Å; F370-L465 HydrophobicContact CE2-CB 4.28Å; F370-L465 HydrophobicContact CE2-CD2 3.99Å; F370-L465 HydrophobicContact CE2-CG 3.7Å; F370-A466 HydrophobicContact CD2-CB 3.84Å; F370-A466 HydrophobicContact CE2-CB 4.12Å; F370-M469 HydrophobicContact CE2-SD 3.64Å; F370-M469 HydrophobicContact CZ-CE 4.15Å; F370-M469 HydrophobicContact CZ-SD 3.43Å; F370-M469 WeakPolarHBondContact CZ-SD 3.28Å
371	C	95.3	Very high	88.6	Confident	54 Å²	54	49.2 Å²	49.2	37%	0.365	26%	0.262	S	S	.	.	H	α-helix	trans	-61.1	-42.5	-180	-66	0	0	0	0	112.6	F367 T368 Q369 K375	F367-C371 PolarHBondContact O-N 3.12Å; F367-C371 PolarHBondContact O-SG 3.49Å; F367-C371 VanDerWaalsContact O-SG 3.38Å; T368-C371 PolarHBondContact O-N 3.16Å; Q369-C371 PolarHBondContact O-N 3.28Å; C371-K375 WeakPolarHBondContact O-CB 3.27Å; C371-K375 PolarHBondContact O-N 2.93Å
372	I	94.6	Very high	89.9	Confident	29 Å²	29	48.8 Å²	48.8	15%	0.149	26%	0.259	C	S	.	.	H	α-helix	trans	-65.1	-47.5	178.3	-64.4	159.3	0	0	0	110.3	V161 H164 L165 T368 Q369 F370 K375 R376	V161-I372 HydrophobicContact CG1-CG2 4.49Å; H164-I372 HydrophobicContact CB-CD1 3.73Å; H164-I372 HydrophobicContact CB-CG1 4.23Å; H164-I372 HydrophobicContact CB-CG2 4.37Å; H164-I372 WeakPolarHBondContact O-CD1 3.34Å; L165-I372 HydrophobicContact CD1-CG2 4.5Å; L165-I372 HydrophobicContact CD2-CB 4.19Å; L165-I372 HydrophobicContact CD2-CD1 4.05Å; L165-I372 HydrophobicContact CD2-CG2 4.04Å; L165-I372 HydrophobicContact CG-CD1 4.46Å; L165-I372 HydrophobicContact CG-CG2 4.04Å; T368-I372 HydrophobicContact CG2-CD1 3.9Å; T368-I372 WeakPolarHBondContact O-CD1 3.28Å; T368-I372 VanDerWaalsContact O-CG1 3.29Å; T368-I372 WeakPolarHBondContact O-CG1 3.37Å; T368-I372 PolarHBondContact O-N 3.07Å; Q369-I372 PolarHBondContact O-N 3.44Å; F370-I372 PolarHBondContact O-N 3.15Å; I372-K375 PolarHBondContact O-N 3.31Å; I372-R376 WeakPolarHBondContact O-CB 3.37Å; I372-R376 PolarHBondContact O-N 3.14Å
373	L	95.4	Very high	90.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.4	-39.6	-179.3	-66.8	170.2	0	0	0	111.6	L165 Q369 F370 R376 T377 Y458 A462 A466	L165-L373 HydrophobicContact CD1-CD2 4.34Å; L165-L373 HydrophobicContact CD2-CG 4.5Å; Q369-L373 WeakPolarHBondContact O-CB 3.43Å; Q369-L373 WeakPolarHBondContact O-CD1 3.46Å; Q369-L373 WeakPolarHBondContact O-CG 3.48Å; Q369-L373 PolarHBondContact O-N 2.9Å; F370-L373 PolarHBondContact O-N 3.33Å; L373-R376 VanDerWaalsContact CD2-CZ 3.48Å; L373-R376 PolarHBondContact O-N 3.41Å; L373-T377 WeakPolarHBondContact O-CB 3.16Å; L373-T377 PolarHBondContact O-N 2.85Å; L373-T377 PolarHBondContact O-OG1 3.47Å; L373-T377 VanDerWaalsContact O-OG1 3.06Å; L373-Y458 HydrophobicContact CD1-CD1 4.22Å; L373-Y458 HydrophobicContact CD1-CD2 3.75Å; L373-Y458 HydrophobicContact CD1-CE2 4.17Å; L373-Y458 HydrophobicContact CD1-CG 3.77Å; L373-Y458 HydrophobicContact CD2-CD1 3.9Å; L373-Y458 HydrophobicContact CD2-CE1 3.76Å; L373-Y458 HydrophobicContact CD2-CE2 4.44Å; L373-Y458 HydrophobicContact CD2-CG 4.29Å; L373-A462 HydrophobicContact CD1-CB 4.14Å; L373-A466 HydrophobicContact CB-CB 3.66Å
374	F	95.6	Very high	91.7	Very high	69 Å²	69	50.5 Å²	50.5	30%	0.303	26%	0.261	S	S	.	.	H	α-helix	trans	-61.4	-50.5	176	175.1	-96.4	0	0	0	110.5	F370 R376 T377 F378 A466 M469 A470	F370-F374 HydrophobicContact CE2-CB 4.48Å; F370-F374 HydrophobicContact CZ-CB 4.38Å; F370-F374 HydrophobicContact CZ-CD2 4.49Å; F370-F374 WeakPolarHBondContact O-CB 3.49Å; F370-F374 PolarHBondContact O-N 2.7Å; F374-R376 VanDerWaalsContact C-N 3.33Å; F374-R376 PolarHBondContact O-N 3.13Å; F374-T377 PolarHBondContact O-N 2.9Å; F374-F378 VanDerWaalsContact O-CB 3.22Å; F374-F378 WeakPolarHBondContact O-CB 3.34Å; F374-F378 PolarHBondContact O-N 2.96Å; F374-A466 HydrophobicContact CB-CB 4.16Å; F374-M469 HydrophobicContact CD2-CB 4.09Å; F374-M469 HydrophobicContact CE2-CB 3.99Å; F374-A470 HydrophobicContact CD2-CB 4.06Å; F374-A470 HydrophobicContact CE2-CB 4.11Å
375	K	95.1	Very high	91.8	Very high	141 Å²	141	54 Å²	54	61%	0.613	28%	0.283	S	S	*	.	H	α-helix	trans	-58.7	-45.2	176.8	-178	177.4	178.7	179.8	0	111.5	C371 I372 I379	C371-K375 WeakPolarHBondContact O-CB 3.27Å; C371-K375 PolarHBondContact O-N 2.93Å; I372-K375 PolarHBondContact O-N 3.31Å; K375-I379 HydrophobicContact CG-CD1 3.83Å; K375-I379 WeakPolarHBondContact O-CB 3.46Å; K375-I379 WeakPolarHBondContact O-CD1 3.42Å; K375-I379 VanDerWaalsContact O-CG1 3.24Å; K375-I379 WeakPolarHBondContact O-CG1 3.34Å; K375-I379 PolarHBondContact O-N 3.14Å
376	R	95.1	Very high	91.8	Very high	10 Å²	10	55.7 Å²	55.7	4%	0.038	29%	0.29	C	S	.	.	H	α-helix	trans	-57.5	-56.3	177.1	179.5	-174.8	78.3	168.3	1.2	111	L150 L153 V161 I372 L373 F374 F378 I379 T380 E452	L150-R376 HydrophobicContact CD1-CG 4.16Å; L153-R376 HydrophobicContact CD1-CG 3.9Å; V161-R376 HydrophobicContact CG2-CB 4.4Å; V161-R376 HydrophobicContact CG2-CG 4.25Å; I372-R376 WeakPolarHBondContact O-CB 3.37Å; I372-R376 PolarHBondContact O-N 3.14Å; L373-R376 VanDerWaalsContact CD2-CZ 3.48Å; L373-R376 PolarHBondContact O-N 3.41Å; F374-R376 VanDerWaalsContact C-N 3.33Å; F374-R376 PolarHBondContact O-N 3.13Å; R376-F378 VanDerWaalsContact C-N 3.33Å; R376-F378 PolarHBondContact O-N 3.31Å; R376-I379 PolarHBondContact O-N 2.74Å; R376-T380 PolarHBondContact O-N 2.88Å; R376-T380 PolarHBondContact O-OG1 3.25Å; R376-E452 IonicContact CZ-OE2 3.7Å; R376-E452 VanDerWaalsContact NH1-CD 3.31Å; R376-E452 IonicContact NH1-OE1 2.81Å; R376-E452 PolarHBondContact NH1-OE1 2.88Å; R376-E452 IonicContact NH1-OE2 3.95Å; R376-E452 PolarHBondContact NH1-OE2 3.45Å; R376-E452 IonicContact NH2-OE2 3.05Å; R376-E452 PolarHBondContact NH2-OE2 3.46Å
377	T	93.4	Very high	91.7	Very high	11 Å²	11	54.1 Å²	54.1	7%	0.067	28%	0.278	C	S	.	.	H	α-helix	trans	-62.7	-41.1	-177	-62.3	0	0	0	0	111.3	L373 F374 T380 I381 K467 A470	L373-T377 WeakPolarHBondContact O-CB 3.16Å; L373-T377 PolarHBondContact O-N 2.85Å; L373-T377 PolarHBondContact O-OG1 3.47Å; L373-T377 VanDerWaalsContact O-OG1 3.06Å; F374-T377 PolarHBondContact O-N 2.9Å; T377-T380 PolarHBondContact O-N 3Å; T377-I381 HydrophobicContact CG2-CD1 3.86Å; T377-I381 HydrophobicContact CG2-CG1 4.46Å; T377-I381 VanDerWaalsContact O-CG1 3.27Å; T377-I381 WeakPolarHBondContact O-CG1 3.36Å; T377-I381 PolarHBondContact O-N 3.34Å; T377-K467 HydrophobicContact CG2-CD 3.81Å; T377-A470 HydrophobicContact CG2-CB 3.68Å
378	F	93	Very high	91.6	Very high	78 Å²	78	49.4 Å²	49.4	34%	0.342	26%	0.261	S	S	.	.	H	α-helix	trans	-60.3	-47.3	176.2	-171	-99.4	0	0	0	112.1	F374 R376 T380 I381 C382 F474	F374-F378 VanDerWaalsContact O-CB 3.22Å; F374-F378 WeakPolarHBondContact O-CB 3.34Å; F374-F378 PolarHBondContact O-N 2.96Å; R376-F378 VanDerWaalsContact C-N 3.33Å; R376-F378 PolarHBondContact O-N 3.31Å; F378-T380 VanDerWaalsContact C-N 3.35Å; F378-T380 PolarHBondContact O-N 3.31Å; F378-I381 PolarHBondContact O-N 3.17Å; F378-C382 PolarHBondContact O-N 3.05Å; F378-C382 PolarHBondContact O-SG 3.3Å; F378-C382 VanDerWaalsContact O-SG 3.35Å; F378-F474 AromaticContact CD2-CE2 3.88Å; F378-F474 HydrophobicContact CD2-CE2 3.88Å; F378-F474 HydrophobicContact CD2-CZ 4.26Å; F378-F474 AromaticContact CE2-CE2 3.7Å; F378-F474 HydrophobicContact CE2-CE2 3.7Å; F378-F474 AromaticContact CE2-CZ 3.81Å; F378-F474 HydrophobicContact CE2-CZ 3.81Å; F378-F474 HydrophobicContact CZ-CZ 4.26Å
379	I	92	Very high	91.5	Very high	49 Å²	49	51.8 Å²	51.8	25%	0.251	27%	0.267	S	S	.	.	H	α-helix	trans	-61.7	-43.2	175.9	-68.8	167.3	0	0	0	111.1	L153 K375 R376 I381 C382 R383	L153-I379 HydrophobicContact CD2-CG2 4.42Å; K375-I379 HydrophobicContact CG-CD1 3.83Å; K375-I379 WeakPolarHBondContact O-CB 3.46Å; K375-I379 WeakPolarHBondContact O-CD1 3.42Å; K375-I379 VanDerWaalsContact O-CG1 3.24Å; K375-I379 WeakPolarHBondContact O-CG1 3.34Å; K375-I379 PolarHBondContact O-N 3.14Å; R376-I379 PolarHBondContact O-N 2.74Å; I379-I381 VanDerWaalsContact C-N 3.31Å; I379-I381 PolarHBondContact O-N 2.97Å; I379-C382 PolarHBondContact O-N 3.36Å; I379-R383 HydrophobicContact CG2-CG 4.34Å; I379-R383 WeakPolarHBondContact O-CB 3.49Å; I379-R383 WeakPolarHBondContact O-CG 3.42Å; I379-R383 PolarHBondContact O-N 2.88Å
380	T	91	Very high	91.3	Very high	15 Å²	15	56.7 Å²	56.7	9%	0.092	29%	0.293	C	S	.	.	H	α-helix	trans	-59.7	-41.7	178.5	-61.8	0	0	0	0	111.6	N152 R376 T377 F378 D384	N152-T380 HydrophobicContact CB-CG2 4.2Å; N152-T380 PolarHBondContact ND2-O 3.44Å; R376-T380 PolarHBondContact O-N 2.88Å; R376-T380 PolarHBondContact O-OG1 3.25Å; T377-T380 PolarHBondContact O-N 3Å; F378-T380 VanDerWaalsContact C-N 3.35Å; F378-T380 PolarHBondContact O-N 3.31Å; T380-D384 PolarHBondContact O-N 2.89Å
381	I	89.1	Confident	91	Very high	22 Å²	22	57.9 Å²	57.9	11%	0.113	30%	0.296	C	S	.	.	H	α-helix	trans	-68	-49	177.2	-64.4	162.3	0	0	0	110.5	T377 F378 I379 R383 D384 T388 A470 D471 F474	T377-I381 HydrophobicContact CG2-CD1 3.86Å; T377-I381 HydrophobicContact CG2-CG1 4.46Å; T377-I381 VanDerWaalsContact O-CG1 3.27Å; T377-I381 WeakPolarHBondContact O-CG1 3.36Å; T377-I381 PolarHBondContact O-N 3.34Å; F378-I381 PolarHBondContact O-N 3.17Å; I379-I381 VanDerWaalsContact C-N 3.31Å; I379-I381 PolarHBondContact O-N 2.97Å; I381-R383 PolarHBondContact O-N 3.05Å; I381-D384 PolarHBondContact O-N 3.42Å; I381-D384 VanDerWaalsContact O-N 3.14Å; I381-T388 PolarHBondContact O-OG1 3.22Å; I381-A470 HydrophobicContact CD1-CB 4.2Å; I381-D471 WeakPolarHBondContact CD1-OD1 3.37Å; I381-F474 HydrophobicContact CB-CE2 4.1Å; I381-F474 HydrophobicContact CB-CZ 4.37Å; I381-F474 HydrophobicContact CD1-CD2 4.48Å; I381-F474 HydrophobicContact CD1-CE2 4.42Å; I381-F474 HydrophobicContact CG2-CD1 4.07Å; I381-F474 HydrophobicContact CG2-CD2 3.62Å; I381-F474 HydrophobicContact CG2-CE1 4Å; I381-F474 HydrophobicContact CG2-CE2 3.54Å; I381-F474 HydrophobicContact CG2-CG 3.9Å; I381-F474 HydrophobicContact CG2-CZ 3.74Å
382	C	89.3	Confident	90.9	Very high	63 Å²	63	57.6 Å²	57.6	43%	0.426	29%	0.293	S	S	.	.	H	α-helix	trans	-58.5	-34.1	179	-71.1	0	0	0	0	113.3	F378 I379	F378-C382 PolarHBondContact O-N 3.05Å; F378-C382 PolarHBondContact O-SG 3.3Å; F378-C382 VanDerWaalsContact O-SG 3.35Å; I379-C382 PolarHBondContact O-N 3.36Å
383	R	91.8	Very high	90.8	Very high	76 Å²	76	59.7 Å²	59.7	29%	0.287	30%	0.303	S	S	.	.	H	α-helix	trans	-87.7	-10.8	-178.5	-71.6	-177.5	177.9	174.2	3.8	114	N152 E157 I379 I381 T385	N152-R383 HydrophobicContact CB-CB 4.32Å; E157-R383 IonicContact OE1-CZ 3.22Å; E157-R383 VanDerWaalsContact OE1-CZ 3.23Å; E157-R383 IonicContact OE1-NH1 3.42Å; E157-R383 PolarHBondContact OE1-NH1 3.32Å; E157-R383 IonicContact OE1-NH2 3.38Å; E157-R383 PolarHBondContact OE1-NH2 3.45Å; E157-R383 IonicContact OE2-CZ 2.74Å; E157-R383 IonicContact OE2-NH1 2.71Å; E157-R383 PolarHBondContact OE2-NH1 3.22Å; E157-R383 IonicContact OE2-NH2 3.28Å; I379-R383 HydrophobicContact CG2-CG 4.34Å; I379-R383 WeakPolarHBondContact O-CB 3.49Å; I379-R383 WeakPolarHBondContact O-CG 3.42Å; I379-R383 PolarHBondContact O-N 2.88Å; I381-R383 PolarHBondContact O-N 3.05Å; R383-T385 PolarHBondContact O-N 3.02Å
384	D	88.8	Confident	90.7	Very high	39 Å²	39	61.8 Å²	61.8	21%	0.209	32%	0.318	C	S	.	.			trans	-75.3	77.3	170.6	-159.5	-37.6	0	0	0	109.5	N152 T380 I381 V386 L387 T388	N152-D384 WeakPolarHBondContact ND2-CB 3.35Å; N152-D384 PolarHBondContact ND2-OD2 2.97Å; T380-D384 PolarHBondContact O-N 2.89Å; I381-D384 PolarHBondContact O-N 3.42Å; I381-D384 VanDerWaalsContact O-N 3.14Å; D384-V386 VanDerWaalsContact C-N 3.26Å; D384-V386 PolarHBondContact O-N 3.39Å; D384-L387 WeakPolarHBondContact OD1-CB 3.41Å; D384-L387 PolarHBondContact OD1-N 3.24Å; D384-L387 WeakPolarHBondContact OD2-CD1 3.43Å; D384-T388 WeakPolarHBondContact O-CB 3.39Å; D384-T388 PolarHBondContact O-N 2.84Å; D384-T388 PolarHBondContact O-OG1 2.82Å
385	T	83.4	Confident	90.7	Very high	87 Å²	87	58.8 Å²	58.8	53%	0.534	30%	0.304	S	S	.	.	H	α-helix	trans	-65.7	-33	-176.2	52.7	0	0	0	0	111.3	R383 H389	R383-T385 PolarHBondContact O-N 3.02Å; T385-H389 WeakPolarHBondContact O-CB 3.36Å; T385-H389 PolarHBondContact O-N 2.96Å
386	V	88.1	Confident	90.7	Very high	96 Å²	96	55.2 Å²	55.2	58%	0.582	29%	0.292	S	S	*	.	H	α-helix	trans	-68.9	-56.1	-177.4	179.2	0	0	0	0	110.3	D384 H389 L390	D384-V386 VanDerWaalsContact C-N 3.26Å; D384-V386 PolarHBondContact O-N 3.39Å; V386-H389 PolarHBondContact O-N 3.06Å; V386-L390 HydrophobicContact CG1-CD1 3.99Å; V386-L390 WeakPolarHBondContact O-CB 3.41Å; V386-L390 VanDerWaalsContact O-CG 3.24Å; V386-L390 WeakPolarHBondContact O-CG 3.38Å; V386-L390 PolarHBondContact O-N 3.47Å
387	L	85.8	Confident	90.7	Very high	61 Å²	61	58.6 Å²	58.6	32%	0.319	32%	0.316	S	S	.	.	H	α-helix	trans	-67.8	-39.5	-178.3	-71.2	178.3	0	0	0	111.9	D384 R391 T441	D384-L387 WeakPolarHBondContact OD1-CB 3.41Å; D384-L387 PolarHBondContact OD1-N 3.24Å; D384-L387 WeakPolarHBondContact OD2-CD1 3.43Å; L387-R391 WeakPolarHBondContact O-CB 3.27Å; L387-R391 VanDerWaalsContact O-CG 3.24Å; L387-R391 WeakPolarHBondContact O-CG 3.37Å; L387-R391 PolarHBondContact O-N 3.25Å; L387-T441 HydrophobicContact CD1-CG2 3.62Å
388	T	86.5	Confident	90.8	Very high	42 Å²	42	60.7 Å²	60.7	26%	0.258	33%	0.326	S	S	.	.	H	α-helix	trans	-66.6	-43.6	179.1	-55.1	0	0	0	0	111.2	I381 D384 R391 V392	I381-T388 PolarHBondContact O-OG1 3.22Å; D384-T388 WeakPolarHBondContact O-CB 3.39Å; D384-T388 PolarHBondContact O-N 2.84Å; D384-T388 PolarHBondContact O-OG1 2.82Å; T388-R391 PolarHBondContact O-N 3.37Å; T388-V392 WeakPolarHBondContact O-CG2 3.22Å; T388-V392 PolarHBondContact O-N 2.97Å
389	H	88.9	Confident	91	Very high	113 Å²	113	57 Å²	57	52%	0.523	31%	0.31	S	S	.	.	H	α-helix	trans	-65.4	-44.2	177.6	-173.7	-90.8	0	0	0	111.9	T385 V386 R391 V392 M393	T385-H389 WeakPolarHBondContact O-CB 3.36Å; T385-H389 PolarHBondContact O-N 2.96Å; V386-H389 PolarHBondContact O-N 3.06Å; H389-R391 VanDerWaalsContact C-N 3.29Å; H389-R391 PolarHBondContact O-N 2.96Å; H389-V392 PolarHBondContact O-N 2.98Å; H389-M393 WeakPolarHBondContact CE1-CG 3.49Å; H389-M393 WeakPolarHBondContact O-CB 3.49Å; H389-M393 VanDerWaalsContact O-CG 3.31Å; H389-M393 WeakPolarHBondContact O-CG 3.24Å; H389-M393 PolarHBondContact O-N 3.11Å
390	L	89.8	Confident	91.2	Very high	104 Å²	104	57.4 Å²	57.4	55%	0.545	32%	0.315	S	S	.	.	H	α-helix	trans	-61	-38.7	175.8	-72.4	173.7	0	0	0	112	V386 S394	V386-L390 HydrophobicContact CG1-CD1 3.99Å; V386-L390 WeakPolarHBondContact O-CB 3.41Å; V386-L390 VanDerWaalsContact O-CG 3.24Å; V386-L390 WeakPolarHBondContact O-CG 3.38Å; V386-L390 PolarHBondContact O-N 3.47Å; L390-S394 VanDerWaalsContact O-CB 3.23Å; L390-S394 WeakPolarHBondContact O-CB 3.41Å; L390-S394 PolarHBondContact O-N 2.86Å; L390-S394 PolarHBondContact O-OG 3.02Å
391	R	90	Very high	91.4	Very high	56 Å²	56	61.9 Å²	61.9	21%	0.211	34%	0.338	C	S	.	.	H	α-helix	trans	-64	-50.1	174.7	-76	175.5	-176.4	-171.3	5.3	111.8	L387 T388 H389 S394 H395 P437	L387-R391 WeakPolarHBondContact O-CB 3.27Å; L387-R391 VanDerWaalsContact O-CG 3.24Å; L387-R391 WeakPolarHBondContact O-CG 3.37Å; L387-R391 PolarHBondContact O-N 3.25Å; T388-R391 PolarHBondContact O-N 3.37Å; H389-R391 VanDerWaalsContact C-N 3.29Å; H389-R391 PolarHBondContact O-N 2.96Å; R391-S394 PolarHBondContact O-OG 3.36Å; R391-H395 PolarHBondContact O-N 3Å; R391-H395 VanDerWaalsContact O-N 3.17Å; R391-H395 PolarHBondContact O-ND1 3.46Å; R391-P437 VanDerWaalsContact NH2-CB 3.29Å
392	V	91.8	Very high	91.7	Very high	49 Å²	49	62 Å²	62	30%	0.297	34%	0.338	S	S	.	.	H	α-helix	trans	-64	-47.6	-179.5	173.6	0	0	0	0	110.9	T388 H389 S394 H395 L396 M481	T388-V392 WeakPolarHBondContact O-CG2 3.22Å; T388-V392 PolarHBondContact O-N 2.97Å; H389-V392 PolarHBondContact O-N 2.98Å; V392-S394 PolarHBondContact O-N 2.86Å; V392-H395 PolarHBondContact O-N 2.93Å; V392-L396 WeakPolarHBondContact O-CB 3.39Å; V392-L396 PolarHBondContact O-N 3.28Å; V392-M481 HydrophobicContact CG1-CE 4.04Å; V392-M481 HydrophobicContact CG1-SD 4.17Å; V392-M481 WeakPolarHBondContact O-CE 3.49Å
393	M	93.2	Very high	92	Very high	73 Å²	73	59 Å²	59	36%	0.36	32%	0.318	S	S	.	.	H	α-helix	trans	-63.3	-42.1	179.8	-71	-62.3	132.8	0	0	112.4	H389 H395 L396 C397	H389-M393 WeakPolarHBondContact CE1-CG 3.49Å; H389-M393 WeakPolarHBondContact O-CB 3.49Å; H389-M393 VanDerWaalsContact O-CG 3.31Å; H389-M393 WeakPolarHBondContact O-CG 3.24Å; H389-M393 PolarHBondContact O-N 3.11Å; M393-H395 PolarHBondContact O-N 3.27Å; M393-L396 PolarHBondContact O-N 3.28Å; M393-C397 WeakPolarHBondContact O-CB 3.41Å; M393-C397 PolarHBondContact O-N 3.34Å; M393-C397 PolarHBondContact O-SG 3.32Å
394	S	93.3	Very high	92.1	Very high	43 Å²	43	60.5 Å²	60.5	30%	0.301	33%	0.331	S	S	.	.	H	α-helix	trans	-62.3	-43	177.4	53.8	0	0	0	0	112.3	L390 R391 V392 L396 I398	L390-S394 VanDerWaalsContact O-CB 3.23Å; L390-S394 WeakPolarHBondContact O-CB 3.41Å; L390-S394 PolarHBondContact O-N 2.86Å; L390-S394 PolarHBondContact O-OG 3.02Å; R391-S394 PolarHBondContact O-OG 3.36Å; V392-S394 PolarHBondContact O-N 2.86Å; S394-L396 VanDerWaalsContact C-N 3.35Å; S394-L396 PolarHBondContact O-N 3.43Å; S394-I398 WeakPolarHBondContact O-CB 3.49Å; S394-I398 VanDerWaalsContact O-CG1 3.31Å; S394-I398 WeakPolarHBondContact O-CG1 3.43Å; S394-I398 PolarHBondContact O-N 3.46Å
395	H	94.9	Very high	92.4	Very high	6 Å²	6	64.1 Å²	64.1	3%	0.028	35%	0.35	C	S	.	.	H	α-helix	trans	-65.6	-37.6	176.6	-73.2	72.8	0	0	0	112.1	R391 V392 M393 G399 F429 M481	R391-H395 PolarHBondContact O-N 3Å; R391-H395 VanDerWaalsContact O-N 3.17Å; R391-H395 PolarHBondContact O-ND1 3.46Å; V392-H395 PolarHBondContact O-N 2.93Å; M393-H395 PolarHBondContact O-N 3.27Å; H395-G399 WeakPolarHBondContact O-CA 3.28Å; H395-G399 PolarHBondContact O-N 3Å; H395-F429 HydrophobicContact CB-CE1 4.45Å; H395-F429 HydrophobicContact CB-CZ 4.46Å; H395-F429 AromaticContact CD2-CE1 3.75Å; H395-F429 AromaticContact CG-CZ 3.97Å; H395-M481 HydrophobicContact CB-CE 3.61Å
396	L	95.8	Very high	92.9	Very high	67 Å²	67	61.4 Å²	61.4	35%	0.351	33%	0.33	S	S	.	.	H	α-helix	trans	-67.3	-53.9	176	-179.2	63.3	0	0	0	111.6	V392 M393 S394 I398 G399 V400 M481 I485	V392-L396 WeakPolarHBondContact O-CB 3.39Å; V392-L396 PolarHBondContact O-N 3.28Å; M393-L396 PolarHBondContact O-N 3.28Å; S394-L396 VanDerWaalsContact C-N 3.35Å; S394-L396 PolarHBondContact O-N 3.43Å; L396-I398 PolarHBondContact O-N 2.65Å; L396-G399 PolarHBondContact O-N 3.49Å; L396-V400 HydrophobicContact CD1-CG2 4.46Å; L396-V400 WeakPolarHBondContact O-CG2 3.45Å; L396-V400 PolarHBondContact O-N 2.57Å; L396-M481 HydrophobicContact CB-CE 4.35Å; L396-I485 HydrophobicContact CD1-CD1 3.62Å
397	C	95.8	Very high	93.1	Very high	80 Å²	80	61.1 Å²	61.1	54%	0.541	33%	0.325	S	S	.	.	H	α-helix	trans	-62.7	-44.3	-177.6	-67.3	0	0	0	0	112.1	M393 L401	M393-C397 WeakPolarHBondContact O-CB 3.41Å; M393-C397 PolarHBondContact O-N 3.34Å; M393-C397 PolarHBondContact O-SG 3.32Å; C397-L401 WeakPolarHBondContact O-CB 3.37Å; C397-L401 PolarHBondContact O-N 3.08Å
398	I	95.6	Very high	93.4	Very high	55 Å²	55	61.7 Å²	61.7	28%	0.282	33%	0.328	S	S	.	.	H	α-helix	trans	-73.4	-34.4	179.9	-65.9	167.5	0	0	0	110.8	S394 L396 L401 I402 F429 Y482	S394-I398 WeakPolarHBondContact O-CB 3.49Å; S394-I398 VanDerWaalsContact O-CG1 3.31Å; S394-I398 WeakPolarHBondContact O-CG1 3.43Å; S394-I398 PolarHBondContact O-N 3.46Å; L396-I398 PolarHBondContact O-N 2.65Å; I398-L401 PolarHBondContact O-N 2.87Å; I398-I402 HydrophobicContact CG2-CD1 3.63Å; I398-I402 HydrophobicContact CG2-CG1 4.18Å; I398-I402 WeakPolarHBondContact O-CB 3.32Å; I398-I402 WeakPolarHBondContact O-CG1 2.98Å; I398-I402 PolarHBondContact O-N 3.24Å; I398-F429 HydrophobicContact CB-CD2 4.42Å; I398-F429 HydrophobicContact CB-CE1 4.33Å; I398-F429 HydrophobicContact CB-CE2 4.06Å; I398-F429 HydrophobicContact CB-CZ 3.99Å; I398-F429 HydrophobicContact CD1-CD2 3.81Å; I398-F429 HydrophobicContact CD1-CE2 3.22Å; I398-F429 HydrophobicContact CD1-CZ 3.84Å; I398-F429 HydrophobicContact CG1-CE2 4.21Å; I398-F429 HydrophobicContact CG1-CZ 4.49Å; I398-F429 HydrophobicContact CG2-CD1 4.05Å; I398-F429 HydrophobicContact CG2-CD2 3.79Å; I398-F429 HydrophobicContact CG2-CE1 4.16Å; I398-F429 HydrophobicContact CG2-CE2 3.94Å; I398-F429 HydrophobicContact CG2-CG 3.86Å; I398-F429 HydrophobicContact CG2-CZ 4.11Å; I398-Y482 HydrophobicContact CG2-CE2 4.39Å
399	G	95.9	Very high	93.5	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-59.2	-49.4	171.8	0	0	0	0	0	112.4	H395 L396 G403 Y482 V486	H395-G399 WeakPolarHBondContact O-CA 3.28Å; H395-G399 PolarHBondContact O-N 3Å; L396-G399 PolarHBondContact O-N 3.49Å; G399-G403 PolarHBondContact O-N 3.26Å; G399-Y482 VanDerWaalsContact CA-CE2 3.47Å; G399-V486 WeakPolarHBondContact O-CG1 3.5Å
400	V	96.5	Very high	93.4	Very high	58 Å²	58	55.1 Å²	55.1	35%	0.352	30%	0.295	S	S	.	.	H	α-helix	trans	-64.7	-43.4	176.5	173.8	0	0	0	0	111.3	L396 G403 L404 I485	L396-V400 HydrophobicContact CD1-CG2 4.46Å; L396-V400 WeakPolarHBondContact O-CG2 3.45Å; L396-V400 PolarHBondContact O-N 2.57Å; V400-G403 PolarHBondContact O-N 2.8Å; V400-L404 HydrophobicContact CG1-CD1 3.89Å; V400-L404 HydrophobicContact CG1-CG 4.23Å; V400-L404 WeakPolarHBondContact O-CB 3.49Å; V400-L404 VanDerWaalsContact O-CG 3.27Å; V400-L404 WeakPolarHBondContact O-CG 3.09Å; V400-L404 PolarHBondContact O-N 3.37Å; V400-I485 HydrophobicContact CG2-CG2 4.2Å
401	L	96	Very high	93.2	Very high	110 Å²	110	52.6 Å²	52.6	58%	0.576	28%	0.282	S	S	*	.	H	α-helix	trans	-60.3	-49.7	179	179	66.1	0	0	0	112.1	C397 I398 L404 L405	C397-L401 WeakPolarHBondContact O-CB 3.37Å; C397-L401 PolarHBondContact O-N 3.08Å; I398-L401 PolarHBondContact O-N 2.87Å; L401-L404 PolarHBondContact O-N 2.98Å; L401-L405 WeakPolarHBondContact O-CB 3.34Å; L401-L405 PolarHBondContact O-N 3.28Å
402	I	94.9	Very high	93.2	Very high	23 Å²	23	50.8 Å²	50.8	12%	0.118	28%	0.277	C	S	.	.	H	α-helix	trans	-66.3	-41.5	178.5	-68.9	175.1	0	0	0	110.1	I398 L404 L405 Y406 F422 Y482 V486	I398-I402 HydrophobicContact CG2-CD1 3.63Å; I398-I402 HydrophobicContact CG2-CG1 4.18Å; I398-I402 WeakPolarHBondContact O-CB 3.32Å; I398-I402 WeakPolarHBondContact O-CG1 2.98Å; I398-I402 PolarHBondContact O-N 3.24Å; I402-L404 VanDerWaalsContact C-N 3.34Å; I402-L404 PolarHBondContact O-N 3.22Å; I402-L405 PolarHBondContact O-N 2.98Å; I402-Y406 HydrophobicContact CG2-CD2 3.99Å; I402-Y406 HydrophobicContact CG2-CE2 4.34Å; I402-Y406 WeakPolarHBondContact O-CD2 3.42Å; I402-Y406 PolarHBondContact O-N 3.03Å; I402-Y406 VanDerWaalsContact O-N 3.08Å; I402-F422 HydrophobicContact CG2-CD2 3.6Å; I402-F422 HydrophobicContact CG2-CE2 3.79Å; I402-Y482 HydrophobicContact CD1-CE2 4.4Å; I402-Y482 WeakPolarHBondContact CD1-OH 3.32Å; I402-V486 HydrophobicContact CB-CG1 4.46Å; I402-V486 HydrophobicContact CG2-CG1 4.35Å
403	G	94.3	Very high	92.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.6	-40.2	176.5	0	0	0	0	0	113.2	G399 V400 L407	G399-G403 PolarHBondContact O-N 3.26Å; V400-G403 PolarHBondContact O-N 2.8Å; G403-L407 PolarHBondContact O-N 2.58Å
404	L	94.9	Very high	92.6	Very high	108 Å²	108	47.4 Å²	47.4	57%	0.565	26%	0.263	S	S	*	.	H	α-helix	trans	-70	-37.9	175.4	-72.5	174.3	0	0	0	112.4	V400 L401 I402 Y406 M489	V400-L404 HydrophobicContact CG1-CD1 3.89Å; V400-L404 HydrophobicContact CG1-CG 4.23Å; V400-L404 WeakPolarHBondContact O-CB 3.49Å; V400-L404 VanDerWaalsContact O-CG 3.27Å; V400-L404 WeakPolarHBondContact O-CG 3.09Å; V400-L404 PolarHBondContact O-N 3.37Å; L401-L404 PolarHBondContact O-N 2.98Å; I402-L404 VanDerWaalsContact C-N 3.34Å; I402-L404 PolarHBondContact O-N 3.22Å; L404-Y406 VanDerWaalsContact C-N 3.32Å; L404-Y406 PolarHBondContact O-N 3.26Å; L404-M489 HydrophobicContact CD2-CE 3.69Å; L404-M489 HydrophobicContact CG-CE 3.78Å
405	L	94.6	Very high	92.4	Very high	115 Å²	115	49.3 Å²	49.3	60%	0.602	27%	0.265	S	S	*	.	H	α-helix	trans	-67.4	-35.1	-178.9	-168.1	146.3	0	0	0	112	L401 I402	L401-L405 WeakPolarHBondContact O-CB 3.34Å; L401-L405 PolarHBondContact O-N 3.28Å; I402-L405 PolarHBondContact O-N 2.98Å
406	Y	93.8	Very high	92.1	Very high	31 Å²	31	49.2 Å²	49.2	12%	0.122	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	30.2	-178.7	-63.7	-85	0	0	0	113.7	I402 L404 N408 I409 N418 F422 T490	I402-Y406 HydrophobicContact CG2-CD2 3.99Å; I402-Y406 HydrophobicContact CG2-CE2 4.34Å; I402-Y406 WeakPolarHBondContact O-CD2 3.42Å; I402-Y406 PolarHBondContact O-N 3.03Å; I402-Y406 VanDerWaalsContact O-N 3.08Å; L404-Y406 VanDerWaalsContact C-N 3.32Å; L404-Y406 PolarHBondContact O-N 3.26Å; Y406-N408 PolarHBondContact O-N 2.57Å; Y406-I409 HydrophobicContact CD1-CD1 3.83Å; Y406-I409 HydrophobicContact CG-CD1 4.36Å; Y406-I409 WeakPolarHBondContact O-CG1 3.44Å; Y406-I409 PolarHBondContact O-N 3.17Å; Y406-N418 HydrophobicContact CD1-CB 4.36Å; Y406-N418 HydrophobicContact CE1-CB 4.2Å; Y406-N418 WeakPolarHBondContact CE1-O 3Å; Y406-F422 HydrophobicContact CD1-CB 3.72Å; Y406-F422 HydrophobicContact CD2-CB 3.84Å; Y406-F422 HydrophobicContact CD2-CD2 4.03Å; Y406-F422 HydrophobicContact CD2-CG 4.34Å; Y406-F422 HydrophobicContact CE1-CB 3.95Å; Y406-F422 HydrophobicContact CE2-CB 4.02Å; Y406-F422 HydrophobicContact CG-CB 3.69Å; Y406-F422 HydrophobicContact CG-CD2 4.33Å; Y406-F422 HydrophobicContact CG-CG 4.27Å; Y406-T490 WeakPolarHBondContact O-CG2 3.24Å
407	L	93.5	Very high	91.8	Very high	90 Å²	90	52 Å²	52	47%	0.471	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	128.1	-176	-164.9	77.7	0	0	0	111.6	G403 I409 M489	G403-L407 PolarHBondContact O-N 2.58Å; L407-I409 VanDerWaalsContact C-N 3.31Å; L407-I409 PolarHBondContact O-N 3.29Å; L407-M489 WeakPolarHBondContact CD1-O 3.41Å
408	N	90.4	Very high	91.6	Very high	73 Å²	73	52.3 Å²	52.3	39%	0.39	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	37.6	174.3	-58.2	5.5	0	0	0	114.7	Y406 M489 E491	Y406-N408 PolarHBondContact O-N 2.57Å; N408-M489 PolarHBondContact N-O 3.12Å; N408-E491 HydrophobicContact CB-CG 4.34Å; N408-E491 VanDerWaalsContact CB-OE2 3.27Å; N408-E491 WeakPolarHBondContact CB-OE2 3.24Å; N408-E491 VanDerWaalsContact CG-OE2 3.24Å; N408-E491 PolarHBondContact ND2-OE1 3.07Å; N408-E491 WeakPolarHBondContact OD1-CG 2.94Å; N408-E491 PolarHBondContact OD1-OE1 3.16Å; N408-E491 VanDerWaalsContact OD1-OE1 3.12Å
409	I	89.5	Confident	91.4	Very high	16 Å²	16	49.8 Å²	49.8	8%	0.082	26%	0.258	C	S	.	.			trans	-97.9	-20.4	-179.2	-67.7	-177.2	0	0	0	112.5	Y406 L407 N411 D412 K415 N418 N419 T490	Y406-I409 HydrophobicContact CD1-CD1 3.83Å; Y406-I409 HydrophobicContact CG-CD1 4.36Å; Y406-I409 WeakPolarHBondContact O-CG1 3.44Å; Y406-I409 PolarHBondContact O-N 3.17Å; L407-I409 VanDerWaalsContact C-N 3.31Å; L407-I409 PolarHBondContact O-N 3.29Å; I409-N411 VanDerWaalsContact C-N 3.3Å; I409-N411 PolarHBondContact O-N 3.31Å; I409-N411 VanDerWaalsContact O-N 3.17Å; I409-D412 PolarHBondContact O-N 3.31Å; I409-K415 HydrophobicContact CD1-CD 4.31Å; I409-K415 HydrophobicContact CG1-CD 3.97Å; I409-K415 HydrophobicContact CG2-CB 3.8Å; I409-N418 HydrophobicContact CD1-CB 4.36Å; I409-N418 HydrophobicContact CG2-CB 4.34Å; I409-N419 HydrophobicContact CG2-CB 3.85Å; I409-T490 PolarHBondContact N-O 2.99Å
410	G	86.5	Confident	91.2	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-30.3	-167.7	0	0	0	0	0	115.6	T490 R583	G410-T490 WeakPolarHBondContact CA-O 3.34Å; G410-T490 PolarHBondContact N-O 2.9Å; G410-R583 PolarHBondContact O-NH2 2.94Å
411	N	87	Confident	91	Very high	51 Å²	51	47.5 Å²	47.5	27%	0.273	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-0.4	-179.2	-70.3	-36	0	0	0	114.6	I409 E491 R583 E587	I409-N411 VanDerWaalsContact C-N 3.3Å; I409-N411 PolarHBondContact O-N 3.31Å; I409-N411 VanDerWaalsContact O-N 3.17Å; N411-E491 PolarHBondContact ND2-O 3.43Å; N411-R583 PolarHBondContact OD1-NH2 2.9Å; N411-E587 PolarHBondContact O-N 3.31Å
412	D	88.6	Confident	91	Very high	19 Å²	19	42.3 Å²	42.3	10%	0.102	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-88.8	113.7	-176	-174.8	-14.7	0	0	0	111.6	I409 S414 K415 P589	I409-D412 PolarHBondContact O-N 3.31Å; D412-S414 VanDerWaalsContact CG-OG 3.28Å; D412-S414 PolarHBondContact O-N 2.92Å; D412-S414 WeakPolarHBondContact OD1-CB 3.29Å; D412-S414 PolarHBondContact OD1-N 3.23Å; D412-S414 PolarHBondContact OD1-OG 3.48Å; D412-S414 PolarHBondContact OD2-OG 3.25Å; D412-K415 HydrophobicContact CB-CB 4.4Å; D412-K415 PolarHBondContact O-N 3.46Å; D412-K415 WeakPolarHBondContact OD2-CD 3.2Å; D412-K415 VanDerWaalsContact OD2-CE 3.31Å; D412-K415 WeakPolarHBondContact OD2-CE 3.4Å; D412-K415 IonicContact OD2-NZ 2.73Å; D412-K415 PolarHBondContact OD2-NZ 2.84Å; D412-P589 WeakPolarHBondContact OD1-CD 3.38Å
413	A	86.2	Confident	90.9	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.017	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-64.7	-23.2	-178.8	0	0	0	0	0	113.7	K415 V416 L586 E587 C588 C593	A413-K415 VanDerWaalsContact C-N 3.35Å; A413-V416 WeakPolarHBondContact O-CG2 3.32Å; A413-L586 HydrophobicContact CB-CB 3.75Å; A413-E587 WeakPolarHBondContact CB-O 3.44Å; A413-E587 PolarHBondContact N-O 3.07Å; A413-C588 HydrophobicContact CB-CB 4.36Å; A413-C593 HydrophobicContact CB-CB 3.78Å
414	S	86.8	Confident	90.9	Very high	49 Å²	49	41.2 Å²	41.2	34%	0.343	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-76.7	-24	178.2	70.2	0	0	0	0	112.5	D412	D412-S414 VanDerWaalsContact CG-OG 3.28Å; D412-S414 PolarHBondContact O-N 2.92Å; D412-S414 WeakPolarHBondContact OD1-CB 3.29Å; D412-S414 PolarHBondContact OD1-N 3.23Å; D412-S414 PolarHBondContact OD1-OG 3.48Å; D412-S414 PolarHBondContact OD2-OG 3.25Å
415	K	89	Confident	90.8	Very high	83 Å²	83	40.4 Å²	40.4	36%	0.361	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-110	20.1	-172.6	-63.3	179.4	-168.2	126.4	0	113.7	I409 D412 A413 F417 N418 N419	I409-K415 HydrophobicContact CD1-CD 4.31Å; I409-K415 HydrophobicContact CG1-CD 3.97Å; I409-K415 HydrophobicContact CG2-CB 3.8Å; D412-K415 HydrophobicContact CB-CB 4.4Å; D412-K415 PolarHBondContact O-N 3.46Å; D412-K415 WeakPolarHBondContact OD2-CD 3.2Å; D412-K415 VanDerWaalsContact OD2-CE 3.31Å; D412-K415 WeakPolarHBondContact OD2-CE 3.4Å; D412-K415 IonicContact OD2-NZ 2.73Å; D412-K415 PolarHBondContact OD2-NZ 2.84Å; A413-K415 VanDerWaalsContact C-N 3.35Å; K415-F417 VanDerWaalsContact C-N 3.3Å; K415-F417 PolarHBondContact O-N 3.38Å; K415-N418 HydrophobicContact CB-CB 4.45Å; K415-N418 WeakPolarHBondContact O-CA 3.29Å; K415-N418 WeakPolarHBondContact O-CB 3.48Å; K415-N418 PolarHBondContact O-N 3.32Å; K415-N419 PolarHBondContact O-N 3.32Å
416	V	89	Confident	90.8	Very high	3 Å²	3	35 Å²	35	2%	0.018	18%	0.176	C	C	.	.	H	α-helix	trans	-53.9	-42.5	-178.4	169.3	0	0	0	0	112.9	A413 N418 N419 T420 L586 F595 V601	A413-V416 WeakPolarHBondContact O-CG2 3.32Å; V416-N418 VanDerWaalsContact C-N 3.3Å; V416-N418 PolarHBondContact O-N 2.99Å; V416-N419 WeakPolarHBondContact O-CB 2.93Å; V416-N419 PolarHBondContact O-N 2.84Å; V416-N419 VanDerWaalsContact O-N 3.16Å; V416-T420 PolarHBondContact O-N 3.47Å; V416-T420 PolarHBondContact O-OG1 2.85Å; V416-T420 VanDerWaalsContact O-OG1 3.11Å; V416-L586 HydrophobicContact CG2-CD2 4.25Å; V416-F595 HydrophobicContact CB-CB 4.24Å; V416-F595 HydrophobicContact CB-CD2 4.49Å; V416-F595 HydrophobicContact CB-CG 4.48Å; V416-F595 HydrophobicContact CG1-CB 4.46Å; V416-F595 HydrophobicContact CG2-CB 3.81Å; V416-V601 HydrophobicContact CG1-CB 4.28Å; V416-V601 HydrophobicContact CG1-CG1 3.56Å; V416-V601 HydrophobicContact CG1-CG2 3.67Å; V416-V601 HydrophobicContact CG2-CG2 4.43Å
417	F	88.9	Confident	90.8	Very high	126 Å²	126	33.5 Å²	33.5	55%	0.553	17%	0.17	S	C	*	.	H	α-helix	trans	-60.6	-38.9	176.2	-74.5	-71.6	0	0	0	112.9	K415 T420 G421 F595 L604	K415-F417 VanDerWaalsContact C-N 3.3Å; K415-F417 PolarHBondContact O-N 3.38Å; F417-T420 PolarHBondContact O-N 2.92Å; F417-G421 PolarHBondContact O-N 3.47Å; F417-F595 HydrophobicContact CD2-CE2 4.33Å; F417-F595 AromaticContact CE2-CE2 3.57Å; F417-F595 HydrophobicContact CE2-CE2 3.57Å; F417-F595 AromaticContact CE2-CZ 3.94Å; F417-F595 HydrophobicContact CE2-CZ 3.94Å; F417-F595 HydrophobicContact CZ-CE2 4.1Å; F417-F595 AromaticContact CZ-CZ 3.97Å; F417-F595 HydrophobicContact CZ-CZ 3.97Å; F417-L604 HydrophobicContact CE1-CD2 3.58Å; F417-L604 HydrophobicContact CZ-CD2 3.57Å
418	N	91.3	Very high	90.8	Very high	87 Å²	87	31.2 Å²	31.2	47%	0.465	16%	0.158	S	C	.	.	H	α-helix	trans	-68.4	-39	176.3	-65	-22.2	0	0	0	110.6	Y406 I409 K415 V416 G421 F422	Y406-N418 HydrophobicContact CD1-CB 4.36Å; Y406-N418 HydrophobicContact CE1-CB 4.2Å; Y406-N418 WeakPolarHBondContact CE1-O 3Å; I409-N418 HydrophobicContact CD1-CB 4.36Å; I409-N418 HydrophobicContact CG2-CB 4.34Å; K415-N418 HydrophobicContact CB-CB 4.45Å; K415-N418 WeakPolarHBondContact O-CA 3.29Å; K415-N418 WeakPolarHBondContact O-CB 3.48Å; K415-N418 PolarHBondContact O-N 3.32Å; V416-N418 VanDerWaalsContact C-N 3.3Å; V416-N418 PolarHBondContact O-N 2.99Å; N418-G421 PolarHBondContact O-N 3.42Å; N418-F422 WeakPolarHBondContact O-CB 3.06Å; N418-F422 PolarHBondContact O-N 3.48Å
419	N	92.4	Very high	91	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-63.3	-44.9	174.6	-163.8	32.6	0	0	0	111.6	I409 K415 V416 G421 F422 L423 Q492 Y579	I409-N419 HydrophobicContact CG2-CB 3.85Å; K415-N419 PolarHBondContact O-N 3.32Å; V416-N419 WeakPolarHBondContact O-CB 2.93Å; V416-N419 PolarHBondContact O-N 2.84Å; V416-N419 VanDerWaalsContact O-N 3.16Å; N419-G421 VanDerWaalsContact C-N 3.32Å; N419-G421 PolarHBondContact O-N 3.45Å; N419-F422 VanDerWaalsContact O-CB 3.3Å; N419-F422 WeakPolarHBondContact O-CB 3.34Å; N419-F422 PolarHBondContact O-N 3.25Å; N419-L423 WeakPolarHBondContact O-CG 3.4Å; N419-L423 PolarHBondContact O-N 3.02Å; N419-Q492 PolarHBondContact OD1-NE2 3.29Å; N419-Y579 WeakPolarHBondContact CB-OH 3.31Å; N419-Y579 PolarHBondContact ND2-OH 2.87Å
420	T	91.3	Very high	91.3	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.025	14%	0.142	C	C	.	.	H	α-helix	trans	-61.1	-41.7	175.2	-60.2	0	0	0	0	111.4	V416 F417 L423 F424 F547 F571 I575 L605	V416-T420 PolarHBondContact O-N 3.47Å; V416-T420 PolarHBondContact O-OG1 2.85Å; V416-T420 VanDerWaalsContact O-OG1 3.11Å; F417-T420 PolarHBondContact O-N 2.92Å; T420-L423 PolarHBondContact O-N 3.05Å; T420-F424 PolarHBondContact O-N 2.82Å; T420-F424 VanDerWaalsContact O-N 3.07Å; T420-F547 HydrophobicContact CG2-CD2 4.14Å; T420-F547 HydrophobicContact CG2-CE2 4.11Å; T420-F571 HydrophobicContact CG2-CE2 4.39Å; T420-F571 HydrophobicContact CG2-CZ 3.71Å; T420-I575 HydrophobicContact CG2-CD1 3.95Å; T420-L605 HydrophobicContact CG2-CD1 3.77Å; T420-L605 HydrophobicContact CG2-CD2 4.16Å
421	G	92.6	Very high	91.7	Very high	6 Å²	6	28.3 Å²	28.3	6%	0.062	14%	0.142	C	C	.	.	H	α-helix	trans	-60.8	-43.2	172.5	0	0	0	0	0	112.8	F417 N418 N419 L423 F424 F425	F417-G421 PolarHBondContact O-N 3.47Å; N418-G421 PolarHBondContact O-N 3.42Å; N419-G421 VanDerWaalsContact C-N 3.32Å; N419-G421 PolarHBondContact O-N 3.45Å; G421-L423 PolarHBondContact O-N 3.13Å; G421-F424 PolarHBondContact O-N 3.41Å; G421-F425 WeakPolarHBondContact O-CD2 3.21Å; G421-F425 PolarHBondContact O-N 3.37Å
422	F	94.5	Very high	92	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	14%	0.141	C	C	.	.	H	α-helix	trans	-56	-48.3	173.8	152.8	-108.9	0	0	0	112.3	I402 Y406 N418 N419 F424 F425 S426 V486 T490	I402-F422 HydrophobicContact CG2-CD2 3.6Å; I402-F422 HydrophobicContact CG2-CE2 3.79Å; Y406-F422 HydrophobicContact CD1-CB 3.72Å; Y406-F422 HydrophobicContact CD2-CB 3.84Å; Y406-F422 HydrophobicContact CD2-CD2 4.03Å; Y406-F422 HydrophobicContact CD2-CG 4.34Å; Y406-F422 HydrophobicContact CE1-CB 3.95Å; Y406-F422 HydrophobicContact CE2-CB 4.02Å; Y406-F422 HydrophobicContact CG-CB 3.69Å; Y406-F422 HydrophobicContact CG-CD2 4.33Å; Y406-F422 HydrophobicContact CG-CG 4.27Å; N418-F422 WeakPolarHBondContact O-CB 3.06Å; N418-F422 PolarHBondContact O-N 3.48Å; N419-F422 VanDerWaalsContact O-CB 3.3Å; N419-F422 WeakPolarHBondContact O-CB 3.34Å; N419-F422 PolarHBondContact O-N 3.25Å; F422-F424 VanDerWaalsContact C-N 3.32Å; F422-F424 PolarHBondContact O-N 3.46Å; F422-F425 PolarHBondContact O-N 3.26Å; F422-S426 WeakPolarHBondContact CD2-OG 3.38Å; F422-S426 WeakPolarHBondContact CE2-OG 3.38Å; F422-S426 WeakPolarHBondContact O-CB 3.37Å; F422-S426 PolarHBondContact O-N 3.16Å; F422-S426 PolarHBondContact O-OG 2.63Å; F422-V486 HydrophobicContact CE2-CB 3.79Å; F422-V486 HydrophobicContact CE2-CG1 4.38Å; F422-V486 HydrophobicContact CE2-CG2 4.11Å; F422-V486 HydrophobicContact CZ-CB 3.91Å; F422-V486 HydrophobicContact CZ-CG2 3.95Å; F422-T490 HydrophobicContact CD1-CG2 4.42Å; F422-T490 HydrophobicContact CD2-CG2 4.18Å; F422-T490 HydrophobicContact CE1-CG2 4.12Å; F422-T490 HydrophobicContact CE2-CG2 3.9Å; F422-T490 HydrophobicContact CG-CG2 4.44Å; F422-T490 HydrophobicContact CZ-CG2 3.86Å
423	L	94	Very high	92.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.9	-41.3	180	-64.3	172.4	0	0	0	111.5	N419 T420 G421 S426 M427 F502 F571 V574 I575 I578 Y579	N419-L423 WeakPolarHBondContact O-CG 3.4Å; N419-L423 PolarHBondContact O-N 3.02Å; T420-L423 PolarHBondContact O-N 3.05Å; G421-L423 PolarHBondContact O-N 3.13Å; L423-S426 PolarHBondContact O-N 3.3Å; L423-M427 WeakPolarHBondContact O-CG 3.47Å; L423-M427 PolarHBondContact O-N 3.36Å; L423-M427 VanDerWaalsContact O-N 3.16Å; L423-F502 HydrophobicContact CD2-CD2 4.48Å; L423-F502 HydrophobicContact CD2-CE2 3.84Å; L423-F571 HydrophobicContact CB-CE2 4.4Å; L423-V574 HydrophobicContact CB-CG1 3.95Å; L423-V574 HydrophobicContact CD1-CG1 4.12Å; L423-V574 HydrophobicContact CD2-CG1 3.8Å; L423-V574 HydrophobicContact CG-CG1 4.15Å; L423-I575 HydrophobicContact CD1-CD1 3.63Å; L423-I578 HydrophobicContact CD1-CD1 3.52Å; L423-I578 HydrophobicContact CD2-CD1 3.18Å; L423-I578 HydrophobicContact CG-CD1 3.96Å; L423-Y579 HydrophobicContact CD1-CE2 4.43Å
424	F	93.6	Very high	92.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64	-49.6	175.2	-179.7	-104	0	0	0	112.3	T420 G421 F422 S426 M427 L428 L542 S545 F547 F548 F571	T420-F424 PolarHBondContact O-N 2.82Å; T420-F424 VanDerWaalsContact O-N 3.07Å; G421-F424 PolarHBondContact O-N 3.41Å; F422-F424 VanDerWaalsContact C-N 3.32Å; F422-F424 PolarHBondContact O-N 3.46Å; F424-S426 VanDerWaalsContact C-N 3.26Å; F424-S426 PolarHBondContact O-N 3.31Å; F424-M427 PolarHBondContact O-N 3.29Å; F424-M427 VanDerWaalsContact O-N 3.17Å; F424-L428 HydrophobicContact CE1-CD1 3.9Å; F424-L428 HydrophobicContact CZ-CD1 4.25Å; F424-L428 WeakPolarHBondContact O-CB 3.41Å; F424-L428 PolarHBondContact O-N 3.22Å; F424-L542 HydrophobicContact CZ-CD2 4.21Å; F424-S545 WeakPolarHBondContact CE2-OG 3.3Å; F424-F547 HydrophobicContact CB-CB 4.37Å; F424-F547 HydrophobicContact CB-CD1 4.25Å; F424-F547 HydrophobicContact CB-CD2 3.82Å; F424-F547 HydrophobicContact CB-CE2 4.15Å; F424-F547 HydrophobicContact CB-CG 3.88Å; F424-F547 HydrophobicContact CD1-CB 4.41Å; F424-F547 AromaticContact CD1-CD1 3.46Å; F424-F547 HydrophobicContact CD1-CD1 3.46Å; F424-F547 VanDerWaalsContact CD1-CD1 3.46Å; F424-F547 AromaticContact CD1-CE1 3.79Å; F424-F547 HydrophobicContact CD1-CE1 3.79Å; F424-F547 AromaticContact CD1-CG 3.89Å; F424-F547 HydrophobicContact CD1-CG 3.89Å; F424-F547 HydrophobicContact CD1-CZ 4.47Å; F424-F547 HydrophobicContact CD2-CB 3.49Å; F424-F547 VanDerWaalsContact CD2-CB 3.49Å; F424-F547 HydrophobicContact CD2-CD1 4.13Å; F424-F547 HydrophobicContact CD2-CD2 4.5Å; F424-F547 AromaticContact CD2-CG 3.79Å; F424-F547 HydrophobicContact CD2-CG 3.79Å; F424-F547 AromaticContact CE1-CD1 3.78Å; F424-F547 HydrophobicContact CE1-CD1 3.78Å; F424-F547 HydrophobicContact CE1-CE1 4.3Å; F424-F547 HydrophobicContact CE1-CG 4.41Å; F424-F547 HydrophobicContact CE2-CB 3.83Å; F424-F547 HydrophobicContact CE2-CD1 4.42Å; F424-F547 HydrophobicContact CE2-CG 4.35Å; F424-F547 HydrophobicContact CG-CB 3.82Å; F424-F547 AromaticContact CG-CD1 3.66Å; F424-F547 HydrophobicContact CG-CD1 3.66Å; F424-F547 HydrophobicContact CG-CD2 4.03Å; F424-F547 HydrophobicContact CG-CE1 4.23Å; F424-F547 AromaticContact CG-CG 3.54Å; F424-F547 HydrophobicContact CG-CG 3.54Å; F424-F547 HydrophobicContact CZ-CB 4.41Å; F424-F547 HydrophobicContact CZ-CD1 4.25Å; F424-F548 HydrophobicContact CE1-CD2 4.38Å; F424-F548 AromaticContact CE1-CE2 3.49Å; F424-F548 HydrophobicContact CE1-CE2 3.49Å; F424-F548 VanDerWaalsContact CE1-CE2 3.49Å; F424-F548 AromaticContact CE1-CZ 3.8Å; F424-F548 HydrophobicContact CE1-CZ 3.8Å; F424-F548 HydrophobicContact CZ-CD2 4.11Å; F424-F548 AromaticContact CZ-CE2 3.52Å; F424-F548 HydrophobicContact CZ-CE2 3.52Å; F424-F548 HydrophobicContact CZ-CZ 4.3Å; F424-F571 HydrophobicContact CB-CD2 4.09Å; F424-F571 HydrophobicContact CB-CE2 3.68Å; F424-F571 HydrophobicContact CB-CZ 4.37Å; F424-F571 HydrophobicContact CD2-CD2 4.13Å; F424-F571 HydrophobicContact CD2-CE2 4.35Å; F424-F571 HydrophobicContact CD2-CG 4.44Å
425	F	93.8	Very high	93	Very high	92 Å²	92	26.3 Å²	26.3	40%	0.404	13%	0.127	S	C	.	.	H	α-helix	trans	-62.9	-34.2	179	-78.5	-59.6	0	0	0	112.6	G421 F422 L428 F429	G421-F425 WeakPolarHBondContact O-CD2 3.21Å; G421-F425 PolarHBondContact O-N 3.37Å; F422-F425 PolarHBondContact O-N 3.26Å; F425-L428 PolarHBondContact O-N 3.38Å; F425-F429 WeakPolarHBondContact O-CB 3.27Å; F425-F429 PolarHBondContact O-N 3.35Å
426	S	94.1	Very high	93.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.7	-45.4	174.3	-62.4	0	0	0	0	111.6	F422 L423 F424 F429 L430 Y482	F422-S426 WeakPolarHBondContact CD2-OG 3.38Å; F422-S426 WeakPolarHBondContact CE2-OG 3.38Å; F422-S426 WeakPolarHBondContact O-CB 3.37Å; F422-S426 PolarHBondContact O-N 3.16Å; F422-S426 PolarHBondContact O-OG 2.63Å; L423-S426 PolarHBondContact O-N 3.3Å; F424-S426 VanDerWaalsContact C-N 3.26Å; F424-S426 PolarHBondContact O-N 3.31Å; S426-F429 PolarHBondContact O-N 2.97Å; S426-L430 WeakPolarHBondContact O-CG 3.22Å; S426-L430 PolarHBondContact O-N 3.3Å; S426-L430 VanDerWaalsContact O-N 3.15Å; S426-Y482 VanDerWaalsContact CA-OH 3.29Å; S426-Y482 WeakPolarHBondContact CA-OH 3.25Å; S426-Y482 WeakPolarHBondContact CB-OH 3.12Å; S426-Y482 PolarHBondContact OG-OH 3.12Å
427	M	93.1	Very high	93.3	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-67.4	-39.8	175.9	-67.5	-64.1	-85.7	0	0	112.3	L423 F424 L430 M431 S506 T509 V574	L423-M427 WeakPolarHBondContact O-CG 3.47Å; L423-M427 PolarHBondContact O-N 3.36Å; L423-M427 VanDerWaalsContact O-N 3.16Å; F424-M427 PolarHBondContact O-N 3.29Å; F424-M427 VanDerWaalsContact O-N 3.17Å; M427-L430 PolarHBondContact O-N 2.81Å; M427-M431 WeakPolarHBondContact O-CB 3.39Å; M427-M431 PolarHBondContact O-N 2.96Å; M427-S506 PolarHBondContact SD-OG 3.47Å; M427-S506 VanDerWaalsContact SD-OG 3.34Å; M427-T509 HydrophobicContact CE-CG2 3.82Å; M427-T509 WeakPolarHBondContact CE-OG1 3.3Å; M427-V574 HydrophobicContact CE-CG2 4.18Å; M427-V574 HydrophobicContact CG-CG2 4.5Å; M427-V574 HydrophobicContact SD-CG2 4.09Å
428	L	93.9	Very high	93.5	Very high	42 Å²	42	20 Å²	20	22%	0.22	10%	0.103	C	C	.	.	H	α-helix	trans	-60.3	-45.8	176.2	-177.4	153.2	0	0	0	111.4	F424 F425 M431 F432 L542	F424-L428 HydrophobicContact CE1-CD1 3.9Å; F424-L428 HydrophobicContact CZ-CD1 4.25Å; F424-L428 WeakPolarHBondContact O-CB 3.41Å; F424-L428 PolarHBondContact O-N 3.22Å; F425-L428 PolarHBondContact O-N 3.38Å; L428-M431 PolarHBondContact O-N 3.43Å; L428-F432 HydrophobicContact CD2-CD2 3.74Å; L428-F432 HydrophobicContact CD2-CE2 3.98Å; L428-F432 HydrophobicContact CG-CD2 4.07Å; L428-F432 HydrophobicContact CG-CE2 4.07Å; L428-F432 WeakPolarHBondContact O-CD2 3.35Å; L428-F432 PolarHBondContact O-N 3.34Å; L428-F432 VanDerWaalsContact O-N 3.1Å; L428-L542 HydrophobicContact CB-CD2 4.46Å; L428-L542 HydrophobicContact CD1-CD1 3.96Å; L428-L542 HydrophobicContact CD1-CD2 4.16Å; L428-L542 HydrophobicContact CG-CD1 4.27Å; L428-L542 HydrophobicContact CG-CD2 4.2Å
429	F	95.1	Very high	93.6	Very high	26 Å²	26	15.9 Å²	15.9	11%	0.114	8%	0.082	C	C	.	.	H	α-helix	trans	-60.3	-51.3	177	169.3	-113.3	0	0	0	111.3	H395 I398 F425 S426 M431 F432 A433 Y482	H395-F429 HydrophobicContact CB-CE1 4.45Å; H395-F429 HydrophobicContact CB-CZ 4.46Å; H395-F429 AromaticContact CD2-CE1 3.75Å; H395-F429 AromaticContact CG-CZ 3.97Å; I398-F429 HydrophobicContact CB-CD2 4.42Å; I398-F429 HydrophobicContact CB-CE1 4.33Å; I398-F429 HydrophobicContact CB-CE2 4.06Å; I398-F429 HydrophobicContact CB-CZ 3.99Å; I398-F429 HydrophobicContact CD1-CD2 3.81Å; I398-F429 HydrophobicContact CD1-CE2 3.22Å; I398-F429 HydrophobicContact CD1-CZ 3.84Å; I398-F429 HydrophobicContact CG1-CE2 4.21Å; I398-F429 HydrophobicContact CG1-CZ 4.49Å; I398-F429 HydrophobicContact CG2-CD1 4.05Å; I398-F429 HydrophobicContact CG2-CD2 3.79Å; I398-F429 HydrophobicContact CG2-CE1 4.16Å; I398-F429 HydrophobicContact CG2-CE2 3.94Å; I398-F429 HydrophobicContact CG2-CG 3.86Å; I398-F429 HydrophobicContact CG2-CZ 4.11Å; F425-F429 WeakPolarHBondContact O-CB 3.27Å; F425-F429 PolarHBondContact O-N 3.35Å; S426-F429 PolarHBondContact O-N 2.97Å; F429-M431 VanDerWaalsContact C-N 3.27Å; F429-M431 PolarHBondContact O-N 3.18Å; F429-F432 PolarHBondContact O-N 2.98Å; F429-A433 HydrophobicContact CE2-CB 4.08Å; F429-A433 HydrophobicContact CZ-CB 4.16Å; F429-A433 WeakPolarHBondContact O-CB 3.25Å; F429-A433 PolarHBondContact O-N 3.22Å; F429-Y482 HydrophobicContact CD1-CD1 4.46Å; F429-Y482 AromaticContact CD1-CD2 3.81Å; F429-Y482 HydrophobicContact CD1-CD2 3.81Å; F429-Y482 HydrophobicContact CD1-CE1 4.22Å; F429-Y482 AromaticContact CD1-CE2 3.52Å; F429-Y482 HydrophobicContact CD1-CE2 3.52Å; F429-Y482 HydrophobicContact CD1-CG 4.27Å; F429-Y482 AromaticContact CD1-CZ 3.77Å; F429-Y482 AromaticContact CE1-CD2 3.61Å; F429-Y482 HydrophobicContact CE1-CD2 3.61Å; F429-Y482 AromaticContact CE1-CE2 3.77Å; F429-Y482 HydrophobicContact CE1-CE2 3.77Å; F429-Y482 HydrophobicContact CE1-CG 4.11Å
430	L	94.9	Very high	93.4	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.01	10%	0.1	C	C	.	.	H	α-helix	trans	-60.9	-36.1	179.9	-69.2	176.5	0	0	0	112.6	S426 M427 A434 P479 Y482	S426-L430 WeakPolarHBondContact O-CG 3.22Å; S426-L430 PolarHBondContact O-N 3.3Å; S426-L430 VanDerWaalsContact O-N 3.15Å; M427-L430 PolarHBondContact O-N 2.81Å; L430-A434 WeakPolarHBondContact O-CB 3.16Å; L430-A434 PolarHBondContact O-N 3.37Å; L430-A434 VanDerWaalsContact O-N 3.16Å; L430-P479 HydrophobicContact CD1-CB 4.44Å; L430-P479 HydrophobicContact CD2-CB 3.85Å; L430-P479 HydrophobicContact CD2-CG 4.12Å; L430-Y482 HydrophobicContact CD1-CD1 4.05Å; L430-Y482 HydrophobicContact CD1-CE1 4.23Å; L430-Y482 HydrophobicContact CD2-CD1 3.71Å; L430-Y482 HydrophobicContact CD2-CE1 4.32Å; L430-Y482 HydrophobicContact CD2-CG 4.15Å; L430-Y482 HydrophobicContact CG-CD1 3.96Å; L430-Y482 HydrophobicContact CG-CE1 4.1Å
431	M	94.9	Very high	93.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.5	-55	174.6	-175.6	-162.4	69.6	0	0	111.3	M427 L428 F429 A433 A434 L435 A513 A538 L542 Y566 V567	M427-M431 WeakPolarHBondContact O-CB 3.39Å; M427-M431 PolarHBondContact O-N 2.96Å; L428-M431 PolarHBondContact O-N 3.43Å; F429-M431 VanDerWaalsContact C-N 3.27Å; F429-M431 PolarHBondContact O-N 3.18Å; M431-A433 PolarHBondContact O-N 3.37Å; M431-A434 PolarHBondContact O-N 3.07Å; M431-L435 VanDerWaalsContact O-CB 3.23Å; M431-L435 WeakPolarHBondContact O-CB 3.5Å; M431-L435 PolarHBondContact O-N 3.05Å; M431-A513 HydrophobicContact CB-CB 4.39Å; M431-A513 HydrophobicContact CG-CB 3.8Å; M431-A538 HydrophobicContact CE-CB 4.05Å; M431-L542 HydrophobicContact CE-CD1 3.73Å; M431-L542 HydrophobicContact CE-CD2 3.67Å; M431-L542 HydrophobicContact CE-CG 3.75Å; M431-L542 HydrophobicContact SD-CD2 3.87Å; M431-L542 HydrophobicContact SD-CG 4.23Å; M431-Y566 HydrophobicContact CG-CE2 4.37Å; M431-Y566 VanDerWaalsContact CG-OH 3.3Å; M431-Y566 WeakPolarHBondContact CG-OH 3.35Å; M431-V567 HydrophobicContact CG-CG2 4.42Å; M431-V567 HydrophobicContact SD-CG2 3.63Å
432	F	94.4	Very high	93.3	Very high	58 Å²	58	20.3 Å²	20.3	25%	0.254	10%	0.104	S	C	.	.	H	α-helix	trans	-67.3	-36.8	-178.5	-82.3	-66.7	0	0	0	112.7	L428 F429 A434 L435 M436 A538 L542	L428-F432 HydrophobicContact CD2-CD2 3.74Å; L428-F432 HydrophobicContact CD2-CE2 3.98Å; L428-F432 HydrophobicContact CG-CD2 4.07Å; L428-F432 HydrophobicContact CG-CE2 4.07Å; L428-F432 WeakPolarHBondContact O-CD2 3.35Å; L428-F432 PolarHBondContact O-N 3.34Å; L428-F432 VanDerWaalsContact O-N 3.1Å; F429-F432 PolarHBondContact O-N 2.98Å; F432-A434 PolarHBondContact O-N 3.36Å; F432-L435 PolarHBondContact O-N 2.86Å; F432-M436 HydrophobicContact CD1-CE 3.6Å; F432-M436 HydrophobicContact CD1-CG 4.16Å; F432-M436 HydrophobicContact CE1-CE 3.6Å; F432-M436 PolarHBondContact O-N 2.93Å; F432-A538 HydrophobicContact CE1-CB 3.76Å; F432-A538 HydrophobicContact CZ-CB 3.92Å; F432-L542 HydrophobicContact CE2-CD1 3.66Å; F432-L542 HydrophobicContact CZ-CD1 3.92Å
433	A	94.1	Very high	93.2	Very high	19 Å²	19	21 Å²	21	16%	0.157	11%	0.109	C	C	.	.	H	α-helix	trans	-63.7	-29.7	177.6	0	0	0	0	0	112.7	F429 M431 P437	F429-A433 HydrophobicContact CE2-CB 4.08Å; F429-A433 HydrophobicContact CZ-CB 4.16Å; F429-A433 WeakPolarHBondContact O-CB 3.25Å; F429-A433 PolarHBondContact O-N 3.22Å; M431-A433 PolarHBondContact O-N 3.37Å; A433-P437 VanDerWaalsContact O-CD 3.25Å; A433-P437 WeakPolarHBondContact O-CD 3.49Å; A433-P437 VanDerWaalsContact O-CG 3.32Å; A433-P437 WeakPolarHBondContact O-CG 3.37Å
434	A	94.6	Very high	92.8	Very high	1 Å²	1	26 Å²	26	1%	0.008	14%	0.135	C	C	.	.	H	α-helix	trans	-84.7	-41.7	173.5	0	0	0	0	0	113	L430 M431 F432 T438 Q475 A510 A513 Q514	L430-A434 WeakPolarHBondContact O-CB 3.16Å; L430-A434 PolarHBondContact O-N 3.37Å; L430-A434 VanDerWaalsContact O-N 3.16Å; M431-A434 PolarHBondContact O-N 3.07Å; F432-A434 PolarHBondContact O-N 3.36Å; A434-T438 PolarHBondContact O-OG1 3.35Å; A434-Q475 VanDerWaalsContact CB-NE2 3.28Å; A434-A510 HydrophobicContact CB-CB 4.25Å; A434-A510 VanDerWaalsContact CB-O 3.29Å; A434-A510 WeakPolarHBondContact CB-O 3.48Å; A434-A513 HydrophobicContact CB-CB 4.15Å; A434-Q514 HydrophobicContact CB-CB 4.31Å
435	L	94.3	Very high	92.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-71	-55.2	-173.7	-177	72.3	0	0	0	112.4	M431 F432 T438 V439 A513 L516 G517 I520 A538	M431-L435 VanDerWaalsContact O-CB 3.23Å; M431-L435 WeakPolarHBondContact O-CB 3.5Å; M431-L435 PolarHBondContact O-N 3.05Å; F432-L435 PolarHBondContact O-N 2.86Å; L435-T438 PolarHBondContact O-N 3.46Å; L435-T438 PolarHBondContact O-OG1 3.16Å; L435-V439 HydrophobicContact CD1-CG2 4.38Å; L435-V439 HydrophobicContact CG-CG2 4.38Å; L435-V439 WeakPolarHBondContact O-CG2 3.48Å; L435-V439 PolarHBondContact O-N 3.08Å; L435-V439 VanDerWaalsContact O-N 3.12Å; L435-A513 WeakPolarHBondContact CD1-O 3.48Å; L435-L516 HydrophobicContact CD1-CB 4.03Å; L435-L516 HydrophobicContact CD1-CD2 4.16Å; L435-L516 HydrophobicContact CD1-CG 4.01Å; L435-G517 VanDerWaalsContact CD1-CA 3.49Å; L435-G517 VanDerWaalsContact CD1-N 3.31Å; L435-I520 HydrophobicContact CD1-CD1 4.49Å; L435-A538 HydrophobicContact CD2-CB 3.98Å
436	M	92.3	Very high	92.5	Very high	47 Å²	47	24.7 Å²	24.7	23%	0.232	13%	0.13	C	C	.	.	H	α-helix	trans	-66	-44.7	-168.1	-69	-61.8	166.4	0	0	114	F432 T438 V439 L440 P535	F432-M436 HydrophobicContact CD1-CE 3.6Å; F432-M436 HydrophobicContact CD1-CG 4.16Å; F432-M436 HydrophobicContact CE1-CE 3.6Å; F432-M436 PolarHBondContact O-N 2.93Å; M436-T438 VanDerWaalsContact C-N 3.25Å; M436-T438 PolarHBondContact O-N 2.89Å; M436-V439 PolarHBondContact O-N 3.38Å; M436-L440 WeakPolarHBondContact O-CG 3.24Å; M436-L440 PolarHBondContact O-N 2.9Å; M436-P535 HydrophobicContact CE-CB 4.26Å; M436-P535 HydrophobicContact CE-CG 3.58Å; M436-P535 HydrophobicContact SD-CG 4.48Å
437	P	91.6	Very high	92.3	Very high	28 Å²	28	26.1 Å²	26.1	18%	0.182	14%	0.14	C	C	.	.	H	α-helix	trans	-61.2	-35.5	178	-26.5	38	0	0	0	112.7	R391 A433 L440 T441	R391-P437 VanDerWaalsContact NH2-CB 3.29Å; A433-P437 VanDerWaalsContact O-CD 3.25Å; A433-P437 WeakPolarHBondContact O-CD 3.49Å; A433-P437 VanDerWaalsContact O-CG 3.32Å; A433-P437 WeakPolarHBondContact O-CG 3.37Å; P437-L440 PolarHBondContact O-N 3.43Å; P437-T441 WeakPolarHBondContact O-CG2 3.37Å; P437-T441 PolarHBondContact O-N 2.87Å; P437-T441 PolarHBondContact O-OG1 3.26Å; P437-T441 VanDerWaalsContact O-OG1 3.1Å
438	T	92.2	Very high	92.2	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.025	14%	0.142	C	C	.	.	H	α-helix	trans	-74	-34.8	-179.8	52.8	0	0	0	0	113.2	A434 L435 M436 L440 F442 Q514	A434-T438 PolarHBondContact O-OG1 3.35Å; L435-T438 PolarHBondContact O-N 3.46Å; L435-T438 PolarHBondContact O-OG1 3.16Å; M436-T438 VanDerWaalsContact C-N 3.25Å; M436-T438 PolarHBondContact O-N 2.89Å; T438-L440 PolarHBondContact O-N 3.37Å; T438-F442 VanDerWaalsContact O-CB 3.23Å; T438-F442 WeakPolarHBondContact O-CB 3.28Å; T438-F442 PolarHBondContact O-N 2.85Å; T438-F442 VanDerWaalsContact O-N 3.15Å; T438-Q514 HydrophobicContact CG2-CG 3.55Å
439	V	93.4	Very high	92.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-59.1	-35.5	172.3	170.2	0	0	0	0	111.6	L435 M436 P443 I520 A530	L435-V439 HydrophobicContact CD1-CG2 4.38Å; L435-V439 HydrophobicContact CG-CG2 4.38Å; L435-V439 WeakPolarHBondContact O-CG2 3.48Å; L435-V439 PolarHBondContact O-N 3.08Å; L435-V439 VanDerWaalsContact O-N 3.12Å; M436-V439 PolarHBondContact O-N 3.38Å; V439-P443 WeakPolarHBondContact O-CD 3.49Å; V439-P443 WeakPolarHBondContact O-CG 3.38Å; V439-I520 HydrophobicContact CG1-CG2 4.21Å; V439-I520 HydrophobicContact CG2-CB 4.25Å; V439-I520 HydrophobicContact CG2-CD1 4.47Å; V439-I520 HydrophobicContact CG2-CG2 4.24Å; V439-A530 VanDerWaalsContact CG1-C 3.43Å; V439-A530 HydrophobicContact CG1-CB 3.77Å; V439-A530 WeakPolarHBondContact CG1-O 3.3Å
440	L	89.7	Confident	91.9	Very high	74 Å²	74	24.4 Å²	24.4	39%	0.387	13%	0.132	S	C	.	.	H	α-helix	trans	-84.2	-42.4	-177.5	-65.6	173.7	0	0	0	113.4	M436 P437 T438 L527 T531	M436-L440 WeakPolarHBondContact O-CG 3.24Å; M436-L440 PolarHBondContact O-N 2.9Å; P437-L440 PolarHBondContact O-N 3.43Å; T438-L440 PolarHBondContact O-N 3.37Å; L440-L527 HydrophobicContact CB-CD1 4.45Å; L440-L527 HydrophobicContact CD2-CD1 3.84Å; L440-L527 HydrophobicContact CD2-CG 4.48Å; L440-L527 WeakPolarHBondContact O-CD1 3.42Å; L440-T531 HydrophobicContact CD2-CG2 4.4Å; L440-T531 WeakPolarHBondContact CD2-OG1 3.42Å
441	T	89.8	Confident	91.6	Very high	28 Å²	28	24.9 Å²	24.9	17%	0.172	13%	0.134	C	C	.	.	H	α-helix	trans	-82.6	-33.5	-173.2	61.1	0	0	0	0	113.1	L387 P437 L444 E445	L387-T441 HydrophobicContact CD1-CG2 3.62Å; P437-T441 WeakPolarHBondContact O-CG2 3.37Å; P437-T441 PolarHBondContact O-N 2.87Å; P437-T441 PolarHBondContact O-OG1 3.26Å; P437-T441 VanDerWaalsContact O-OG1 3.1Å; T441-L444 PolarHBondContact O-N 3.47Å; T441-E445 PolarHBondContact O-N 3.42Å; T441-E445 VanDerWaalsContact O-N 3.16Å
442	F	91.8	Very high	91.5	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.009	14%	0.136	C	C	.	.	H	α-helix	trans	-65.5	-40.7	-173.3	-171.9	-98.9	0	0	0	114.4	T438 L444 E445 M446 L518 A522	T438-F442 VanDerWaalsContact O-CB 3.23Å; T438-F442 WeakPolarHBondContact O-CB 3.28Å; T438-F442 PolarHBondContact O-N 2.85Å; T438-F442 VanDerWaalsContact O-N 3.15Å; F442-L444 VanDerWaalsContact C-N 3.26Å; F442-L444 PolarHBondContact O-N 3.04Å; F442-E445 PolarHBondContact O-N 2.95Å; F442-M446 HydrophobicContact CE1-CB 4.37Å; F442-M446 VanDerWaalsContact O-CB 3.29Å; F442-M446 WeakPolarHBondContact O-CB 3.43Å; F442-M446 PolarHBondContact O-N 3.39Å; F442-L518 HydrophobicContact CB-CD2 3.95Å; F442-L518 HydrophobicContact CD2-CD2 3.36Å; F442-L518 HydrophobicContact CE2-CD2 3.97Å; F442-L518 HydrophobicContact CG-CD2 3.69Å; F442-A522 HydrophobicContact CD1-CB 4.29Å; F442-A522 HydrophobicContact CE1-CB 3.6Å; F442-A522 HydrophobicContact CZ-CB 4.48Å
443	P	90.9	Very high	91.2	Very high	17 Å²	17	23.2 Å²	23.2	11%	0.11	13%	0.127	C	C	.	.	H	α-helix	trans	-58.3	-36.7	175	-26.1	35.2	0	0	0	113.5	V439 M446 S447 A530	V439-P443 WeakPolarHBondContact O-CD 3.49Å; V439-P443 WeakPolarHBondContact O-CG 3.38Å; P443-M446 PolarHBondContact O-N 3.3Å; P443-S447 PolarHBondContact O-N 2.89Å; P443-A530 HydrophobicContact CG-CB 4.41Å
444	L	87.4	Confident	90.9	Very high	103 Å²	103	22.9 Å²	22.9	54%	0.539	12%	0.123	S	C	.	.	H	α-helix	trans	-67.5	-47.7	177.1	-61.5	173.6	0	0	0	110.7	T441 F442 M446 S447	T441-L444 PolarHBondContact O-N 3.47Å; F442-L444 VanDerWaalsContact C-N 3.26Å; F442-L444 PolarHBondContact O-N 3.04Å; L444-M446 VanDerWaalsContact C-N 3.3Å; L444-M446 PolarHBondContact O-N 3.49Å; L444-S447 PolarHBondContact O-N 2.94Å; L444-S447 PolarHBondContact O-OG 3.36Å
445	E	89.8	Confident	90.5	Very high	46 Å²	46	23.6 Å²	23.6	22%	0.215	13%	0.126	C	C	.	.	H	α-helix	trans	-62.9	-36.7	175.2	-68.8	-177.8	-160.9	0	0	112.5	T441 F442 S447 V448 F449 K467	T441-E445 PolarHBondContact O-N 3.42Å; T441-E445 VanDerWaalsContact O-N 3.16Å; F442-E445 PolarHBondContact O-N 2.95Å; E445-S447 VanDerWaalsContact C-N 3.29Å; E445-S447 PolarHBondContact O-N 2.92Å; E445-V448 PolarHBondContact O-N 2.86Å; E445-F449 PolarHBondContact O-N 2.76Å; E445-K467 IonicContact OE1-NZ 2.65Å; E445-K467 PolarHBondContact OE1-NZ 3.42Å; E445-K467 WeakPolarHBondContact OE2-CE 3.35Å; E445-K467 IonicContact OE2-NZ 2.72Å; E445-K467 PolarHBondContact OE2-NZ 3.31Å
446	M	90.4	Very high	90.1	Very high	19 Å²	19	25.2 Å²	25.2	9%	0.094	13%	0.133	C	C	.	.	H	α-helix	trans	-61.1	-37.7	180	-179.2	-178.9	68.8	0	0	111.8	F442 P443 L444 V448 F449 M450 L634	F442-M446 HydrophobicContact CE1-CB 4.37Å; F442-M446 VanDerWaalsContact O-CB 3.29Å; F442-M446 WeakPolarHBondContact O-CB 3.43Å; F442-M446 PolarHBondContact O-N 3.39Å; P443-M446 PolarHBondContact O-N 3.3Å; L444-M446 VanDerWaalsContact C-N 3.3Å; L444-M446 PolarHBondContact O-N 3.49Å; M446-V448 VanDerWaalsContact C-N 3.34Å; M446-V448 PolarHBondContact O-N 2.76Å; M446-F449 WeakPolarHBondContact O-CB 3.39Å; M446-F449 PolarHBondContact O-N 3.49Å; M446-M450 HydrophobicContact CG-CE 4.25Å; M446-M450 HydrophobicContact CG-CG 4.41Å; M446-M450 WeakPolarHBondContact O-CG 3.23Å; M446-M450 PolarHBondContact O-N 3.04Å; M446-M450 HydrophobicContact SD-CE 4.35Å; M446-L634 HydrophobicContact CG-CD1 3.86Å; M446-L634 HydrophobicContact SD-CD1 3.89Å
447	S	88.8	Confident	90	Very high	30 Å²	30	23 Å²	23	21%	0.21	12%	0.122	C	C	.	.	H	α-helix	trans	-62.4	-40.6	178.2	70.1	0	0	0	0	112.5	M148 P443 L444 E445 M450 R451	M148-S447 VanDerWaalsContact CE-CB 3.5Å; M148-S447 WeakPolarHBondContact CE-OG 3.23Å; P443-S447 PolarHBondContact O-N 2.89Å; L444-S447 PolarHBondContact O-N 2.94Å; L444-S447 PolarHBondContact O-OG 3.36Å; E445-S447 VanDerWaalsContact C-N 3.29Å; E445-S447 PolarHBondContact O-N 2.92Å; S447-M450 PolarHBondContact O-N 3.45Å; S447-R451 PolarHBondContact O-N 3.1Å
448	V	92	Very high	90	Very high	8 Å²	8	21.7 Å²	21.7	5%	0.048	11%	0.113	C	C	.	.	H	α-helix	trans	-65.5	-44.7	174	-176.4	0	0	0	0	110.1	M148 L150 E445 M446 M450 R451 E452	M148-V448 HydrophobicContact CB-CG2 4Å; L150-V448 HydrophobicContact CD2-CB 4.4Å; L150-V448 HydrophobicContact CD2-CG1 4.16Å; L150-V448 HydrophobicContact CD2-CG2 4.32Å; L150-V448 HydrophobicContact CG-CG1 4.11Å; E445-V448 PolarHBondContact O-N 2.86Å; M446-V448 VanDerWaalsContact C-N 3.34Å; M446-V448 PolarHBondContact O-N 2.76Å; V448-M450 VanDerWaalsContact C-N 3.34Å; V448-M450 PolarHBondContact O-N 3.38Å; V448-R451 PolarHBondContact O-N 3.2Å; V448-E452 HydrophobicContact CG1-CG 4.31Å; V448-E452 WeakPolarHBondContact O-CG 3.15Å; V448-E452 PolarHBondContact O-N 2.93Å
449	F	92.9	Very high	89.9	Confident	1 Å²	1	22.1 Å²	22.1	0%	0.004	12%	0.116	C	C	.	.	H	α-helix	trans	-57.2	-44.7	175.5	163.2	-97	0	0	0	112.2	E445 M446 R451 E452 H453 Y458 L460 Y463 L634 V638	E445-F449 PolarHBondContact O-N 2.76Å; M446-F449 WeakPolarHBondContact O-CB 3.39Å; M446-F449 PolarHBondContact O-N 3.49Å; F449-R451 PolarHBondContact O-N 2.93Å; F449-E452 PolarHBondContact O-N 3.17Å; F449-H453 HydrophobicContact CD2-CB 4.5Å; F449-H453 HydrophobicContact CE1-CB 4.38Å; F449-H453 HydrophobicContact CE2-CB 3.97Å; F449-H453 HydrophobicContact CZ-CB 3.88Å; F449-H453 AromaticContact CZ-CG 3.94Å; F449-H453 WeakPolarHBondContact O-CB 3.36Å; F449-H453 PolarHBondContact O-N 3.47Å; F449-Y458 AromaticContact CD2-CE2 3.62Å; F449-Y458 HydrophobicContact CD2-CE2 3.62Å; F449-Y458 HydrophobicContact CE2-CD2 4.49Å; F449-Y458 AromaticContact CE2-CE2 3.68Å; F449-Y458 HydrophobicContact CE2-CE2 3.68Å; F449-L460 HydrophobicContact CE1-CD1 3.86Å; F449-L460 HydrophobicContact CE2-CD1 4.11Å; F449-L460 HydrophobicContact CZ-CB 4.23Å; F449-L460 HydrophobicContact CZ-CD1 3.31Å; F449-L460 HydrophobicContact CZ-CG 4.35Å; F449-Y463 HydrophobicContact CB-CE1 4.08Å; F449-Y463 HydrophobicContact CB-CE2 4.14Å; F449-Y463 HydrophobicContact CD1-CE1 4.47Å; F449-Y463 AromaticContact CD2-CD1 3.32Å; F449-Y463 HydrophobicContact CD2-CD1 3.32Å; F449-Y463 AromaticContact CD2-CD2 3.78Å; F449-Y463 HydrophobicContact CD2-CD2 3.78Å; F449-Y463 AromaticContact CD2-CE1 3.64Å; F449-Y463 HydrophobicContact CD2-CE1 3.64Å; F449-Y463 HydrophobicContact CD2-CE2 4.06Å; F449-Y463 AromaticContact CD2-CG 3.4Å; F449-Y463 HydrophobicContact CD2-CG 3.4Å; F449-Y463 VanDerWaalsContact CD2-CG 3.4Å; F449-Y463 AromaticContact CE2-CD1 3.6Å; F449-Y463 HydrophobicContact CE2-CD1 3.6Å; F449-Y463 HydrophobicContact CE2-CD2 4.49Å; F449-Y463 HydrophobicContact CE2-CE1 4.28Å; F449-Y463 AromaticContact CE2-CG 3.73Å; F449-Y463 HydrophobicContact CE2-CG 3.73Å; F449-Y463 AromaticContact CG-CD1 3.94Å; F449-Y463 HydrophobicContact CG-CD1 3.94Å; F449-Y463 AromaticContact CG-CE1 3.77Å; F449-Y463 HydrophobicContact CG-CE1 3.77Å; F449-Y463 HydrophobicContact CG-CE2 4.42Å; F449-Y463 HydrophobicContact CG-CG 4.34Å; F449-Y463 HydrophobicContact CZ-CD1 4.4Å; F449-L634 HydrophobicContact CD1-CD1 4.01Å; F449-L634 HydrophobicContact CD1-CD2 4.34Å; F449-L634 HydrophobicContact CD1-CG 4.46Å; F449-L634 HydrophobicContact CE1-CD1 3.9Å; F449-L634 HydrophobicContact CE1-CD2 4.01Å; F449-L634 HydrophobicContact CE1-CG 3.94Å; F449-L634 HydrophobicContact CZ-CD2 4.4Å; F449-V638 HydrophobicContact CE1-CG2 3.81Å; F449-V638 HydrophobicContact CZ-CG2 4.28Å
450	M	89.6	Confident	89.9	Confident	24 Å²	24	22.9 Å²	22.9	12%	0.118	12%	0.12	C	C	.	.	H	α-helix	trans	-59.8	-47.4	179.3	-74.3	-61.6	-178	0	0	111.1	M446 S447 V448 H453 L454 L634 R637 V638	M446-M450 HydrophobicContact CG-CE 4.25Å; M446-M450 HydrophobicContact CG-CG 4.41Å; M446-M450 WeakPolarHBondContact O-CG 3.23Å; M446-M450 PolarHBondContact O-N 3.04Å; M446-M450 HydrophobicContact SD-CE 4.35Å; S447-M450 PolarHBondContact O-N 3.45Å; V448-M450 VanDerWaalsContact C-N 3.34Å; V448-M450 PolarHBondContact O-N 3.38Å; M450-H453 PolarHBondContact O-N 3.03Å; M450-L454 VanDerWaalsContact O-CB 3.32Å; M450-L454 WeakPolarHBondContact O-CB 3.44Å; M450-L454 WeakPolarHBondContact O-CG 3.29Å; M450-L454 PolarHBondContact O-N 3.35Å; M450-L634 HydrophobicContact CE-CD1 3.95Å; M450-R637 HydrophobicContact CE-CB 3.47Å; M450-R637 VanDerWaalsContact CE-CB 3.47Å; M450-V638 HydrophobicContact CE-CG2 3.87Å; M450-V638 HydrophobicContact SD-CB 4.49Å; M450-V638 HydrophobicContact SD-CG2 3.6Å; M450-V638 VanDerWaalsContact SD-CG2 3.6Å
451	R	89.4	Confident	90	Very high	13 Å²	13	26.5 Å²	26.5	5%	0.049	13%	0.133	C	C	.	.	H	α-helix	trans	-57.9	-52.9	176	-176	-177.2	68.5	87.3	2.5	111.9	M144 M148 E211 S447 V448 F449 H453 L454 N455	M144-R451 HydrophobicContact SD-CB 4.17Å; M144-R451 HydrophobicContact SD-CG 4.26Å; M148-R451 PolarHBondContact O-NE 2.99Å; M148-R451 PolarHBondContact O-NH2 3.38Å; E211-R451 IonicContact OE1-NH1 2.87Å; S447-R451 PolarHBondContact O-N 3.1Å; V448-R451 PolarHBondContact O-N 3.2Å; F449-R451 PolarHBondContact O-N 2.93Å; R451-H453 VanDerWaalsContact C-N 3.34Å; R451-H453 PolarHBondContact O-N 2.88Å; R451-L454 PolarHBondContact O-N 3.15Å; R451-N455 PolarHBondContact O-N 3.27Å; R451-N455 VanDerWaalsContact O-N 3.09Å
452	E	91.5	Very high	90.2	Very high	8 Å²	8	25.4 Å²	25.4	4%	0.037	13%	0.126	C	C	.	.	H	α-helix	trans	-62.9	-39.5	-178.6	-68.8	178.3	163.3	0	0	111.9	R376 V448 F449 Y456 W457 Y458	R376-E452 IonicContact CZ-OE2 3.7Å; R376-E452 VanDerWaalsContact NH1-CD 3.31Å; R376-E452 IonicContact NH1-OE1 2.81Å; R376-E452 PolarHBondContact NH1-OE1 2.88Å; R376-E452 IonicContact NH1-OE2 3.95Å; R376-E452 PolarHBondContact NH1-OE2 3.45Å; R376-E452 IonicContact NH2-OE2 3.05Å; R376-E452 PolarHBondContact NH2-OE2 3.46Å; V448-E452 HydrophobicContact CG1-CG 4.31Å; V448-E452 WeakPolarHBondContact O-CG 3.15Å; V448-E452 PolarHBondContact O-N 2.93Å; F449-E452 PolarHBondContact O-N 3.17Å; E452-Y456 PolarHBondContact O-N 3.13Å; E452-W457 HydrophobicContact CB-CB 4.19Å; E452-W457 HydrophobicContact CB-CD2 4.03Å; E452-W457 HydrophobicContact CB-CE3 4.3Å; E452-W457 HydrophobicContact CB-CG 4Å; E452-W457 HydrophobicContact CG-CD2 3.94Å; E452-W457 HydrophobicContact CG-CE3 3.89Å; E452-W457 HydrophobicContact CG-CG 4.44Å; E452-W457 HydrophobicContact CG-CH2 4.48Å; E452-W457 HydrophobicContact CG-CZ3 4.17Å; E452-W457 VanDerWaalsContact O-CB 3.29Å; E452-W457 WeakPolarHBondContact O-CB 3.27Å; E452-W457 PolarHBondContact O-N 3.37Å; E452-Y458 HydrophobicContact CB-CE1 3.71Å; E452-Y458 HydrophobicContact CG-CE1 4.4Å; E452-Y458 WeakPolarHBondContact OE2-CE1 3.45Å; E452-Y458 VanDerWaalsContact OE2-CZ 3.23Å; E452-Y458 PolarHBondContact OE2-OH 3.36Å
453	H	89.4	Confident	90.3	Very high	15 Å²	15	25.6 Å²	25.6	7%	0.069	13%	0.127	C	C	.	.	H	α-helix	trans	-72.1	-39.6	179.6	-174.6	63.9	0	0	0	112.7	F449 M450 R451 N455 Y456 Y458 R642	F449-H453 HydrophobicContact CD2-CB 4.5Å; F449-H453 HydrophobicContact CE1-CB 4.38Å; F449-H453 HydrophobicContact CE2-CB 3.97Å; F449-H453 HydrophobicContact CZ-CB 3.88Å; F449-H453 AromaticContact CZ-CG 3.94Å; F449-H453 WeakPolarHBondContact O-CB 3.36Å; F449-H453 PolarHBondContact O-N 3.47Å; M450-H453 PolarHBondContact O-N 3.03Å; R451-H453 VanDerWaalsContact C-N 3.34Å; R451-H453 PolarHBondContact O-N 2.88Å; H453-N455 VanDerWaalsContact C-N 3.31Å; H453-Y456 PolarHBondContact O-N 3.12Å; H453-Y456 VanDerWaalsContact O-N 3.12Å; H453-Y458 PolarHBondContact ND1-O 2.78Å; H453-R642 PolarHBondContact NE2-NH2 3.32Å
454	L	86.4	Confident	90.5	Very high	12 Å²	12	25.9 Å²	25.9	6%	0.063	13%	0.127	C	C	.	.	H	α-helix	trans	-67.1	-32.6	176.6	-70.7	174.6	0	0	0	112.1	Y115 M450 R451 Y456 R642	Y115-L454 HydrophobicContact CE1-CB 4.03Å; Y115-L454 HydrophobicContact CE2-CD1 4.39Å; M450-L454 VanDerWaalsContact O-CB 3.32Å; M450-L454 WeakPolarHBondContact O-CB 3.44Å; M450-L454 WeakPolarHBondContact O-CG 3.29Å; M450-L454 PolarHBondContact O-N 3.35Å; R451-L454 PolarHBondContact O-N 3.15Å; L454-Y456 VanDerWaalsContact O-CD2 3.28Å; L454-Y456 WeakPolarHBondContact O-CD2 3.37Å; L454-Y456 PolarHBondContact O-N 3.49Å; L454-R642 HydrophobicContact CD2-CG 4.28Å
455	N	87.1	Confident	90.8	Very high	15 Å²	15	25.3 Å²	25.3	8%	0.08	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	14.2	170.9	-72.9	-23.9	0	0	0	113.9	Y115 Y142 E211 R451 H453 W457	Y115-N455 PolarHBondContact OH-OD1 2.86Å; Y115-N455 VanDerWaalsContact OH-OD1 3.08Å; Y142-N455 PolarHBondContact N-OD1 3.44Å; Y142-N455 VanDerWaalsContact N-OD1 3.08Å; Y142-N455 PolarHBondContact O-ND2 3.06Å; Y142-N455 PolarHBondContact O-OD1 3.24Å; E211-N455 PolarHBondContact OE1-ND2 2.99Å; R451-N455 PolarHBondContact O-N 3.27Å; R451-N455 VanDerWaalsContact O-N 3.09Å; H453-N455 VanDerWaalsContact C-N 3.31Å; N455-W457 PolarHBondContact O-N 3.1Å
456	Y	86.1	Confident	91.1	Very high	34 Å²	34	23.1 Å²	23.1	13%	0.133	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	33.8	174.7	-74.7	-102.9	0	0	0	116	R137 F362 E452 H453 L454	R137-Y456 HydrophobicContact CB-CD2 3.99Å; R137-Y456 HydrophobicContact CB-CE2 3.57Å; R137-Y456 WeakPolarHBondContact CD-OH 3.37Å; R137-Y456 HydrophobicContact CG-CE2 4.04Å; R137-Y456 PolarHBondContact NH1-OH 3.32Å; F362-Y456 WeakPolarHBondContact CD1-O 3.4Å; F362-Y456 HydrophobicContact CE1-CD1 4.02Å; F362-Y456 HydrophobicContact CZ-CD1 4.44Å; E452-Y456 PolarHBondContact O-N 3.13Å; H453-Y456 PolarHBondContact O-N 3.12Å; H453-Y456 VanDerWaalsContact O-N 3.12Å; L454-Y456 VanDerWaalsContact O-CD2 3.28Å; L454-Y456 WeakPolarHBondContact O-CD2 3.37Å; L454-Y456 PolarHBondContact O-N 3.49Å
457	W	89.1	Confident	91.2	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.008	11%	0.111	C	C	.	.	S	Bend	trans	-68.8	-42.3	176.3	-68.6	40.6	0	0	0	112.3	L165 L210 E211 E452 N455	L165-W457 HydrophobicContact CD1-CE3 3.97Å; L210-W457 HydrophobicContact CB-CH2 3.89Å; L210-W457 HydrophobicContact CB-CZ2 3.93Å; L210-W457 HydrophobicContact CD1-CH2 4.34Å; L210-W457 HydrophobicContact CD2-CH2 4.11Å; L210-W457 HydrophobicContact CG-CH2 4.34Å; E211-W457 WeakPolarHBondContact OE1-CZ2 3.47Å; E211-W457 PolarHBondContact OE1-NE1 3.02Å; E211-W457 PolarHBondContact OE2-NE1 3.03Å; E452-W457 HydrophobicContact CB-CB 4.19Å; E452-W457 HydrophobicContact CB-CD2 4.03Å; E452-W457 HydrophobicContact CB-CE3 4.3Å; E452-W457 HydrophobicContact CB-CG 4Å; E452-W457 HydrophobicContact CG-CD2 3.94Å; E452-W457 HydrophobicContact CG-CE3 3.89Å; E452-W457 HydrophobicContact CG-CG 4.44Å; E452-W457 HydrophobicContact CG-CH2 4.48Å; E452-W457 HydrophobicContact CG-CZ3 4.17Å; E452-W457 VanDerWaalsContact O-CB 3.29Å; E452-W457 WeakPolarHBondContact O-CB 3.27Å; E452-W457 PolarHBondContact O-N 3.37Å; N455-W457 PolarHBondContact O-N 3.1Å
458	Y	91.8	Very high	91.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-162.6	168.8	-176.7	52.6	-96.6	0	0	0	113	L165 F362 L373 F449 E452 H453 Y463	L165-Y458 HydrophobicContact CD1-CD1 3.92Å; L165-Y458 HydrophobicContact CD1-CE1 4.36Å; L165-Y458 HydrophobicContact CD2-CD1 4.41Å; F362-Y458 VanDerWaalsContact CE1-C 3.42Å; F362-Y458 WeakPolarHBondContact CE1-O 3.45Å; L373-Y458 HydrophobicContact CD1-CD1 4.22Å; L373-Y458 HydrophobicContact CD1-CD2 3.75Å; L373-Y458 HydrophobicContact CD1-CE2 4.17Å; L373-Y458 HydrophobicContact CD1-CG 3.77Å; L373-Y458 HydrophobicContact CD2-CD1 3.9Å; L373-Y458 HydrophobicContact CD2-CE1 3.76Å; L373-Y458 HydrophobicContact CD2-CE2 4.44Å; L373-Y458 HydrophobicContact CD2-CG 4.29Å; F449-Y458 AromaticContact CD2-CE2 3.62Å; F449-Y458 HydrophobicContact CD2-CE2 3.62Å; F449-Y458 HydrophobicContact CE2-CD2 4.49Å; F449-Y458 AromaticContact CE2-CE2 3.68Å; F449-Y458 HydrophobicContact CE2-CE2 3.68Å; E452-Y458 HydrophobicContact CB-CE1 3.71Å; E452-Y458 HydrophobicContact CG-CE1 4.4Å; E452-Y458 WeakPolarHBondContact OE2-CE1 3.45Å; E452-Y458 VanDerWaalsContact OE2-CZ 3.23Å; E452-Y458 PolarHBondContact OE2-OH 3.36Å; H453-Y458 PolarHBondContact ND1-O 2.78Å; Y458-Y463 AromaticContact CE2-CD2 3.96Å; Y458-Y463 HydrophobicContact CE2-CD2 3.96Å; Y458-Y463 AromaticContact CE2-CG 3.95Å; Y458-Y463 HydrophobicContact CE2-CG 3.95Å
459	S	91.3	Very high	91.5	Very high	13 Å²	13	25.8 Å²	25.8	9%	0.091	12%	0.124	C	C	.	.			trans	-79.5	145.1	177.9	69.1	0	0	0	0	113.4	Q369 K461 A462 Y463	Q369-S459 PolarHBondContact OE1-OG 3.06Å; Q369-S459 VanDerWaalsContact OE1-OG 3.09Å; S459-K461 PolarHBondContact O-N 2.83Å; S459-A462 PolarHBondContact O-N 2.85Å; S459-A462 WeakPolarHBondContact OG-CB 3.15Å; S459-A462 PolarHBondContact OG-N 3.4Å; S459-Y463 PolarHBondContact O-N 2.89Å
460	L	91.9	Very high	91.5	Very high	16 Å²	16	25.8 Å²	25.8	8%	0.084	12%	0.124	C	C	.	.	H	α-helix	trans	-52.9	-37.1	174.1	172.8	67.9	0	0	0	112.7	F449 F464 Y631 L634 R635	F449-L460 HydrophobicContact CE1-CD1 3.86Å; F449-L460 HydrophobicContact CE2-CD1 4.11Å; F449-L460 HydrophobicContact CZ-CB 4.23Å; F449-L460 HydrophobicContact CZ-CD1 3.31Å; F449-L460 HydrophobicContact CZ-CG 4.35Å; L460-F464 WeakPolarHBondContact O-CB 3.21Å; L460-F464 PolarHBondContact O-N 3.14Å; L460-F464 VanDerWaalsContact O-N 3.07Å; L460-Y631 HydrophobicContact CD2-CD2 4.49Å; L460-Y631 HydrophobicContact CD2-CE2 3.85Å; L460-Y631 HydrophobicContact CG-CD2 4.43Å; L460-Y631 HydrophobicContact CG-CE2 3.8Å; L460-L634 HydrophobicContact CD1-CB 4.29Å; L460-L634 HydrophobicContact CD1-CD2 3.39Å; L460-L634 HydrophobicContact CD1-CG 3.58Å; L460-R635 HydrophobicContact CD2-CB 3.74Å; L460-R635 HydrophobicContact CD2-CG 4.09Å
461	K	93.1	Very high	91.5	Very high	150 Å²	150	25.2 Å²	25.2	65%	0.652	12%	0.121	S	C	*	.	H	α-helix	trans	-64.1	-47.1	-179.3	-64.5	-179.2	-178.5	-176.9	0	111.9	S459 Y463 L465 Y631	S459-K461 PolarHBondContact O-N 2.83Å; K461-Y463 VanDerWaalsContact C-N 3.35Å; K461-Y463 PolarHBondContact O-N 3.09Å; K461-L465 WeakPolarHBondContact O-CB 3.28Å; K461-L465 PolarHBondContact O-N 3.35Å; K461-L465 VanDerWaalsContact O-N 3.16Å; K461-Y631 HydrophobicContact CG-CE2 4.27Å; K461-Y631 WeakPolarHBondContact CG-OH 3.4Å
462	A	93.6	Very high	91.6	Very high	5 Å²	5	27.3 Å²	27.3	4%	0.041	13%	0.133	C	C	.	.	H	α-helix	trans	-63.3	-42.2	-179.1	0	0	0	0	0	111.4	Q369 F370 L373 S459 A466	Q369-A462 HydrophobicContact CB-CB 3.77Å; F370-A462 HydrophobicContact CB-CB 4.42Å; L373-A462 HydrophobicContact CD1-CB 4.14Å; S459-A462 PolarHBondContact O-N 2.85Å; S459-A462 WeakPolarHBondContact OG-CB 3.15Å; S459-A462 PolarHBondContact OG-N 3.4Å; A462-A466 WeakPolarHBondContact O-CB 3.4Å; A462-A466 PolarHBondContact O-N 3.47Å
463	Y	94.3	Very high	91.6	Very high	6 Å²	6	29.4 Å²	29.4	2%	0.024	15%	0.147	C	C	.	.	H	α-helix	trans	-63.9	-51.1	177.4	171.4	-98	0	0	0	113.1	F449 Y458 S459 K461 L465 A466 K467 L634	F449-Y463 HydrophobicContact CB-CE1 4.08Å; F449-Y463 HydrophobicContact CB-CE2 4.14Å; F449-Y463 HydrophobicContact CD1-CE1 4.47Å; F449-Y463 AromaticContact CD2-CD1 3.32Å; F449-Y463 HydrophobicContact CD2-CD1 3.32Å; F449-Y463 AromaticContact CD2-CD2 3.78Å; F449-Y463 HydrophobicContact CD2-CD2 3.78Å; F449-Y463 AromaticContact CD2-CE1 3.64Å; F449-Y463 HydrophobicContact CD2-CE1 3.64Å; F449-Y463 HydrophobicContact CD2-CE2 4.06Å; F449-Y463 AromaticContact CD2-CG 3.4Å; F449-Y463 HydrophobicContact CD2-CG 3.4Å; F449-Y463 VanDerWaalsContact CD2-CG 3.4Å; F449-Y463 AromaticContact CE2-CD1 3.6Å; F449-Y463 HydrophobicContact CE2-CD1 3.6Å; F449-Y463 HydrophobicContact CE2-CD2 4.49Å; F449-Y463 HydrophobicContact CE2-CE1 4.28Å; F449-Y463 AromaticContact CE2-CG 3.73Å; F449-Y463 HydrophobicContact CE2-CG 3.73Å; F449-Y463 AromaticContact CG-CD1 3.94Å; F449-Y463 HydrophobicContact CG-CD1 3.94Å; F449-Y463 AromaticContact CG-CE1 3.77Å; F449-Y463 HydrophobicContact CG-CE1 3.77Å; F449-Y463 HydrophobicContact CG-CE2 4.42Å; F449-Y463 HydrophobicContact CG-CG 4.34Å; F449-Y463 HydrophobicContact CZ-CD1 4.4Å; Y458-Y463 AromaticContact CE2-CD2 3.96Å; Y458-Y463 HydrophobicContact CE2-CD2 3.96Å; Y458-Y463 AromaticContact CE2-CG 3.95Å; Y458-Y463 HydrophobicContact CE2-CG 3.95Å; S459-Y463 PolarHBondContact O-N 2.89Å; K461-Y463 VanDerWaalsContact C-N 3.35Å; K461-Y463 PolarHBondContact O-N 3.09Å; Y463-L465 VanDerWaalsContact C-N 3.3Å; Y463-L465 PolarHBondContact O-N 3.44Å; Y463-A466 PolarHBondContact O-N 3.42Å; Y463-K467 WeakPolarHBondContact O-CB 3.26Å; Y463-K467 PolarHBondContact O-N 3.47Å; Y463-L634 HydrophobicContact CD1-CD2 4.4Å; Y463-L634 HydrophobicContact CE1-CD2 4.29Å
464	F	94.4	Very high	91.5	Very high	24 Å²	24	30.7 Å²	30.7	11%	0.105	15%	0.153	C	C	.	.	H	α-helix	trans	-63.5	-38.8	-176	-173.8	-104.2	0	0	0	112.1	L460 T468 R627 T630 Y631	L460-F464 WeakPolarHBondContact O-CB 3.21Å; L460-F464 PolarHBondContact O-N 3.14Å; L460-F464 VanDerWaalsContact O-N 3.07Å; F464-T468 WeakPolarHBondContact O-CB 3.47Å; F464-T468 PolarHBondContact O-N 3.2Å; F464-T468 PolarHBondContact O-OG1 2.9Å; F464-R627 HydrophobicContact CE1-CB 4.49Å; F464-R627 HydrophobicContact CZ-CB 4.37Å; F464-R627 WeakPolarHBondContact CZ-O 3.42Å; F464-T630 HydrophobicContact CE2-CG2 3.75Å; F464-T630 HydrophobicContact CZ-CG2 4.29Å; F464-Y631 HydrophobicContact CB-CD2 4.15Å; F464-Y631 AromaticContact CD1-CD2 3.96Å; F464-Y631 HydrophobicContact CD1-CD2 3.96Å; F464-Y631 HydrophobicContact CD1-CG 4.46Å; F464-Y631 HydrophobicContact CG-CD2 4.05Å
465	L	94.3	Very high	91.7	Very high	90 Å²	90	30.7 Å²	30.7	47%	0.471	15%	0.153	S	C	.	.	H	α-helix	trans	-67	-47.1	175.3	-174.8	63.8	0	0	0	111.5	F370 K461 Y463 K467 T468 M469	F370-L465 HydrophobicContact CD2-CB 4.11Å; F370-L465 HydrophobicContact CD2-CD2 3.9Å; F370-L465 HydrophobicContact CD2-CG 3.89Å; F370-L465 HydrophobicContact CE2-CB 4.28Å; F370-L465 HydrophobicContact CE2-CD2 3.99Å; F370-L465 HydrophobicContact CE2-CG 3.7Å; K461-L465 WeakPolarHBondContact O-CB 3.28Å; K461-L465 PolarHBondContact O-N 3.35Å; K461-L465 VanDerWaalsContact O-N 3.16Å; Y463-L465 VanDerWaalsContact C-N 3.3Å; Y463-L465 PolarHBondContact O-N 3.44Å; L465-K467 PolarHBondContact O-N 3.23Å; L465-T468 PolarHBondContact O-N 3.37Å; L465-M469 HydrophobicContact CD1-CG 4.28Å; L465-M469 HydrophobicContact CD1-SD 3.99Å; L465-M469 HydrophobicContact CG-SD 4.05Å; L465-M469 WeakPolarHBondContact O-CG 3.47Å; L465-M469 PolarHBondContact O-N 2.87Å
466	A	95.1	Very high	92	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.5	-46	178	0	0	0	0	0	112.1	F370 L373 F374 A462 Y463 M469 A470	F370-A466 HydrophobicContact CD2-CB 3.84Å; F370-A466 HydrophobicContact CE2-CB 4.12Å; L373-A466 HydrophobicContact CB-CB 3.66Å; F374-A466 HydrophobicContact CB-CB 4.16Å; A462-A466 WeakPolarHBondContact O-CB 3.4Å; A462-A466 PolarHBondContact O-N 3.47Å; Y463-A466 PolarHBondContact O-N 3.42Å; A466-M469 PolarHBondContact O-N 3.29Å; A466-A470 VanDerWaalsContact O-CB 3.27Å; A466-A470 WeakPolarHBondContact O-CB 3.46Å; A466-A470 PolarHBondContact O-N 2.65Å
467	K	93.1	Very high	92.3	Very high	10 Å²	10	35.2 Å²	35.2	4%	0.043	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-48	177.8	177.9	56.4	176.4	163.7	0	111.7	T377 E445 Y463 L465 M469 A470 D471	T377-K467 HydrophobicContact CG2-CD 3.81Å; E445-K467 IonicContact OE1-NZ 2.65Å; E445-K467 PolarHBondContact OE1-NZ 3.42Å; E445-K467 WeakPolarHBondContact OE2-CE 3.35Å; E445-K467 IonicContact OE2-NZ 2.72Å; E445-K467 PolarHBondContact OE2-NZ 3.31Å; Y463-K467 WeakPolarHBondContact O-CB 3.26Å; Y463-K467 PolarHBondContact O-N 3.47Å; L465-K467 PolarHBondContact O-N 3.23Å; K467-M469 VanDerWaalsContact C-N 3.35Å; K467-M469 PolarHBondContact O-N 2.98Å; K467-A470 PolarHBondContact O-N 3Å; K467-D471 WeakPolarHBondContact CE-OD2 3.46Å; K467-D471 VanDerWaalsContact NZ-CG 3.33Å; K467-D471 IonicContact NZ-OD1 2.97Å; K467-D471 PolarHBondContact NZ-OD1 3.41Å; K467-D471 IonicContact NZ-OD2 3.39Å; K467-D471 PolarHBondContact NZ-OD2 3.23Å; K467-D471 PolarHBondContact O-N 2.9Å; K467-D471 VanDerWaalsContact O-N 3.13Å
468	T	92.9	Very high	92.5	Very high	17 Å²	17	35.9 Å²	35.9	10%	0.104	18%	0.184	C	C	.	.	H	α-helix	trans	-59.2	-45.5	178.9	-62.8	0	0	0	0	111.6	F464 L465 I472 R627	F464-T468 WeakPolarHBondContact O-CB 3.47Å; F464-T468 PolarHBondContact O-N 3.2Å; F464-T468 PolarHBondContact O-OG1 2.9Å; L465-T468 PolarHBondContact O-N 3.37Å; T468-I472 HydrophobicContact CG2-CD1 4.26Å; T468-I472 WeakPolarHBondContact O-CD1 3.32Å; T468-I472 VanDerWaalsContact O-CG1 3.32Å; T468-I472 WeakPolarHBondContact O-CG1 3.34Å; T468-I472 PolarHBondContact O-N 3.47Å; T468-R627 PolarHBondContact OG1-NH1 3.24Å
469	M	93.8	Very high	92.5	Very high	87 Å²	87	35.9 Å²	35.9	43%	0.429	18%	0.184	S	C	.	.	H	α-helix	trans	-71.2	-32.9	-179.6	-68.1	-176.5	70.7	0	0	113.2	F370 F374 L465 A466 K467 P473	F370-M469 HydrophobicContact CE2-SD 3.64Å; F370-M469 HydrophobicContact CZ-CE 4.15Å; F370-M469 HydrophobicContact CZ-SD 3.43Å; F370-M469 WeakPolarHBondContact CZ-SD 3.28Å; F374-M469 HydrophobicContact CD2-CB 4.09Å; F374-M469 HydrophobicContact CE2-CB 3.99Å; L465-M469 HydrophobicContact CD1-CG 4.28Å; L465-M469 HydrophobicContact CD1-SD 3.99Å; L465-M469 HydrophobicContact CG-SD 4.05Å; L465-M469 WeakPolarHBondContact O-CG 3.47Å; L465-M469 PolarHBondContact O-N 2.87Å; A466-M469 PolarHBondContact O-N 3.29Å; K467-M469 VanDerWaalsContact C-N 3.35Å; K467-M469 PolarHBondContact O-N 2.98Å; M469-P473 WeakPolarHBondContact O-CD 3.38Å
470	A	92.8	Very high	92.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-71.6	-30.7	178.8	0	0	0	0	0	113	F374 T377 I381 A466 K467 F474	F374-A470 HydrophobicContact CD2-CB 4.06Å; F374-A470 HydrophobicContact CE2-CB 4.11Å; T377-A470 HydrophobicContact CG2-CB 3.68Å; I381-A470 HydrophobicContact CD1-CB 4.2Å; A466-A470 VanDerWaalsContact O-CB 3.27Å; A466-A470 WeakPolarHBondContact O-CB 3.46Å; A466-A470 PolarHBondContact O-N 2.65Å; K467-A470 PolarHBondContact O-N 3Å; A470-F474 WeakPolarHBondContact O-CD2 3.33Å
471	D	90.6	Very high	92.9	Very high	12 Å²	12	40.3 Å²	40.3	6%	0.064	21%	0.205	C	C	.	.	H	α-helix	trans	-80	-30.2	-178.5	-74.2	-18.3	0	0	0	113.5	I381 K467 F474 Q475	I381-D471 WeakPolarHBondContact CD1-OD1 3.37Å; K467-D471 WeakPolarHBondContact CE-OD2 3.46Å; K467-D471 VanDerWaalsContact NZ-CG 3.33Å; K467-D471 IonicContact NZ-OD1 2.97Å; K467-D471 PolarHBondContact NZ-OD1 3.41Å; K467-D471 IonicContact NZ-OD2 3.39Å; K467-D471 PolarHBondContact NZ-OD2 3.23Å; K467-D471 PolarHBondContact O-N 2.9Å; K467-D471 VanDerWaalsContact O-N 3.13Å; D471-F474 PolarHBondContact O-N 3.01Å; D471-Q475 PolarHBondContact O-N 3.34Å; D471-Q475 VanDerWaalsContact O-N 3.12Å
472	I	91.6	Very high	93	Very high	57 Å²	57	33.1 Å²	33.1	29%	0.292	17%	0.174	S	C	.	.	H	α-helix	trans	-55.3	-48.2	-173.8	-74.2	164.2	0	0	0	113.1	T468 F474 Q475 V476 L511	T468-I472 HydrophobicContact CG2-CD1 4.26Å; T468-I472 WeakPolarHBondContact O-CD1 3.32Å; T468-I472 VanDerWaalsContact O-CG1 3.32Å; T468-I472 WeakPolarHBondContact O-CG1 3.34Å; T468-I472 PolarHBondContact O-N 3.47Å; I472-F474 VanDerWaalsContact C-N 3.34Å; I472-F474 PolarHBondContact O-N 3.14Å; I472-Q475 PolarHBondContact O-N 3.33Å; I472-Q475 VanDerWaalsContact O-N 3.13Å; I472-V476 HydrophobicContact CG2-CG2 4.14Å; I472-V476 VanDerWaalsContact O-CG2 3.29Å; I472-V476 WeakPolarHBondContact O-CG2 3.39Å; I472-V476 PolarHBondContact O-N 2.98Å; I472-L511 HydrophobicContact CG1-CD2 4.31Å
473	P	91.4	Very high	93.1	Very high	52 Å²	52	32.9 Å²	32.9	34%	0.338	17%	0.172	S	C	.	.	H	α-helix	trans	-58.1	-44	-177.4	-26.1	35	0	0	0	113.3	M469 Q475 V476 I477	M469-P473 WeakPolarHBondContact O-CD 3.38Å; P473-Q475 VanDerWaalsContact C-N 3.33Å; P473-Q475 PolarHBondContact O-N 2.98Å; P473-V476 PolarHBondContact O-N 3.41Å; P473-I477 WeakPolarHBondContact O-CD1 3.48Å; P473-I477 VanDerWaalsContact O-CG1 3.27Å; P473-I477 WeakPolarHBondContact O-CG1 3.22Å; P473-I477 PolarHBondContact O-N 3.45Å
474	F	86.4	Confident	93.1	Very high	42 Å²	42	34.1 Å²	34.1	18%	0.184	18%	0.181	C	C	.	.	H	α-helix	trans	-69.2	-34.4	179.1	-59.9	-82.8	0	0	0	112	F378 I381 A470 D471 I472 V476	F378-F474 AromaticContact CD2-CE2 3.88Å; F378-F474 HydrophobicContact CD2-CE2 3.88Å; F378-F474 HydrophobicContact CD2-CZ 4.26Å; F378-F474 AromaticContact CE2-CE2 3.7Å; F378-F474 HydrophobicContact CE2-CE2 3.7Å; F378-F474 AromaticContact CE2-CZ 3.81Å; F378-F474 HydrophobicContact CE2-CZ 3.81Å; F378-F474 HydrophobicContact CZ-CZ 4.26Å; I381-F474 HydrophobicContact CB-CE2 4.1Å; I381-F474 HydrophobicContact CB-CZ 4.37Å; I381-F474 HydrophobicContact CD1-CD2 4.48Å; I381-F474 HydrophobicContact CD1-CE2 4.42Å; I381-F474 HydrophobicContact CG2-CD1 4.07Å; I381-F474 HydrophobicContact CG2-CD2 3.62Å; I381-F474 HydrophobicContact CG2-CE1 4Å; I381-F474 HydrophobicContact CG2-CE2 3.54Å; I381-F474 HydrophobicContact CG2-CG 3.9Å; I381-F474 HydrophobicContact CG2-CZ 3.74Å; A470-F474 WeakPolarHBondContact O-CD2 3.33Å; D471-F474 PolarHBondContact O-N 3.01Å; I472-F474 VanDerWaalsContact C-N 3.34Å; I472-F474 PolarHBondContact O-N 3.14Å; F474-V476 PolarHBondContact O-N 2.71Å
475	Q	90.5	Very high	93.2	Very high	13 Å²	13	34.7 Å²	34.7	6%	0.061	19%	0.185	C	C	.	.	H	α-helix	trans	-71.6	-20.6	176.3	-167.4	56.6	50.8	0	0	112.8	A434 D471 I472 P473 P479 L511 Q514	A434-Q475 VanDerWaalsContact CB-NE2 3.28Å; D471-Q475 PolarHBondContact O-N 3.34Å; D471-Q475 VanDerWaalsContact O-N 3.12Å; I472-Q475 PolarHBondContact O-N 3.33Å; I472-Q475 VanDerWaalsContact O-N 3.13Å; P473-Q475 VanDerWaalsContact C-N 3.33Å; P473-Q475 PolarHBondContact O-N 2.98Å; Q475-P479 WeakPolarHBondContact O-CD 3.21Å; Q475-P479 WeakPolarHBondContact O-CG 3.34Å; Q475-L511 HydrophobicContact CB-CD2 4.02Å; Q475-L511 HydrophobicContact CG-CD2 3.72Å; Q475-L511 HydrophobicContact CG-CG 4.36Å; Q475-Q514 HydrophobicContact CG-CB 4.41Å
476	V	93.2	Very high	93.3	Very high	40 Å²	40	30.4 Å²	30.4	24%	0.242	16%	0.162	C	C	.	.	H	α-helix	trans	-88.4	-42.7	176.6	170.8	0	0	0	0	111.2	I472 P473 F474 C478 P479 I480 T507	I472-V476 HydrophobicContact CG2-CG2 4.14Å; I472-V476 VanDerWaalsContact O-CG2 3.29Å; I472-V476 WeakPolarHBondContact O-CG2 3.39Å; I472-V476 PolarHBondContact O-N 2.98Å; P473-V476 PolarHBondContact O-N 3.41Å; F474-V476 PolarHBondContact O-N 2.71Å; V476-C478 PolarHBondContact O-N 2.88Å; V476-P479 WeakPolarHBondContact O-CD 3.46Å; V476-I480 HydrophobicContact CG1-CD1 3.43Å; V476-I480 VanDerWaalsContact CG1-CD1 3.43Å; V476-I480 HydrophobicContact CG1-CG1 4.25Å; V476-I480 WeakPolarHBondContact O-CB 3.27Å; V476-I480 WeakPolarHBondContact O-CD1 3.29Å; V476-I480 WeakPolarHBondContact O-CG1 3.37Å; V476-I480 PolarHBondContact O-N 3.47Å; V476-T507 HydrophobicContact CB-CG2 4.25Å; V476-T507 HydrophobicContact CG1-CG2 4.28Å; V476-T507 HydrophobicContact CG2-CG2 3.79Å
477	I	93.2	Very high	93.3	Very high	104 Å²	104	30.4 Å²	30.4	53%	0.533	16%	0.163	S	C	.	.	H	α-helix	trans	-63.7	-43.7	-175.5	-68.5	163.1	0	0	0	112.6	P473 I480 M481	P473-I477 WeakPolarHBondContact O-CD1 3.48Å; P473-I477 VanDerWaalsContact O-CG1 3.27Å; P473-I477 WeakPolarHBondContact O-CG1 3.22Å; P473-I477 PolarHBondContact O-N 3.45Å; I477-I480 PolarHBondContact O-N 3.46Å; I477-M481 PolarHBondContact O-N 2.92Å
478	C	92.6	Very high	93.3	Very high	16 Å²	16	37.3 Å²	37.3	11%	0.108	19%	0.188	C	C	.	.	H	α-helix	trans	-66.6	-46.4	-176	-64.8	0	0	0	0	113.6	V476 M481 Y482	V476-C478 PolarHBondContact O-N 2.88Å; C478-M481 PolarHBondContact O-N 3.36Å; C478-Y482 PolarHBondContact O-N 2.89Å
479	P	93.3	Very high	93.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62	-40.3	172.5	-26.7	37	0	0	0	113.3	L430 Q475 V476 M481 Y482 C483 A510	L430-P479 HydrophobicContact CD1-CB 4.44Å; L430-P479 HydrophobicContact CD2-CB 3.85Å; L430-P479 HydrophobicContact CD2-CG 4.12Å; Q475-P479 WeakPolarHBondContact O-CD 3.21Å; Q475-P479 WeakPolarHBondContact O-CG 3.34Å; V476-P479 WeakPolarHBondContact O-CD 3.46Å; P479-M481 VanDerWaalsContact C-N 3.3Å; P479-M481 PolarHBondContact O-N 3.25Å; P479-Y482 PolarHBondContact O-N 3.01Å; P479-C483 VanDerWaalsContact O-CB 3.28Å; P479-C483 WeakPolarHBondContact O-CB 2.99Å; P479-C483 PolarHBondContact O-N 3.32Å; P479-C483 PolarHBondContact O-SG 3.28Å; P479-C483 VanDerWaalsContact O-SG 3.4Å; P479-A510 HydrophobicContact CG-CB 4.08Å
480	I	94.6	Very high	93.4	Very high	67 Å²	67	34.6 Å²	34.6	34%	0.344	17%	0.174	S	C	.	.	H	α-helix	trans	-55.9	-47.6	175.8	-75.1	178.6	0	0	0	110.5	V476 I477 S484 M503	V476-I480 HydrophobicContact CG1-CD1 3.43Å; V476-I480 VanDerWaalsContact CG1-CD1 3.43Å; V476-I480 HydrophobicContact CG1-CG1 4.25Å; V476-I480 WeakPolarHBondContact O-CB 3.27Å; V476-I480 WeakPolarHBondContact O-CD1 3.29Å; V476-I480 WeakPolarHBondContact O-CG1 3.37Å; V476-I480 PolarHBondContact O-N 3.47Å; I477-I480 PolarHBondContact O-N 3.46Å; I480-S484 WeakPolarHBondContact O-CB 3.21Å; I480-S484 PolarHBondContact O-N 3.29Å; I480-S484 PolarHBondContact O-OG 2.72Å; I480-M503 HydrophobicContact CB-CE 3.77Å; I480-M503 HydrophobicContact CG1-CE 3.74Å; I480-M503 HydrophobicContact CG2-CE 3.53Å
481	M	95.4	Very high	93.4	Very high	54 Å²	54	38.9 Å²	38.9	27%	0.266	19%	0.194	S	C	.	.	H	α-helix	trans	-61.3	-47.5	177.5	-179.1	-174.4	70.1	0	0	111.8	V392 H395 L396 I477 C478 P479 S484 I485	V392-M481 HydrophobicContact CG1-CE 4.04Å; V392-M481 HydrophobicContact CG1-SD 4.17Å; V392-M481 WeakPolarHBondContact O-CE 3.49Å; H395-M481 HydrophobicContact CB-CE 3.61Å; L396-M481 HydrophobicContact CB-CE 4.35Å; I477-M481 PolarHBondContact O-N 2.92Å; C478-M481 PolarHBondContact O-N 3.36Å; P479-M481 VanDerWaalsContact C-N 3.3Å; P479-M481 PolarHBondContact O-N 3.25Å; M481-S484 PolarHBondContact O-N 3.29Å; M481-I485 HydrophobicContact CG-CD1 4.36Å; M481-I485 WeakPolarHBondContact O-CD1 3.2Å; M481-I485 WeakPolarHBondContact O-CG1 3.39Å; M481-I485 PolarHBondContact O-N 2.94Å
482	Y	96.2	Very high	93.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.6	-52.7	178.4	169.2	-95.6	0	0	0	112.3	I398 G399 I402 S426 F429 L430 C478 P479 S484 I485 V486	I398-Y482 HydrophobicContact CG2-CE2 4.39Å; G399-Y482 VanDerWaalsContact CA-CE2 3.47Å; I402-Y482 HydrophobicContact CD1-CE2 4.4Å; I402-Y482 WeakPolarHBondContact CD1-OH 3.32Å; S426-Y482 VanDerWaalsContact CA-OH 3.29Å; S426-Y482 WeakPolarHBondContact CA-OH 3.25Å; S426-Y482 WeakPolarHBondContact CB-OH 3.12Å; S426-Y482 PolarHBondContact OG-OH 3.12Å; F429-Y482 HydrophobicContact CD1-CD1 4.46Å; F429-Y482 AromaticContact CD1-CD2 3.81Å; F429-Y482 HydrophobicContact CD1-CD2 3.81Å; F429-Y482 HydrophobicContact CD1-CE1 4.22Å; F429-Y482 AromaticContact CD1-CE2 3.52Å; F429-Y482 HydrophobicContact CD1-CE2 3.52Å; F429-Y482 HydrophobicContact CD1-CG 4.27Å; F429-Y482 AromaticContact CD1-CZ 3.77Å; F429-Y482 AromaticContact CE1-CD2 3.61Å; F429-Y482 HydrophobicContact CE1-CD2 3.61Å; F429-Y482 AromaticContact CE1-CE2 3.77Å; F429-Y482 HydrophobicContact CE1-CE2 3.77Å; F429-Y482 HydrophobicContact CE1-CG 4.11Å; L430-Y482 HydrophobicContact CD1-CD1 4.05Å; L430-Y482 HydrophobicContact CD1-CE1 4.23Å; L430-Y482 HydrophobicContact CD2-CD1 3.71Å; L430-Y482 HydrophobicContact CD2-CE1 4.32Å; L430-Y482 HydrophobicContact CD2-CG 4.15Å; L430-Y482 HydrophobicContact CG-CD1 3.96Å; L430-Y482 HydrophobicContact CG-CE1 4.1Å; C478-Y482 PolarHBondContact O-N 2.89Å; P479-Y482 PolarHBondContact O-N 3.01Å; Y482-S484 VanDerWaalsContact C-N 3.29Å; Y482-S484 PolarHBondContact O-N 3.42Å; Y482-I485 PolarHBondContact O-N 3.05Å; Y482-I485 VanDerWaalsContact O-N 3.13Å; Y482-V486 HydrophobicContact CD1-CG2 4.45Å; Y482-V486 HydrophobicContact CD2-CG1 4.44Å; Y482-V486 HydrophobicContact CE1-CG1 4.39Å; Y482-V486 HydrophobicContact CE1-CG2 4.07Å; Y482-V486 HydrophobicContact CE2-CG1 3.91Å; Y482-V486 PolarHBondContact O-N 3.21Å; Y482-V486 VanDerWaalsContact O-N 3.12Å
483	C	95.4	Very high	93.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-37.4	-179	-74.1	0	0	0	0	111.6	P479 I485 Y487 F502 M503	P479-C483 VanDerWaalsContact O-CB 3.28Å; P479-C483 WeakPolarHBondContact O-CB 2.99Å; P479-C483 PolarHBondContact O-N 3.32Å; P479-C483 PolarHBondContact O-SG 3.28Å; P479-C483 VanDerWaalsContact O-SG 3.4Å; C483-I485 VanDerWaalsContact C-N 3.34Å; C483-I485 PolarHBondContact O-N 2.85Å; C483-Y487 WeakPolarHBondContact O-CB 3.15Å; C483-Y487 PolarHBondContact O-N 3.47Å; C483-F502 HydrophobicContact CB-CD1 4.19Å; C483-F502 HydrophobicContact CB-CE1 3.78Å; C483-M503 HydrophobicContact CB-CG 4.3Å; C483-M503 HydrophobicContact CB-SD 3.16Å; C483-M503 WeakPolarHBondContact CB-SD 3.43Å
484	S	95.3	Very high	93.1	Very high	32 Å²	32	37.8 Å²	37.8	22%	0.224	20%	0.197	C	C	.	.	H	α-helix	trans	-58.8	-45.2	174.4	-58	0	0	0	0	111.5	I480 M481 Y482 Y499	I480-S484 WeakPolarHBondContact O-CB 3.21Å; I480-S484 PolarHBondContact O-N 3.29Å; I480-S484 PolarHBondContact O-OG 2.72Å; M481-S484 PolarHBondContact O-N 3.29Å; Y482-S484 VanDerWaalsContact C-N 3.29Å; Y482-S484 PolarHBondContact O-N 3.42Å; S484-Y499 PolarHBondContact OG-OH 3.29Å
485	I	95.4	Very high	93.2	Very high	35 Å²	35	40.1 Å²	40.1	18%	0.179	21%	0.209	C	C	.	.	H	α-helix	trans	-64.7	-53	-179.3	-64.9	160.4	0	0	0	110.4	L396 V400 M481 Y482 C483 Y487 M489	L396-I485 HydrophobicContact CD1-CD1 3.62Å; V400-I485 HydrophobicContact CG2-CG2 4.2Å; M481-I485 HydrophobicContact CG-CD1 4.36Å; M481-I485 WeakPolarHBondContact O-CD1 3.2Å; M481-I485 WeakPolarHBondContact O-CG1 3.39Å; M481-I485 PolarHBondContact O-N 2.94Å; Y482-I485 PolarHBondContact O-N 3.05Å; Y482-I485 VanDerWaalsContact O-N 3.13Å; C483-I485 VanDerWaalsContact C-N 3.34Å; C483-I485 PolarHBondContact O-N 2.85Å; I485-Y487 PolarHBondContact O-N 2.99Å; I485-M489 HydrophobicContact CG2-CG 4.49Å; I485-M489 HydrophobicContact CG2-SD 3.58Å; I485-M489 VanDerWaalsContact CG2-SD 3.58Å; I485-M489 WeakPolarHBondContact O-CB 3.15Å; I485-M489 VanDerWaalsContact O-CG 3.26Å; I485-M489 WeakPolarHBondContact O-CG 3.32Å; I485-M489 PolarHBondContact O-N 3.42Å
486	V	95.8	Very high	93.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-71.2	-33.1	-172.8	-62.1	0	0	0	0	113.3	G399 I402 F422 Y482 W488 T490 F502	G399-V486 WeakPolarHBondContact O-CG1 3.5Å; I402-V486 HydrophobicContact CB-CG1 4.46Å; I402-V486 HydrophobicContact CG2-CG1 4.35Å; F422-V486 HydrophobicContact CE2-CB 3.79Å; F422-V486 HydrophobicContact CE2-CG1 4.38Å; F422-V486 HydrophobicContact CE2-CG2 4.11Å; F422-V486 HydrophobicContact CZ-CB 3.91Å; F422-V486 HydrophobicContact CZ-CG2 3.95Å; Y482-V486 HydrophobicContact CD1-CG2 4.45Å; Y482-V486 HydrophobicContact CD2-CG1 4.44Å; Y482-V486 HydrophobicContact CE1-CG1 4.39Å; Y482-V486 HydrophobicContact CE1-CG2 4.07Å; Y482-V486 HydrophobicContact CE2-CG1 3.91Å; Y482-V486 PolarHBondContact O-N 3.21Å; Y482-V486 VanDerWaalsContact O-N 3.12Å; V486-W488 PolarHBondContact O-N 2.99Å; V486-T490 WeakPolarHBondContact O-CB 3.42Å; V486-T490 VanDerWaalsContact O-CG2 3.3Å; V486-T490 WeakPolarHBondContact O-CG2 3.42Å; V486-T490 PolarHBondContact O-N 3.49Å; V486-T490 VanDerWaalsContact O-N 3.09Å; V486-T490 PolarHBondContact O-OG1 3.27Å; V486-F502 HydrophobicContact CG2-CE1 4.35Å; V486-F502 HydrophobicContact CG2-CZ 4.47Å
487	Y	95.1	Very high	93.2	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-64	-44.7	-177.8	-168	-91	0	0	0	111.8	C483 I485 Q492 P493 R498 Y499 F502	C483-Y487 WeakPolarHBondContact O-CB 3.15Å; C483-Y487 PolarHBondContact O-N 3.47Å; I485-Y487 PolarHBondContact O-N 2.99Å; Y487-Q492 HydrophobicContact CD1-CB 4.07Å; Y487-Q492 HydrophobicContact CD2-CB 3.8Å; Y487-Q492 HydrophobicContact CD2-CG 3.94Å; Y487-Q492 HydrophobicContact CE1-CB 3.85Å; Y487-Q492 HydrophobicContact CE2-CB 3.57Å; Y487-Q492 HydrophobicContact CE2-CG 4.07Å; Y487-Q492 HydrophobicContact CG-CB 4.05Å; Y487-Q492 HydrophobicContact CG-CG 4.33Å; Y487-Q492 PolarHBondContact O-N 3.38Å; Y487-P493 PolarHBondContact OH-O 3.06Å; Y487-R498 WeakPolarHBondContact OH-CB 3.39Å; Y487-Y499 AromaticContact CD1-CD2 3.67Å; Y487-Y499 HydrophobicContact CD1-CD2 3.67Å; Y487-Y499 HydrophobicContact CD1-CE2 4.43Å; Y487-Y499 HydrophobicContact CD1-CG 4.46Å; Y487-Y499 HydrophobicContact CD2-CD2 4.18Å; Y487-Y499 AromaticContact CE1-CD2 3.98Å; Y487-Y499 HydrophobicContact CE1-CD2 3.98Å; Y487-Y499 HydrophobicContact CE1-CG 4.37Å; Y487-Y499 HydrophobicContact CE2-CD2 4.45Å; Y487-Y499 AromaticContact CG-CD2 3.76Å; Y487-Y499 HydrophobicContact CG-CD2 3.76Å; Y487-Y499 HydrophobicContact CG-CE2 4.36Å; Y487-Y499 PolarHBondContact OH-N 2.98Å; Y487-F502 HydrophobicContact CD2-CB 4.47Å; Y487-F502 AromaticContact CD2-CD1 3.67Å; Y487-F502 HydrophobicContact CD2-CD1 3.67Å; Y487-F502 HydrophobicContact CD2-CE1 4.15Å; Y487-F502 HydrophobicContact CD2-CG 4.18Å; Y487-F502 HydrophobicContact CE2-CB 4.29Å; Y487-F502 HydrophobicContact CE2-CD1 4.32Å; Y487-F502 HydrophobicContact CE2-CG 4.42Å
488	W	94.3	Very high	93.1	Very high	154 Å²	154	39.9 Å²	39.9	58%	0.583	22%	0.221	S	C	*	.	H	α-helix	trans	-76.3	-39.3	179.6	-64.6	116.7	0	0	0	112.6	V486 T490 E491 A494	V486-W488 PolarHBondContact O-N 2.99Å; W488-T490 VanDerWaalsContact C-N 3.3Å; W488-T490 PolarHBondContact O-N 2.93Å; W488-E491 PolarHBondContact O-N 3.39Å; W488-A494 HydrophobicContact CZ3-CB 4.17Å
489	M	94.9	Very high	93.2	Very high	47 Å²	47	41.2 Å²	41.2	23%	0.232	23%	0.225	C	C	.	.	H	α-helix	trans	-66.3	-31	178.9	-70.8	-177.8	75	0	0	113.3	L404 L407 N408 I485 E491	L404-M489 HydrophobicContact CD2-CE 3.69Å; L404-M489 HydrophobicContact CG-CE 3.78Å; L407-M489 WeakPolarHBondContact CD1-O 3.41Å; N408-M489 PolarHBondContact N-O 3.12Å; I485-M489 HydrophobicContact CG2-CG 4.49Å; I485-M489 HydrophobicContact CG2-SD 3.58Å; I485-M489 VanDerWaalsContact CG2-SD 3.58Å; I485-M489 WeakPolarHBondContact O-CB 3.15Å; I485-M489 VanDerWaalsContact O-CG 3.26Å; I485-M489 WeakPolarHBondContact O-CG 3.32Å; I485-M489 PolarHBondContact O-N 3.42Å; M489-E491 VanDerWaalsContact C-N 3.3Å
490	T	93.4	Very high	93.2	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	2.9	179.7	58.6	0	0	0	0	113.3	Y406 I409 G410 F422 V486 W488 Q492	Y406-T490 WeakPolarHBondContact O-CG2 3.24Å; I409-T490 PolarHBondContact N-O 2.99Å; G410-T490 WeakPolarHBondContact CA-O 3.34Å; G410-T490 PolarHBondContact N-O 2.9Å; F422-T490 HydrophobicContact CD1-CG2 4.42Å; F422-T490 HydrophobicContact CD2-CG2 4.18Å; F422-T490 HydrophobicContact CE1-CG2 4.12Å; F422-T490 HydrophobicContact CE2-CG2 3.9Å; F422-T490 HydrophobicContact CG-CG2 4.44Å; F422-T490 HydrophobicContact CZ-CG2 3.86Å; V486-T490 WeakPolarHBondContact O-CB 3.42Å; V486-T490 VanDerWaalsContact O-CG2 3.3Å; V486-T490 WeakPolarHBondContact O-CG2 3.42Å; V486-T490 PolarHBondContact O-N 3.49Å; V486-T490 VanDerWaalsContact O-N 3.09Å; V486-T490 PolarHBondContact O-OG1 3.27Å; W488-T490 VanDerWaalsContact C-N 3.3Å; W488-T490 PolarHBondContact O-N 2.93Å; T490-Q492 VanDerWaalsContact C-N 3.32Å; T490-Q492 PolarHBondContact O-N 3.19Å; T490-Q492 WeakPolarHBondContact OG1-CG 3.27Å; T490-Q492 PolarHBondContact OG1-NE2 3.19Å; T490-Q492 VanDerWaalsContact OG1-NE2 3.14Å
491	E	92.4	Very high	93.2	Very high	91 Å²	91	44.8 Å²	44.8	43%	0.425	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	45.7	-176.6	-65.6	-178.5	166.5	0	0	113.3	N408 N411 W488 M489	N408-E491 HydrophobicContact CB-CG 4.34Å; N408-E491 VanDerWaalsContact CB-OE2 3.27Å; N408-E491 WeakPolarHBondContact CB-OE2 3.24Å; N408-E491 VanDerWaalsContact CG-OE2 3.24Å; N408-E491 PolarHBondContact ND2-OE1 3.07Å; N408-E491 WeakPolarHBondContact OD1-CG 2.94Å; N408-E491 PolarHBondContact OD1-OE1 3.16Å; N408-E491 VanDerWaalsContact OD1-OE1 3.12Å; N411-E491 PolarHBondContact ND2-O 3.43Å; W488-E491 PolarHBondContact O-N 3.39Å; M489-E491 VanDerWaalsContact C-N 3.3Å
492	Q	91.9	Very high	93.1	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.028	23%	0.231	C	C	.	.			trans	-62.9	157	169.1	-62.8	-54.2	-35.8	0	0	110.7	N419 Y487 T490 A494	N419-Q492 PolarHBondContact OD1-NE2 3.29Å; Y487-Q492 HydrophobicContact CD1-CB 4.07Å; Y487-Q492 HydrophobicContact CD2-CB 3.8Å; Y487-Q492 HydrophobicContact CD2-CG 3.94Å; Y487-Q492 HydrophobicContact CE1-CB 3.85Å; Y487-Q492 HydrophobicContact CE2-CB 3.57Å; Y487-Q492 HydrophobicContact CE2-CG 4.07Å; Y487-Q492 HydrophobicContact CG-CB 4.05Å; Y487-Q492 HydrophobicContact CG-CG 4.33Å; Y487-Q492 PolarHBondContact O-N 3.38Å; T490-Q492 VanDerWaalsContact C-N 3.32Å; T490-Q492 PolarHBondContact O-N 3.19Å; T490-Q492 WeakPolarHBondContact OG1-CG 3.27Å; T490-Q492 PolarHBondContact OG1-NE2 3.19Å; T490-Q492 VanDerWaalsContact OG1-NE2 3.14Å; Q492-A494 PolarHBondContact O-N 3.46Å
493	P	89.1	Confident	93.1	Very high	12 Å²	12	43 Å²	43	8%	0.078	24%	0.235	C	C	.	.			trans	-53.6	124	-177.8	19.6	-34	0	0	0	111.8	Y487 E495	Y487-P493 PolarHBondContact OH-O 3.06Å; P493-E495 PolarHBondContact O-N 3.48Å
494	A	85.9	Confident	93.1	Very high	79 Å²	79	44.8 Å²	44.8	65%	0.653	25%	0.249	S	C	*	.			trans	-73.8	36.9	-172.3	0	0	0	0	0	114.6	W488 Q492	W488-A494 HydrophobicContact CZ3-CB 4.17Å; Q492-A494 PolarHBondContact O-N 3.46Å
495	E	90.1	Very high	93	Very high	91 Å²	91	43.3 Å²	43.3	43%	0.425	24%	0.239	S	C	.	.			trans	-92.8	125.4	176.9	-69.6	179.1	-150.3	0	0	110.9	P493 G497 R498 Y499	P493-E495 PolarHBondContact O-N 3.48Å; E495-G497 PolarHBondContact O-N 3.38Å; E495-R498 HydrophobicContact CB-CB 4.35Å; E495-R498 HydrophobicContact CB-CG 3.97Å; E495-R498 PolarHBondContact O-N 3.41Å; E495-R498 VanDerWaalsContact O-N 3.15Å; E495-R498 IonicContact OE1-CZ 2.79Å; E495-R498 IonicContact OE1-NE 3.03Å; E495-R498 PolarHBondContact OE1-NE 3.28Å; E495-R498 IonicContact OE1-NH2 3.88Å; E495-R498 PolarHBondContact OE1-NH2 3.32Å; E495-R498 IonicContact OE2-CZ 3.59Å; E495-R498 IonicContact OE2-NE 3.44Å; E495-R498 PolarHBondContact OE2-NE 2.93Å; E495-R498 IonicContact OE2-NH2 2.81Å; E495-R498 PolarHBondContact OE2-NH2 3.38Å; E495-Y499 PolarHBondContact O-N 3.44Å; E495-Y499 VanDerWaalsContact O-N 3.1Å
496	V	90.4	Very high	93	Very high	107 Å²	107	41.6 Å²	41.6	65%	0.648	23%	0.23	S	C	*	.	H	α-helix	trans	-56.8	-39.2	-178.9	-179.8	0	0	0	0	112	Y499 L500	V496-Y499 PolarHBondContact O-N 3.45Å; V496-L500 HydrophobicContact CG1-CD1 3.96Å; V496-L500 HydrophobicContact CG1-CG 4.29Å; V496-L500 VanDerWaalsContact O-CG 3.32Å; V496-L500 WeakPolarHBondContact O-CG 3.24Å; V496-L500 PolarHBondContact O-N 3.23Å
497	G	91.6	Very high	93	Very high	43 Å²	43	42.3 Å²	42.3	44%	0.443	24%	0.235	S	C	.	.	H	α-helix	trans	-60.2	-47.1	178.7	0	0	0	0	0	112.5	E495 L500 L501	E495-G497 PolarHBondContact O-N 3.38Å; G497-L500 PolarHBondContact O-N 2.92Å; G497-L501 WeakPolarHBondContact O-CB 3.38Å; G497-L501 VanDerWaalsContact O-CG 3.24Å; G497-L501 WeakPolarHBondContact O-CG 3.3Å; G497-L501 PolarHBondContact O-N 3.04Å
498	R	92.1	Very high	93	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-67	-41.8	-179.7	-59.5	-173.3	-166.2	-141.7	2.4	112.1	Y487 E495 L501 F502 S577 I578 M581 R583	Y487-R498 WeakPolarHBondContact OH-CB 3.39Å; E495-R498 HydrophobicContact CB-CB 4.35Å; E495-R498 HydrophobicContact CB-CG 3.97Å; E495-R498 PolarHBondContact O-N 3.41Å; E495-R498 VanDerWaalsContact O-N 3.15Å; E495-R498 IonicContact OE1-CZ 2.79Å; E495-R498 IonicContact OE1-NE 3.03Å; E495-R498 PolarHBondContact OE1-NE 3.28Å; E495-R498 IonicContact OE1-NH2 3.88Å; E495-R498 PolarHBondContact OE1-NH2 3.32Å; E495-R498 IonicContact OE2-CZ 3.59Å; E495-R498 IonicContact OE2-NE 3.44Å; E495-R498 PolarHBondContact OE2-NE 2.93Å; E495-R498 IonicContact OE2-NH2 2.81Å; E495-R498 PolarHBondContact OE2-NH2 3.38Å; R498-L501 PolarHBondContact O-N 3.27Å; R498-F502 WeakPolarHBondContact O-CB 3.41Å; R498-F502 PolarHBondContact O-N 3.19Å; R498-S577 WeakPolarHBondContact CD-O 3.15Å; R498-S577 WeakPolarHBondContact CG-O 3.33Å; R498-I578 PolarHBondContact NH1-O 2.89Å; R498-M581 HydrophobicContact CG-CE 3.75Å; R498-R583 VanDerWaalsContact NH1-CB 3.26Å; R498-R583 VanDerWaalsContact NH2-CA 3.34Å
499	Y	93.7	Very high	93.1	Very high	45 Å²	45	36.5 Å²	36.5	18%	0.176	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-48.9	174.8	172	-111.5	0	0	0	111.6	S484 Y487 E495 V496 L501 F502 M503	S484-Y499 PolarHBondContact OG-OH 3.29Å; Y487-Y499 AromaticContact CD1-CD2 3.67Å; Y487-Y499 HydrophobicContact CD1-CD2 3.67Å; Y487-Y499 HydrophobicContact CD1-CE2 4.43Å; Y487-Y499 HydrophobicContact CD1-CG 4.46Å; Y487-Y499 HydrophobicContact CD2-CD2 4.18Å; Y487-Y499 AromaticContact CE1-CD2 3.98Å; Y487-Y499 HydrophobicContact CE1-CD2 3.98Å; Y487-Y499 HydrophobicContact CE1-CG 4.37Å; Y487-Y499 HydrophobicContact CE2-CD2 4.45Å; Y487-Y499 AromaticContact CG-CD2 3.76Å; Y487-Y499 HydrophobicContact CG-CD2 3.76Å; Y487-Y499 HydrophobicContact CG-CE2 4.36Å; Y487-Y499 PolarHBondContact OH-N 2.98Å; E495-Y499 PolarHBondContact O-N 3.44Å; E495-Y499 VanDerWaalsContact O-N 3.1Å; V496-Y499 PolarHBondContact O-N 3.45Å; Y499-L501 VanDerWaalsContact C-N 3.34Å; Y499-L501 PolarHBondContact O-N 2.95Å; Y499-F502 PolarHBondContact O-N 3.47Å; Y499-M503 HydrophobicContact CD2-CG 4.04Å; Y499-M503 HydrophobicContact CE1-CE 4.39Å; Y499-M503 HydrophobicContact CE1-CG 4.25Å; Y499-M503 HydrophobicContact CE2-CE 4.37Å; Y499-M503 HydrophobicContact CE2-CG 3.7Å; Y499-M503 HydrophobicContact CE2-SD 3.86Å; Y499-M503 HydrophobicContact CG-CG 4.46Å; Y499-M503 WeakPolarHBondContact O-CB 3.46Å; Y499-M503 WeakPolarHBondContact O-CG 3.47Å; Y499-M503 PolarHBondContact O-N 3.03Å; Y499-M503 VanDerWaalsContact OH-CE 3.31Å; Y499-M503 WeakPolarHBondContact OH-CE 3.45Å
500	L	94.6	Very high	93.1	Very high	101 Å²	101	34.3 Å²	34.3	53%	0.529	21%	0.207	S	C	.	.	H	α-helix	trans	-64.4	-37.7	178.7	-70.3	176.8	0	0	0	112.5	V496 G497 A504	V496-L500 HydrophobicContact CG1-CD1 3.96Å; V496-L500 HydrophobicContact CG1-CG 4.29Å; V496-L500 VanDerWaalsContact O-CG 3.32Å; V496-L500 WeakPolarHBondContact O-CG 3.24Å; V496-L500 PolarHBondContact O-N 3.23Å; G497-L500 PolarHBondContact O-N 2.92Å; L500-A504 WeakPolarHBondContact O-CB 3.35Å; L500-A504 PolarHBondContact O-N 3.43Å
501	L	93.9	Very high	93.2	Very high	40 Å²	40	35.7 Å²	35.7	21%	0.209	21%	0.214	C	C	.	.	H	α-helix	trans	-66.8	-46.1	177	-72.5	172.5	0	0	0	112	G497 R498 Y499 M503 A504 L505 M581 L612 F616	G497-L501 WeakPolarHBondContact O-CB 3.38Å; G497-L501 VanDerWaalsContact O-CG 3.24Å; G497-L501 WeakPolarHBondContact O-CG 3.3Å; G497-L501 PolarHBondContact O-N 3.04Å; R498-L501 PolarHBondContact O-N 3.27Å; Y499-L501 VanDerWaalsContact C-N 3.34Å; Y499-L501 PolarHBondContact O-N 2.95Å; L501-M503 PolarHBondContact O-N 3.33Å; L501-A504 PolarHBondContact O-N 3.25Å; L501-L505 WeakPolarHBondContact O-CB 3.49Å; L501-L505 WeakPolarHBondContact O-CG 3.25Å; L501-L505 PolarHBondContact O-N 3.42Å; L501-M581 HydrophobicContact CD1-CE 3.78Å; L501-M581 HydrophobicContact CD1-SD 3.74Å; L501-L612 HydrophobicContact CD1-CD1 4.18Å; L501-L612 HydrophobicContact CD2-CD2 3.84Å; L501-F616 HydrophobicContact CD2-CE2 3.95Å; L501-F616 HydrophobicContact CD2-CZ 4.34Å
502	F	94.4	Very high	93.4	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-55.7	-51.4	173.7	175.8	-111.1	0	0	0	110.8	L423 C483 V486 Y487 R498 Y499 A504 L505 S506 V574 I578	L423-F502 HydrophobicContact CD2-CD2 4.48Å; L423-F502 HydrophobicContact CD2-CE2 3.84Å; C483-F502 HydrophobicContact CB-CD1 4.19Å; C483-F502 HydrophobicContact CB-CE1 3.78Å; V486-F502 HydrophobicContact CG2-CE1 4.35Å; V486-F502 HydrophobicContact CG2-CZ 4.47Å; Y487-F502 HydrophobicContact CD2-CB 4.47Å; Y487-F502 AromaticContact CD2-CD1 3.67Å; Y487-F502 HydrophobicContact CD2-CD1 3.67Å; Y487-F502 HydrophobicContact CD2-CE1 4.15Å; Y487-F502 HydrophobicContact CD2-CG 4.18Å; Y487-F502 HydrophobicContact CE2-CB 4.29Å; Y487-F502 HydrophobicContact CE2-CD1 4.32Å; Y487-F502 HydrophobicContact CE2-CG 4.42Å; R498-F502 WeakPolarHBondContact O-CB 3.41Å; R498-F502 PolarHBondContact O-N 3.19Å; Y499-F502 PolarHBondContact O-N 3.47Å; F502-A504 PolarHBondContact O-N 3.41Å; F502-L505 PolarHBondContact O-N 2.9Å; F502-S506 VanDerWaalsContact O-CB 3.27Å; F502-S506 WeakPolarHBondContact O-CB 3.38Å; F502-S506 PolarHBondContact O-N 2.92Å; F502-S506 PolarHBondContact O-OG 3.4Å; F502-S506 VanDerWaalsContact O-OG 3.07Å; F502-V574 HydrophobicContact CD2-CB 4.5Å; F502-V574 HydrophobicContact CD2-CG1 3.75Å; F502-V574 HydrophobicContact CD2-CG2 4.02Å; F502-V574 HydrophobicContact CE2-CG1 3.85Å; F502-V574 HydrophobicContact CE2-CG2 4.38Å; F502-I578 HydrophobicContact CD2-CD1 4.23Å
503	M	94.7	Very high	93.6	Very high	17 Å²	17	31.1 Å²	31.1	8%	0.084	19%	0.193	C	C	.	.	H	α-helix	trans	-57.6	-45.6	177.4	-68.8	-85.7	-79.2	0	0	112.5	I480 C483 Y499 L501 T507	I480-M503 HydrophobicContact CB-CE 3.77Å; I480-M503 HydrophobicContact CG1-CE 3.74Å; I480-M503 HydrophobicContact CG2-CE 3.53Å; C483-M503 HydrophobicContact CB-CG 4.3Å; C483-M503 HydrophobicContact CB-SD 3.16Å; C483-M503 WeakPolarHBondContact CB-SD 3.43Å; Y499-M503 HydrophobicContact CD2-CG 4.04Å; Y499-M503 HydrophobicContact CE1-CE 4.39Å; Y499-M503 HydrophobicContact CE1-CG 4.25Å; Y499-M503 HydrophobicContact CE2-CE 4.37Å; Y499-M503 HydrophobicContact CE2-CG 3.7Å; Y499-M503 HydrophobicContact CE2-SD 3.86Å; Y499-M503 HydrophobicContact CG-CG 4.46Å; Y499-M503 WeakPolarHBondContact O-CB 3.46Å; Y499-M503 WeakPolarHBondContact O-CG 3.47Å; Y499-M503 PolarHBondContact O-N 3.03Å; Y499-M503 VanDerWaalsContact OH-CE 3.31Å; Y499-M503 WeakPolarHBondContact OH-CE 3.45Å; L501-M503 PolarHBondContact O-N 3.33Å; M503-T507 VanDerWaalsContact O-CB 3.25Å; M503-T507 WeakPolarHBondContact O-CB 3.28Å; M503-T507 PolarHBondContact O-N 2.94Å; M503-T507 PolarHBondContact O-OG1 2.92Å
504	A	95.3	Very high	93.9	Very high	37 Å²	37	30.6 Å²	30.6	31%	0.306	19%	0.189	S	C	.	.	H	α-helix	trans	-68.1	-41.5	-178.3	0	0	0	0	0	112.7	L500 L501 F502 S508 F616	L500-A504 WeakPolarHBondContact O-CB 3.35Å; L500-A504 PolarHBondContact O-N 3.43Å; L501-A504 PolarHBondContact O-N 3.25Å; F502-A504 PolarHBondContact O-N 3.41Å; A504-S508 VanDerWaalsContact O-CB 3.27Å; A504-S508 WeakPolarHBondContact O-CB 3.36Å; A504-S508 PolarHBondContact O-N 3.07Å; A504-S508 PolarHBondContact O-OG 2.96Å; A504-F616 HydrophobicContact CB-CE1 3.96Å; A504-F616 HydrophobicContact CB-CZ 3.78Å
505	L	95.1	Very high	94.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-69.8	-42.8	178.2	-73.3	164.4	0	0	0	111.9	L501 F502 S508 T509 G573 V574 F616 L619	L501-L505 WeakPolarHBondContact O-CB 3.49Å; L501-L505 WeakPolarHBondContact O-CG 3.25Å; L501-L505 PolarHBondContact O-N 3.42Å; F502-L505 PolarHBondContact O-N 2.9Å; L505-S508 PolarHBondContact O-N 3.39Å; L505-T509 WeakPolarHBondContact O-CB 3.46Å; L505-T509 PolarHBondContact O-N 3.31Å; L505-T509 PolarHBondContact O-OG1 3.27Å; L505-G573 VanDerWaalsContact CD1-O 3.28Å; L505-G573 WeakPolarHBondContact CD1-O 3.48Å; L505-V574 HydrophobicContact CB-CG2 3.96Å; L505-V574 HydrophobicContact CD1-CG2 4.31Å; L505-F616 HydrophobicContact CD2-CD1 4.05Å; L505-F616 HydrophobicContact CD2-CD2 4.36Å; L505-F616 HydrophobicContact CD2-CE1 3.71Å; L505-F616 HydrophobicContact CD2-CE2 4.08Å; L505-F616 HydrophobicContact CD2-CG 4.35Å; L505-F616 HydrophobicContact CD2-CZ 3.73Å; L505-F616 HydrophobicContact CG-CE1 3.96Å; L505-F616 HydrophobicContact CG-CE2 4.23Å; L505-F616 HydrophobicContact CG-CZ 3.66Å; L505-L619 HydrophobicContact CD2-CD1 4.1Å
506	S	94.9	Very high	94.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.2	-44.4	173.7	-68.4	0	0	0	0	112	M427 F502 T509 A510	M427-S506 PolarHBondContact SD-OG 3.47Å; M427-S506 VanDerWaalsContact SD-OG 3.34Å; F502-S506 VanDerWaalsContact O-CB 3.27Å; F502-S506 WeakPolarHBondContact O-CB 3.38Å; F502-S506 PolarHBondContact O-N 2.92Å; F502-S506 PolarHBondContact O-OG 3.4Å; F502-S506 VanDerWaalsContact O-OG 3.07Å; S506-T509 PolarHBondContact O-N 3.16Å; S506-A510 PolarHBondContact O-N 3.28Å
507	T	95.2	Very high	94.9	Very high	15 Å²	15	18.6 Å²	18.6	9%	0.092	11%	0.113	C	C	.	.	H	α-helix	trans	-66.1	-41.9	176.4	-57.2	0	0	0	0	111.9	V476 M503 T509 A510 L511	V476-T507 HydrophobicContact CB-CG2 4.25Å; V476-T507 HydrophobicContact CG1-CG2 4.28Å; V476-T507 HydrophobicContact CG2-CG2 3.79Å; M503-T507 VanDerWaalsContact O-CB 3.25Å; M503-T507 WeakPolarHBondContact O-CB 3.28Å; M503-T507 PolarHBondContact O-N 2.94Å; M503-T507 PolarHBondContact O-OG1 2.92Å; T507-T509 VanDerWaalsContact C-N 3.35Å; T507-T509 PolarHBondContact O-N 3.36Å; T507-A510 PolarHBondContact O-N 3.34Å; T507-L511 HydrophobicContact CG2-CD1 4.3Å; T507-L511 WeakPolarHBondContact O-CG 3.01Å; T507-L511 PolarHBondContact O-N 3.04Å
508	S	95.6	Very high	95.1	Very high	33 Å²	33	16.7 Å²	16.7	23%	0.231	9%	0.093	C	C	.	.	H	α-helix	trans	-62.4	-42.9	177.8	-61.8	0	0	0	0	111.5	A504 L505 A510 L511 V512	A504-S508 VanDerWaalsContact O-CB 3.27Å; A504-S508 WeakPolarHBondContact O-CB 3.36Å; A504-S508 PolarHBondContact O-N 3.07Å; A504-S508 PolarHBondContact O-OG 2.96Å; L505-S508 PolarHBondContact O-N 3.39Å; S508-A510 VanDerWaalsContact C-N 3.34Å; S508-A510 PolarHBondContact O-N 3.32Å; S508-L511 PolarHBondContact O-N 2.92Å; S508-V512 WeakPolarHBondContact O-CG2 3.08Å; S508-V512 PolarHBondContact O-N 3.37Å
509	T	95	Very high	95.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.3	-41.4	176.1	-58.6	0	0	0	0	111.4	M427 L505 S506 T507 L511 V512 A513 Y566	M427-T509 HydrophobicContact CE-CG2 3.82Å; M427-T509 WeakPolarHBondContact CE-OG1 3.3Å; L505-T509 WeakPolarHBondContact O-CB 3.46Å; L505-T509 PolarHBondContact O-N 3.31Å; L505-T509 PolarHBondContact O-OG1 3.27Å; S506-T509 PolarHBondContact O-N 3.16Å; T507-T509 VanDerWaalsContact C-N 3.35Å; T507-T509 PolarHBondContact O-N 3.36Å; T509-L511 PolarHBondContact O-N 3.1Å; T509-V512 PolarHBondContact O-N 3.01Å; T509-A513 WeakPolarHBondContact O-CB 3.4Å; T509-A513 PolarHBondContact O-N 3.21Å; T509-Y566 HydrophobicContact CG2-CD2 4.07Å; T509-Y566 HydrophobicContact CG2-CE2 3.98Å
510	A	95.8	Very high	95.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.3	-38.9	175.4	0	0	0	0	0	112.3	A434 P479 S506 T507 S508 A513 Q514	A434-A510 HydrophobicContact CB-CB 4.25Å; A434-A510 VanDerWaalsContact CB-O 3.29Å; A434-A510 WeakPolarHBondContact CB-O 3.48Å; P479-A510 HydrophobicContact CG-CB 4.08Å; S506-A510 PolarHBondContact O-N 3.28Å; T507-A510 PolarHBondContact O-N 3.34Å; S508-A510 VanDerWaalsContact C-N 3.34Å; S508-A510 PolarHBondContact O-N 3.32Å; A510-A513 PolarHBondContact O-N 3Å; A510-Q514 WeakPolarHBondContact O-CB 3.49Å; A510-Q514 PolarHBondContact O-N 3.49Å
511	L	96.1	Very high	95.3	Very high	29 Å²	29	12 Å²	12	15%	0.152	7%	0.071	C	C	.	.	H	α-helix	trans	-66.2	-37.8	175.4	-72.7	168.6	0	0	0	112.8	I472 Q475 T507 S508 T509 S515 F623	I472-L511 HydrophobicContact CG1-CD2 4.31Å; Q475-L511 HydrophobicContact CB-CD2 4.02Å; Q475-L511 HydrophobicContact CG-CD2 3.72Å; Q475-L511 HydrophobicContact CG-CG 4.36Å; T507-L511 HydrophobicContact CG2-CD1 4.3Å; T507-L511 WeakPolarHBondContact O-CG 3.01Å; T507-L511 PolarHBondContact O-N 3.04Å; S508-L511 PolarHBondContact O-N 2.92Å; T509-L511 PolarHBondContact O-N 3.1Å; L511-S515 PolarHBondContact O-N 3Å; L511-S515 VanDerWaalsContact O-N 3.1Å; L511-S515 PolarHBondContact O-OG 3.1Å; L511-F623 HydrophobicContact CB-CD2 4.2Å; L511-F623 HydrophobicContact CB-CE2 4.35Å
512	V	96.8	Very high	95.2	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.006	6%	0.061	C	C	.	.	H	α-helix	trans	-67.1	-46.1	174	176.4	0	0	0	0	110.4	S508 T509 Q514 S515 L516 Y566 L619 F622 F623 L626	S508-V512 WeakPolarHBondContact O-CG2 3.08Å; S508-V512 PolarHBondContact O-N 3.37Å; T509-V512 PolarHBondContact O-N 3.01Å; V512-Q514 VanDerWaalsContact C-N 3.34Å; V512-Q514 PolarHBondContact O-N 3.15Å; V512-S515 WeakPolarHBondContact O-CA 3.43Å; V512-S515 WeakPolarHBondContact O-CB 3.27Å; V512-S515 PolarHBondContact O-N 2.88Å; V512-L516 PolarHBondContact O-N 2.96Å; V512-Y566 HydrophobicContact CB-CD2 3.96Å; V512-Y566 HydrophobicContact CB-CE2 4.32Å; V512-Y566 HydrophobicContact CB-CG 4.32Å; V512-Y566 HydrophobicContact CG1-CD1 3.82Å; V512-Y566 HydrophobicContact CG1-CD2 3.53Å; V512-Y566 HydrophobicContact CG1-CE1 4.3Å; V512-Y566 HydrophobicContact CG1-CE2 4.03Å; V512-Y566 HydrophobicContact CG1-CG 3.41Å; V512-Y566 VanDerWaalsContact CG1-CG 3.41Å; V512-L619 HydrophobicContact CG2-CD2 4.33Å; V512-L619 WeakPolarHBondContact CG2-O 3.39Å; V512-F622 HydrophobicContact CG1-CB 3.89Å; V512-F622 HydrophobicContact CG2-CB 4.27Å; V512-F623 HydrophobicContact CG2-CB 4.06Å; V512-L626 HydrophobicContact CG1-CD1 3.81Å
513	A	95.8	Very high	95.1	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.2	-43.1	176.3	0	0	0	0	0	112.2	M431 A434 L435 T509 A510 S515 L516 G517 Y566	M431-A513 HydrophobicContact CB-CB 4.39Å; M431-A513 HydrophobicContact CG-CB 3.8Å; A434-A513 HydrophobicContact CB-CB 4.15Å; L435-A513 WeakPolarHBondContact CD1-O 3.48Å; T509-A513 WeakPolarHBondContact O-CB 3.4Å; T509-A513 PolarHBondContact O-N 3.21Å; A510-A513 PolarHBondContact O-N 3Å; A513-S515 VanDerWaalsContact C-N 3.28Å; A513-S515 PolarHBondContact O-N 3.38Å; A513-L516 PolarHBondContact O-N 2.67Å; A513-G517 PolarHBondContact O-N 3.47Å; A513-Y566 WeakPolarHBondContact CA-OH 3.24Å; A513-Y566 HydrophobicContact CB-CE2 4.08Å; A513-Y566 WeakPolarHBondContact CB-OH 3.14Å
514	Q	95.8	Very high	94.8	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.009	8%	0.082	C	C	.	.	H	α-helix	trans	-58.6	-41.1	173	-166.4	-165.8	30.8	0	0	111.9	A434 T438 Q475 A510 V512 G517 L518 R627	A434-Q514 HydrophobicContact CB-CB 4.31Å; T438-Q514 HydrophobicContact CG2-CG 3.55Å; Q475-Q514 HydrophobicContact CG-CB 4.41Å; A510-Q514 WeakPolarHBondContact O-CB 3.49Å; A510-Q514 PolarHBondContact O-N 3.49Å; V512-Q514 VanDerWaalsContact C-N 3.34Å; V512-Q514 PolarHBondContact O-N 3.15Å; Q514-G517 PolarHBondContact O-N 3.44Å; Q514-L518 WeakPolarHBondContact O-CG 3.37Å; Q514-L518 PolarHBondContact O-N 3.32Å; Q514-R627 VanDerWaalsContact OE1-NH2 3.14Å
515	S	96.3	Very high	94.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-67.7	-37.7	-179.6	-56.2	0	0	0	0	111.8	L511 V512 A513 G517 L518 L519 F623 R627	L511-S515 PolarHBondContact O-N 3Å; L511-S515 VanDerWaalsContact O-N 3.1Å; L511-S515 PolarHBondContact O-OG 3.1Å; V512-S515 WeakPolarHBondContact O-CA 3.43Å; V512-S515 WeakPolarHBondContact O-CB 3.27Å; V512-S515 PolarHBondContact O-N 2.88Å; A513-S515 VanDerWaalsContact C-N 3.28Å; A513-S515 PolarHBondContact O-N 3.38Å; S515-G517 VanDerWaalsContact C-N 3.34Å; S515-L518 PolarHBondContact O-N 2.98Å; S515-L519 PolarHBondContact O-N 3.32Å; S515-F623 WeakPolarHBondContact OG-CD2 3.47Å; S515-R627 PolarHBondContact OG-NE 3.4Å; S515-R627 PolarHBondContact OG-NH2 2.87Å
516	L	95.8	Very high	93.8	Very high	24 Å²	24	18 Å²	18	13%	0.126	12%	0.115	C	C	.	.	H	α-helix	trans	-62.2	-41.7	170.2	-179.9	62	0	0	0	111.3	L435 V512 A513 L518 L519 I520 Y566 L626	L435-L516 HydrophobicContact CD1-CB 4.03Å; L435-L516 HydrophobicContact CD1-CD2 4.16Å; L435-L516 HydrophobicContact CD1-CG 4.01Å; V512-L516 PolarHBondContact O-N 2.96Å; A513-L516 PolarHBondContact O-N 2.67Å; L516-L518 PolarHBondContact O-N 3.49Å; L516-L519 WeakPolarHBondContact O-CB 3.23Å; L516-L519 PolarHBondContact O-N 2.81Å; L516-I520 HydrophobicContact CD1-CD1 4.31Å; L516-I520 HydrophobicContact CD1-CG1 4.44Å; L516-I520 HydrophobicContact CG-CD1 4.05Å; L516-I520 WeakPolarHBondContact O-CG1 3.37Å; L516-I520 PolarHBondContact O-N 3.38Å; L516-Y566 HydrophobicContact CD2-CE1 4.09Å; L516-L626 HydrophobicContact CB-CD1 4.18Å; L516-L626 HydrophobicContact CD1-CD2 4.27Å
517	G	95.4	Very high	93.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.7	-41.2	178.1	0	0	0	0	0	112.9	L435 A513 Q514 S515 I520 G521	L435-G517 VanDerWaalsContact CD1-CA 3.49Å; L435-G517 VanDerWaalsContact CD1-N 3.31Å; A513-G517 PolarHBondContact O-N 3.47Å; Q514-G517 PolarHBondContact O-N 3.44Å; S515-G517 VanDerWaalsContact C-N 3.34Å; G517-I520 PolarHBondContact O-N 3.37Å; G517-G521 PolarHBondContact O-N 2.73Å
518	L	95	Very high	93.4	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-64.2	-39.1	172.8	-68.8	171.2	0	0	0	112.5	F442 Q514 S515 L516 G521 A522 T630	F442-L518 HydrophobicContact CB-CD2 3.95Å; F442-L518 HydrophobicContact CD2-CD2 3.36Å; F442-L518 HydrophobicContact CE2-CD2 3.97Å; F442-L518 HydrophobicContact CG-CD2 3.69Å; Q514-L518 WeakPolarHBondContact O-CG 3.37Å; Q514-L518 PolarHBondContact O-N 3.32Å; S515-L518 PolarHBondContact O-N 2.98Å; L516-L518 PolarHBondContact O-N 3.49Å; L518-G521 PolarHBondContact O-N 2.98Å; L518-A522 VanDerWaalsContact O-CB 3.29Å; L518-A522 WeakPolarHBondContact O-CB 3.4Å; L518-A522 PolarHBondContact O-N 3.37Å; L518-T630 HydrophobicContact CB-CG2 4.1Å
519	L	95.8	Very high	93.2	Very high	38 Å²	38	30 Å²	30	20%	0.199	17%	0.173	C	C	.	.	H	α-helix	trans	-61.9	-47.8	174.3	177.8	61.2	0	0	0	111.5	S515 L516 G521 A522 A523 L626 A629 T630 A633	S515-L519 PolarHBondContact O-N 3.32Å; L516-L519 WeakPolarHBondContact O-CB 3.23Å; L516-L519 PolarHBondContact O-N 2.81Å; L519-G521 VanDerWaalsContact C-N 3.34Å; L519-G521 PolarHBondContact O-N 3.22Å; L519-A522 PolarHBondContact O-N 3.07Å; L519-A523 VanDerWaalsContact O-CB 3.24Å; L519-A523 WeakPolarHBondContact O-CB 3.36Å; L519-A523 PolarHBondContact O-N 3.29Å; L519-L626 HydrophobicContact CD2-CD2 3.87Å; L519-A629 HydrophobicContact CD1-CB 4.02Å; L519-A629 HydrophobicContact CD2-CB 4.24Å; L519-T630 WeakPolarHBondContact CA-OG1 3.36Å; L519-T630 WeakPolarHBondContact CB-OG1 3.43Å; L519-T630 PolarHBondContact N-OG1 3.44Å; L519-A633 HydrophobicContact CD1-CB 4.26Å
520	I	95.2	Very high	93	Very high	11 Å²	11	30 Å²	30	6%	0.056	17%	0.173	C	C	.	.	H	α-helix	trans	-61.3	-45	177.3	-65.9	168.1	0	0	0	110	L435 V439 L516 G517 A522 A523 S524 A530 V533 T537	L435-I520 HydrophobicContact CD1-CD1 4.49Å; V439-I520 HydrophobicContact CG1-CG2 4.21Å; V439-I520 HydrophobicContact CG2-CB 4.25Å; V439-I520 HydrophobicContact CG2-CD1 4.47Å; V439-I520 HydrophobicContact CG2-CG2 4.24Å; L516-I520 HydrophobicContact CD1-CD1 4.31Å; L516-I520 HydrophobicContact CD1-CG1 4.44Å; L516-I520 HydrophobicContact CG-CD1 4.05Å; L516-I520 WeakPolarHBondContact O-CG1 3.37Å; L516-I520 PolarHBondContact O-N 3.38Å; G517-I520 PolarHBondContact O-N 3.37Å; I520-A522 PolarHBondContact O-N 3.17Å; I520-A523 PolarHBondContact O-N 3.48Å; I520-S524 VanDerWaalsContact O-CB 3.23Å; I520-S524 WeakPolarHBondContact O-CB 3.05Å; I520-S524 PolarHBondContact O-N 3.34Å; I520-S524 PolarHBondContact O-OG 2.9Å; I520-A530 HydrophobicContact CG2-CB 4.48Å; I520-V533 HydrophobicContact CD1-CG1 4.35Å; I520-V533 HydrophobicContact CG1-CG1 4.22Å; I520-V533 HydrophobicContact CG2-CB 4.07Å; I520-V533 HydrophobicContact CG2-CG1 3.89Å; I520-T537 WeakPolarHBondContact CD1-OG1 3.31Å
521	G	93	Very high	92.8	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.8	-42.4	176.8	0	0	0	0	0	113	G517 L518 L519	G517-G521 PolarHBondContact O-N 2.73Å; L518-G521 PolarHBondContact O-N 2.98Å; L519-G521 VanDerWaalsContact C-N 3.34Å; L519-G521 PolarHBondContact O-N 3.22Å
522	A	92.3	Very high	92.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-70.1	-35.9	178.2	0	0	0	0	0	113	F442 L518 L519 I520 T630 A633	F442-A522 HydrophobicContact CD1-CB 4.29Å; F442-A522 HydrophobicContact CE1-CB 3.6Å; F442-A522 HydrophobicContact CZ-CB 4.48Å; L518-A522 VanDerWaalsContact O-CB 3.29Å; L518-A522 WeakPolarHBondContact O-CB 3.4Å; L518-A522 PolarHBondContact O-N 3.37Å; L519-A522 PolarHBondContact O-N 3.07Å; I520-A522 PolarHBondContact O-N 3.17Å; A522-T630 HydrophobicContact CB-CG2 3.9Å; A522-A633 HydrophobicContact CB-CB 4.32Å
523	A	91.5	Very high	92.4	Very high	56 Å²	56	41 Å²	41	46%	0.463	23%	0.228	S	C	.	.	H	α-helix	trans	-79.1	-28.9	-178.3	0	0	0	0	0	112.5	L519 I520 R637	L519-A523 VanDerWaalsContact O-CB 3.24Å; L519-A523 WeakPolarHBondContact O-CB 3.36Å; L519-A523 PolarHBondContact O-N 3.29Å; I520-A523 PolarHBondContact O-N 3.48Å; A523-R637 PolarHBondContact O-NH2 3.44Å
524	S	89.6	Confident	92.2	Very high	10 Å²	10	41 Å²	41	7%	0.07	23%	0.228	C	C	.	.			trans	-73.2	140.5	-174.4	-63.4	0	0	0	0	112.9	I520 A530 R637	I520-S524 VanDerWaalsContact O-CB 3.23Å; I520-S524 WeakPolarHBondContact O-CB 3.05Å; I520-S524 PolarHBondContact O-N 3.34Å; I520-S524 PolarHBondContact O-OG 2.9Å; S524-A530 WeakPolarHBondContact OG-CA 3.28Å; S524-A530 WeakPolarHBondContact OG-CB 3.16Å; S524-R637 PolarHBondContact O-NH2 2.02Å
525	T	82.2	Confident	92	Very high	110 Å²	110	43.2 Å²	43.2	68%	0.675	24%	0.243	S	C	*	.	S	Bend	trans	-85.8	-25.7	178.8	47.7	0	0	0	0	112.8	R637	T525-R637 VanDerWaalsContact CA-NH2 3.34Å
526	S	87.6	Confident	91.9	Very high	44 Å²	44	46.9 Å²	46.9	31%	0.308	27%	0.265	S	S	.	.	S	Bend	trans	-140.8	158.7	178.1	71.3	0	0	0	0	110.5	Q528 V529 A530	S526-Q528 VanDerWaalsContact C-N 3.28Å; S526-Q528 PolarHBondContact O-N 2.72Å; S526-V529 PolarHBondContact O-N 2.95Å; S526-V529 WeakPolarHBondContact OG-CG2 3.35Å; S526-V529 PolarHBondContact OG-N 3.46Å; S526-A530 PolarHBondContact O-N 3Å; S526-A530 VanDerWaalsContact O-N 3.14Å
527	L	88.6	Confident	91.7	Very high	72 Å²	72	48 Å²	48	38%	0.377	27%	0.273	S	S	.	.	H	α-helix	trans	-60.6	-39.1	176.7	-175.3	62	0	0	0	111.6	L440 V529 A530 T531	L440-L527 HydrophobicContact CB-CD1 4.45Å; L440-L527 HydrophobicContact CD2-CD1 3.84Å; L440-L527 HydrophobicContact CD2-CG 4.48Å; L440-L527 WeakPolarHBondContact O-CD1 3.42Å; L527-V529 PolarHBondContact O-N 2.86Å; L527-A530 WeakPolarHBondContact O-CB 3.25Å; L527-A530 PolarHBondContact O-N 3.31Å; L527-T531 PolarHBondContact O-N 3.39Å; L527-T531 PolarHBondContact O-OG1 3.33Å
528	Q	91.6	Very high	91.5	Very high	166 Å²	166	48 Å²	48	78%	0.776	27%	0.273	S	S	*	.	H	α-helix	trans	-61.2	-43.5	179.2	-66.3	172	-10.8	0	0	112.1	S526 F532	S526-Q528 VanDerWaalsContact C-N 3.28Å; S526-Q528 PolarHBondContact O-N 2.72Å; Q528-F532 PolarHBondContact O-N 2.83Å
529	V	91.1	Very high	91.3	Very high	64 Å²	64	52.7 Å²	52.7	39%	0.388	30%	0.297	S	S	.	.	H	α-helix	trans	-65	-43	176.6	172.9	0	0	0	0	110.3	S526 L527 T531 F532 V533	S526-V529 PolarHBondContact O-N 2.95Å; S526-V529 WeakPolarHBondContact OG-CG2 3.35Å; S526-V529 PolarHBondContact OG-N 3.46Å; L527-V529 PolarHBondContact O-N 2.86Å; V529-T531 PolarHBondContact O-N 3.11Å; V529-F532 PolarHBondContact O-N 3.26Å; V529-V533 HydrophobicContact CG1-CG2 4.09Å; V529-V533 WeakPolarHBondContact O-CB 3.2Å; V529-V533 VanDerWaalsContact O-CG2 3.25Å; V529-V533 WeakPolarHBondContact O-CG2 3.31Å; V529-V533 PolarHBondContact O-N 2.98Å
530	A	91.4	Very high	91	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.9	-48.4	178.5	0	0	0	0	0	111.8	V439 P443 I520 S524 S526 L527 F532 V533 G534	V439-A530 VanDerWaalsContact CG1-C 3.43Å; V439-A530 HydrophobicContact CG1-CB 3.77Å; V439-A530 WeakPolarHBondContact CG1-O 3.3Å; P443-A530 HydrophobicContact CG-CB 4.41Å; I520-A530 HydrophobicContact CG2-CB 4.48Å; S524-A530 WeakPolarHBondContact OG-CA 3.28Å; S524-A530 WeakPolarHBondContact OG-CB 3.16Å; S526-A530 PolarHBondContact O-N 3Å; S526-A530 VanDerWaalsContact O-N 3.14Å; L527-A530 WeakPolarHBondContact O-CB 3.25Å; L527-A530 PolarHBondContact O-N 3.31Å; A530-F532 VanDerWaalsContact C-N 3.28Å; A530-F532 PolarHBondContact O-N 3.46Å; A530-V533 PolarHBondContact O-N 3.05Å; A530-G534 PolarHBondContact O-N 3.28Å
531	T	91.4	Very high	90.8	Very high	63 Å²	63	54.5 Å²	54.5	39%	0.387	31%	0.311	S	S	.	.	H	α-helix	trans	-61.6	-33.9	179.1	-53	0	0	0	0	112.7	L440 L527 V529 P535	L440-T531 HydrophobicContact CD2-CG2 4.4Å; L440-T531 WeakPolarHBondContact CD2-OG1 3.42Å; L527-T531 PolarHBondContact O-N 3.39Å; L527-T531 PolarHBondContact O-OG1 3.33Å; V529-T531 PolarHBondContact O-N 3.11Å; T531-P535 WeakPolarHBondContact O-CD 3.36Å
532	F	92.9	Very high	90.7	Very high	150 Å²	150	55.2 Å²	55.2	66%	0.658	32%	0.315	S	S	*	.	H	α-helix	trans	-75.4	-42.2	176.2	-175.4	-98.5	0	0	0	112.4	Q528 V529 A530 G534 P535 V536	Q528-F532 PolarHBondContact O-N 2.83Å; V529-F532 PolarHBondContact O-N 3.26Å; A530-F532 VanDerWaalsContact C-N 3.28Å; A530-F532 PolarHBondContact O-N 3.46Å; F532-G534 VanDerWaalsContact C-N 3.32Å; F532-G534 PolarHBondContact O-N 3.46Å; F532-P535 WeakPolarHBondContact O-CD 3.23Å; F532-V536 HydrophobicContact CD1-CG2 4.22Å; F532-V536 HydrophobicContact CE1-CG2 3.86Å; F532-V536 HydrophobicContact CZ-CG2 4.03Å; F532-V536 VanDerWaalsContact O-CG2 3.26Å; F532-V536 WeakPolarHBondContact O-CG2 3.39Å
533	V	92.6	Very high	90.6	Very high	47 Å²	47	58.9 Å²	58.9	29%	0.285	33%	0.334	S	S	.	.	H	α-helix	trans	-68.5	-30.9	-178.2	173	0	0	0	0	112	I520 V529 A530 V536 T537	I520-V533 HydrophobicContact CD1-CG1 4.35Å; I520-V533 HydrophobicContact CG1-CG1 4.22Å; I520-V533 HydrophobicContact CG2-CB 4.07Å; I520-V533 HydrophobicContact CG2-CG1 3.89Å; V529-V533 HydrophobicContact CG1-CG2 4.09Å; V529-V533 WeakPolarHBondContact O-CB 3.2Å; V529-V533 VanDerWaalsContact O-CG2 3.25Å; V529-V533 WeakPolarHBondContact O-CG2 3.31Å; V529-V533 PolarHBondContact O-N 2.98Å; A530-V533 PolarHBondContact O-N 3.05Å; V533-V536 PolarHBondContact O-N 3.2Å; V533-T537 HydrophobicContact CG1-CG2 3.84Å; V533-T537 WeakPolarHBondContact O-CB 3.37Å; V533-T537 WeakPolarHBondContact O-CG2 3.36Å; V533-T537 PolarHBondContact O-N 3.35Å; V533-T537 PolarHBondContact O-OG1 3.14Å
534	G	91.6	Very high	90.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-50.9	-65.6	177.4	0	0	0	0	0	113.4	A530 F532 V536 T537 A538	A530-G534 PolarHBondContact O-N 3.28Å; F532-G534 VanDerWaalsContact C-N 3.32Å; F532-G534 PolarHBondContact O-N 3.46Å; G534-V536 PolarHBondContact O-N 2.62Å; G534-T537 PolarHBondContact O-N 3.12Å; G534-T537 PolarHBondContact O-OG1 3.34Å; G534-A538 WeakPolarHBondContact O-CB 3.47Å; G534-A538 PolarHBondContact O-N 2.8Å; G534-A538 VanDerWaalsContact O-N 3.1Å
535	P	91.6	Very high	90.5	Very high	49 Å²	49	57.4 Å²	57.4	32%	0.318	32%	0.317	S	S	.	.	H	α-helix	trans	-63.5	-38.4	179.7	-22.2	31.8	0	0	0	113.3	M436 T531 F532 T537 A538 I539	M436-P535 HydrophobicContact CE-CB 4.26Å; M436-P535 HydrophobicContact CE-CG 3.58Å; M436-P535 HydrophobicContact SD-CG 4.48Å; T531-P535 WeakPolarHBondContact O-CD 3.36Å; F532-P535 WeakPolarHBondContact O-CD 3.23Å; P535-T537 VanDerWaalsContact C-N 3.26Å; P535-T537 PolarHBondContact O-N 3.46Å; P535-A538 PolarHBondContact O-N 3.34Å; P535-A538 VanDerWaalsContact O-N 3.12Å; P535-I539 WeakPolarHBondContact O-CG1 3.38Å; P535-I539 PolarHBondContact O-N 2.63Å
536	V	93.3	Very high	90.6	Very high	76 Å²	76	53 Å²	53	46%	0.461	29%	0.293	S	S	.	.	H	α-helix	trans	-61.8	-34.8	-179	171.4	0	0	0	0	111.9	F532 V533 G534 P540	F532-V536 HydrophobicContact CD1-CG2 4.22Å; F532-V536 HydrophobicContact CE1-CG2 3.86Å; F532-V536 HydrophobicContact CZ-CG2 4.03Å; F532-V536 VanDerWaalsContact O-CG2 3.26Å; F532-V536 WeakPolarHBondContact O-CG2 3.39Å; V533-V536 PolarHBondContact O-N 3.2Å; G534-V536 PolarHBondContact O-N 2.62Å; V536-P540 WeakPolarHBondContact O-CD 3.49Å
537	T	91.7	Very high	90.6	Very high	47 Å²	47	53.6 Å²	53.6	29%	0.288	29%	0.29	S	S	.	.	H	α-helix	trans	-81.1	-30.8	174.4	55	0	0	0	0	112.8	I520 V533 G534 P535 V541	I520-T537 WeakPolarHBondContact CD1-OG1 3.31Å; V533-T537 HydrophobicContact CG1-CG2 3.84Å; V533-T537 WeakPolarHBondContact O-CB 3.37Å; V533-T537 WeakPolarHBondContact O-CG2 3.36Å; V533-T537 PolarHBondContact O-N 3.35Å; V533-T537 PolarHBondContact O-OG1 3.14Å; G534-T537 PolarHBondContact O-N 3.12Å; G534-T537 PolarHBondContact O-OG1 3.34Å; P535-T537 VanDerWaalsContact C-N 3.26Å; P535-T537 PolarHBondContact O-N 3.46Å; T537-V541 WeakPolarHBondContact O-CG2 3.45Å
538	A	90.9	Very high	90.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-71.1	-40.1	179.8	0	0	0	0	0	113.4	M431 F432 L435 G534 P535 V541 L542	M431-A538 HydrophobicContact CE-CB 4.05Å; F432-A538 HydrophobicContact CE1-CB 3.76Å; F432-A538 HydrophobicContact CZ-CB 3.92Å; L435-A538 HydrophobicContact CD2-CB 3.98Å; G534-A538 WeakPolarHBondContact O-CB 3.47Å; G534-A538 PolarHBondContact O-N 2.8Å; G534-A538 VanDerWaalsContact O-N 3.1Å; P535-A538 PolarHBondContact O-N 3.34Å; P535-A538 VanDerWaalsContact O-N 3.12Å; A538-V541 WeakPolarHBondContact O-CB 3.22Å; A538-V541 PolarHBondContact O-N 3.2Å; A538-L542 WeakPolarHBondContact O-CG 3.32Å; A538-L542 PolarHBondContact O-N 3.42Å
539	I	91	Very high	90.2	Very high	103 Å²	103	50.4 Å²	50.4	53%	0.528	28%	0.275	S	S	.	.	H	α-helix	trans	-59.7	-48.8	-175.2	-68.6	162.6	0	0	0	112.5	P535 V541 L542 L543	P535-I539 WeakPolarHBondContact O-CG1 3.38Å; P535-I539 PolarHBondContact O-N 2.63Å; I539-V541 VanDerWaalsContact C-N 3.33Å; I539-V541 PolarHBondContact O-N 3.22Å; I539-L542 PolarHBondContact O-N 3.3Å; I539-L543 PolarHBondContact O-N 2.98Å
540	P	90.3	Very high	89.8	Confident	64 Å²	64	50 Å²	50	42%	0.416	27%	0.27	S	S	.	.	H	α-helix	trans	-61.9	-39	176.3	-24.7	35.2	0	0	0	113	V536 L542 L543 F544	V536-P540 WeakPolarHBondContact O-CD 3.49Å; P540-L542 VanDerWaalsContact C-N 3.27Å; P540-L542 PolarHBondContact O-N 3.19Å; P540-L543 PolarHBondContact O-N 3.4Å; P540-F544 VanDerWaalsContact O-CD2 3.23Å; P540-F544 WeakPolarHBondContact O-CD2 3.4Å; P540-F544 PolarHBondContact O-N 2.98Å
541	V	91.7	Very high	89.3	Confident	24 Å²	24	52.3 Å²	52.3	15%	0.145	28%	0.28	C	S	.	.	H	α-helix	trans	-60.5	-40.3	176.6	172.4	0	0	0	0	110.5	T537 A538 I539 S565 Y566 V567	T537-V541 WeakPolarHBondContact O-CG2 3.45Å; A538-V541 WeakPolarHBondContact O-CB 3.22Å; A538-V541 PolarHBondContact O-N 3.2Å; I539-V541 VanDerWaalsContact C-N 3.33Å; I539-V541 PolarHBondContact O-N 3.22Å; V541-S565 WeakPolarHBondContact CG1-OG 3.38Å; V541-S565 WeakPolarHBondContact O-CB 3.41Å; V541-S565 PolarHBondContact O-OG 3.5Å; V541-Y566 HydrophobicContact CG1-CD1 4.03Å; V541-Y566 HydrophobicContact CG1-CE1 3.77Å; V541-V567 HydrophobicContact CG1-CB 4.12Å; V541-V567 HydrophobicContact CG1-CG2 3.63Å
542	L	90.8	Very high	88.9	Confident	14 Å²	14	55 Å²	55	7%	0.073	29%	0.292	C	S	.	.	H	α-helix	trans	-70.2	-41.4	176.2	-70.4	173.7	0	0	0	113.2	F424 L428 M431 F432 A538 I539 P540 F544 S545 V567	F424-L542 HydrophobicContact CZ-CD2 4.21Å; L428-L542 HydrophobicContact CB-CD2 4.46Å; L428-L542 HydrophobicContact CD1-CD1 3.96Å; L428-L542 HydrophobicContact CD1-CD2 4.16Å; L428-L542 HydrophobicContact CG-CD1 4.27Å; L428-L542 HydrophobicContact CG-CD2 4.2Å; M431-L542 HydrophobicContact CE-CD1 3.73Å; M431-L542 HydrophobicContact CE-CD2 3.67Å; M431-L542 HydrophobicContact CE-CG 3.75Å; M431-L542 HydrophobicContact SD-CD2 3.87Å; M431-L542 HydrophobicContact SD-CG 4.23Å; F432-L542 HydrophobicContact CE2-CD1 3.66Å; F432-L542 HydrophobicContact CZ-CD1 3.92Å; A538-L542 WeakPolarHBondContact O-CG 3.32Å; A538-L542 PolarHBondContact O-N 3.42Å; I539-L542 PolarHBondContact O-N 3.3Å; P540-L542 VanDerWaalsContact C-N 3.27Å; P540-L542 PolarHBondContact O-N 3.19Å; L542-F544 VanDerWaalsContact C-N 3.3Å; L542-F544 PolarHBondContact O-N 3.12Å; L542-S545 WeakPolarHBondContact O-CB 3.36Å; L542-S545 PolarHBondContact O-N 3.43Å; L542-S545 PolarHBondContact O-OG 3.23Å; L542-V567 HydrophobicContact CD2-CG1 4.3Å
543	L	90.3	Very high	88.6	Confident	78 Å²	78	52.5 Å²	52.5	41%	0.408	29%	0.289	S	S	.	.	H	α-helix	trans	-63.6	-38	-176.9	-172.7	141.4	0	0	0	111.8	I539 P540 S545	I539-L543 PolarHBondContact O-N 2.98Å; P540-L543 PolarHBondContact O-N 3.4Å; L543-S545 VanDerWaalsContact C-N 3.33Å; L543-S545 PolarHBondContact O-N 3.38Å
544	F	88.9	Confident	88.4	Confident	34 Å²	34	50.6 Å²	50.6	15%	0.149	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	22.2	178.9	-61.6	-68.7	0	0	0	114.2	P540 L542 G546 I554 S561 S562	P540-F544 VanDerWaalsContact O-CD2 3.23Å; P540-F544 WeakPolarHBondContact O-CD2 3.4Å; P540-F544 PolarHBondContact O-N 2.98Å; L542-F544 VanDerWaalsContact C-N 3.3Å; L542-F544 PolarHBondContact O-N 3.12Å; F544-G546 VanDerWaalsContact C-N 3.3Å; F544-G546 PolarHBondContact O-N 3.1Å; F544-I554 HydrophobicContact CD1-CD1 4.03Å; F544-S561 WeakPolarHBondContact CD1-OG 3.23Å; F544-S561 VanDerWaalsContact CD2-OG 3.31Å; F544-S561 WeakPolarHBondContact CD2-OG 3.34Å; F544-S561 WeakPolarHBondContact CE1-OG 3.03Å; F544-S561 VanDerWaalsContact CE2-OG 3.3Å; F544-S561 WeakPolarHBondContact CE2-OG 3.47Å; F544-S561 WeakPolarHBondContact CG-OG 3.37Å; F544-S561 WeakPolarHBondContact CZ-OG 3.23Å; F544-S562 PolarHBondContact O-OG 3.4Å; F544-S562 VanDerWaalsContact O-OG 3.12Å
545	S	88.9	Confident	88.3	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.007	30%	0.296	C	S	.	.	S	Bend	trans	-76.5	-7.6	179.8	61	0	0	0	0	115.2	F424 L542 L543 R568	F424-S545 WeakPolarHBondContact CE2-OG 3.3Å; L542-S545 WeakPolarHBondContact O-CB 3.36Å; L542-S545 PolarHBondContact O-N 3.43Å; L542-S545 PolarHBondContact O-OG 3.23Å; L543-S545 VanDerWaalsContact C-N 3.33Å; L543-S545 PolarHBondContact O-N 3.38Å; S545-R568 WeakPolarHBondContact O-CA 3.49Å
546	G	84.6	Confident	88.2	Confident	17 Å²	17	59.8 Å²	59.8	18%	0.175	32%	0.318	C	S	.	.	S	Bend	trans	90.8	-12	-175.8	0	0	0	0	0	114.8	F544	F544-G546 VanDerWaalsContact C-N 3.3Å; F544-G546 PolarHBondContact O-N 3.1Å
547	F	87.4	Confident	88.1	Confident	56 Å²	56	64.3 Å²	64.3	25%	0.246	33%	0.328	C	S	.	.	S	Bend	trans	-80.4	-46	176.2	177.9	-102.6	0	0	0	113.5	T420 F424 F571	T420-F547 HydrophobicContact CG2-CD2 4.14Å; T420-F547 HydrophobicContact CG2-CE2 4.11Å; F424-F547 HydrophobicContact CB-CB 4.37Å; F424-F547 HydrophobicContact CB-CD1 4.25Å; F424-F547 HydrophobicContact CB-CD2 3.82Å; F424-F547 HydrophobicContact CB-CE2 4.15Å; F424-F547 HydrophobicContact CB-CG 3.88Å; F424-F547 HydrophobicContact CD1-CB 4.41Å; F424-F547 AromaticContact CD1-CD1 3.46Å; F424-F547 HydrophobicContact CD1-CD1 3.46Å; F424-F547 VanDerWaalsContact CD1-CD1 3.46Å; F424-F547 AromaticContact CD1-CE1 3.79Å; F424-F547 HydrophobicContact CD1-CE1 3.79Å; F424-F547 AromaticContact CD1-CG 3.89Å; F424-F547 HydrophobicContact CD1-CG 3.89Å; F424-F547 HydrophobicContact CD1-CZ 4.47Å; F424-F547 HydrophobicContact CD2-CB 3.49Å; F424-F547 VanDerWaalsContact CD2-CB 3.49Å; F424-F547 HydrophobicContact CD2-CD1 4.13Å; F424-F547 HydrophobicContact CD2-CD2 4.5Å; F424-F547 AromaticContact CD2-CG 3.79Å; F424-F547 HydrophobicContact CD2-CG 3.79Å; F424-F547 AromaticContact CE1-CD1 3.78Å; F424-F547 HydrophobicContact CE1-CD1 3.78Å; F424-F547 HydrophobicContact CE1-CE1 4.3Å; F424-F547 HydrophobicContact CE1-CG 4.41Å; F424-F547 HydrophobicContact CE2-CB 3.83Å; F424-F547 HydrophobicContact CE2-CD1 4.42Å; F424-F547 HydrophobicContact CE2-CG 4.35Å; F424-F547 HydrophobicContact CG-CB 3.82Å; F424-F547 AromaticContact CG-CD1 3.66Å; F424-F547 HydrophobicContact CG-CD1 3.66Å; F424-F547 HydrophobicContact CG-CD2 4.03Å; F424-F547 HydrophobicContact CG-CE1 4.23Å; F424-F547 AromaticContact CG-CG 3.54Å; F424-F547 HydrophobicContact CG-CG 3.54Å; F424-F547 HydrophobicContact CZ-CB 4.41Å; F424-F547 HydrophobicContact CZ-CD1 4.25Å; F547-F571 HydrophobicContact CB-CD1 4.43Å; F547-F571 HydrophobicContact CB-CE1 3.94Å; F547-F571 HydrophobicContact CB-CZ 4.1Å; F547-F571 HydrophobicContact CD2-CE1 4.38Å; F547-F571 HydrophobicContact CD2-CE2 4.41Å; F547-F571 AromaticContact CD2-CZ 3.8Å; F547-F571 HydrophobicContact CD2-CZ 3.8Å; F547-F571 HydrophobicContact CG-CZ 4.4Å
548	F	86.1	Confident	87.9	Confident	125 Å²	125	65 Å²	65	55%	0.548	33%	0.33	S	S	.	.	S	Bend	trans	-84.5	-30.9	-177.2	-71	-68.8	0	0	0	113.6	F424	F424-F548 HydrophobicContact CE1-CD2 4.38Å; F424-F548 AromaticContact CE1-CE2 3.49Å; F424-F548 HydrophobicContact CE1-CE2 3.49Å; F424-F548 VanDerWaalsContact CE1-CE2 3.49Å; F424-F548 AromaticContact CE1-CZ 3.8Å; F424-F548 HydrophobicContact CE1-CZ 3.8Å; F424-F548 HydrophobicContact CZ-CD2 4.11Å; F424-F548 AromaticContact CZ-CE2 3.52Å; F424-F548 HydrophobicContact CZ-CE2 3.52Å; F424-F548 HydrophobicContact CZ-CZ 4.3Å
549	V	84.9	Confident	87.7	Confident	47 Å²	47	67.2 Å²	67.2	29%	0.285	34%	0.34	S	S	.	.	S	Bend	trans	-140.6	120.9	-178.1	-171.5	0	0	0	0	107.7	T553 I554	V549-T553 WeakPolarHBondContact CG1-OG1 3.31Å; V549-I554 HydrophobicContact CB-CG1 4.39Å; V549-I554 HydrophobicContact CG1-CD1 4.35Å; V549-I554 HydrophobicContact CG1-CG1 3.56Å
550	N	83.4	Confident	87.6	Confident	54 Å²	54	70.3 Å²	70.3	29%	0.289	35%	0.345	S	S	.	.			trans	-70	145.8	176.7	-70.3	8.1	0	0	0	110.2	D552 T553 I554 L604	N550-D552 VanDerWaalsContact C-N 3.34Å; N550-D552 PolarHBondContact O-N 2.92Å; N550-T553 HydrophobicContact CB-CG2 4.32Å; N550-T553 PolarHBondContact O-N 3.28Å; N550-T553 PolarHBondContact O-OG1 2.91Å; N550-I554 PolarHBondContact O-N 3.37Å; N550-L604 PolarHBondContact ND2-O 2.87Å
551	F	82.1	Confident	87.4	Confident	49 Å²	49	68.1 Å²	68.1	22%	0.215	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-57.1	-44.6	-172.6	-178.8	-97.2	0	0	0	112.9	T553 I554 Q559 Y563	F551-T553 VanDerWaalsContact C-N 3.26Å; F551-T553 PolarHBondContact O-N 3.37Å; F551-I554 WeakPolarHBondContact O-CB 3.43Å; F551-I554 PolarHBondContact O-N 2.89Å; F551-I554 VanDerWaalsContact O-N 3.14Å; F551-Q559 HydrophobicContact CE2-CB 4.17Å; F551-Q559 HydrophobicContact CE2-CG 4.41Å; F551-Q559 HydrophobicContact CZ-CB 4.15Å; F551-Q559 HydrophobicContact CZ-CG 4.28Å; F551-Y563 HydrophobicContact CE2-CD2 4.4Å; F551-Y563 AromaticContact CE2-CE2 3.63Å; F551-Y563 HydrophobicContact CE2-CE2 3.63Å; F551-Y563 AromaticContact CE2-CZ 3.79Å; F551-Y563 AromaticContact CZ-CE2 3.7Å; F551-Y563 HydrophobicContact CZ-CE2 3.7Å; F551-Y563 AromaticContact CZ-CZ 3.68Å; F551-Y563 VanDerWaalsContact CZ-OH 3.22Å; F551-Y563 WeakPolarHBondContact CZ-OH 3.45Å
552	D	82.3	Confident	87.2	Confident	120 Å²	120	67 Å²	67	64%	0.642	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-62	-29.2	178.3	-77.7	-18.9	0	0	0	114.8	N550 I554	N550-D552 VanDerWaalsContact C-N 3.34Å; N550-D552 PolarHBondContact O-N 2.92Å; D552-I554 VanDerWaalsContact C-N 3.33Å
553	T	86.3	Confident	87.2	Confident	97 Å²	97	72 Å²	72	60%	0.595	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-81.9	-14.3	179.9	66	0	0	0	0	113	V549 N550 F551	V549-T553 WeakPolarHBondContact CG1-OG1 3.31Å; N550-T553 HydrophobicContact CB-CG2 4.32Å; N550-T553 PolarHBondContact O-N 3.28Å; N550-T553 PolarHBondContact O-OG1 2.91Å; F551-T553 VanDerWaalsContact C-N 3.26Å; F551-T553 PolarHBondContact O-N 3.37Å
554	I	87.9	Confident	87.1	Confident	8 Å²	8	72.1 Å²	72.1	4%	0.041	35%	0.348	C	S	.	.	S	Bend	trans	-72.3	128.4	179.4	-60.6	170.9	0	0	0	108.7	F544 V549 N550 F551 D552 K556 L558 Q559	F544-I554 HydrophobicContact CD1-CD1 4.03Å; V549-I554 HydrophobicContact CB-CG1 4.39Å; V549-I554 HydrophobicContact CG1-CD1 4.35Å; V549-I554 HydrophobicContact CG1-CG1 3.56Å; N550-I554 PolarHBondContact O-N 3.37Å; F551-I554 WeakPolarHBondContact O-CB 3.43Å; F551-I554 PolarHBondContact O-N 2.89Å; F551-I554 VanDerWaalsContact O-N 3.14Å; D552-I554 VanDerWaalsContact C-N 3.33Å; I554-K556 PolarHBondContact O-N 3.1Å; I554-L558 HydrophobicContact CG2-CB 3.76Å; I554-Q559 HydrophobicContact CB-CG 4.04Å; I554-Q559 HydrophobicContact CG2-CG 3.99Å; I554-Q559 WeakPolarHBondContact O-CG 3.08Å; I554-Q559 PolarHBondContact O-NE2 2.74Å; I554-Q559 VanDerWaalsContact O-NE2 3.15Å
555	P	90.3	Very high	87.3	Confident	58 Å²	58	70.6 Å²	70.6	38%	0.377	34%	0.341	S	S	.	.			trans	-54.1	137.1	174.7	-25.3	33.3	0	0	0	111.7	Y557 L558 Q559	P555-Y557 HydrophobicContact CB-CD1 3.69Å; P555-Y557 HydrophobicContact CB-CE1 3.18Å; P555-Y557 HydrophobicContact CB-CE2 4.39Å; P555-Y557 HydrophobicContact CB-CG 4.46Å; P555-Y557 HydrophobicContact CG-CE1 4.08Å; P555-Y557 PolarHBondContact O-N 3.49Å; P555-L558 PolarHBondContact O-N 3.47Å; P555-Q559 PolarHBondContact O-N 3.18Å
556	K	89.1	Confident	87.6	Confident	184 Å²	184	70.9 Å²	70.9	80%	0.8	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-31.6	-174.2	-67.5	-177.4	178.4	179.6	0	114.6	I554 L558	I554-K556 PolarHBondContact O-N 3.1Å; K556-L558 VanDerWaalsContact C-N 3.34Å; K556-L558 PolarHBondContact O-N 2.83Å
557	Y	90.5	Very high	88	Confident	170 Å²	170	70.1 Å²	70.1	67%	0.667	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-17.9	178.6	63.7	-94.3	0	0	0	114.5	P555 W560	P555-Y557 HydrophobicContact CB-CD1 3.69Å; P555-Y557 HydrophobicContact CB-CE1 3.18Å; P555-Y557 HydrophobicContact CB-CE2 4.39Å; P555-Y557 HydrophobicContact CB-CG 4.46Å; P555-Y557 HydrophobicContact CG-CE1 4.08Å; P555-Y557 PolarHBondContact O-N 3.49Å; Y557-W560 PolarHBondContact O-NE1 2.91Å; Y557-W560 VanDerWaalsContact O-NE1 3.11Å
558	L	88.6	Confident	88.3	Confident	61 Å²	61	69 Å²	69	32%	0.319	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-11	176.5	-77.6	169.5	0	0	0	113.6	I554 P555 K556 W560 S561	I554-L558 HydrophobicContact CG2-CB 3.76Å; P555-L558 PolarHBondContact O-N 3.47Å; K556-L558 VanDerWaalsContact C-N 3.34Å; K556-L558 PolarHBondContact O-N 2.83Å; L558-W560 PolarHBondContact O-N 3.28Å; L558-S561 PolarHBondContact O-N 3.48Å; L558-S561 PolarHBondContact O-OG 2.88Å
559	Q	86.8	Confident	88.6	Confident	47 Å²	47	63.9 Å²	63.9	22%	0.22	31%	0.305	C	S	.	.	H	α-helix	trans	-55.2	-31	-177.2	-75.1	178.6	-17.6	0	0	113.7	F551 I554 P555 S561 S562 Y563	F551-Q559 HydrophobicContact CE2-CB 4.17Å; F551-Q559 HydrophobicContact CE2-CG 4.41Å; F551-Q559 HydrophobicContact CZ-CB 4.15Å; F551-Q559 HydrophobicContact CZ-CG 4.28Å; I554-Q559 HydrophobicContact CB-CG 4.04Å; I554-Q559 HydrophobicContact CG2-CG 3.99Å; I554-Q559 WeakPolarHBondContact O-CG 3.08Å; I554-Q559 PolarHBondContact O-NE2 2.74Å; I554-Q559 VanDerWaalsContact O-NE2 3.15Å; P555-Q559 PolarHBondContact O-N 3.18Å; Q559-S561 PolarHBondContact O-N 3.37Å; Q559-S562 WeakPolarHBondContact O-CB 3.43Å; Q559-S562 PolarHBondContact O-N 3.31Å; Q559-Y563 WeakPolarHBondContact O-CD2 3.38Å
560	W	88.6	Confident	89	Confident	168 Å²	168	61.7 Å²	61.7	64%	0.636	29%	0.292	S	S	*	.	H	α-helix	trans	-60.1	-30.3	177.1	71	-90.8	0	0	0	113.5	Y557 L558 S562 Y563 V564	Y557-W560 PolarHBondContact O-NE1 2.91Å; Y557-W560 VanDerWaalsContact O-NE1 3.11Å; L558-W560 PolarHBondContact O-N 3.28Å; W560-S562 VanDerWaalsContact C-N 3.26Å; W560-S562 PolarHBondContact O-N 3.16Å; W560-Y563 PolarHBondContact O-N 2.69Å; W560-V564 HydrophobicContact CE3-CG2 4.08Å; W560-V564 HydrophobicContact CZ3-CG2 4.13Å
561	S	87.1	Confident	89.5	Confident	18 Å²	18	59.3 Å²	59.3	13%	0.126	28%	0.279	C	S	.	.	H	α-helix	trans	-68.7	-27.9	-179.2	68.5	0	0	0	0	112.1	F544 L558 Q559 Y563 V564 S565	F544-S561 WeakPolarHBondContact CD1-OG 3.23Å; F544-S561 VanDerWaalsContact CD2-OG 3.31Å; F544-S561 WeakPolarHBondContact CD2-OG 3.34Å; F544-S561 WeakPolarHBondContact CE1-OG 3.03Å; F544-S561 VanDerWaalsContact CE2-OG 3.3Å; F544-S561 WeakPolarHBondContact CE2-OG 3.47Å; F544-S561 WeakPolarHBondContact CG-OG 3.37Å; F544-S561 WeakPolarHBondContact CZ-OG 3.23Å; L558-S561 PolarHBondContact O-N 3.48Å; L558-S561 PolarHBondContact O-OG 2.88Å; Q559-S561 PolarHBondContact O-N 3.37Å; S561-Y563 VanDerWaalsContact C-N 3.34Å; S561-V564 WeakPolarHBondContact O-CB 3.49Å; S561-V564 PolarHBondContact O-N 3.17Å; S561-S565 PolarHBondContact O-N 2.77Å
562	S	87.5	Confident	90	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.014	28%	0.275	C	S	.	.	H	α-helix	trans	-66.3	-36.6	175.7	-168.3	0	0	0	0	111.8	F544 Q559 W560 V564 S565 R568	F544-S562 PolarHBondContact O-OG 3.4Å; F544-S562 VanDerWaalsContact O-OG 3.12Å; Q559-S562 WeakPolarHBondContact O-CB 3.43Å; Q559-S562 PolarHBondContact O-N 3.31Å; W560-S562 VanDerWaalsContact C-N 3.26Å; W560-S562 PolarHBondContact O-N 3.16Å; S562-V564 PolarHBondContact O-N 3.16Å; S562-S565 PolarHBondContact O-N 3.18Å; S562-S565 VanDerWaalsContact O-N 3.16Å; S562-R568 WeakPolarHBondContact O-CD 3.31Å; S562-R568 PolarHBondContact O-NE 3.48Å; S562-R568 WeakPolarHBondContact OG-CD 3.34Å
563	Y	88.9	Confident	90.5	Very high	118 Å²	118	52.6 Å²	52.6	46%	0.463	25%	0.245	S	C	.	.	H	α-helix	trans	-67.5	-22.5	174.1	-64.9	-78.3	0	0	0	113.8	F551 Q559 W560 S561 Y569	F551-Y563 HydrophobicContact CE2-CD2 4.4Å; F551-Y563 AromaticContact CE2-CE2 3.63Å; F551-Y563 HydrophobicContact CE2-CE2 3.63Å; F551-Y563 AromaticContact CE2-CZ 3.79Å; F551-Y563 AromaticContact CZ-CE2 3.7Å; F551-Y563 HydrophobicContact CZ-CE2 3.7Å; F551-Y563 AromaticContact CZ-CZ 3.68Å; F551-Y563 VanDerWaalsContact CZ-OH 3.22Å; F551-Y563 WeakPolarHBondContact CZ-OH 3.45Å; Q559-Y563 WeakPolarHBondContact O-CD2 3.38Å; W560-Y563 PolarHBondContact O-N 2.69Å; S561-Y563 VanDerWaalsContact C-N 3.34Å; Y563-Y569 WeakPolarHBondContact O-CE2 3.23Å; Y563-Y569 PolarHBondContact O-OH 2.94Å; Y563-Y569 VanDerWaalsContact O-OH 3.07Å
564	V	90	Very high	90.8	Very high	81 Å²	81	48 Å²	48	49%	0.491	22%	0.216	S	C	.	.	H	α-helix	trans	-79.9	-21.7	176.3	179	0	0	0	0	111.7	W560 S561 S562 Y566 F622	W560-V564 HydrophobicContact CE3-CG2 4.08Å; W560-V564 HydrophobicContact CZ3-CG2 4.13Å; S561-V564 WeakPolarHBondContact O-CB 3.49Å; S561-V564 PolarHBondContact O-N 3.17Å; S562-V564 PolarHBondContact O-N 3.16Å; V564-Y566 PolarHBondContact O-N 2.77Å; V564-F622 WeakPolarHBondContact O-CZ 3.34Å
565	S	93.2	Very high	91	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.007	21%	0.214	C	C	.	.			trans	-73.9	108.5	177.9	179.6	0	0	0	0	111.1	V541 S561 S562 V567 R568 Y569	V541-S565 WeakPolarHBondContact CG1-OG 3.38Å; V541-S565 WeakPolarHBondContact O-CB 3.41Å; V541-S565 PolarHBondContact O-OG 3.5Å; S561-S565 PolarHBondContact O-N 2.77Å; S562-S565 PolarHBondContact O-N 3.18Å; S562-S565 VanDerWaalsContact O-N 3.16Å; S565-V567 PolarHBondContact O-N 3.45Å; S565-V567 PolarHBondContact OG-N 3.12Å; S565-R568 VanDerWaalsContact O-CB 3.3Å; S565-R568 WeakPolarHBondContact O-CB 3.03Å; S565-R568 PolarHBondContact O-N 3.15Å; S565-R568 PolarHBondContact OG-N 3.13Å; S565-Y569 VanDerWaalsContact O-CD2 3.24Å; S565-Y569 WeakPolarHBondContact O-CD2 3.34Å; S565-Y569 WeakPolarHBondContact O-CE2 3.43Å
566	Y	94.1	Very high	91.1	Very high	7 Å²	7	45.6 Å²	45.6	3%	0.027	20%	0.2	C	C	.	.	H	α-helix	trans	-67.1	-24.3	171.8	67.1	-92.5	0	0	0	112.5	M431 T509 V512 A513 L516 V541 V564 R568 G570 L619	M431-Y566 HydrophobicContact CG-CE2 4.37Å; M431-Y566 VanDerWaalsContact CG-OH 3.3Å; M431-Y566 WeakPolarHBondContact CG-OH 3.35Å; T509-Y566 HydrophobicContact CG2-CD2 4.07Å; T509-Y566 HydrophobicContact CG2-CE2 3.98Å; V512-Y566 HydrophobicContact CB-CD2 3.96Å; V512-Y566 HydrophobicContact CB-CE2 4.32Å; V512-Y566 HydrophobicContact CB-CG 4.32Å; V512-Y566 HydrophobicContact CG1-CD1 3.82Å; V512-Y566 HydrophobicContact CG1-CD2 3.53Å; V512-Y566 HydrophobicContact CG1-CE1 4.3Å; V512-Y566 HydrophobicContact CG1-CE2 4.03Å; V512-Y566 HydrophobicContact CG1-CG 3.41Å; V512-Y566 VanDerWaalsContact CG1-CG 3.41Å; A513-Y566 WeakPolarHBondContact CA-OH 3.24Å; A513-Y566 HydrophobicContact CB-CE2 4.08Å; A513-Y566 WeakPolarHBondContact CB-OH 3.14Å; L516-Y566 HydrophobicContact CD2-CE1 4.09Å; V541-Y566 HydrophobicContact CG1-CD1 4.03Å; V541-Y566 HydrophobicContact CG1-CE1 3.77Å; V564-Y566 PolarHBondContact O-N 2.77Å; Y566-R568 VanDerWaalsContact C-N 3.26Å; Y566-R568 PolarHBondContact O-N 2.97Å; Y566-G570 PolarHBondContact O-N 3.48Å; Y566-L619 WeakPolarHBondContact O-CD2 3.26Å
567	V	93.4	Very high	91.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-68.1	-29.4	176.8	178.2	0	0	0	0	110.9	M431 V541 L542 S565 G570 F571	M431-V567 HydrophobicContact CG-CG2 4.42Å; M431-V567 HydrophobicContact SD-CG2 3.63Å; V541-V567 HydrophobicContact CG1-CB 4.12Å; V541-V567 HydrophobicContact CG1-CG2 3.63Å; L542-V567 HydrophobicContact CD2-CG1 4.3Å; S565-V567 PolarHBondContact O-N 3.45Å; S565-V567 PolarHBondContact OG-N 3.12Å; V567-G570 PolarHBondContact O-N 3.29Å; V567-F571 WeakPolarHBondContact O-CB 3.48Å; V567-F571 PolarHBondContact O-N 3.28Å
568	R	92.6	Very high	91.2	Very high	33 Å²	33	28.7 Å²	28.7	13%	0.125	13%	0.13	C	C	.	.	H	α-helix	trans	-55.6	-56.7	173.9	-171.4	-175.1	79.3	78.2	1.6	111.7	S545 S562 S565 Y566 G570 F571 E572	S545-R568 WeakPolarHBondContact O-CA 3.49Å; S562-R568 WeakPolarHBondContact O-CD 3.31Å; S562-R568 PolarHBondContact O-NE 3.48Å; S562-R568 WeakPolarHBondContact OG-CD 3.34Å; S565-R568 VanDerWaalsContact O-CB 3.3Å; S565-R568 WeakPolarHBondContact O-CB 3.03Å; S565-R568 PolarHBondContact O-N 3.15Å; S565-R568 PolarHBondContact OG-N 3.13Å; Y566-R568 VanDerWaalsContact C-N 3.26Å; Y566-R568 PolarHBondContact O-N 2.97Å; R568-G570 VanDerWaalsContact C-N 3.27Å; R568-G570 PolarHBondContact O-N 2.94Å; R568-F571 PolarHBondContact O-N 3.34Å; R568-F571 VanDerWaalsContact O-N 3.14Å; R568-E572 IonicContact CZ-OE2 3.5Å; R568-E572 IonicContact NH1-OE2 3.97Å; R568-E572 PolarHBondContact NH1-OE2 3.5Å; R568-E572 VanDerWaalsContact O-CB 3.23Å; R568-E572 WeakPolarHBondContact O-CB 3.36Å; R568-E572 PolarHBondContact O-N 2.95Å
569	Y	93.1	Very high	91.3	Very high	18 Å²	18	26 Å²	26	7%	0.071	12%	0.116	C	C	.	.	H	α-helix	trans	-62.6	-34.5	178.6	-54.9	-87.5	0	0	0	112.4	Y563 S565 G573 V618 F622	Y563-Y569 WeakPolarHBondContact O-CE2 3.23Å; Y563-Y569 PolarHBondContact O-OH 2.94Å; Y563-Y569 VanDerWaalsContact O-OH 3.07Å; S565-Y569 VanDerWaalsContact O-CD2 3.24Å; S565-Y569 WeakPolarHBondContact O-CD2 3.34Å; S565-Y569 WeakPolarHBondContact O-CE2 3.43Å; Y569-G573 PolarHBondContact O-N 3.18Å; Y569-V618 HydrophobicContact CD1-CB 3.96Å; Y569-V618 HydrophobicContact CD1-CG1 3.83Å; Y569-V618 HydrophobicContact CD1-CG2 4.26Å; Y569-V618 HydrophobicContact CD2-CG1 3.75Å; Y569-V618 HydrophobicContact CE1-CB 4.02Å; Y569-V618 HydrophobicContact CE1-CG1 3.64Å; Y569-V618 HydrophobicContact CE1-CG2 3.96Å; Y569-V618 HydrophobicContact CE2-CG1 3.62Å; Y569-V618 HydrophobicContact CG-CB 4.26Å; Y569-V618 HydrophobicContact CG-CG1 3.86Å; Y569-F622 HydrophobicContact CD2-CE2 4.2Å; Y569-F622 AromaticContact CE2-CE2 3.86Å; Y569-F622 HydrophobicContact CE2-CE2 3.86Å
570	G	93.6	Very high	91.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64	-45.4	173.1	0	0	0	0	0	112.6	Y566 V567 R568 V574	Y566-G570 PolarHBondContact O-N 3.48Å; V567-G570 PolarHBondContact O-N 3.29Å; R568-G570 VanDerWaalsContact C-N 3.27Å; R568-G570 PolarHBondContact O-N 2.94Å; G570-V574 WeakPolarHBondContact O-CB 3.35Å; G570-V574 VanDerWaalsContact O-CG2 3.23Å; G570-V574 WeakPolarHBondContact O-CG2 3.2Å; G570-V574 PolarHBondContact O-N 3.48Å; G570-V574 VanDerWaalsContact O-N 3.1Å
571	F	93.2	Very high	91	Very high	5 Å²	5	20.7 Å²	20.7	2%	0.022	10%	0.102	C	C	.	.	H	α-helix	trans	-71.9	-46.1	-179.6	179.8	-112.5	0	0	0	112.1	T420 L423 F424 F547 V567 R568 G573 V574 I575	T420-F571 HydrophobicContact CG2-CE2 4.39Å; T420-F571 HydrophobicContact CG2-CZ 3.71Å; L423-F571 HydrophobicContact CB-CE2 4.4Å; F424-F571 HydrophobicContact CB-CD2 4.09Å; F424-F571 HydrophobicContact CB-CE2 3.68Å; F424-F571 HydrophobicContact CB-CZ 4.37Å; F424-F571 HydrophobicContact CD2-CD2 4.13Å; F424-F571 HydrophobicContact CD2-CE2 4.35Å; F424-F571 HydrophobicContact CD2-CG 4.44Å; F547-F571 HydrophobicContact CB-CD1 4.43Å; F547-F571 HydrophobicContact CB-CE1 3.94Å; F547-F571 HydrophobicContact CB-CZ 4.1Å; F547-F571 HydrophobicContact CD2-CE1 4.38Å; F547-F571 HydrophobicContact CD2-CE2 4.41Å; F547-F571 AromaticContact CD2-CZ 3.8Å; F547-F571 HydrophobicContact CD2-CZ 3.8Å; F547-F571 HydrophobicContact CG-CZ 4.4Å; V567-F571 WeakPolarHBondContact O-CB 3.48Å; V567-F571 PolarHBondContact O-N 3.28Å; R568-F571 PolarHBondContact O-N 3.34Å; R568-F571 VanDerWaalsContact O-N 3.14Å; F571-G573 PolarHBondContact O-N 2.84Å; F571-V574 PolarHBondContact O-N 2.81Å; F571-I575 HydrophobicContact CD1-CG1 4.48Å; F571-I575 HydrophobicContact CD2-CG1 4.24Å; F571-I575 HydrophobicContact CE1-CG1 4.1Å; F571-I575 HydrophobicContact CE2-CD1 3.99Å; F571-I575 HydrophobicContact CE2-CG1 3.82Å; F571-I575 HydrophobicContact CZ-CD1 3.95Å; F571-I575 HydrophobicContact CZ-CG1 3.75Å; F571-I575 WeakPolarHBondContact O-CG1 3.36Å; F571-I575 PolarHBondContact O-N 3.39Å
572	E	92.4	Very high	90.8	Very high	28 Å²	28	27.5 Å²	27.5	13%	0.131	14%	0.137	C	C	.	.	H	α-helix	trans	-52.2	-53.2	172.9	-172.4	177.4	134.5	0	0	110.8	R568 V574 I575 L576 V607 A610	R568-E572 IonicContact CZ-OE2 3.5Å; R568-E572 IonicContact NH1-OE2 3.97Å; R568-E572 PolarHBondContact NH1-OE2 3.5Å; R568-E572 VanDerWaalsContact O-CB 3.23Å; R568-E572 WeakPolarHBondContact O-CB 3.36Å; R568-E572 PolarHBondContact O-N 2.95Å; E572-V574 VanDerWaalsContact C-N 3.34Å; E572-V574 PolarHBondContact O-N 2.92Å; E572-I575 PolarHBondContact O-N 3.29Å; E572-L576 HydrophobicContact CG-CD1 4.36Å; E572-L576 WeakPolarHBondContact O-CB 3.48Å; E572-L576 WeakPolarHBondContact O-CG 3.44Å; E572-L576 PolarHBondContact O-N 3.4Å; E572-V607 HydrophobicContact CG-CG1 3.61Å; E572-V607 HydrophobicContact CG-CG2 4.35Å; E572-A610 HydrophobicContact CG-CB 3.82Å; E572-A610 WeakPolarHBondContact OE1-CB 3.33Å
573	G	92.9	Very high	90.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.4	-39.2	177.7	0	0	0	0	0	113.3	L505 Y569 F571 S577 D615	L505-G573 VanDerWaalsContact CD1-O 3.28Å; L505-G573 WeakPolarHBondContact CD1-O 3.48Å; Y569-G573 PolarHBondContact O-N 3.18Å; F571-G573 PolarHBondContact O-N 2.84Å; G573-S577 VanDerWaalsContact O-CB 3.31Å; G573-S577 WeakPolarHBondContact O-CB 3.43Å; G573-S577 PolarHBondContact O-N 3.47Å; G573-S577 PolarHBondContact O-OG 3.15Å; G573-D615 WeakPolarHBondContact CA-OD2 3.42Å
574	V	93.1	Very high	90.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.7	-43.6	178.9	161.5	0	0	0	0	110.6	L423 M427 F502 L505 G570 F571 E572 S577 I578	L423-V574 HydrophobicContact CB-CG1 3.95Å; L423-V574 HydrophobicContact CD1-CG1 4.12Å; L423-V574 HydrophobicContact CD2-CG1 3.8Å; L423-V574 HydrophobicContact CG-CG1 4.15Å; M427-V574 HydrophobicContact CE-CG2 4.18Å; M427-V574 HydrophobicContact CG-CG2 4.5Å; M427-V574 HydrophobicContact SD-CG2 4.09Å; F502-V574 HydrophobicContact CD2-CB 4.5Å; F502-V574 HydrophobicContact CD2-CG1 3.75Å; F502-V574 HydrophobicContact CD2-CG2 4.02Å; F502-V574 HydrophobicContact CE2-CG1 3.85Å; F502-V574 HydrophobicContact CE2-CG2 4.38Å; L505-V574 HydrophobicContact CB-CG2 3.96Å; L505-V574 HydrophobicContact CD1-CG2 4.31Å; G570-V574 WeakPolarHBondContact O-CB 3.35Å; G570-V574 VanDerWaalsContact O-CG2 3.23Å; G570-V574 WeakPolarHBondContact O-CG2 3.2Å; G570-V574 PolarHBondContact O-N 3.48Å; G570-V574 VanDerWaalsContact O-N 3.1Å; F571-V574 PolarHBondContact O-N 2.81Å; E572-V574 VanDerWaalsContact C-N 3.34Å; E572-V574 PolarHBondContact O-N 2.92Å; V574-S577 PolarHBondContact O-N 3.24Å; V574-S577 PolarHBondContact O-OG 2.93Å; V574-I578 HydrophobicContact CG1-CD1 4.13Å; V574-I578 PolarHBondContact O-N 3.45Å; V574-I578 VanDerWaalsContact O-N 3.16Å
575	I	92.5	Very high	90.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.4	-46.6	176.3	-70.1	-69.8	0	0	0	110.8	T420 L423 F571 E572 S577 I578 Y579 L602 L605 V607	T420-I575 HydrophobicContact CG2-CD1 3.95Å; L423-I575 HydrophobicContact CD1-CD1 3.63Å; F571-I575 HydrophobicContact CD1-CG1 4.48Å; F571-I575 HydrophobicContact CD2-CG1 4.24Å; F571-I575 HydrophobicContact CE1-CG1 4.1Å; F571-I575 HydrophobicContact CE2-CD1 3.99Å; F571-I575 HydrophobicContact CE2-CG1 3.82Å; F571-I575 HydrophobicContact CZ-CD1 3.95Å; F571-I575 HydrophobicContact CZ-CG1 3.75Å; F571-I575 WeakPolarHBondContact O-CG1 3.36Å; F571-I575 PolarHBondContact O-N 3.39Å; E572-I575 PolarHBondContact O-N 3.29Å; I575-S577 VanDerWaalsContact C-N 3.3Å; I575-S577 PolarHBondContact O-N 3.4Å; I575-I578 PolarHBondContact O-N 3.14Å; I575-Y579 HydrophobicContact CD1-CD2 4.37Å; I575-Y579 HydrophobicContact CD1-CE2 4.27Å; I575-Y579 HydrophobicContact CG2-CD2 4.26Å; I575-Y579 PolarHBondContact O-N 3.28Å; I575-L602 HydrophobicContact CG2-CD2 3.78Å; I575-L605 HydrophobicContact CD1-CD1 4.05Å; I575-L605 HydrophobicContact CG1-CD1 4.35Å; I575-L605 HydrophobicContact CG2-CD1 3.92Å; I575-V607 HydrophobicContact CG2-CG1 4.48Å
576	L	91.6	Very high	89.9	Confident	15 Å²	15	28.7 Å²	28.7	8%	0.079	15%	0.15	C	C	.	.	H	α-helix	trans	-59.4	-39.2	173.9	-73.8	171.7	0	0	0	112.6	E572 I578 G580 L602 V607 A610 L612	E572-L576 HydrophobicContact CG-CD1 4.36Å; E572-L576 WeakPolarHBondContact O-CB 3.48Å; E572-L576 WeakPolarHBondContact O-CG 3.44Å; E572-L576 PolarHBondContact O-N 3.4Å; L576-I578 VanDerWaalsContact C-N 3.25Å; L576-I578 PolarHBondContact O-N 2.95Å; L576-G580 WeakPolarHBondContact O-CA 3.33Å; L576-G580 PolarHBondContact O-N 2.62Å; L576-L602 HydrophobicContact CD2-CD2 4.26Å; L576-V607 HydrophobicContact CD1-CG1 4.12Å; L576-V607 HydrophobicContact CD2-CG1 3.69Å; L576-V607 WeakPolarHBondContact CD2-O 3.29Å; L576-V607 HydrophobicContact CG-CG1 3.55Å; L576-A610 HydrophobicContact CD1-CB 3.66Å; L576-A610 HydrophobicContact CD2-CB 4.45Å; L576-A610 HydrophobicContact CG-CB 4.45Å; L576-L612 HydrophobicContact CB-CD1 4.38Å
577	S	91.7	Very high	89.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67.1	-27.9	-179.8	75.7	0	0	0	0	113	R498 G573 V574 I575 M581	R498-S577 WeakPolarHBondContact CD-O 3.15Å; R498-S577 WeakPolarHBondContact CG-O 3.33Å; G573-S577 VanDerWaalsContact O-CB 3.31Å; G573-S577 WeakPolarHBondContact O-CB 3.43Å; G573-S577 PolarHBondContact O-N 3.47Å; G573-S577 PolarHBondContact O-OG 3.15Å; V574-S577 PolarHBondContact O-N 3.24Å; V574-S577 PolarHBondContact O-OG 2.93Å; I575-S577 VanDerWaalsContact C-N 3.3Å; I575-S577 PolarHBondContact O-N 3.4Å; S577-M581 WeakPolarHBondContact O-CE 3.21Å
578	I	91.2	Very high	89	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-96.8	-43.7	-175.4	-71.8	170.7	0	0	0	111.8	L423 R498 F502 V574 I575 L576 R583	L423-I578 HydrophobicContact CD1-CD1 3.52Å; L423-I578 HydrophobicContact CD2-CD1 3.18Å; L423-I578 HydrophobicContact CG-CD1 3.96Å; R498-I578 PolarHBondContact NH1-O 2.89Å; F502-I578 HydrophobicContact CD2-CD1 4.23Å; V574-I578 HydrophobicContact CG1-CD1 4.13Å; V574-I578 PolarHBondContact O-N 3.45Å; V574-I578 VanDerWaalsContact O-N 3.16Å; I575-I578 PolarHBondContact O-N 3.14Å; L576-I578 VanDerWaalsContact C-N 3.25Å; L576-I578 PolarHBondContact O-N 2.95Å; I578-R583 WeakPolarHBondContact O-CD 3.26Å; I578-R583 PolarHBondContact O-NH1 2.97Å
579	Y	90.1	Very high	88.2	Confident	3 Å²	3	40.1 Å²	40.1	1%	0.012	22%	0.217	C	C	.	.	H	α-helix	trans	-101.1	-21.8	-176.7	-67.6	-73.9	0	0	0	113.9	N419 L423 I575 L586 P598 V601	N419-Y579 WeakPolarHBondContact CB-OH 3.31Å; N419-Y579 PolarHBondContact ND2-OH 2.87Å; L423-Y579 HydrophobicContact CD1-CE2 4.43Å; I575-Y579 HydrophobicContact CD1-CD2 4.37Å; I575-Y579 HydrophobicContact CD1-CE2 4.27Å; I575-Y579 HydrophobicContact CG2-CD2 4.26Å; I575-Y579 PolarHBondContact O-N 3.28Å; Y579-L586 HydrophobicContact CE1-CD2 4.13Å; Y579-P598 WeakPolarHBondContact O-CB 3.44Å; Y579-V601 HydrophobicContact CD1-CB 4.47Å; Y579-V601 HydrophobicContact CD1-CG1 4.37Å; Y579-V601 HydrophobicContact CD1-CG2 4.49Å; Y579-V601 HydrophobicContact CD2-CG1 4.22Å; Y579-V601 HydrophobicContact CE1-CG1 4.36Å; Y579-V601 HydrophobicContact CE1-CG2 4.49Å; Y579-V601 HydrophobicContact CE2-CG1 4.18Å; Y579-V601 HydrophobicContact CG-CG1 4.29Å
580	G	86.1	Confident	87.4	Confident	9 Å²	9	45.3 Å²	45.3	9%	0.093	24%	0.242	C	C	.	.			trans	-81.2	-161.5	176.6	0	0	0	0	0	113.8	L576 N582	L576-G580 WeakPolarHBondContact O-CA 3.33Å; L576-G580 PolarHBondContact O-N 2.62Å; G580-N582 PolarHBondContact O-N 3.39Å
581	M	83.2	Confident	86.3	Confident	96 Å²	96	52.6 Å²	52.6	47%	0.473	29%	0.287	S	S	.	.	S	Bend	trans	54.5	49	177	-57.3	179.5	-64.1	0	0	113.9	R498 L501 S577 R583	R498-M581 HydrophobicContact CG-CE 3.75Å; L501-M581 HydrophobicContact CD1-CE 3.78Å; L501-M581 HydrophobicContact CD1-SD 3.74Å; S577-M581 WeakPolarHBondContact O-CE 3.21Å; M581-R583 VanDerWaalsContact C-N 3.35Å; M581-R583 PolarHBondContact O-N 3.2Å
582	N	82.4	Confident	85.5	Confident	161 Å²	161	60.5 Å²	60.5	86%	0.861	33%	0.326	S	S	*	.	S	Bend	trans	49.5	50.2	177.9	-65.4	-9.7	0	0	0	113.3	G580	G580-N582 PolarHBondContact O-N 3.39Å
583	R	83.7	Confident	84.8	Confident	19 Å²	19	60.1 Å²	60.1	7%	0.072	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-61.1	142.9	172.4	-168.6	-175.5	-178.2	164.4	-11.1	111	G410 N411 R498 I578 M581 P598	G410-R583 PolarHBondContact O-NH2 2.94Å; N411-R583 PolarHBondContact OD1-NH2 2.9Å; R498-R583 VanDerWaalsContact NH1-CB 3.26Å; R498-R583 VanDerWaalsContact NH2-CA 3.34Å; I578-R583 WeakPolarHBondContact O-CD 3.26Å; I578-R583 PolarHBondContact O-NH1 2.97Å; M581-R583 VanDerWaalsContact C-N 3.35Å; M581-R583 PolarHBondContact O-N 3.2Å; R583-P598 HydrophobicContact CB-CB 4.37Å; R583-P598 HydrophobicContact CB-CG 3.89Å; R583-P598 HydrophobicContact CG-CG 4.3Å
584	S	83.9	Confident	84	Confident	90 Å²	90	67.5 Å²	67.5	63%	0.629	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-59.1	158.3	166.7	59.1	0	0	0	0	111.6
585	E	85.4	Confident	83.5	Confident	111 Å²	111	68.6 Å²	68.6	52%	0.519	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-57.7	145.6	174.8	-63.7	-173.6	175.2	0	0	111.3	Q596	E585-Q596 HydrophobicContact CB-CG 4.22Å; E585-Q596 PolarHBondContact OE2-NE2 2.89Å
586	L	87.5	Confident	83.1	Confident	6 Å²	6	72.3 Å²	72.3	3%	0.031	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-75.4	149.9	176.6	-71.1	103	0	0	0	110.6	A413 V416 Y579 C588 Q596 P598	A413-L586 HydrophobicContact CB-CB 3.75Å; V416-L586 HydrophobicContact CG2-CD2 4.25Å; Y579-L586 HydrophobicContact CE1-CD2 4.13Å; L586-C588 PolarHBondContact O-N 3.05Å; L586-Q596 PolarHBondContact N-O 3.34Å; L586-P598 HydrophobicContact CD1-CB 4.47Å; L586-P598 HydrophobicContact CD1-CG 3.89Å
587	E	84.9	Confident	82.9	Confident	143 Å²	143	76.4 Å²	76.4	67%	0.668	40%	0.398	S	S	*	.	B	Isolated β-bridge	trans	-70.8	127.6	177	-65.6	-176.6	179.7	0	0	109.5	N411 A413 P589	N411-E587 PolarHBondContact O-N 3.31Å; A413-E587 WeakPolarHBondContact CB-O 3.44Å; A413-E587 PolarHBondContact N-O 3.07Å; E587-P589 WeakPolarHBondContact O-CD 3.47Å
588	C	82.9	Confident	82.6	Confident	42 Å²	42	77 Å²	77	28%	0.284	40%	0.401	S	S	.	.			trans	-109.6	103.2	179.3	-179.2	0	0	0	0	110	A413 L586 E590 C593	A413-C588 HydrophobicContact CB-CB 4.36Å; L586-C588 PolarHBondContact O-N 3.05Å; C588-E590 VanDerWaalsContact C-N 3.3Å; C588-E590 PolarHBondContact SG-O 3.45Å; C588-C593 VanDerWaalsContact CA-SG 3.5Å; C588-C593 HydrophobicContact CB-CB 3.77Å; C588-C593 WeakPolarHBondContact CB-SG 3.45Å; C588-C593 WeakPolarHBondContact SG-CB 3.37Å; C588-C593 PolarHBondContact SG-N 3.46Å; C588-C593 VanDerWaalsContact SG-N 3.36Å; C588-C593 CovalentContact SG-SG 2.02Å; C588-C593 PolarHBondContact SG-SG 3.01Å
589	P	77.1	Confident	82.4	Confident	96 Å²	96	82.6 Å²	82.6	62%	0.623	43%	0.427	S	S	*	.			trans	-77.4	-14.7	176.7	28.1	-32.2	0	0	0	113.5	D412 E587	D412-P589 WeakPolarHBondContact OD1-CD 3.38Å; E587-P589 WeakPolarHBondContact O-CD 3.47Å
590	E	76.2	Confident	82.1	Confident	127 Å²	127	86 Å²	86	59%	0.593	44%	0.443	S	S	*	.	S	Bend	trans	-97.3	166.1	178.8	-63.5	-172.7	172	0	0	112.4	C588 M592	C588-E590 VanDerWaalsContact C-N 3.3Å; C588-E590 PolarHBondContact SG-O 3.45Å; E590-M592 VanDerWaalsContact C-N 3.28Å; E590-M592 PolarHBondContact O-N 3.49Å
591	V	70.4	Confident	82.1	Confident	154 Å²	154	85.6 Å²	85.6	93%	0.933	44%	0.439	S	S	*	.	S	Bend	trans	-67.8	-26.2	-175.3	-174	0	0	0	0	112.6
592	M	75.3	Confident	82.3	Confident	171 Å²	171	81.7 Å²	81.7	84%	0.842	42%	0.42	S	S	*	.			trans	-145.9	117	172.5	-74.9	-122.8	-66.5	0	0	110.7	E590	E590-M592 VanDerWaalsContact C-N 3.28Å; E590-M592 PolarHBondContact O-N 3.49Å
593	C	77.8	Confident	82.4	Confident	20 Å²	20	79.1 Å²	79.1	14%	0.135	40%	0.403	C	S	.	.			trans	-106.3	125	171.4	-61.3	0	0	0	0	110.7	A413 C588 F595	A413-C593 HydrophobicContact CB-CB 3.78Å; C588-C593 VanDerWaalsContact CA-SG 3.5Å; C588-C593 HydrophobicContact CB-CB 3.77Å; C588-C593 WeakPolarHBondContact CB-SG 3.45Å; C588-C593 WeakPolarHBondContact SG-CB 3.37Å; C588-C593 PolarHBondContact SG-N 3.46Å; C588-C593 VanDerWaalsContact SG-N 3.36Å; C588-C593 CovalentContact SG-SG 2.02Å; C588-C593 PolarHBondContact SG-SG 3.01Å; C593-F595 VanDerWaalsContact C-N 3.31Å; C593-F595 PolarHBondContact O-N 3.35Å
594	K	77.9	Confident	82.4	Confident	154 Å²	154	81.4 Å²	81.4	67%	0.67	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-36.8	175.9	-171.6	176.9	178.7	-177.6	0	111.9
595	F	82.6	Confident	82.3	Confident	24 Å²	24	78.3 Å²	78.3	11%	0.105	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	35.2	-172	-57.8	-70.2	0	0	0	113.7	V416 F417 C593 K597 E600 V601 L604	V416-F595 HydrophobicContact CB-CB 4.24Å; V416-F595 HydrophobicContact CB-CD2 4.49Å; V416-F595 HydrophobicContact CB-CG 4.48Å; V416-F595 HydrophobicContact CG1-CB 4.46Å; V416-F595 HydrophobicContact CG2-CB 3.81Å; F417-F595 HydrophobicContact CD2-CE2 4.33Å; F417-F595 AromaticContact CE2-CE2 3.57Å; F417-F595 HydrophobicContact CE2-CE2 3.57Å; F417-F595 AromaticContact CE2-CZ 3.94Å; F417-F595 HydrophobicContact CE2-CZ 3.94Å; F417-F595 HydrophobicContact CZ-CE2 4.1Å; F417-F595 AromaticContact CZ-CZ 3.97Å; F417-F595 HydrophobicContact CZ-CZ 3.97Å; C593-F595 VanDerWaalsContact C-N 3.31Å; C593-F595 PolarHBondContact O-N 3.35Å; F595-K597 VanDerWaalsContact C-N 3.28Å; F595-K597 PolarHBondContact O-N 2.88Å; F595-E600 HydrophobicContact CD1-CB 4.47Å; F595-V601 HydrophobicContact CB-CG2 3.95Å; F595-V601 HydrophobicContact CD1-CG2 4.06Å; F595-V601 HydrophobicContact CG-CG2 4.34Å; F595-L604 HydrophobicContact CE1-CD2 3.74Å; F595-L604 HydrophobicContact CZ-CD2 3.74Å
596	Q	84.1	Confident	82.1	Confident	78 Å²	78	76.4 Å²	76.4	36%	0.364	39%	0.386	S	S	.	.	S	Bend	trans	-65	-35.5	177.3	-176.1	174	-8.6	0	0	111.6	E585 L586	E585-Q596 HydrophobicContact CB-CG 4.22Å; E585-Q596 PolarHBondContact OE2-NE2 2.89Å; L586-Q596 PolarHBondContact N-O 3.34Å
597	K	86	Confident	81.9	Confident	101 Å²	101	76.6 Å²	76.6	44%	0.439	39%	0.387	S	S	.	.	S	Bend	trans	-89.2	125.6	174.8	-69.3	-177.2	-179.7	-179.6	0	110.9	F595 E599 E600	F595-K597 VanDerWaalsContact C-N 3.28Å; F595-K597 PolarHBondContact O-N 2.88Å; K597-E599 PolarHBondContact O-N 2.83Å; K597-E600 HydrophobicContact CB-CG 4.17Å; K597-E600 PolarHBondContact O-N 3.4Å
598	P	86.6	Confident	81.5	Confident	12 Å²	12	74.3 Å²	74.3	8%	0.078	38%	0.376	C	S	.	.	H	α-helix	trans	-59.2	-30.4	177.7	-22.5	30.8	0	0	0	114.2	Y579 R583 L586 E600 V601 L602	Y579-P598 WeakPolarHBondContact O-CB 3.44Å; R583-P598 HydrophobicContact CB-CB 4.37Å; R583-P598 HydrophobicContact CB-CG 3.89Å; R583-P598 HydrophobicContact CG-CG 4.3Å; L586-P598 HydrophobicContact CD1-CB 4.47Å; L586-P598 HydrophobicContact CD1-CG 3.89Å; P598-E600 VanDerWaalsContact C-N 3.28Å; P598-E600 PolarHBondContact O-N 3.33Å; P598-V601 WeakPolarHBondContact O-CB 3.43Å; P598-V601 PolarHBondContact O-N 3.36Å; P598-V601 VanDerWaalsContact O-N 3.1Å; P598-L602 PolarHBondContact O-N 2.72Å
599	E	85.9	Confident	81.2	Confident	118 Å²	118	79.6 Å²	79.6	55%	0.551	40%	0.402	S	S	*	.	H	α-helix	trans	-58.7	-38.4	177.7	-65.7	170	179.7	0	0	112	K597 V601 L602 Q603	K597-E599 PolarHBondContact O-N 2.83Å; E599-V601 PolarHBondContact O-N 3.14Å; E599-L602 PolarHBondContact O-N 2.78Å; E599-Q603 WeakPolarHBondContact O-CG 3.22Å; E599-Q603 PolarHBondContact O-N 3.18Å
600	E	85	Confident	81.4	Confident	74 Å²	74	76.2 Å²	76.2	35%	0.346	38%	0.382	S	S	.	.	H	α-helix	trans	-67.9	-27.5	178.8	-61.7	-174.5	-151.9	0	0	112.2	F595 K597 P598 L604	F595-E600 HydrophobicContact CD1-CB 4.47Å; K597-E600 HydrophobicContact CB-CG 4.17Å; K597-E600 PolarHBondContact O-N 3.4Å; P598-E600 VanDerWaalsContact C-N 3.28Å; P598-E600 PolarHBondContact O-N 3.33Å; E600-L604 WeakPolarHBondContact O-CB 3.39Å; E600-L604 PolarHBondContact O-N 2.91Å; E600-L604 VanDerWaalsContact O-N 3.12Å
601	V	85.8	Confident	82	Confident	1 Å²	1	75.8 Å²	75.8	1%	0.006	38%	0.378	C	S	.	.	H	α-helix	trans	-72	-41.3	173.8	-174.1	0	0	0	0	110.6	V416 Y579 F595 P598 E599 L604 L605	V416-V601 HydrophobicContact CG1-CB 4.28Å; V416-V601 HydrophobicContact CG1-CG1 3.56Å; V416-V601 HydrophobicContact CG1-CG2 3.67Å; V416-V601 HydrophobicContact CG2-CG2 4.43Å; Y579-V601 HydrophobicContact CD1-CB 4.47Å; Y579-V601 HydrophobicContact CD1-CG1 4.37Å; Y579-V601 HydrophobicContact CD1-CG2 4.49Å; Y579-V601 HydrophobicContact CD2-CG1 4.22Å; Y579-V601 HydrophobicContact CE1-CG1 4.36Å; Y579-V601 HydrophobicContact CE1-CG2 4.49Å; Y579-V601 HydrophobicContact CE2-CG1 4.18Å; Y579-V601 HydrophobicContact CG-CG1 4.29Å; F595-V601 HydrophobicContact CB-CG2 3.95Å; F595-V601 HydrophobicContact CD1-CG2 4.06Å; F595-V601 HydrophobicContact CG-CG2 4.34Å; P598-V601 WeakPolarHBondContact O-CB 3.43Å; P598-V601 PolarHBondContact O-N 3.36Å; P598-V601 VanDerWaalsContact O-N 3.1Å; E599-V601 PolarHBondContact O-N 3.14Å; V601-L604 PolarHBondContact O-N 3.42Å; V601-L605 HydrophobicContact CG1-CD1 4.34Å; V601-L605 PolarHBondContact O-N 3.27Å
602	L	86.3	Confident	82.8	Confident	14 Å²	14	70.2 Å²	70.2	7%	0.073	34%	0.343	C	S	.	.	H	α-helix	trans	-67.1	-38.6	177.7	-63.5	176.7	0	0	0	111.7	I575 L576 P598 E599 L605 D606 V607 E608	I575-L602 HydrophobicContact CG2-CD2 3.78Å; L576-L602 HydrophobicContact CD2-CD2 4.26Å; P598-L602 PolarHBondContact O-N 2.72Å; E599-L602 PolarHBondContact O-N 2.78Å; L602-L605 PolarHBondContact O-N 3.09Å; L602-D606 PolarHBondContact O-N 3.4Å; L602-D606 VanDerWaalsContact O-N 3.14Å; L602-V607 PolarHBondContact O-N 2.95Å; L602-E608 HydrophobicContact CB-CB 4.39Å
603	Q	85.4	Confident	83.6	Confident	106 Å²	106	69 Å²	69	50%	0.495	33%	0.331	S	S	.	.	H	α-helix	trans	-64.2	-41.5	173.6	-78.1	174.1	7.2	0	0	112.4	E599 L605 D606 E608	E599-Q603 WeakPolarHBondContact O-CG 3.22Å; E599-Q603 PolarHBondContact O-N 3.18Å; Q603-L605 VanDerWaalsContact C-N 3.28Å; Q603-L605 PolarHBondContact O-N 3.36Å; Q603-D606 PolarHBondContact O-N 2.87Å; Q603-E608 HydrophobicContact CG-CB 4.41Å; Q603-E608 HydrophobicContact CG-CG 4.46Å; Q603-E608 WeakPolarHBondContact CG-OE2 3.16Å; Q603-E608 PolarHBondContact NE2-OE1 2.86Å; Q603-E608 PolarHBondContact NE2-OE2 3.47Å
604	L	83.9	Confident	84.2	Confident	67 Å²	67	70.8 Å²	70.8	35%	0.351	34%	0.341	S	S	.	.	H	α-helix	trans	-62.4	-36.9	178.4	179.5	67.2	0	0	0	112.7	F417 N550 F595 E600 V601	F417-L604 HydrophobicContact CE1-CD2 3.58Å; F417-L604 HydrophobicContact CZ-CD2 3.57Å; N550-L604 PolarHBondContact ND2-O 2.87Å; F595-L604 HydrophobicContact CE1-CD2 3.74Å; F595-L604 HydrophobicContact CZ-CD2 3.74Å; E600-L604 WeakPolarHBondContact O-CB 3.39Å; E600-L604 PolarHBondContact O-N 2.91Å; E600-L604 VanDerWaalsContact O-N 3.12Å; V601-L604 PolarHBondContact O-N 3.42Å
605	L	81.9	Confident	84.9	Confident	25 Å²	25	63.5 Å²	63.5	13%	0.131	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-2.1	-178.1	-65.4	174.6	0	0	0	113.3	T420 I575 V601 L602 Q603 V607	T420-L605 HydrophobicContact CG2-CD1 3.77Å; T420-L605 HydrophobicContact CG2-CD2 4.16Å; I575-L605 HydrophobicContact CD1-CD1 4.05Å; I575-L605 HydrophobicContact CG1-CD1 4.35Å; I575-L605 HydrophobicContact CG2-CD1 3.92Å; V601-L605 HydrophobicContact CG1-CD1 4.34Å; V601-L605 PolarHBondContact O-N 3.27Å; L602-L605 PolarHBondContact O-N 3.09Å; Q603-L605 VanDerWaalsContact C-N 3.28Å; Q603-L605 PolarHBondContact O-N 3.36Å; L605-V607 HydrophobicContact CB-CG2 3.94Å; L605-V607 WeakPolarHBondContact O-CG2 3.18Å
606	D	81.6	Confident	85.5	Confident	72 Å²	72	65.3 Å²	65.3	39%	0.385	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	42.9	-177.8	-165.9	26.3	0	0	0	112.5	L602 Q603	L602-D606 PolarHBondContact O-N 3.4Å; L602-D606 VanDerWaalsContact O-N 3.14Å; Q603-D606 PolarHBondContact O-N 2.87Å
607	V	82.1	Confident	86	Confident	10 Å²	10	68.1 Å²	68.1	6%	0.061	33%	0.332	C	S	.	.			trans	-122	4.1	-175	-176	0	0	0	0	112.3	E572 I575 L576 L602 L605 D609 A610	E572-V607 HydrophobicContact CG-CG1 3.61Å; E572-V607 HydrophobicContact CG-CG2 4.35Å; I575-V607 HydrophobicContact CG2-CG1 4.48Å; L576-V607 HydrophobicContact CD1-CG1 4.12Å; L576-V607 HydrophobicContact CD2-CG1 3.69Å; L576-V607 WeakPolarHBondContact CD2-O 3.29Å; L576-V607 HydrophobicContact CG-CG1 3.55Å; L602-V607 PolarHBondContact O-N 2.95Å; L605-V607 HydrophobicContact CB-CG2 3.94Å; L605-V607 WeakPolarHBondContact O-CG2 3.18Å; V607-D609 PolarHBondContact O-N 3.06Å; V607-A610 HydrophobicContact CG1-CB 3.92Å; V607-A610 WeakPolarHBondContact O-CB 3.36Å; V607-A610 PolarHBondContact O-N 3.3Å
608	E	76.4	Confident	86.4	Confident	94 Å²	94	65 Å²	65	44%	0.439	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-43.2	-173.5	-172.7	175.9	-156.4	0	0	113.8	L602 Q603 A610	L602-E608 HydrophobicContact CB-CB 4.39Å; Q603-E608 HydrophobicContact CG-CB 4.41Å; Q603-E608 HydrophobicContact CG-CG 4.46Å; Q603-E608 WeakPolarHBondContact CG-OE2 3.16Å; Q603-E608 PolarHBondContact NE2-OE1 2.86Å; Q603-E608 PolarHBondContact NE2-OE2 3.47Å; E608-A610 VanDerWaalsContact C-N 3.3Å; E608-A610 PolarHBondContact O-N 3.19Å
609	D	76.6	Confident	86.8	Confident	153 Å²	153	64.5 Å²	64.5	82%	0.818	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-1.3	-177.7	-73.4	-40	0	0	0	114.1	V607	V607-D609 PolarHBondContact O-N 3.06Å
610	A	81.6	Confident	87.3	Confident	26 Å²	26	60.4 Å²	60.4	22%	0.215	31%	0.307	C	S	.	.			trans	-72.6	145.3	-174.7	0	0	0	0	0	112.2	E572 L576 V607 E608	E572-A610 HydrophobicContact CG-CB 3.82Å; E572-A610 WeakPolarHBondContact OE1-CB 3.33Å; L576-A610 HydrophobicContact CD1-CB 3.66Å; L576-A610 HydrophobicContact CD2-CB 4.45Å; L576-A610 HydrophobicContact CG-CB 4.45Å; V607-A610 HydrophobicContact CG1-CB 3.92Å; V607-A610 WeakPolarHBondContact O-CB 3.36Å; V607-A610 PolarHBondContact O-N 3.3Å; E608-A610 VanDerWaalsContact C-N 3.3Å; E608-A610 PolarHBondContact O-N 3.19Å
611	K	88.1	Confident	87.9	Confident	117 Å²	117	59 Å²	59	51%	0.509	31%	0.308	S	S	.	.			trans	-118.2	116.2	-173.9	-66.7	-179.6	-176.1	178.8	0	110.3	Y613 V614 D615	K611-Y613 HydrophobicContact CB-CD1 4Å; K611-Y613 HydrophobicContact CB-CE1 3.64Å; K611-Y613 HydrophobicContact CD-CE1 3.59Å; K611-Y613 WeakPolarHBondContact CD-OH 3.48Å; K611-Y613 HydrophobicContact CG-CE1 4.08Å; K611-Y613 PolarHBondContact O-N 3.27Å; K611-V614 HydrophobicContact CB-CB 4.48Å; K611-V614 HydrophobicContact CB-CG2 3.86Å; K611-V614 WeakPolarHBondContact O-CA 3.39Å; K611-V614 VanDerWaalsContact O-CB 3.27Å; K611-V614 WeakPolarHBondContact O-CB 3.11Å; K611-V614 PolarHBondContact O-N 3.23Å; K611-D615 PolarHBondContact O-N 2.95Å
612	L	88.7	Confident	88.4	Confident	37 Å²	37	60.9 Å²	60.9	19%	0.194	32%	0.316	C	S	.	.	H	α-helix	trans	-56.5	-30.7	-174.9	-166.8	145.4	0	0	0	114.6	L501 L576 V614 D615 F616	L501-L612 HydrophobicContact CD1-CD1 4.18Å; L501-L612 HydrophobicContact CD2-CD2 3.84Å; L576-L612 HydrophobicContact CB-CD1 4.38Å; L612-V614 VanDerWaalsContact C-N 3.33Å; L612-D615 PolarHBondContact O-N 2.75Å; L612-F616 HydrophobicContact CD2-CD2 3.76Å; L612-F616 HydrophobicContact CD2-CE2 3.54Å; L612-F616 PolarHBondContact O-N 3.36Å
613	Y	90.2	Very high	88.8	Confident	147 Å²	147	62.4 Å²	62.4	58%	0.576	32%	0.322	S	S	*	.	H	α-helix	trans	-70.4	-28.6	175.3	70.4	-97.3	0	0	0	113	K611 M617	K611-Y613 HydrophobicContact CB-CD1 4Å; K611-Y613 HydrophobicContact CB-CE1 3.64Å; K611-Y613 HydrophobicContact CD-CE1 3.59Å; K611-Y613 WeakPolarHBondContact CD-OH 3.48Å; K611-Y613 HydrophobicContact CG-CE1 4.08Å; K611-Y613 PolarHBondContact O-N 3.27Å; Y613-M617 WeakPolarHBondContact O-CB 3.45Å; Y613-M617 VanDerWaalsContact O-CG 3.25Å; Y613-M617 WeakPolarHBondContact O-CG 3.37Å; Y613-M617 PolarHBondContact O-N 3.37Å; Y613-M617 VanDerWaalsContact O-N 3.09Å
614	V	92.1	Very high	89.3	Confident	57 Å²	57	62.8 Å²	62.8	35%	0.345	33%	0.327	S	S	.	.	H	α-helix	trans	-67.8	-42.4	176.6	179.5	0	0	0	0	109.1	K611 L612 F616 M617 V618	K611-V614 HydrophobicContact CB-CB 4.48Å; K611-V614 HydrophobicContact CB-CG2 3.86Å; K611-V614 WeakPolarHBondContact O-CA 3.39Å; K611-V614 VanDerWaalsContact O-CB 3.27Å; K611-V614 WeakPolarHBondContact O-CB 3.11Å; K611-V614 PolarHBondContact O-N 3.23Å; L612-V614 VanDerWaalsContact C-N 3.33Å; V614-F616 PolarHBondContact O-N 3.33Å; V614-M617 PolarHBondContact O-N 3.17Å; V614-V618 HydrophobicContact CG1-CG2 4.1Å; V614-V618 WeakPolarHBondContact O-CB 3.46Å; V614-V618 VanDerWaalsContact O-CG2 3.28Å; V614-V618 WeakPolarHBondContact O-CG2 3.36Å; V614-V618 PolarHBondContact O-N 3.43Å
615	D	92.4	Very high	89.9	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-58.9	-47.4	177.5	-63	-40.7	0	0	0	112.1	G573 K611 L612 M617 V618 L619	G573-D615 WeakPolarHBondContact CA-OD2 3.42Å; K611-D615 PolarHBondContact O-N 2.95Å; L612-D615 PolarHBondContact O-N 2.75Å; D615-M617 PolarHBondContact O-N 3.4Å; D615-V618 PolarHBondContact O-N 3.2Å; D615-L619 WeakPolarHBondContact O-CB 3.3Å; D615-L619 VanDerWaalsContact O-CG 3.26Å; D615-L619 WeakPolarHBondContact O-CG 3.41Å; D615-L619 PolarHBondContact O-N 3.2Å
616	F	94.1	Very high	90.6	Very high	62 Å²	62	64.7 Å²	64.7	27%	0.272	34%	0.337	S	S	.	.	H	α-helix	trans	-61.7	-43.1	175.7	-84.4	-60.9	0	0	0	112.9	L501 A504 L505 L612 V614 G620	L501-F616 HydrophobicContact CD2-CE2 3.95Å; L501-F616 HydrophobicContact CD2-CZ 4.34Å; A504-F616 HydrophobicContact CB-CE1 3.96Å; A504-F616 HydrophobicContact CB-CZ 3.78Å; L505-F616 HydrophobicContact CD2-CD1 4.05Å; L505-F616 HydrophobicContact CD2-CD2 4.36Å; L505-F616 HydrophobicContact CD2-CE1 3.71Å; L505-F616 HydrophobicContact CD2-CE2 4.08Å; L505-F616 HydrophobicContact CD2-CG 4.35Å; L505-F616 HydrophobicContact CD2-CZ 3.73Å; L505-F616 HydrophobicContact CG-CE1 3.96Å; L505-F616 HydrophobicContact CG-CE2 4.23Å; L505-F616 HydrophobicContact CG-CZ 3.66Å; L612-F616 HydrophobicContact CD2-CD2 3.76Å; L612-F616 HydrophobicContact CD2-CE2 3.54Å; L612-F616 PolarHBondContact O-N 3.36Å; V614-F616 PolarHBondContact O-N 3.33Å; F616-G620 PolarHBondContact O-N 2.94Å
617	M	95.1	Very high	91.2	Very high	138 Å²	138	61.9 Å²	61.9	68%	0.68	32%	0.321	S	S	*	.	H	α-helix	trans	-63.1	-42.5	178.1	-76.1	-66.8	-65.5	0	0	111.6	Y613 V614 D615 G620 A621	Y613-M617 WeakPolarHBondContact O-CB 3.45Å; Y613-M617 VanDerWaalsContact O-CG 3.25Å; Y613-M617 WeakPolarHBondContact O-CG 3.37Å; Y613-M617 PolarHBondContact O-N 3.37Å; Y613-M617 VanDerWaalsContact O-N 3.09Å; V614-M617 PolarHBondContact O-N 3.17Å; D615-M617 PolarHBondContact O-N 3.4Å; M617-G620 PolarHBondContact O-N 3.12Å; M617-A621 WeakPolarHBondContact O-CB 3.27Å; M617-A621 PolarHBondContact O-N 3.14Å
618	V	95	Very high	91.9	Very high	34 Å²	34	66.4 Å²	66.4	21%	0.206	34%	0.344	C	S	.	.	H	α-helix	trans	-70.1	-44.3	179.5	174.7	0	0	0	0	111.1	Y569 V614 D615 G620 A621 F622	Y569-V618 HydrophobicContact CD1-CB 3.96Å; Y569-V618 HydrophobicContact CD1-CG1 3.83Å; Y569-V618 HydrophobicContact CD1-CG2 4.26Å; Y569-V618 HydrophobicContact CD2-CG1 3.75Å; Y569-V618 HydrophobicContact CE1-CB 4.02Å; Y569-V618 HydrophobicContact CE1-CG1 3.64Å; Y569-V618 HydrophobicContact CE1-CG2 3.96Å; Y569-V618 HydrophobicContact CE2-CG1 3.62Å; Y569-V618 HydrophobicContact CG-CB 4.26Å; Y569-V618 HydrophobicContact CG-CG1 3.86Å; V614-V618 HydrophobicContact CG1-CG2 4.1Å; V614-V618 WeakPolarHBondContact O-CB 3.46Å; V614-V618 VanDerWaalsContact O-CG2 3.28Å; V614-V618 WeakPolarHBondContact O-CG2 3.36Å; V614-V618 PolarHBondContact O-N 3.43Å; D615-V618 PolarHBondContact O-N 3.2Å; V618-G620 VanDerWaalsContact C-N 3.31Å; V618-G620 PolarHBondContact O-N 3.24Å; V618-A621 WeakPolarHBondContact O-CB 3.42Å; V618-A621 PolarHBondContact O-N 3.11Å; V618-A621 VanDerWaalsContact O-N 3.16Å; V618-F622 HydrophobicContact CG1-CD2 3.62Å; V618-F622 HydrophobicContact CG1-CE2 3.5Å; V618-F622 VanDerWaalsContact CG1-CE2 3.5Å; V618-F622 VanDerWaalsContact O-CD2 3.28Å; V618-F622 WeakPolarHBondContact O-CD2 3.48Å; V618-F622 PolarHBondContact O-N 2.86Å
619	L	95.2	Very high	92.8	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-59.5	-42.2	173.6	-72.8	172.3	0	0	0	111.6	L505 V512 Y566 D615 F622 F623	L505-L619 HydrophobicContact CD2-CD1 4.1Å; V512-L619 HydrophobicContact CG2-CD2 4.33Å; V512-L619 WeakPolarHBondContact CG2-O 3.39Å; Y566-L619 WeakPolarHBondContact O-CD2 3.26Å; D615-L619 WeakPolarHBondContact O-CB 3.3Å; D615-L619 VanDerWaalsContact O-CG 3.26Å; D615-L619 WeakPolarHBondContact O-CG 3.41Å; D615-L619 PolarHBondContact O-N 3.2Å; L619-F622 PolarHBondContact O-N 2.88Å; L619-F623 PolarHBondContact O-N 3.46Å
620	G	95.9	Very high	93.7	Very high	33 Å²	33	56.2 Å²	56.2	34%	0.34	30%	0.297	S	S	.	.	H	α-helix	trans	-62.1	-41.4	173.7	0	0	0	0	0	112.8	F616 M617 V618 F623 L624	F616-G620 PolarHBondContact O-N 2.94Å; M617-G620 PolarHBondContact O-N 3.12Å; V618-G620 VanDerWaalsContact C-N 3.31Å; V618-G620 PolarHBondContact O-N 3.24Å; G620-F623 WeakPolarHBondContact O-CB 3.32Å; G620-F623 PolarHBondContact O-N 3.24Å; G620-L624 WeakPolarHBondContact O-CG 3.48Å; G620-L624 PolarHBondContact O-N 3.1Å; G620-L624 VanDerWaalsContact O-N 3.08Å
621	A	96.6	Very high	94.4	Very high	44 Å²	44	56.9 Å²	56.9	36%	0.364	29%	0.294	S	S	.	.	H	α-helix	trans	-63.7	-45.6	174.8	0	0	0	0	0	111.7	M617 V618 F623 L624 I625	M617-A621 WeakPolarHBondContact O-CB 3.27Å; M617-A621 PolarHBondContact O-N 3.14Å; V618-A621 WeakPolarHBondContact O-CB 3.42Å; V618-A621 PolarHBondContact O-N 3.11Å; V618-A621 VanDerWaalsContact O-N 3.16Å; A621-F623 VanDerWaalsContact C-N 3.32Å; A621-F623 PolarHBondContact O-N 3.18Å; A621-L624 PolarHBondContact O-N 3.16Å; A621-I625 WeakPolarHBondContact O-CB 3.19Å; A621-I625 WeakPolarHBondContact O-CG1 3.34Å; A621-I625 PolarHBondContact O-N 3.33Å
622	F	96.2	Very high	94.7	Very high	40 Å²	40	55.6 Å²	55.6	18%	0.175	29%	0.292	C	S	.	.	H	α-helix	trans	-58.1	-44.2	174.6	-87.6	-68.6	0	0	0	112	V512 V564 Y569 V618 L619 L624 I625 L626	V512-F622 HydrophobicContact CG1-CB 3.89Å; V512-F622 HydrophobicContact CG2-CB 4.27Å; V564-F622 WeakPolarHBondContact O-CZ 3.34Å; Y569-F622 HydrophobicContact CD2-CE2 4.2Å; Y569-F622 AromaticContact CE2-CE2 3.86Å; Y569-F622 HydrophobicContact CE2-CE2 3.86Å; V618-F622 HydrophobicContact CG1-CD2 3.62Å; V618-F622 HydrophobicContact CG1-CE2 3.5Å; V618-F622 VanDerWaalsContact CG1-CE2 3.5Å; V618-F622 VanDerWaalsContact O-CD2 3.28Å; V618-F622 WeakPolarHBondContact O-CD2 3.48Å; V618-F622 PolarHBondContact O-N 2.86Å; L619-F622 PolarHBondContact O-N 2.88Å; F622-L624 PolarHBondContact O-N 3Å; F622-I625 PolarHBondContact O-N 2.91Å; F622-L626 VanDerWaalsContact O-CB 3.3Å; F622-L626 WeakPolarHBondContact O-CB 3.02Å; F622-L626 VanDerWaalsContact O-CG 3.28Å; F622-L626 WeakPolarHBondContact O-CG 3.38Å; F622-L626 PolarHBondContact O-N 2.78Å
623	F	96.2	Very high	94.9	Very high	46 Å²	46	54.9 Å²	54.9	20%	0.202	29%	0.292	C	S	.	.	H	α-helix	trans	-56.6	-50.2	176.2	173.9	-100	0	0	0	111.6	L511 V512 S515 L619 G620 A621 R627	L511-F623 HydrophobicContact CB-CD2 4.2Å; L511-F623 HydrophobicContact CB-CE2 4.35Å; V512-F623 HydrophobicContact CG2-CB 4.06Å; S515-F623 WeakPolarHBondContact OG-CD2 3.47Å; L619-F623 PolarHBondContact O-N 3.46Å; G620-F623 WeakPolarHBondContact O-CB 3.32Å; G620-F623 PolarHBondContact O-N 3.24Å; A621-F623 VanDerWaalsContact C-N 3.32Å; A621-F623 PolarHBondContact O-N 3.18Å; F623-R627 HydrophobicContact CD2-CG 4.4Å; F623-R627 HydrophobicContact CE1-CG 4.44Å; F623-R627 HydrophobicContact CE2-CG 4.13Å; F623-R627 HydrophobicContact CZ-CG 4.15Å; F623-R627 WeakPolarHBondContact O-CB 3.38Å; F623-R627 WeakPolarHBondContact O-CG 3.3Å; F623-R627 PolarHBondContact O-N 3.44Å
624	L	95.9	Very high	95	Very high	115 Å²	115	47.9 Å²	47.9	60%	0.602	27%	0.265	S	S	*	.	H	α-helix	trans	-65.9	-44.1	179.9	-68.2	175.4	0	0	0	112.6	G620 A621 F622 R627 L628	G620-L624 WeakPolarHBondContact O-CG 3.48Å; G620-L624 PolarHBondContact O-N 3.1Å; G620-L624 VanDerWaalsContact O-N 3.08Å; A621-L624 PolarHBondContact O-N 3.16Å; F622-L624 PolarHBondContact O-N 3Å; L624-R627 PolarHBondContact O-N 3.37Å; L624-L628 WeakPolarHBondContact O-CB 3.1Å; L624-L628 PolarHBondContact O-N 2.86Å
625	I	96.6	Very high	95	Very high	109 Å²	109	52.3 Å²	52.3	56%	0.559	28%	0.275	S	S	*	.	H	α-helix	trans	-63.2	-47.8	-179.8	-69.8	166.3	0	0	0	110.5	A621 F622 L628 A629	A621-I625 WeakPolarHBondContact O-CB 3.19Å; A621-I625 WeakPolarHBondContact O-CG1 3.34Å; A621-I625 PolarHBondContact O-N 3.33Å; F622-I625 PolarHBondContact O-N 2.91Å; I625-L628 PolarHBondContact O-N 3.26Å; I625-A629 WeakPolarHBondContact O-CB 3.27Å; I625-A629 PolarHBondContact O-N 3.4Å
626	L	95.8	Very high	95	Very high	22 Å²	22	60 Å²	60	12%	0.115	31%	0.305	C	S	.	.	H	α-helix	trans	-64	-42.9	179.2	-71.2	171.8	0	0	0	111.2	V512 L516 L519 F622 L628 A629 T630	V512-L626 HydrophobicContact CG1-CD1 3.81Å; L516-L626 HydrophobicContact CB-CD1 4.18Å; L516-L626 HydrophobicContact CD1-CD2 4.27Å; L519-L626 HydrophobicContact CD2-CD2 3.87Å; F622-L626 VanDerWaalsContact O-CB 3.3Å; F622-L626 WeakPolarHBondContact O-CB 3.02Å; F622-L626 VanDerWaalsContact O-CG 3.28Å; F622-L626 WeakPolarHBondContact O-CG 3.38Å; F622-L626 PolarHBondContact O-N 2.78Å; L626-L628 PolarHBondContact O-N 3.34Å; L626-A629 WeakPolarHBondContact O-CB 3.43Å; L626-A629 PolarHBondContact O-N 3.27Å; L626-T630 PolarHBondContact O-N 3.08Å; L626-T630 PolarHBondContact O-OG1 2.75Å
627	R	95.1	Very high	94.7	Very high	13 Å²	13	59.2 Å²	59.2	5%	0.049	30%	0.301	C	S	.	.	H	α-helix	trans	-62.5	-41.6	176	-70.9	-74.3	175.7	164.4	-3.3	112.1	F464 T468 Q514 S515 F623 L624 T630 Y631	F464-R627 HydrophobicContact CE1-CB 4.49Å; F464-R627 HydrophobicContact CZ-CB 4.37Å; F464-R627 WeakPolarHBondContact CZ-O 3.42Å; T468-R627 PolarHBondContact OG1-NH1 3.24Å; Q514-R627 VanDerWaalsContact OE1-NH2 3.14Å; S515-R627 PolarHBondContact OG-NE 3.4Å; S515-R627 PolarHBondContact OG-NH2 2.87Å; F623-R627 HydrophobicContact CD2-CG 4.4Å; F623-R627 HydrophobicContact CE1-CG 4.44Å; F623-R627 HydrophobicContact CE2-CG 4.13Å; F623-R627 HydrophobicContact CZ-CG 4.15Å; F623-R627 WeakPolarHBondContact O-CB 3.38Å; F623-R627 WeakPolarHBondContact O-CG 3.3Å; F623-R627 PolarHBondContact O-N 3.44Å; L624-R627 PolarHBondContact O-N 3.37Å; R627-T630 PolarHBondContact O-N 3.17Å; R627-Y631 PolarHBondContact O-N 2.8Å
628	L	95.8	Very high	94.3	Very high	106 Å²	106	53 Å²	53	56%	0.555	27%	0.271	S	S	*	.	H	α-helix	trans	-64.7	-42.8	175.2	-178.3	62.8	0	0	0	111.3	L624 I625 L626 T630 Y631 L632	L624-L628 WeakPolarHBondContact O-CB 3.1Å; L624-L628 PolarHBondContact O-N 2.86Å; I625-L628 PolarHBondContact O-N 3.26Å; L626-L628 PolarHBondContact O-N 3.34Å; L628-T630 VanDerWaalsContact C-N 3.35Å; L628-T630 PolarHBondContact O-N 3.46Å; L628-Y631 WeakPolarHBondContact O-CB 3.43Å; L628-Y631 PolarHBondContact O-N 3.32Å; L628-L632 HydrophobicContact CG-CD1 4.34Å; L628-L632 WeakPolarHBondContact O-CG 3.38Å; L628-L632 PolarHBondContact O-N 3.33Å
629	A	96.2	Very high	93.8	Very high	32 Å²	32	58.9 Å²	58.9	26%	0.264	29%	0.293	S	S	.	.	H	α-helix	trans	-60.6	-43	175.3	0	0	0	0	0	111.5	L519 I625 L626 Y631 L632 A633	L519-A629 HydrophobicContact CD1-CB 4.02Å; L519-A629 HydrophobicContact CD2-CB 4.24Å; I625-A629 WeakPolarHBondContact O-CB 3.27Å; I625-A629 PolarHBondContact O-N 3.4Å; L626-A629 WeakPolarHBondContact O-CB 3.43Å; L626-A629 PolarHBondContact O-N 3.27Å; A629-Y631 VanDerWaalsContact C-N 3.35Å; A629-Y631 PolarHBondContact O-N 3.25Å; A629-L632 PolarHBondContact O-N 3.19Å; A629-A633 WeakPolarHBondContact O-CB 3.47Å; A629-A633 PolarHBondContact O-N 2.91Å
630	T	95.3	Very high	93.1	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.006	32%	0.317	C	S	.	.	H	α-helix	trans	-60.5	-44.6	174.6	-51.9	0	0	0	0	111.2	F464 L518 L519 A522 L626 R627 L628 L632 A633 L634	F464-T630 HydrophobicContact CE2-CG2 3.75Å; F464-T630 HydrophobicContact CZ-CG2 4.29Å; L518-T630 HydrophobicContact CB-CG2 4.1Å; L519-T630 WeakPolarHBondContact CA-OG1 3.36Å; L519-T630 WeakPolarHBondContact CB-OG1 3.43Å; L519-T630 PolarHBondContact N-OG1 3.44Å; A522-T630 HydrophobicContact CB-CG2 3.9Å; L626-T630 PolarHBondContact O-N 3.08Å; L626-T630 PolarHBondContact O-OG1 2.75Å; R627-T630 PolarHBondContact O-N 3.17Å; L628-T630 VanDerWaalsContact C-N 3.35Å; L628-T630 PolarHBondContact O-N 3.46Å; T630-L632 VanDerWaalsContact C-N 3.34Å; T630-L632 PolarHBondContact O-N 3.12Å; T630-A633 PolarHBondContact O-N 3.04Å; T630-L634 WeakPolarHBondContact O-CB 3.31Å; T630-L634 PolarHBondContact O-N 3.5Å
631	Y	95.2	Very high	92.1	Very high	40 Å²	40	65.6 Å²	65.6	16%	0.157	32%	0.324	C	S	.	.	H	α-helix	trans	-60.4	-43.2	176.4	175.7	-97.5	0	0	0	112.1	L460 K461 F464 R627 L628 A629 L634 R635	L460-Y631 HydrophobicContact CD2-CD2 4.49Å; L460-Y631 HydrophobicContact CD2-CE2 3.85Å; L460-Y631 HydrophobicContact CG-CD2 4.43Å; L460-Y631 HydrophobicContact CG-CE2 3.8Å; K461-Y631 HydrophobicContact CG-CE2 4.27Å; K461-Y631 WeakPolarHBondContact CG-OH 3.4Å; F464-Y631 HydrophobicContact CB-CD2 4.15Å; F464-Y631 AromaticContact CD1-CD2 3.96Å; F464-Y631 HydrophobicContact CD1-CD2 3.96Å; F464-Y631 HydrophobicContact CD1-CG 4.46Å; F464-Y631 HydrophobicContact CG-CD2 4.05Å; R627-Y631 PolarHBondContact O-N 2.8Å; L628-Y631 WeakPolarHBondContact O-CB 3.43Å; L628-Y631 PolarHBondContact O-N 3.32Å; A629-Y631 VanDerWaalsContact C-N 3.35Å; A629-Y631 PolarHBondContact O-N 3.25Å; Y631-L634 PolarHBondContact O-N 3.02Å; Y631-R635 WeakPolarHBondContact O-CB 3.38Å; Y631-R635 PolarHBondContact O-N 3.43Å
632	L	95.3	Very high	90.7	Very high	89 Å²	89	68.1 Å²	68.1	47%	0.466	32%	0.324	S	S	.	.	H	α-helix	trans	-66.3	-41.4	176.9	-69	174.4	0	0	0	112	L628 A629 T630 R635 Y636	L628-L632 HydrophobicContact CG-CD1 4.34Å; L628-L632 WeakPolarHBondContact O-CG 3.38Å; L628-L632 PolarHBondContact O-N 3.33Å; A629-L632 PolarHBondContact O-N 3.19Å; T630-L632 VanDerWaalsContact C-N 3.34Å; T630-L632 PolarHBondContact O-N 3.12Å; L632-R635 PolarHBondContact O-N 3.48Å; L632-Y636 WeakPolarHBondContact O-CB 3.46Å; L632-Y636 PolarHBondContact O-N 3.19Å
633	A	93.8	Very high	90.4	Very high	23 Å²	23	69.6 Å²	69.6	19%	0.19	33%	0.331	C	S	.	.	H	α-helix	trans	-60.6	-45.9	175.2	0	0	0	0	0	111.3	L519 A522 A629 T630 R635 Y636 R637	L519-A633 HydrophobicContact CD1-CB 4.26Å; A522-A633 HydrophobicContact CB-CB 4.32Å; A629-A633 WeakPolarHBondContact O-CB 3.47Å; A629-A633 PolarHBondContact O-N 2.91Å; T630-A633 PolarHBondContact O-N 3.04Å; A633-R635 PolarHBondContact O-N 3.23Å; A633-Y636 PolarHBondContact O-N 2.89Å; A633-R637 WeakPolarHBondContact O-CG 3.36Å; A633-R637 PolarHBondContact O-N 3.33Å
634	L	92.3	Very high	90.1	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-65.2	-40	177.3	-169.3	60.7	0	0	0	111.6	M446 F449 M450 L460 Y463 T630 Y631 R637 V638	M446-L634 HydrophobicContact CG-CD1 3.86Å; M446-L634 HydrophobicContact SD-CD1 3.89Å; F449-L634 HydrophobicContact CD1-CD1 4.01Å; F449-L634 HydrophobicContact CD1-CD2 4.34Å; F449-L634 HydrophobicContact CD1-CG 4.46Å; F449-L634 HydrophobicContact CE1-CD1 3.9Å; F449-L634 HydrophobicContact CE1-CD2 4.01Å; F449-L634 HydrophobicContact CE1-CG 3.94Å; F449-L634 HydrophobicContact CZ-CD2 4.4Å; M450-L634 HydrophobicContact CE-CD1 3.95Å; L460-L634 HydrophobicContact CD1-CB 4.29Å; L460-L634 HydrophobicContact CD1-CD2 3.39Å; L460-L634 HydrophobicContact CD1-CG 3.58Å; Y463-L634 HydrophobicContact CD1-CD2 4.4Å; Y463-L634 HydrophobicContact CE1-CD2 4.29Å; T630-L634 WeakPolarHBondContact O-CB 3.31Å; T630-L634 PolarHBondContact O-N 3.5Å; Y631-L634 PolarHBondContact O-N 3.02Å; L634-R637 PolarHBondContact O-N 2.73Å; L634-V638 WeakPolarHBondContact O-CG2 3.05Å; L634-V638 PolarHBondContact O-N 3.36Å
635	R	92.2	Very high	89.8	Confident	150 Å²	150	68.3 Å²	68.3	57%	0.566	32%	0.324	S	S	*	.	H	α-helix	trans	-63.1	-41.2	174.3	-172.4	179.8	179.6	-171.4	-0.3	112.1	L460 Y631 L632 A633 K639	L460-R635 HydrophobicContact CD2-CB 3.74Å; L460-R635 HydrophobicContact CD2-CG 4.09Å; Y631-R635 WeakPolarHBondContact O-CB 3.38Å; Y631-R635 PolarHBondContact O-N 3.43Å; L632-R635 PolarHBondContact O-N 3.48Å; A633-R635 PolarHBondContact O-N 3.23Å; R635-K639 WeakPolarHBondContact O-CB 2.94Å; R635-K639 PolarHBondContact O-N 2.96Å
636	Y	91.1	Very high	89.4	Confident	162 Å²	162	65.9 Å²	65.9	64%	0.635	31%	0.31	S	S	*	.	H	α-helix	trans	-63.8	-44	175.8	177.9	-95.7	0	0	0	111	L632 A633 K639 S640	L632-Y636 WeakPolarHBondContact O-CB 3.46Å; L632-Y636 PolarHBondContact O-N 3.19Å; A633-Y636 PolarHBondContact O-N 2.89Å; Y636-K639 CarbonylContact O-C 3.57Å; Y636-K639 PolarHBondContact O-N 2.92Å; Y636-K639 VanDerWaalsContact O-N 3.13Å; Y636-S640 WeakPolarHBondContact O-CB 3.49Å; Y636-S640 PolarHBondContact O-N 3.43Å
637	R	88.1	Confident	89	Confident	45 Å²	45	68.7 Å²	68.7	17%	0.17	32%	0.322	C	S	.	.	H	α-helix	trans	-59.2	-48.9	175.6	-76.9	-67.7	-169.3	128.3	7.6	112.8	M450 A523 S524 T525 A633 L634 K639 S640 E641	M450-R637 HydrophobicContact CE-CB 3.47Å; M450-R637 VanDerWaalsContact CE-CB 3.47Å; A523-R637 PolarHBondContact O-NH2 3.44Å; S524-R637 PolarHBondContact O-NH2 2.02Å; T525-R637 VanDerWaalsContact CA-NH2 3.34Å; A633-R637 WeakPolarHBondContact O-CG 3.36Å; A633-R637 PolarHBondContact O-N 3.33Å; L634-R637 PolarHBondContact O-N 2.73Å; R637-K639 PolarHBondContact O-N 3.07Å; R637-S640 PolarHBondContact O-N 3.27Å; R637-E641 PolarHBondContact O-N 2.61Å
638	V	86.8	Confident	88.6	Confident	8 Å²	8	72.4 Å²	72.4	5%	0.048	34%	0.34	C	S	.	.	H	α-helix	trans	-58	-36.9	174.9	170.3	0	0	0	0	111.6	F449 M450 L634 R642	F449-V638 HydrophobicContact CE1-CG2 3.81Å; F449-V638 HydrophobicContact CZ-CG2 4.28Å; M450-V638 HydrophobicContact CE-CG2 3.87Å; M450-V638 HydrophobicContact SD-CB 4.49Å; M450-V638 HydrophobicContact SD-CG2 3.6Å; M450-V638 VanDerWaalsContact SD-CG2 3.6Å; L634-V638 WeakPolarHBondContact O-CG2 3.05Å; L634-V638 PolarHBondContact O-N 3.36Å; V638-R642 VanDerWaalsContact O-CG 3.32Å; V638-R642 WeakPolarHBondContact O-CG 3.4Å
639	K	85	Confident	88.1	Confident	157 Å²	157	70 Å²	70	68%	0.683	33%	0.325	S	S	*	.	H	α-helix	trans	-73.9	-31.2	177.3	-171.5	-179.7	176.5	-173.2	0	112.5	R635 Y636 R637 R642	R635-K639 WeakPolarHBondContact O-CB 2.94Å; R635-K639 PolarHBondContact O-N 2.96Å; Y636-K639 CarbonylContact O-C 3.57Å; Y636-K639 PolarHBondContact O-N 2.92Å; Y636-K639 VanDerWaalsContact O-N 3.13Å; R637-K639 PolarHBondContact O-N 3.07Å; K639-R642 PolarHBondContact O-N 2.95Å
640	S	80.6	Confident	87.5	Confident	74 Å²	74	72.9 Å²	72.9	52%	0.517	33%	0.329	S	S	.	.	H	α-helix	trans	-75.1	-28.9	179.1	-174.1	0	0	0	0	112.9	Y636 R637	Y636-S640 WeakPolarHBondContact O-CB 3.49Å; Y636-S640 PolarHBondContact O-N 3.43Å; R637-S640 PolarHBondContact O-N 3.27Å
641	E	74	Confident	86.8	Confident	102 Å²	102	78.9 Å²	78.9	48%	0.477	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-2.4	173.1	-66.8	-63.4	158.5	0	0	112.7	R637	R637-E641 PolarHBondContact O-N 2.61Å
642	R	67.5	Low	86.1	Confident	97 Å²	97	82.5 Å²	82.5	37%	0.366	37%	0.374	S	S	.	.			trans	-108.6	0	175.9	-72.7	176	179.2	-167	1.9	110.5	Y115 H453 L454 V638 K639	Y115-R642 CarbonylContact O-C 3.59Å; Y115-R642 VanDerWaalsContact O-CA 3.3Å; Y115-R642 WeakPolarHBondContact O-CA 3.47Å; H453-R642 PolarHBondContact NE2-NH2 3.32Å; L454-R642 HydrophobicContact CD2-CG 4.28Å; V638-R642 VanDerWaalsContact O-CG 3.32Å; V638-R642 WeakPolarHBondContact O-CG 3.4Å; K639-R642 PolarHBondContact O-N 2.95Å

Retrieved 642 of 642 residues in 1080.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).