A0A093I0J1_STRCA Loading...

Inhibitor of apoptosis protein

AlphaFold DB , UniProt , Accession A0A093I0J1, Species STRCA (Struthio camelus australis), Gene n/a, Length 610 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.2	Very low	35.8	Very low	235 Å²	235	131.3 Å²	131.3	100%	1.158	69%	0.694	S	S	*	*				0	141.7	0	-69.8	175.6	179.7	0	0	107.3
2	N	36.2	Very low	35.9	Very low	117 Å²	117	129.5 Å²	129.5	63%	0.626	69%	0.685	S	S	*	*			trans	-77.6	135.2	-169.4	-68.6	-9.5	0	0	0	112	E5	N2-E5 HydrophobicContact CB-CG 4.44Å; N2-E5 VanDerWaalsContact CB-OE2 3.23Å; N2-E5 WeakPolarHBondContact CB-OE2 3.42Å; N2-E5 VanDerWaalsContact ND2-CD 3.27Å; N2-E5 PolarHBondContact ND2-OE2 3.16Å
3	I	30	Very low	35.7	Very low	166 Å²	166	130.2 Å²	130.2	85%	0.851	69%	0.685	S	S	*	*	S	Bend	trans	-107.6	-13.4	166.2	-63.3	177.2	0	0	0	110.4	E5	I3-E5 PolarHBondContact O-N 3.26Å
4	M	35.4	Very low	35.8	Very low	161 Å²	161	133.4 Å²	133.4	79%	0.793	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-79.4	-15.5	-170.5	-64.4	-179.2	71.3	0	0	115.7
5	E	37.4	Very low	35.7	Very low	146 Å²	146	134.6 Å²	134.6	68%	0.682	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-92	-13	-164.9	-70.3	172.4	129.9	0	0	115.3	N2 I3	N2-E5 HydrophobicContact CB-CG 4.44Å; N2-E5 VanDerWaalsContact CB-OE2 3.23Å; N2-E5 WeakPolarHBondContact CB-OE2 3.42Å; N2-E5 VanDerWaalsContact ND2-CD 3.27Å; N2-E5 PolarHBondContact ND2-OE2 3.16Å; I3-E5 PolarHBondContact O-N 3.26Å
6	N	38.3	Very low	35.7	Very low	158 Å²	158	137.4 Å²	137.4	85%	0.845	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-100	13.9	-172.1	-74	-23.9	0	0	0	115.1	P8	N6-P8 WeakPolarHBondContact O-CD 3.23Å
7	S	35.9	Very low	35.4	Very low	49 Å²	49	133.3 Å²	133.3	34%	0.343	69%	0.69	S	S	.	*			trans	-106.5	103.7	179.3	-174.4	0	0	0	0	112.4	F9 L10	S7-F9 PolarHBondContact O-N 2.74Å; S7-F9 VanDerWaalsContact O-N 3.16Å; S7-L10 PolarHBondContact O-N 3.36Å
8	P	37.1	Very low	35.3	Very low	108 Å²	108	131.8 Å²	131.8	70%	0.701	70%	0.701	S	S	*	*	H	α-helix	trans	-66.8	-14.4	177	27.6	-34.6	0	0	0	113.3	N6	N6-P8 WeakPolarHBondContact O-CD 3.23Å
9	F	36.1	Very low	35.3	Very low	159 Å²	159	133.1 Å²	133.1	70%	0.697	71%	0.707	S	S	*	*	H	α-helix	trans	-65.6	-46.9	173.4	-176.1	-100	0	0	0	111.6	S7 A11 N12	S7-F9 PolarHBondContact O-N 2.74Å; S7-F9 VanDerWaalsContact O-N 3.16Å; F9-A11 VanDerWaalsContact C-N 3.35Å; F9-A11 PolarHBondContact O-N 3.14Å; F9-N12 PolarHBondContact O-N 3.25Å
10	L	41.5	Very low	34.9	Very low	85 Å²	85	131.6 Å²	131.6	45%	0.445	71%	0.706	S	S	.	*	H	α-helix	trans	-67.4	-35.7	-179.9	-63.1	176.9	0	0	0	112.1	S7 N12 M13	S7-L10 PolarHBondContact O-N 3.36Å; L10-N12 PolarHBondContact O-N 3.48Å; L10-M13 PolarHBondContact O-N 3.46Å; L10-M13 VanDerWaalsContact O-N 3.14Å
11	A	37.1	Very low	34.7	Very low	60 Å²	60	132.8 Å²	132.8	50%	0.496	71%	0.712	S	S	.	*	H	α-helix	trans	-65.4	-20.4	179.3	0	0	0	0	0	114.4	F9	F9-A11 VanDerWaalsContact C-N 3.35Å; F9-A11 PolarHBondContact O-N 3.14Å
12	N	36.8	Very low	34.7	Very low	110 Å²	110	130.3 Å²	130.3	59%	0.588	70%	0.698	S	S	*	*	H	α-helix	trans	-86.2	-32	172.2	-96.7	-2.3	0	0	0	112.6	F9 L10 M14 K15	F9-N12 PolarHBondContact O-N 3.25Å; L10-N12 PolarHBondContact O-N 3.48Å; N12-M14 VanDerWaalsContact C-N 3.27Å; N12-M14 PolarHBondContact O-N 3.45Å; N12-K15 PolarHBondContact O-N 3.14Å; N12-K15 VanDerWaalsContact O-N 3.14Å
13	M	33.7	Very low	34.5	Very low	139 Å²	139	131.9 Å²	131.9	69%	0.685	71%	0.706	S	S	*	*	H	α-helix	trans	-65.1	-30.9	-176.4	-152.7	172.7	83.9	0	0	112.5	L10 K15	L10-M13 PolarHBondContact O-N 3.46Å; L10-M13 VanDerWaalsContact O-N 3.14Å; M13-K15 VanDerWaalsContact C-N 3.34Å; M13-K15 PolarHBondContact O-N 3.31Å
14	M	36	Very low	34.7	Very low	175 Å²	175	133.6 Å²	133.6	86%	0.862	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-3.9	176.4	-73.1	-173.2	164.8	0	0	115.2	N12	N12-M14 VanDerWaalsContact C-N 3.27Å; N12-M14 PolarHBondContact O-N 3.45Å
15	K	34.9	Very low	35.2	Very low	151 Å²	151	134.8 Å²	134.8	66%	0.657	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-11.2	-175.5	-75.4	-177.1	178.8	174.8	0	115.7	N12 M13	N12-K15 PolarHBondContact O-N 3.14Å; N12-K15 VanDerWaalsContact O-N 3.14Å; M13-K15 VanDerWaalsContact C-N 3.34Å; M13-K15 PolarHBondContact O-N 3.31Å
16	H	36.1	Very low	35.8	Very low	180 Å²	180	132.5 Å²	132.5	83%	0.833	70%	0.697	S	S	*	*	S	Bend	trans	-126	6	-170.6	-78.6	-74.5	0	0	0	115.9
17	S	29.5	Very low	36.6	Very low	67 Å²	67	126.9 Å²	126.9	47%	0.469	67%	0.666	S	S	.	*			trans	-117.6	89.1	170.2	-170.9	0	0	0	0	111.3	L19 C20	S17-L19 PolarHBondContact O-N 3.32Å; S17-C20 PolarHBondContact OG-SG 3.28Å
18	A	34.5	Very low	37.5	Very low	107 Å²	107	127.3 Å²	127.3	88%	0.884	67%	0.669	S	S	*	*			trans	-91	46.6	173	0	0	0	0	0	111.6
19	L	34.7	Very low	38.5	Very low	156 Å²	156	123.8 Å²	123.8	82%	0.817	65%	0.647	S	S	*	*			trans	-164.7	61.2	172.2	-110.9	168.1	0	0	0	111.1	S17	S17-L19 PolarHBondContact O-N 3.32Å
20	C	28.5	Very low	39.8	Very low	103 Å²	103	119.8 Å²	119.8	70%	0.696	63%	0.63	S	S	*	*			trans	-112.3	90.5	167.1	-68.7	0	0	0	0	109.5	S17	S17-C20 PolarHBondContact OG-SG 3.28Å
21	D	30.7	Very low	40.4	Very low	156 Å²	156	121.7 Å²	121.7	83%	0.834	64%	0.64	S	S	*	*			trans	-62.6	139.7	156.1	-88.5	-44.6	0	0	0	108.7
22	E	28.6	Very low	41.2	Very low	184 Å²	184	124.3 Å²	124.3	86%	0.86	64%	0.638	S	S	*	*			trans	-65.5	139.6	-173.4	-61.5	-179.5	131.6	0	0	112	K24	E22-K24 VanDerWaalsContact C-N 3.34Å; E22-K24 PolarHBondContact O-N 2.58Å
23	L	31.8	Very low	43.1	Very low	149 Å²	149	119.3 Å²	119.3	78%	0.78	61%	0.611	S	S	*	*			trans	-63.1	92	171.9	-85.9	165.8	0	0	0	110.3	Y25	L23-Y25 VanDerWaalsContact O-CD2 3.28Å; L23-Y25 WeakPolarHBondContact O-CD2 3.08Å; L23-Y25 WeakPolarHBondContact O-CE2 3.47Å; L23-Y25 PolarHBondContact O-N 3.41Å
24	K	35.2	Very low	44.4	Very low	203 Å²	203	115.1 Å²	115.1	88%	0.883	59%	0.59	S	S	*	*			trans	-83.5	84.9	-169.5	-151.5	173.1	-165.6	171.2	0	111.2	E22 D26	E22-K24 VanDerWaalsContact C-N 3.34Å; E22-K24 PolarHBondContact O-N 2.58Å; K24-D26 PolarHBondContact O-N 2.9Å
25	Y	44.3	Very low	45.3	Very low	185 Å²	185	110.1 Å²	110.1	73%	0.725	57%	0.573	S	S	*	*			trans	-52	119.4	178.6	-59.6	-81.7	0	0	0	112.3	L23 L27	L23-Y25 VanDerWaalsContact O-CD2 3.28Å; L23-Y25 WeakPolarHBondContact O-CD2 3.08Å; L23-Y25 WeakPolarHBondContact O-CE2 3.47Å; L23-Y25 PolarHBondContact O-N 3.41Å; Y25-L27 PolarHBondContact O-N 3.31Å
26	D	51	Low	46.6	Very low	99 Å²	99	104.6 Å²	104.6	53%	0.529	55%	0.552	S	S	.	*			trans	-81	100	177.5	-176.3	20	0	0	0	112.1	K24 S28	K24-D26 PolarHBondContact O-N 2.9Å; D26-S28 VanDerWaalsContact CG-OG 3.22Å; D26-S28 PolarHBondContact O-N 3.25Å; D26-S28 WeakPolarHBondContact OD1-CB 3.17Å; D26-S28 PolarHBondContact OD1-N 3.35Å; D26-S28 PolarHBondContact OD1-OG 3.28Å; D26-S28 PolarHBondContact OD2-OG 2.81Å
27	L	54.5	Low	48.4	Very low	40 Å²	40	96.6 Å²	96.6	21%	0.209	51%	0.514	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	5.9	176.1	-65.3	165.4	0	0	0	113.2	Y25 C29 R33 T36 Y57 F68	Y25-L27 PolarHBondContact O-N 3.31Å; L27-C29 VanDerWaalsContact C-N 3.27Å; L27-R33 HydrophobicContact CB-CG 4.34Å; L27-R33 HydrophobicContact CD2-CG 4.31Å; L27-R33 VanDerWaalsContact O-CD 3.26Å; L27-R33 WeakPolarHBondContact O-CD 3.35Å; L27-R33 WeakPolarHBondContact O-CG 3.06Å; L27-R33 PolarHBondContact O-NH1 3.22Å; L27-T36 HydrophobicContact CD2-CG2 4.03Å; L27-Y57 HydrophobicContact CD1-CD1 3.87Å; L27-Y57 HydrophobicContact CD1-CD2 3.98Å; L27-Y57 HydrophobicContact CD1-CE1 3.86Å; L27-Y57 HydrophobicContact CD1-CE2 3.95Å; L27-Y57 HydrophobicContact CD1-CG 3.94Å; L27-Y57 HydrophobicContact CD2-CG 4.27Å; L27-F68 HydrophobicContact CB-CB 3.84Å; L27-F68 WeakPolarHBondContact O-CB 3.23Å; L27-F68 VanDerWaalsContact O-CG 3.3Å; L27-F68 WeakPolarHBondContact O-CG 3.27Å
28	S	56.1	Low	50.2	Low	57 Å²	57	98.3 Å²	98.3	40%	0.399	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-30.1	170.1	86.4	0	0	0	0	112.6	D26 R33	D26-S28 VanDerWaalsContact CG-OG 3.22Å; D26-S28 PolarHBondContact O-N 3.25Å; D26-S28 WeakPolarHBondContact OD1-CB 3.17Å; D26-S28 PolarHBondContact OD1-N 3.35Å; D26-S28 PolarHBondContact OD1-OG 3.28Å; D26-S28 PolarHBondContact OD2-OG 2.81Å; S28-R33 PolarHBondContact O-NH1 3.18Å
29	C	56.9	Low	51.9	Low	35 Å²	35	98 Å²	98	24%	0.236	51%	0.514	C	S	.	.	S	Bend	trans	-79.8	129.8	179.3	178.2	0	0	0	0	112.3	L27 L31 Y32 R33	L27-C29 VanDerWaalsContact C-N 3.27Å; C29-L31 VanDerWaalsContact C-N 3.3Å; C29-L31 PolarHBondContact O-N 2.89Å; C29-Y32 HydrophobicContact CB-CD2 3.88Å; C29-Y32 PolarHBondContact O-N 2.6Å; C29-R33 PolarHBondContact O-N 3.24Å; C29-R33 VanDerWaalsContact O-N 3.07Å
30	E	64.3	Low	53.8	Low	74 Å²	74	91.2 Å²	91.2	35%	0.346	48%	0.478	S	S	.	.	H	α-helix	trans	-62.4	-34.7	-179.8	-171.1	173.2	140.8	0	0	112.7	R33 M34 A52	E30-R33 PolarHBondContact O-N 3.24Å; E30-M34 HydrophobicContact CG-CE 4.14Å; E30-M34 WeakPolarHBondContact O-CB 3.43Å; E30-M34 PolarHBondContact O-N 3.05Å; E30-A52 HydrophobicContact CG-CB 4.26Å
31	L	53	Low	56.1	Low	126 Å²	126	88.6 Å²	88.6	66%	0.66	46%	0.46	S	S	*	.	H	α-helix	trans	-67.1	-38.7	178.3	-61.9	175.2	0	0	0	112.2	C29 M34 S35	C29-L31 VanDerWaalsContact C-N 3.3Å; C29-L31 PolarHBondContact O-N 2.89Å; L31-M34 VanDerWaalsContact O-CB 3.3Å; L31-M34 WeakPolarHBondContact O-CB 3.31Å; L31-M34 PolarHBondContact O-N 2.91Å; L31-S35 PolarHBondContact O-N 2.91Å
32	Y	53.4	Low	57.9	Low	115 Å²	115	87.7 Å²	87.7	45%	0.451	46%	0.459	S	S	.	.	H	α-helix	trans	-73.2	-31.6	174.8	-79.6	-74.2	0	0	0	112.4	C29 S35	C29-Y32 HydrophobicContact CB-CD2 3.88Å; C29-Y32 PolarHBondContact O-N 2.6Å; Y32-S35 PolarHBondContact O-OG 2.91Å; Y32-S35 VanDerWaalsContact O-OG 3.05Å
33	R	76.9	Confident	60.2	Low	4 Å²	4	86.5 Å²	86.5	2%	0.015	46%	0.459	C	S	.	.	H	α-helix	trans	-65.4	-41.2	167.6	-65.4	-164.4	-59.7	-79	-3.8	111.4	L27 S28 C29 E30 S35 T36 F37 A52 F56	L27-R33 HydrophobicContact CB-CG 4.34Å; L27-R33 HydrophobicContact CD2-CG 4.31Å; L27-R33 VanDerWaalsContact O-CD 3.26Å; L27-R33 WeakPolarHBondContact O-CD 3.35Å; L27-R33 WeakPolarHBondContact O-CG 3.06Å; L27-R33 PolarHBondContact O-NH1 3.22Å; S28-R33 PolarHBondContact O-NH1 3.18Å; C29-R33 PolarHBondContact O-N 3.24Å; C29-R33 VanDerWaalsContact O-N 3.07Å; E30-R33 PolarHBondContact O-N 3.24Å; R33-S35 VanDerWaalsContact C-N 3.33Å; R33-S35 PolarHBondContact O-N 2.93Å; R33-T36 WeakPolarHBondContact O-CB 3.42Å; R33-T36 PolarHBondContact O-N 3.35Å; R33-T36 VanDerWaalsContact O-N 3.16Å; R33-T36 PolarHBondContact O-OG1 3.17Å; R33-F37 WeakPolarHBondContact O-CD2 3.44Å; R33-F37 WeakPolarHBondContact O-CE2 3.48Å; R33-A52 HydrophobicContact CB-CB 4.21Å; R33-A52 VanDerWaalsContact CZ-O 3.31Å; R33-A52 PolarHBondContact NE-O 3.16Å; R33-A52 PolarHBondContact NH2-O 2.86Å; R33-F56 WeakPolarHBondContact CD-O 3.28Å
34	M	60.8	Low	62.2	Low	51 Å²	51	80.7 Å²	80.7	25%	0.251	43%	0.43	S	S	.	.	H	α-helix	trans	-54.9	-45.1	178.7	-154.9	70.1	58.1	0	0	112.5	E30 L31 T36 F37 R49 A52	E30-M34 HydrophobicContact CG-CE 4.14Å; E30-M34 WeakPolarHBondContact O-CB 3.43Å; E30-M34 PolarHBondContact O-N 3.05Å; L31-M34 VanDerWaalsContact O-CB 3.3Å; L31-M34 WeakPolarHBondContact O-CB 3.31Å; L31-M34 PolarHBondContact O-N 2.91Å; M34-T36 VanDerWaalsContact C-N 3.25Å; M34-T36 PolarHBondContact O-N 3.38Å; M34-F37 PolarHBondContact O-N 3.09Å; M34-F37 VanDerWaalsContact O-N 3.13Å; M34-R49 HydrophobicContact CE-CB 4.26Å; M34-R49 HydrophobicContact CE-CG 4Å; M34-R49 HydrophobicContact SD-CB 4.09Å; M34-R49 HydrophobicContact SD-CG 4.43Å; M34-A52 HydrophobicContact CE-CB 3.59Å; M34-A52 HydrophobicContact SD-CB 3.96Å
35	S	56.5	Low	64	Low	70 Å²	70	73.9 Å²	73.9	49%	0.49	41%	0.406	S	S	.	.	H	α-helix	trans	-67.4	-22.9	-177.9	62.3	0	0	0	0	113.8	L31 Y32 R33 F37 S38	L31-S35 PolarHBondContact O-N 2.91Å; Y32-S35 PolarHBondContact O-OG 2.91Å; Y32-S35 VanDerWaalsContact O-OG 3.05Å; R33-S35 VanDerWaalsContact C-N 3.33Å; R33-S35 PolarHBondContact O-N 2.93Å; S35-F37 PolarHBondContact O-N 2.99Å; S35-S38 VanDerWaalsContact O-CB 3.32Å; S35-S38 WeakPolarHBondContact O-CB 3.49Å; S35-S38 PolarHBondContact O-N 3.12Å; S35-S38 PolarHBondContact O-OG 2.95Å
36	T	61.8	Low	65.4	Low	36 Å²	36	65.5 Å²	65.5	22%	0.221	37%	0.374	C	S	.	.	H	α-helix	trans	-62.6	-29	173	69.4	0	0	0	0	112.6	L27 R33 M34 S38 Y58	L27-T36 HydrophobicContact CD2-CG2 4.03Å; R33-T36 WeakPolarHBondContact O-CB 3.42Å; R33-T36 PolarHBondContact O-N 3.35Å; R33-T36 VanDerWaalsContact O-N 3.16Å; R33-T36 PolarHBondContact O-OG1 3.17Å; M34-T36 VanDerWaalsContact C-N 3.25Å; M34-T36 PolarHBondContact O-N 3.38Å; T36-S38 PolarHBondContact O-N 3.13Å; T36-Y58 WeakPolarHBondContact O-CD1 3.2Å; T36-Y58 PolarHBondContact OG1-N 3.04Å
37	F	74.3	Confident	66.8	Low	11 Å²	11	63.3 Å²	63.3	5%	0.048	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-77.6	4.6	-179.7	-65.4	-91.6	0	0	0	114.2	R33 M34 S35 T39 F40 E48 L51 A52 V65	R33-F37 WeakPolarHBondContact O-CD2 3.44Å; R33-F37 WeakPolarHBondContact O-CE2 3.48Å; M34-F37 PolarHBondContact O-N 3.09Å; M34-F37 VanDerWaalsContact O-N 3.13Å; S35-F37 PolarHBondContact O-N 2.99Å; F37-T39 PolarHBondContact O-N 2.96Å; F37-F40 HydrophobicContact CB-CB 4.1Å; F37-F40 HydrophobicContact CD1-CB 4.05Å; F37-F40 HydrophobicContact CD1-CD1 4.13Å; F37-F40 AromaticContact CD1-CD2 3.76Å; F37-F40 HydrophobicContact CD1-CD2 3.76Å; F37-F40 HydrophobicContact CD1-CE1 4.49Å; F37-F40 HydrophobicContact CD1-CE2 4.16Å; F37-F40 AromaticContact CD1-CG 3.74Å; F37-F40 HydrophobicContact CD1-CG 3.74Å; F37-F40 HydrophobicContact CE1-CD2 4.17Å; F37-F40 HydrophobicContact CE1-CE2 4.13Å; F37-F40 HydrophobicContact CE1-CG 4.5Å; F37-F40 HydrophobicContact CE1-CZ 4.41Å; F37-F40 VanDerWaalsContact O-CB 3.26Å; F37-F40 WeakPolarHBondContact O-CB 3.23Å; F37-F40 PolarHBondContact O-N 3.21Å; F37-E48 HydrophobicContact CB-CB 3.66Å; F37-E48 HydrophobicContact CB-CG 3.57Å; F37-E48 HydrophobicContact CD1-CB 3.97Å; F37-E48 HydrophobicContact CD1-CG 4.03Å; F37-E48 HydrophobicContact CD2-CB 4.33Å; F37-E48 HydrophobicContact CG-CB 3.73Å; F37-E48 HydrophobicContact CG-CG 4.01Å; F37-L51 HydrophobicContact CD1-CD1 4.5Å; F37-L51 HydrophobicContact CE1-CB 3.77Å; F37-L51 HydrophobicContact CE1-CD1 3.78Å; F37-L51 HydrophobicContact CE1-CG 4.4Å; F37-L51 HydrophobicContact CE2-CB 4.48Å; F37-L51 HydrophobicContact CZ-CB 3.56Å; F37-L51 HydrophobicContact CZ-CD1 4.46Å; F37-A52 HydrophobicContact CE2-CB 4.11Å; F37-V65 HydrophobicContact CE1-CG1 3.63Å; F37-V65 HydrophobicContact CZ-CG1 4.03Å
38	S	66.1	Low	67.8	Low	103 Å²	103	64.7 Å²	64.7	72%	0.72	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-56.1	-14.6	176.7	49	0	0	0	0	115.5	S35 T36	S35-S38 VanDerWaalsContact O-CB 3.32Å; S35-S38 WeakPolarHBondContact O-CB 3.49Å; S35-S38 PolarHBondContact O-N 3.12Å; S35-S38 PolarHBondContact O-OG 2.95Å; T36-S38 PolarHBondContact O-N 3.13Å
39	T	71.3	Confident	68.5	Low	101 Å²	101	68.1 Å²	68.1	62%	0.62	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-126.7	22	174.9	51.6	0	0	0	0	113	F37 Y58	F37-T39 PolarHBondContact O-N 2.96Å; T39-Y58 VanDerWaalsContact O-CE1 3.31Å; T39-Y58 WeakPolarHBondContact O-CE1 3.43Å
40	F	74	Confident	69.5	Low	14 Å²	14	68.3 Å²	68.3	6%	0.061	38%	0.378	C	S	.	.			trans	-70.2	147.2	177.8	-161.9	-120.2	0	0	0	111.3	F37 V42 V44 E48 L51 Y58 D63 V65	F37-F40 HydrophobicContact CB-CB 4.1Å; F37-F40 HydrophobicContact CD1-CB 4.05Å; F37-F40 HydrophobicContact CD1-CD1 4.13Å; F37-F40 AromaticContact CD1-CD2 3.76Å; F37-F40 HydrophobicContact CD1-CD2 3.76Å; F37-F40 HydrophobicContact CD1-CE1 4.49Å; F37-F40 HydrophobicContact CD1-CE2 4.16Å; F37-F40 AromaticContact CD1-CG 3.74Å; F37-F40 HydrophobicContact CD1-CG 3.74Å; F37-F40 HydrophobicContact CE1-CD2 4.17Å; F37-F40 HydrophobicContact CE1-CE2 4.13Å; F37-F40 HydrophobicContact CE1-CG 4.5Å; F37-F40 HydrophobicContact CE1-CZ 4.41Å; F37-F40 VanDerWaalsContact O-CB 3.26Å; F37-F40 WeakPolarHBondContact O-CB 3.23Å; F37-F40 PolarHBondContact O-N 3.21Å; F40-V42 PolarHBondContact O-N 2.79Å; F40-V44 HydrophobicContact CD1-CB 4.42Å; F40-V44 HydrophobicContact CE1-CB 3.68Å; F40-V44 HydrophobicContact CE1-CG1 3.67Å; F40-V44 HydrophobicContact CE1-CG2 3.95Å; F40-V44 HydrophobicContact CZ-CB 4.16Å; F40-V44 HydrophobicContact CZ-CG1 3.82Å; F40-V44 HydrophobicContact CZ-CG2 4.1Å; F40-E48 HydrophobicContact CB-CG 4.37Å; F40-E48 HydrophobicContact CD1-CG 4.03Å; F40-L51 HydrophobicContact CE1-CD1 3.7Å; F40-L51 HydrophobicContact CE2-CD1 4.43Å; F40-L51 HydrophobicContact CZ-CD1 3.55Å; F40-Y58 HydrophobicContact CB-CD1 4.44Å; F40-Y58 HydrophobicContact CD2-CD1 4.25Å; F40-Y58 AromaticContact CD2-CD2 3.51Å; F40-Y58 HydrophobicContact CD2-CD2 3.51Å; F40-Y58 HydrophobicContact CD2-CE1 4.43Å; F40-Y58 AromaticContact CD2-CE2 3.77Å; F40-Y58 HydrophobicContact CD2-CE2 3.77Å; F40-Y58 AromaticContact CD2-CG 3.8Å; F40-Y58 HydrophobicContact CD2-CG 3.8Å; F40-Y58 AromaticContact CE2-CD2 3.9Å; F40-Y58 HydrophobicContact CE2-CD2 3.9Å; F40-Y58 HydrophobicContact CE2-CE2 4.22Å; F40-D63 HydrophobicContact CE2-CB 4.28Å; F40-D63 HydrophobicContact CZ-CB 4.2Å; F40-V65 HydrophobicContact CE2-CG1 3.85Å; F40-V65 HydrophobicContact CZ-CG1 4.25Å
41	P	77.8	Confident	70.2	Confident	48 Å²	48	64.8 Å²	64.8	31%	0.312	36%	0.361	S	S	.	.			trans	-74.6	122.7	-175.4	-11.4	26.6	0	0	0	111.9	N43 V44 K62	P41-N43 PolarHBondContact O-N 3.18Å; P41-V44 HydrophobicContact CB-CG2 4.06Å; P41-V44 HydrophobicContact CG-CG2 4.19Å; P41-V44 VanDerWaalsContact O-CG2 3.27Å; P41-V44 WeakPolarHBondContact O-CG2 3.27Å; P41-V44 PolarHBondContact O-N 3.22Å; P41-K62 WeakPolarHBondContact CD-O 3.27Å; P41-K62 WeakPolarHBondContact CG-O 3.11Å
42	V	67.8	Low	71.3	Confident	137 Å²	137	58.8 Å²	58.8	83%	0.83	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-15.4	-176.2	-169.1	0	0	0	0	114.3	F40	F40-V42 PolarHBondContact O-N 2.79Å
43	N	75.9	Confident	72.4	Confident	159 Å²	159	61.3 Å²	61.3	85%	0.85	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	2.7	179.8	-64.1	-25.2	0	0	0	114.1	P41	P41-N43 PolarHBondContact O-N 3.18Å
44	V	75.4	Confident	72.6	Confident	27 Å²	27	61.2 Å²	61.2	16%	0.164	34%	0.339	C	S	.	.			trans	-79.3	127.8	-179.6	179.9	0	0	0	0	110.2	F40 P41 V46 D63 W77	F40-V44 HydrophobicContact CD1-CB 4.42Å; F40-V44 HydrophobicContact CE1-CB 3.68Å; F40-V44 HydrophobicContact CE1-CG1 3.67Å; F40-V44 HydrophobicContact CE1-CG2 3.95Å; F40-V44 HydrophobicContact CZ-CB 4.16Å; F40-V44 HydrophobicContact CZ-CG1 3.82Å; F40-V44 HydrophobicContact CZ-CG2 4.1Å; P41-V44 HydrophobicContact CB-CG2 4.06Å; P41-V44 HydrophobicContact CG-CG2 4.19Å; P41-V44 VanDerWaalsContact O-CG2 3.27Å; P41-V44 WeakPolarHBondContact O-CG2 3.27Å; P41-V44 PolarHBondContact O-N 3.22Å; V44-V46 PolarHBondContact O-N 3.12Å; V44-D63 HydrophobicContact CB-CB 4.48Å; V44-D63 HydrophobicContact CG1-CB 4.19Å; V44-D63 HydrophobicContact CG2-CB 3.39Å; V44-W77 HydrophobicContact CG1-CB 3.92Å; V44-W77 HydrophobicContact CG1-CG 4.28Å
45	P	72.8	Confident	73.5	Confident	59 Å²	59	58.8 Å²	58.8	38%	0.383	33%	0.327	S	S	.	.	S	Bend	trans	-83.6	24.6	-170.6	36.3	-39.6	0	0	0	114.4	W77 Q78 P79	P45-W77 WeakPolarHBondContact CD-O 2.97Å; P45-W77 VanDerWaalsContact CG-O 3.23Å; P45-W77 WeakPolarHBondContact CG-O 3.25Å; P45-Q78 VanDerWaalsContact CG-C 3.43Å; P45-P79 HydrophobicContact CB-CB 4.22Å; P45-P79 HydrophobicContact CB-CG 3.83Å; P45-P79 HydrophobicContact CG-CG 4.12Å
46	V	72.7	Confident	74.9	Confident	10 Å²	10	55.5 Å²	55.5	6%	0.061	30%	0.304	C	S	.	.	S	Bend	trans	-140.4	129.6	178.2	179.3	0	0	0	0	108.2	V44 L51 W77 D81	V44-V46 PolarHBondContact O-N 3.12Å; V46-L51 HydrophobicContact CG1-CD1 4.37Å; V46-L51 HydrophobicContact CG1-CD2 4.04Å; V46-L51 HydrophobicContact CG1-CG 4.01Å; V46-W77 HydrophobicContact CB-CB 4.38Å; V46-W77 HydrophobicContact CB-CE3 4.49Å; V46-W77 HydrophobicContact CG1-CE3 4.48Å; V46-W77 HydrophobicContact CG2-CB 3.91Å; V46-W77 HydrophobicContact CG2-CD2 4.37Å; V46-W77 HydrophobicContact CG2-CE3 3.99Å; V46-W77 HydrophobicContact CG2-CG 4.37Å; V46-D81 HydrophobicContact CG2-CB 3.7Å
47	S	80	Confident	75.8	Confident	53 Å²	53	56.2 Å²	56.2	37%	0.371	30%	0.303	S	S	.	.			trans	-74.1	147	-173.7	62.4	0	0	0	0	114	R49 S50 L51	S47-R49 PolarHBondContact O-N 2.81Å; S47-S50 WeakPolarHBondContact O-CA 3.31Å; S47-S50 VanDerWaalsContact O-CB 3.25Å; S47-S50 WeakPolarHBondContact O-CB 3.42Å; S47-S50 PolarHBondContact O-N 3.02Å; S47-S50 PolarHBondContact OG-N 2.71Å; S47-L51 WeakPolarHBondContact O-CG 3.13Å; S47-L51 PolarHBondContact O-N 3.09Å
48	E	75.3	Confident	76.3	Confident	68 Å²	68	56.7 Å²	56.7	32%	0.318	30%	0.304	S	S	.	.	H	α-helix	trans	-48.5	-42.7	172	-54.5	75.9	-169	0	0	110.8	F37 F40 L51 A52	F37-E48 HydrophobicContact CB-CB 3.66Å; F37-E48 HydrophobicContact CB-CG 3.57Å; F37-E48 HydrophobicContact CD1-CB 3.97Å; F37-E48 HydrophobicContact CD1-CG 4.03Å; F37-E48 HydrophobicContact CD2-CB 4.33Å; F37-E48 HydrophobicContact CG-CB 3.73Å; F37-E48 HydrophobicContact CG-CG 4.01Å; F40-E48 HydrophobicContact CB-CG 4.37Å; F40-E48 HydrophobicContact CD1-CG 4.03Å; E48-L51 PolarHBondContact O-N 3.2Å; E48-A52 VanDerWaalsContact O-CB 3.29Å; E48-A52 WeakPolarHBondContact O-CB 3.13Å; E48-A52 PolarHBondContact O-N 3.19Å
49	R	71.1	Confident	76.9	Confident	129 Å²	129	54 Å²	54	49%	0.487	28%	0.284	S	S	.	.	H	α-helix	trans	-65.4	-36.7	177.3	-169.7	178.4	-64	117.4	8	112.7	M34 S47 R53 E378	M34-R49 HydrophobicContact CE-CB 4.26Å; M34-R49 HydrophobicContact CE-CG 4Å; M34-R49 HydrophobicContact SD-CB 4.09Å; M34-R49 HydrophobicContact SD-CG 4.43Å; S47-R49 PolarHBondContact O-N 2.81Å; R49-R53 WeakPolarHBondContact O-CB 3.03Å; R49-R53 PolarHBondContact O-N 2.84Å; R49-E378 IonicContact CZ-OE1 2.72Å; R49-E378 IonicContact NH1-OE1 3.96Å; R49-E378 PolarHBondContact NH1-OE1 2.88Å; R49-E378 IonicContact NH2-OE1 3.88Å
50	S	78.8	Confident	77.1	Confident	40 Å²	40	51.6 Å²	51.6	28%	0.28	28%	0.279	S	S	.	.	H	α-helix	trans	-66.6	-43.5	174.5	-169.9	0	0	0	0	111	S47 A54	S47-S50 WeakPolarHBondContact O-CA 3.31Å; S47-S50 VanDerWaalsContact O-CB 3.25Å; S47-S50 WeakPolarHBondContact O-CB 3.42Å; S47-S50 PolarHBondContact O-N 3.02Å; S47-S50 PolarHBondContact OG-N 2.71Å; S50-A54 VanDerWaalsContact O-CB 3.24Å; S50-A54 WeakPolarHBondContact O-CB 3.29Å; S50-A54 PolarHBondContact O-N 2.98Å
51	L	79.1	Confident	77.3	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-67.3	-48	180	-61	160.5	0	0	0	111.1	F37 F40 V46 S47 E48 R53 A54 G55 F56 V65 W77 A83	F37-L51 HydrophobicContact CD1-CD1 4.5Å; F37-L51 HydrophobicContact CE1-CB 3.77Å; F37-L51 HydrophobicContact CE1-CD1 3.78Å; F37-L51 HydrophobicContact CE1-CG 4.4Å; F37-L51 HydrophobicContact CE2-CB 4.48Å; F37-L51 HydrophobicContact CZ-CB 3.56Å; F37-L51 HydrophobicContact CZ-CD1 4.46Å; F40-L51 HydrophobicContact CE1-CD1 3.7Å; F40-L51 HydrophobicContact CE2-CD1 4.43Å; F40-L51 HydrophobicContact CZ-CD1 3.55Å; V46-L51 HydrophobicContact CG1-CD1 4.37Å; V46-L51 HydrophobicContact CG1-CD2 4.04Å; V46-L51 HydrophobicContact CG1-CG 4.01Å; S47-L51 WeakPolarHBondContact O-CG 3.13Å; S47-L51 PolarHBondContact O-N 3.09Å; E48-L51 PolarHBondContact O-N 3.2Å; L51-R53 PolarHBondContact O-N 2.92Å; L51-A54 PolarHBondContact O-N 2.73Å; L51-G55 PolarHBondContact O-N 2.99Å; L51-F56 WeakPolarHBondContact O-CB 3.39Å; L51-F56 PolarHBondContact O-N 3.4Å; L51-V65 HydrophobicContact CD1-CG1 4.21Å; L51-V65 HydrophobicContact CD2-CG1 4.43Å; L51-V65 HydrophobicContact CD2-CG2 4.15Å; L51-W77 HydrophobicContact CD2-CD2 4.18Å; L51-W77 HydrophobicContact CD2-CE3 4.47Å; L51-W77 HydrophobicContact CD2-CH2 3.68Å; L51-W77 HydrophobicContact CD2-CZ2 3.32Å; L51-W77 HydrophobicContact CD2-CZ3 4.24Å; L51-A83 HydrophobicContact CD2-CB 3.88Å
52	A	75.4	Confident	77.6	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-58.1	-46.1	174.8	0	0	0	0	0	112.5	E30 R33 M34 F37 E48 A54 G55 F56	E30-A52 HydrophobicContact CG-CB 4.26Å; R33-A52 HydrophobicContact CB-CB 4.21Å; R33-A52 VanDerWaalsContact CZ-O 3.31Å; R33-A52 PolarHBondContact NE-O 3.16Å; R33-A52 PolarHBondContact NH2-O 2.86Å; M34-A52 HydrophobicContact CE-CB 3.59Å; M34-A52 HydrophobicContact SD-CB 3.96Å; F37-A52 HydrophobicContact CE2-CB 4.11Å; E48-A52 VanDerWaalsContact O-CB 3.29Å; E48-A52 WeakPolarHBondContact O-CB 3.13Å; E48-A52 PolarHBondContact O-N 3.19Å; A52-A54 VanDerWaalsContact C-N 3.34Å; A52-A54 PolarHBondContact O-N 2.87Å; A52-G55 PolarHBondContact O-N 3.36Å; A52-G55 VanDerWaalsContact O-N 3.11Å; A52-F56 WeakPolarHBondContact CA-O 3.46Å
53	R	76.4	Confident	78.4	Confident	168 Å²	168	54.3 Å²	54.3	63%	0.634	28%	0.283	S	S	*	.	H	α-helix	trans	-69.8	-27.3	177.5	-173.6	175.1	172.6	-171.8	-1.3	113.4	R49 L51 G55 M84 F96	R49-R53 WeakPolarHBondContact O-CB 3.03Å; R49-R53 PolarHBondContact O-N 2.84Å; L51-R53 PolarHBondContact O-N 2.92Å; R53-G55 PolarHBondContact O-N 2.75Å; R53-M84 WeakPolarHBondContact O-CE 3.34Å; R53-F96 WeakPolarHBondContact O-CZ 3.42Å
54	A	80.8	Confident	78.8	Confident	2 Å²	2	47.6 Å²	47.6	2%	0.017	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	5.6	171	0	0	0	0	0	113.7	S50 L51 A52 F56 A83 M84 H87 F96	S50-A54 VanDerWaalsContact O-CB 3.24Å; S50-A54 WeakPolarHBondContact O-CB 3.29Å; S50-A54 PolarHBondContact O-N 2.98Å; L51-A54 PolarHBondContact O-N 2.73Å; A52-A54 VanDerWaalsContact C-N 3.34Å; A52-A54 PolarHBondContact O-N 2.87Å; A54-F56 HydrophobicContact CB-CD2 3.79Å; A54-F56 HydrophobicContact CB-CE2 3.86Å; A54-A83 HydrophobicContact CB-CB 3.65Å; A54-M84 HydrophobicContact CB-CB 4.17Å; A54-H87 PolarHBondContact O-ND1 2.97Å; A54-F96 WeakPolarHBondContact O-CE1 3.49Å
55	G	81.1	Confident	79.3	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	89	14.6	175.3	0	0	0	0	0	114.5	L51 A52 R53 C67 F68	L51-G55 PolarHBondContact O-N 2.99Å; A52-G55 PolarHBondContact O-N 3.36Å; A52-G55 VanDerWaalsContact O-N 3.11Å; R53-G55 PolarHBondContact O-N 2.75Å; G55-C67 VanDerWaalsContact O-CA 3.27Å; G55-C67 WeakPolarHBondContact O-CA 3.41Å; G55-C67 PolarHBondContact O-SG 2.81Å; G55-F68 VanDerWaalsContact O-CD1 3.31Å; G55-F68 WeakPolarHBondContact O-CD1 3.31Å; G55-F68 PolarHBondContact O-N 2.7Å
56	F	84.3	Confident	79.9	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	150.6	179.6	-57.8	-90.7	0	0	0	113.3	R33 L51 A52 A54 V65 K66 C67 L72 L74 H87	R33-F56 WeakPolarHBondContact CD-O 3.28Å; L51-F56 WeakPolarHBondContact O-CB 3.39Å; L51-F56 PolarHBondContact O-N 3.4Å; A52-F56 WeakPolarHBondContact CA-O 3.46Å; A54-F56 HydrophobicContact CB-CD2 3.79Å; A54-F56 HydrophobicContact CB-CE2 3.86Å; F56-V65 HydrophobicContact CB-CB 3.88Å; F56-V65 HydrophobicContact CB-CG2 3.74Å; F56-V65 HydrophobicContact CD1-CB 4.41Å; F56-V65 HydrophobicContact CD1-CG2 3.67Å; F56-V65 HydrophobicContact CE1-CG2 4.44Å; F56-V65 HydrophobicContact CG-CB 4.41Å; F56-V65 HydrophobicContact CG-CG2 3.75Å; F56-K66 CarbonylContact C-O 3.18Å; F56-K66 VanDerWaalsContact CA-O 3.25Å; F56-K66 WeakPolarHBondContact CA-O 3.22Å; F56-C67 HydrophobicContact CD1-CB 3.97Å; F56-C67 HydrophobicContact CE1-CB 3.94Å; F56-L72 HydrophobicContact CE1-CD2 4.28Å; F56-L72 HydrophobicContact CE1-CG 4.44Å; F56-L72 HydrophobicContact CZ-CD2 4.21Å; F56-L74 HydrophobicContact CE1-CD1 3.8Å; F56-L74 HydrophobicContact CE1-CG 4.09Å; F56-L74 HydrophobicContact CE2-CD1 4.28Å; F56-L74 HydrophobicContact CZ-CD1 3.48Å; F56-L74 VanDerWaalsContact CZ-CD1 3.48Å; F56-L74 HydrophobicContact CZ-CG 4.27Å; F56-H87 HydrophobicContact CE2-CB 3.75Å; F56-H87 AromaticContact CE2-CG 3.86Å; F56-H87 AromaticContact CE2-ND1 3.65Å; F56-H87 HydrophobicContact CZ-CB 3.64Å; F56-H87 AromaticContact CZ-CG 3.58Å; F56-H87 AromaticContact CZ-ND1 3.66Å
57	Y	82.6	Confident	80.6	Confident	52 Å²	52	46.4 Å²	46.4	20%	0.204	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	152.8	167.8	68.6	-85.9	0	0	0	109.4	L27 V65 K66 F68	L27-Y57 HydrophobicContact CD1-CD1 3.87Å; L27-Y57 HydrophobicContact CD1-CD2 3.98Å; L27-Y57 HydrophobicContact CD1-CE1 3.86Å; L27-Y57 HydrophobicContact CD1-CE2 3.95Å; L27-Y57 HydrophobicContact CD1-CG 3.94Å; L27-Y57 HydrophobicContact CD2-CG 4.27Å; Y57-V65 CarbonylContact O-C 3.59Å; Y57-V65 WeakPolarHBondContact O-CA 3.47Å; Y57-K66 HydrophobicContact CD1-CB 4.44Å; Y57-K66 WeakPolarHBondContact CD1-O 3.19Å; Y57-K66 HydrophobicContact CE1-CB 3.92Å; Y57-K66 HydrophobicContact CE1-CD 4.45Å; Y57-K66 HydrophobicContact CE1-CG 3.96Å; Y57-K66 WeakPolarHBondContact CE1-O 3.24Å; Y57-K66 HydrophobicContact CE2-CB 4.46Å; Y57-K66 PolarHBondContact N-O 3.36Å; Y57-K66 PolarHBondContact O-N 3.01Å; Y57-K66 WeakPolarHBondContact OH-CD 3.37Å; Y57-F68 HydrophobicContact CD1-CB 4.35Å
58	Y	83.3	Confident	80.8	Confident	21 Å²	21	47 Å²	47	8%	0.082	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	138.1	179.5	177.9	-139.5	0	0	0	111.1	T36 T39 F40 G60 V61 K62 T64	T36-Y58 WeakPolarHBondContact O-CD1 3.2Å; T36-Y58 PolarHBondContact OG1-N 3.04Å; T39-Y58 VanDerWaalsContact O-CE1 3.31Å; T39-Y58 WeakPolarHBondContact O-CE1 3.43Å; F40-Y58 HydrophobicContact CB-CD1 4.44Å; F40-Y58 HydrophobicContact CD2-CD1 4.25Å; F40-Y58 AromaticContact CD2-CD2 3.51Å; F40-Y58 HydrophobicContact CD2-CD2 3.51Å; F40-Y58 HydrophobicContact CD2-CE1 4.43Å; F40-Y58 AromaticContact CD2-CE2 3.77Å; F40-Y58 HydrophobicContact CD2-CE2 3.77Å; F40-Y58 AromaticContact CD2-CG 3.8Å; F40-Y58 HydrophobicContact CD2-CG 3.8Å; F40-Y58 AromaticContact CE2-CD2 3.9Å; F40-Y58 HydrophobicContact CE2-CD2 3.9Å; F40-Y58 HydrophobicContact CE2-CE2 4.22Å; Y58-G60 VanDerWaalsContact CE1-CA 3.47Å; Y58-G60 VanDerWaalsContact CZ-C 3.46Å; Y58-G60 VanDerWaalsContact CZ-CA 3.47Å; Y58-G60 VanDerWaalsContact OH-C 3.29Å; Y58-V61 PolarHBondContact OH-N 3.43Å; Y58-K62 WeakPolarHBondContact CE2-O 3.35Å; Y58-K62 PolarHBondContact OH-O 2.9Å; Y58-T64 VanDerWaalsContact CD2-O 3.27Å; Y58-T64 WeakPolarHBondContact CD2-O 3.36Å
59	T	80.1	Confident	80.9	Confident	46 Å²	46	46 Å²	46	28%	0.282	23%	0.229	S	C	.	.			trans	-91.7	8.9	179.9	71.7	0	0	0	0	114.3	V61 T64 K66 M73	T59-V61 VanDerWaalsContact C-N 3.25Å; T59-V61 PolarHBondContact O-N 2.94Å; T59-T64 PolarHBondContact N-O 2.62Å; T59-T64 VanDerWaalsContact N-O 3.17Å; T59-T64 PolarHBondContact OG1-O 2.94Å; T59-T64 VanDerWaalsContact OG1-O 3.13Å; T59-K66 HydrophobicContact CG2-CB 3.55Å; T59-M73 HydrophobicContact CG2-CE 4.25Å
60	G	74.7	Confident	81.3	Confident	50 Å²	50	41.4 Å²	41.4	52%	0.515	22%	0.217	S	C	.	.	S	Bend	trans	73.5	10.5	-178.7	0	0	0	0	0	114.9	Y58	Y58-G60 VanDerWaalsContact CE1-CA 3.47Å; Y58-G60 VanDerWaalsContact CZ-C 3.46Å; Y58-G60 VanDerWaalsContact CZ-CA 3.47Å; Y58-G60 VanDerWaalsContact OH-C 3.29Å
61	V	78.4	Confident	81.4	Confident	86 Å²	86	41 Å²	41	52%	0.521	22%	0.219	S	C	.	.	S	Bend	trans	-135.4	121.6	-176.1	-178.9	0	0	0	0	110.2	Y58 T59 T64	Y58-V61 PolarHBondContact OH-N 3.43Å; T59-V61 VanDerWaalsContact C-N 3.25Å; T59-V61 PolarHBondContact O-N 2.94Å; V61-T64 VanDerWaalsContact O-CB 3.31Å; V61-T64 WeakPolarHBondContact O-CB 3.32Å; V61-T64 PolarHBondContact O-N 2.97Å; V61-T64 VanDerWaalsContact O-N 3.09Å; V61-T64 PolarHBondContact O-OG1 2.9Å
62	K	83.6	Confident	81.7	Confident	149 Å²	149	42.5 Å²	42.5	65%	0.648	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	-134.6	179.3	-61.5	-179.3	176.3	-178.5	0	111.8	P41 Y58	P41-K62 WeakPolarHBondContact CD-O 3.27Å; P41-K62 WeakPolarHBondContact CG-O 3.11Å; Y58-K62 WeakPolarHBondContact CE2-O 3.35Å; Y58-K62 PolarHBondContact OH-O 2.9Å
63	D	85.1	Confident	82.4	Confident	22 Å²	22	47.3 Å²	47.3	12%	0.118	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	15.1	171.9	68	-36.5	0	0	0	112.1	F40 V44 V65 N76 W77	F40-D63 HydrophobicContact CE2-CB 4.28Å; F40-D63 HydrophobicContact CZ-CB 4.2Å; V44-D63 HydrophobicContact CB-CB 4.48Å; V44-D63 HydrophobicContact CG1-CB 4.19Å; V44-D63 HydrophobicContact CG2-CB 3.39Å; D63-V65 PolarHBondContact O-N 3.39Å; D63-N76 PolarHBondContact OD1-N 3.09Å; D63-N76 VanDerWaalsContact OD2-CA 3.23Å; D63-N76 WeakPolarHBondContact OD2-CA 3.27Å; D63-N76 PolarHBondContact OD2-N 3.38Å; D63-W77 PolarHBondContact O-NE1 3.19Å; D63-W77 PolarHBondContact OD2-N 3.1Å
64	T	84.4	Confident	82.6	Confident	17 Å²	17	40.3 Å²	40.3	10%	0.104	23%	0.225	C	C	.	.			trans	-74.6	122	-175.3	-48.3	0	0	0	0	111.1	Y58 T59 V61 M73 L74 D75	Y58-T64 VanDerWaalsContact CD2-O 3.27Å; Y58-T64 WeakPolarHBondContact CD2-O 3.36Å; T59-T64 PolarHBondContact N-O 2.62Å; T59-T64 VanDerWaalsContact N-O 3.17Å; T59-T64 PolarHBondContact OG1-O 2.94Å; T59-T64 VanDerWaalsContact OG1-O 3.13Å; V61-T64 VanDerWaalsContact O-CB 3.31Å; V61-T64 WeakPolarHBondContact O-CB 3.32Å; V61-T64 PolarHBondContact O-N 2.97Å; V61-T64 VanDerWaalsContact O-N 3.09Å; V61-T64 PolarHBondContact O-OG1 2.9Å; T64-M73 HydrophobicContact CG2-CE 3.53Å; T64-L74 WeakPolarHBondContact CA-O 3.5Å; T64-D75 HydrophobicContact CG2-CB 4.25Å
65	V	86.4	Confident	82.8	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	154.8	177	-55.7	0	0	0	0	110.6	F37 F40 L51 F56 Y57 D63 M73 L74 W77	F37-V65 HydrophobicContact CE1-CG1 3.63Å; F37-V65 HydrophobicContact CZ-CG1 4.03Å; F40-V65 HydrophobicContact CE2-CG1 3.85Å; F40-V65 HydrophobicContact CZ-CG1 4.25Å; L51-V65 HydrophobicContact CD1-CG1 4.21Å; L51-V65 HydrophobicContact CD2-CG1 4.43Å; L51-V65 HydrophobicContact CD2-CG2 4.15Å; F56-V65 HydrophobicContact CB-CB 3.88Å; F56-V65 HydrophobicContact CB-CG2 3.74Å; F56-V65 HydrophobicContact CD1-CB 4.41Å; F56-V65 HydrophobicContact CD1-CG2 3.67Å; F56-V65 HydrophobicContact CE1-CG2 4.44Å; F56-V65 HydrophobicContact CG-CB 4.41Å; F56-V65 HydrophobicContact CG-CG2 3.75Å; Y57-V65 CarbonylContact O-C 3.59Å; Y57-V65 WeakPolarHBondContact O-CA 3.47Å; D63-V65 PolarHBondContact O-N 3.39Å; V65-M73 CarbonylContact O-C 3.53Å; V65-M73 VanDerWaalsContact O-CA 3.23Å; V65-M73 WeakPolarHBondContact O-CA 3.5Å; V65-L74 HydrophobicContact CG2-CB 4.3Å; V65-L74 PolarHBondContact N-O 3.22Å; V65-L74 PolarHBondContact O-N 3.01Å; V65-W77 HydrophobicContact CG2-CZ2 3.72Å
66	K	84	Confident	82.9	Confident	70 Å²	70	48.8 Å²	48.8	30%	0.304	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.1	-179.5	-177.6	165.2	173.8	-178.8	0	111.7	F56 Y57 T59 G71 L72 M73	F56-K66 CarbonylContact C-O 3.18Å; F56-K66 VanDerWaalsContact CA-O 3.25Å; F56-K66 WeakPolarHBondContact CA-O 3.22Å; Y57-K66 HydrophobicContact CD1-CB 4.44Å; Y57-K66 WeakPolarHBondContact CD1-O 3.19Å; Y57-K66 HydrophobicContact CE1-CB 3.92Å; Y57-K66 HydrophobicContact CE1-CD 4.45Å; Y57-K66 HydrophobicContact CE1-CG 3.96Å; Y57-K66 WeakPolarHBondContact CE1-O 3.24Å; Y57-K66 HydrophobicContact CE2-CB 4.46Å; Y57-K66 PolarHBondContact N-O 3.36Å; Y57-K66 PolarHBondContact O-N 3.01Å; Y57-K66 WeakPolarHBondContact OH-CD 3.37Å; T59-K66 HydrophobicContact CG2-CB 3.55Å; K66-G71 WeakPolarHBondContact CE-O 3.45Å; K66-L72 CarbonylContact C-O 3.37Å; K66-L72 WeakPolarHBondContact CA-O 3.34Å; K66-M73 HydrophobicContact CB-CG 3.83Å; K66-M73 HydrophobicContact CD-CG 3.85Å; K66-M73 HydrophobicContact CD-SD 4.02Å; K66-M73 HydrophobicContact CG-CG 3.75Å
67	C	88	Confident	83	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.014	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	135.4	176.2	-177.6	0	0	0	0	111.3	G55 F56 C69 C70 G71 L72 H87	G55-C67 VanDerWaalsContact O-CA 3.27Å; G55-C67 WeakPolarHBondContact O-CA 3.41Å; G55-C67 PolarHBondContact O-SG 2.81Å; F56-C67 HydrophobicContact CD1-CB 3.97Å; F56-C67 HydrophobicContact CE1-CB 3.94Å; C67-C69 VanDerWaalsContact C-N 3.27Å; C67-C69 PolarHBondContact O-N 3.14Å; C67-C69 PolarHBondContact SG-N 3.33Å; C67-C70 WeakPolarHBondContact CB-SG 3.32Å; C67-G71 VanDerWaalsContact O-CA 3.29Å; C67-G71 WeakPolarHBondContact O-CA 3.5Å; C67-G71 PolarHBondContact O-N 2.98Å; C67-L72 HydrophobicContact CB-CB 4.33Å; C67-L72 PolarHBondContact N-O 3.37Å; C67-H87 PolarHBondContact SG-CE1 2.81Å
68	F	83.4	Confident	82.8	Confident	65 Å²	65	51.9 Å²	51.9	29%	0.285	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-28.2	175.8	83.4	-91.7	0	0	0	113.1	L27 G55 Y57 F96	L27-F68 HydrophobicContact CB-CB 3.84Å; L27-F68 WeakPolarHBondContact O-CB 3.23Å; L27-F68 VanDerWaalsContact O-CG 3.3Å; L27-F68 WeakPolarHBondContact O-CG 3.27Å; G55-F68 VanDerWaalsContact O-CD1 3.31Å; G55-F68 WeakPolarHBondContact O-CD1 3.31Å; G55-F68 PolarHBondContact O-N 2.7Å; Y57-F68 HydrophobicContact CD1-CB 4.35Å; F68-F96 AromaticContact CE1-CD2 3.83Å; F68-F96 HydrophobicContact CE1-CD2 3.83Å; F68-F96 HydrophobicContact CE1-CE2 4.23Å; F68-F96 HydrophobicContact CE1-CG 4.28Å; F68-F96 AromaticContact CZ-CD2 3.93Å; F68-F96 HydrophobicContact CZ-CD2 3.93Å; F68-F96 HydrophobicContact CZ-CG 4.48Å
69	C	78.1	Confident	82.3	Confident	47 Å²	47	56 Å²	56	32%	0.318	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-61.9	-171.8	174.9	0	0	0	0	112.4	C67 F96	C67-C69 VanDerWaalsContact C-N 3.27Å; C67-C69 PolarHBondContact O-N 3.14Å; C67-C69 PolarHBondContact SG-N 3.33Å; C69-F96 HydrophobicContact CB-CB 3.97Å
70	C	78.8	Confident	81.9	Confident	33 Å²	33	57.7 Å²	57.7	22%	0.223	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-7.4	-178.8	63.4	0	0	0	0	114.5	C67 L72 H87 Y91 C94	C67-C70 WeakPolarHBondContact CB-SG 3.32Å; C70-L72 PolarHBondContact O-N 2.95Å; C70-L72 WeakPolarHBondContact SG-CB 3.34Å; C70-H87 PolarHBondContact SG-NE2 3.46Å; C70-Y91 HydrophobicContact CB-CD1 3.57Å; C70-Y91 HydrophobicContact CB-CE1 3.73Å; C70-Y91 HydrophobicContact CB-CG 4.31Å; C70-C94 HydrophobicContact CB-CB 3.73Å
71	G	82.1	Confident	81.9	Confident	31 Å²	31	57 Å²	57	32%	0.32	33%	0.326	S	S	.	.			trans	71.4	1	-176.9	0	0	0	0	0	115.9	K66 C67 M73	K66-G71 WeakPolarHBondContact CE-O 3.45Å; C67-G71 VanDerWaalsContact O-CA 3.29Å; C67-G71 WeakPolarHBondContact O-CA 3.5Å; C67-G71 PolarHBondContact O-N 2.98Å; G71-M73 PolarHBondContact O-N 2.79Å
72	L	84.4	Confident	82	Confident	31 Å²	31	55.8 Å²	55.8	16%	0.162	32%	0.317	C	S	.	.			trans	-51.3	130.5	175.8	176.7	69.5	0	0	0	110.9	F56 K66 C67 C70 L74 L90	F56-L72 HydrophobicContact CE1-CD2 4.28Å; F56-L72 HydrophobicContact CE1-CG 4.44Å; F56-L72 HydrophobicContact CZ-CD2 4.21Å; K66-L72 CarbonylContact C-O 3.37Å; K66-L72 WeakPolarHBondContact CA-O 3.34Å; C67-L72 HydrophobicContact CB-CB 4.33Å; C67-L72 PolarHBondContact N-O 3.37Å; C70-L72 PolarHBondContact O-N 2.95Å; C70-L72 WeakPolarHBondContact SG-CB 3.34Å; L72-L74 HydrophobicContact CD1-CD2 4.35Å; L72-L74 HydrophobicContact CD2-CD1 4.19Å; L72-L74 HydrophobicContact CD2-CD2 4.28Å; L72-L74 HydrophobicContact CD2-CG 4.22Å; L72-L74 HydrophobicContact CG-CD2 4.26Å; L72-L74 HydrophobicContact CG-CG 4.2Å; L72-L90 HydrophobicContact CD2-CB 4.25Å
73	M	89.8	Confident	81.9	Confident	102 Å²	102	48.7 Å²	48.7	50%	0.502	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.6	174.8	-68.8	178.6	62.7	0	0	110.9	T59 T64 V65 K66 G71	T59-M73 HydrophobicContact CG2-CE 4.25Å; T64-M73 HydrophobicContact CG2-CE 3.53Å; V65-M73 CarbonylContact O-C 3.53Å; V65-M73 VanDerWaalsContact O-CA 3.23Å; V65-M73 WeakPolarHBondContact O-CA 3.5Å; K66-M73 HydrophobicContact CB-CG 3.83Å; K66-M73 HydrophobicContact CD-CG 3.85Å; K66-M73 HydrophobicContact CD-SD 4.02Å; K66-M73 HydrophobicContact CG-CG 3.75Å; G71-M73 PolarHBondContact O-N 2.79Å
74	L	80.8	Confident	81.6	Confident	21 Å²	21	50 Å²	50	11%	0.11	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	142.2	-179.3	-62.3	178.9	0	0	0	110.8	F56 T64 V65 L72 W77 K86 L90	F56-L74 HydrophobicContact CE1-CD1 3.8Å; F56-L74 HydrophobicContact CE1-CG 4.09Å; F56-L74 HydrophobicContact CE2-CD1 4.28Å; F56-L74 HydrophobicContact CZ-CD1 3.48Å; F56-L74 VanDerWaalsContact CZ-CD1 3.48Å; F56-L74 HydrophobicContact CZ-CG 4.27Å; T64-L74 WeakPolarHBondContact CA-O 3.5Å; V65-L74 HydrophobicContact CG2-CB 4.3Å; V65-L74 PolarHBondContact N-O 3.22Å; V65-L74 PolarHBondContact O-N 3.01Å; L72-L74 HydrophobicContact CD1-CD2 4.35Å; L72-L74 HydrophobicContact CD2-CD1 4.19Å; L72-L74 HydrophobicContact CD2-CD2 4.28Å; L72-L74 HydrophobicContact CD2-CG 4.22Å; L72-L74 HydrophobicContact CG-CD2 4.26Å; L72-L74 HydrophobicContact CG-CG 4.2Å; L74-W77 HydrophobicContact CB-CH2 4.13Å; L74-W77 HydrophobicContact CB-CZ2 3.56Å; L74-W77 HydrophobicContact CD1-CH2 3.68Å; L74-W77 HydrophobicContact CD1-CZ2 3.97Å; L74-W77 HydrophobicContact CG-CZ2 4.43Å; L74-K86 HydrophobicContact CD1-CB 4.29Å; L74-L90 HydrophobicContact CD2-CD1 3.47Å; L74-L90 VanDerWaalsContact CD2-CD1 3.47Å
75	D	86.6	Confident	81.4	Confident	73 Å²	73	54.3 Å²	54.3	39%	0.39	31%	0.311	S	S	.	.			trans	-150.4	-175	178.9	68.4	-2.9	0	0	0	111.2	T64 W77	T64-D75 HydrophobicContact CG2-CB 4.25Å; D75-W77 PolarHBondContact O-N 2.78Å
76	N	82.6	Confident	81.1	Confident	106 Å²	106	57.1 Å²	57.1	57%	0.567	32%	0.323	S	S	*	.			trans	57.3	44.2	-179.3	-58.7	-83.1	0	0	0	114.1	D63 Q78	D63-N76 PolarHBondContact OD1-N 3.09Å; D63-N76 VanDerWaalsContact OD2-CA 3.23Å; D63-N76 WeakPolarHBondContact OD2-CA 3.27Å; D63-N76 PolarHBondContact OD2-N 3.38Å; N76-Q78 PolarHBondContact O-NE2 3.32Å
77	W	84.9	Confident	81.3	Confident	7 Å²	7	53.8 Å²	53.8	3%	0.027	31%	0.309	C	S	.	.			trans	-63.7	143.5	-175	-62.1	93.5	0	0	0	113.7	V44 P45 V46 L51 D63 V65 L74 D75 D81 A83 K86	V44-W77 HydrophobicContact CG1-CB 3.92Å; V44-W77 HydrophobicContact CG1-CG 4.28Å; P45-W77 WeakPolarHBondContact CD-O 2.97Å; P45-W77 VanDerWaalsContact CG-O 3.23Å; P45-W77 WeakPolarHBondContact CG-O 3.25Å; V46-W77 HydrophobicContact CB-CB 4.38Å; V46-W77 HydrophobicContact CB-CE3 4.49Å; V46-W77 HydrophobicContact CG1-CE3 4.48Å; V46-W77 HydrophobicContact CG2-CB 3.91Å; V46-W77 HydrophobicContact CG2-CD2 4.37Å; V46-W77 HydrophobicContact CG2-CE3 3.99Å; V46-W77 HydrophobicContact CG2-CG 4.37Å; L51-W77 HydrophobicContact CD2-CD2 4.18Å; L51-W77 HydrophobicContact CD2-CE3 4.47Å; L51-W77 HydrophobicContact CD2-CH2 3.68Å; L51-W77 HydrophobicContact CD2-CZ2 3.32Å; L51-W77 HydrophobicContact CD2-CZ3 4.24Å; D63-W77 PolarHBondContact O-NE1 3.19Å; D63-W77 PolarHBondContact OD2-N 3.1Å; V65-W77 HydrophobicContact CG2-CZ2 3.72Å; L74-W77 HydrophobicContact CB-CH2 4.13Å; L74-W77 HydrophobicContact CB-CZ2 3.56Å; L74-W77 HydrophobicContact CD1-CH2 3.68Å; L74-W77 HydrophobicContact CD1-CZ2 3.97Å; L74-W77 HydrophobicContact CG-CZ2 4.43Å; D75-W77 PolarHBondContact O-N 2.78Å; W77-D81 HydrophobicContact CE3-CB 3.89Å; W77-D81 HydrophobicContact CZ3-CB 4.36Å; W77-A83 HydrophobicContact CH2-CB 3.82Å; W77-A83 HydrophobicContact CZ3-CB 3.94Å; W77-K86 HydrophobicContact CE3-CD 4.32Å; W77-K86 HydrophobicContact CZ3-CD 3.82Å
78	Q	79.6	Confident	81.1	Confident	111 Å²	111	58.4 Å²	58.4	52%	0.519	33%	0.328	S	S	.	.			trans	-118.1	154.3	-174.5	-58.3	-56.5	-52.2	0	0	112.5	P45 N76 G80 D81	P45-Q78 VanDerWaalsContact CG-C 3.43Å; N76-Q78 PolarHBondContact O-NE2 3.32Å; Q78-G80 PolarHBondContact O-N 3.07Å; Q78-D81 PolarHBondContact N-OD2 3.29Å; Q78-D81 VanDerWaalsContact O-CB 3.3Å; Q78-D81 WeakPolarHBondContact O-CB 3.39Å; Q78-D81 PolarHBondContact O-N 3.16Å
79	P	71.9	Confident	81.1	Confident	108 Å²	108	62.1 Å²	62.1	70%	0.701	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	121.4	179.1	-22.3	33.6	0	0	0	112.7	P45	P45-P79 HydrophobicContact CB-CB 4.22Å; P45-P79 HydrophobicContact CB-CG 3.83Å; P45-P79 HydrophobicContact CG-CG 4.12Å
80	G	72.5	Confident	81	Confident	80 Å²	80	64.7 Å²	64.7	83%	0.825	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.1	-0.1	-177.2	0	0	0	0	0	115.1	Q78 N82	Q78-G80 PolarHBondContact O-N 3.07Å; G80-N82 PolarHBondContact O-N 3.42Å
81	D	74.8	Confident	80.8	Confident	36 Å²	36	68 Å²	68	19%	0.193	37%	0.365	C	S	.	.			trans	-62.2	127.5	175.1	-87.2	-24.3	0	0	0	112.9	V46 W77 Q78 K86	V46-D81 HydrophobicContact CG2-CB 3.7Å; W77-D81 HydrophobicContact CE3-CB 3.89Å; W77-D81 HydrophobicContact CZ3-CB 4.36Å; Q78-D81 PolarHBondContact N-OD2 3.29Å; Q78-D81 VanDerWaalsContact O-CB 3.3Å; Q78-D81 WeakPolarHBondContact O-CB 3.39Å; Q78-D81 PolarHBondContact O-N 3.16Å; D81-K86 VanDerWaalsContact CG-CE 3.47Å; D81-K86 WeakPolarHBondContact OD1-CE 3.46Å; D81-K86 IonicContact OD1-NZ 2.68Å; D81-K86 PolarHBondContact OD1-NZ 3.06Å; D81-K86 IonicContact OD2-NZ 3.31Å; D81-K86 PolarHBondContact OD2-NZ 2.92Å
82	N	79.5	Confident	80.7	Confident	60 Å²	60	70 Å²	70	32%	0.321	37%	0.372	S	S	.	.			trans	-95.3	108.9	170.3	-177.8	-21.1	0	0	0	110.3	G80 M84 E85 K86	G80-N82 PolarHBondContact O-N 3.42Å; N82-M84 VanDerWaalsContact C-N 3.3Å; N82-M84 PolarHBondContact O-N 2.9Å; N82-M84 WeakPolarHBondContact OD1-CB 3.43Å; N82-M84 PolarHBondContact OD1-N 3Å; N82-E85 HydrophobicContact CB-CB 4Å; N82-E85 HydrophobicContact CB-CG 4.18Å; N82-E85 WeakPolarHBondContact ND2-CG 3.4Å; N82-E85 PolarHBondContact ND2-OE1 3.5Å; N82-E85 PolarHBondContact O-N 3.43Å; N82-E85 PolarHBondContact OD1-N 2.6Å; N82-K86 PolarHBondContact O-N 3.04Å
83	A	81.8	Confident	80.4	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-60.1	-35.5	-178.5	0	0	0	0	0	113.6	L51 A54 W77 H87	L51-A83 HydrophobicContact CD2-CB 3.88Å; A54-A83 HydrophobicContact CB-CB 3.65Å; W77-A83 HydrophobicContact CH2-CB 3.82Å; W77-A83 HydrophobicContact CZ3-CB 3.94Å; A83-H87 VanDerWaalsContact O-CB 3.29Å; A83-H87 WeakPolarHBondContact O-CB 3.19Å; A83-H87 PolarHBondContact O-N 3.41Å
84	M	80	Confident	80.1	Confident	49 Å²	49	66.9 Å²	66.9	24%	0.241	36%	0.363	C	S	.	.	H	α-helix	trans	-69.9	-38.4	177.5	-173.9	69.2	80.2	0	0	111.3	R53 A54 N82 K88 F96 I97	R53-M84 WeakPolarHBondContact O-CE 3.34Å; A54-M84 HydrophobicContact CB-CB 4.17Å; N82-M84 VanDerWaalsContact C-N 3.3Å; N82-M84 PolarHBondContact O-N 2.9Å; N82-M84 WeakPolarHBondContact OD1-CB 3.43Å; N82-M84 PolarHBondContact OD1-N 3Å; M84-K88 VanDerWaalsContact O-CB 3.3Å; M84-K88 WeakPolarHBondContact O-CB 3.26Å; M84-K88 PolarHBondContact O-N 2.89Å; M84-F96 HydrophobicContact CE-CE1 4.03Å; M84-F96 HydrophobicContact CE-CZ 4.24Å; M84-F96 HydrophobicContact SD-CE1 4.1Å; M84-I97 HydrophobicContact SD-CD1 3.55Å; M84-I97 VanDerWaalsContact SD-CD1 3.55Å
85	E	79.7	Confident	79.8	Confident	108 Å²	108	70.7 Å²	70.7	51%	0.505	38%	0.384	S	S	.	.	H	α-helix	trans	-72.9	-41.6	177.6	-72.4	171.5	-172.2	0	0	112	N82 H87 K88 Q89	N82-E85 HydrophobicContact CB-CB 4Å; N82-E85 HydrophobicContact CB-CG 4.18Å; N82-E85 WeakPolarHBondContact ND2-CG 3.4Å; N82-E85 PolarHBondContact ND2-OE1 3.5Å; N82-E85 PolarHBondContact O-N 3.43Å; N82-E85 PolarHBondContact OD1-N 2.6Å; E85-H87 PolarHBondContact O-N 2.89Å; E85-K88 PolarHBondContact O-N 3.39Å; E85-Q89 WeakPolarHBondContact O-CB 3.3Å; E85-Q89 VanDerWaalsContact O-CG 3.22Å; E85-Q89 WeakPolarHBondContact O-CG 3.41Å; E85-Q89 PolarHBondContact O-N 3.42Å
86	K	80.3	Confident	79.6	Confident	60 Å²	60	69.2 Å²	69.2	26%	0.261	37%	0.374	S	S	.	.	H	α-helix	trans	-60.2	-43.8	172.3	-80.6	-169.9	165.5	-177.9	0	111.8	L74 W77 D81 N82 Q89 L90	L74-K86 HydrophobicContact CD1-CB 4.29Å; W77-K86 HydrophobicContact CE3-CD 4.32Å; W77-K86 HydrophobicContact CZ3-CD 3.82Å; D81-K86 VanDerWaalsContact CG-CE 3.47Å; D81-K86 WeakPolarHBondContact OD1-CE 3.46Å; D81-K86 IonicContact OD1-NZ 2.68Å; D81-K86 PolarHBondContact OD1-NZ 3.06Å; D81-K86 IonicContact OD2-NZ 3.31Å; D81-K86 PolarHBondContact OD2-NZ 2.92Å; N82-K86 PolarHBondContact O-N 3.04Å; K86-Q89 PolarHBondContact O-N 2.77Å; K86-L90 WeakPolarHBondContact O-CB 3.26Å; K86-L90 WeakPolarHBondContact O-CG 3.21Å; K86-L90 PolarHBondContact O-N 3.19Å
87	H	87.6	Confident	79.4	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-58.7	-49.8	173.3	-168.4	174.7	0	0	0	111.4	A54 F56 C67 C70 A83 E85 Q89 L90 Y91 C94 I97	A54-H87 PolarHBondContact O-ND1 2.97Å; F56-H87 HydrophobicContact CE2-CB 3.75Å; F56-H87 AromaticContact CE2-CG 3.86Å; F56-H87 AromaticContact CE2-ND1 3.65Å; F56-H87 HydrophobicContact CZ-CB 3.64Å; F56-H87 AromaticContact CZ-CG 3.58Å; F56-H87 AromaticContact CZ-ND1 3.66Å; C67-H87 PolarHBondContact SG-CE1 2.81Å; C70-H87 PolarHBondContact SG-NE2 3.46Å; A83-H87 VanDerWaalsContact O-CB 3.29Å; A83-H87 WeakPolarHBondContact O-CB 3.19Å; A83-H87 PolarHBondContact O-N 3.41Å; E85-H87 PolarHBondContact O-N 2.89Å; H87-Q89 VanDerWaalsContact C-N 3.34Å; H87-Q89 PolarHBondContact O-N 3.35Å; H87-L90 PolarHBondContact O-N 3.21Å; H87-Y91 CarbonylContact O-C 3.38Å; H87-Y91 PolarHBondContact O-N 3.25Å; H87-C94 PolarHBondContact NE2-SG 2.64Å; H87-C94 VanDerWaalsContact NE2-SG 3.41Å; H87-I97 HydrophobicContact CB-CD1 4.12Å
88	K	84.4	Confident	78.9	Confident	98 Å²	98	68.6 Å²	68.6	43%	0.426	37%	0.368	S	S	.	.	H	α-helix	trans	-61.9	-36.7	178.3	179.5	-175.5	173.5	-175.1	0	113.3	M84 E85 P92 I97 L101	M84-K88 VanDerWaalsContact O-CB 3.3Å; M84-K88 WeakPolarHBondContact O-CB 3.26Å; M84-K88 PolarHBondContact O-N 2.89Å; E85-K88 PolarHBondContact O-N 3.39Å; K88-P92 WeakPolarHBondContact O-CA 3.4Å; K88-P92 VanDerWaalsContact O-CB 3.31Å; K88-P92 WeakPolarHBondContact O-CB 3.42Å; K88-P92 WeakPolarHBondContact O-CD 3.44Å; K88-I97 HydrophobicContact CB-CG2 4.05Å; K88-I97 HydrophobicContact CG-CG2 4.01Å; K88-L101 HydrophobicContact CD-CD1 4.43Å; K88-L101 HydrophobicContact CD-CD2 4.04Å
89	Q	82.6	Confident	78.3	Confident	143 Å²	143	68.6 Å²	68.6	67%	0.668	37%	0.372	S	S	*	.	H	α-helix	trans	-73.3	-40.3	179.2	-73.3	170.5	17.4	0	0	112.1	E85 K86 H87	E85-Q89 WeakPolarHBondContact O-CB 3.3Å; E85-Q89 VanDerWaalsContact O-CG 3.22Å; E85-Q89 WeakPolarHBondContact O-CG 3.41Å; E85-Q89 PolarHBondContact O-N 3.42Å; K86-Q89 PolarHBondContact O-N 2.77Å; H87-Q89 VanDerWaalsContact C-N 3.34Å; H87-Q89 PolarHBondContact O-N 3.35Å
90	L	76.1	Confident	78	Confident	102 Å²	102	66 Å²	66	53%	0.534	35%	0.354	S	S	.	.	H	α-helix	trans	-90	-26	-173.3	-63.6	170.5	0	0	0	113.6	L72 L74 K86 H87	L72-L90 HydrophobicContact CD2-CB 4.25Å; L74-L90 HydrophobicContact CD2-CD1 3.47Å; L74-L90 VanDerWaalsContact CD2-CD1 3.47Å; K86-L90 WeakPolarHBondContact O-CB 3.26Å; K86-L90 WeakPolarHBondContact O-CG 3.21Å; K86-L90 PolarHBondContact O-N 3.19Å; H87-L90 PolarHBondContact O-N 3.21Å
91	Y	75.3	Confident	77.1	Confident	102 Å²	102	65.1 Å²	65.1	40%	0.4	33%	0.33	S	S	.	.			trans	-146.4	65.2	177	-144.6	-88.3	0	0	0	112.8	C70 H87 S93 C94	C70-Y91 HydrophobicContact CB-CD1 3.57Å; C70-Y91 HydrophobicContact CB-CE1 3.73Å; C70-Y91 HydrophobicContact CB-CG 4.31Å; H87-Y91 CarbonylContact O-C 3.38Å; H87-Y91 PolarHBondContact O-N 3.25Å; Y91-S93 WeakPolarHBondContact CD1-OG 3.32Å; Y91-S93 WeakPolarHBondContact CE1-OG 3.11Å; Y91-S93 PolarHBondContact O-N 2.81Å; Y91-S93 VanDerWaalsContact O-N 3.09Å; Y91-C94 HydrophobicContact CD1-CB 4Å; Y91-C94 WeakPolarHBondContact O-CB 3.47Å; Y91-C94 PolarHBondContact O-N 3.42Å
92	P	79.5	Confident	75.8	Confident	72 Å²	72	67.1 Å²	67.1	47%	0.468	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.4	-179.8	25	-33.9	0	0	0	114.3	K88 C94	K88-P92 WeakPolarHBondContact O-CA 3.4Å; K88-P92 VanDerWaalsContact O-CB 3.31Å; K88-P92 WeakPolarHBondContact O-CB 3.42Å; K88-P92 WeakPolarHBondContact O-CD 3.44Å; P92-C94 VanDerWaalsContact C-N 3.29Å
93	S	78.7	Confident	74.1	Confident	66 Å²	66	69.1 Å²	69.1	46%	0.462	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	5.2	174.1	46.7	0	0	0	0	114.1	Y91 D95	Y91-S93 WeakPolarHBondContact CD1-OG 3.32Å; Y91-S93 WeakPolarHBondContact CE1-OG 3.11Å; Y91-S93 PolarHBondContact O-N 2.81Å; Y91-S93 VanDerWaalsContact O-N 3.09Å; S93-D95 PolarHBondContact O-N 3.33Å
94	C	83.4	Confident	72.2	Confident	2 Å²	2	74.5 Å²	74.5	1%	0.014	39%	0.39	C	S	.	.			trans	-70.4	125.4	172.8	179.8	0	0	0	0	110.7	C70 H87 Y91 P92 F96 I97 Q98	C70-C94 HydrophobicContact CB-CB 3.73Å; H87-C94 PolarHBondContact NE2-SG 2.64Å; H87-C94 VanDerWaalsContact NE2-SG 3.41Å; Y91-C94 HydrophobicContact CD1-CB 4Å; Y91-C94 WeakPolarHBondContact O-CB 3.47Å; Y91-C94 PolarHBondContact O-N 3.42Å; P92-C94 VanDerWaalsContact C-N 3.29Å; C94-F96 PolarHBondContact O-N 2.83Å; C94-I97 HydrophobicContact CB-CB 4.15Å; C94-I97 HydrophobicContact CB-CG1 3.96Å; C94-I97 WeakPolarHBondContact O-CA 3.21Å; C94-I97 WeakPolarHBondContact O-CB 3.37Å; C94-I97 PolarHBondContact O-N 2.94Å; C94-Q98 PolarHBondContact O-N 2.8Å
95	D	74.1	Confident	70.1	Confident	102 Å²	102	78.8 Å²	78.8	55%	0.545	41%	0.414	S	S	.	.	H	α-helix	trans	-56.1	-37.3	-179.7	-57.5	-44.1	0	0	0	112.3	S93 I97 Q98 N99	S93-D95 PolarHBondContact O-N 3.33Å; D95-I97 VanDerWaalsContact C-N 3.35Å; D95-I97 PolarHBondContact O-N 3.31Å; D95-Q98 PolarHBondContact O-N 3.26Å; D95-N99 WeakPolarHBondContact O-CB 3.41Å; D95-N99 PolarHBondContact O-N 3.24Å; D95-N99 PolarHBondContact O-ND2 2.86Å
96	F	81.3	Confident	68.2	Low	42 Å²	42	81 Å²	81	18%	0.184	43%	0.428	C	S	.	.	H	α-helix	trans	-57.6	-44.8	173	173.8	-96.8	0	0	0	112.1	R53 A54 F68 C69 M84 C94 V100	R53-F96 WeakPolarHBondContact O-CZ 3.42Å; A54-F96 WeakPolarHBondContact O-CE1 3.49Å; F68-F96 AromaticContact CE1-CD2 3.83Å; F68-F96 HydrophobicContact CE1-CD2 3.83Å; F68-F96 HydrophobicContact CE1-CE2 4.23Å; F68-F96 HydrophobicContact CE1-CG 4.28Å; F68-F96 AromaticContact CZ-CD2 3.93Å; F68-F96 HydrophobicContact CZ-CD2 3.93Å; F68-F96 HydrophobicContact CZ-CG 4.48Å; C69-F96 HydrophobicContact CB-CB 3.97Å; M84-F96 HydrophobicContact CE-CE1 4.03Å; M84-F96 HydrophobicContact CE-CZ 4.24Å; M84-F96 HydrophobicContact SD-CE1 4.1Å; C94-F96 PolarHBondContact O-N 2.83Å; F96-V100 WeakPolarHBondContact O-CG2 3.41Å; F96-V100 PolarHBondContact O-N 3.07Å
97	I	80.2	Confident	66	Low	3 Å²	3	80.9 Å²	80.9	2%	0.015	44%	0.444	C	S	.	.	H	α-helix	trans	-69.8	-40.9	177.4	-64.4	-62.7	0	0	0	111.5	M84 H87 K88 C94 D95 N99 V100 L101	M84-I97 HydrophobicContact SD-CD1 3.55Å; M84-I97 VanDerWaalsContact SD-CD1 3.55Å; H87-I97 HydrophobicContact CB-CD1 4.12Å; K88-I97 HydrophobicContact CB-CG2 4.05Å; K88-I97 HydrophobicContact CG-CG2 4.01Å; C94-I97 HydrophobicContact CB-CB 4.15Å; C94-I97 HydrophobicContact CB-CG1 3.96Å; C94-I97 WeakPolarHBondContact O-CA 3.21Å; C94-I97 WeakPolarHBondContact O-CB 3.37Å; C94-I97 PolarHBondContact O-N 2.94Å; D95-I97 VanDerWaalsContact C-N 3.35Å; D95-I97 PolarHBondContact O-N 3.31Å; I97-N99 PolarHBondContact O-N 3.13Å; I97-V100 PolarHBondContact O-N 3.28Å; I97-L101 HydrophobicContact CG2-CD1 3.87Å; I97-L101 HydrophobicContact CG2-CG 4.34Å; I97-L101 VanDerWaalsContact O-CG 3.31Å; I97-L101 WeakPolarHBondContact O-CG 3.44Å; I97-L101 PolarHBondContact O-N 3.16Å
98	Q	74.2	Confident	63.4	Low	97 Å²	97	88.5 Å²	88.5	45%	0.453	48%	0.484	S	S	.	.	H	α-helix	trans	-64	-40.5	179	-66.6	-166.6	0.6	0	0	112.2	C94 D95 L101 S102	C94-Q98 PolarHBondContact O-N 2.8Å; D95-Q98 PolarHBondContact O-N 3.26Å; Q98-L101 PolarHBondContact O-N 3.35Å; Q98-S102 PolarHBondContact O-N 3.12Å; Q98-S102 VanDerWaalsContact O-N 3.11Å; Q98-S102 PolarHBondContact O-OG 3.35Å
99	N	67.4	Low	60.6	Low	110 Å²	110	89.4 Å²	89.4	59%	0.588	50%	0.503	S	S	*	.	H	α-helix	trans	-61.8	-45.5	173.6	-78.1	-61.8	0	0	0	111.8	D95 I97 L101 S102	D95-N99 WeakPolarHBondContact O-CB 3.41Å; D95-N99 PolarHBondContact O-N 3.24Å; D95-N99 PolarHBondContact O-ND2 2.86Å; I97-N99 PolarHBondContact O-N 3.13Å; N99-L101 VanDerWaalsContact C-N 3.33Å; N99-L101 PolarHBondContact O-N 3.14Å; N99-S102 PolarHBondContact O-N 3.08Å
100	V	65.1	Low	58.1	Low	55 Å²	55	88.2 Å²	88.2	33%	0.333	51%	0.51	S	S	.	.	H	α-helix	trans	-60.7	-39.6	176.2	170	0	0	0	0	112.3	F96 I97 S102	F96-V100 WeakPolarHBondContact O-CG2 3.41Å; F96-V100 PolarHBondContact O-N 3.07Å; I97-V100 PolarHBondContact O-N 3.28Å; V100-S102 VanDerWaalsContact C-N 3.34Å; V100-S102 PolarHBondContact O-N 3.17Å
101	L	53.4	Low	55.9	Low	60 Å²	60	95.3 Å²	95.3	31%	0.314	53%	0.53	S	S	.	.	H	α-helix	trans	-70.1	-30.1	179.3	-68.9	171.7	0	0	0	113.3	K88 I97 Q98 N99 V103 N104	K88-L101 HydrophobicContact CD-CD1 4.43Å; K88-L101 HydrophobicContact CD-CD2 4.04Å; I97-L101 HydrophobicContact CG2-CD1 3.87Å; I97-L101 HydrophobicContact CG2-CG 4.34Å; I97-L101 VanDerWaalsContact O-CG 3.31Å; I97-L101 WeakPolarHBondContact O-CG 3.44Å; I97-L101 PolarHBondContact O-N 3.16Å; Q98-L101 PolarHBondContact O-N 3.35Å; N99-L101 VanDerWaalsContact C-N 3.33Å; N99-L101 PolarHBondContact O-N 3.14Å; L101-V103 VanDerWaalsContact C-N 3.31Å; L101-V103 PolarHBondContact O-N 3.05Å; L101-N104 PolarHBondContact O-N 2.99Å
102	S	48.1	Very low	53.7	Low	78 Å²	78	96.1 Å²	96.1	55%	0.545	55%	0.55	S	S	.	*	H	α-helix	trans	-68	-30.4	-177.8	-61	0	0	0	0	112.7	Q98 N99 V100	Q98-S102 PolarHBondContact O-N 3.12Å; Q98-S102 VanDerWaalsContact O-N 3.11Å; Q98-S102 PolarHBondContact O-OG 3.35Å; N99-S102 PolarHBondContact O-N 3.08Å; V100-S102 VanDerWaalsContact C-N 3.34Å; V100-S102 PolarHBondContact O-N 3.17Å
103	V	43.1	Very low	51.2	Low	102 Å²	102	96 Å²	96	62%	0.618	56%	0.555	S	S	*	*	H	α-helix	trans	-71.5	-37.9	-179.9	-177.3	0	0	0	0	112.3	L101 N105 L106	L101-V103 VanDerWaalsContact C-N 3.31Å; L101-V103 PolarHBondContact O-N 3.05Å; V103-N105 VanDerWaalsContact C-N 3.28Å; V103-N105 PolarHBondContact O-N 3.14Å; V103-L106 PolarHBondContact O-N 2.88Å
104	N	40.7	Very low	48.7	Very low	113 Å²	113	102.7 Å²	102.7	60%	0.604	58%	0.577	S	S	*	*	H	α-helix	trans	-67.9	-22.9	-170.3	-73.4	-16.1	0	0	0	114.3	L101 L106	L101-N104 PolarHBondContact O-N 2.99Å; N104-L106 VanDerWaalsContact C-N 3.29Å; N104-L106 PolarHBondContact O-N 2.88Å
105	N	37.5	Very low	46	Very low	140 Å²	140	108.1 Å²	108.1	75%	0.749	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-12.2	-178	-75.8	-28.6	0	0	0	114.4	V103	V103-N105 VanDerWaalsContact C-N 3.28Å; V103-N105 PolarHBondContact O-N 3.14Å
106	L	39.7	Very low	43.8	Very low	153 Å²	153	108.9 Å²	108.9	80%	0.801	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-11.1	178.4	-80	154.8	0	0	0	113.7	V103 N104 L108	V103-L106 PolarHBondContact O-N 2.88Å; N104-L106 VanDerWaalsContact C-N 3.29Å; N104-L106 PolarHBondContact O-N 2.88Å; L106-L108 VanDerWaalsContact C-N 3.31Å; L106-L108 PolarHBondContact O-N 3.46Å
107	G	33.9	Very low	41	Very low	59 Å²	59	115 Å²	115	61%	0.608	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	0.1	-174.3	0	0	0	0	0	116.9
108	L	31.8	Very low	38.4	Very low	160 Å²	160	121.3 Å²	121.3	84%	0.838	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.1	12.4	-167.3	-81.1	169.3	0	0	0	115.9	L106	L106-L108 VanDerWaalsContact C-N 3.31Å; L106-L108 PolarHBondContact O-N 3.46Å
109	S	27.4	Very low	36.1	Very low	117 Å²	117	123 Å²	123	82%	0.818	71%	0.714	S	S	*	*			trans	-112.5	37.4	176.1	-75	0	0	0	0	114.5	R111	S109-R111 PolarHBondContact O-N 3.31Å
110	S	30.1	Very low	33.9	Very low	118 Å²	118	123.5 Å²	123.5	83%	0.825	73%	0.727	S	S	*	*			trans	-77.7	81.1	174.6	-61	0	0	0	0	112.5
111	R	29.2	Very low	32	Very low	250 Å²	250	125.6 Å²	125.6	94%	0.943	74%	0.744	S	S	*	*			trans	-91.2	98.8	162.1	-81.3	-164.4	172.6	-150.5	-2.1	110.6	S109	S109-R111 PolarHBondContact O-N 3.31Å
112	S	29.1	Very low	30.5	Very low	119 Å²	119	132.5 Å²	132.5	83%	0.832	77%	0.772	S	S	*	*			trans	-62.3	131.7	173.9	-169	0	0	0	0	111.7
113	A	26.7	Very low	29.3	Very low	69 Å²	69	134.1 Å²	134.1	57%	0.57	78%	0.783	S	S	*	*			trans	-91.8	162.8	156.2	0	0	0	0	0	109.2
114	F	26.5	Very low	28.5	Very low	207 Å²	207	134.8 Å²	134.8	91%	0.908	79%	0.789	S	S	*	*			trans	77.5	75	-177.2	-44.8	-67	0	0	0	116.3
115	S	27.1	Very low	27.8	Very low	117 Å²	117	134.3 Å²	134.3	82%	0.818	80%	0.795	S	S	*	*			trans	-152.8	149.2	139.6	-101.7	0	0	0	0	109
116	P	26.8	Very low	27.2	Very low	118 Å²	118	134 Å²	134	77%	0.766	79%	0.793	S	S	*	*			trans	-80.3	156.2	-166.3	31.6	-36.2	0	0	0	114.2
117	L	23	Very low	26.5	Very low	169 Å²	169	134.1 Å²	134.1	89%	0.885	79%	0.789	S	S	*	*			trans	-67.5	132.3	171.7	-93.2	71.5	0	0	0	111.2
118	V	25.2	Very low	26	Very low	136 Å²	136	135.5 Å²	135.5	82%	0.824	79%	0.789	S	S	*	*			trans	-120.7	130.1	154.9	-178.4	0	0	0	0	107.5
119	T	25.4	Very low	25.7	Very low	132 Å²	132	134 Å²	134	81%	0.81	78%	0.78	S	S	*	*			trans	-79.5	125.9	-176.1	47.7	0	0	0	0	112
120	S	23	Very low	25.5	Very low	122 Å²	122	134.8 Å²	134.8	85%	0.853	78%	0.776	S	S	*	*			trans	-142.5	134.5	146	55.5	0	0	0	0	110.1
121	S	23.6	Very low	25.1	Very low	98 Å²	98	137.1 Å²	137.1	69%	0.685	77%	0.771	S	S	*	*			trans	-89.4	143.4	-179.1	52.1	0	0	0	0	111
122	F	22.3	Very low	24.8	Very low	206 Å²	206	130.2 Å²	130.2	90%	0.904	76%	0.757	S	S	*	*			trans	-164.8	133.2	131.2	-88.9	-58.9	0	0	0	111
123	S	23.3	Very low	24.5	Very low	112 Å²	112	133.1 Å²	133.1	78%	0.783	76%	0.758	S	S	*	*			trans	-113.5	150	166	-54	0	0	0	0	108.1
124	P	27.1	Very low	24.2	Very low	116 Å²	116	135 Å²	135	75%	0.753	77%	0.766	S	S	*	*				-141.5	138.2	95.8	32.7	-15.5	0	0	0	113.1
125	S	24.7	Very low	24	Very low	103 Å²	103	132.3 Å²	132.3	72%	0.72	76%	0.76	S	S	*	*				79.6	148.4	84.1	103.2	0	0	0	0	114
126	L	25.4	Very low	23.9	Very low	134 Å²	134	133.9 Å²	133.9	70%	0.702	76%	0.755	S	S	*	*			cis	-165.2	-172.1	-4.3	-128.7	172.9	0	0	0	110.3
127	H	25.2	Very low	23.7	Very low	154 Å²	154	136.1 Å²	136.1	71%	0.713	76%	0.755	S	S	*	*			trans	84.4	132.5	168.6	-56.5	-63.3	0	0	0	117.5
128	S	23.5	Very low	23.7	Very low	89 Å²	89	134.4 Å²	134.4	62%	0.622	75%	0.752	S	S	*	*			cis	-158.1	131.2	-4.5	-100.4	0	0	0	0	110.2
129	I	24.7	Very low	23.6	Very low	127 Å²	127	131.1 Å²	131.1	65%	0.651	75%	0.745	S	S	*	*				73.5	132.8	89.2	-66.2	172.9	0	0	0	112.2
130	N	23.4	Very low	23.4	Very low	135 Å²	135	136.5 Å²	136.5	72%	0.722	75%	0.752	S	S	*	*			cis	-132.4	152.8	24.4	-96.2	-46.5	0	0	0	111.9
131	F	22	Very low	23.3	Very low	166 Å²	166	139.7 Å²	139.7	73%	0.728	75%	0.751	S	S	*	*				67.6	144.3	70.8	-77.4	-77	0	0	0	115.8
132	T	22.7	Very low	23.3	Very low	106 Å²	106	140.4 Å²	140.4	65%	0.65	76%	0.756	S	S	*	*			cis	-157.5	149.4	22.5	-16	0	0	0	0	114.5
133	Q	22.8	Very low	23.2	Very low	180 Å²	180	133.5 Å²	133.5	84%	0.841	74%	0.743	S	S	*	*			trans	33.4	159.9	141.5	-72.1	164.7	-19.7	0	0	123
134	S	21.3	Very low	23.2	Very low	107 Å²	107	133.6 Å²	133.6	75%	0.748	74%	0.744	S	S	*	*			cis	-154.2	139.9	14	56.7	0	0	0	0	111.2
135	L	21.7	Very low	23	Very low	151 Å²	151	137 Å²	137	79%	0.791	75%	0.747	S	S	*	*				82.4	139.1	89.3	-165.7	60.5	0	0	0	118.1
136	E	24.1	Very low	22.9	Very low	151 Å²	151	137.1 Å²	137.1	71%	0.706	75%	0.748	S	S	*	*			trans	85.8	112.1	158	-90.5	164.7	-133.6	0	0	125.3
137	Q	23.1	Very low	22.8	Very low	164 Å²	164	136.2 Å²	136.2	77%	0.766	75%	0.752	S	S	*	*				78.1	110.5	118.9	-149.3	139.6	-23.8	0	0	125.1
138	V	23.8	Very low	22.8	Very low	134 Å²	134	138.5 Å²	138.5	81%	0.812	76%	0.761	S	S	*	*			trans	42.1	95.3	138.8	-174.9	0	0	0	0	120.8
139	G	22	Very low	23.3	Very low	66 Å²	66	139.6 Å²	139.6	68%	0.68	77%	0.766	S	S	*	*				47.9	131.8	123.1	0	0	0	0	0	124.2
140	Y	22.7	Very low	23.3	Very low	245 Å²	245	142.1 Å²	142.1	96%	0.961	78%	0.775	S	S	*	*			trans	-157.8	-157.3	133.2	-123.3	-84.7	0	0	0	111.6
141	F	20.8	Very low	23.4	Very low	190 Å²	190	142.9 Å²	142.9	83%	0.833	78%	0.779	S	S	*	*			trans	-120.3	163.2	-152.9	-156.1	-99.7	0	0	0	114.6
142	S	21.9	Very low	24.2	Very low	112 Å²	112	140.5 Å²	140.5	78%	0.783	78%	0.78	S	S	*	*			trans	83.3	127.9	158.6	-144.5	0	0	0	0	121.7
143	G	20.9	Very low	24.4	Very low	62 Å²	62	142.4 Å²	142.4	64%	0.639	79%	0.785	S	S	*	*				100.1	88.2	107.1	0	0	0	0	0	122.4
144	S	22.6	Very low	24.6	Very low	114 Å²	114	140 Å²	140	80%	0.797	78%	0.782	S	S	*	*			trans	75.1	121.1	131	-60.9	0	0	0	0	124.5
145	F	23.2	Very low	25	Very low	188 Å²	188	141.5 Å²	141.5	83%	0.825	79%	0.788	S	S	*	*			trans	86.7	128.5	131.5	-97.5	-96.3	0	0	0	124.7
146	S	23.7	Very low	25.5	Very low	104 Å²	104	145.8 Å²	145.8	73%	0.727	79%	0.793	S	S	*	*			trans	64.7	138.4	151.1	53.9	0	0	0	0	119.2
147	S	23.3	Very low	25.7	Very low	115 Å²	115	143.7 Å²	143.7	80%	0.804	80%	0.801	S	S	*	*			cis	-148.6	165.2	30.6	-66.9	0	0	0	0	115.7
148	F	23.7	Very low	26.1	Very low	202 Å²	202	141.8 Å²	141.8	89%	0.886	80%	0.801	S	S	*	*			trans	-78.1	-174.4	166.5	-71.5	-90.8	0	0	0	112.1
149	P	35.2	Very low	26.4	Very low	113 Å²	113	141.7 Å²	141.7	73%	0.734	80%	0.796	S	S	*	*			cis	-127.8	-158.2	2.2	31.9	-5.9	0	0	0	112.5
150	Q	24.9	Very low	27	Very low	179 Å²	179	145 Å²	145	84%	0.836	80%	0.797	S	S	*	*			cis	-143.4	172.1	11.2	-63.1	-177.1	-110.2	0	0	112.8
151	D	25.6	Very low	27.4	Very low	151 Å²	151	137.8 Å²	137.8	81%	0.807	78%	0.783	S	S	*	*			trans	-88.7	-169.9	175.5	-35.4	-97	0	0	0	112.9
152	P	38.2	Very low	28.1	Very low	116 Å²	116	134.6 Å²	134.6	75%	0.753	78%	0.783	S	S	*	*			cis	-122.5	-172.7	-11.5	27.6	-2.4	0	0	0	111.7
153	I	26.1	Very low	28.9	Very low	146 Å²	146	136.3 Å²	136.3	75%	0.749	78%	0.782	S	S	*	*			cis	-155.9	132.1	45.8	-69.9	170.3	0	0	0	112
154	T	28.3	Very low	29.6	Very low	129 Å²	129	144.8 Å²	144.8	79%	0.791	80%	0.795	S	S	*	*			trans	28.9	101.8	149	-44.4	0	0	0	0	120.7
155	T	29.1	Very low	31.2	Very low	140 Å²	140	144.9 Å²	144.9	86%	0.859	79%	0.793	S	S	*	*			trans	-128.5	154.7	143.6	39.7	0	0	0	0	110.8
156	R	33.3	Very low	32.3	Very low	241 Å²	241	145.1 Å²	145.1	91%	0.909	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-67.7	143.8	-170.1	-67.6	173.7	175.8	152.2	-2.2	112.2
157	A	27.4	Very low	33.7	Very low	106 Å²	106	145.4 Å²	145.4	88%	0.876	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-64.2	134.3	-178.7	0	0	0	0	0	112.5
158	V	32.1	Very low	35.3	Very low	125 Å²	125	143.9 Å²	143.9	76%	0.758	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-101.3	121.4	160.9	-173.3	0	0	0	0	106	L160	V158-L160 PolarHBondContact O-N 2.68Å
159	D	29.3	Very low	37.4	Very low	132 Å²	132	136.3 Å²	136.3	71%	0.706	74%	0.743	S	S	*	*			trans	-68.3	114.5	179.5	177.5	40.1	0	0	0	110.3	S161	D159-S161 PolarHBondContact O-N 3.47Å; D159-S161 VanDerWaalsContact OD2-CB 3.26Å; D159-S161 WeakPolarHBondContact OD2-CB 3.03Å; D159-S161 PolarHBondContact OD2-OG 2.86Å
160	L	34.2	Very low	39.2	Very low	136 Å²	136	135.6 Å²	135.6	71%	0.712	74%	0.739	S	S	*	*			trans	-92.1	35.2	-170.3	-145.3	80.4	0	0	0	112.5	V158 C162	V158-L160 PolarHBondContact O-N 2.68Å; L160-C162 PolarHBondContact O-N 2.97Å
161	S	32.2	Very low	41.6	Very low	93 Å²	93	130.8 Å²	130.8	65%	0.65	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	0.5	-171.2	46	0	0	0	0	115.4	D159 L163	D159-S161 PolarHBondContact O-N 3.47Å; D159-S161 VanDerWaalsContact OD2-CB 3.26Å; D159-S161 WeakPolarHBondContact OD2-CB 3.03Å; D159-S161 PolarHBondContact OD2-OG 2.86Å; S161-L163 VanDerWaalsContact C-N 3.34Å; S161-L163 PolarHBondContact O-N 2.83Å
162	C	35.4	Very low	44.4	Very low	123 Å²	123	125.2 Å²	125.2	83%	0.831	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	8	-175.5	-158.2	0	0	0	0	115.6	L160	L160-C162 PolarHBondContact O-N 2.97Å
163	L	39.2	Very low	46.2	Very low	147 Å²	147	122.6 Å²	122.6	77%	0.77	68%	0.679	S	S	*	*			trans	-124	75	-177.3	-71	176.1	0	0	0	114	S161	S161-L163 VanDerWaalsContact C-N 3.34Å; S161-L163 PolarHBondContact O-N 2.83Å
164	R	34.1	Very low	48.7	Very low	240 Å²	240	119.2 Å²	119.2	91%	0.906	67%	0.665	S	S	*	*			trans	-132.9	115	155.3	-89.8	-169.7	175.8	-173	1.1	110.8
165	P	56.1	Low	51.5	Low	116 Å²	116	117 Å²	117	75%	0.753	65%	0.646	S	S	*	*			trans	-80.8	160.7	172.1	32.8	-34.1	0	0	0	112.1
166	K	47.7	Very low	54.1	Low	193 Å²	193	115.4 Å²	115.4	84%	0.839	63%	0.632	S	S	*	*			trans	93.8	145.8	-176.1	-57.8	162.1	-178.9	176.2	0	113.3
167	L	51.7	Low	56.4	Low	111 Å²	111	104.4 Å²	104.4	58%	0.581	59%	0.593	S	S	*	*			cis	-143	54.7	14.4	-161.4	78.6	0	0	0	113.9	N169 T213	L167-N169 PolarHBondContact O-N 3.4Å; L167-T213 CarbonylContact C-O 3.48Å
168	C	57.3	Low	59.5	Low	82 Å²	82	99.7 Å²	99.7	55%	0.554	55%	0.552	S	S	*	*			trans	-68.5	132	168.3	-173.2	0	0	0	0	110.5	P170 F212	C168-P170 WeakPolarHBondContact O-CD 3.37Å; C168-F212 CarbonylContact C-O 3.57Å; C168-F212 WeakPolarHBondContact CA-O 3.26Å
169	N	68.9	Low	62.3	Low	43 Å²	43	97 Å²	97	23%	0.23	53%	0.533	C	S	.	.			trans	-98.4	101.4	175.7	-176.2	-0.2	0	0	0	110.1	L167 S171 M172 Y201 F212	L167-N169 PolarHBondContact O-N 3.4Å; N169-S171 VanDerWaalsContact C-N 3.3Å; N169-S171 PolarHBondContact O-N 3.39Å; N169-S171 PolarHBondContact OD1-OG 3.25Å; N169-M172 HydrophobicContact CB-CB 4.44Å; N169-M172 WeakPolarHBondContact ND2-CG 3.49Å; N169-M172 PolarHBondContact O-N 2.83Å; N169-M172 VanDerWaalsContact O-N 3.1Å; N169-Y201 PolarHBondContact ND2-OH 3.2Å; N169-F212 PolarHBondContact N-O 3.2Å
170	P	71.3	Confident	65.2	Low	99 Å²	99	99 Å²	99	64%	0.643	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-66.2	-28.9	-167.9	-22	34.9	0	0	0	114.1	C168 M172 S173	C168-P170 WeakPolarHBondContact O-CD 3.37Å; P170-M172 PolarHBondContact O-N 2.86Å; P170-S173 WeakPolarHBondContact O-CB 3.43Å; P170-S173 PolarHBondContact O-N 3.07Å; P170-S173 PolarHBondContact O-OG 3.08Å
171	S	76.6	Confident	67.9	Low	77 Å²	77	94.2 Å²	94.2	54%	0.538	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-72.3	-13.8	178.8	62.4	0	0	0	0	113.6	N169 A177	N169-S171 VanDerWaalsContact C-N 3.3Å; N169-S171 PolarHBondContact O-N 3.39Å; N169-S171 PolarHBondContact OD1-OG 3.25Å; S171-A177 WeakPolarHBondContact O-CB 3.35Å
172	M	83.8	Confident	70.8	Confident	34 Å²	34	90.4 Å²	90.4	17%	0.167	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-110.2	16.1	179.1	-63.9	-60.9	159.4	0	0	112.5	N169 P170 R178 T181 Y201 F212	N169-M172 HydrophobicContact CB-CB 4.44Å; N169-M172 WeakPolarHBondContact ND2-CG 3.49Å; N169-M172 PolarHBondContact O-N 2.83Å; N169-M172 VanDerWaalsContact O-N 3.1Å; P170-M172 PolarHBondContact O-N 2.86Å; M172-R178 HydrophobicContact CB-CG 4.05Å; M172-R178 WeakPolarHBondContact O-CD 3.32Å; M172-R178 WeakPolarHBondContact O-CG 3.46Å; M172-R178 PolarHBondContact O-NH1 2.82Å; M172-R178 HydrophobicContact SD-CG 4.36Å; M172-T181 HydrophobicContact CE-CG2 3.61Å; M172-T181 HydrophobicContact SD-CG2 3.76Å; M172-Y201 HydrophobicContact CB-CD1 3.82Å; M172-Y201 HydrophobicContact CB-CE1 4.15Å; M172-Y201 HydrophobicContact CB-CG 4.36Å; M172-Y201 HydrophobicContact CG-CD1 3.73Å; M172-Y201 HydrophobicContact CG-CD2 4.22Å; M172-Y201 HydrophobicContact CG-CE1 3.99Å; M172-Y201 HydrophobicContact CG-CE2 4.45Å; M172-Y201 HydrophobicContact CG-CG 3.85Å; M172-Y201 HydrophobicContact SD-CD1 4.46Å; M172-Y201 HydrophobicContact SD-CD2 4.38Å; M172-Y201 HydrophobicContact SD-CG 4.04Å; M172-F212 HydrophobicContact CB-CB 3.71Å; M172-F212 VanDerWaalsContact O-CB 3.29Å; M172-F212 WeakPolarHBondContact O-CB 3.44Å; M172-F212 VanDerWaalsContact O-CG 3.25Å; M172-F212 WeakPolarHBondContact O-CG 3.45Å
173	S	76.1	Confident	73.2	Confident	62 Å²	62	93.3 Å²	93.3	43%	0.434	48%	0.48	S	S	.	.			trans	-66	-38.9	-178.7	52.5	0	0	0	0	113.9	P170 R178	P170-S173 WeakPolarHBondContact O-CB 3.43Å; P170-S173 PolarHBondContact O-N 3.07Å; P170-S173 PolarHBondContact O-OG 3.08Å; S173-R178 PolarHBondContact O-NH1 3.49Å
174	T	78.8	Confident	75.4	Confident	75 Å²	75	90.3 Å²	90.3	46%	0.46	47%	0.471	S	S	.	.	S	Bend	trans	-89.3	149.5	178.2	62.5	0	0	0	0	112.5	D176 A177 R178	T174-D176 PolarHBondContact O-N 3.25Å; T174-A177 PolarHBondContact O-N 2.85Å; T174-A177 VanDerWaalsContact OG1-CB 3.31Å; T174-A177 WeakPolarHBondContact OG1-CB 3.46Å; T174-R178 PolarHBondContact O-N 3.48Å; T174-R178 PolarHBondContact O-NH1 3.3Å
175	E	86.2	Confident	78	Confident	83 Å²	83	80.3 Å²	80.3	39%	0.388	43%	0.433	S	S	.	.	H	α-helix	trans	-62.2	-42.8	180	-168.9	165.7	136.4	0	0	111.9	A177 R178 L179 A196	E175-A177 VanDerWaalsContact C-N 3.28Å; E175-A177 PolarHBondContact O-N 3.2Å; E175-R178 PolarHBondContact O-N 2.91Å; E175-R178 VanDerWaalsContact O-N 3.14Å; E175-L179 WeakPolarHBondContact O-CB 3.41Å; E175-L179 PolarHBondContact O-N 3.12Å; E175-A196 HydrophobicContact CG-CB 4.12Å
176	D	83.6	Confident	79.4	Confident	105 Å²	105	78.3 Å²	78.3	56%	0.561	42%	0.421	S	S	*	.	H	α-helix	trans	-60.5	-35.6	176.4	-54.8	-71.8	0	0	0	113	T174 R180	T174-D176 PolarHBondContact O-N 3.25Å; D176-R180 WeakPolarHBondContact O-CG 3.27Å; D176-R180 PolarHBondContact O-N 3.2Å; D176-R180 VanDerWaalsContact O-N 3.11Å; D176-R180 PolarHBondContact O-NH1 3.41Å; D176-R180 VanDerWaalsContact O-NH1 3.16Å
177	A	82.1	Confident	81.2	Confident	11 Å²	11	71 Å²	71	9%	0.091	39%	0.39	C	S	.	.	H	α-helix	trans	-67	-40.7	177.3	0	0	0	0	0	111.5	S171 T174 E175	S171-A177 WeakPolarHBondContact O-CB 3.35Å; T174-A177 PolarHBondContact O-N 2.85Å; T174-A177 VanDerWaalsContact OG1-CB 3.31Å; T174-A177 WeakPolarHBondContact OG1-CB 3.46Å; E175-A177 VanDerWaalsContact C-N 3.28Å; E175-A177 PolarHBondContact O-N 3.2Å
178	R	93.3	Very high	82.6	Confident	7 Å²	7	72.5 Å²	72.5	3%	0.026	40%	0.404	C	S	.	.	H	α-helix	trans	-67.1	-46.7	173.9	-62.8	-168.5	-63.2	-83.6	1.2	111.6	M172 S173 T174 E175 R180 T181 F182 A196 F200 F212	M172-R178 HydrophobicContact CB-CG 4.05Å; M172-R178 WeakPolarHBondContact O-CD 3.32Å; M172-R178 WeakPolarHBondContact O-CG 3.46Å; M172-R178 PolarHBondContact O-NH1 2.82Å; M172-R178 HydrophobicContact SD-CG 4.36Å; S173-R178 PolarHBondContact O-NH1 3.49Å; T174-R178 PolarHBondContact O-N 3.48Å; T174-R178 PolarHBondContact O-NH1 3.3Å; E175-R178 PolarHBondContact O-N 2.91Å; E175-R178 VanDerWaalsContact O-N 3.14Å; R178-R180 VanDerWaalsContact C-N 3.29Å; R178-R180 PolarHBondContact O-N 2.81Å; R178-T181 WeakPolarHBondContact O-CB 3.42Å; R178-T181 PolarHBondContact O-N 3.15Å; R178-T181 PolarHBondContact O-OG1 2.69Å; R178-F182 VanDerWaalsContact O-CD2 3.3Å; R178-F182 WeakPolarHBondContact O-CD2 3.43Å; R178-A196 HydrophobicContact CB-CB 4.12Å; R178-A196 VanDerWaalsContact CZ-O 3.3Å; R178-A196 PolarHBondContact NE-O 3.04Å; R178-A196 PolarHBondContact NH2-O 3.37Å; R178-F200 WeakPolarHBondContact CB-O 3.35Å; R178-F212 VanDerWaalsContact NH1-CE1 3.28Å
179	L	91.3	Very high	83.9	Confident	69 Å²	69	72.9 Å²	72.9	36%	0.361	40%	0.397	S	S	.	.	H	α-helix	trans	-57.8	-40.1	-179.3	-176.7	55.5	0	0	0	112.2	E175 T181 F182 P192 A193 A196	E175-L179 WeakPolarHBondContact O-CB 3.41Å; E175-L179 PolarHBondContact O-N 3.12Å; L179-T181 PolarHBondContact O-N 2.98Å; L179-T181 VanDerWaalsContact O-N 3.14Å; L179-F182 PolarHBondContact O-N 3.46Å; L179-F182 VanDerWaalsContact O-N 3.16Å; L179-P192 HydrophobicContact CD1-CB 3.85Å; L179-A193 HydrophobicContact CD1-CB 4.46Å; L179-A196 HydrophobicContact CB-CB 3.87Å; L179-A196 HydrophobicContact CD1-CB 4.3Å
180	R	90.4	Very high	84.6	Confident	173 Å²	173	71.5 Å²	71.5	65%	0.653	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-60.3	-20.4	175.4	-75.2	-172.5	-57.7	-90.9	8.6	114.5	D176 R178 F182	D176-R180 WeakPolarHBondContact O-CG 3.27Å; D176-R180 PolarHBondContact O-N 3.2Å; D176-R180 VanDerWaalsContact O-N 3.11Å; D176-R180 PolarHBondContact O-NH1 3.41Å; D176-R180 VanDerWaalsContact O-NH1 3.16Å; R178-R180 VanDerWaalsContact C-N 3.29Å; R178-R180 PolarHBondContact O-N 2.81Å; R180-F182 VanDerWaalsContact C-N 3.33Å
181	T	90.6	Very high	85.4	Confident	35 Å²	35	69 Å²	69	22%	0.215	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-72.4	-24.5	177.2	66.8	0	0	0	0	113.4	M172 R178 L179 H183 Y202	M172-T181 HydrophobicContact CE-CG2 3.61Å; M172-T181 HydrophobicContact SD-CG2 3.76Å; R178-T181 WeakPolarHBondContact O-CB 3.42Å; R178-T181 PolarHBondContact O-N 3.15Å; R178-T181 PolarHBondContact O-OG1 2.69Å; L179-T181 PolarHBondContact O-N 2.98Å; L179-T181 VanDerWaalsContact O-N 3.14Å; T181-H183 PolarHBondContact O-N 3.25Å; T181-H183 VanDerWaalsContact O-N 3.09Å; T181-Y202 WeakPolarHBondContact O-CD1 3.42Å; T181-Y202 PolarHBondContact OG1-N 3.29Å
182	F	91.8	Very high	86	Confident	13 Å²	13	67.4 Å²	67.4	6%	0.057	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-80.2	17	-173.6	-68.2	-91.2	0	0	0	114.6	R178 L179 R180 S184 W185 P192 L195 A196 Y202 V209	R178-F182 VanDerWaalsContact O-CD2 3.3Å; R178-F182 WeakPolarHBondContact O-CD2 3.43Å; L179-F182 PolarHBondContact O-N 3.46Å; L179-F182 VanDerWaalsContact O-N 3.16Å; R180-F182 VanDerWaalsContact C-N 3.33Å; F182-S184 PolarHBondContact O-N 2.96Å; F182-W185 HydrophobicContact CB-CB 4.08Å; F182-W185 HydrophobicContact CD1-CB 4.06Å; F182-W185 AromaticContact CD1-CD2 3.79Å; F182-W185 HydrophobicContact CD1-CD2 3.79Å; F182-W185 AromaticContact CD1-CE3 3.8Å; F182-W185 HydrophobicContact CD1-CE3 3.8Å; F182-W185 AromaticContact CD1-CG 3.92Å; F182-W185 HydrophobicContact CD1-CG 3.92Å; F182-W185 HydrophobicContact CE1-CD2 4.2Å; F182-W185 AromaticContact CE1-CE3 3.97Å; F182-W185 HydrophobicContact CE1-CE3 3.97Å; F182-W185 HydrophobicContact CE1-CZ3 4.24Å; F182-W185 WeakPolarHBondContact O-CB 3.01Å; F182-W185 PolarHBondContact O-N 3.24Å; F182-W185 VanDerWaalsContact O-N 3.08Å; F182-P192 HydrophobicContact CB-CB 3.63Å; F182-P192 HydrophobicContact CB-CG 4.1Å; F182-P192 HydrophobicContact CD1-CB 4.2Å; F182-P192 HydrophobicContact CD2-CB 4.36Å; F182-P192 HydrophobicContact CG-CB 3.83Å; F182-L195 HydrophobicContact CD1-CD1 4.46Å; F182-L195 HydrophobicContact CE1-CB 3.84Å; F182-L195 HydrophobicContact CE1-CD1 3.8Å; F182-L195 HydrophobicContact CE1-CG 4.41Å; F182-L195 HydrophobicContact CE2-CB 4.35Å; F182-L195 HydrophobicContact CZ-CB 3.58Å; F182-L195 HydrophobicContact CZ-CD1 4.42Å; F182-A196 HydrophobicContact CE2-CB 4.36Å; F182-Y202 HydrophobicContact CD1-CG 4.35Å; F182-V209 HydrophobicContact CE1-CG1 3.81Å; F182-V209 HydrophobicContact CZ-CG1 4.15Å
183	H	86	Confident	86.1	Confident	185 Å²	185	67.7 Å²	67.7	86%	0.856	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-61.8	-16.3	-175.4	-161.1	80.3	0	0	0	114.4	T181	T181-H183 PolarHBondContact O-N 3.25Å; T181-H183 VanDerWaalsContact O-N 3.09Å
184	S	85.4	Confident	86.5	Confident	83 Å²	83	68.7 Å²	68.7	58%	0.58	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-129.9	35.2	174.1	55.8	0	0	0	0	112.8	F182 Y202	F182-S184 PolarHBondContact O-N 2.96Å; S184-Y202 WeakPolarHBondContact O-CE1 3.25Å; S184-Y202 PolarHBondContact O-OH 2.93Å
185	W	90.1	Very high	86.9	Confident	30 Å²	30	65.1 Å²	65.1	11%	0.114	35%	0.348	C	S	.	.			trans	-69.9	128.5	176.5	-179.4	-112.7	0	0	0	111.8	F182 L187 L190 P192 L195 Y202 D207 V209	F182-W185 HydrophobicContact CB-CB 4.08Å; F182-W185 HydrophobicContact CD1-CB 4.06Å; F182-W185 AromaticContact CD1-CD2 3.79Å; F182-W185 HydrophobicContact CD1-CD2 3.79Å; F182-W185 AromaticContact CD1-CE3 3.8Å; F182-W185 HydrophobicContact CD1-CE3 3.8Å; F182-W185 AromaticContact CD1-CG 3.92Å; F182-W185 HydrophobicContact CD1-CG 3.92Å; F182-W185 HydrophobicContact CE1-CD2 4.2Å; F182-W185 AromaticContact CE1-CE3 3.97Å; F182-W185 HydrophobicContact CE1-CE3 3.97Å; F182-W185 HydrophobicContact CE1-CZ3 4.24Å; F182-W185 WeakPolarHBondContact O-CB 3.01Å; F182-W185 PolarHBondContact O-N 3.24Å; F182-W185 VanDerWaalsContact O-N 3.08Å; W185-L187 HydrophobicContact CH2-CD1 4.42Å; W185-L187 HydrophobicContact CZ2-CB 4.1Å; W185-L187 HydrophobicContact CZ2-CD1 3.92Å; W185-L187 HydrophobicContact CZ2-CG 4.17Å; W185-L187 PolarHBondContact NE1-O 3.21Å; W185-L187 VanDerWaalsContact NE1-O 3.08Å; W185-L190 PolarHBondContact NE1-O 2.7Å; W185-P192 HydrophobicContact CB-CG 4.46Å; W185-P192 HydrophobicContact CG-CG 4.31Å; W185-L195 HydrophobicContact CD2-CD1 4.49Å; W185-L195 HydrophobicContact CH2-CD1 3.98Å; W185-L195 HydrophobicContact CZ2-CD1 3.39Å; W185-Y202 AromaticContact CE3-CD2 3.49Å; W185-Y202 HydrophobicContact CE3-CD2 3.49Å; W185-Y202 VanDerWaalsContact CE3-CD2 3.49Å; W185-Y202 AromaticContact CE3-CE2 3.7Å; W185-Y202 HydrophobicContact CE3-CE2 3.7Å; W185-Y202 AromaticContact CE3-CG 3.96Å; W185-Y202 HydrophobicContact CE3-CG 3.96Å; W185-Y202 AromaticContact CZ3-CD2 3.65Å; W185-Y202 HydrophobicContact CZ3-CD2 3.65Å; W185-Y202 AromaticContact CZ3-CE2 3.91Å; W185-Y202 HydrophobicContact CZ3-CE2 3.91Å; W185-Y202 HydrophobicContact CZ3-CG 4.47Å; W185-D207 HydrophobicContact CH2-CB 3.88Å; W185-D207 VanDerWaalsContact CH2-O 3.26Å; W185-D207 WeakPolarHBondContact CH2-O 3.42Å; W185-D207 HydrophobicContact CZ3-CB 4.25Å; W185-D207 WeakPolarHBondContact CZ3-O 3.29Å; W185-V209 HydrophobicContact CE3-CG1 4.46Å; W185-V209 HydrophobicContact CH2-CG1 3.7Å; W185-V209 HydrophobicContact CZ3-CG1 3.5Å
186	P	83.9	Confident	87	Confident	75 Å²	75	61.1 Å²	61.1	49%	0.487	33%	0.33	S	S	.	.			trans	-90.6	-13	-170.9	34.3	-36.1	0	0	0	115.4	A206	P186-A206 WeakPolarHBondContact CD-O 3.31Å; P186-A206 VanDerWaalsContact CG-O 3.24Å; P186-A206 WeakPolarHBondContact CG-O 3.44Å
187	L	85.6	Confident	87.1	Confident	38 Å²	38	61.8 Å²	61.8	20%	0.199	33%	0.328	C	S	.	.			trans	-97	123.8	-175.1	-56.9	-176.5	0	0	0	111.5	W185 F189 D207 W221	W185-L187 HydrophobicContact CH2-CD1 4.42Å; W185-L187 HydrophobicContact CZ2-CB 4.1Å; W185-L187 HydrophobicContact CZ2-CD1 3.92Å; W185-L187 HydrophobicContact CZ2-CG 4.17Å; W185-L187 PolarHBondContact NE1-O 3.21Å; W185-L187 VanDerWaalsContact NE1-O 3.08Å; L187-F189 HydrophobicContact CB-CE1 4.28Å; L187-F189 HydrophobicContact CB-CZ 4.29Å; L187-F189 HydrophobicContact CD1-CE1 4.44Å; L187-F189 HydrophobicContact CD1-CE2 4.2Å; L187-F189 HydrophobicContact CD1-CZ 3.78Å; L187-F189 HydrophobicContact CD2-CE1 3.96Å; L187-F189 HydrophobicContact CD2-CZ 4.06Å; L187-F189 HydrophobicContact CG-CE1 4.46Å; L187-F189 HydrophobicContact CG-CZ 4.27Å; L187-D207 HydrophobicContact CD1-CB 3.59Å; L187-D207 HydrophobicContact CG-CB 4.05Å; L187-W221 HydrophobicContact CD1-CB 3.92Å; L187-W221 HydrophobicContact CD1-CG 4.46Å
188	T	82.6	Confident	87.3	Confident	143 Å²	143	61.3 Å²	61.3	88%	0.877	32%	0.324	S	S	*	.	S	Bend	trans	-89	-20.6	-178.6	52.4	0	0	0	0	114.1
189	F	83.9	Confident	87.1	Confident	90 Å²	90	61 Å²	61	40%	0.395	32%	0.322	S	S	.	.	S	Bend	trans	-84.2	-13.3	-179.5	58.4	-102.2	0	0	0	113.9	L187 W221 E222 P223	L187-F189 HydrophobicContact CB-CE1 4.28Å; L187-F189 HydrophobicContact CB-CZ 4.29Å; L187-F189 HydrophobicContact CD1-CE1 4.44Å; L187-F189 HydrophobicContact CD1-CE2 4.2Å; L187-F189 HydrophobicContact CD1-CZ 3.78Å; L187-F189 HydrophobicContact CD2-CE1 3.96Å; L187-F189 HydrophobicContact CD2-CZ 4.06Å; L187-F189 HydrophobicContact CG-CE1 4.46Å; L187-F189 HydrophobicContact CG-CZ 4.27Å; F189-W221 HydrophobicContact CE2-CB 4.48Å; F189-W221 WeakPolarHBondContact CZ-O 3.39Å; F189-E222 VanDerWaalsContact CE2-C 3.48Å; F189-E222 WeakPolarHBondContact CE2-O 3.44Å; F189-P223 HydrophobicContact CD1-CG 4.22Å; F189-P223 HydrophobicContact CD2-CB 4.2Å; F189-P223 HydrophobicContact CD2-CG 4.32Å; F189-P223 HydrophobicContact CE1-CG 4.21Å; F189-P223 HydrophobicContact CE2-CG 4.31Å; F189-P223 HydrophobicContact CG-CB 4.22Å; F189-P223 HydrophobicContact CG-CG 4.27Å; F189-P223 HydrophobicContact CZ-CG 4.25Å
190	L	83.3	Confident	87.2	Confident	14 Å²	14	57.7 Å²	57.7	7%	0.073	31%	0.305	C	S	.	.	S	Bend	trans	-118.1	119.1	176.3	-95	169.5	0	0	0	110.3	W185 P192 L195 W221	W185-L190 PolarHBondContact NE1-O 2.7Å; L190-P192 WeakPolarHBondContact O-CD 3.3Å; L190-L195 HydrophobicContact CB-CD1 4.45Å; L190-W221 HydrophobicContact CD1-CB 3.45Å; L190-W221 VanDerWaalsContact CD1-CB 3.45Å; L190-W221 HydrophobicContact CD1-CD2 3.73Å; L190-W221 HydrophobicContact CD1-CE3 3.67Å; L190-W221 HydrophobicContact CD1-CG 3.69Å
191	S	87.9	Confident	87.3	Confident	48 Å²	48	51.4 Å²	51.4	34%	0.336	28%	0.282	S	S	.	.			trans	-67.4	126.7	-177.9	179.3	0	0	0	0	111.9	A193 D194 L195	S191-A193 PolarHBondContact O-N 2.68Å; S191-A193 PolarHBondContact OG-N 2.87Å; S191-D194 WeakPolarHBondContact CB-OD2 3.4Å; S191-D194 PolarHBondContact O-N 3.21Å; S191-D194 VanDerWaalsContact O-N 3.11Å; S191-L195 PolarHBondContact O-N 3.06Å; S191-L195 VanDerWaalsContact O-N 3.11Å
192	P	88.8	Confident	87.5	Confident	42 Å²	42	50.7 Å²	50.7	27%	0.273	28%	0.276	S	S	.	.	H	α-helix	trans	-50.8	-32.5	165.3	-33.1	40	0	0	0	114.5	L179 F182 W185 L190 A196	L179-P192 HydrophobicContact CD1-CB 3.85Å; F182-P192 HydrophobicContact CB-CB 3.63Å; F182-P192 HydrophobicContact CB-CG 4.1Å; F182-P192 HydrophobicContact CD1-CB 4.2Å; F182-P192 HydrophobicContact CD2-CB 4.36Å; F182-P192 HydrophobicContact CG-CB 3.83Å; W185-P192 HydrophobicContact CB-CG 4.46Å; W185-P192 HydrophobicContact CG-CG 4.31Å; L190-P192 WeakPolarHBondContact O-CD 3.3Å; P192-A196 VanDerWaalsContact O-CB 3.3Å; P192-A196 WeakPolarHBondContact O-CB 3.33Å; P192-A196 PolarHBondContact O-N 3.39Å
193	A	87.6	Confident	87.4	Confident	40 Å²	40	52.9 Å²	52.9	33%	0.331	29%	0.288	S	S	.	.	H	α-helix	trans	-69.7	-42.7	177.8	0	0	0	0	0	111.5	L179 S191 L195 A196 K197	L179-A193 HydrophobicContact CD1-CB 4.46Å; S191-A193 PolarHBondContact O-N 2.68Å; S191-A193 PolarHBondContact OG-N 2.87Å; A193-L195 VanDerWaalsContact C-N 3.32Å; A193-L195 PolarHBondContact O-N 2.8Å; A193-A196 PolarHBondContact O-N 3.36Å; A193-K197 WeakPolarHBondContact O-CB 3.35Å; A193-K197 PolarHBondContact O-N 3.09Å
194	D	84	Confident	87.3	Confident	83 Å²	83	46.3 Å²	46.3	44%	0.444	27%	0.27	S	S	.	.	H	α-helix	trans	-68.8	-32.8	178.1	-67.3	-50.3	0	0	0	112	S191 A198	S191-D194 WeakPolarHBondContact CB-OD2 3.4Å; S191-D194 PolarHBondContact O-N 3.21Å; S191-D194 VanDerWaalsContact O-N 3.11Å; D194-A198 WeakPolarHBondContact O-CB 3.36Å; D194-A198 PolarHBondContact O-N 3.06Å
195	L	87.6	Confident	87.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.4	-47.5	171.4	-71	159.1	0	0	0	111.6	F182 W185 L190 S191 A193 K197 A198 G199 F200 V209 W221 A227	F182-L195 HydrophobicContact CD1-CD1 4.46Å; F182-L195 HydrophobicContact CE1-CB 3.84Å; F182-L195 HydrophobicContact CE1-CD1 3.8Å; F182-L195 HydrophobicContact CE1-CG 4.41Å; F182-L195 HydrophobicContact CE2-CB 4.35Å; F182-L195 HydrophobicContact CZ-CB 3.58Å; F182-L195 HydrophobicContact CZ-CD1 4.42Å; W185-L195 HydrophobicContact CD2-CD1 4.49Å; W185-L195 HydrophobicContact CH2-CD1 3.98Å; W185-L195 HydrophobicContact CZ2-CD1 3.39Å; L190-L195 HydrophobicContact CB-CD1 4.45Å; S191-L195 PolarHBondContact O-N 3.06Å; S191-L195 VanDerWaalsContact O-N 3.11Å; A193-L195 VanDerWaalsContact C-N 3.32Å; A193-L195 PolarHBondContact O-N 2.8Å; L195-K197 VanDerWaalsContact C-N 3.34Å; L195-K197 PolarHBondContact O-N 2.98Å; L195-A198 CarbonylContact O-C 3.56Å; L195-A198 PolarHBondContact O-N 2.86Å; L195-G199 PolarHBondContact O-N 3Å; L195-F200 HydrophobicContact CD2-CD2 4.31Å; L195-F200 WeakPolarHBondContact O-CB 3.23Å; L195-F200 PolarHBondContact O-N 3.48Å; L195-V209 HydrophobicContact CD2-CG2 4.45Å; L195-W221 HydrophobicContact CD2-CH2 3.94Å; L195-W221 HydrophobicContact CD2-CZ2 3.64Å; L195-A227 HydrophobicContact CD2-CB 3.77Å; L195-A227 HydrophobicContact CG-CB 4.28Å
196	A	88.5	Confident	87.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.8	-43	175.9	0	0	0	0	0	112.3	E175 R178 L179 F182 P192 A193 G199 F200	E175-A196 HydrophobicContact CG-CB 4.12Å; R178-A196 HydrophobicContact CB-CB 4.12Å; R178-A196 VanDerWaalsContact CZ-O 3.3Å; R178-A196 PolarHBondContact NE-O 3.04Å; R178-A196 PolarHBondContact NH2-O 3.37Å; L179-A196 HydrophobicContact CB-CB 3.87Å; L179-A196 HydrophobicContact CD1-CB 4.3Å; F182-A196 HydrophobicContact CE2-CB 4.36Å; P192-A196 VanDerWaalsContact O-CB 3.3Å; P192-A196 WeakPolarHBondContact O-CB 3.33Å; P192-A196 PolarHBondContact O-N 3.39Å; A193-A196 PolarHBondContact O-N 3.36Å; A196-G199 PolarHBondContact O-N 2.91Å; A196-F200 WeakPolarHBondContact CA-O 3.29Å
197	K	84.8	Confident	87.3	Confident	118 Å²	118	45.1 Å²	45.1	51%	0.513	27%	0.267	S	S	.	.	H	α-helix	trans	-68.2	-31.4	175.7	-171.4	174.6	-177.1	177.8	0	113.3	A193 L195 G199 F240	A193-K197 WeakPolarHBondContact O-CB 3.35Å; A193-K197 PolarHBondContact O-N 3.09Å; L195-K197 VanDerWaalsContact C-N 3.34Å; L195-K197 PolarHBondContact O-N 2.98Å; K197-G199 PolarHBondContact O-N 3.21Å; K197-F240 WeakPolarHBondContact O-CZ 3.43Å
198	A	85.9	Confident	87.6	Confident	1 Å²	1	48 Å²	48	1%	0.008	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	5.1	168.4	0	0	0	0	0	114	D194 L195 F200 A227 M228 H231 F240	D194-A198 WeakPolarHBondContact O-CB 3.36Å; D194-A198 PolarHBondContact O-N 3.06Å; L195-A198 CarbonylContact O-C 3.56Å; L195-A198 PolarHBondContact O-N 2.86Å; A198-F200 HydrophobicContact CB-CD2 3.82Å; A198-F200 HydrophobicContact CB-CE2 4.09Å; A198-A227 HydrophobicContact CB-CB 3.54Å; A198-M228 HydrophobicContact CB-CB 4.48Å; A198-M228 HydrophobicContact CB-CE 4.17Å; A198-M228 HydrophobicContact CB-SD 4.42Å; A198-H231 PolarHBondContact O-CE1 2.74Å; A198-H231 PolarHBondContact O-ND1 2.71Å; A198-F240 VanDerWaalsContact C-CE1 3.46Å; A198-F240 WeakPolarHBondContact O-CE1 3.29Å
199	G	89.1	Confident	88.1	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	11.6	176.8	0	0	0	0	0	114	L195 A196 K197 C211 F212	L195-G199 PolarHBondContact O-N 3Å; A196-G199 PolarHBondContact O-N 2.91Å; K197-G199 PolarHBondContact O-N 3.21Å; G199-C211 WeakPolarHBondContact O-CA 3.42Å; G199-F212 WeakPolarHBondContact O-CD1 3.49Å; G199-F212 PolarHBondContact O-N 3.07Å; G199-F212 VanDerWaalsContact O-N 3.11Å
200	F	94.1	Very high	88.5	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	148.5	179.1	-66	-66.1	0	0	0	113	R178 L195 A196 A198 V209 A210 C211 L218 W221 A227 H231	R178-F200 WeakPolarHBondContact CB-O 3.35Å; L195-F200 HydrophobicContact CD2-CD2 4.31Å; L195-F200 WeakPolarHBondContact O-CB 3.23Å; L195-F200 PolarHBondContact O-N 3.48Å; A196-F200 WeakPolarHBondContact CA-O 3.29Å; A198-F200 HydrophobicContact CB-CD2 3.82Å; A198-F200 HydrophobicContact CB-CE2 4.09Å; F200-V209 HydrophobicContact CB-CB 3.97Å; F200-V209 HydrophobicContact CB-CG2 3.87Å; F200-V209 HydrophobicContact CD1-CB 4.36Å; F200-V209 HydrophobicContact CD1-CG2 3.68Å; F200-V209 HydrophobicContact CD2-CG2 4.29Å; F200-V209 HydrophobicContact CE1-CG2 4.3Å; F200-V209 HydrophobicContact CG-CB 4.32Å; F200-V209 HydrophobicContact CG-CG2 3.7Å; F200-A210 CarbonylContact C-O 3.07Å; F200-A210 WeakPolarHBondContact CA-O 3.45Å; F200-C211 HydrophobicContact CD1-CB 4.08Å; F200-C211 HydrophobicContact CE1-CB 3.98Å; F200-L218 HydrophobicContact CE1-CD1 4.18Å; F200-L218 HydrophobicContact CE1-CG 4.37Å; F200-L218 HydrophobicContact CE2-CD1 4.06Å; F200-L218 HydrophobicContact CZ-CD1 3.49Å; F200-L218 VanDerWaalsContact CZ-CD1 3.49Å; F200-L218 HydrophobicContact CZ-CG 4.16Å; F200-W221 HydrophobicContact CE2-CH2 4.25Å; F200-A227 WeakPolarHBondContact CE2-O 3.46Å; F200-H231 HydrophobicContact CE2-CB 3.68Å; F200-H231 AromaticContact CE2-CG 3.87Å; F200-H231 AromaticContact CE2-ND1 3.91Å; F200-H231 HydrophobicContact CZ-CB 3.55Å; F200-H231 AromaticContact CZ-CD2 3.86Å; F200-H231 AromaticContact CZ-CG 3.46Å; F200-H231 VanDerWaalsContact CZ-CG 3.46Å; F200-H231 AromaticContact CZ-ND1 3.76Å
201	Y	92.8	Very high	88.9	Confident	42 Å²	42	36.4 Å²	36.4	17%	0.165	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	152.7	164.7	66	-87.9	0	0	0	110.3	N169 M172 L203 V209 A210 F212	N169-Y201 PolarHBondContact ND2-OH 3.2Å; M172-Y201 HydrophobicContact CB-CD1 3.82Å; M172-Y201 HydrophobicContact CB-CE1 4.15Å; M172-Y201 HydrophobicContact CB-CG 4.36Å; M172-Y201 HydrophobicContact CG-CD1 3.73Å; M172-Y201 HydrophobicContact CG-CD2 4.22Å; M172-Y201 HydrophobicContact CG-CE1 3.99Å; M172-Y201 HydrophobicContact CG-CE2 4.45Å; M172-Y201 HydrophobicContact CG-CG 3.85Å; M172-Y201 HydrophobicContact SD-CD1 4.46Å; M172-Y201 HydrophobicContact SD-CD2 4.38Å; M172-Y201 HydrophobicContact SD-CG 4.04Å; Y201-L203 HydrophobicContact CD2-CD2 4.28Å; Y201-L203 HydrophobicContact CE2-CD2 3.68Å; Y201-V209 CarbonylContact O-C 3.57Å; Y201-V209 VanDerWaalsContact O-CA 3.26Å; Y201-V209 WeakPolarHBondContact O-CA 3.45Å; Y201-V209 WeakPolarHBondContact O-CB 3.41Å; Y201-A210 WeakPolarHBondContact CD1-O 3.49Å; Y201-A210 HydrophobicContact CE1-CB 4.13Å; Y201-A210 WeakPolarHBondContact CE1-O 3.45Å; Y201-A210 HydrophobicContact CE2-CB 4.46Å; Y201-A210 PolarHBondContact N-O 3.05Å; Y201-A210 PolarHBondContact O-N 2.94Å; Y201-F212 HydrophobicContact CD1-CB 4.41Å; Y201-F212 HydrophobicContact CE1-CB 4.48Å
202	Y	93.9	Very high	89	Confident	20 Å²	20	35.1 Å²	35.1	8%	0.078	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	141.2	-177.9	-177.9	-142.7	0	0	0	111.8	T181 F182 S184 W185 G204 T205 A206 K208	T181-Y202 WeakPolarHBondContact O-CD1 3.42Å; T181-Y202 PolarHBondContact OG1-N 3.29Å; F182-Y202 HydrophobicContact CD1-CG 4.35Å; S184-Y202 WeakPolarHBondContact O-CE1 3.25Å; S184-Y202 PolarHBondContact O-OH 2.93Å; W185-Y202 AromaticContact CE3-CD2 3.49Å; W185-Y202 HydrophobicContact CE3-CD2 3.49Å; W185-Y202 VanDerWaalsContact CE3-CD2 3.49Å; W185-Y202 AromaticContact CE3-CE2 3.7Å; W185-Y202 HydrophobicContact CE3-CE2 3.7Å; W185-Y202 AromaticContact CE3-CG 3.96Å; W185-Y202 HydrophobicContact CE3-CG 3.96Å; W185-Y202 AromaticContact CZ3-CD2 3.65Å; W185-Y202 HydrophobicContact CZ3-CD2 3.65Å; W185-Y202 AromaticContact CZ3-CE2 3.91Å; W185-Y202 HydrophobicContact CZ3-CE2 3.91Å; W185-Y202 HydrophobicContact CZ3-CG 4.47Å; Y202-G204 VanDerWaalsContact CE1-CA 3.49Å; Y202-G204 VanDerWaalsContact CZ-CA 3.48Å; Y202-T205 PolarHBondContact OH-N 3.36Å; Y202-A206 VanDerWaalsContact CE2-O 3.28Å; Y202-A206 WeakPolarHBondContact CE2-O 3.44Å; Y202-A206 PolarHBondContact OH-O 3.19Å; Y202-A206 VanDerWaalsContact OH-O 3.06Å; Y202-K208 VanDerWaalsContact CD2-O 3.28Å; Y202-K208 WeakPolarHBondContact CD2-O 3.3Å
203	L	88.9	Confident	88.8	Confident	59 Å²	59	34.3 Å²	34.3	31%	0.309	20%	0.197	S	C	.	.			trans	-96	9.3	178.2	-60.7	-180	0	0	0	113.9	Y201 T205 K208 A210 H217	Y201-L203 HydrophobicContact CD2-CD2 4.28Å; Y201-L203 HydrophobicContact CE2-CD2 3.68Å; L203-T205 PolarHBondContact O-N 3.41Å; L203-K208 HydrophobicContact CB-CB 4.33Å; L203-K208 WeakPolarHBondContact CB-O 3.46Å; L203-K208 HydrophobicContact CD1-CB 4.19Å; L203-K208 PolarHBondContact N-O 2.9Å; L203-A210 HydrophobicContact CD1-CB 4.11Å; L203-A210 HydrophobicContact CD2-CB 3.87Å; L203-A210 HydrophobicContact CG-CB 4.19Å; L203-H217 VanDerWaalsContact CD1-CD2 3.42Å; L203-H217 WeakPolarHBondContact CD1-CD2 3.27Å
204	G	83.8	Confident	88.7	Confident	47 Å²	47	34.4 Å²	34.4	49%	0.485	20%	0.195	S	C	.	.	S	Bend	trans	70.6	7.7	176.2	0	0	0	0	0	115.4	Y202	Y202-G204 VanDerWaalsContact CE1-CA 3.49Å; Y202-G204 VanDerWaalsContact CZ-CA 3.48Å
205	T	83.9	Confident	88.8	Confident	80 Å²	80	31.3 Å²	31.3	49%	0.491	18%	0.182	S	C	.	.	S	Bend	trans	-138.2	128.3	-178.4	52.5	0	0	0	0	112	Y202 L203 D207 K208	Y202-T205 PolarHBondContact OH-N 3.36Å; L203-T205 PolarHBondContact O-N 3.41Å; T205-D207 PolarHBondContact O-N 2.86Å; T205-K208 VanDerWaalsContact O-CB 3.31Å; T205-K208 WeakPolarHBondContact O-CB 3.48Å; T205-K208 PolarHBondContact O-N 3.32Å; T205-K208 VanDerWaalsContact O-N 3.14Å
206	A	87.7	Confident	88.8	Confident	62 Å²	62	31.5 Å²	31.5	51%	0.512	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	-133.1	-174.7	0	0	0	0	0	111.5	P186 Y202	P186-A206 WeakPolarHBondContact CD-O 3.31Å; P186-A206 VanDerWaalsContact CG-O 3.24Å; P186-A206 WeakPolarHBondContact CG-O 3.44Å; Y202-A206 VanDerWaalsContact CE2-O 3.28Å; Y202-A206 WeakPolarHBondContact CE2-O 3.44Å; Y202-A206 PolarHBondContact OH-O 3.19Å; Y202-A206 VanDerWaalsContact OH-O 3.06Å
207	D	89.1	Confident	89	Confident	21 Å²	21	37 Å²	37	11%	0.112	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	24.4	175.3	68.3	-21.2	0	0	0	112.5	W185 L187 T205 V209 S219 N220 W221	W185-D207 HydrophobicContact CH2-CB 3.88Å; W185-D207 VanDerWaalsContact CH2-O 3.26Å; W185-D207 WeakPolarHBondContact CH2-O 3.42Å; W185-D207 HydrophobicContact CZ3-CB 4.25Å; W185-D207 WeakPolarHBondContact CZ3-O 3.29Å; L187-D207 HydrophobicContact CD1-CB 3.59Å; L187-D207 HydrophobicContact CG-CB 4.05Å; T205-D207 PolarHBondContact O-N 2.86Å; D207-V209 PolarHBondContact O-N 3.29Å; D207-S219 WeakPolarHBondContact OD1-CB 3.45Å; D207-N220 VanDerWaalsContact CG-N 3.33Å; D207-N220 PolarHBondContact OD1-N 3.32Å; D207-N220 WeakPolarHBondContact OD2-CA 3.45Å; D207-N220 PolarHBondContact OD2-N 2.84Å; D207-W221 PolarHBondContact O-NE1 2.9Å; D207-W221 PolarHBondContact OD2-N 2.84Å
208	K	90.7	Very high	89.2	Confident	99 Å²	99	32.2 Å²	32.2	43%	0.43	19%	0.19	S	C	.	.			trans	-79.2	123.6	-172.3	-65	175.6	174.6	-178.2	0	112.1	Y202 L203 T205 L218	Y202-K208 VanDerWaalsContact CD2-O 3.28Å; Y202-K208 WeakPolarHBondContact CD2-O 3.3Å; L203-K208 HydrophobicContact CB-CB 4.33Å; L203-K208 WeakPolarHBondContact CB-O 3.46Å; L203-K208 HydrophobicContact CD1-CB 4.19Å; L203-K208 PolarHBondContact N-O 2.9Å; T205-K208 VanDerWaalsContact O-CB 3.31Å; T205-K208 WeakPolarHBondContact O-CB 3.48Å; T205-K208 PolarHBondContact O-N 3.32Å; T205-K208 VanDerWaalsContact O-N 3.14Å; K208-L218 WeakPolarHBondContact CA-O 3.31Å
209	V	93.7	Very high	89.4	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	153.7	175.7	-54.8	0	0	0	0	111.6	F182 W185 L195 F200 Y201 D207 H217 L218 W221	F182-V209 HydrophobicContact CE1-CG1 3.81Å; F182-V209 HydrophobicContact CZ-CG1 4.15Å; W185-V209 HydrophobicContact CE3-CG1 4.46Å; W185-V209 HydrophobicContact CH2-CG1 3.7Å; W185-V209 HydrophobicContact CZ3-CG1 3.5Å; L195-V209 HydrophobicContact CD2-CG2 4.45Å; F200-V209 HydrophobicContact CB-CB 3.97Å; F200-V209 HydrophobicContact CB-CG2 3.87Å; F200-V209 HydrophobicContact CD1-CB 4.36Å; F200-V209 HydrophobicContact CD1-CG2 3.68Å; F200-V209 HydrophobicContact CD2-CG2 4.29Å; F200-V209 HydrophobicContact CE1-CG2 4.3Å; F200-V209 HydrophobicContact CG-CB 4.32Å; F200-V209 HydrophobicContact CG-CG2 3.7Å; Y201-V209 CarbonylContact O-C 3.57Å; Y201-V209 VanDerWaalsContact O-CA 3.26Å; Y201-V209 WeakPolarHBondContact O-CA 3.45Å; Y201-V209 WeakPolarHBondContact O-CB 3.41Å; D207-V209 PolarHBondContact O-N 3.29Å; V209-H217 VanDerWaalsContact O-CA 3.28Å; V209-H217 WeakPolarHBondContact O-CA 3.17Å; V209-L218 HydrophobicContact CG2-CB 4.16Å; V209-L218 PolarHBondContact N-O 2.87Å; V209-L218 PolarHBondContact O-N 2.95Å; V209-W221 HydrophobicContact CG2-CZ2 3.72Å
210	A	92.1	Very high	89.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.7	176.5	0	0	0	0	0	112.4	F200 Y201 L203 G216	F200-A210 CarbonylContact C-O 3.07Å; F200-A210 WeakPolarHBondContact CA-O 3.45Å; Y201-A210 WeakPolarHBondContact CD1-O 3.49Å; Y201-A210 HydrophobicContact CE1-CB 4.13Å; Y201-A210 WeakPolarHBondContact CE1-O 3.45Å; Y201-A210 HydrophobicContact CE2-CB 4.46Å; Y201-A210 PolarHBondContact N-O 3.05Å; Y201-A210 PolarHBondContact O-N 2.94Å; L203-A210 HydrophobicContact CD1-CB 4.11Å; L203-A210 HydrophobicContact CD2-CB 3.87Å; L203-A210 HydrophobicContact CG-CB 4.19Å; A210-G216 CarbonylContact C-O 3.54Å; A210-G216 WeakPolarHBondContact CA-O 3.43Å
211	C	93.2	Very high	89.1	Confident	2 Å²	2	42 Å²	42	1%	0.014	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	136.1	176.7	176.5	0	0	0	0	111.8	G199 F200 T213 C214 G215 G216 H231	G199-C211 WeakPolarHBondContact O-CA 3.42Å; F200-C211 HydrophobicContact CD1-CB 4.08Å; F200-C211 HydrophobicContact CE1-CB 3.98Å; C211-T213 VanDerWaalsContact C-N 3.3Å; C211-T213 PolarHBondContact O-N 3.11Å; C211-T213 PolarHBondContact SG-N 3.35Å; C211-T213 VanDerWaalsContact SG-N 3.42Å; C211-T213 PolarHBondContact SG-OG1 2.82Å; C211-C214 VanDerWaalsContact CB-SG 3.53Å; C211-G215 WeakPolarHBondContact O-CA 3.19Å; C211-G215 PolarHBondContact O-N 3.46Å; C211-G215 VanDerWaalsContact O-N 3.15Å; C211-G216 PolarHBondContact N-O 3.36Å; C211-H231 PolarHBondContact SG-CE1 2.89Å; C211-H231 PolarHBondContact SG-NE2 2.82Å
212	F	89.4	Confident	88.7	Confident	22 Å²	22	46 Å²	46	10%	0.096	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-16.6	-179.8	83.5	-86.2	0	0	0	115.8	C168 N169 M172 R178 G199 Y201 F240	C168-F212 CarbonylContact C-O 3.57Å; C168-F212 WeakPolarHBondContact CA-O 3.26Å; N169-F212 PolarHBondContact N-O 3.2Å; M172-F212 HydrophobicContact CB-CB 3.71Å; M172-F212 VanDerWaalsContact O-CB 3.29Å; M172-F212 WeakPolarHBondContact O-CB 3.44Å; M172-F212 VanDerWaalsContact O-CG 3.25Å; M172-F212 WeakPolarHBondContact O-CG 3.45Å; R178-F212 VanDerWaalsContact NH1-CE1 3.28Å; G199-F212 WeakPolarHBondContact O-CD1 3.49Å; G199-F212 PolarHBondContact O-N 3.07Å; G199-F212 VanDerWaalsContact O-N 3.11Å; Y201-F212 HydrophobicContact CD1-CB 4.41Å; Y201-F212 HydrophobicContact CE1-CB 4.48Å; F212-F240 AromaticContact CE1-CD2 3.53Å; F212-F240 HydrophobicContact CE1-CD2 3.53Å; F212-F240 AromaticContact CE1-CE2 3.87Å; F212-F240 HydrophobicContact CE1-CE2 3.87Å; F212-F240 HydrophobicContact CE1-CG 4.13Å; F212-F240 AromaticContact CZ-CD2 3.79Å; F212-F240 HydrophobicContact CZ-CD2 3.79Å; F212-F240 HydrophobicContact CZ-CE2 4.3Å
213	T	85.1	Confident	87.8	Confident	24 Å²	24	49.8 Å²	49.8	15%	0.147	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-50	-178.1	59.4	0	0	0	0	113.9	L167 C211 C238 F240	L167-T213 CarbonylContact C-O 3.48Å; C211-T213 VanDerWaalsContact C-N 3.3Å; C211-T213 PolarHBondContact O-N 3.11Å; C211-T213 PolarHBondContact SG-N 3.35Å; C211-T213 VanDerWaalsContact SG-N 3.42Å; C211-T213 PolarHBondContact SG-OG1 2.82Å; T213-C238 PolarHBondContact OG1-SG 3.21Å; T213-F240 HydrophobicContact CG2-CB 3.92Å; T213-F240 VanDerWaalsContact OG1-CB 3.23Å; T213-F240 WeakPolarHBondContact OG1-CB 3.32Å; T213-F240 PolarHBondContact OG1-N 3.31Å
214	C	85.1	Confident	87.4	Confident	43 Å²	43	56.4 Å²	56.4	29%	0.291	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-13	-178.1	69.3	0	0	0	0	113.7	C211 G216 C238	C211-C214 VanDerWaalsContact CB-SG 3.53Å; C214-G216 PolarHBondContact O-N 2.82Å; C214-G216 PolarHBondContact SG-N 2.74Å; C214-C238 HydrophobicContact CB-CB 3.84Å; C214-C238 VanDerWaalsContact CB-SG 3.59Å; C214-C238 PolarHBondContact SG-SG 3.23Å
215	G	85	Confident	86.9	Confident	17 Å²	17	56.3 Å²	56.3	18%	0.175	31%	0.306	C	S	.	.			trans	66.8	12.5	-172.3	0	0	0	0	0	114.2	C211 H217	C211-G215 WeakPolarHBondContact O-CA 3.19Å; C211-G215 PolarHBondContact O-N 3.46Å; C211-G215 VanDerWaalsContact O-N 3.15Å; G215-H217 PolarHBondContact O-CE1 2.77Å; G215-H217 VanDerWaalsContact O-CE1 3.27Å; G215-H217 PolarHBondContact O-ND1 3.31Å
216	G	87.9	Confident	86.9	Confident	5 Å²	5	56.4 Å²	56.4	5%	0.052	30%	0.304	C	S	.	.			trans	-65.1	135.4	176.2	0	0	0	0	0	111.7	A210 C211 C214 F235	A210-G216 CarbonylContact C-O 3.54Å; A210-G216 WeakPolarHBondContact CA-O 3.43Å; C211-G216 PolarHBondContact N-O 3.36Å; C214-G216 PolarHBondContact O-N 2.82Å; C214-G216 PolarHBondContact SG-N 2.74Å; G216-F235 VanDerWaalsContact CA-CE1 3.47Å; G216-F235 VanDerWaalsContact CA-CZ 3.42Å
217	H	92.5	Very high	86.8	Confident	114 Å²	114	53.5 Å²	53.5	53%	0.528	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	140.4	-177	-69.8	55.7	0	0	0	111.1	L203 V209 G215 F235	L203-H217 VanDerWaalsContact CD1-CD2 3.42Å; L203-H217 WeakPolarHBondContact CD1-CD2 3.27Å; V209-H217 VanDerWaalsContact O-CA 3.28Å; V209-H217 WeakPolarHBondContact O-CA 3.17Å; G215-H217 PolarHBondContact O-CE1 2.77Å; G215-H217 VanDerWaalsContact O-CE1 3.27Å; G215-H217 PolarHBondContact O-ND1 3.31Å; H217-F235 WeakPolarHBondContact O-CZ 3.39Å
218	L	89.9	Confident	86.4	Confident	19 Å²	19	53.7 Å²	53.7	10%	0.099	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	150.2	173.4	-68.4	-178.9	0	0	0	111.7	F200 K208 V209 W221 E230 H234 F235	F200-L218 HydrophobicContact CE1-CD1 4.18Å; F200-L218 HydrophobicContact CE1-CG 4.37Å; F200-L218 HydrophobicContact CE2-CD1 4.06Å; F200-L218 HydrophobicContact CZ-CD1 3.49Å; F200-L218 VanDerWaalsContact CZ-CD1 3.49Å; F200-L218 HydrophobicContact CZ-CG 4.16Å; K208-L218 WeakPolarHBondContact CA-O 3.31Å; V209-L218 HydrophobicContact CG2-CB 4.16Å; V209-L218 PolarHBondContact N-O 2.87Å; V209-L218 PolarHBondContact O-N 2.95Å; L218-W221 HydrophobicContact CB-CH2 4.21Å; L218-W221 HydrophobicContact CB-CZ2 3.58Å; L218-W221 HydrophobicContact CD1-CH2 3.5Å; L218-W221 HydrophobicContact CD1-CZ2 3.76Å; L218-W221 HydrophobicContact CD1-CZ3 4.35Å; L218-W221 HydrophobicContact CG-CZ2 4.33Å; L218-E230 HydrophobicContact CD1-CB 3.99Å; L218-H234 HydrophobicContact CD2-CB 3.94Å; L218-F235 HydrophobicContact CD2-CE2 3.88Å; L218-F235 HydrophobicContact CG-CE2 4.04Å
219	S	90	Very high	85.8	Confident	47 Å²	47	51.6 Å²	51.6	33%	0.329	28%	0.278	S	S	.	.			trans	-172	167.5	-178.9	57.9	0	0	0	0	110.9	D207	D207-S219 WeakPolarHBondContact OD1-CB 3.45Å
220	N	87.6	Confident	85.3	Confident	140 Å²	140	52.9 Å²	52.9	75%	0.749	28%	0.284	S	S	*	.	S	Bend	trans	65.9	49.4	-167.8	-40	-67.5	0	0	0	112.3	D207	D207-N220 VanDerWaalsContact CG-N 3.33Å; D207-N220 PolarHBondContact OD1-N 3.32Å; D207-N220 WeakPolarHBondContact OD2-CA 3.45Å; D207-N220 PolarHBondContact OD2-N 2.84Å
221	W	88.4	Confident	85	Confident	19 Å²	19	52.9 Å²	52.9	7%	0.072	28%	0.284	C	S	.	.			trans	-71.9	139.6	-178	-63.4	92.4	0	0	0	113	L187 F189 L190 L195 F200 D207 V209 L218 D225 A227 E230	L187-W221 HydrophobicContact CD1-CB 3.92Å; L187-W221 HydrophobicContact CD1-CG 4.46Å; F189-W221 HydrophobicContact CE2-CB 4.48Å; F189-W221 WeakPolarHBondContact CZ-O 3.39Å; L190-W221 HydrophobicContact CD1-CB 3.45Å; L190-W221 VanDerWaalsContact CD1-CB 3.45Å; L190-W221 HydrophobicContact CD1-CD2 3.73Å; L190-W221 HydrophobicContact CD1-CE3 3.67Å; L190-W221 HydrophobicContact CD1-CG 3.69Å; L195-W221 HydrophobicContact CD2-CH2 3.94Å; L195-W221 HydrophobicContact CD2-CZ2 3.64Å; F200-W221 HydrophobicContact CE2-CH2 4.25Å; D207-W221 PolarHBondContact O-NE1 2.9Å; D207-W221 PolarHBondContact OD2-N 2.84Å; V209-W221 HydrophobicContact CG2-CZ2 3.72Å; L218-W221 HydrophobicContact CB-CH2 4.21Å; L218-W221 HydrophobicContact CB-CZ2 3.58Å; L218-W221 HydrophobicContact CD1-CH2 3.5Å; L218-W221 HydrophobicContact CD1-CZ2 3.76Å; L218-W221 HydrophobicContact CD1-CZ3 4.35Å; L218-W221 HydrophobicContact CG-CZ2 4.33Å; W221-D225 HydrophobicContact CE3-CB 3.78Å; W221-D225 HydrophobicContact CZ3-CB 4.23Å; W221-A227 HydrophobicContact CH2-CB 4.24Å; W221-A227 HydrophobicContact CZ3-CB 4.47Å; W221-E230 HydrophobicContact CH2-CB 4.38Å; W221-E230 HydrophobicContact CZ3-CB 4Å; W221-E230 HydrophobicContact CZ3-CG 4.21Å
222	E	85.4	Confident	84.6	Confident	127 Å²	127	57 Å²	57	59%	0.593	30%	0.299	S	S	*	.			trans	-100.8	155.9	176.8	-65.9	-167.2	-173	0	0	113.3	F189 K224 D225	F189-E222 VanDerWaalsContact CE2-C 3.48Å; F189-E222 WeakPolarHBondContact CE2-O 3.44Å; E222-K224 PolarHBondContact O-N 2.63Å; E222-D225 PolarHBondContact N-OD2 3.35Å; E222-D225 PolarHBondContact O-N 3.28Å
223	P	75.6	Confident	84.1	Confident	99 Å²	99	64.3 Å²	64.3	64%	0.643	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	8.5	179.1	-24.7	35.6	0	0	0	117.7	F189	F189-P223 HydrophobicContact CD1-CG 4.22Å; F189-P223 HydrophobicContact CD2-CB 4.2Å; F189-P223 HydrophobicContact CD2-CG 4.32Å; F189-P223 HydrophobicContact CE1-CG 4.21Å; F189-P223 HydrophobicContact CE2-CG 4.31Å; F189-P223 HydrophobicContact CG-CB 4.22Å; F189-P223 HydrophobicContact CG-CG 4.27Å; F189-P223 HydrophobicContact CZ-CG 4.25Å
224	K	78.7	Confident	83.8	Confident	197 Å²	197	68 Å²	68	86%	0.857	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.1	-3.6	175.9	-67.8	-177.5	-179.9	175.7	0	113.3	E222	E222-K224 PolarHBondContact O-N 2.63Å
225	D	74	Confident	83.7	Confident	45 Å²	45	68.8 Å²	68.8	24%	0.241	34%	0.34	C	S	.	.			trans	-69.8	146	-176.2	-69.2	-17.3	0	0	0	111.4	W221 E222 E230	W221-D225 HydrophobicContact CE3-CB 3.78Å; W221-D225 HydrophobicContact CZ3-CB 4.23Å; E222-D225 PolarHBondContact N-OD2 3.35Å; E222-D225 PolarHBondContact O-N 3.28Å; D225-E230 HydrophobicContact CB-CG 4.28Å
226	N	84.8	Confident	83.5	Confident	82 Å²	82	71.7 Å²	71.7	44%	0.439	36%	0.356	S	S	.	.			trans	-111.4	123.4	168.2	-179.1	-82.9	0	0	0	109.3	M228 S229 E230	N226-M228 PolarHBondContact O-N 2.82Å; N226-M228 VanDerWaalsContact O-N 3.15Å; N226-M228 WeakPolarHBondContact OD1-CB 3.28Å; N226-M228 PolarHBondContact OD1-N 2.73Å; N226-S229 PolarHBondContact O-N 3.13Å; N226-S229 PolarHBondContact OD1-N 2.82Å; N226-S229 VanDerWaalsContact OD1-N 3.15Å; N226-E230 PolarHBondContact O-N 3.36Å
227	A	83.7	Confident	83.1	Confident	2 Å²	2	80.1 Å²	80.1	2%	0.017	39%	0.391	C	S	.	.	H	α-helix	trans	-53.1	-39.7	-176.6	0	0	0	0	0	113.4	L195 A198 F200 W221 H231	L195-A227 HydrophobicContact CD2-CB 3.77Å; L195-A227 HydrophobicContact CG-CB 4.28Å; A198-A227 HydrophobicContact CB-CB 3.54Å; F200-A227 WeakPolarHBondContact CE2-O 3.46Å; W221-A227 HydrophobicContact CH2-CB 4.24Å; W221-A227 HydrophobicContact CZ3-CB 4.47Å; A227-H231 VanDerWaalsContact O-CB 3.27Å; A227-H231 WeakPolarHBondContact O-CB 3.31Å; A227-H231 PolarHBondContact O-N 3.49Å
228	M	81.9	Confident	82.7	Confident	25 Å²	25	74.7 Å²	74.7	12%	0.123	37%	0.366	C	S	.	.	H	α-helix	trans	-73.8	-38.2	178.4	-165.1	68.6	72.1	0	0	112.5	A198 N226 R232 F240 L244	A198-M228 HydrophobicContact CB-CB 4.48Å; A198-M228 HydrophobicContact CB-CE 4.17Å; A198-M228 HydrophobicContact CB-SD 4.42Å; N226-M228 PolarHBondContact O-N 2.82Å; N226-M228 VanDerWaalsContact O-N 3.15Å; N226-M228 WeakPolarHBondContact OD1-CB 3.28Å; N226-M228 PolarHBondContact OD1-N 2.73Å; M228-R232 WeakPolarHBondContact O-CB 3.37Å; M228-R232 PolarHBondContact O-N 3.01Å; M228-F240 HydrophobicContact CE-CE1 4.26Å; M228-F240 HydrophobicContact SD-CE1 4.27Å; M228-L244 HydrophobicContact CE-CD2 3.23Å; M228-L244 HydrophobicContact SD-CD2 3.77Å
229	S	78.8	Confident	82.3	Confident	54 Å²	54	76.9 Å²	76.9	38%	0.378	38%	0.382	S	S	.	.	H	α-helix	trans	-62.6	-48.3	176.2	-64.4	0	0	0	0	111.4	N226 H231 R232 R233	N226-S229 PolarHBondContact O-N 3.13Å; N226-S229 PolarHBondContact OD1-N 2.82Å; N226-S229 VanDerWaalsContact OD1-N 3.15Å; S229-H231 PolarHBondContact O-N 2.89Å; S229-R232 PolarHBondContact O-N 3.25Å; S229-R233 WeakPolarHBondContact O-CB 3.32Å; S229-R233 PolarHBondContact O-N 3.5Å
230	E	81.8	Confident	81.8	Confident	27 Å²	27	75.9 Å²	75.9	13%	0.126	37%	0.371	C	S	.	.	H	α-helix	trans	-71.9	-32.2	-179.2	-59.8	-44	106.4	0	0	111.9	L218 W221 D225 N226 R232 R233 H234	L218-E230 HydrophobicContact CD1-CB 3.99Å; W221-E230 HydrophobicContact CH2-CB 4.38Å; W221-E230 HydrophobicContact CZ3-CB 4Å; W221-E230 HydrophobicContact CZ3-CG 4.21Å; D225-E230 HydrophobicContact CB-CG 4.28Å; N226-E230 PolarHBondContact O-N 3.36Å; E230-R232 PolarHBondContact O-N 3.1Å; E230-R233 PolarHBondContact O-N 3.33Å; E230-R233 IonicContact OE1-NH1 3.84Å; E230-R233 WeakPolarHBondContact OE2-CD 3.22Å; E230-R233 IonicContact OE2-CZ 3.67Å; E230-R233 IonicContact OE2-NE 3.36Å; E230-R233 IonicContact OE2-NH1 2.76Å; E230-R233 PolarHBondContact OE2-NH1 3.21Å; E230-H234 WeakPolarHBondContact O-CB 3.16Å; E230-H234 PolarHBondContact O-CD2 3.4Å; E230-H234 PolarHBondContact O-N 3.15Å; E230-H234 IonicContact OE2-CD2 2.81Å; E230-H234 IonicContact OE2-NE2 3.16Å
231	H	87.3	Confident	81.4	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-57.7	-48.2	167.9	-164.3	173.6	0	0	0	111.6	A198 F200 C211 A227 S229 F235 C238 F240 V241	A198-H231 PolarHBondContact O-CE1 2.74Å; A198-H231 PolarHBondContact O-ND1 2.71Å; F200-H231 HydrophobicContact CE2-CB 3.68Å; F200-H231 AromaticContact CE2-CG 3.87Å; F200-H231 AromaticContact CE2-ND1 3.91Å; F200-H231 HydrophobicContact CZ-CB 3.55Å; F200-H231 AromaticContact CZ-CD2 3.86Å; F200-H231 AromaticContact CZ-CG 3.46Å; F200-H231 VanDerWaalsContact CZ-CG 3.46Å; F200-H231 AromaticContact CZ-ND1 3.76Å; C211-H231 PolarHBondContact SG-CE1 2.89Å; C211-H231 PolarHBondContact SG-NE2 2.82Å; A227-H231 VanDerWaalsContact O-CB 3.27Å; A227-H231 WeakPolarHBondContact O-CB 3.31Å; A227-H231 PolarHBondContact O-N 3.49Å; S229-H231 PolarHBondContact O-N 2.89Å; H231-F235 CarbonylContact O-C 3.56Å; H231-F235 WeakPolarHBondContact O-CA 3.26Å; H231-F235 PolarHBondContact O-N 2.9Å; H231-C238 PolarHBondContact NE2-SG 2.76Å; H231-F240 AromaticContact CE1-CD1 3.78Å; H231-V241 HydrophobicContact CB-CG2 4.3Å
232	R	84.1	Confident	80.8	Confident	88 Å²	88	72.6 Å²	72.6	33%	0.332	35%	0.353	S	S	.	.	H	α-helix	trans	-67.7	-35.4	178.9	-174.2	-178.7	-65.8	124.6	-3.9	112.5	M228 S229 E230 P236 V241	M228-R232 WeakPolarHBondContact O-CB 3.37Å; M228-R232 PolarHBondContact O-N 3.01Å; S229-R232 PolarHBondContact O-N 3.25Å; E230-R232 PolarHBondContact O-N 3.1Å; R232-P236 VanDerWaalsContact O-CA 3.28Å; R232-P236 WeakPolarHBondContact O-CA 3.31Å; R232-P236 WeakPolarHBondContact O-CB 3.45Å; R232-P236 WeakPolarHBondContact O-CD 3.37Å; R232-V241 HydrophobicContact CB-CG1 3.88Å; R232-V241 HydrophobicContact CG-CG1 3.83Å
233	R	78.9	Confident	79.8	Confident	177 Å²	177	70 Å²	70	67%	0.668	34%	0.343	S	S	*	.	H	α-helix	trans	-69.3	-46.9	179.2	-173	-169	-169.5	175.1	-0.5	112.3	S229 E230	S229-R233 WeakPolarHBondContact O-CB 3.32Å; S229-R233 PolarHBondContact O-N 3.5Å; E230-R233 PolarHBondContact O-N 3.33Å; E230-R233 IonicContact OE1-NH1 3.84Å; E230-R233 WeakPolarHBondContact OE2-CD 3.22Å; E230-R233 IonicContact OE2-CZ 3.67Å; E230-R233 IonicContact OE2-NE 3.36Å; E230-R233 IonicContact OE2-NH1 2.76Å; E230-R233 PolarHBondContact OE2-NH1 3.21Å
234	H	77.6	Confident	78.9	Confident	102 Å²	102	66.7 Å²	66.7	47%	0.472	32%	0.319	S	S	.	.	H	α-helix	trans	-88.9	-29.6	-175.1	-73.1	-87.7	0	0	0	113.4	L218 E230 P236	L218-H234 HydrophobicContact CD2-CB 3.94Å; E230-H234 WeakPolarHBondContact O-CB 3.16Å; E230-H234 PolarHBondContact O-CD2 3.4Å; E230-H234 PolarHBondContact O-N 3.15Å; E230-H234 IonicContact OE2-CD2 2.81Å; E230-H234 IonicContact OE2-NE2 3.16Å; H234-P236 VanDerWaalsContact C-CD 3.45Å
235	F	83.8	Confident	77.4	Confident	59 Å²	59	60 Å²	60	26%	0.259	30%	0.295	S	S	.	.			trans	-130.5	60.6	179.5	-49.6	-77.5	0	0	0	111.9	G216 H217 L218 H231 K237 C238	G216-F235 VanDerWaalsContact CA-CE1 3.47Å; G216-F235 VanDerWaalsContact CA-CZ 3.42Å; H217-F235 WeakPolarHBondContact O-CZ 3.39Å; L218-F235 HydrophobicContact CD2-CE2 3.88Å; L218-F235 HydrophobicContact CG-CE2 4.04Å; H231-F235 CarbonylContact O-C 3.56Å; H231-F235 WeakPolarHBondContact O-CA 3.26Å; H231-F235 PolarHBondContact O-N 2.9Å; F235-K237 PolarHBondContact O-N 2.8Å; F235-K237 VanDerWaalsContact O-N 3.13Å; F235-C238 HydrophobicContact CB-CB 4.09Å; F235-C238 WeakPolarHBondContact O-CB 3.28Å; F235-C238 PolarHBondContact O-N 3.42Å
236	P	80.9	Confident	76.2	Confident	78 Å²	78	65.1 Å²	65.1	51%	0.506	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.1	-176.8	23.5	-34.2	0	0	0	114.1	R232 H234 C238	R232-P236 VanDerWaalsContact O-CA 3.28Å; R232-P236 WeakPolarHBondContact O-CA 3.31Å; R232-P236 WeakPolarHBondContact O-CB 3.45Å; R232-P236 WeakPolarHBondContact O-CD 3.37Å; H234-P236 VanDerWaalsContact C-CD 3.45Å; P236-C238 VanDerWaalsContact C-N 3.32Å
237	K	80.3	Confident	74.2	Confident	181 Å²	181	67.7 Å²	67.7	79%	0.787	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	26.6	175.8	-58.6	-174.2	178.3	-175.2	0	113.3	F235 E242	F235-K237 PolarHBondContact O-N 2.8Å; F235-K237 VanDerWaalsContact O-N 3.13Å; K237-E242 WeakPolarHBondContact CA-OE1 3.49Å
238	C	84.2	Confident	72.4	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.007	35%	0.347	C	S	.	.			trans	-81.8	125.2	177.5	170.6	0	0	0	0	109.5	T213 C214 H231 F235 P236 F240 V241 E242	T213-C238 PolarHBondContact OG1-SG 3.21Å; C214-C238 HydrophobicContact CB-CB 3.84Å; C214-C238 VanDerWaalsContact CB-SG 3.59Å; C214-C238 PolarHBondContact SG-SG 3.23Å; H231-C238 PolarHBondContact NE2-SG 2.76Å; F235-C238 HydrophobicContact CB-CB 4.09Å; F235-C238 WeakPolarHBondContact O-CB 3.28Å; F235-C238 PolarHBondContact O-N 3.42Å; P236-C238 VanDerWaalsContact C-N 3.32Å; C238-F240 PolarHBondContact O-N 2.95Å; C238-F240 VanDerWaalsContact O-N 3.11Å; C238-V241 HydrophobicContact CB-CB 3.95Å; C238-V241 HydrophobicContact CB-CG2 3.75Å; C238-V241 CarbonylContact O-C 3.6Å; C238-V241 WeakPolarHBondContact O-CA 3.49Å; C238-V241 PolarHBondContact O-N 3.2Å; C238-E242 WeakPolarHBondContact O-CG 3.46Å; C238-E242 PolarHBondContact O-N 3.48Å
239	P	79.9	Confident	70.5	Confident	64 Å²	64	75.2 Å²	75.2	42%	0.416	36%	0.362	S	S	.	.	H	α-helix	trans	-57.2	-30.6	-179	-28.3	36.4	0	0	0	114.3	N243	P239-N243 VanDerWaalsContact O-CB 3.28Å; P239-N243 WeakPolarHBondContact O-CB 3.44Å; P239-N243 PolarHBondContact O-N 3.08Å; P239-N243 PolarHBondContact O-ND2 3.49Å
240	F	80.9	Confident	69.1	Low	26 Å²	26	79.7 Å²	79.7	11%	0.114	38%	0.381	C	S	.	.	H	α-helix	trans	-68.3	-43.5	171.8	177	-95.9	0	0	0	112.2	K197 A198 F212 T213 M228 H231 C238 N243 L244	K197-F240 WeakPolarHBondContact O-CZ 3.43Å; A198-F240 VanDerWaalsContact C-CE1 3.46Å; A198-F240 WeakPolarHBondContact O-CE1 3.29Å; F212-F240 AromaticContact CE1-CD2 3.53Å; F212-F240 HydrophobicContact CE1-CD2 3.53Å; F212-F240 AromaticContact CE1-CE2 3.87Å; F212-F240 HydrophobicContact CE1-CE2 3.87Å; F212-F240 HydrophobicContact CE1-CG 4.13Å; F212-F240 AromaticContact CZ-CD2 3.79Å; F212-F240 HydrophobicContact CZ-CD2 3.79Å; F212-F240 HydrophobicContact CZ-CE2 4.3Å; T213-F240 HydrophobicContact CG2-CB 3.92Å; T213-F240 VanDerWaalsContact OG1-CB 3.23Å; T213-F240 WeakPolarHBondContact OG1-CB 3.32Å; T213-F240 PolarHBondContact OG1-N 3.31Å; M228-F240 HydrophobicContact CE-CE1 4.26Å; M228-F240 HydrophobicContact SD-CE1 4.27Å; H231-F240 AromaticContact CE1-CD1 3.78Å; C238-F240 PolarHBondContact O-N 2.95Å; C238-F240 VanDerWaalsContact O-N 3.11Å; F240-N243 PolarHBondContact O-N 2.93Å; F240-L244 HydrophobicContact CD1-CD1 4.35Å; F240-L244 HydrophobicContact CD2-CD1 4.04Å; F240-L244 HydrophobicContact CE1-CD1 4.01Å; F240-L244 HydrophobicContact CE1-CD2 4Å; F240-L244 HydrophobicContact CE2-CD1 3.68Å; F240-L244 HydrophobicContact CG-CD1 4.36Å; F240-L244 HydrophobicContact CZ-CD1 3.66Å; F240-L244 HydrophobicContact CZ-CD2 3.97Å; F240-L244 HydrophobicContact CZ-CG 4.49Å; F240-L244 WeakPolarHBondContact O-CD1 3.39Å; F240-L244 PolarHBondContact O-N 3.08Å
241	V	79.1	Confident	67.7	Low	2 Å²	2	80.2 Å²	80.2	1%	0.012	38%	0.383	C	S	.	.	H	α-helix	trans	-67.4	-43.2	176.8	177.9	0	0	0	0	110.8	H231 R232 C238 N243 L244 T245	H231-V241 HydrophobicContact CB-CG2 4.3Å; R232-V241 HydrophobicContact CB-CG1 3.88Å; R232-V241 HydrophobicContact CG-CG1 3.83Å; C238-V241 HydrophobicContact CB-CB 3.95Å; C238-V241 HydrophobicContact CB-CG2 3.75Å; C238-V241 CarbonylContact O-C 3.6Å; C238-V241 WeakPolarHBondContact O-CA 3.49Å; C238-V241 PolarHBondContact O-N 3.2Å; V241-N243 VanDerWaalsContact C-N 3.31Å; V241-N243 PolarHBondContact O-N 2.72Å; V241-L244 CarbonylContact O-C 3.5Å; V241-L244 PolarHBondContact O-N 2.9Å; V241-T245 PolarHBondContact O-N 2.98Å; V241-T245 PolarHBondContact O-OG1 2.99Å; V241-T245 VanDerWaalsContact O-OG1 3.13Å
242	E	75	Confident	66.2	Low	89 Å²	89	86.4 Å²	86.4	42%	0.416	42%	0.416	S	S	.	.	H	α-helix	trans	-61.2	-39.5	177	-71	179.3	171	0	0	111.6	K237 C238 T245 R246	K237-E242 WeakPolarHBondContact CA-OE1 3.49Å; C238-E242 WeakPolarHBondContact O-CG 3.46Å; C238-E242 PolarHBondContact O-N 3.48Å; E242-T245 VanDerWaalsContact CA-OG1 3.28Å; E242-T245 WeakPolarHBondContact CA-OG1 3.5Å; E242-T245 PolarHBondContact O-N 3.46Å; E242-T245 PolarHBondContact O-OG1 3.49Å; E242-R246 PolarHBondContact O-N 3.05Å
243	N	63.6	Low	65.2	Low	72 Å²	72	83.3 Å²	83.3	39%	0.385	41%	0.407	S	S	.	.	H	α-helix	trans	-68	-42.6	172.2	-71.6	-13	0	0	0	112.1	P239 F240 V241 T245 R246 D247	P239-N243 VanDerWaalsContact O-CB 3.28Å; P239-N243 WeakPolarHBondContact O-CB 3.44Å; P239-N243 PolarHBondContact O-N 3.08Å; P239-N243 PolarHBondContact O-ND2 3.49Å; F240-N243 PolarHBondContact O-N 2.93Å; V241-N243 VanDerWaalsContact C-N 3.31Å; V241-N243 PolarHBondContact O-N 2.72Å; N243-T245 VanDerWaalsContact C-N 3.31Å; N243-T245 PolarHBondContact O-N 3.29Å; N243-R246 WeakPolarHBondContact O-CA 3.48Å; N243-R246 WeakPolarHBondContact O-CB 3.38Å; N243-R246 PolarHBondContact O-N 3.01Å; N243-R246 PolarHBondContact OD1-NH2 2.96Å; N243-D247 PolarHBondContact O-N 3.09Å; N243-D247 VanDerWaalsContact O-N 3.15Å
244	L	57	Low	64.5	Low	29 Å²	29	77.8 Å²	77.8	15%	0.152	40%	0.396	C	S	.	.	H	α-helix	trans	-68.2	-27.7	174.7	-95.2	74.5	0	0	0	113	M228 F240 V241 R246 D247 Q248	M228-L244 HydrophobicContact CE-CD2 3.23Å; M228-L244 HydrophobicContact SD-CD2 3.77Å; F240-L244 HydrophobicContact CD1-CD1 4.35Å; F240-L244 HydrophobicContact CD2-CD1 4.04Å; F240-L244 HydrophobicContact CE1-CD1 4.01Å; F240-L244 HydrophobicContact CE1-CD2 4Å; F240-L244 HydrophobicContact CE2-CD1 3.68Å; F240-L244 HydrophobicContact CG-CD1 4.36Å; F240-L244 HydrophobicContact CZ-CD1 3.66Å; F240-L244 HydrophobicContact CZ-CD2 3.97Å; F240-L244 HydrophobicContact CZ-CG 4.49Å; F240-L244 WeakPolarHBondContact O-CD1 3.39Å; F240-L244 PolarHBondContact O-N 3.08Å; V241-L244 CarbonylContact O-C 3.5Å; V241-L244 PolarHBondContact O-N 2.9Å; L244-R246 PolarHBondContact O-N 2.93Å; L244-D247 PolarHBondContact O-N 3.1Å; L244-Q248 WeakPolarHBondContact O-CA 3.22Å; L244-Q248 WeakPolarHBondContact O-CB 3.38Å; L244-Q248 WeakPolarHBondContact O-CG 3.31Å; L244-Q248 PolarHBondContact O-N 3.37Å
245	T	48.2	Very low	64.1	Low	57 Å²	57	74.8 Å²	74.8	35%	0.35	38%	0.383	S	S	.	.	H	α-helix	trans	-73.4	-7.3	168.8	50.1	0	0	0	0	113.4	V241 E242 N243 L249	V241-T245 PolarHBondContact O-N 2.98Å; V241-T245 PolarHBondContact O-OG1 2.99Å; V241-T245 VanDerWaalsContact O-OG1 3.13Å; E242-T245 VanDerWaalsContact CA-OG1 3.28Å; E242-T245 WeakPolarHBondContact CA-OG1 3.5Å; E242-T245 PolarHBondContact O-N 3.46Å; E242-T245 PolarHBondContact O-OG1 3.49Å; N243-T245 VanDerWaalsContact C-N 3.31Å; N243-T245 PolarHBondContact O-N 3.29Å; T245-L249 WeakPolarHBondContact O-CD2 3.3Å; T245-L249 WeakPolarHBondContact O-CG 3.48Å
246	R	48.1	Very low	63.4	Low	153 Å²	153	76.9 Å²	76.9	58%	0.577	40%	0.4	S	S	*	.	H	α-helix	trans	-84.7	-45.7	169.2	-146.9	-173.7	-54.6	-138.7	3	110.6	E242 N243 L244	E242-R246 PolarHBondContact O-N 3.05Å; N243-R246 WeakPolarHBondContact O-CA 3.48Å; N243-R246 WeakPolarHBondContact O-CB 3.38Å; N243-R246 PolarHBondContact O-N 3.01Å; N243-R246 PolarHBondContact OD1-NH2 2.96Å; L244-R246 PolarHBondContact O-N 2.93Å
247	D	44.1	Very low	63	Low	136 Å²	136	76.8 Å²	76.8	73%	0.727	40%	0.402	S	S	*	.	H	α-helix	trans	-87.5	-18.9	-176.9	-62.6	-22.5	0	0	0	114	N243 L244	N243-D247 PolarHBondContact O-N 3.09Å; N243-D247 VanDerWaalsContact O-N 3.15Å; L244-D247 PolarHBondContact O-N 3.1Å
248	Q	44	Very low	63.1	Low	102 Å²	102	69.7 Å²	69.7	48%	0.477	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	42.8	177	-55.1	-175.4	-20.8	0	0	111.9	L244 N250	L244-Q248 WeakPolarHBondContact O-CA 3.22Å; L244-Q248 WeakPolarHBondContact O-CB 3.38Å; L244-Q248 WeakPolarHBondContact O-CG 3.31Å; L244-Q248 PolarHBondContact O-N 3.37Å; Q248-N250 PolarHBondContact O-N 2.91Å; Q248-N250 VanDerWaalsContact O-N 3.14Å
249	L	43.9	Very low	62.6	Low	83 Å²	83	73.1 Å²	73.1	44%	0.435	39%	0.388	S	S	.	.			trans	-67.6	110.5	164.6	-71.8	177.2	0	0	0	109.1	T245 F251	T245-L249 WeakPolarHBondContact O-CD2 3.3Å; T245-L249 WeakPolarHBondContact O-CG 3.48Å; L249-F251 VanDerWaalsContact C-N 3.32Å; L249-F251 PolarHBondContact O-N 3.28Å
250	N	47.5	Very low	62.6	Low	147 Å²	147	74.2 Å²	74.2	79%	0.786	39%	0.393	S	S	*	.			trans	-64.8	95.4	164.6	-77.4	-15.2	0	0	0	108.4	Q248	Q248-N250 PolarHBondContact O-N 2.91Å; Q248-N250 VanDerWaalsContact O-N 3.14Å
251	F	52.6	Low	62.7	Low	38 Å²	38	76.2 Å²	76.2	17%	0.167	40%	0.403	C	S	.	.			trans	-55.5	158.6	157.7	-45.9	-77.8	0	0	0	109.1	L249 V253 F299 E326 Y327 H330	L249-F251 VanDerWaalsContact C-N 3.32Å; L249-F251 PolarHBondContact O-N 3.28Å; F251-V253 HydrophobicContact CB-CG2 3.83Å; F251-V253 HydrophobicContact CD2-CG2 4.37Å; F251-V253 WeakPolarHBondContact O-CG2 3.11Å; F251-V253 PolarHBondContact O-N 3.13Å; F251-F299 HydrophobicContact CD2-CE2 4.32Å; F251-F299 HydrophobicContact CD2-CZ 4.38Å; F251-F299 HydrophobicContact CE2-CZ 4.49Å; F251-E326 WeakPolarHBondContact CA-OE2 3.31Å; F251-E326 HydrophobicContact CB-CB 4.48Å; F251-E326 HydrophobicContact CD1-CB 3.85Å; F251-Y327 HydrophobicContact CE1-CD2 4.41Å; F251-Y327 AromaticContact CE2-CD2 3.99Å; F251-Y327 HydrophobicContact CE2-CD2 3.99Å; F251-Y327 AromaticContact CZ-CD2 3.84Å; F251-Y327 HydrophobicContact CZ-CD2 3.84Å; F251-H330 HydrophobicContact CE1-CB 3.87Å; F251-H330 HydrophobicContact CZ-CB 4.46Å
252	N	56.1	Low	62.9	Low	130 Å²	130	81.8 Å²	81.8	70%	0.695	43%	0.429	S	S	*	.			trans	-71.9	76.4	164.7	-164.4	-2.7	0	0	0	109.2	S254 E326	N252-S254 PolarHBondContact O-N 3.02Å; N252-E326 PolarHBondContact N-OE2 3.08Å
253	V	62.5	Low	63.1	Low	24 Å²	24	78.6 Å²	78.6	15%	0.145	42%	0.417	C	S	.	.			trans	-74.7	109.8	-168.5	173.8	0	0	0	0	111.2	F251 N255 V256 Q259 F299	F251-V253 HydrophobicContact CB-CG2 3.83Å; F251-V253 HydrophobicContact CD2-CG2 4.37Å; F251-V253 WeakPolarHBondContact O-CG2 3.11Å; F251-V253 PolarHBondContact O-N 3.13Å; V253-N255 VanDerWaalsContact C-N 3.28Å; V253-N255 WeakPolarHBondContact CG1-O 3.45Å; V253-N255 PolarHBondContact O-N 2.78Å; V253-V256 HydrophobicContact CB-CG2 4.43Å; V253-V256 HydrophobicContact CG1-CB 4.47Å; V253-V256 HydrophobicContact CG1-CG2 4.11Å; V253-Q259 HydrophobicContact CG2-CG 4.48Å; V253-F299 HydrophobicContact CG1-CD2 3.86Å; V253-F299 HydrophobicContact CG1-CE2 4.4Å; V253-F299 HydrophobicContact CG2-CD2 4.3Å; V253-F299 HydrophobicContact CG2-CE2 4.02Å
254	S	66.2	Low	64.4	Low	61 Å²	61	75.3 Å²	75.3	43%	0.427	40%	0.4	S	S	.	.	S	Bend	trans	-64.8	-25.9	175.7	-63.5	0	0	0	0	114.3	N252 F299 C300	N252-S254 PolarHBondContact O-N 3.02Å; S254-F299 PolarHBondContact N-O 3.37Å; S254-F299 VanDerWaalsContact N-O 3.17Å; S254-C300 WeakPolarHBondContact CB-O 3.1Å; S254-C300 PolarHBondContact N-O 2.9Å; S254-C300 PolarHBondContact OG-O 3.17Å
255	N	67.7	Low	65.9	Low	39 Å²	39	76.7 Å²	76.7	21%	0.209	41%	0.409	C	S	.	.			trans	-141.1	96	173.4	-174.8	-6.8	0	0	0	112.4	V253 S257 M258 Y288 F299	V253-N255 VanDerWaalsContact C-N 3.28Å; V253-N255 WeakPolarHBondContact CG1-O 3.45Å; V253-N255 PolarHBondContact O-N 2.78Å; N255-S257 VanDerWaalsContact C-N 3.27Å; N255-S257 PolarHBondContact O-N 3.39Å; N255-S257 PolarHBondContact OD1-N 2.78Å; N255-S257 PolarHBondContact OD1-OG 2.67Å; N255-M258 HydrophobicContact CB-CB 4.47Å; N255-M258 WeakPolarHBondContact ND2-CG 3.31Å; N255-M258 PolarHBondContact O-N 3.22Å; N255-M258 VanDerWaalsContact O-N 3.07Å; N255-Y288 HydrophobicContact CB-CE1 4.37Å; N255-Y288 VanDerWaalsContact ND2-CZ 3.34Å; N255-Y288 PolarHBondContact ND2-OH 2.69Å; N255-F299 PolarHBondContact N-O 2.81Å
256	V	70.3	Confident	67.9	Low	102 Å²	102	79.6 Å²	79.6	62%	0.618	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-60.7	-34.1	-176.5	-177.2	0	0	0	0	112.3	V253 M258 Q259	V253-V256 HydrophobicContact CB-CG2 4.43Å; V253-V256 HydrophobicContact CG1-CB 4.47Å; V253-V256 HydrophobicContact CG1-CG2 4.11Å; V256-M258 PolarHBondContact O-N 3.34Å; V256-M258 VanDerWaalsContact O-N 3.12Å; V256-Q259 WeakPolarHBondContact O-CB 3.35Å; V256-Q259 PolarHBondContact O-N 3.04Å
257	S	72.4	Confident	69.7	Low	77 Å²	77	74 Å²	74	54%	0.538	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-63.5	-20.1	178.5	72.3	0	0	0	0	113.8	N255 A263	N255-S257 VanDerWaalsContact C-N 3.27Å; N255-S257 PolarHBondContact O-N 3.39Å; N255-S257 PolarHBondContact OD1-N 2.78Å; N255-S257 PolarHBondContact OD1-OG 2.67Å; S257-A263 WeakPolarHBondContact O-CB 3.43Å
258	M	82.4	Confident	72	Confident	31 Å²	31	68.1 Å²	68.1	15%	0.153	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-107.7	12.6	-177.7	-64	-63.2	130.6	0	0	113.1	N255 V256 T260 A263 R264 T267 Y288 F299	N255-M258 HydrophobicContact CB-CB 4.47Å; N255-M258 WeakPolarHBondContact ND2-CG 3.31Å; N255-M258 PolarHBondContact O-N 3.22Å; N255-M258 VanDerWaalsContact O-N 3.07Å; V256-M258 PolarHBondContact O-N 3.34Å; V256-M258 VanDerWaalsContact O-N 3.12Å; M258-T260 PolarHBondContact O-N 2.84Å; M258-A263 HydrophobicContact SD-CB 4.48Å; M258-R264 HydrophobicContact CB-CG 4.16Å; M258-R264 WeakPolarHBondContact O-CD 3.37Å; M258-R264 WeakPolarHBondContact O-CG 3.31Å; M258-R264 PolarHBondContact O-NH1 3.2Å; M258-T267 HydrophobicContact CE-CG2 4.02Å; M258-T267 HydrophobicContact SD-CG2 3.55Å; M258-T267 VanDerWaalsContact SD-CG2 3.55Å; M258-Y288 HydrophobicContact CB-CD1 3.67Å; M258-Y288 HydrophobicContact CB-CE1 4.03Å; M258-Y288 HydrophobicContact CB-CG 4.1Å; M258-Y288 HydrophobicContact CG-CD1 3.63Å; M258-Y288 HydrophobicContact CG-CD2 3.93Å; M258-Y288 HydrophobicContact CG-CE1 3.89Å; M258-Y288 HydrophobicContact CG-CE2 4.17Å; M258-Y288 HydrophobicContact CG-CG 3.66Å; M258-Y288 HydrophobicContact SD-CD1 4.47Å; M258-Y288 HydrophobicContact SD-CD2 4.11Å; M258-Y288 HydrophobicContact SD-CG 3.94Å; M258-F299 HydrophobicContact CB-CB 3.68Å; M258-F299 VanDerWaalsContact O-CB 3.28Å; M258-F299 WeakPolarHBondContact O-CB 3.44Å; M258-F299 WeakPolarHBondContact O-CG 3.14Å
259	Q	73.9	Confident	73.9	Confident	74 Å²	74	69.9 Å²	69.9	35%	0.346	38%	0.379	S	S	.	.			trans	-64.6	-36.6	-179.3	-172.1	176.6	7	0	0	113	V253 V256 R264 F299	V253-Q259 HydrophobicContact CG2-CG 4.48Å; V256-Q259 WeakPolarHBondContact O-CB 3.35Å; V256-Q259 PolarHBondContact O-N 3.04Å; Q259-R264 PolarHBondContact O-NH1 3.02Å; Q259-F299 HydrophobicContact CB-CD2 4.23Å; Q259-F299 HydrophobicContact CB-CE2 4.32Å; Q259-F299 HydrophobicContact CG-CD2 4.42Å; Q259-F299 HydrophobicContact CG-CE2 4.01Å
260	T	78.4	Confident	75.5	Confident	86 Å²	86	72 Å²	72	53%	0.528	39%	0.391	S	S	.	.	S	Bend	trans	-83.5	140	178.4	69.8	0	0	0	0	111.5	M258 E262 A263 R264	M258-T260 PolarHBondContact O-N 2.84Å; T260-E262 PolarHBondContact O-N 3.27Å; T260-A263 PolarHBondContact O-N 3.2Å; T260-A263 VanDerWaalsContact OG1-CB 3.26Å; T260-A263 WeakPolarHBondContact OG1-CB 3.35Å; T260-A263 PolarHBondContact OG1-N 2.92Å; T260-R264 PolarHBondContact O-N 3.43Å
261	H	84.3	Confident	77.2	Confident	68 Å²	68	66.1 Å²	66.1	32%	0.315	36%	0.357	S	S	.	.	H	α-helix	trans	-55.6	-40.4	175.5	166	-91.2	0	0	0	111.9	A263 R264 V265 D284	H261-A263 PolarHBondContact O-N 3.38Å; H261-R264 PolarHBondContact O-N 2.67Å; H261-V265 WeakPolarHBondContact CE1-CG2 3.24Å; H261-V265 WeakPolarHBondContact NE2-CG2 3.41Å; H261-V265 WeakPolarHBondContact O-CG2 3.49Å; H261-V265 PolarHBondContact O-N 2.91Å; H261-D284 IonicContact CD2-OD1 3.7Å; H261-D284 PolarHBondContact CD2-OD1 3.48Å; H261-D284 IonicContact NE2-OD1 3.72Å; H261-D284 PolarHBondContact NE2-OD1 3.28Å
262	E	82.2	Confident	78.1	Confident	119 Å²	119	65.2 Å²	65.2	56%	0.556	36%	0.356	S	S	*	.	H	α-helix	trans	-63	-40.5	179.2	-163.3	-162.5	151.6	0	0	112.8	T260 R264 V265 K266	T260-E262 PolarHBondContact O-N 3.27Å; E262-R264 VanDerWaalsContact C-N 3.32Å; E262-R264 PolarHBondContact O-N 2.79Å; E262-V265 PolarHBondContact O-N 2.92Å; E262-K266 WeakPolarHBondContact O-CG 3.36Å; E262-K266 PolarHBondContact O-N 3.14Å; E262-K266 WeakPolarHBondContact OE1-CE 3.16Å; E262-K266 IonicContact OE1-NZ 2.61Å; E262-K266 PolarHBondContact OE1-NZ 3.48Å
263	A	79.4	Confident	78.7	Confident	22 Å²	22	66.3 Å²	66.3	18%	0.182	37%	0.367	C	S	.	.	H	α-helix	trans	-63.5	-40	174.7	0	0	0	0	0	111.4	S257 M258 T260 H261 K266 T267	S257-A263 WeakPolarHBondContact O-CB 3.43Å; M258-A263 HydrophobicContact SD-CB 4.48Å; T260-A263 PolarHBondContact O-N 3.2Å; T260-A263 VanDerWaalsContact OG1-CB 3.26Å; T260-A263 WeakPolarHBondContact OG1-CB 3.35Å; T260-A263 PolarHBondContact OG1-N 2.92Å; H261-A263 PolarHBondContact O-N 3.38Å; A263-K266 PolarHBondContact O-N 2.94Å; A263-T267 PolarHBondContact O-N 3.17Å
264	R	91.4	Very high	78.7	Confident	4 Å²	4	71.3 Å²	71.3	2%	0.015	38%	0.383	C	S	.	.	H	α-helix	trans	-63.4	-49.9	175	-61.1	-164.2	-66.3	-84.9	6.8	111.7	M258 Q259 T260 H261 E262 K266 T267 F268 A283 G286 F287 F299	M258-R264 HydrophobicContact CB-CG 4.16Å; M258-R264 WeakPolarHBondContact O-CD 3.37Å; M258-R264 WeakPolarHBondContact O-CG 3.31Å; M258-R264 PolarHBondContact O-NH1 3.2Å; Q259-R264 PolarHBondContact O-NH1 3.02Å; T260-R264 PolarHBondContact O-N 3.43Å; H261-R264 PolarHBondContact O-N 2.67Å; E262-R264 VanDerWaalsContact C-N 3.32Å; E262-R264 PolarHBondContact O-N 2.79Å; R264-K266 PolarHBondContact O-N 3.02Å; R264-T267 WeakPolarHBondContact O-CB 3.25Å; R264-T267 PolarHBondContact O-N 3.37Å; R264-T267 PolarHBondContact O-OG1 3.03Å; R264-F268 WeakPolarHBondContact O-CD2 3.43Å; R264-A283 HydrophobicContact CB-CB 4.01Å; R264-A283 VanDerWaalsContact CZ-O 3.3Å; R264-A283 PolarHBondContact NE-O 3.34Å; R264-A283 PolarHBondContact NH2-O 2.98Å; R264-G286 WeakPolarHBondContact CD-O 3.34Å; R264-F287 WeakPolarHBondContact CD-O 3.09Å; R264-F299 VanDerWaalsContact NH1-CD1 3.29Å
265	V	88.3	Confident	78.7	Confident	57 Å²	57	69.2 Å²	69.2	35%	0.345	37%	0.367	S	S	.	.	H	α-helix	trans	-55	-41	176.5	172.8	0	0	0	0	111.6	H261 E262 T267 F268 A283	H261-V265 WeakPolarHBondContact CE1-CG2 3.24Å; H261-V265 WeakPolarHBondContact NE2-CG2 3.41Å; H261-V265 WeakPolarHBondContact O-CG2 3.49Å; H261-V265 PolarHBondContact O-N 2.91Å; E262-V265 PolarHBondContact O-N 2.92Å; V265-T267 PolarHBondContact O-N 3.35Å; V265-F268 PolarHBondContact O-N 3.02Å; V265-A283 HydrophobicContact CG2-CB 3.53Å
266	K	89.4	Confident	78.7	Confident	119 Å²	119	69.4 Å²	69.4	52%	0.517	37%	0.37	S	S	.	.	H	α-helix	trans	-62	-21	176.6	-74.7	170.9	-176.9	174.6	0	114.4	E262 A263 R264 F268 I269	E262-K266 WeakPolarHBondContact O-CG 3.36Å; E262-K266 PolarHBondContact O-N 3.14Å; E262-K266 WeakPolarHBondContact OE1-CE 3.16Å; E262-K266 IonicContact OE1-NZ 2.61Å; E262-K266 PolarHBondContact OE1-NZ 3.48Å; A263-K266 PolarHBondContact O-N 2.94Å; R264-K266 PolarHBondContact O-N 3.02Å; K266-F268 VanDerWaalsContact C-N 3.34Å; K266-I269 VanDerWaalsContact O-CD1 3.26Å; K266-I269 WeakPolarHBondContact O-CD1 3.31Å; K266-I269 WeakPolarHBondContact O-CG1 3.45Å
267	T	87.7	Confident	79	Confident	35 Å²	35	64.7 Å²	64.7	22%	0.215	34%	0.342	C	S	.	.	H	α-helix	trans	-70.2	-31.5	173	65.9	0	0	0	0	112.5	M258 A263 R264 V265 I269 Y288 Y289	M258-T267 HydrophobicContact CE-CG2 4.02Å; M258-T267 HydrophobicContact SD-CG2 3.55Å; M258-T267 VanDerWaalsContact SD-CG2 3.55Å; A263-T267 PolarHBondContact O-N 3.17Å; R264-T267 WeakPolarHBondContact O-CB 3.25Å; R264-T267 PolarHBondContact O-N 3.37Å; R264-T267 PolarHBondContact O-OG1 3.03Å; V265-T267 PolarHBondContact O-N 3.35Å; T267-I269 PolarHBondContact O-N 3.48Å; T267-I269 VanDerWaalsContact O-N 3.13Å; T267-Y288 HydrophobicContact CG2-CD2 4.28Å; T267-Y289 WeakPolarHBondContact O-CD1 3.02Å; T267-Y289 PolarHBondContact OG1-N 2.79Å
268	F	90.5	Very high	79.5	Confident	13 Å²	13	66.2 Å²	66.2	6%	0.057	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-78.9	11.7	-173.7	-66	-87.5	0	0	0	114.8	R264 V265 K266 N270 W271 P279 L282 A283 Y289 V296	R264-F268 WeakPolarHBondContact O-CD2 3.43Å; V265-F268 PolarHBondContact O-N 3.02Å; K266-F268 VanDerWaalsContact C-N 3.34Å; F268-N270 PolarHBondContact O-N 3.45Å; F268-N270 VanDerWaalsContact O-N 3.16Å; F268-W271 HydrophobicContact CB-CB 4.06Å; F268-W271 HydrophobicContact CD1-CB 4.07Å; F268-W271 AromaticContact CD1-CD2 3.67Å; F268-W271 HydrophobicContact CD1-CD2 3.67Å; F268-W271 AromaticContact CD1-CE3 3.56Å; F268-W271 HydrophobicContact CD1-CE3 3.56Å; F268-W271 AromaticContact CD1-CG 3.94Å; F268-W271 HydrophobicContact CD1-CG 3.94Å; F268-W271 HydrophobicContact CD1-CZ3 4.18Å; F268-W271 HydrophobicContact CE1-CD2 4.09Å; F268-W271 AromaticContact CE1-CE3 3.74Å; F268-W271 HydrophobicContact CE1-CE3 3.74Å; F268-W271 HydrophobicContact CE1-CH2 4.33Å; F268-W271 AromaticContact CE1-CZ3 3.87Å; F268-W271 HydrophobicContact CE1-CZ3 3.87Å; F268-W271 VanDerWaalsContact O-CB 3.25Å; F268-W271 WeakPolarHBondContact O-CB 3.16Å; F268-W271 PolarHBondContact O-N 2.9Å; F268-P279 HydrophobicContact CB-CB 3.62Å; F268-P279 HydrophobicContact CB-CG 4.02Å; F268-P279 HydrophobicContact CD1-CB 3.98Å; F268-P279 HydrophobicContact CD1-CG 4.26Å; F268-P279 HydrophobicContact CD2-CB 4.22Å; F268-P279 HydrophobicContact CG-CB 3.7Å; F268-P279 HydrophobicContact CG-CG 4.31Å; F268-L282 HydrophobicContact CE1-CB 4.03Å; F268-L282 HydrophobicContact CE1-CD1 3.76Å; F268-L282 HydrophobicContact CE2-CB 4.4Å; F268-L282 HydrophobicContact CZ-CB 3.61Å; F268-L282 HydrophobicContact CZ-CD1 4.24Å; F268-A283 HydrophobicContact CE2-CB 4.26Å; F268-Y289 HydrophobicContact CD1-CG 4.47Å; F268-V296 HydrophobicContact CE1-CG1 3.91Å; F268-V296 HydrophobicContact CZ-CG1 4.18Å
269	I	84.7	Confident	79.8	Confident	138 Å²	138	66.3 Å²	66.3	71%	0.708	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-54.6	-34.7	176.4	-68.6	168.3	0	0	0	111.7	K266 T267	K266-I269 VanDerWaalsContact O-CD1 3.26Å; K266-I269 WeakPolarHBondContact O-CD1 3.31Å; K266-I269 WeakPolarHBondContact O-CG1 3.45Å; T267-I269 PolarHBondContact O-N 3.48Å; T267-I269 VanDerWaalsContact O-N 3.13Å
270	N	78.4	Confident	80.5	Confident	128 Å²	128	69 Å²	69	68%	0.684	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-108.3	27.9	177.7	-64	-22.9	0	0	0	112.6	F268 Y289	F268-N270 PolarHBondContact O-N 3.45Å; F268-N270 VanDerWaalsContact O-N 3.16Å; N270-Y289 HydrophobicContact CB-CE1 4.21Å; N270-Y289 WeakPolarHBondContact O-CE1 3.34Å; N270-Y289 PolarHBondContact O-OH 3.38Å
271	W	81.6	Confident	81	Confident	23 Å²	23	69 Å²	69	9%	0.087	35%	0.348	C	S	.	.			trans	-66.4	135.4	173.9	-173.6	-112.1	0	0	0	110.2	F268 T273 I275 V277 P279 L282 Y289 D294 V296	F268-W271 HydrophobicContact CB-CB 4.06Å; F268-W271 HydrophobicContact CD1-CB 4.07Å; F268-W271 AromaticContact CD1-CD2 3.67Å; F268-W271 HydrophobicContact CD1-CD2 3.67Å; F268-W271 AromaticContact CD1-CE3 3.56Å; F268-W271 HydrophobicContact CD1-CE3 3.56Å; F268-W271 AromaticContact CD1-CG 3.94Å; F268-W271 HydrophobicContact CD1-CG 3.94Å; F268-W271 HydrophobicContact CD1-CZ3 4.18Å; F268-W271 HydrophobicContact CE1-CD2 4.09Å; F268-W271 AromaticContact CE1-CE3 3.74Å; F268-W271 HydrophobicContact CE1-CE3 3.74Å; F268-W271 HydrophobicContact CE1-CH2 4.33Å; F268-W271 AromaticContact CE1-CZ3 3.87Å; F268-W271 HydrophobicContact CE1-CZ3 3.87Å; F268-W271 VanDerWaalsContact O-CB 3.25Å; F268-W271 WeakPolarHBondContact O-CB 3.16Å; F268-W271 PolarHBondContact O-N 2.9Å; W271-T273 PolarHBondContact O-N 2.9Å; W271-I275 HydrophobicContact CH2-CG2 4.5Å; W271-I275 HydrophobicContact CZ2-CB 4.08Å; W271-I275 HydrophobicContact CZ2-CG1 4.49Å; W271-I275 HydrophobicContact CZ2-CG2 3.55Å; W271-V277 PolarHBondContact NE1-O 3.26Å; W271-P279 HydrophobicContact CB-CG 4.18Å; W271-P279 HydrophobicContact CG-CG 3.93Å; W271-L282 HydrophobicContact CH2-CD1 3.72Å; W271-L282 HydrophobicContact CZ2-CD1 3.36Å; W271-Y289 HydrophobicContact CE3-CD1 4.45Å; W271-Y289 AromaticContact CE3-CD2 3.56Å; W271-Y289 HydrophobicContact CE3-CD2 3.56Å; W271-Y289 AromaticContact CE3-CE2 3.9Å; W271-Y289 HydrophobicContact CE3-CE2 3.9Å; W271-Y289 AromaticContact CE3-CG 3.88Å; W271-Y289 HydrophobicContact CE3-CG 3.88Å; W271-Y289 AromaticContact CZ3-CD2 3.61Å; W271-Y289 HydrophobicContact CZ3-CD2 3.61Å; W271-Y289 HydrophobicContact CZ3-CE2 4.05Å; W271-Y289 HydrophobicContact CZ3-CG 4.28Å; W271-D294 HydrophobicContact CH2-CB 3.72Å; W271-D294 WeakPolarHBondContact CH2-O 3.49Å; W271-D294 HydrophobicContact CZ2-CB 4.29Å; W271-D294 HydrophobicContact CZ3-CB 4.06Å; W271-D294 WeakPolarHBondContact CZ3-O 3.49Å; W271-V296 HydrophobicContact CH2-CG1 3.6Å; W271-V296 HydrophobicContact CZ3-CG1 3.5Å
272	P	72.6	Confident	81.2	Confident	20 Å²	20	65.8 Å²	65.8	13%	0.13	33%	0.333	C	S	.	.			trans	-70.3	123.3	-176.6	-10.5	24.5	0	0	0	110.7	R274 I275 N293	P272-R274 HydrophobicContact CB-CG 4.05Å; P272-R274 PolarHBondContact O-N 3.44Å; P272-I275 HydrophobicContact CB-CG1 4.09Å; P272-I275 HydrophobicContact CG-CG1 4.16Å; P272-I275 PolarHBondContact O-N 3.39Å; P272-N293 WeakPolarHBondContact CD-O 3.34Å; P272-N293 WeakPolarHBondContact CG-O 3.49Å
273	T	69.2	Low	81.6	Confident	152 Å²	152	60.1 Å²	60.1	93%	0.933	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-14.1	-178.9	49.2	0	0	0	0	114.9	W271 I275	W271-T273 PolarHBondContact O-N 2.9Å; T273-I275 VanDerWaalsContact C-N 3.34Å
274	R	62.1	Low	82.1	Confident	129 Å²	129	62.1 Å²	62.1	49%	0.487	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-17.6	171.9	66.3	172.8	-175.3	-83.1	-9.3	114.1	P272 P276	P272-R274 HydrophobicContact CB-CG 4.05Å; P272-R274 PolarHBondContact O-N 3.44Å; R274-P276 WeakPolarHBondContact O-CD 3.26Å
275	I	66.8	Low	82.1	Confident	18 Å²	18	62 Å²	62	9%	0.092	31%	0.314	C	S	.	.			trans	-84.7	117.9	-178.6	-54	-64.2	0	0	0	108.6	W271 P272 T273 V277 D294 W308	W271-I275 HydrophobicContact CH2-CG2 4.5Å; W271-I275 HydrophobicContact CZ2-CB 4.08Å; W271-I275 HydrophobicContact CZ2-CG1 4.49Å; W271-I275 HydrophobicContact CZ2-CG2 3.55Å; P272-I275 HydrophobicContact CB-CG1 4.09Å; P272-I275 HydrophobicContact CG-CG1 4.16Å; P272-I275 PolarHBondContact O-N 3.39Å; T273-I275 VanDerWaalsContact C-N 3.34Å; I275-V277 PolarHBondContact O-N 3.4Å; I275-D294 HydrophobicContact CD1-CB 3.85Å; I275-D294 HydrophobicContact CG1-CB 3.87Å; I275-W308 HydrophobicContact CG2-CB 3.9Å
276	P	66.8	Low	82.1	Confident	42 Å²	42	59.2 Å²	59.2	27%	0.273	30%	0.297	S	S	.	.			trans	-71.8	-27.5	-170.2	26.4	-34.6	0	0	0	113.6	R274 Q278 S310	R274-P276 WeakPolarHBondContact O-CD 3.26Å; P276-Q278 PolarHBondContact O-N 2.82Å; P276-Q278 PolarHBondContact O-NE2 3.48Å; P276-S310 VanDerWaalsContact CG-CA 3.41Å
277	V	75.5	Confident	82.3	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.024	27%	0.273	C	S	.	.	S	Bend	trans	-67.5	124.9	178.9	-174.7	0	0	0	0	110.1	W271 I275 L282 W308 D312 P314	W271-V277 PolarHBondContact NE1-O 3.26Å; I275-V277 PolarHBondContact O-N 3.4Å; V277-L282 HydrophobicContact CG1-CD1 4.06Å; V277-L282 HydrophobicContact CG1-CD2 4.03Å; V277-L282 HydrophobicContact CG1-CG 3.85Å; V277-W308 HydrophobicContact CB-CB 4.48Å; V277-W308 HydrophobicContact CG1-CE3 4.34Å; V277-W308 HydrophobicContact CG2-CB 4.02Å; V277-W308 HydrophobicContact CG2-CE3 4.17Å; V277-D312 HydrophobicContact CG2-CB 4.08Å; V277-P314 HydrophobicContact CG1-CG 3.75Å
278	Q	84.2	Confident	82.3	Confident	108 Å²	108	53.3 Å²	53.3	51%	0.505	27%	0.268	S	S	.	.			trans	-76.2	136.2	-170.4	-59.9	-62.9	-64.4	0	0	112	P276 K280 Q281 L282	P276-Q278 PolarHBondContact O-N 2.82Å; P276-Q278 PolarHBondContact O-NE2 3.48Å; Q278-K280 PolarHBondContact O-N 2.92Å; Q278-Q281 HydrophobicContact CB-CG 4.2Å; Q278-Q281 VanDerWaalsContact CB-OE1 3.27Å; Q278-Q281 VanDerWaalsContact N-OE1 3.17Å; Q278-Q281 WeakPolarHBondContact O-CB 3.45Å; Q278-Q281 PolarHBondContact O-N 3.41Å; Q278-L282 PolarHBondContact O-N 3.25Å
279	P	88.8	Confident	82.1	Confident	34 Å²	34	53.7 Å²	53.7	22%	0.221	27%	0.269	C	S	.	.	H	α-helix	trans	-44.7	-37.1	172.8	-37.6	40.1	0	0	0	115.6	F268 W271 A283	F268-P279 HydrophobicContact CB-CB 3.62Å; F268-P279 HydrophobicContact CB-CG 4.02Å; F268-P279 HydrophobicContact CD1-CB 3.98Å; F268-P279 HydrophobicContact CD1-CG 4.26Å; F268-P279 HydrophobicContact CD2-CB 4.22Å; F268-P279 HydrophobicContact CG-CB 3.7Å; F268-P279 HydrophobicContact CG-CG 4.31Å; W271-P279 HydrophobicContact CB-CG 4.18Å; W271-P279 HydrophobicContact CG-CG 3.93Å; P279-A283 WeakPolarHBondContact O-CB 3.49Å; P279-A283 PolarHBondContact O-N 3.21Å
280	K	87.6	Confident	81.8	Confident	129 Å²	129	49.4 Å²	49.4	56%	0.561	25%	0.249	S	C	*	.	H	α-helix	trans	-68.4	-43.1	177.9	-167	-171.7	169.8	-171.6	0	112.2	Q278 L282 A283 D284	Q278-K280 PolarHBondContact O-N 2.92Å; K280-L282 VanDerWaalsContact C-N 3.27Å; K280-L282 PolarHBondContact O-N 3.04Å; K280-A283 PolarHBondContact O-N 3.18Å; K280-D284 WeakPolarHBondContact CE-OD2 3.46Å; K280-D284 VanDerWaalsContact O-CB 3.32Å; K280-D284 WeakPolarHBondContact O-CB 3.19Å; K280-D284 PolarHBondContact O-N 3.33Å
281	Q	89.6	Confident	81.5	Confident	88 Å²	88	45.6 Å²	45.6	41%	0.411	24%	0.241	S	C	.	.	H	α-helix	trans	-62.1	-38.6	177.9	-65.1	171.2	-81.2	0	0	111.3	Q278 A285 P314	Q278-Q281 HydrophobicContact CB-CG 4.2Å; Q278-Q281 VanDerWaalsContact CB-OE1 3.27Å; Q278-Q281 VanDerWaalsContact N-OE1 3.17Å; Q278-Q281 WeakPolarHBondContact O-CB 3.45Å; Q278-Q281 PolarHBondContact O-N 3.41Å; Q281-A285 WeakPolarHBondContact O-CB 3.48Å; Q281-A285 PolarHBondContact O-N 2.95Å; Q281-P314 HydrophobicContact CB-CG 4.19Å
282	L	89.2	Confident	80.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.3	-48.8	174.4	-66.8	161.5	0	0	0	110.9	F268 W271 V277 Q278 K280 D284 A285 G286 F287 V296 W308 P314	F268-L282 HydrophobicContact CE1-CB 4.03Å; F268-L282 HydrophobicContact CE1-CD1 3.76Å; F268-L282 HydrophobicContact CE2-CB 4.4Å; F268-L282 HydrophobicContact CZ-CB 3.61Å; F268-L282 HydrophobicContact CZ-CD1 4.24Å; W271-L282 HydrophobicContact CH2-CD1 3.72Å; W271-L282 HydrophobicContact CZ2-CD1 3.36Å; V277-L282 HydrophobicContact CG1-CD1 4.06Å; V277-L282 HydrophobicContact CG1-CD2 4.03Å; V277-L282 HydrophobicContact CG1-CG 3.85Å; Q278-L282 PolarHBondContact O-N 3.25Å; K280-L282 VanDerWaalsContact C-N 3.27Å; K280-L282 PolarHBondContact O-N 3.04Å; L282-D284 PolarHBondContact O-N 3.42Å; L282-A285 CarbonylContact O-C 3.45Å; L282-A285 PolarHBondContact O-N 3.45Å; L282-G286 PolarHBondContact O-N 2.91Å; L282-F287 HydrophobicContact CB-CB 4.23Å; L282-F287 WeakPolarHBondContact O-CA 3.33Å; L282-F287 WeakPolarHBondContact O-CB 3.3Å; L282-F287 PolarHBondContact O-N 2.86Å; L282-V296 HydrophobicContact CD1-CG1 4.49Å; L282-V296 HydrophobicContact CD2-CG2 4.44Å; L282-W308 HydrophobicContact CD2-CD2 4.04Å; L282-W308 HydrophobicContact CD2-CE3 4.22Å; L282-W308 HydrophobicContact CD2-CH2 3.66Å; L282-W308 HydrophobicContact CD2-CZ2 3.45Å; L282-W308 VanDerWaalsContact CD2-CZ2 3.45Å; L282-W308 HydrophobicContact CD2-CZ3 4.05Å; L282-P314 HydrophobicContact CD2-CB 4.11Å; L282-P314 HydrophobicContact CD2-CG 3.77Å; L282-P314 HydrophobicContact CG-CG 4.22Å
283	A	90.9	Very high	80.7	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-40.3	177.2	0	0	0	0	0	113.3	R264 V265 F268 P279 K280 G286 F287	R264-A283 HydrophobicContact CB-CB 4.01Å; R264-A283 VanDerWaalsContact CZ-O 3.3Å; R264-A283 PolarHBondContact NE-O 3.34Å; R264-A283 PolarHBondContact NH2-O 2.98Å; V265-A283 HydrophobicContact CG2-CB 3.53Å; F268-A283 HydrophobicContact CE2-CB 4.26Å; P279-A283 WeakPolarHBondContact O-CB 3.49Å; P279-A283 PolarHBondContact O-N 3.21Å; K280-A283 PolarHBondContact O-N 3.18Å; A283-G286 PolarHBondContact O-N 3.5Å; A283-G286 VanDerWaalsContact O-N 3.15Å; A283-F287 WeakPolarHBondContact CA-O 3.18Å
284	D	89	Confident	80.9	Confident	64 Å²	64	44.4 Å²	44.4	34%	0.342	22%	0.221	S	C	.	.	H	α-helix	trans	-61.7	-44.5	173.6	-79.2	-36	0	0	0	110.4	H261 K280 L282 G286 W315 Y327	H261-D284 IonicContact CD2-OD1 3.7Å; H261-D284 PolarHBondContact CD2-OD1 3.48Å; H261-D284 IonicContact NE2-OD1 3.72Å; H261-D284 PolarHBondContact NE2-OD1 3.28Å; K280-D284 WeakPolarHBondContact CE-OD2 3.46Å; K280-D284 VanDerWaalsContact O-CB 3.32Å; K280-D284 WeakPolarHBondContact O-CB 3.19Å; K280-D284 PolarHBondContact O-N 3.33Å; L282-D284 PolarHBondContact O-N 3.42Å; D284-G286 PolarHBondContact O-N 3.05Å; D284-G286 VanDerWaalsContact O-N 3.11Å; D284-W315 WeakPolarHBondContact O-CH2 3.17Å; D284-W315 WeakPolarHBondContact O-CZ2 3.43Å; D284-Y327 PolarHBondContact O-OH 3.35Å
285	A	91.4	Very high	81.6	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	8.4	174.2	0	0	0	0	0	115.2	Q281 L282 F287 P314 W315 H318	Q281-A285 WeakPolarHBondContact O-CB 3.48Å; Q281-A285 PolarHBondContact O-N 2.95Å; L282-A285 CarbonylContact O-C 3.45Å; L282-A285 PolarHBondContact O-N 3.45Å; A285-F287 HydrophobicContact CB-CD2 3.91Å; A285-F287 HydrophobicContact CB-CE2 4.09Å; A285-P314 HydrophobicContact CB-CB 3.49Å; A285-P314 VanDerWaalsContact CB-CB 3.49Å; A285-W315 HydrophobicContact CB-CD2 3.8Å; A285-W315 HydrophobicContact CB-CE3 4.15Å; A285-W315 HydrophobicContact CB-CG 4.13Å; A285-W315 HydrophobicContact CB-CZ2 4.36Å; A285-H318 PolarHBondContact O-CE1 2.85Å; A285-H318 PolarHBondContact O-ND1 3.45Å
286	G	88.9	Confident	82.4	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	6.5	174.3	0	0	0	0	0	115.1	R264 L282 A283 D284 C298 F299	R264-G286 WeakPolarHBondContact CD-O 3.34Å; L282-G286 PolarHBondContact O-N 2.91Å; A283-G286 PolarHBondContact O-N 3.5Å; A283-G286 VanDerWaalsContact O-N 3.15Å; D284-G286 PolarHBondContact O-N 3.05Å; D284-G286 VanDerWaalsContact O-N 3.11Å; G286-C298 WeakPolarHBondContact O-CA 3.3Å; G286-F299 WeakPolarHBondContact O-CD1 3.45Å; G286-F299 PolarHBondContact O-N 3.3Å
287	F	92.1	Very high	83.1	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	146.6	-179.9	-64.8	-77.4	0	0	0	112.9	R264 L282 A283 A285 V296 K297 C298 L305 W308 P314 H318	R264-F287 WeakPolarHBondContact CD-O 3.09Å; L282-F287 HydrophobicContact CB-CB 4.23Å; L282-F287 WeakPolarHBondContact O-CA 3.33Å; L282-F287 WeakPolarHBondContact O-CB 3.3Å; L282-F287 PolarHBondContact O-N 2.86Å; A283-F287 WeakPolarHBondContact CA-O 3.18Å; A285-F287 HydrophobicContact CB-CD2 3.91Å; A285-F287 HydrophobicContact CB-CE2 4.09Å; F287-V296 HydrophobicContact CB-CB 4.01Å; F287-V296 HydrophobicContact CB-CG2 3.91Å; F287-V296 HydrophobicContact CD1-CB 4.33Å; F287-V296 HydrophobicContact CD1-CG2 3.62Å; F287-V296 HydrophobicContact CE1-CG2 4.36Å; F287-V296 HydrophobicContact CG-CB 4.47Å; F287-V296 HydrophobicContact CG-CG2 3.87Å; F287-K297 CarbonylContact C-O 3.6Å; F287-K297 VanDerWaalsContact CA-O 3.3Å; F287-K297 WeakPolarHBondContact CA-O 3.31Å; F287-C298 HydrophobicContact CD1-CB 4.18Å; F287-C298 HydrophobicContact CE1-CB 4.07Å; F287-L305 HydrophobicContact CE1-CD1 4.12Å; F287-L305 HydrophobicContact CE1-CG 4.44Å; F287-L305 HydrophobicContact CZ-CD1 3.79Å; F287-W308 HydrophobicContact CE2-CH2 4.34Å; F287-P314 HydrophobicContact CD2-CB 4.35Å; F287-P314 HydrophobicContact CE2-CB 4.33Å; F287-H318 HydrophobicContact CE2-CB 3.94Å; F287-H318 AromaticContact CE2-ND1 3.61Å; F287-H318 HydrophobicContact CZ-CB 3.88Å; F287-H318 AromaticContact CZ-CG 3.79Å; F287-H318 AromaticContact CZ-ND1 3.67Å
288	Y	88.6	Confident	83.6	Confident	30 Å²	30	37.1 Å²	37.1	12%	0.118	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.7	169.5	70.9	-90.3	0	0	0	110.2	N255 M258 T267 V296 K297 F299	N255-Y288 HydrophobicContact CB-CE1 4.37Å; N255-Y288 VanDerWaalsContact ND2-CZ 3.34Å; N255-Y288 PolarHBondContact ND2-OH 2.69Å; M258-Y288 HydrophobicContact CB-CD1 3.67Å; M258-Y288 HydrophobicContact CB-CE1 4.03Å; M258-Y288 HydrophobicContact CB-CG 4.1Å; M258-Y288 HydrophobicContact CG-CD1 3.63Å; M258-Y288 HydrophobicContact CG-CD2 3.93Å; M258-Y288 HydrophobicContact CG-CE1 3.89Å; M258-Y288 HydrophobicContact CG-CE2 4.17Å; M258-Y288 HydrophobicContact CG-CG 3.66Å; M258-Y288 HydrophobicContact SD-CD1 4.47Å; M258-Y288 HydrophobicContact SD-CD2 4.11Å; M258-Y288 HydrophobicContact SD-CG 3.94Å; T267-Y288 HydrophobicContact CG2-CD2 4.28Å; Y288-V296 CarbonylContact O-C 3.57Å; Y288-V296 VanDerWaalsContact O-CA 3.23Å; Y288-V296 WeakPolarHBondContact O-CA 3.43Å; Y288-V296 WeakPolarHBondContact O-CB 3.43Å; Y288-K297 HydrophobicContact CD1-CB 4.44Å; Y288-K297 WeakPolarHBondContact CD1-O 3.42Å; Y288-K297 HydrophobicContact CE1-CB 3.83Å; Y288-K297 WeakPolarHBondContact CE1-O 3.48Å; Y288-K297 HydrophobicContact CE2-CB 4.45Å; Y288-K297 PolarHBondContact N-O 2.85Å; Y288-K297 PolarHBondContact O-N 3.46Å; Y288-F299 HydrophobicContact CD1-CB 4.41Å
289	Y	87.1	Confident	83.6	Confident	21 Å²	21	32.1 Å²	32.1	8%	0.082	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	132.9	180	-179.4	-140.5	0	0	0	111.2	T267 F268 N270 W271 G291 R292 N293 D295	T267-Y289 WeakPolarHBondContact O-CD1 3.02Å; T267-Y289 PolarHBondContact OG1-N 2.79Å; F268-Y289 HydrophobicContact CD1-CG 4.47Å; N270-Y289 HydrophobicContact CB-CE1 4.21Å; N270-Y289 WeakPolarHBondContact O-CE1 3.34Å; N270-Y289 PolarHBondContact O-OH 3.38Å; W271-Y289 HydrophobicContact CE3-CD1 4.45Å; W271-Y289 AromaticContact CE3-CD2 3.56Å; W271-Y289 HydrophobicContact CE3-CD2 3.56Å; W271-Y289 AromaticContact CE3-CE2 3.9Å; W271-Y289 HydrophobicContact CE3-CE2 3.9Å; W271-Y289 AromaticContact CE3-CG 3.88Å; W271-Y289 HydrophobicContact CE3-CG 3.88Å; W271-Y289 AromaticContact CZ3-CD2 3.61Å; W271-Y289 HydrophobicContact CZ3-CD2 3.61Å; W271-Y289 HydrophobicContact CZ3-CE2 4.05Å; W271-Y289 HydrophobicContact CZ3-CG 4.28Å; Y289-G291 VanDerWaalsContact C-N 3.26Å; Y289-G291 PolarHBondContact O-N 2.96Å; Y289-R292 WeakPolarHBondContact CE2-O 3.25Å; Y289-R292 PolarHBondContact OH-N 3.2Å; Y289-N293 VanDerWaalsContact CE2-O 3.32Å; Y289-N293 WeakPolarHBondContact CE2-O 3.49Å; Y289-N293 PolarHBondContact OH-O 3.16Å; Y289-D295 VanDerWaalsContact CD2-O 3.32Å; Y289-D295 WeakPolarHBondContact CD2-O 3.21Å
290	V	78.2	Confident	83.2	Confident	47 Å²	47	30.6 Å²	30.6	29%	0.285	16%	0.155	S	C	.	.			trans	-84.8	-1.7	-179.9	-173.4	0	0	0	0	111.8	D295 K297	V290-D295 HydrophobicContact CB-CB 4.13Å; V290-D295 WeakPolarHBondContact CB-O 3.43Å; V290-D295 HydrophobicContact CG2-CB 4.45Å; V290-D295 WeakPolarHBondContact CG2-O 3.35Å; V290-D295 PolarHBondContact N-O 2.87Å; V290-K297 HydrophobicContact CG2-CB 4.04Å; V290-K297 HydrophobicContact CG2-CD 4.06Å; V290-K297 HydrophobicContact CG2-CG 3.97Å
291	G	70.9	Confident	82.6	Confident	49 Å²	49	26.3 Å²	26.3	51%	0.505	14%	0.141	S	C	.	.	S	Bend	trans	85.6	11.9	175.1	0	0	0	0	0	115	Y289	Y289-G291 VanDerWaalsContact C-N 3.26Å; Y289-G291 PolarHBondContact O-N 2.96Å
292	R	68.2	Low	81.9	Confident	113 Å²	113	23.1 Å²	23.1	43%	0.426	13%	0.126	S	C	.	.	S	Bend	trans	-141	140.5	177.8	-73.3	-177.1	-87.3	173.4	-7.2	110.3	Y289 D294 D295 P589 S590	Y289-R292 WeakPolarHBondContact CE2-O 3.25Å; Y289-R292 PolarHBondContact OH-N 3.2Å; R292-D294 PolarHBondContact O-N 3.4Å; R292-D295 VanDerWaalsContact O-CB 3.32Å; R292-D295 WeakPolarHBondContact O-CB 3.16Å; R292-D295 PolarHBondContact O-N 2.96Å; R292-P589 PolarHBondContact NH1-O 3.08Å; R292-P589 VanDerWaalsContact NH1-O 3.15Å; R292-S590 PolarHBondContact NH1-OG 3.24Å
293	N	69.3	Low	81.1	Confident	44 Å²	44	23.1 Å²	23.1	24%	0.235	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	-124.7	-178.9	-36.9	-60.6	0	0	0	111.3	P272 Y289 D295 R592	P272-N293 WeakPolarHBondContact CD-O 3.34Å; P272-N293 WeakPolarHBondContact CG-O 3.49Å; Y289-N293 VanDerWaalsContact CE2-O 3.32Å; Y289-N293 WeakPolarHBondContact CE2-O 3.49Å; Y289-N293 PolarHBondContact OH-O 3.16Å; N293-D295 WeakPolarHBondContact CB-OD1 3.38Å; N293-D295 PolarHBondContact ND2-OD1 3.13Å; N293-R592 PolarHBondContact OD1-NH2 3.28Å
294	D	73.5	Confident	80.4	Confident	13 Å²	13	23.3 Å²	23.3	7%	0.07	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	21.7	168.1	68.2	-39.7	0	0	0	111.1	W271 I275 R292 V296 C307 W308	W271-D294 HydrophobicContact CH2-CB 3.72Å; W271-D294 WeakPolarHBondContact CH2-O 3.49Å; W271-D294 HydrophobicContact CZ2-CB 4.29Å; W271-D294 HydrophobicContact CZ3-CB 4.06Å; W271-D294 WeakPolarHBondContact CZ3-O 3.49Å; I275-D294 HydrophobicContact CD1-CB 3.85Å; I275-D294 HydrophobicContact CG1-CB 3.87Å; R292-D294 PolarHBondContact O-N 3.4Å; D294-V296 PolarHBondContact O-N 3.19Å; D294-C307 PolarHBondContact OD1-N 3.29Å; D294-C307 WeakPolarHBondContact OD2-CA 3.18Å; D294-C307 PolarHBondContact OD2-N 2.82Å; D294-W308 PolarHBondContact OD2-N 3.48Å
295	D	76.6	Confident	79.8	Confident	14 Å²	14	20.8 Å²	20.8	8%	0.075	12%	0.115	C	C	.	.			trans	-63.1	118.2	180	-75.7	70.5	0	0	0	111.2	Y289 V290 R292 N293 R306	Y289-D295 VanDerWaalsContact CD2-O 3.32Å; Y289-D295 WeakPolarHBondContact CD2-O 3.21Å; V290-D295 HydrophobicContact CB-CB 4.13Å; V290-D295 WeakPolarHBondContact CB-O 3.43Å; V290-D295 HydrophobicContact CG2-CB 4.45Å; V290-D295 WeakPolarHBondContact CG2-O 3.35Å; V290-D295 PolarHBondContact N-O 2.87Å; R292-D295 VanDerWaalsContact O-CB 3.32Å; R292-D295 WeakPolarHBondContact O-CB 3.16Å; R292-D295 PolarHBondContact O-N 2.96Å; N293-D295 WeakPolarHBondContact CB-OD1 3.38Å; N293-D295 PolarHBondContact ND2-OD1 3.13Å; D295-R306 VanDerWaalsContact CG-NE 3.31Å; D295-R306 IonicContact OD1-NE 3.15Å; D295-R306 PolarHBondContact OD1-NE 3.03Å; D295-R306 IonicContact OD2-CZ 2.74Å; D295-R306 IonicContact OD2-NE 3.81Å; D295-R306 PolarHBondContact OD2-NE 2.96Å; D295-R306 IonicContact OD2-NH2 2.82Å; D295-R306 PolarHBondContact OD2-NH2 3.46Å
296	V	83.4	Confident	79.1	Confident	2 Å²	2	21.8 Å²	21.8	1%	0.012	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	153.4	174	-55	0	0	0	0	112.4	F268 W271 L282 F287 Y288 D294 G304 L305 W308	F268-V296 HydrophobicContact CE1-CG1 3.91Å; F268-V296 HydrophobicContact CZ-CG1 4.18Å; W271-V296 HydrophobicContact CH2-CG1 3.6Å; W271-V296 HydrophobicContact CZ3-CG1 3.5Å; L282-V296 HydrophobicContact CD1-CG1 4.49Å; L282-V296 HydrophobicContact CD2-CG2 4.44Å; F287-V296 HydrophobicContact CB-CB 4.01Å; F287-V296 HydrophobicContact CB-CG2 3.91Å; F287-V296 HydrophobicContact CD1-CB 4.33Å; F287-V296 HydrophobicContact CD1-CG2 3.62Å; F287-V296 HydrophobicContact CE1-CG2 4.36Å; F287-V296 HydrophobicContact CG-CB 4.47Å; F287-V296 HydrophobicContact CG-CG2 3.87Å; Y288-V296 CarbonylContact O-C 3.57Å; Y288-V296 VanDerWaalsContact O-CA 3.23Å; Y288-V296 WeakPolarHBondContact O-CA 3.43Å; Y288-V296 WeakPolarHBondContact O-CB 3.43Å; D294-V296 PolarHBondContact O-N 3.19Å; V296-G304 VanDerWaalsContact O-CA 3.26Å; V296-G304 WeakPolarHBondContact O-CA 3.29Å; V296-L305 HydrophobicContact CG2-CB 4.35Å; V296-L305 PolarHBondContact N-O 3Å; V296-L305 PolarHBondContact O-N 3.49Å; V296-W308 HydrophobicContact CG2-CZ2 3.59Å
297	K	82.5	Confident	77.9	Confident	24 Å²	24	23.7 Å²	23.7	10%	0.104	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	142.1	175.7	-91.1	177.2	165	-81.8	0	112.1	F287 Y288 V290 D302 G303	F287-K297 CarbonylContact C-O 3.6Å; F287-K297 VanDerWaalsContact CA-O 3.3Å; F287-K297 WeakPolarHBondContact CA-O 3.31Å; Y288-K297 HydrophobicContact CD1-CB 4.44Å; Y288-K297 WeakPolarHBondContact CD1-O 3.42Å; Y288-K297 HydrophobicContact CE1-CB 3.83Å; Y288-K297 WeakPolarHBondContact CE1-O 3.48Å; Y288-K297 HydrophobicContact CE2-CB 4.45Å; Y288-K297 PolarHBondContact N-O 2.85Å; Y288-K297 PolarHBondContact O-N 3.46Å; V290-K297 HydrophobicContact CG2-CB 4.04Å; V290-K297 HydrophobicContact CG2-CD 4.06Å; V290-K297 HydrophobicContact CG2-CG 3.97Å; K297-D302 PolarHBondContact NZ-O 3.5Å; K297-D302 IonicContact NZ-OD1 3.42Å; K297-D302 PolarHBondContact NZ-OD1 2.96Å; K297-D302 IonicContact NZ-OD2 2.63Å; K297-G303 WeakPolarHBondContact CA-O 3.23Å
298	C	86.4	Confident	76.7	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	132	171.3	-178.4	0	0	0	0	110.9	G286 F287 C300 C301 D302 G303 H318	G286-C298 WeakPolarHBondContact O-CA 3.3Å; F287-C298 HydrophobicContact CD1-CB 4.18Å; F287-C298 HydrophobicContact CE1-CB 4.07Å; C298-C300 PolarHBondContact O-N 3.35Å; C298-C300 PolarHBondContact SG-N 3.02Å; C298-C300 VanDerWaalsContact SG-N 3.39Å; C298-C301 WeakPolarHBondContact CB-SG 3.13Å; C298-D302 PolarHBondContact O-N 2.91Å; C298-G303 PolarHBondContact N-O 2.9Å; C298-H318 PolarHBondContact SG-CE1 3.24Å
299	F	84.4	Confident	75.2	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.009	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-29.2	177	82.7	-88.8	0	0	0	113.3	F251 V253 S254 N255 M258 Q259 R264 G286 Y288 Y327	F251-F299 HydrophobicContact CD2-CE2 4.32Å; F251-F299 HydrophobicContact CD2-CZ 4.38Å; F251-F299 HydrophobicContact CE2-CZ 4.49Å; V253-F299 HydrophobicContact CG1-CD2 3.86Å; V253-F299 HydrophobicContact CG1-CE2 4.4Å; V253-F299 HydrophobicContact CG2-CD2 4.3Å; V253-F299 HydrophobicContact CG2-CE2 4.02Å; S254-F299 PolarHBondContact N-O 3.37Å; S254-F299 VanDerWaalsContact N-O 3.17Å; N255-F299 PolarHBondContact N-O 2.81Å; M258-F299 HydrophobicContact CB-CB 3.68Å; M258-F299 VanDerWaalsContact O-CB 3.28Å; M258-F299 WeakPolarHBondContact O-CB 3.44Å; M258-F299 WeakPolarHBondContact O-CG 3.14Å; Q259-F299 HydrophobicContact CB-CD2 4.23Å; Q259-F299 HydrophobicContact CB-CE2 4.32Å; Q259-F299 HydrophobicContact CG-CD2 4.42Å; Q259-F299 HydrophobicContact CG-CE2 4.01Å; R264-F299 VanDerWaalsContact NH1-CD1 3.29Å; G286-F299 WeakPolarHBondContact O-CD1 3.45Å; G286-F299 PolarHBondContact O-N 3.3Å; Y288-F299 HydrophobicContact CD1-CB 4.41Å; F299-Y327 AromaticContact CE1-CD1 3.8Å; F299-Y327 HydrophobicContact CE1-CD1 3.8Å; F299-Y327 AromaticContact CE1-CD2 3.72Å; F299-Y327 HydrophobicContact CE1-CD2 3.72Å; F299-Y327 AromaticContact CE1-CE1 3.96Å; F299-Y327 HydrophobicContact CE1-CE1 3.96Å; F299-Y327 AromaticContact CE1-CE2 3.89Å; F299-Y327 HydrophobicContact CE1-CE2 3.89Å; F299-Y327 AromaticContact CE1-CG 3.67Å; F299-Y327 HydrophobicContact CE1-CG 3.67Å; F299-Y327 AromaticContact CE1-CZ 4Å; F299-Y327 HydrophobicContact CZ-CD1 4.36Å; F299-Y327 AromaticContact CZ-CD2 3.51Å; F299-Y327 HydrophobicContact CZ-CD2 3.51Å; F299-Y327 AromaticContact CZ-CE2 3.93Å; F299-Y327 HydrophobicContact CZ-CE2 3.93Å; F299-Y327 AromaticContact CZ-CG 3.74Å; F299-Y327 HydrophobicContact CZ-CG 3.74Å
300	C	79.6	Confident	73.6	Confident	3 Å²	3	24.7 Å²	24.7	2%	0.02	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-63.8	-177	175.4	0	0	0	0	111.4	S254 C298	S254-C300 WeakPolarHBondContact CB-O 3.1Å; S254-C300 PolarHBondContact N-O 2.9Å; S254-C300 PolarHBondContact OG-O 3.17Å; C298-C300 PolarHBondContact O-N 3.35Å; C298-C300 PolarHBondContact SG-N 3.02Å; C298-C300 VanDerWaalsContact SG-N 3.39Å
301	C	74.4	Confident	72.8	Confident	38 Å²	38	25.4 Å²	25.4	26%	0.257	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	0.4	-170.4	67.1	0	0	0	0	116.1	C298 G303 C325	C298-C301 WeakPolarHBondContact CB-SG 3.13Å; C301-G303 PolarHBondContact O-N 3.06Å; C301-C325 HydrophobicContact CB-CB 3.76Å
302	D	75.6	Confident	72.7	Confident	21 Å²	21	24.4 Å²	24.4	11%	0.112	14%	0.14	C	C	.	.			trans	61.9	0.6	-174.4	-156.7	17	0	0	0	114.7	K297 C298 G304 R606	K297-D302 PolarHBondContact NZ-O 3.5Å; K297-D302 IonicContact NZ-OD1 3.42Å; K297-D302 PolarHBondContact NZ-OD1 2.96Å; K297-D302 IonicContact NZ-OD2 2.63Å; C298-D302 PolarHBondContact O-N 2.91Å; D302-G304 PolarHBondContact O-N 2.98Å; D302-R606 WeakPolarHBondContact OD2-CD 3.39Å; D302-R606 IonicContact OD2-CZ 3.63Å; D302-R606 IonicContact OD2-NH1 2.62Å; D302-R606 PolarHBondContact OD2-NH1 3.49Å
303	G	72.7	Confident	73.2	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.01	14%	0.136	C	C	.	.			trans	-61.1	131.1	178.4	0	0	0	0	0	112	K297 C298 C301 F322	K297-G303 WeakPolarHBondContact CA-O 3.23Å; C298-G303 PolarHBondContact N-O 2.9Å; C301-G303 PolarHBondContact O-N 3.06Å; G303-F322 VanDerWaalsContact CA-CE1 3.43Å; G303-F322 VanDerWaalsContact CA-CZ 3.49Å
304	G	76.2	Confident	74	Confident	4 Å²	4	20.1 Å²	20.1	4%	0.041	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.3	-173.6	0	0	0	0	0	113.4	V296 D302 G603 T604	V296-G304 VanDerWaalsContact O-CA 3.26Å; V296-G304 WeakPolarHBondContact O-CA 3.29Å; D302-G304 PolarHBondContact O-N 2.98Å; G304-G603 WeakPolarHBondContact O-CA 3.3Å; G304-T604 PolarHBondContact N-O 3.31Å; G304-T604 PolarHBondContact O-N 2.74Å; G304-T604 PolarHBondContact O-OG1 3.07Å
305	L	75.8	Confident	74.6	Confident	11 Å²	11	21.2 Å²	21.2	6%	0.058	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	151.5	178.9	-62.6	175.7	0	0	0	110.5	F287 V296 W308 E317 W321 F322	F287-L305 HydrophobicContact CE1-CD1 4.12Å; F287-L305 HydrophobicContact CE1-CG 4.44Å; F287-L305 HydrophobicContact CZ-CD1 3.79Å; V296-L305 HydrophobicContact CG2-CB 4.35Å; V296-L305 PolarHBondContact N-O 3Å; V296-L305 PolarHBondContact O-N 3.49Å; L305-W308 HydrophobicContact CB-CZ2 3.72Å; L305-W308 HydrophobicContact CD1-CH2 3.82Å; L305-W308 HydrophobicContact CD1-CZ2 3.83Å; L305-W308 HydrophobicContact CG-CZ2 4.42Å; L305-E317 HydrophobicContact CD1-CB 3.95Å; L305-W321 HydrophobicContact CD2-CB 4.36Å; L305-W321 HydrophobicContact CD2-CG 4.01Å; L305-F322 HydrophobicContact CD1-CE2 4.08Å; L305-F322 HydrophobicContact CD2-CE2 3.94Å; L305-F322 HydrophobicContact CD2-CZ 3.98Å; L305-F322 HydrophobicContact CG-CE2 3.82Å; L305-F322 HydrophobicContact CG-CZ 4.19Å
306	R	75.7	Confident	74.8	Confident	20 Å²	20	23.5 Å²	23.5	8%	0.075	14%	0.14	C	C	.	.			trans	-155.2	-177.3	173.7	68.1	166.9	80.6	120	-10.7	109.7	D295 L591 I601 K602	D295-R306 VanDerWaalsContact CG-NE 3.31Å; D295-R306 IonicContact OD1-NE 3.15Å; D295-R306 PolarHBondContact OD1-NE 3.03Å; D295-R306 IonicContact OD2-CZ 2.74Å; D295-R306 IonicContact OD2-NE 3.81Å; D295-R306 PolarHBondContact OD2-NE 2.96Å; D295-R306 IonicContact OD2-NH2 2.82Å; D295-R306 PolarHBondContact OD2-NH2 3.46Å; R306-L591 PolarHBondContact NH1-O 3.37Å; R306-L591 PolarHBondContact NH2-O 3.03Å; R306-I601 VanDerWaalsContact CD-O 3.3Å; R306-I601 WeakPolarHBondContact CD-O 3.33Å; R306-I601 PolarHBondContact NH1-O 3.16Å; R306-K602 WeakPolarHBondContact CG-O 3.39Å; R306-K602 PolarHBondContact N-O 2.98Å
307	C	64.2	Low	74.5	Confident	41 Å²	41	24.8 Å²	24.8	28%	0.277	15%	0.146	S	C	.	.			trans	57.3	51.2	-171.9	-56	0	0	0	0	111.7	D294 E309 K602	D294-C307 PolarHBondContact OD1-N 3.29Å; D294-C307 WeakPolarHBondContact OD2-CA 3.18Å; D294-C307 PolarHBondContact OD2-N 2.82Å; C307-E309 PolarHBondContact O-N 3Å; C307-K602 HydrophobicContact CB-CD 4.12Å; C307-K602 HydrophobicContact CB-CG 3.99Å
308	W	67.9	Low	74.5	Confident	13 Å²	13	23.7 Å²	23.7	5%	0.049	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-72.3	116.4	178.4	-69.3	94.7	0	0	0	111.5	I275 V277 L282 F287 D294 V296 L305 D312 P314 E317	I275-W308 HydrophobicContact CG2-CB 3.9Å; V277-W308 HydrophobicContact CB-CB 4.48Å; V277-W308 HydrophobicContact CG1-CE3 4.34Å; V277-W308 HydrophobicContact CG2-CB 4.02Å; V277-W308 HydrophobicContact CG2-CE3 4.17Å; L282-W308 HydrophobicContact CD2-CD2 4.04Å; L282-W308 HydrophobicContact CD2-CE3 4.22Å; L282-W308 HydrophobicContact CD2-CH2 3.66Å; L282-W308 HydrophobicContact CD2-CZ2 3.45Å; L282-W308 VanDerWaalsContact CD2-CZ2 3.45Å; L282-W308 HydrophobicContact CD2-CZ3 4.05Å; F287-W308 HydrophobicContact CE2-CH2 4.34Å; D294-W308 PolarHBondContact OD2-N 3.48Å; V296-W308 HydrophobicContact CG2-CZ2 3.59Å; L305-W308 HydrophobicContact CB-CZ2 3.72Å; L305-W308 HydrophobicContact CD1-CH2 3.82Å; L305-W308 HydrophobicContact CD1-CZ2 3.83Å; L305-W308 HydrophobicContact CG-CZ2 4.42Å; W308-D312 HydrophobicContact CE3-CB 3.86Å; W308-D312 HydrophobicContact CZ3-CB 4.23Å; W308-P314 HydrophobicContact CH2-CB 3.98Å; W308-P314 HydrophobicContact CH2-CG 4.2Å; W308-P314 HydrophobicContact CZ3-CB 4.1Å; W308-P314 HydrophobicContact CZ3-CG 3.89Å; W308-E317 HydrophobicContact CZ3-CB 4.49Å
309	E	56.1	Low	74.2	Confident	42 Å²	42	23.7 Å²	23.7	20%	0.196	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-96.6	165.5	-175.7	-69.8	175.3	-139.2	0	0	111.9	C307 G311 D312 K602	C307-E309 PolarHBondContact O-N 3Å; E309-G311 PolarHBondContact O-N 3.46Å; E309-D312 PolarHBondContact N-OD2 2.86Å; E309-D312 PolarHBondContact O-N 3.26Å; E309-K602 IonicContact OE1-NZ 2.91Å; E309-K602 PolarHBondContact OE1-NZ 3.44Å
310	S	54.2	Low	73.6	Confident	16 Å²	16	25.5 Å²	25.5	11%	0.112	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	121	179.9	-171.7	0	0	0	0	111.5	P276 K408 D425	P276-S310 VanDerWaalsContact CG-CA 3.41Å; S310-K408 PolarHBondContact O-NZ 3.43Å; S310-D425 WeakPolarHBondContact CB-OD1 3.46Å; S310-D425 VanDerWaalsContact CB-OD2 3.23Å; S310-D425 WeakPolarHBondContact CB-OD2 3.08Å
311	G	61.3	Low	73	Confident	62 Å²	62	27 Å²	27	64%	0.639	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.1	9.4	179.7	0	0	0	0	0	115.9	E309	E309-G311 PolarHBondContact O-N 3.46Å
312	D	68.7	Low	73.2	Confident	29 Å²	29	26 Å²	26	16%	0.155	15%	0.146	C	C	.	.			trans	-62.1	135.3	166	-76.2	-20.7	0	0	0	111.1	V277 W308 E309 P314	V277-D312 HydrophobicContact CG2-CB 4.08Å; W308-D312 HydrophobicContact CE3-CB 3.86Å; W308-D312 HydrophobicContact CZ3-CB 4.23Å; E309-D312 PolarHBondContact N-OD2 2.86Å; E309-D312 PolarHBondContact O-N 3.26Å; D312-P314 WeakPolarHBondContact O-CD 3.33Å
313	D	78.9	Confident	73.3	Confident	64 Å²	64	26.3 Å²	26.3	34%	0.342	15%	0.149	S	C	.	.			trans	-99.3	114.9	170.1	-178.9	-63	0	0	0	109.4	W315 I316 E317	D313-W315 PolarHBondContact O-N 2.89Å; D313-W315 VanDerWaalsContact O-N 3.17Å; D313-W315 WeakPolarHBondContact OD1-CA 3.35Å; D313-W315 VanDerWaalsContact OD1-CB 3.26Å; D313-W315 WeakPolarHBondContact OD1-CB 3.25Å; D313-W315 PolarHBondContact OD1-N 2.91Å; D313-I316 HydrophobicContact CB-CB 4.07Å; D313-I316 HydrophobicContact CB-CD1 3.91Å; D313-I316 HydrophobicContact CB-CG1 3.94Å; D313-I316 PolarHBondContact O-N 3.3Å; D313-I316 PolarHBondContact OD1-N 2.82Å; D313-E317 PolarHBondContact O-N 3.42Å; D313-E317 VanDerWaalsContact O-N 3.11Å
314	P	85.6	Confident	73.5	Confident	3 Å²	3	35.9 Å²	35.9	2%	0.019	19%	0.185	C	C	.	.	H	α-helix	trans	-59.3	-25.5	-178.9	-30.8	39	0	0	0	115.4	V277 Q281 L282 A285 F287 W308 D312 H318	V277-P314 HydrophobicContact CG1-CG 3.75Å; Q281-P314 HydrophobicContact CB-CG 4.19Å; L282-P314 HydrophobicContact CD2-CB 4.11Å; L282-P314 HydrophobicContact CD2-CG 3.77Å; L282-P314 HydrophobicContact CG-CG 4.22Å; A285-P314 HydrophobicContact CB-CB 3.49Å; A285-P314 VanDerWaalsContact CB-CB 3.49Å; F287-P314 HydrophobicContact CD2-CB 4.35Å; F287-P314 HydrophobicContact CE2-CB 4.33Å; W308-P314 HydrophobicContact CH2-CB 3.98Å; W308-P314 HydrophobicContact CH2-CG 4.2Å; W308-P314 HydrophobicContact CZ3-CB 4.1Å; W308-P314 HydrophobicContact CZ3-CG 3.89Å; D312-P314 WeakPolarHBondContact O-CD 3.33Å; P314-H318 WeakPolarHBondContact O-CB 3.48Å; P314-H318 PolarHBondContact O-N 3.26Å; P314-H318 VanDerWaalsContact O-N 3.15Å
315	W	86	Confident	73.7	Confident	36 Å²	36	36 Å²	36	14%	0.136	18%	0.184	C	C	.	.	H	α-helix	trans	-77.2	-35.1	174.3	-67.7	106.8	0	0	0	112.5	D284 A285 D313 A319 Y327 L328 V331 K332 F336	D284-W315 WeakPolarHBondContact O-CH2 3.17Å; D284-W315 WeakPolarHBondContact O-CZ2 3.43Å; A285-W315 HydrophobicContact CB-CD2 3.8Å; A285-W315 HydrophobicContact CB-CE3 4.15Å; A285-W315 HydrophobicContact CB-CG 4.13Å; A285-W315 HydrophobicContact CB-CZ2 4.36Å; D313-W315 PolarHBondContact O-N 2.89Å; D313-W315 VanDerWaalsContact O-N 3.17Å; D313-W315 WeakPolarHBondContact OD1-CA 3.35Å; D313-W315 VanDerWaalsContact OD1-CB 3.26Å; D313-W315 WeakPolarHBondContact OD1-CB 3.25Å; D313-W315 PolarHBondContact OD1-N 2.91Å; W315-A319 WeakPolarHBondContact O-CB 3.3Å; W315-A319 PolarHBondContact O-N 2.84Å; W315-Y327 HydrophobicContact CH2-CD1 4.38Å; W315-Y327 AromaticContact CH2-CE1 3.64Å; W315-Y327 HydrophobicContact CH2-CE1 3.64Å; W315-Y327 HydrophobicContact CZ3-CD1 4.36Å; W315-Y327 HydrophobicContact CZ3-CE1 4.03Å; W315-L328 HydrophobicContact CE3-CD1 3.76Å; W315-L328 HydrophobicContact CZ3-CD1 4.18Å; W315-V331 HydrophobicContact CH2-CB 3.69Å; W315-V331 HydrophobicContact CH2-CG1 3.4Å; W315-V331 HydrophobicContact CH2-CG2 4.26Å; W315-V331 HydrophobicContact CZ2-CB 4.49Å; W315-V331 HydrophobicContact CZ2-CG1 3.71Å; W315-V331 HydrophobicContact CZ3-CB 4.15Å; W315-V331 HydrophobicContact CZ3-CG1 4.21Å; W315-K332 HydrophobicContact CB-CD 4.26Å; W315-K332 HydrophobicContact CD2-CD 3.61Å; W315-K332 HydrophobicContact CD2-CG 3.81Å; W315-K332 HydrophobicContact CE3-CD 3.78Å; W315-K332 HydrophobicContact CE3-CG 3.4Å; W315-K332 VanDerWaalsContact CE3-CG 3.4Å; W315-K332 HydrophobicContact CG-CD 3.87Å; W315-K332 HydrophobicContact CG-CG 4.34Å; W315-K332 HydrophobicContact CH2-CG 4.46Å; W315-K332 HydrophobicContact CZ2-CD 4.47Å; W315-K332 HydrophobicContact CZ3-CD 4.29Å; W315-K332 HydrophobicContact CZ3-CG 3.79Å; W315-F336 HydrophobicContact CB-CE1 4.27Å; W315-F336 HydrophobicContact CB-CZ 4.08Å
316	I	81.3	Confident	73.9	Confident	61 Å²	61	39.7 Å²	39.7	31%	0.313	20%	0.201	S	C	.	.	H	α-helix	trans	-66.1	-51	176.2	-67.6	-178.7	0	0	0	110	D313 H318 A319 K320 F336 I340	D313-I316 HydrophobicContact CB-CB 4.07Å; D313-I316 HydrophobicContact CB-CD1 3.91Å; D313-I316 HydrophobicContact CB-CG1 3.94Å; D313-I316 PolarHBondContact O-N 3.3Å; D313-I316 PolarHBondContact OD1-N 2.82Å; I316-H318 VanDerWaalsContact C-N 3.31Å; I316-H318 PolarHBondContact O-N 2.93Å; I316-A319 PolarHBondContact O-N 3.37Å; I316-A319 VanDerWaalsContact O-N 3.11Å; I316-K320 VanDerWaalsContact O-CB 3.32Å; I316-K320 WeakPolarHBondContact O-CB 3.38Å; I316-K320 PolarHBondContact O-N 2.76Å; I316-F336 HydrophobicContact CG1-CZ 4.18Å; I316-I340 HydrophobicContact CG1-CD1 4.23Å; I316-I340 HydrophobicContact CG2-CD1 4.22Å
317	E	77.9	Confident	74.3	Confident	30 Å²	30	40.2 Å²	40.2	14%	0.14	20%	0.204	C	C	.	.	H	α-helix	trans	-64.5	-36.5	178.6	-67.6	-57.2	105.9	0	0	111.6	L305 W308 D313 A319 K320 W321	L305-E317 HydrophobicContact CD1-CB 3.95Å; W308-E317 HydrophobicContact CZ3-CB 4.49Å; D313-E317 PolarHBondContact O-N 3.42Å; D313-E317 VanDerWaalsContact O-N 3.11Å; E317-A319 VanDerWaalsContact C-N 3.35Å; E317-A319 PolarHBondContact O-N 3.3Å; E317-K320 PolarHBondContact O-N 3.45Å; E317-K320 WeakPolarHBondContact OE1-CD 3.48Å; E317-K320 WeakPolarHBondContact OE1-CE 3.39Å; E317-K320 IonicContact OE1-NZ 2.73Å; E317-K320 PolarHBondContact OE1-NZ 3.2Å; E317-K320 WeakPolarHBondContact OE2-CD 3.38Å; E317-K320 IonicContact OE2-NZ 3.75Å; E317-K320 PolarHBondContact OE2-NZ 3.24Å; E317-W321 WeakPolarHBondContact O-CB 3.33Å; E317-W321 PolarHBondContact O-N 3.39Å; E317-W321 PolarHBondContact OE2-NE1 2.95Å
318	H	82.5	Confident	75.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.1	-42.3	172.2	-162.1	156.1	0	0	0	111.9	A285 F287 C298 P314 I316 F322 C325 L328	A285-H318 PolarHBondContact O-CE1 2.85Å; A285-H318 PolarHBondContact O-ND1 3.45Å; F287-H318 HydrophobicContact CE2-CB 3.94Å; F287-H318 AromaticContact CE2-ND1 3.61Å; F287-H318 HydrophobicContact CZ-CB 3.88Å; F287-H318 AromaticContact CZ-CG 3.79Å; F287-H318 AromaticContact CZ-ND1 3.67Å; C298-H318 PolarHBondContact SG-CE1 3.24Å; P314-H318 WeakPolarHBondContact O-CB 3.48Å; P314-H318 PolarHBondContact O-N 3.26Å; P314-H318 VanDerWaalsContact O-N 3.15Å; I316-H318 VanDerWaalsContact C-N 3.31Å; I316-H318 PolarHBondContact O-N 2.93Å; H318-F322 CarbonylContact O-C 3.51Å; H318-F322 WeakPolarHBondContact O-CA 3.22Å; H318-F322 PolarHBondContact O-N 2.69Å; H318-C325 WeakPolarHBondContact NE2-CB 3.48Å; H318-C325 PolarHBondContact NE2-SG 3.03Å; H318-L328 HydrophobicContact CB-CD1 4.32Å
319	A	80	Confident	75.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-75	-27.3	178.2	0	0	0	0	0	114.9	W315 I316 E317 L328 F336 V337 I340 Q341	W315-A319 WeakPolarHBondContact O-CB 3.3Å; W315-A319 PolarHBondContact O-N 2.84Å; I316-A319 PolarHBondContact O-N 3.37Å; I316-A319 VanDerWaalsContact O-N 3.11Å; E317-A319 VanDerWaalsContact C-N 3.35Å; E317-A319 PolarHBondContact O-N 3.3Å; A319-L328 HydrophobicContact CB-CD1 4.22Å; A319-L328 HydrophobicContact CB-CD2 3.92Å; A319-F336 HydrophobicContact CB-CD1 4.18Å; A319-F336 HydrophobicContact CB-CE1 3.72Å; A319-V337 HydrophobicContact CB-CG2 4.28Å; A319-I340 HydrophobicContact CB-CB 4.05Å; A319-I340 HydrophobicContact CB-CG1 4.18Å; A319-I340 HydrophobicContact CB-CG2 3.99Å; A319-Q341 PolarHBondContact O-NE2 3.43Å
320	K	71.4	Confident	76.5	Confident	40 Å²	40	42.6 Å²	42.6	17%	0.174	21%	0.212	C	C	.	.	H	α-helix	trans	-71.4	-47.4	174	180	-172.9	179.1	-171.7	0	111.5	I316 E317 I340 Q341 F344 L347	I316-K320 VanDerWaalsContact O-CB 3.32Å; I316-K320 WeakPolarHBondContact O-CB 3.38Å; I316-K320 PolarHBondContact O-N 2.76Å; E317-K320 PolarHBondContact O-N 3.45Å; E317-K320 WeakPolarHBondContact OE1-CD 3.48Å; E317-K320 WeakPolarHBondContact OE1-CE 3.39Å; E317-K320 IonicContact OE1-NZ 2.73Å; E317-K320 PolarHBondContact OE1-NZ 3.2Å; E317-K320 WeakPolarHBondContact OE2-CD 3.38Å; E317-K320 IonicContact OE2-NZ 3.75Å; E317-K320 PolarHBondContact OE2-NZ 3.24Å; K320-I340 HydrophobicContact CB-CG2 4.12Å; K320-Q341 PolarHBondContact O-NE2 3.1Å; K320-F344 HydrophobicContact CG-CD2 4.37Å; K320-L347 HydrophobicContact CG-CD1 4.42Å
321	W	66.9	Low	77.7	Confident	36 Å²	36	45.2 Å²	45.2	14%	0.136	23%	0.227	C	C	.	.	H	α-helix	trans	-93.5	-32.1	-173.7	-61.6	113.8	0	0	0	114.9	L305 E317 P323 L347 L351 I576	L305-W321 HydrophobicContact CD2-CB 4.36Å; L305-W321 HydrophobicContact CD2-CG 4.01Å; E317-W321 WeakPolarHBondContact O-CB 3.33Å; E317-W321 PolarHBondContact O-N 3.39Å; E317-W321 PolarHBondContact OE2-NE1 2.95Å; W321-P323 VanDerWaalsContact C-CD 3.46Å; W321-L347 HydrophobicContact CE3-CD2 4.08Å; W321-L347 HydrophobicContact CH2-CD2 3.42Å; W321-L347 VanDerWaalsContact CH2-CD2 3.42Å; W321-L347 HydrophobicContact CZ2-CD2 4.43Å; W321-L347 HydrophobicContact CZ3-CD2 3.21Å; W321-L351 HydrophobicContact CZ3-CD1 3.86Å; W321-I576 HydrophobicContact CD2-CD1 3.7Å; W321-I576 HydrophobicContact CE3-CD1 3.36Å; W321-I576 HydrophobicContact CE3-CG1 3.86Å; W321-I576 HydrophobicContact CE3-CG2 4.29Å; W321-I576 HydrophobicContact CG-CD1 4.23Å; W321-I576 HydrophobicContact CH2-CB 4.47Å; W321-I576 HydrophobicContact CH2-CD1 4.43Å; W321-I576 HydrophobicContact CH2-CG1 4.34Å; W321-I576 HydrophobicContact CH2-CG2 3.33Å; W321-I576 HydrophobicContact CZ2-CG2 3.75Å; W321-I576 HydrophobicContact CZ3-CB 4.33Å; W321-I576 HydrophobicContact CZ3-CD1 3.76Å; W321-I576 HydrophobicContact CZ3-CG1 3.72Å; W321-I576 HydrophobicContact CZ3-CG2 3.63Å
322	F	78.3	Confident	78.7	Confident	16 Å²	16	45.7 Å²	45.7	7%	0.07	21%	0.212	C	C	.	.			trans	-131.2	55.4	-175.7	-38.7	-72.2	0	0	0	112.9	G303 L305 H318 R324 C325 V605	G303-F322 VanDerWaalsContact CA-CE1 3.43Å; G303-F322 VanDerWaalsContact CA-CZ 3.49Å; L305-F322 HydrophobicContact CD1-CE2 4.08Å; L305-F322 HydrophobicContact CD2-CE2 3.94Å; L305-F322 HydrophobicContact CD2-CZ 3.98Å; L305-F322 HydrophobicContact CG-CE2 3.82Å; L305-F322 HydrophobicContact CG-CZ 4.19Å; H318-F322 CarbonylContact O-C 3.51Å; H318-F322 WeakPolarHBondContact O-CA 3.22Å; H318-F322 PolarHBondContact O-N 2.69Å; F322-R324 PolarHBondContact O-N 3.26Å; F322-C325 HydrophobicContact CB-CB 4.43Å; F322-C325 VanDerWaalsContact O-CB 3.29Å; F322-C325 WeakPolarHBondContact O-CB 3.35Å; F322-C325 PolarHBondContact O-N 2.97Å; F322-V605 HydrophobicContact CE1-CG2 4.12Å
323	P	77.8	Confident	78.8	Confident	28 Å²	28	45.7 Å²	45.7	18%	0.182	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-16.9	-175.1	26.5	-38	0	0	0	114.9	W321 V337 Q341	W321-P323 VanDerWaalsContact C-CD 3.46Å; P323-V337 HydrophobicContact CB-CG1 3.45Å; P323-V337 VanDerWaalsContact CB-CG1 3.45Å; P323-Q341 HydrophobicContact CB-CG 3.72Å; P323-Q341 HydrophobicContact CG-CG 4.22Å
324	R	77.4	Confident	78.7	Confident	202 Å²	202	51.6 Å²	51.6	76%	0.762	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	3.1	176.5	-60.9	-169.3	-63.1	-89.8	2.1	114.1	F322 E326	F322-R324 PolarHBondContact O-N 3.26Å; R324-E326 PolarHBondContact O-N 3.33Å
325	C	79.9	Confident	78.3	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.034	27%	0.269	C	S	.	.			trans	-66.2	122.1	178.7	178.5	0	0	0	0	111.3	C301 H318 F322 Y327 L328 L329	C301-C325 HydrophobicContact CB-CB 3.76Å; H318-C325 WeakPolarHBondContact NE2-CB 3.48Å; H318-C325 PolarHBondContact NE2-SG 3.03Å; F322-C325 HydrophobicContact CB-CB 4.43Å; F322-C325 VanDerWaalsContact O-CB 3.29Å; F322-C325 WeakPolarHBondContact O-CB 3.35Å; F322-C325 PolarHBondContact O-N 2.97Å; C325-Y327 PolarHBondContact O-N 3.25Å; C325-L328 HydrophobicContact CB-CB 3.84Å; C325-L328 WeakPolarHBondContact O-CB 3.42Å; C325-L328 PolarHBondContact O-N 3.29Å; C325-L329 WeakPolarHBondContact O-CB 3.3Å; C325-L329 VanDerWaalsContact O-CG 3.32Å; C325-L329 WeakPolarHBondContact O-CG 3.24Å; C325-L329 PolarHBondContact O-N 3.44Å
326	E	79.4	Confident	78.1	Confident	89 Å²	89	59 Å²	59	42%	0.416	27%	0.271	S	S	.	.	H	α-helix	trans	-63.9	-39.7	-176.9	-59.2	177.4	167.7	0	0	112.3	F251 N252 R324 L329 H330	F251-E326 WeakPolarHBondContact CA-OE2 3.31Å; F251-E326 HydrophobicContact CB-CB 4.48Å; F251-E326 HydrophobicContact CD1-CB 3.85Å; N252-E326 PolarHBondContact N-OE2 3.08Å; R324-E326 PolarHBondContact O-N 3.33Å; E326-L329 PolarHBondContact O-N 2.87Å; E326-H330 VanDerWaalsContact O-CB 3.27Å; E326-H330 WeakPolarHBondContact O-CB 3.44Å; E326-H330 PolarHBondContact O-N 2.88Å
327	Y	83.6	Confident	77.9	Confident	32 Å²	32	56.4 Å²	56.4	13%	0.125	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-45.5	176	178.6	-108.8	0	0	0	112.1	F251 D284 F299 W315 C325 H330 V331	F251-Y327 HydrophobicContact CE1-CD2 4.41Å; F251-Y327 AromaticContact CE2-CD2 3.99Å; F251-Y327 HydrophobicContact CE2-CD2 3.99Å; F251-Y327 AromaticContact CZ-CD2 3.84Å; F251-Y327 HydrophobicContact CZ-CD2 3.84Å; D284-Y327 PolarHBondContact O-OH 3.35Å; F299-Y327 AromaticContact CE1-CD1 3.8Å; F299-Y327 HydrophobicContact CE1-CD1 3.8Å; F299-Y327 AromaticContact CE1-CD2 3.72Å; F299-Y327 HydrophobicContact CE1-CD2 3.72Å; F299-Y327 AromaticContact CE1-CE1 3.96Å; F299-Y327 HydrophobicContact CE1-CE1 3.96Å; F299-Y327 AromaticContact CE1-CE2 3.89Å; F299-Y327 HydrophobicContact CE1-CE2 3.89Å; F299-Y327 AromaticContact CE1-CG 3.67Å; F299-Y327 HydrophobicContact CE1-CG 3.67Å; F299-Y327 AromaticContact CE1-CZ 4Å; F299-Y327 HydrophobicContact CZ-CD1 4.36Å; F299-Y327 AromaticContact CZ-CD2 3.51Å; F299-Y327 HydrophobicContact CZ-CD2 3.51Å; F299-Y327 AromaticContact CZ-CE2 3.93Å; F299-Y327 HydrophobicContact CZ-CE2 3.93Å; F299-Y327 AromaticContact CZ-CG 3.74Å; F299-Y327 HydrophobicContact CZ-CG 3.74Å; W315-Y327 HydrophobicContact CH2-CD1 4.38Å; W315-Y327 AromaticContact CH2-CE1 3.64Å; W315-Y327 HydrophobicContact CH2-CE1 3.64Å; W315-Y327 HydrophobicContact CZ3-CD1 4.36Å; W315-Y327 HydrophobicContact CZ3-CE1 4.03Å; C325-Y327 PolarHBondContact O-N 3.25Å; Y327-H330 PolarHBondContact O-N 3.29Å; Y327-V331 HydrophobicContact CD2-CG2 4.02Å; Y327-V331 HydrophobicContact CE1-CG2 4.44Å; Y327-V331 HydrophobicContact CE2-CG2 3.62Å; Y327-V331 WeakPolarHBondContact O-CG2 3.45Å; Y327-V331 PolarHBondContact O-N 2.9Å
328	L	82.3	Confident	77.8	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.4	-51.5	175.1	171.2	72.9	0	0	0	111.3	W315 H318 A319 C325 H330 V331 K332 F336 V337	W315-L328 HydrophobicContact CE3-CD1 3.76Å; W315-L328 HydrophobicContact CZ3-CD1 4.18Å; H318-L328 HydrophobicContact CB-CD1 4.32Å; A319-L328 HydrophobicContact CB-CD1 4.22Å; A319-L328 HydrophobicContact CB-CD2 3.92Å; C325-L328 HydrophobicContact CB-CB 3.84Å; C325-L328 WeakPolarHBondContact O-CB 3.42Å; C325-L328 PolarHBondContact O-N 3.29Å; L328-H330 PolarHBondContact O-N 3.5Å; L328-V331 PolarHBondContact O-N 3.33Å; L328-K332 HydrophobicContact CD1-CB 4.28Å; L328-K332 HydrophobicContact CD1-CG 3.9Å; L328-K332 WeakPolarHBondContact O-CB 3.44Å; L328-K332 PolarHBondContact O-N 3.06Å; L328-F336 HydrophobicContact CD1-CE1 4.4Å; L328-V337 HydrophobicContact CD1-CG2 4.42Å; L328-V337 HydrophobicContact CD2-CG1 4.5Å; L328-V337 HydrophobicContact CD2-CG2 3.72Å; L328-V337 HydrophobicContact CG-CG2 3.79Å
329	L	77.8	Confident	77.4	Confident	41 Å²	41	64.8 Å²	64.8	22%	0.215	31%	0.306	C	S	.	.	H	α-helix	trans	-62.2	-29.5	-178.8	-72	166.7	0	0	0	112.4	C325 E326 G333 R334 V337	C325-L329 WeakPolarHBondContact O-CB 3.3Å; C325-L329 VanDerWaalsContact O-CG 3.32Å; C325-L329 WeakPolarHBondContact O-CG 3.24Å; C325-L329 PolarHBondContact O-N 3.44Å; E326-L329 PolarHBondContact O-N 2.87Å; L329-G333 CarbonylContact O-C 3.54Å; L329-G333 WeakPolarHBondContact O-CA 3.4Å; L329-G333 PolarHBondContact O-N 3.12Å; L329-R334 HydrophobicContact CD2-CG 4.27Å; L329-V337 HydrophobicContact CD2-CB 4.07Å; L329-V337 HydrophobicContact CD2-CG1 4.3Å; L329-V337 HydrophobicContact CD2-CG2 3.84Å
330	H	75.8	Confident	77.1	Confident	104 Å²	104	65.6 Å²	65.6	48%	0.481	31%	0.31	S	S	.	.	H	α-helix	trans	-77.9	-48.8	175.6	-174.9	90.1	0	0	0	112.6	F251 E326 Y327 L328	F251-H330 HydrophobicContact CE1-CB 3.87Å; F251-H330 HydrophobicContact CZ-CB 4.46Å; E326-H330 VanDerWaalsContact O-CB 3.27Å; E326-H330 WeakPolarHBondContact O-CB 3.44Å; E326-H330 PolarHBondContact O-N 2.88Å; Y327-H330 PolarHBondContact O-N 3.29Å; L328-H330 PolarHBondContact O-N 3.5Å
331	V	78.8	Confident	77.1	Confident	71 Å²	71	66.2 Å²	66.2	43%	0.43	31%	0.314	S	S	.	.	H	α-helix	trans	-79.1	-32	-174.6	178.9	0	0	0	0	113.1	W315 Y327 L328	W315-V331 HydrophobicContact CH2-CB 3.69Å; W315-V331 HydrophobicContact CH2-CG1 3.4Å; W315-V331 HydrophobicContact CH2-CG2 4.26Å; W315-V331 HydrophobicContact CZ2-CB 4.49Å; W315-V331 HydrophobicContact CZ2-CG1 3.71Å; W315-V331 HydrophobicContact CZ3-CB 4.15Å; W315-V331 HydrophobicContact CZ3-CG1 4.21Å; Y327-V331 HydrophobicContact CD2-CG2 4.02Å; Y327-V331 HydrophobicContact CE1-CG2 4.44Å; Y327-V331 HydrophobicContact CE2-CG2 3.62Å; Y327-V331 WeakPolarHBondContact O-CG2 3.45Å; Y327-V331 PolarHBondContact O-N 2.9Å; L328-V331 PolarHBondContact O-N 3.33Å
332	K	83.3	Confident	77.1	Confident	73 Å²	73	68.3 Å²	68.3	32%	0.317	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-13.1	-178.5	-58	-65.6	-67.9	-160.9	0	114	W315 L328 F336	W315-K332 HydrophobicContact CB-CD 4.26Å; W315-K332 HydrophobicContact CD2-CD 3.61Å; W315-K332 HydrophobicContact CD2-CG 3.81Å; W315-K332 HydrophobicContact CE3-CD 3.78Å; W315-K332 HydrophobicContact CE3-CG 3.4Å; W315-K332 VanDerWaalsContact CE3-CG 3.4Å; W315-K332 HydrophobicContact CG-CD 3.87Å; W315-K332 HydrophobicContact CG-CG 4.34Å; W315-K332 HydrophobicContact CH2-CG 4.46Å; W315-K332 HydrophobicContact CZ2-CD 4.47Å; W315-K332 HydrophobicContact CZ3-CD 4.29Å; W315-K332 HydrophobicContact CZ3-CG 3.79Å; L328-K332 HydrophobicContact CD1-CB 4.28Å; L328-K332 HydrophobicContact CD1-CG 3.9Å; L328-K332 WeakPolarHBondContact O-CB 3.44Å; L328-K332 PolarHBondContact O-N 3.06Å; K332-F336 HydrophobicContact CB-CB 4.08Å; K332-F336 HydrophobicContact CB-CD1 3.44Å; K332-F336 VanDerWaalsContact CB-CD1 3.44Å; K332-F336 HydrophobicContact CB-CE1 4.05Å; K332-F336 HydrophobicContact CB-CG 3.89Å; K332-F336 HydrophobicContact CD-CE1 4.49Å; K332-F336 HydrophobicContact CG-CD1 3.97Å; K332-F336 HydrophobicContact CG-CE1 4.04Å; K332-F336 VanDerWaalsContact O-CB 3.24Å; K332-F336 WeakPolarHBondContact O-CB 3.45Å
333	G	70.6	Confident	76.4	Confident	28 Å²	28	76.9 Å²	76.9	29%	0.289	37%	0.37	S	S	.	.	H	α-helix	trans	77.6	160	-176.3	0	0	0	0	0	113.5	L329 E335	L329-G333 CarbonylContact O-C 3.54Å; L329-G333 WeakPolarHBondContact O-CA 3.4Å; L329-G333 PolarHBondContact O-N 3.12Å; G333-E335 VanDerWaalsContact C-N 3.34Å; G333-E335 PolarHBondContact O-N 3.12Å
334	R	76.3	Confident	75.4	Confident	188 Å²	188	78.9 Å²	78.9	71%	0.709	38%	0.376	S	S	*	.	H	α-helix	trans	-64.9	-37.9	-180	-56.6	-171	-168.1	-81.8	-1.2	112.2	L329 F336 V337 S338	L329-R334 HydrophobicContact CD2-CG 4.27Å; R334-F336 PolarHBondContact O-N 3.44Å; R334-V337 PolarHBondContact O-N 3.12Å; R334-S338 WeakPolarHBondContact O-CB 3.39Å; R334-S338 PolarHBondContact O-N 2.69Å; R334-S338 PolarHBondContact O-OG 3.11Å
335	E	77.2	Confident	74.1	Confident	154 Å²	154	72.3 Å²	72.3	72%	0.72	36%	0.36	S	S	*	.	H	α-helix	trans	-60.4	-44.1	-177.8	-65.8	178.9	-174	0	0	112.6	G333 V337 S338 Q339	G333-E335 VanDerWaalsContact C-N 3.34Å; G333-E335 PolarHBondContact O-N 3.12Å; E335-V337 VanDerWaalsContact C-N 3.35Å; E335-V337 PolarHBondContact O-N 3.27Å; E335-S338 PolarHBondContact O-N 2.93Å; E335-Q339 WeakPolarHBondContact O-CB 3.38Å; E335-Q339 WeakPolarHBondContact O-CG 3.33Å; E335-Q339 PolarHBondContact O-N 3.26Å
336	F	82.6	Confident	72.7	Confident	42 Å²	42	78.1 Å²	78.1	18%	0.184	39%	0.386	C	S	.	.	H	α-helix	trans	-57.3	-48.6	173.9	174.5	-98.7	0	0	0	111.2	W315 I316 A319 L328 K332 R334 S338 Q339 I340	W315-F336 HydrophobicContact CB-CE1 4.27Å; W315-F336 HydrophobicContact CB-CZ 4.08Å; I316-F336 HydrophobicContact CG1-CZ 4.18Å; A319-F336 HydrophobicContact CB-CD1 4.18Å; A319-F336 HydrophobicContact CB-CE1 3.72Å; L328-F336 HydrophobicContact CD1-CE1 4.4Å; K332-F336 HydrophobicContact CB-CB 4.08Å; K332-F336 HydrophobicContact CB-CD1 3.44Å; K332-F336 VanDerWaalsContact CB-CD1 3.44Å; K332-F336 HydrophobicContact CB-CE1 4.05Å; K332-F336 HydrophobicContact CB-CG 3.89Å; K332-F336 HydrophobicContact CD-CE1 4.49Å; K332-F336 HydrophobicContact CG-CD1 3.97Å; K332-F336 HydrophobicContact CG-CE1 4.04Å; K332-F336 VanDerWaalsContact O-CB 3.24Å; K332-F336 WeakPolarHBondContact O-CB 3.45Å; R334-F336 PolarHBondContact O-N 3.44Å; F336-S338 PolarHBondContact O-N 2.83Å; F336-Q339 PolarHBondContact O-N 3.49Å; F336-I340 HydrophobicContact CE1-CG1 4.33Å; F336-I340 HydrophobicContact CE2-CG1 4.34Å; F336-I340 HydrophobicContact CZ-CG1 4.18Å; F336-I340 WeakPolarHBondContact O-CG1 3.35Å; F336-I340 PolarHBondContact O-N 3.34Å
337	V	76.9	Confident	71.4	Confident	6 Å²	6	75.7 Å²	75.7	4%	0.036	38%	0.376	C	S	.	.	H	α-helix	trans	-65	-42.7	-179.7	-177.6	0	0	0	0	111.2	A319 P323 L328 L329 R334 E335 Q339 I340 Q341	A319-V337 HydrophobicContact CB-CG2 4.28Å; P323-V337 HydrophobicContact CB-CG1 3.45Å; P323-V337 VanDerWaalsContact CB-CG1 3.45Å; L328-V337 HydrophobicContact CD1-CG2 4.42Å; L328-V337 HydrophobicContact CD2-CG1 4.5Å; L328-V337 HydrophobicContact CD2-CG2 3.72Å; L328-V337 HydrophobicContact CG-CG2 3.79Å; L329-V337 HydrophobicContact CD2-CB 4.07Å; L329-V337 HydrophobicContact CD2-CG1 4.3Å; L329-V337 HydrophobicContact CD2-CG2 3.84Å; R334-V337 PolarHBondContact O-N 3.12Å; E335-V337 VanDerWaalsContact C-N 3.35Å; E335-V337 PolarHBondContact O-N 3.27Å; V337-Q339 PolarHBondContact O-N 3.35Å; V337-I340 PolarHBondContact O-N 3.4Å; V337-Q341 HydrophobicContact CG1-CG 4.26Å; V337-Q341 WeakPolarHBondContact O-CB 3.38Å; V337-Q341 VanDerWaalsContact O-CG 3.3Å; V337-Q341 WeakPolarHBondContact O-CG 3.5Å; V337-Q341 PolarHBondContact O-N 3.37Å
338	S	74.3	Confident	69.7	Low	78 Å²	78	76.9 Å²	76.9	55%	0.545	38%	0.384	S	S	.	.	H	α-helix	trans	-63.5	-36.9	175.3	-68.7	0	0	0	0	112.9	R334 E335 F336 A342	R334-S338 WeakPolarHBondContact O-CB 3.39Å; R334-S338 PolarHBondContact O-N 2.69Å; R334-S338 PolarHBondContact O-OG 3.11Å; E335-S338 PolarHBondContact O-N 2.93Å; F336-S338 PolarHBondContact O-N 2.83Å; S338-A342 WeakPolarHBondContact O-CB 3.33Å; S338-A342 PolarHBondContact O-N 3.31Å
339	Q	74.3	Confident	67.9	Low	127 Å²	127	82.5 Å²	82.5	59%	0.593	41%	0.411	S	S	*	.	H	α-helix	trans	-66.5	-41.8	174.9	-73.2	167.1	21.2	0	0	111.9	E335 F336 V337 R343	E335-Q339 WeakPolarHBondContact O-CB 3.38Å; E335-Q339 WeakPolarHBondContact O-CG 3.33Å; E335-Q339 PolarHBondContact O-N 3.26Å; F336-Q339 PolarHBondContact O-N 3.49Å; V337-Q339 PolarHBondContact O-N 3.35Å; Q339-R343 WeakPolarHBondContact O-CB 3.34Å; Q339-R343 PolarHBondContact O-N 3.02Å; Q339-R343 VanDerWaalsContact O-N 3.11Å
340	I	73.3	Confident	66.2	Low	18 Å²	18	84.6 Å²	84.6	9%	0.092	42%	0.419	C	S	.	.	H	α-helix	trans	-68.5	-43.4	176.6	-60.8	-64.8	0	0	0	110.7	I316 A319 K320 F336 V337 R343 F344	I316-I340 HydrophobicContact CG1-CD1 4.23Å; I316-I340 HydrophobicContact CG2-CD1 4.22Å; A319-I340 HydrophobicContact CB-CB 4.05Å; A319-I340 HydrophobicContact CB-CG1 4.18Å; A319-I340 HydrophobicContact CB-CG2 3.99Å; K320-I340 HydrophobicContact CB-CG2 4.12Å; F336-I340 HydrophobicContact CE1-CG1 4.33Å; F336-I340 HydrophobicContact CE2-CG1 4.34Å; F336-I340 HydrophobicContact CZ-CG1 4.18Å; F336-I340 WeakPolarHBondContact O-CG1 3.35Å; F336-I340 PolarHBondContact O-N 3.34Å; V337-I340 PolarHBondContact O-N 3.4Å; I340-R343 PolarHBondContact O-N 2.91Å; I340-F344 HydrophobicContact CG2-CD2 4.07Å; I340-F344 HydrophobicContact CG2-CE2 4.49Å; I340-F344 WeakPolarHBondContact O-CD2 3.43Å; I340-F344 PolarHBondContact O-N 3.38Å
341	Q	73.3	Confident	64.7	Low	53 Å²	53	80.5 Å²	80.5	25%	0.248	40%	0.401	C	S	.	.	H	α-helix	trans	-66.3	-36.7	175.9	-70.6	-69.4	-59.2	0	0	112.7	A319 K320 P323 V337 R343 F344 P345	A319-Q341 PolarHBondContact O-NE2 3.43Å; K320-Q341 PolarHBondContact O-NE2 3.1Å; P323-Q341 HydrophobicContact CB-CG 3.72Å; P323-Q341 HydrophobicContact CG-CG 4.22Å; V337-Q341 HydrophobicContact CG1-CG 4.26Å; V337-Q341 WeakPolarHBondContact O-CB 3.38Å; V337-Q341 VanDerWaalsContact O-CG 3.3Å; V337-Q341 WeakPolarHBondContact O-CG 3.5Å; V337-Q341 PolarHBondContact O-N 3.37Å; Q341-R343 VanDerWaalsContact C-N 3.26Å; Q341-R343 PolarHBondContact O-N 2.83Å; Q341-F344 CarbonylContact O-C 3.53Å; Q341-F344 PolarHBondContact O-N 2.92Å; Q341-F344 VanDerWaalsContact O-N 3.16Å; Q341-P345 VanDerWaalsContact O-CA 3.25Å; Q341-P345 WeakPolarHBondContact O-CA 3.38Å
342	A	66.4	Low	62.8	Low	80 Å²	80	80.7 Å²	80.7	66%	0.661	40%	0.399	S	S	*	.	H	α-helix	trans	-68.6	-24.8	174.1	0	0	0	0	0	113	S338	S338-A342 WeakPolarHBondContact O-CB 3.33Å; S338-A342 PolarHBondContact O-N 3.31Å
343	R	62.8	Low	60.5	Low	195 Å²	195	80.8 Å²	80.8	74%	0.736	41%	0.409	S	S	*	.	H	α-helix	trans	-81.9	-19.2	172.2	-172.8	169.7	177.7	170.7	-3.8	113.1	Q339 I340 Q341	Q339-R343 WeakPolarHBondContact O-CB 3.34Å; Q339-R343 PolarHBondContact O-N 3.02Å; Q339-R343 VanDerWaalsContact O-N 3.11Å; I340-R343 PolarHBondContact O-N 2.91Å; Q341-R343 VanDerWaalsContact C-N 3.26Å; Q341-R343 PolarHBondContact O-N 2.83Å
344	F	56.5	Low	58.8	Low	70 Å²	70	82.6 Å²	82.6	31%	0.307	42%	0.415	S	S	.	.	S	Bend	trans	-137.2	58.6	-178.9	-59.9	-66.9	0	0	0	111.7	K320 I340 Q341 L347	K320-F344 HydrophobicContact CG-CD2 4.37Å; I340-F344 HydrophobicContact CG2-CD2 4.07Å; I340-F344 HydrophobicContact CG2-CE2 4.49Å; I340-F344 WeakPolarHBondContact O-CD2 3.43Å; I340-F344 PolarHBondContact O-N 3.38Å; Q341-F344 CarbonylContact O-C 3.53Å; Q341-F344 PolarHBondContact O-N 2.92Å; Q341-F344 VanDerWaalsContact O-N 3.16Å; F344-L347 HydrophobicContact CB-CD1 4.03Å
345	P	51.2	Low	56.8	Low	64 Å²	64	75.7 Å²	75.7	42%	0.416	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	150.6	-170.6	29.8	-36.8	0	0	0	112.3	Q341 L347	Q341-P345 VanDerWaalsContact O-CA 3.25Å; Q341-P345 WeakPolarHBondContact O-CA 3.38Å; P345-L347 PolarHBondContact O-N 3.32Å
346	H	49.2	Very low	54.6	Low	127 Å²	127	74.5 Å²	74.5	59%	0.588	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	13.5	175.6	-61	-78.2	0	0	0	117	L348 E349 Q350	H346-L348 VanDerWaalsContact C-N 3.33Å; H346-L348 PolarHBondContact O-N 3.49Å; H346-L348 VanDerWaalsContact O-N 3.13Å; H346-E349 HydrophobicContact CB-CB 4.37Å; H346-E349 IonicContact CE1-OE2 2.95Å; H346-E349 IonicContact CG-OE2 2.97Å; H346-E349 IonicContact ND1-OE2 3.21Å; H346-E349 PolarHBondContact ND1-OE2 3.03Å; H346-E349 CarbonylContact O-C 3.58Å; H346-E349 WeakPolarHBondContact O-CA 3.3Å; H346-E349 WeakPolarHBondContact O-CB 3.14Å; H346-E349 PolarHBondContact O-N 2.83Å; H346-Q350 WeakPolarHBondContact O-CB 2.98Å; H346-Q350 PolarHBondContact O-N 3.08Å
347	L	53.1	Low	51.9	Low	38 Å²	38	77.9 Å²	77.9	20%	0.199	41%	0.412	C	S	.	.	H	α-helix	trans	-57.1	-38.4	-168.5	-157.1	158.2	0	0	0	114.2	K320 W321 F344 P345 L351	K320-L347 HydrophobicContact CG-CD1 4.42Å; W321-L347 HydrophobicContact CE3-CD2 4.08Å; W321-L347 HydrophobicContact CH2-CD2 3.42Å; W321-L347 VanDerWaalsContact CH2-CD2 3.42Å; W321-L347 HydrophobicContact CZ2-CD2 4.43Å; W321-L347 HydrophobicContact CZ3-CD2 3.21Å; F344-L347 HydrophobicContact CB-CD1 4.03Å; P345-L347 PolarHBondContact O-N 3.32Å; L347-L351 HydrophobicContact CD2-CD1 4.12Å; L347-L351 VanDerWaalsContact O-CG 3.31Å; L347-L351 WeakPolarHBondContact O-CG 2.99Å; L347-L351 PolarHBondContact O-N 2.93Å
348	L	47.2	Very low	49.6	Very low	58 Å²	58	83.3 Å²	83.3	30%	0.304	45%	0.447	S	S	.	.	H	α-helix	trans	-72.9	-33.2	174.5	-179.3	61.6	0	0	0	113.2	H346 L351 L352 V574 V605	H346-L348 VanDerWaalsContact C-N 3.33Å; H346-L348 PolarHBondContact O-N 3.49Å; H346-L348 VanDerWaalsContact O-N 3.13Å; L348-L351 PolarHBondContact O-N 3.29Å; L348-L352 WeakPolarHBondContact O-CG 3.42Å; L348-L352 PolarHBondContact O-N 2.85Å; L348-V574 HydrophobicContact CD1-CG1 4.47Å; L348-V605 HydrophobicContact CD1-CG1 4.39Å; L348-V605 HydrophobicContact CD1-CG2 4.29Å; L348-V605 HydrophobicContact CD2-CG1 4.4Å
349	E	44.5	Very low	47.5	Very low	118 Å²	118	85 Å²	85	55%	0.551	46%	0.455	S	S	*	.	H	α-helix	trans	-75.1	-42.3	-178.6	-168.2	164.7	-152.1	0	0	110.3	H346 L351 L352 S353	H346-E349 HydrophobicContact CB-CB 4.37Å; H346-E349 IonicContact CE1-OE2 2.95Å; H346-E349 IonicContact CG-OE2 2.97Å; H346-E349 IonicContact ND1-OE2 3.21Å; H346-E349 PolarHBondContact ND1-OE2 3.03Å; H346-E349 CarbonylContact O-C 3.58Å; H346-E349 WeakPolarHBondContact O-CA 3.3Å; H346-E349 WeakPolarHBondContact O-CB 3.14Å; H346-E349 PolarHBondContact O-N 2.83Å; E349-L351 VanDerWaalsContact C-N 3.31Å; E349-L351 PolarHBondContact O-N 3.48Å; E349-L352 WeakPolarHBondContact O-CB 3.32Å; E349-L352 PolarHBondContact O-N 2.83Å; E349-L352 VanDerWaalsContact O-N 3.1Å; E349-S353 PolarHBondContact O-N 2.68Å; E349-S353 PolarHBondContact O-OG 3.16Å; E349-S353 VanDerWaalsContact O-OG 3.12Å
350	Q	43.1	Very low	45.2	Very low	85 Å²	85	82.7 Å²	82.7	40%	0.397	45%	0.446	S	S	.	.	H	α-helix	trans	-59.6	-37.3	170	-174.2	178.6	-3.2	0	0	112.4	H346 S353 T354	H346-Q350 WeakPolarHBondContact O-CB 2.98Å; H346-Q350 PolarHBondContact O-N 3.08Å; Q350-S353 PolarHBondContact O-N 3.06Å; Q350-T354 PolarHBondContact O-N 3.21Å
351	L	43.8	Very low	43.7	Very low	17 Å²	17	88.1 Å²	88.1	9%	0.089	47%	0.471	C	S	.	.	H	α-helix	trans	-63.7	-41.6	172.7	-80.2	174.5	0	0	0	112	W321 L347 L348 E349 T354 I576 P577 G579	W321-L351 HydrophobicContact CZ3-CD1 3.86Å; L347-L351 HydrophobicContact CD2-CD1 4.12Å; L347-L351 VanDerWaalsContact O-CG 3.31Å; L347-L351 WeakPolarHBondContact O-CG 2.99Å; L347-L351 PolarHBondContact O-N 2.93Å; L348-L351 PolarHBondContact O-N 3.29Å; E349-L351 VanDerWaalsContact C-N 3.31Å; E349-L351 PolarHBondContact O-N 3.48Å; L351-T354 PolarHBondContact O-N 2.81Å; L351-T354 VanDerWaalsContact O-N 3.17Å; L351-T354 PolarHBondContact O-OG1 3.11Å; L351-I576 HydrophobicContact CD1-CG1 4.44Å; L351-P577 VanDerWaalsContact CD2-C 3.41Å; L351-P577 WeakPolarHBondContact CD2-O 3.44Å; L351-G579 WeakPolarHBondContact O-CA 3.2Å
352	L	39.8	Very low	41.8	Very low	75 Å²	75	91.9 Å²	91.9	39%	0.393	49%	0.493	S	S	.	.	H	α-helix	trans	-66.8	-38	174.7	-66.3	171.5	0	0	0	111.3	L348 E349 T354 S355 V574	L348-L352 WeakPolarHBondContact O-CG 3.42Å; L348-L352 PolarHBondContact O-N 2.85Å; E349-L352 WeakPolarHBondContact O-CB 3.32Å; E349-L352 PolarHBondContact O-N 2.83Å; E349-L352 VanDerWaalsContact O-N 3.1Å; L352-T354 PolarHBondContact O-N 2.9Å; L352-T354 VanDerWaalsContact O-N 3.08Å; L352-S355 PolarHBondContact O-N 2.69Å; L352-S355 VanDerWaalsContact O-N 3.14Å; L352-S355 PolarHBondContact O-OG 2.73Å; L352-V574 HydrophobicContact CD2-CG2 4.09Å
353	S	33.8	Very low	40	Very low	75 Å²	75	93.5 Å²	93.5	52%	0.524	50%	0.495	S	S	.	.	H	α-helix	trans	-62	-16.9	172.2	-51.6	0	0	0	0	114.3	E349 Q350	E349-S353 PolarHBondContact O-N 2.68Å; E349-S353 PolarHBondContact O-OG 3.16Å; E349-S353 VanDerWaalsContact O-OG 3.12Å; Q350-S353 PolarHBondContact O-N 3.06Å
354	T	35.8	Very low	38.2	Very low	67 Å²	67	89.3 Å²	89.3	41%	0.411	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-6.2	176.2	57.7	0	0	0	0	115.1	Q350 L351 L352 D356	Q350-T354 PolarHBondContact O-N 3.21Å; L351-T354 PolarHBondContact O-N 2.81Å; L351-T354 VanDerWaalsContact O-N 3.17Å; L351-T354 PolarHBondContact O-OG1 3.11Å; L352-T354 PolarHBondContact O-N 2.9Å; L352-T354 VanDerWaalsContact O-N 3.08Å; T354-D356 VanDerWaalsContact C-N 3.32Å
355	S	34.5	Very low	36.8	Very low	43 Å²	43	91.3 Å²	91.3	30%	0.301	51%	0.506	S	S	.	.	S	Bend	trans	-76.9	-20.6	171.9	52.5	0	0	0	0	113.7	L352	L352-S355 PolarHBondContact O-N 2.69Å; L352-S355 VanDerWaalsContact O-N 3.14Å; L352-S355 PolarHBondContact O-OG 2.73Å
356	D	29.6	Very low	35.5	Very low	128 Å²	128	93.6 Å²	93.6	68%	0.684	52%	0.522	S	S	*	.	S	Bend	trans	-98.9	-0.9	-164.2	-54.3	-4.3	0	0	0	112.3	T354 P358	T354-D356 VanDerWaalsContact C-N 3.32Å; D356-P358 WeakPolarHBondContact O-CD 3.46Å
357	I	26.6	Very low	34.4	Very low	114 Å²	114	92.5 Å²	92.5	59%	0.585	52%	0.519	S	S	*	.	S	Bend	trans	-87.3	118	171.7	-64.2	168	0	0	0	108.6	V359	I357-V359 PolarHBondContact O-N 2.87Å
358	P	29.1	Very low	33	Very low	119 Å²	119	96.3 Å²	96.3	77%	0.773	54%	0.538	S	S	*	.			trans	-67.8	106.4	174	27.4	-33.2	0	0	0	109.9	D356 D360	D356-P358 WeakPolarHBondContact O-CD 3.46Å; P358-D360 PolarHBondContact O-N 3.27Å; P358-D360 VanDerWaalsContact O-N 3.09Å
359	V	29.5	Very low	31.9	Very low	115 Å²	115	101.3 Å²	101.3	70%	0.697	56%	0.56	S	S	*	*			trans	-68.3	105.9	173.1	-177.9	0	0	0	0	108.7	I357 E361	I357-V359 PolarHBondContact O-N 2.87Å; V359-E361 HydrophobicContact CG1-CG 4.48Å; V359-E361 PolarHBondContact O-N 3.39Å
360	D	26.5	Very low	30.9	Very low	77 Å²	77	103.4 Å²	103.4	41%	0.412	57%	0.567	S	S	.	*			trans	-80.7	96.1	173.6	-167	36.8	0	0	0	109.9	P358 N362 V363 K538	P358-D360 PolarHBondContact O-N 3.27Å; P358-D360 VanDerWaalsContact O-N 3.09Å; D360-N362 PolarHBondContact O-N 2.82Å; D360-N362 PolarHBondContact OD1-ND2 2.96Å; D360-V363 PolarHBondContact O-N 2.98Å; D360-V363 VanDerWaalsContact O-N 3.12Å; D360-K538 IonicContact OD1-NZ 2.91Å; D360-K538 PolarHBondContact OD1-NZ 3.34Å
361	E	40.9	Very low	30	Very low	133 Å²	133	107 Å²	107	62%	0.621	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	12.7	178.4	-65.8	-165.3	140.5	0	0	114.2	V359 R598	V359-E361 HydrophobicContact CG1-CG 4.48Å; V359-E361 PolarHBondContact O-N 3.39Å; E361-R598 IonicContact OE1-NH1 2.92Å; E361-R598 PolarHBondContact OE1-NH1 2.85Å
362	N	33.8	Very low	29.6	Very low	131 Å²	131	113.1 Å²	113.1	70%	0.701	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-7.7	166.9	-65.2	-74.4	0	0	0	113.2	D360	D360-N362 PolarHBondContact O-N 2.82Å; D360-N362 PolarHBondContact OD1-ND2 2.96Å
363	V	27.8	Very low	29.1	Very low	115 Å²	115	112.3 Å²	112.3	70%	0.697	64%	0.635	S	S	*	*	S	Bend	trans	-105.7	108.7	163.2	-178.3	0	0	0	0	107.5	D360	D360-V363 PolarHBondContact O-N 2.98Å; D360-V363 VanDerWaalsContact O-N 3.12Å
364	D	26.5	Very low	29.2	Very low	106 Å²	106	116.5 Å²	116.5	57%	0.567	65%	0.646	S	S	*	*			trans	-52	135.9	169.8	-76.6	-63.8	0	0	0	109.9	P366 I367	D364-P366 WeakPolarHBondContact O-CA 3.42Å; D364-I367 HydrophobicContact CB-CD1 3.82Å; D364-I367 HydrophobicContact CB-CG1 3.96Å
365	P	26.9	Very low	29	Very low	112 Å²	112	118.3 Å²	118.3	73%	0.727	66%	0.661	S	S	*	*	S	Bend	trans	-57.6	117.8	170.9	25.6	-32.9	0	0	0	107.4	I367	P365-I367 PolarHBondContact O-N 2.84Å
366	P	23.2	Very low	29.1	Very low	113 Å²	113	121.9 Å²	121.9	73%	0.734	67%	0.673	S	S	*	*			trans	-53.1	109.1	-141.3	9.5	-27.6	0	0	0	112.6	D364 I368	D364-P366 WeakPolarHBondContact O-CA 3.42Å; P366-I368 PolarHBondContact O-N 3.43Å
367	I	27.5	Very low	29.9	Very low	104 Å²	104	120.2 Å²	120.2	53%	0.533	67%	0.671	S	S	.	*			trans	-72.1	87	179.9	-58.9	172.5	0	0	0	107.4	D364 P365 H369	D364-I367 HydrophobicContact CB-CD1 3.82Å; D364-I367 HydrophobicContact CB-CG1 3.96Å; P365-I367 PolarHBondContact O-N 2.84Å; I367-H369 PolarHBondContact O-N 3.48Å
368	I	23.4	Very low	30.7	Very low	118 Å²	118	119.7 Å²	119.7	61%	0.605	67%	0.667	S	S	*	*			trans	-69.8	89.6	170.3	-51.7	177	0	0	0	107.2	P366 F370	P366-I368 PolarHBondContact O-N 3.43Å; I368-F370 HydrophobicContact CB-CD2 4.14Å; I368-F370 HydrophobicContact CB-CE2 4.04Å; I368-F370 HydrophobicContact CD1-CE2 4.46Å; I368-F370 HydrophobicContact CG2-CD1 4.42Å; I368-F370 HydrophobicContact CG2-CD2 3.52Å; I368-F370 HydrophobicContact CG2-CE1 4.34Å; I368-F370 HydrophobicContact CG2-CE2 3.43Å; I368-F370 VanDerWaalsContact CG2-CE2 3.43Å; I368-F370 HydrophobicContact CG2-CG 4.04Å; I368-F370 HydrophobicContact CG2-CZ 3.87Å; I368-F370 PolarHBondContact O-N 3.36Å
369	H	22.9	Very low	31.5	Very low	163 Å²	163	115 Å²	115	76%	0.755	64%	0.635	S	S	*	*			trans	-59.3	88.5	157.1	-89	-91.3	0	0	0	108.2	I367 E371	I367-H369 PolarHBondContact O-N 3.48Å; H369-E371 PolarHBondContact O-N 2.97Å
370	F	23	Very low	32.5	Very low	161 Å²	161	111.1 Å²	111.1	71%	0.706	62%	0.615	S	S	*	*			trans	-69.3	80.9	162.2	-82.1	-77.2	0	0	0	108.8	I368	I368-F370 HydrophobicContact CB-CD2 4.14Å; I368-F370 HydrophobicContact CB-CE2 4.04Å; I368-F370 HydrophobicContact CD1-CE2 4.46Å; I368-F370 HydrophobicContact CG2-CD1 4.42Å; I368-F370 HydrophobicContact CG2-CD2 3.52Å; I368-F370 HydrophobicContact CG2-CE1 4.34Å; I368-F370 HydrophobicContact CG2-CE2 3.43Å; I368-F370 VanDerWaalsContact CG2-CE2 3.43Å; I368-F370 HydrophobicContact CG2-CG 4.04Å; I368-F370 HydrophobicContact CG2-CZ 3.87Å; I368-F370 PolarHBondContact O-N 3.36Å
371	E	24.7	Very low	34	Very low	162 Å²	162	113.7 Å²	113.7	76%	0.757	63%	0.627	S	S	*	*			trans	-62.3	157.7	144.9	-70.7	-156.8	137.3	0	0	109.3	H369 G373	H369-E371 PolarHBondContact O-N 2.97Å; E371-G373 PolarHBondContact O-N 2.91Å
372	P	35	Very low	35.1	Very low	144 Å²	144	108.9 Å²	108.9	94%	0.935	61%	0.605	S	S	*	*	S	Bend	trans	-74.2	81.7	-163.7	-18.7	34.8	0	0	0	113.5
373	G	29.6	Very low	37.2	Very low	59 Å²	59	102.7 Å²	102.7	61%	0.608	57%	0.572	S	S	*	*			trans	-127.2	101.9	-178.5	0	0	0	0	0	112.7	E371	E371-G373 PolarHBondContact O-N 2.91Å
374	E	36.6	Very low	39.4	Very low	163 Å²	163	101.1 Å²	101.1	76%	0.762	56%	0.56	S	S	*	*			trans	-45.8	139.8	-177.3	-58.6	177.8	170.9	0	0	117.1	H376	E374-H376 IonicContact OE1-NE2 3.19Å; E374-H376 IonicContact OE2-CD2 3.31Å
375	S	31.5	Very low	42	Very low	104 Å²	104	97.7 Å²	97.7	73%	0.727	54%	0.543	S	S	*	.			trans	-141.3	108.5	141.8	60.5	0	0	0	0	109.8
376	H	37.4	Very low	44.5	Very low	119 Å²	119	97.6 Å²	97.6	55%	0.551	54%	0.542	S	S	*	.			trans	-93.4	-4.2	-159	-92.5	-66.7	0	0	0	116.3	E374 A380	E374-H376 IonicContact OE1-NE2 3.19Å; E374-H376 IonicContact OE2-CD2 3.31Å; H376-A380 WeakPolarHBondContact O-CB 3.43Å; H376-A380 PolarHBondContact O-N 3.38Å
377	S	45.8	Very low	47.5	Very low	92 Å²	92	93 Å²	93	64%	0.643	51%	0.512	S	S	*	.	H	α-helix	trans	-75.9	-71.5	-169.7	-169.9	0	0	0	0	114.2	D379 A380 I381	S377-D379 VanDerWaalsContact C-N 3.3Å; S377-D379 PolarHBondContact O-N 3.35Å; S377-A380 WeakPolarHBondContact O-CB 3.44Å; S377-A380 PolarHBondContact O-N 2.84Å; S377-A380 VanDerWaalsContact O-N 3.12Å; S377-I381 PolarHBondContact O-N 3.04Å
378	E	42.1	Very low	50.1	Low	104 Å²	104	88.1 Å²	88.1	49%	0.486	49%	0.487	S	S	.	.	H	α-helix	trans	-64.9	-35.5	-179.3	-70	-159.5	116.3	0	0	112.2	R49 A380 I381 M382	R49-E378 IonicContact CZ-OE1 2.72Å; R49-E378 IonicContact NH1-OE1 3.96Å; R49-E378 PolarHBondContact NH1-OE1 2.88Å; R49-E378 IonicContact NH2-OE1 3.88Å; E378-A380 PolarHBondContact O-N 2.65Å; E378-I381 PolarHBondContact O-N 3.47Å; E378-I381 VanDerWaalsContact O-N 3.12Å; E378-M382 PolarHBondContact O-N 3Å; E378-M382 VanDerWaalsContact O-N 3.12Å
379	D	46	Very low	53	Low	19 Å²	19	86.4 Å²	86.4	10%	0.102	48%	0.475	C	S	.	.	H	α-helix	trans	-61.8	-32.2	175.2	-158.2	74.9	0	0	0	112	S377 M383 R398 K402	S377-D379 VanDerWaalsContact C-N 3.3Å; S377-D379 PolarHBondContact O-N 3.35Å; D379-M383 WeakPolarHBondContact O-CB 3.3Å; D379-M383 WeakPolarHBondContact O-CG 3.26Å; D379-M383 PolarHBondContact O-N 2.99Å; D379-R398 IonicContact OD2-CZ 3.62Å; D379-R398 IonicContact OD2-NE 2.67Å; D379-R398 IonicContact OD2-NH2 3.76Å; D379-R398 PolarHBondContact OD2-NH2 3.27Å; D379-K402 VanDerWaalsContact OD1-CD 3.29Å; D379-K402 WeakPolarHBondContact OD1-CD 3.25Å; D379-K402 VanDerWaalsContact OD1-CE 3.23Å; D379-K402 WeakPolarHBondContact OD1-CE 3.13Å; D379-K402 IonicContact OD1-NZ 3.4Å; D379-K402 PolarHBondContact OD1-NZ 3.22Å
380	A	51.9	Low	56	Low	35 Å²	35	79.9 Å²	79.9	29%	0.289	45%	0.45	S	S	.	.	H	α-helix	trans	-68.6	-47.1	171.2	0	0	0	0	0	111.4	H376 S377 E378 M383 N384	H376-A380 WeakPolarHBondContact O-CB 3.43Å; H376-A380 PolarHBondContact O-N 3.38Å; S377-A380 WeakPolarHBondContact O-CB 3.44Å; S377-A380 PolarHBondContact O-N 2.84Å; S377-A380 VanDerWaalsContact O-N 3.12Å; E378-A380 PolarHBondContact O-N 2.65Å; A380-M383 PolarHBondContact O-N 2.76Å; A380-N384 WeakPolarHBondContact O-CB 3.01Å; A380-N384 PolarHBondContact O-N 2.96Å; A380-N384 PolarHBondContact O-ND2 2.66Å
381	I	57.9	Low	59	Low	130 Å²	130	72.2 Å²	72.2	67%	0.667	42%	0.416	S	S	*	.	H	α-helix	trans	-63.6	-48.8	-173.5	-61.4	174.6	0	0	0	111.5	S377 E378	S377-I381 PolarHBondContact O-N 3.04Å; E378-I381 PolarHBondContact O-N 3.47Å; E378-I381 VanDerWaalsContact O-N 3.12Å
382	M	64.7	Low	61.9	Low	32 Å²	32	67 Å²	67	16%	0.158	39%	0.393	C	S	.	.	H	α-helix	trans	-73.3	-29.3	-178.7	69.8	179.1	166.9	0	0	113.4	E378 K402 V405 I409 N415	E378-M382 PolarHBondContact O-N 3Å; E378-M382 VanDerWaalsContact O-N 3.12Å; M382-K402 HydrophobicContact CE-CD 4.22Å; M382-K402 HydrophobicContact CE-CG 3.92Å; M382-V405 HydrophobicContact CB-CG1 4.06Å; M382-V405 HydrophobicContact CG-CG1 4.43Å; M382-V405 HydrophobicContact SD-CG1 4.4Å; M382-I409 HydrophobicContact CB-CD1 4.23Å; M382-N415 PolarHBondContact O-ND2 2.8Å
383	M	76.9	Confident	64.4	Low	2 Å²	2	67.9 Å²	67.9	1%	0.01	39%	0.385	C	S	.	.	H	α-helix	trans	-95.1	-3.6	-177.5	-52.6	-66.2	-69.8	0	0	114.8	D379 A380 V388 R398 I401 K402	D379-M383 WeakPolarHBondContact O-CB 3.3Å; D379-M383 WeakPolarHBondContact O-CG 3.26Å; D379-M383 PolarHBondContact O-N 2.99Å; A380-M383 PolarHBondContact O-N 2.76Å; M383-V388 HydrophobicContact CB-CG1 4.23Å; M383-V388 HydrophobicContact CE-CG1 3.98Å; M383-V388 WeakPolarHBondContact O-CG1 3.44Å; M383-V388 HydrophobicContact SD-CG1 4.16Å; M383-R398 HydrophobicContact CE-CG 3.75Å; M383-I401 HydrophobicContact CE-CB 3.95Å; M383-I401 HydrophobicContact CE-CG2 3.91Å; M383-I401 HydrophobicContact SD-CG2 4.41Å; M383-K402 HydrophobicContact CE-CB 4.23Å; M383-K402 HydrophobicContact SD-CB 4.05Å
384	N	74.6	Confident	67.1	Low	81 Å²	81	70.5 Å²	70.5	43%	0.433	38%	0.382	S	S	.	.			trans	-99.9	3.4	177.3	-84.2	-84	0	0	0	114.9	A380 K389	A380-N384 WeakPolarHBondContact O-CB 3.01Å; A380-N384 PolarHBondContact O-N 2.96Å; A380-N384 PolarHBondContact O-ND2 2.66Å; N384-K389 WeakPolarHBondContact O-CE 3.49Å; N384-K389 PolarHBondContact O-NZ 2.76Å; N384-K389 WeakPolarHBondContact OD1-CE 3.25Å; N384-K389 PolarHBondContact OD1-NZ 3.43Å
385	T	79.9	Confident	69.5	Low	34 Å²	34	65.9 Å²	65.9	21%	0.209	38%	0.378	C	S	.	.	S	Bend	trans	-60.2	148.3	174.3	71.4	0	0	0	0	110.3	V387 V388 K389	T385-V387 PolarHBondContact O-N 2.94Å; T385-V388 PolarHBondContact O-N 2.92Å; T385-V388 VanDerWaalsContact O-N 3.16Å; T385-V388 WeakPolarHBondContact OG1-CB 3.17Å; T385-V388 WeakPolarHBondContact OG1-CG2 3.41Å; T385-V388 PolarHBondContact OG1-N 3.31Å; T385-V388 VanDerWaalsContact OG1-N 3.13Å; T385-K389 PolarHBondContact O-N 3.13Å
386	P	79.9	Confident	72	Confident	110 Å²	110	62.5 Å²	62.5	71%	0.714	35%	0.351	S	S	*	.	H	α-helix	trans	-56.7	-33.6	177.2	-25.8	35.1	0	0	0	112.7	A390	P386-A390 WeakPolarHBondContact O-CB 3.21Å; P386-A390 PolarHBondContact O-N 2.96Å
387	V	85.6	Confident	74.3	Confident	18 Å²	18	59.6 Å²	59.6	11%	0.109	34%	0.344	C	S	.	.	H	α-helix	trans	-65	-46.9	177.3	173	0	0	0	0	111.8	T385 A391 T418 L422	T385-V387 PolarHBondContact O-N 2.94Å; V387-A391 PolarHBondContact O-N 2.95Å; V387-T418 VanDerWaalsContact CG1-O 3.29Å; V387-T418 WeakPolarHBondContact CG1-O 3.25Å; V387-L422 HydrophobicContact CG1-CB 3.97Å; V387-L422 HydrophobicContact CG1-CD2 3.83Å
388	V	83.8	Confident	75.9	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-72	-34.3	177.5	171.1	0	0	0	0	111.9	M383 T385 A391 L392 I401 V405 L422	M383-V388 HydrophobicContact CB-CG1 4.23Å; M383-V388 HydrophobicContact CE-CG1 3.98Å; M383-V388 WeakPolarHBondContact O-CG1 3.44Å; M383-V388 HydrophobicContact SD-CG1 4.16Å; T385-V388 PolarHBondContact O-N 2.92Å; T385-V388 VanDerWaalsContact O-N 3.16Å; T385-V388 WeakPolarHBondContact OG1-CB 3.17Å; T385-V388 WeakPolarHBondContact OG1-CG2 3.41Å; T385-V388 PolarHBondContact OG1-N 3.31Å; T385-V388 VanDerWaalsContact OG1-N 3.13Å; V388-A391 PolarHBondContact O-N 3.14Å; V388-L392 HydrophobicContact CG1-CD1 4.08Å; V388-L392 HydrophobicContact CG1-CG 4.43Å; V388-L392 WeakPolarHBondContact O-CG 3.46Å; V388-L392 PolarHBondContact O-N 3.46Å; V388-I401 HydrophobicContact CB-CG2 4.49Å; V388-I401 HydrophobicContact CG1-CG2 3.69Å; V388-I401 HydrophobicContact CG2-CG2 4.19Å; V388-V405 HydrophobicContact CG2-CG2 3.72Å; V388-L422 HydrophobicContact CB-CD2 4.39Å; V388-L422 HydrophobicContact CG2-CD2 3.78Å
389	K	82.9	Confident	77.6	Confident	83 Å²	83	64 Å²	64	36%	0.361	34%	0.342	S	S	.	.	H	α-helix	trans	-61.5	-46.6	173.6	-76.8	177.6	169.5	163.4	0	112.1	N384 T385 A391 L392 E393	N384-K389 WeakPolarHBondContact O-CE 3.49Å; N384-K389 PolarHBondContact O-NZ 2.76Å; N384-K389 WeakPolarHBondContact OD1-CE 3.25Å; N384-K389 PolarHBondContact OD1-NZ 3.43Å; T385-K389 PolarHBondContact O-N 3.13Å; K389-A391 VanDerWaalsContact C-N 3.32Å; K389-A391 PolarHBondContact O-N 3.17Å; K389-L392 WeakPolarHBondContact O-CB 3.44Å; K389-L392 PolarHBondContact O-N 3.13Å; K389-L392 VanDerWaalsContact O-N 3.15Å; K389-E393 WeakPolarHBondContact O-CG 3.37Å; K389-E393 PolarHBondContact O-N 3.18Å
390	A	86.1	Confident	79.3	Confident	26 Å²	26	63.5 Å²	63.5	22%	0.215	34%	0.339	C	S	.	.	H	α-helix	trans	-58.5	-41.7	173.6	0	0	0	0	0	112.3	P386 L392 E393 M394 V419	P386-A390 WeakPolarHBondContact O-CB 3.21Å; P386-A390 PolarHBondContact O-N 2.96Å; A390-L392 PolarHBondContact O-N 2.73Å; A390-E393 PolarHBondContact O-N 3.45Å; A390-M394 WeakPolarHBondContact O-CB 3.27Å; A390-M394 VanDerWaalsContact O-CG 3.23Å; A390-M394 WeakPolarHBondContact O-CG 3.22Å; A390-M394 PolarHBondContact O-N 2.83Å; A390-V419 HydrophobicContact CB-CG1 4.11Å; A390-V419 HydrophobicContact CB-CG2 3.66Å
391	A	85.5	Confident	80.6	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-66.2	-34.8	176.1	0	0	0	0	0	113.5	V387 V388 K389 M394 F396 I401 L422 L426	V387-A391 PolarHBondContact O-N 2.95Å; V388-A391 PolarHBondContact O-N 3.14Å; K389-A391 VanDerWaalsContact C-N 3.32Å; K389-A391 PolarHBondContact O-N 3.17Å; A391-M394 PolarHBondContact O-N 2.85Å; A391-F396 PolarHBondContact O-N 3.29Å; A391-I401 HydrophobicContact CB-CD1 4.26Å; A391-L422 HydrophobicContact CB-CD2 3.56Å; A391-L422 HydrophobicContact CB-CG 4.14Å; A391-L426 HydrophobicContact CB-CD1 3.89Å
392	L	86.3	Confident	81.6	Confident	53 Å²	53	59.1 Å²	59.1	28%	0.277	31%	0.309	S	S	.	.	H	α-helix	trans	-66.5	-42.1	171.5	-72.9	164.2	0	0	0	111.6	V388 K389 A390 M394 G395 R398 I401	V388-L392 HydrophobicContact CG1-CD1 4.08Å; V388-L392 HydrophobicContact CG1-CG 4.43Å; V388-L392 WeakPolarHBondContact O-CG 3.46Å; V388-L392 PolarHBondContact O-N 3.46Å; K389-L392 WeakPolarHBondContact O-CB 3.44Å; K389-L392 PolarHBondContact O-N 3.13Å; K389-L392 VanDerWaalsContact O-N 3.15Å; A390-L392 PolarHBondContact O-N 2.73Å; L392-M394 VanDerWaalsContact C-N 3.29Å; L392-M394 PolarHBondContact O-N 2.92Å; L392-G395 PolarHBondContact O-N 3.09Å; L392-R398 HydrophobicContact CD2-CB 4.01Å; L392-R398 HydrophobicContact CD2-CG 4.28Å; L392-I401 HydrophobicContact CD2-CD1 3.51Å; L392-I401 HydrophobicContact CG-CD1 3.73Å
393	E	88.4	Confident	81.8	Confident	162 Å²	162	62 Å²	62	76%	0.757	32%	0.322	S	S	*	.	H	α-helix	trans	-66.4	-29.8	176.3	-71.6	163.8	-156.1	0	0	112.3	K389 A390 G395	K389-E393 WeakPolarHBondContact O-CG 3.37Å; K389-E393 PolarHBondContact O-N 3.18Å; A390-E393 PolarHBondContact O-N 3.45Å; E393-G395 PolarHBondContact O-N 3.23Å
394	M	85.3	Confident	81.5	Confident	113 Å²	113	62.5 Å²	62.5	56%	0.557	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-1.8	169.6	-69.9	172.3	71.9	0	0	113.9	A390 A391 L392 F396 V419 V423	A390-M394 WeakPolarHBondContact O-CB 3.27Å; A390-M394 VanDerWaalsContact O-CG 3.23Å; A390-M394 WeakPolarHBondContact O-CG 3.22Å; A390-M394 PolarHBondContact O-N 2.83Å; A391-M394 PolarHBondContact O-N 2.85Å; L392-M394 VanDerWaalsContact C-N 3.29Å; L392-M394 PolarHBondContact O-N 2.92Å; M394-F396 HydrophobicContact CB-CD2 4.12Å; M394-F396 HydrophobicContact CB-CE2 4.32Å; M394-F396 HydrophobicContact CE-CE2 4.41Å; M394-V419 HydrophobicContact SD-CG1 3.86Å; M394-V423 HydrophobicContact CE-CG1 4.35Å; M394-V423 HydrophobicContact CE-CG2 3.85Å; M394-V423 HydrophobicContact SD-CG2 3.94Å
395	G	86.7	Confident	81.4	Confident	66 Å²	66	58.7 Å²	58.7	68%	0.68	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	4.5	172.7	0	0	0	0	0	116	L392 E393	L392-G395 PolarHBondContact O-N 3.09Å; E393-G395 PolarHBondContact O-N 3.23Å
396	F	84.1	Confident	80.4	Confident	33 Å²	33	61.5 Å²	61.5	15%	0.145	32%	0.315	C	S	.	.			trans	-66.3	139.9	175.8	-73.3	-85	0	0	0	111.3	A391 M394 R398 L400 I401 V423 L426 L427	A391-F396 PolarHBondContact O-N 3.29Å; M394-F396 HydrophobicContact CB-CD2 4.12Å; M394-F396 HydrophobicContact CB-CE2 4.32Å; M394-F396 HydrophobicContact CE-CE2 4.41Å; F396-R398 PolarHBondContact O-N 3.35Å; F396-L400 HydrophobicContact CD1-CD2 4.32Å; F396-I401 HydrophobicContact CB-CD1 3.81Å; F396-I401 HydrophobicContact CB-CG1 3.92Å; F396-I401 WeakPolarHBondContact O-CD1 3.1Å; F396-V423 HydrophobicContact CE2-CB 4.48Å; F396-V423 HydrophobicContact CE2-CG1 4.02Å; F396-V423 HydrophobicContact CE2-CG2 3.93Å; F396-V423 HydrophobicContact CZ-CG1 3.94Å; F396-L426 HydrophobicContact CB-CD1 4.03Å; F396-L426 HydrophobicContact CD1-CB 3.89Å; F396-L426 HydrophobicContact CD1-CD1 4.05Å; F396-L426 HydrophobicContact CD1-CG 4.46Å; F396-L426 HydrophobicContact CD2-CD1 4Å; F396-L426 HydrophobicContact CE1-CB 3.88Å; F396-L426 HydrophobicContact CE2-CD1 4.46Å; F396-L426 HydrophobicContact CG-CB 4.47Å; F396-L426 HydrophobicContact CG-CD1 3.77Å; F396-L426 HydrophobicContact CZ-CB 4.46Å; F396-L427 HydrophobicContact CE1-CD2 3.95Å; F396-L427 HydrophobicContact CE1-CG 4.14Å; F396-L427 HydrophobicContact CZ-CD2 4.01Å; F396-L427 HydrophobicContact CZ-CG 4.04Å
397	S	85.3	Confident	79.1	Confident	59 Å²	59	58.7 Å²	58.7	41%	0.413	30%	0.298	S	S	.	.			trans	-65.6	134.1	-174.6	79.7	0	0	0	0	112.3	R399 L400 I401	S397-R399 PolarHBondContact O-N 2.94Å; S397-R399 VanDerWaalsContact O-N 3.08Å; S397-L400 PolarHBondContact O-N 2.72Å; S397-L400 VanDerWaalsContact OG-CB 3.25Å; S397-L400 WeakPolarHBondContact OG-CB 3.06Å; S397-L400 PolarHBondContact OG-N 2.8Å; S397-I401 WeakPolarHBondContact O-CG1 3.43Å; S397-I401 PolarHBondContact O-N 3.32Å
398	R	81.1	Confident	77.8	Confident	111 Å²	111	58.9 Å²	58.9	42%	0.419	30%	0.298	S	S	.	.	H	α-helix	trans	-52.1	-36.3	179.3	-171.4	-175.2	179.1	82	2.7	112.6	D379 M383 L392 F396 K402	D379-R398 IonicContact OD2-CZ 3.62Å; D379-R398 IonicContact OD2-NE 2.67Å; D379-R398 IonicContact OD2-NH2 3.76Å; D379-R398 PolarHBondContact OD2-NH2 3.27Å; M383-R398 HydrophobicContact CE-CG 3.75Å; L392-R398 HydrophobicContact CD2-CB 4.01Å; L392-R398 HydrophobicContact CD2-CG 4.28Å; F396-R398 PolarHBondContact O-N 3.35Å; R398-K402 WeakPolarHBondContact O-CB 3.41Å; R398-K402 PolarHBondContact O-N 3.44Å
399	R	76.6	Confident	76.5	Confident	178 Å²	178	61.3 Å²	61.3	67%	0.672	31%	0.31	S	S	*	.	H	α-helix	trans	-67	-47	177.5	176.7	171.5	175.1	164.9	2.5	112.2	S397 I401 K402 Q403	S397-R399 PolarHBondContact O-N 2.94Å; S397-R399 VanDerWaalsContact O-N 3.08Å; R399-I401 VanDerWaalsContact C-N 3.34Å; R399-K402 PolarHBondContact O-N 3.43Å; R399-Q403 VanDerWaalsContact CG-OE1 3.29Å; R399-Q403 WeakPolarHBondContact O-CG 3.34Å; R399-Q403 PolarHBondContact O-N 3.43Å
400	L	81	Confident	74.6	Confident	7 Å²	7	64 Å²	64	4%	0.037	33%	0.327	C	S	.	.	H	α-helix	trans	-59	-49.2	175.8	-178.4	69.3	0	0	0	110	F396 S397 K402 Q403 T404 L426 A429 E430	F396-L400 HydrophobicContact CD1-CD2 4.32Å; S397-L400 PolarHBondContact O-N 2.72Å; S397-L400 VanDerWaalsContact OG-CB 3.25Å; S397-L400 WeakPolarHBondContact OG-CB 3.06Å; S397-L400 PolarHBondContact OG-N 2.8Å; L400-K402 PolarHBondContact O-N 2.89Å; L400-Q403 PolarHBondContact O-N 3.5Å; L400-Q403 VanDerWaalsContact O-N 3.1Å; L400-T404 PolarHBondContact O-N 3.16Å; L400-T404 PolarHBondContact O-OG1 3.35Å; L400-L426 HydrophobicContact CD2-CB 4.43Å; L400-L426 HydrophobicContact CD2-CD2 4.09Å; L400-L426 HydrophobicContact CG-CD2 3.88Å; L400-A429 HydrophobicContact CD1-CB 3.86Å; L400-E430 HydrophobicContact CD2-CB 3.96Å
401	I	80.1	Confident	72.6	Confident	0 Å²	0	65 Å²	65	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61	-42.9	179.7	-54.1	158.7	0	0	0	112	M383 V388 A391 L392 F396 S397 R399 Q403 T404 V405 L422 L426	M383-I401 HydrophobicContact CE-CB 3.95Å; M383-I401 HydrophobicContact CE-CG2 3.91Å; M383-I401 HydrophobicContact SD-CG2 4.41Å; V388-I401 HydrophobicContact CB-CG2 4.49Å; V388-I401 HydrophobicContact CG1-CG2 3.69Å; V388-I401 HydrophobicContact CG2-CG2 4.19Å; A391-I401 HydrophobicContact CB-CD1 4.26Å; L392-I401 HydrophobicContact CD2-CD1 3.51Å; L392-I401 HydrophobicContact CG-CD1 3.73Å; F396-I401 HydrophobicContact CB-CD1 3.81Å; F396-I401 HydrophobicContact CB-CG1 3.92Å; F396-I401 WeakPolarHBondContact O-CD1 3.1Å; S397-I401 WeakPolarHBondContact O-CG1 3.43Å; S397-I401 PolarHBondContact O-N 3.32Å; R399-I401 VanDerWaalsContact C-N 3.34Å; I401-Q403 VanDerWaalsContact C-N 3.34Å; I401-Q403 PolarHBondContact O-N 3.29Å; I401-T404 PolarHBondContact O-N 2.98Å; I401-V405 HydrophobicContact CG2-CG2 3.79Å; I401-V405 WeakPolarHBondContact O-CB 3.17Å; I401-V405 WeakPolarHBondContact O-CG2 3.41Å; I401-V405 PolarHBondContact O-N 3.41Å; I401-L422 HydrophobicContact CG2-CD1 4.36Å; I401-L422 HydrophobicContact CG2-CD2 4.39Å; I401-L426 HydrophobicContact CB-CD2 4.03Å; I401-L426 HydrophobicContact CG1-CD1 3.91Å; I401-L426 HydrophobicContact CG1-CD2 3.57Å; I401-L426 HydrophobicContact CG1-CG 4.43Å; I401-L426 HydrophobicContact CG2-CD2 4.48Å
402	K	78	Confident	70.5	Confident	73 Å²	73	67.2 Å²	67.2	32%	0.317	35%	0.35	S	S	.	.	H	α-helix	trans	-56.8	-47.2	173.8	177.9	170.6	-177.1	156.1	0	111.6	D379 M382 M383 R398 R399 L400 Q406	D379-K402 VanDerWaalsContact OD1-CD 3.29Å; D379-K402 WeakPolarHBondContact OD1-CD 3.25Å; D379-K402 VanDerWaalsContact OD1-CE 3.23Å; D379-K402 WeakPolarHBondContact OD1-CE 3.13Å; D379-K402 IonicContact OD1-NZ 3.4Å; D379-K402 PolarHBondContact OD1-NZ 3.22Å; M382-K402 HydrophobicContact CE-CD 4.22Å; M382-K402 HydrophobicContact CE-CG 3.92Å; M383-K402 HydrophobicContact CE-CB 4.23Å; M383-K402 HydrophobicContact SD-CB 4.05Å; R398-K402 WeakPolarHBondContact O-CB 3.41Å; R398-K402 PolarHBondContact O-N 3.44Å; R399-K402 PolarHBondContact O-N 3.43Å; L400-K402 PolarHBondContact O-N 2.89Å; K402-Q406 WeakPolarHBondContact O-CB 3.32Å; K402-Q406 PolarHBondContact O-N 2.89Å
403	Q	69.1	Low	68.5	Low	94 Å²	94	67.7 Å²	67.7	44%	0.439	37%	0.367	S	S	.	.	H	α-helix	trans	-65.8	-45.9	-179.1	-68.5	-177.7	-103.9	0	0	112	R399 L400 I401 Q406 S407	R399-Q403 VanDerWaalsContact CG-OE1 3.29Å; R399-Q403 WeakPolarHBondContact O-CG 3.34Å; R399-Q403 PolarHBondContact O-N 3.43Å; L400-Q403 PolarHBondContact O-N 3.5Å; L400-Q403 VanDerWaalsContact O-N 3.1Å; I401-Q403 VanDerWaalsContact C-N 3.34Å; I401-Q403 PolarHBondContact O-N 3.29Å; Q403-Q406 PolarHBondContact O-N 3.28Å; Q403-S407 PolarHBondContact O-N 3.48Å
404	T	70.9	Confident	66.9	Low	12 Å²	12	65 Å²	65	7%	0.074	36%	0.355	C	S	.	.	H	α-helix	trans	-64.1	-48.3	177.8	-59.1	0	0	0	0	112	L400 I401 Q406 S407 K408 Y416 L422 D425 L426 A429	L400-T404 PolarHBondContact O-N 3.16Å; L400-T404 PolarHBondContact O-OG1 3.35Å; I401-T404 PolarHBondContact O-N 2.98Å; T404-Q406 VanDerWaalsContact C-N 3.35Å; T404-Q406 PolarHBondContact O-N 3.35Å; T404-S407 PolarHBondContact O-N 3.01Å; T404-K408 WeakPolarHBondContact O-CB 3.49Å; T404-K408 PolarHBondContact O-N 3.44Å; T404-Y416 HydrophobicContact CG2-CE2 4.15Å; T404-Y416 WeakPolarHBondContact CG2-OH 3.41Å; T404-L422 HydrophobicContact CG2-CD1 4.32Å; T404-D425 HydrophobicContact CG2-CB 3.76Å; T404-L426 HydrophobicContact CG2-CD2 4.25Å; T404-A429 WeakPolarHBondContact OG1-CB 3.39Å
405	V	73	Confident	66.3	Low	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61.2	-41.6	175.9	171	0	0	0	0	111.5	M382 V388 I401 K408 I409 Y416 L422	M382-V405 HydrophobicContact CB-CG1 4.06Å; M382-V405 HydrophobicContact CG-CG1 4.43Å; M382-V405 HydrophobicContact SD-CG1 4.4Å; V388-V405 HydrophobicContact CG2-CG2 3.72Å; I401-V405 HydrophobicContact CG2-CG2 3.79Å; I401-V405 WeakPolarHBondContact O-CB 3.17Å; I401-V405 WeakPolarHBondContact O-CG2 3.41Å; I401-V405 PolarHBondContact O-N 3.41Å; V405-K408 PolarHBondContact O-N 3.37Å; V405-I409 HydrophobicContact CG1-CD1 3.68Å; V405-I409 HydrophobicContact CG1-CG1 4.47Å; V405-I409 WeakPolarHBondContact O-CB 3.22Å; V405-I409 VanDerWaalsContact O-CG1 3.25Å; V405-I409 WeakPolarHBondContact O-CG1 3.38Å; V405-I409 PolarHBondContact O-N 3.45Å; V405-Y416 HydrophobicContact CG2-CD2 4.06Å; V405-Y416 HydrophobicContact CG2-CE2 4.19Å; V405-L422 HydrophobicContact CG2-CD1 4.01Å
406	Q	59	Low	65.7	Low	93 Å²	93	58.9 Å²	58.9	44%	0.435	31%	0.308	S	S	.	.	H	α-helix	trans	-66.3	-42.5	177.5	-174.5	172.6	-2.9	0	0	111.8	K402 Q403 T404 I409 L410	K402-Q406 WeakPolarHBondContact O-CB 3.32Å; K402-Q406 PolarHBondContact O-N 2.89Å; Q403-Q406 PolarHBondContact O-N 3.28Å; T404-Q406 VanDerWaalsContact C-N 3.35Å; T404-Q406 PolarHBondContact O-N 3.35Å; Q406-I409 PolarHBondContact O-N 2.86Å; Q406-L410 HydrophobicContact CG-CD1 4.15Å; Q406-L410 WeakPolarHBondContact O-CB 3.23Å; Q406-L410 VanDerWaalsContact O-CG 3.25Å; Q406-L410 WeakPolarHBondContact O-CG 3.32Å; Q406-L410 PolarHBondContact O-N 3.44Å
407	S	52	Low	65.5	Low	51 Å²	51	64.5 Å²	64.5	36%	0.357	33%	0.332	S	S	.	.	H	α-helix	trans	-60.6	-48.3	174.1	-165.3	0	0	0	0	111.3	Q403 T404 I409 L410 A411	Q403-S407 PolarHBondContact O-N 3.48Å; T404-S407 PolarHBondContact O-N 3.01Å; S407-I409 VanDerWaalsContact C-N 3.34Å; S407-I409 PolarHBondContact O-N 3.38Å; S407-L410 PolarHBondContact O-N 3.19Å; S407-L410 VanDerWaalsContact O-N 3.08Å; S407-A411 WeakPolarHBondContact O-CB 3.48Å; S407-A411 PolarHBondContact O-N 2.89Å
408	K	58.6	Low	65.4	Low	22 Å²	22	64.5 Å²	64.5	10%	0.096	33%	0.33	C	S	.	.	H	α-helix	trans	-57.3	-43.5	179.2	178.3	61.2	178.6	144.8	0	113.4	S310 T404 V405 A411 T412 Y416	S310-K408 PolarHBondContact O-NZ 3.43Å; T404-K408 WeakPolarHBondContact O-CB 3.49Å; T404-K408 PolarHBondContact O-N 3.44Å; V405-K408 PolarHBondContact O-N 3.37Å; K408-A411 PolarHBondContact O-N 3.01Å; K408-T412 WeakPolarHBondContact CE-OG1 3.29Å; K408-T412 PolarHBondContact NZ-OG1 3.08Å; K408-T412 PolarHBondContact O-N 3.02Å; K408-T412 PolarHBondContact O-OG1 3.26Å; K408-Y416 HydrophobicContact CB-CD2 4.3Å; K408-Y416 HydrophobicContact CB-CE2 3.5Å; K408-Y416 VanDerWaalsContact CB-CE2 3.5Å; K408-Y416 HydrophobicContact CD-CE1 4.09Å; K408-Y416 HydrophobicContact CD-CE2 4.44Å; K408-Y416 HydrophobicContact CG-CD1 4.4Å; K408-Y416 HydrophobicContact CG-CD2 3.97Å; K408-Y416 HydrophobicContact CG-CE1 4Å; K408-Y416 HydrophobicContact CG-CE2 3.53Å; K408-Y416 HydrophobicContact CG-CG 4.39Å
409	I	55.6	Low	65.6	Low	52 Å²	52	61.3 Å²	61.3	27%	0.267	32%	0.322	S	S	.	.	H	α-helix	trans	-68.1	-37.2	177	-69.6	168	0	0	0	111	M382 V405 Q406 S407 G413 N415	M382-I409 HydrophobicContact CB-CD1 4.23Å; V405-I409 HydrophobicContact CG1-CD1 3.68Å; V405-I409 HydrophobicContact CG1-CG1 4.47Å; V405-I409 WeakPolarHBondContact O-CB 3.22Å; V405-I409 VanDerWaalsContact O-CG1 3.25Å; V405-I409 WeakPolarHBondContact O-CG1 3.38Å; V405-I409 PolarHBondContact O-N 3.45Å; Q406-I409 PolarHBondContact O-N 2.86Å; S407-I409 VanDerWaalsContact C-N 3.34Å; S407-I409 PolarHBondContact O-N 3.38Å; I409-G413 WeakPolarHBondContact O-CA 3.48Å; I409-G413 PolarHBondContact O-N 2.91Å; I409-N415 HydrophobicContact CD1-CB 4.14Å; I409-N415 HydrophobicContact CG1-CB 4.19Å
410	L	45	Very low	65.8	Low	138 Å²	138	59 Å²	59	72%	0.723	32%	0.324	S	S	*	.	H	α-helix	trans	-70.5	-37.7	175.6	-71.1	168.6	0	0	0	112.8	Q406 S407	Q406-L410 HydrophobicContact CG-CD1 4.15Å; Q406-L410 WeakPolarHBondContact O-CB 3.23Å; Q406-L410 VanDerWaalsContact O-CG 3.25Å; Q406-L410 WeakPolarHBondContact O-CG 3.32Å; Q406-L410 PolarHBondContact O-N 3.44Å; S407-L410 PolarHBondContact O-N 3.19Å; S407-L410 VanDerWaalsContact O-N 3.08Å
411	A	42.1	Very low	65.6	Low	49 Å²	49	61.4 Å²	61.4	41%	0.405	34%	0.336	S	S	.	.	H	α-helix	trans	-73.8	-45.4	179.8	0	0	0	0	0	112.7	S407 K408	S407-A411 WeakPolarHBondContact O-CB 3.48Å; S407-A411 PolarHBondContact O-N 2.89Å; K408-A411 PolarHBondContact O-N 3.01Å
412	T	43.3	Very low	65.8	Low	46 Å²	46	61.4 Å²	61.4	28%	0.282	34%	0.336	S	S	.	.	H	α-helix	trans	-119.4	-4.8	-168.4	62.6	0	0	0	0	115.5	K408 E414	K408-T412 WeakPolarHBondContact CE-OG1 3.29Å; K408-T412 PolarHBondContact NZ-OG1 3.08Å; K408-T412 PolarHBondContact O-N 3.02Å; K408-T412 PolarHBondContact O-OG1 3.26Å; T412-E414 PolarHBondContact O-N 2.96Å
413	G	44.2	Very low	66.1	Low	62 Å²	62	59 Å²	59	64%	0.639	33%	0.328	S	S	*	.	S	Bend	trans	74.8	1.6	178.5	0	0	0	0	0	115.4	I409	I409-G413 WeakPolarHBondContact O-CA 3.48Å; I409-G413 PolarHBondContact O-N 2.91Å
414	E	54	Low	66.5	Low	106 Å²	106	57 Å²	57	50%	0.495	32%	0.324	S	S	.	.	S	Bend	trans	-133.8	155.1	-177.5	-63.5	-172.2	147.2	0	0	111.3	T412 K417	T412-E414 PolarHBondContact O-N 2.96Å; E414-K417 IonicContact OE1-NZ 3.57Å; E414-K417 WeakPolarHBondContact OE2-CE 3.48Å; E414-K417 IonicContact OE2-NZ 2.69Å; E414-K417 PolarHBondContact OE2-NZ 2.84Å
415	N	71.7	Confident	66.7	Low	36 Å²	36	57.3 Å²	57.3	19%	0.193	33%	0.325	C	S	.	.			trans	-88.9	166.1	174	-160.1	-16.4	0	0	0	110.5	M382 I409	M382-N415 PolarHBondContact O-ND2 2.8Å; I409-N415 HydrophobicContact CD1-CB 4.14Å; I409-N415 HydrophobicContact CG1-CB 4.19Å
416	Y	75.7	Confident	67.1	Low	15 Å²	15	57.3 Å²	57.3	6%	0.059	33%	0.325	C	S	.	.			trans	-59.4	135.5	-177.6	-71.9	-82.9	0	0	0	113.3	T404 V405 K408 D421 L422 D425	T404-Y416 HydrophobicContact CG2-CE2 4.15Å; T404-Y416 WeakPolarHBondContact CG2-OH 3.41Å; V405-Y416 HydrophobicContact CG2-CD2 4.06Å; V405-Y416 HydrophobicContact CG2-CE2 4.19Å; K408-Y416 HydrophobicContact CB-CD2 4.3Å; K408-Y416 HydrophobicContact CB-CE2 3.5Å; K408-Y416 VanDerWaalsContact CB-CE2 3.5Å; K408-Y416 HydrophobicContact CD-CE1 4.09Å; K408-Y416 HydrophobicContact CD-CE2 4.44Å; K408-Y416 HydrophobicContact CG-CD1 4.4Å; K408-Y416 HydrophobicContact CG-CD2 3.97Å; K408-Y416 HydrophobicContact CG-CE1 4Å; K408-Y416 HydrophobicContact CG-CE2 3.53Å; K408-Y416 HydrophobicContact CG-CG 4.39Å; Y416-D421 HydrophobicContact CD1-CB 3.77Å; Y416-D421 HydrophobicContact CE1-CB 4.29Å; Y416-L422 HydrophobicContact CD1-CB 3.93Å; Y416-L422 HydrophobicContact CD2-CB 4.13Å; Y416-L422 HydrophobicContact CD2-CD1 3.62Å; Y416-L422 HydrophobicContact CD2-CG 4.34Å; Y416-L422 HydrophobicContact CE1-CB 4.46Å; Y416-L422 HydrophobicContact CE2-CD1 3.62Å; Y416-L422 HydrophobicContact CG-CB 3.74Å; Y416-L422 HydrophobicContact CG-CD1 4.15Å; Y416-L422 HydrophobicContact CG-CG 4.44Å; Y416-D425 HydrophobicContact CE1-CB 4.13Å; Y416-D425 WeakPolarHBondContact CE1-OD2 3.39Å; Y416-D425 VanDerWaalsContact CZ-OD2 3.3Å; Y416-D425 WeakPolarHBondContact OH-CB 3.08Å; Y416-D425 VanDerWaalsContact OH-CG 3.32Å; Y416-D425 PolarHBondContact OH-OD2 3.43Å
417	K	78.4	Confident	68.2	Low	150 Å²	150	56.9 Å²	56.9	65%	0.652	33%	0.326	S	S	*	.	S	Bend	trans	-96.3	-26.1	-175.7	-64.8	177.4	-176	172.9	0	112.9	E414	E414-K417 IonicContact OE1-NZ 3.57Å; E414-K417 WeakPolarHBondContact OE2-CE 3.48Å; E414-K417 IonicContact OE2-NZ 2.69Å; E414-K417 PolarHBondContact OE2-NZ 2.84Å
418	T	84.7	Confident	69.1	Low	60 Å²	60	55.8 Å²	55.8	37%	0.368	32%	0.316	S	S	.	.	S	Bend	trans	-130.2	158.4	171.8	83.5	0	0	0	0	112	V387 N420 D421 L422	V387-T418 VanDerWaalsContact CG1-O 3.29Å; V387-T418 WeakPolarHBondContact CG1-O 3.25Å; T418-N420 VanDerWaalsContact C-N 3.28Å; T418-N420 PolarHBondContact OG1-N 3.5Å; T418-D421 VanDerWaalsContact CB-OD2 3.31Å; T418-D421 WeakPolarHBondContact CB-OD2 3.35Å; T418-D421 WeakPolarHBondContact CG2-OD2 3.46Å; T418-D421 PolarHBondContact N-OD2 2.87Å; T418-D421 VanDerWaalsContact N-OD2 3.17Å; T418-D421 PolarHBondContact OG1-N 3.46Å; T418-D421 PolarHBondContact OG1-OD1 3.04Å; T418-D421 PolarHBondContact OG1-OD2 3.12Å; T418-L422 PolarHBondContact O-N 3.29Å
419	V	84.9	Confident	69.8	Low	43 Å²	43	55.8 Å²	55.8	26%	0.261	32%	0.321	S	S	.	.	H	α-helix	trans	-65.1	-34.3	174.2	-176.5	0	0	0	0	111.2	A390 M394 L422 V423	A390-V419 HydrophobicContact CB-CG1 4.11Å; A390-V419 HydrophobicContact CB-CG2 3.66Å; M394-V419 HydrophobicContact SD-CG1 3.86Å; V419-L422 PolarHBondContact O-N 2.88Å; V419-V423 HydrophobicContact CG1-CG2 3.92Å; V419-V423 WeakPolarHBondContact O-CB 3.26Å; V419-V423 VanDerWaalsContact O-CG2 3.24Å; V419-V423 WeakPolarHBondContact O-CG2 3.23Å; V419-V423 PolarHBondContact O-N 2.95Å
420	N	79.8	Confident	70.9	Confident	131 Å²	131	57.1 Å²	57.1	70%	0.701	33%	0.326	S	S	*	.	H	α-helix	trans	-64.5	-43.3	179.8	-65.9	-5.9	0	0	0	111.8	T418 V423 S424	T418-N420 VanDerWaalsContact C-N 3.28Å; T418-N420 PolarHBondContact OG1-N 3.5Å; N420-V423 PolarHBondContact O-N 3.04Å; N420-S424 WeakPolarHBondContact O-CB 3.45Å; N420-S424 PolarHBondContact O-N 3.34Å
421	D	76.8	Confident	72.2	Confident	57 Å²	57	54.2 Å²	54.2	31%	0.305	31%	0.311	S	S	.	.	H	α-helix	trans	-61	-47.6	177.6	-50.8	-46.2	0	0	0	110.6	Y416 T418 S424 D425	Y416-D421 HydrophobicContact CD1-CB 3.77Å; Y416-D421 HydrophobicContact CE1-CB 4.29Å; T418-D421 VanDerWaalsContact CB-OD2 3.31Å; T418-D421 WeakPolarHBondContact CB-OD2 3.35Å; T418-D421 WeakPolarHBondContact CG2-OD2 3.46Å; T418-D421 PolarHBondContact N-OD2 2.87Å; T418-D421 VanDerWaalsContact N-OD2 3.17Å; T418-D421 PolarHBondContact OG1-N 3.46Å; T418-D421 PolarHBondContact OG1-OD1 3.04Å; T418-D421 PolarHBondContact OG1-OD2 3.12Å; D421-S424 PolarHBondContact O-N 3.33Å; D421-D425 PolarHBondContact O-N 2.59Å; D421-D425 VanDerWaalsContact O-N 3.15Å
422	L	84.6	Confident	73.5	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.5	-48.1	178.3	174.9	57.2	0	0	0	111.2	V387 V388 A391 I401 T404 V405 Y416 T418 V419 S424 D425 L426	V387-L422 HydrophobicContact CG1-CB 3.97Å; V387-L422 HydrophobicContact CG1-CD2 3.83Å; V388-L422 HydrophobicContact CB-CD2 4.39Å; V388-L422 HydrophobicContact CG2-CD2 3.78Å; A391-L422 HydrophobicContact CB-CD2 3.56Å; A391-L422 HydrophobicContact CB-CG 4.14Å; I401-L422 HydrophobicContact CG2-CD1 4.36Å; I401-L422 HydrophobicContact CG2-CD2 4.39Å; T404-L422 HydrophobicContact CG2-CD1 4.32Å; V405-L422 HydrophobicContact CG2-CD1 4.01Å; Y416-L422 HydrophobicContact CD1-CB 3.93Å; Y416-L422 HydrophobicContact CD2-CB 4.13Å; Y416-L422 HydrophobicContact CD2-CD1 3.62Å; Y416-L422 HydrophobicContact CD2-CG 4.34Å; Y416-L422 HydrophobicContact CE1-CB 4.46Å; Y416-L422 HydrophobicContact CE2-CD1 3.62Å; Y416-L422 HydrophobicContact CG-CB 3.74Å; Y416-L422 HydrophobicContact CG-CD1 4.15Å; Y416-L422 HydrophobicContact CG-CG 4.44Å; T418-L422 PolarHBondContact O-N 3.29Å; V419-L422 PolarHBondContact O-N 2.88Å; L422-S424 VanDerWaalsContact C-N 3.31Å; L422-S424 PolarHBondContact O-N 3.47Å; L422-D425 PolarHBondContact O-N 2.83Å; L422-L426 HydrophobicContact CD1-CD1 3.86Å; L422-L426 HydrophobicContact CD1-CD2 4.2Å; L422-L426 HydrophobicContact CD1-CG 3.79Å; L422-L426 HydrophobicContact CD2-CD1 4.45Å; L422-L426 HydrophobicContact CG-CD1 3.71Å; L422-L426 HydrophobicContact CG-CG 4.15Å; L422-L426 WeakPolarHBondContact O-CB 3.39Å; L422-L426 WeakPolarHBondContact O-CG 3.19Å; L422-L426 PolarHBondContact O-N 3.17Å
423	V	85.1	Confident	74.9	Confident	23 Å²	23	59.5 Å²	59.5	14%	0.139	32%	0.323	C	S	.	.	H	α-helix	trans	-63.1	-36.2	-179.6	168.7	0	0	0	0	112.1	M394 F396 V419 N420 L426 L427	M394-V423 HydrophobicContact CE-CG1 4.35Å; M394-V423 HydrophobicContact CE-CG2 3.85Å; M394-V423 HydrophobicContact SD-CG2 3.94Å; F396-V423 HydrophobicContact CE2-CB 4.48Å; F396-V423 HydrophobicContact CE2-CG1 4.02Å; F396-V423 HydrophobicContact CE2-CG2 3.93Å; F396-V423 HydrophobicContact CZ-CG1 3.94Å; V419-V423 HydrophobicContact CG1-CG2 3.92Å; V419-V423 WeakPolarHBondContact O-CB 3.26Å; V419-V423 VanDerWaalsContact O-CG2 3.24Å; V419-V423 WeakPolarHBondContact O-CG2 3.23Å; V419-V423 PolarHBondContact O-N 2.95Å; N420-V423 PolarHBondContact O-N 3.04Å; V423-L426 PolarHBondContact O-N 3.11Å; V423-L427 HydrophobicContact CG1-CD1 4Å; V423-L427 HydrophobicContact CG1-CG 4.49Å; V423-L427 WeakPolarHBondContact O-CB 3.46Å; V423-L427 VanDerWaalsContact O-CG 3.28Å; V423-L427 WeakPolarHBondContact O-CG 3.4Å; V423-L427 PolarHBondContact O-N 3.11Å
424	S	77.5	Confident	76.3	Confident	50 Å²	50	61.8 Å²	61.8	35%	0.35	31%	0.312	S	S	.	.	H	α-helix	trans	-64.7	-44.7	175.1	-167.2	0	0	0	0	112.2	N420 D421 L422 T428	N420-S424 WeakPolarHBondContact O-CB 3.45Å; N420-S424 PolarHBondContact O-N 3.34Å; D421-S424 PolarHBondContact O-N 3.33Å; L422-S424 VanDerWaalsContact C-N 3.31Å; L422-S424 PolarHBondContact O-N 3.47Å; S424-T428 WeakPolarHBondContact O-CB 3.36Å; S424-T428 PolarHBondContact O-N 3.45Å; S424-T428 PolarHBondContact O-OG1 3.35Å
425	D	73.6	Confident	76.6	Confident	20 Å²	20	61.6 Å²	61.6	11%	0.107	31%	0.311	C	S	.	.	H	α-helix	trans	-73.4	-29.3	178.7	-69.8	7.2	0	0	0	111.9	S310 T404 Y416 D421 L422 A429	S310-D425 WeakPolarHBondContact CB-OD1 3.46Å; S310-D425 VanDerWaalsContact CB-OD2 3.23Å; S310-D425 WeakPolarHBondContact CB-OD2 3.08Å; T404-D425 HydrophobicContact CG2-CB 3.76Å; Y416-D425 HydrophobicContact CE1-CB 4.13Å; Y416-D425 WeakPolarHBondContact CE1-OD2 3.39Å; Y416-D425 VanDerWaalsContact CZ-OD2 3.3Å; Y416-D425 WeakPolarHBondContact OH-CB 3.08Å; Y416-D425 VanDerWaalsContact OH-CG 3.32Å; Y416-D425 PolarHBondContact OH-OD2 3.43Å; D421-D425 PolarHBondContact O-N 2.59Å; D421-D425 VanDerWaalsContact O-N 3.15Å; L422-D425 PolarHBondContact O-N 2.83Å; D425-A429 VanDerWaalsContact O-CB 3.27Å; D425-A429 WeakPolarHBondContact O-CB 3.23Å; D425-A429 PolarHBondContact O-N 2.88Å
426	L	83.2	Confident	76	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-66.2	-47.6	172.1	-73.3	170.1	0	0	0	112.1	A391 F396 L400 I401 T404 L422 V423 T428 A429 E430	A391-L426 HydrophobicContact CB-CD1 3.89Å; F396-L426 HydrophobicContact CB-CD1 4.03Å; F396-L426 HydrophobicContact CD1-CB 3.89Å; F396-L426 HydrophobicContact CD1-CD1 4.05Å; F396-L426 HydrophobicContact CD1-CG 4.46Å; F396-L426 HydrophobicContact CD2-CD1 4Å; F396-L426 HydrophobicContact CE1-CB 3.88Å; F396-L426 HydrophobicContact CE2-CD1 4.46Å; F396-L426 HydrophobicContact CG-CB 4.47Å; F396-L426 HydrophobicContact CG-CD1 3.77Å; F396-L426 HydrophobicContact CZ-CB 4.46Å; L400-L426 HydrophobicContact CD2-CB 4.43Å; L400-L426 HydrophobicContact CD2-CD2 4.09Å; L400-L426 HydrophobicContact CG-CD2 3.88Å; I401-L426 HydrophobicContact CB-CD2 4.03Å; I401-L426 HydrophobicContact CG1-CD1 3.91Å; I401-L426 HydrophobicContact CG1-CD2 3.57Å; I401-L426 HydrophobicContact CG1-CG 4.43Å; I401-L426 HydrophobicContact CG2-CD2 4.48Å; T404-L426 HydrophobicContact CG2-CD2 4.25Å; L422-L426 HydrophobicContact CD1-CD1 3.86Å; L422-L426 HydrophobicContact CD1-CD2 4.2Å; L422-L426 HydrophobicContact CD1-CG 3.79Å; L422-L426 HydrophobicContact CD2-CD1 4.45Å; L422-L426 HydrophobicContact CG-CD1 3.71Å; L422-L426 HydrophobicContact CG-CG 4.15Å; L422-L426 WeakPolarHBondContact O-CB 3.39Å; L422-L426 WeakPolarHBondContact O-CG 3.19Å; L422-L426 PolarHBondContact O-N 3.17Å; V423-L426 PolarHBondContact O-N 3.11Å; L426-T428 VanDerWaalsContact C-N 3.28Å; L426-T428 PolarHBondContact O-N 3Å; L426-A429 PolarHBondContact O-N 3.39Å; L426-E430 WeakPolarHBondContact O-CB 3.46Å; L426-E430 PolarHBondContact O-N 3.15Å
427	L	80.6	Confident	75.5	Confident	84 Å²	84	67.3 Å²	67.3	44%	0.44	34%	0.337	S	S	.	.	H	α-helix	trans	-62.2	-39.9	176.4	-71.9	167.4	0	0	0	110.8	F396 V423 E430 D431	F396-L427 HydrophobicContact CE1-CD2 3.95Å; F396-L427 HydrophobicContact CE1-CG 4.14Å; F396-L427 HydrophobicContact CZ-CD2 4.01Å; F396-L427 HydrophobicContact CZ-CG 4.04Å; V423-L427 HydrophobicContact CG1-CD1 4Å; V423-L427 HydrophobicContact CG1-CG 4.49Å; V423-L427 WeakPolarHBondContact O-CB 3.46Å; V423-L427 VanDerWaalsContact O-CG 3.28Å; V423-L427 WeakPolarHBondContact O-CG 3.4Å; V423-L427 PolarHBondContact O-N 3.11Å; L427-E430 PolarHBondContact O-N 2.81Å; L427-D431 WeakPolarHBondContact O-CB 3.34Å; L427-D431 PolarHBondContact O-N 3.36Å
428	T	72.4	Confident	74.7	Confident	27 Å²	27	65 Å²	65	17%	0.166	33%	0.328	C	S	.	.	H	α-helix	trans	-63.4	-49.1	175.3	-56.8	0	0	0	0	111.2	S424 L426 E430 D431 E432	S424-T428 WeakPolarHBondContact O-CB 3.36Å; S424-T428 PolarHBondContact O-N 3.45Å; S424-T428 PolarHBondContact O-OG1 3.35Å; L426-T428 VanDerWaalsContact C-N 3.28Å; L426-T428 PolarHBondContact O-N 3Å; T428-E430 VanDerWaalsContact C-N 3.29Å; T428-E430 PolarHBondContact O-N 2.79Å; T428-D431 PolarHBondContact O-N 2.7Å; T428-E432 HydrophobicContact CG2-CG 4.45Å; T428-E432 WeakPolarHBondContact O-CB 3.43Å; T428-E432 WeakPolarHBondContact O-CG 3.14Å; T428-E432 PolarHBondContact O-N 3.38Å
429	A	71.8	Confident	73.2	Confident	23 Å²	23	66.1 Å²	66.1	19%	0.19	33%	0.328	C	S	.	.	H	α-helix	trans	-66	-27.8	177.5	0	0	0	0	0	113.3	L400 T404 D425 L426 K433	L400-A429 HydrophobicContact CD1-CB 3.86Å; T404-A429 WeakPolarHBondContact OG1-CB 3.39Å; D425-A429 VanDerWaalsContact O-CB 3.27Å; D425-A429 WeakPolarHBondContact O-CB 3.23Å; D425-A429 PolarHBondContact O-N 2.88Å; L426-A429 PolarHBondContact O-N 3.39Å; A429-K433 WeakPolarHBondContact O-CB 3.33Å; A429-K433 PolarHBondContact O-N 2.9Å
430	E	80.1	Confident	71.8	Confident	80 Å²	80	70.1 Å²	70.1	37%	0.374	34%	0.339	S	S	.	.	H	α-helix	trans	-74.1	-42.4	172.6	-168.7	173.8	-104.5	0	0	112.2	L400 L426 L427 T428 R434	L400-E430 HydrophobicContact CD2-CB 3.96Å; L426-E430 WeakPolarHBondContact O-CB 3.46Å; L426-E430 PolarHBondContact O-N 3.15Å; L427-E430 PolarHBondContact O-N 2.81Å; T428-E430 VanDerWaalsContact C-N 3.29Å; T428-E430 PolarHBondContact O-N 2.79Å; E430-R434 VanDerWaalsContact O-CB 3.27Å; E430-R434 WeakPolarHBondContact O-CB 3.19Å; E430-R434 PolarHBondContact O-N 2.88Å; E430-R434 IonicContact OE2-NH2 3.64Å; E430-R434 PolarHBondContact OE2-NH2 3.11Å
431	D	72.1	Confident	70.5	Confident	76 Å²	76	68.5 Å²	68.5	41%	0.406	33%	0.327	S	S	.	.	H	α-helix	trans	-65.1	-44.5	174.2	-83.8	-2.5	0	0	0	111.4	L427 T428 R434 E435	L427-D431 WeakPolarHBondContact O-CB 3.34Å; L427-D431 PolarHBondContact O-N 3.36Å; T428-D431 PolarHBondContact O-N 2.7Å; D431-R434 WeakPolarHBondContact O-CB 3.48Å; D431-R434 PolarHBondContact O-N 3.04Å; D431-R434 VanDerWaalsContact O-N 3.12Å; D431-R434 IonicContact OD1-CZ 3.63Å; D431-R434 IonicContact OD1-NH1 3.75Å; D431-R434 PolarHBondContact OD1-NH1 3.03Å; D431-R434 IonicContact OD1-NH2 2.69Å; D431-R434 PolarHBondContact OD1-NH2 2.85Å; D431-E435 PolarHBondContact O-N 3.07Å
432	E	70	Confident	69.4	Low	118 Å²	118	69.4 Å²	69.4	55%	0.551	34%	0.338	S	S	*	.	H	α-helix	trans	-58.6	-49.6	174.3	-75.4	-177.3	156.3	0	0	111.1	T428 R434 E435 E436	T428-E432 HydrophobicContact CG2-CG 4.45Å; T428-E432 WeakPolarHBondContact O-CB 3.43Å; T428-E432 WeakPolarHBondContact O-CG 3.14Å; T428-E432 PolarHBondContact O-N 3.38Å; E432-R434 PolarHBondContact O-N 3.47Å; E432-E435 CarbonylContact O-C 3.55Å; E432-E435 PolarHBondContact O-N 2.81Å; E432-E435 VanDerWaalsContact O-N 3.11Å; E432-E436 WeakPolarHBondContact O-CG 3.27Å; E432-E436 PolarHBondContact O-N 3.31Å
433	K	70.9	Confident	67.6	Low	89 Å²	89	73 Å²	73	39%	0.387	35%	0.354	S	S	.	.	H	α-helix	trans	-61.5	-31.7	175.2	-176.4	178.6	177.3	-173.9	0	112.6	A429 E437	A429-K433 WeakPolarHBondContact O-CB 3.33Å; A429-K433 PolarHBondContact O-N 2.9Å; K433-E437 WeakPolarHBondContact O-CB 3.26Å; K433-E437 PolarHBondContact O-N 2.96Å
434	R	74.3	Confident	65.8	Low	110 Å²	110	79 Å²	79	42%	0.415	38%	0.381	S	S	.	.	H	α-helix	trans	-71.5	-35.9	175.2	-162.1	-174	-55	131.9	10.2	111.6	E430 D431 E432 K438	E430-R434 VanDerWaalsContact O-CB 3.27Å; E430-R434 WeakPolarHBondContact O-CB 3.19Å; E430-R434 PolarHBondContact O-N 2.88Å; E430-R434 IonicContact OE2-NH2 3.64Å; E430-R434 PolarHBondContact OE2-NH2 3.11Å; D431-R434 WeakPolarHBondContact O-CB 3.48Å; D431-R434 PolarHBondContact O-N 3.04Å; D431-R434 VanDerWaalsContact O-N 3.12Å; D431-R434 IonicContact OD1-CZ 3.63Å; D431-R434 IonicContact OD1-NH1 3.75Å; D431-R434 PolarHBondContact OD1-NH1 3.03Å; D431-R434 IonicContact OD1-NH2 2.69Å; D431-R434 PolarHBondContact OD1-NH2 2.85Å; E432-R434 PolarHBondContact O-N 3.47Å; R434-K438 VanDerWaalsContact O-CG 3.23Å; R434-K438 WeakPolarHBondContact O-CG 3.34Å; R434-K438 PolarHBondContact O-N 3.24Å
435	E	60.7	Low	64.7	Low	102 Å²	102	82.3 Å²	82.3	48%	0.477	40%	0.399	S	S	.	.	H	α-helix	trans	-74	-37.3	172	-62.5	-49.5	125.9	0	0	112.3	D431 E432 E437 K438 E439	D431-E435 PolarHBondContact O-N 3.07Å; E432-E435 CarbonylContact O-C 3.55Å; E432-E435 PolarHBondContact O-N 2.81Å; E432-E435 VanDerWaalsContact O-N 3.11Å; E435-E437 VanDerWaalsContact C-N 3.35Å; E435-K438 PolarHBondContact O-N 2.86Å; E435-K438 IonicContact OE1-NZ 2.73Å; E435-K438 PolarHBondContact OE1-NZ 2.72Å; E435-K438 WeakPolarHBondContact OE2-CD 3.41Å; E435-K438 IonicContact OE2-NZ 2.68Å; E435-E439 WeakPolarHBondContact O-CB 3.5Å; E435-E439 PolarHBondContact O-N 2.82Å
436	E	59.4	Low	63.9	Low	109 Å²	109	82 Å²	82	51%	0.509	40%	0.399	S	S	.	.	H	α-helix	trans	-63.5	-39	171	-72.9	-170.4	150.8	0	0	112.1	E432 E439 R440	E432-E436 WeakPolarHBondContact O-CG 3.27Å; E432-E436 PolarHBondContact O-N 3.31Å; E436-E439 PolarHBondContact O-N 3.33Å; E436-R440 WeakPolarHBondContact O-CB 3.43Å; E436-R440 PolarHBondContact O-N 3.43Å
437	E	64.1	Low	63.1	Low	61 Å²	61	83.5 Å²	83.5	29%	0.285	41%	0.41	S	S	.	.	H	α-helix	trans	-67.2	-40.9	175.2	-174.2	66.5	-131.2	0	0	111.1	K433 E435 R440 Q441	K433-E437 WeakPolarHBondContact O-CB 3.26Å; K433-E437 PolarHBondContact O-N 2.96Å; E435-E437 VanDerWaalsContact C-N 3.35Å; E437-R440 VanDerWaalsContact CD-NH2 3.32Å; E437-R440 PolarHBondContact O-N 2.97Å; E437-R440 IonicContact OE1-CZ 3.84Å; E437-R440 IonicContact OE1-NH1 3.9Å; E437-R440 IonicContact OE1-NH2 3.73Å; E437-R440 PolarHBondContact OE1-NH2 3.14Å; E437-R440 IonicContact OE2-CZ 2.74Å; E437-R440 IonicContact OE2-NH1 2.96Å; E437-R440 PolarHBondContact OE2-NH1 2.77Å; E437-R440 IonicContact OE2-NH2 2.62Å; E437-R440 PolarHBondContact OE2-NH2 3.49Å; E437-R440 VanDerWaalsContact OE2-NH2 3.16Å; E437-Q441 WeakPolarHBondContact O-CB 3.13Å; E437-Q441 VanDerWaalsContact O-CG 3.22Å; E437-Q441 WeakPolarHBondContact O-CG 3.41Å; E437-Q441 PolarHBondContact O-N 3.07Å; E437-Q441 PolarHBondContact OE1-NE2 3.19Å
438	K	61.2	Low	62.9	Low	103 Å²	103	83.5 Å²	83.5	45%	0.448	41%	0.41	S	S	.	.	H	α-helix	trans	-63.4	-42	170.8	-73.8	165.9	-177.5	176	0	112.4	R434 E435 Q441 S442	R434-K438 VanDerWaalsContact O-CG 3.23Å; R434-K438 WeakPolarHBondContact O-CG 3.34Å; R434-K438 PolarHBondContact O-N 3.24Å; E435-K438 PolarHBondContact O-N 2.86Å; E435-K438 IonicContact OE1-NZ 2.73Å; E435-K438 PolarHBondContact OE1-NZ 2.72Å; E435-K438 WeakPolarHBondContact OE2-CD 3.41Å; E435-K438 IonicContact OE2-NZ 2.68Å; K438-Q441 PolarHBondContact O-N 3.15Å; K438-S442 WeakPolarHBondContact O-CB 3.47Å; K438-S442 PolarHBondContact O-N 3.38Å
439	E	54.4	Low	63.3	Low	83 Å²	83	83.7 Å²	83.7	39%	0.388	41%	0.41	S	S	.	.	H	α-helix	trans	-59.6	-54.6	175.9	-165.1	-177.9	-173.5	0	0	108.7	E435 E436 Q441 S442 E443 K593	E435-E439 WeakPolarHBondContact O-CB 3.5Å; E435-E439 PolarHBondContact O-N 2.82Å; E436-E439 PolarHBondContact O-N 3.33Å; E439-Q441 PolarHBondContact O-N 2.95Å; E439-S442 CarbonylContact O-C 3.49Å; E439-S442 WeakPolarHBondContact O-CA 3.19Å; E439-S442 WeakPolarHBondContact O-CB 3.24Å; E439-S442 PolarHBondContact O-N 3.21Å; E439-S442 PolarHBondContact O-OG 2.94Å; E439-E443 VanDerWaalsContact O-CG 3.24Å; E439-E443 WeakPolarHBondContact O-CG 3.33Å; E439-E443 PolarHBondContact O-N 2.67Å; E439-K593 IonicContact OE1-NZ 3.77Å; E439-K593 PolarHBondContact OE1-NZ 3.14Å; E439-K593 IonicContact OE2-NZ 2.86Å; E439-K593 PolarHBondContact OE2-NZ 3.3Å
440	R	54.5	Low	63.6	Low	127 Å²	127	83 Å²	83	48%	0.479	40%	0.403	S	S	.	.	H	α-helix	trans	-55.1	-44.4	175.1	-96.5	177.1	43.7	-108.3	-23	113.7	E436 E437 S442 E443 E444	E436-R440 WeakPolarHBondContact O-CB 3.43Å; E436-R440 PolarHBondContact O-N 3.43Å; E437-R440 VanDerWaalsContact CD-NH2 3.32Å; E437-R440 PolarHBondContact O-N 2.97Å; E437-R440 IonicContact OE1-CZ 3.84Å; E437-R440 IonicContact OE1-NH1 3.9Å; E437-R440 IonicContact OE1-NH2 3.73Å; E437-R440 PolarHBondContact OE1-NH2 3.14Å; E437-R440 IonicContact OE2-CZ 2.74Å; E437-R440 IonicContact OE2-NH1 2.96Å; E437-R440 PolarHBondContact OE2-NH1 2.77Å; E437-R440 IonicContact OE2-NH2 2.62Å; E437-R440 PolarHBondContact OE2-NH2 3.49Å; E437-R440 VanDerWaalsContact OE2-NH2 3.16Å; R440-S442 VanDerWaalsContact C-N 3.3Å; R440-S442 PolarHBondContact O-N 3.18Å; R440-E443 CarbonylContact O-C 3.57Å; R440-E443 WeakPolarHBondContact O-CA 3.41Å; R440-E443 WeakPolarHBondContact O-CB 3.45Å; R440-E443 PolarHBondContact O-N 3.16Å; R440-E444 WeakPolarHBondContact O-CB 3.49Å; R440-E444 PolarHBondContact O-N 2.89Å
441	Q	53.6	Low	63.5	Low	97 Å²	97	79.8 Å²	79.8	45%	0.453	39%	0.389	S	S	.	.	H	α-helix	trans	-66.1	-33.4	177.4	-72.9	172.2	13	0	0	111.7	E437 K438 E439 E443 E444 V445	E437-Q441 WeakPolarHBondContact O-CB 3.13Å; E437-Q441 VanDerWaalsContact O-CG 3.22Å; E437-Q441 WeakPolarHBondContact O-CG 3.41Å; E437-Q441 PolarHBondContact O-N 3.07Å; E437-Q441 PolarHBondContact OE1-NE2 3.19Å; K438-Q441 PolarHBondContact O-N 3.15Å; E439-Q441 PolarHBondContact O-N 2.95Å; Q441-E443 VanDerWaalsContact C-N 3.28Å; Q441-E443 PolarHBondContact O-N 2.93Å; Q441-E444 PolarHBondContact O-N 3.15Å; Q441-V445 WeakPolarHBondContact O-CG2 3.49Å; Q441-V445 PolarHBondContact O-N 2.74Å; Q441-V445 VanDerWaalsContact O-N 3.13Å
442	S	53.4	Low	63.9	Low	75 Å²	75	76.6 Å²	76.6	52%	0.524	37%	0.372	S	S	.	.	H	α-helix	trans	-70.7	-21.9	170	82.3	0	0	0	0	113.5	K438 E439 R440	K438-S442 WeakPolarHBondContact O-CB 3.47Å; K438-S442 PolarHBondContact O-N 3.38Å; E439-S442 CarbonylContact O-C 3.49Å; E439-S442 WeakPolarHBondContact O-CA 3.19Å; E439-S442 WeakPolarHBondContact O-CB 3.24Å; E439-S442 PolarHBondContact O-N 3.21Å; E439-S442 PolarHBondContact O-OG 2.94Å; R440-S442 VanDerWaalsContact C-N 3.3Å; R440-S442 PolarHBondContact O-N 3.18Å
443	E	47.4	Very low	64.5	Low	75 Å²	75	71 Å²	71	35%	0.35	35%	0.346	S	S	.	.	H	α-helix	trans	-83.7	-29.4	171	-52	-145.6	105.3	0	0	113.1	E439 R440 Q441 A446 R454	E439-E443 VanDerWaalsContact O-CG 3.24Å; E439-E443 WeakPolarHBondContact O-CG 3.33Å; E439-E443 PolarHBondContact O-N 2.67Å; R440-E443 CarbonylContact O-C 3.57Å; R440-E443 WeakPolarHBondContact O-CA 3.41Å; R440-E443 WeakPolarHBondContact O-CB 3.45Å; R440-E443 PolarHBondContact O-N 3.16Å; Q441-E443 VanDerWaalsContact C-N 3.28Å; Q441-E443 PolarHBondContact O-N 2.93Å; E443-A446 VanDerWaalsContact O-CB 3.31Å; E443-A446 WeakPolarHBondContact O-CB 3.48Å; E443-A446 PolarHBondContact O-N 3.37Å; E443-R454 WeakPolarHBondContact OE1-CD 3.45Å; E443-R454 IonicContact OE1-CZ 3.2Å; E443-R454 IonicContact OE1-NH1 2.69Å; E443-R454 PolarHBondContact OE1-NH1 2.88Å
444	E	45.8	Very low	64.9	Low	150 Å²	150	70.5 Å²	70.5	70%	0.701	34%	0.342	S	S	*	.	H	α-helix	trans	-78.3	-25	178.3	-168.4	167.2	-157	0	0	112.7	R440 Q441 A446	R440-E444 WeakPolarHBondContact O-CB 3.49Å; R440-E444 PolarHBondContact O-N 2.89Å; Q441-E444 PolarHBondContact O-N 3.15Å; E444-A446 VanDerWaalsContact C-N 3.31Å
445	V	55.2	Low	64.9	Low	120 Å²	120	70.2 Å²	70.2	73%	0.727	34%	0.344	S	S	*	.	S	Bend	trans	-80.3	-10.4	170.1	174.4	0	0	0	0	112.5	Q441 N510	Q441-V445 WeakPolarHBondContact O-CG2 3.49Å; Q441-V445 PolarHBondContact O-N 2.74Å; Q441-V445 VanDerWaalsContact O-N 3.13Å; V445-N510 PolarHBondContact O-ND2 3.39Å
446	A	56	Low	65.6	Low	14 Å²	14	66.5 Å²	66.5	12%	0.116	33%	0.327	C	S	.	.	S	Bend	trans	-76.2	145.3	168.7	0	0	0	0	0	110.5	E443 E444 L450	E443-A446 VanDerWaalsContact O-CB 3.31Å; E443-A446 WeakPolarHBondContact O-CB 3.48Å; E443-A446 PolarHBondContact O-N 3.37Å; E444-A446 VanDerWaalsContact C-N 3.31Å; A446-L450 HydrophobicContact CB-CB 4.16Å; A446-L450 HydrophobicContact CB-CD2 3.84Å; A446-L450 HydrophobicContact CB-CG 4.2Å
447	S	67.8	Low	66.6	Low	31 Å²	31	65.8 Å²	65.8	22%	0.217	32%	0.32	C	S	.	.			trans	-64.2	154.2	170.5	75.8	0	0	0	0	110.5	D449 L450 S451 N510	S447-D449 WeakPolarHBondContact CB-OD2 3.27Å; S447-D449 PolarHBondContact O-N 3.46Å; S447-D449 VanDerWaalsContact O-N 3.08Å; S447-D449 PolarHBondContact OG-OD2 3.27Å; S447-L450 PolarHBondContact O-N 3.13Å; S447-L450 PolarHBondContact OG-N 2.94Å; S447-S451 PolarHBondContact O-N 3.47Å; S447-N510 PolarHBondContact N-OD1 3.38Å
448	D	76.4	Confident	66.9	Low	84 Å²	84	64 Å²	64	45%	0.449	31%	0.312	S	S	.	.	H	α-helix	trans	-51	-38.2	176.1	-175.9	32.3	0	0	0	110.5	S451 L452 K535	D448-S451 CarbonylContact O-C 3.56Å; D448-S451 WeakPolarHBondContact O-CA 3.42Å; D448-S451 VanDerWaalsContact O-CB 3.31Å; D448-S451 WeakPolarHBondContact O-CB 3.3Å; D448-S451 PolarHBondContact O-N 3.27Å; D448-S451 PolarHBondContact O-OG 3.39Å; D448-S451 PolarHBondContact OD1-OG 3.01Å; D448-L452 WeakPolarHBondContact O-CB 3.42Å; D448-L452 WeakPolarHBondContact O-CG 3.03Å; D448-L452 PolarHBondContact O-N 2.83Å; D448-K535 IonicContact OD1-NZ 3.22Å; D448-K535 PolarHBondContact OD1-NZ 3.13Å; D448-K535 IonicContact OD2-NZ 3.38Å; D448-K535 PolarHBondContact OD2-NZ 3.03Å
449	D	80.2	Confident	67.6	Low	31 Å²	31	59.4 Å²	59.4	17%	0.166	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-47	174.5	-17.1	-75.5	0	0	0	114.1	S447 S451 L452 I453 A513 R517 F532	S447-D449 WeakPolarHBondContact CB-OD2 3.27Å; S447-D449 PolarHBondContact O-N 3.46Å; S447-D449 VanDerWaalsContact O-N 3.08Å; S447-D449 PolarHBondContact OG-OD2 3.27Å; D449-S451 VanDerWaalsContact C-N 3.26Å; D449-S451 PolarHBondContact O-N 2.62Å; D449-L452 PolarHBondContact O-N 2.67Å; D449-I453 VanDerWaalsContact O-CG1 3.28Å; D449-I453 WeakPolarHBondContact O-CG1 3.23Å; D449-I453 PolarHBondContact O-N 3.21Å; D449-A513 HydrophobicContact CB-CB 4.41Å; D449-R517 IonicContact OD1-CZ 3.71Å; D449-R517 IonicContact OD1-NE 3.46Å; D449-R517 PolarHBondContact OD1-NE 3Å; D449-R517 IonicContact OD1-NH1 2.83Å; D449-R517 PolarHBondContact OD1-NH1 3.48Å; D449-R517 IonicContact OD1-NH2 3.26Å; D449-R517 PolarHBondContact OD1-NH2 2.95Å; D449-R517 IonicContact OD2-CZ 3.71Å; D449-R517 IonicContact OD2-NH1 2.83Å; D449-R517 PolarHBondContact OD2-NH1 3.39Å; D449-R517 IonicContact OD2-NH2 2.6Å; D449-R517 PolarHBondContact OD2-NH2 3.41Å; D449-F532 HydrophobicContact CB-CE1 3.9Å
450	L	78.7	Confident	68.8	Low	8 Å²	8	55.5 Å²	55.5	4%	0.042	28%	0.275	C	S	.	.	H	α-helix	trans	-66.8	-34	176.7	-175.4	68.4	0	0	0	110.2	A446 S447 R454 L506 N510 A513	A446-L450 HydrophobicContact CB-CB 4.16Å; A446-L450 HydrophobicContact CB-CD2 3.84Å; A446-L450 HydrophobicContact CB-CG 4.2Å; S447-L450 PolarHBondContact O-N 3.13Å; S447-L450 PolarHBondContact OG-N 2.94Å; L450-R454 VanDerWaalsContact O-CB 3.26Å; L450-R454 WeakPolarHBondContact O-CB 3.45Å; L450-R454 PolarHBondContact O-N 2.59Å; L450-L506 HydrophobicContact CD1-CD2 3.94Å; L450-N510 WeakPolarHBondContact CD2-OD1 3.34Å; L450-A513 HydrophobicContact CB-CB 3.92Å; L450-A513 HydrophobicContact CD1-CB 3.96Å
451	S	77.2	Confident	70	Confident	12 Å²	12	49.6 Å²	49.6	8%	0.084	25%	0.252	C	S	.	.	H	α-helix	trans	-62.4	-44.7	170.3	112.2	0	0	0	0	111.6	S447 D448 D449 R454 K455	S447-S451 PolarHBondContact O-N 3.47Å; D448-S451 CarbonylContact O-C 3.56Å; D448-S451 WeakPolarHBondContact O-CA 3.42Å; D448-S451 VanDerWaalsContact O-CB 3.31Å; D448-S451 WeakPolarHBondContact O-CB 3.3Å; D448-S451 PolarHBondContact O-N 3.27Å; D448-S451 PolarHBondContact O-OG 3.39Å; D448-S451 PolarHBondContact OD1-OG 3.01Å; D449-S451 VanDerWaalsContact C-N 3.26Å; D449-S451 PolarHBondContact O-N 2.62Å; S451-R454 PolarHBondContact O-N 3.27Å; S451-K455 VanDerWaalsContact O-CB 3.27Å; S451-K455 WeakPolarHBondContact O-CB 3.32Å; S451-K455 WeakPolarHBondContact O-CD 3.36Å; S451-K455 WeakPolarHBondContact O-CG 3.32Å; S451-K455 PolarHBondContact O-N 2.86Å; S451-K455 PolarHBondContact OG-NZ 3.46Å
452	L	81.7	Confident	70.8	Confident	10 Å²	10	48.2 Å²	48.2	5%	0.052	25%	0.246	C	C	.	.	H	α-helix	trans	-68.8	-42.4	-178.1	-73.7	164.1	0	0	0	111.8	D448 D449 R454 K455 N456 L531 F532 K535	D448-L452 WeakPolarHBondContact O-CB 3.42Å; D448-L452 WeakPolarHBondContact O-CG 3.03Å; D448-L452 PolarHBondContact O-N 2.83Å; D449-L452 PolarHBondContact O-N 2.67Å; L452-R454 VanDerWaalsContact C-N 3.32Å; L452-R454 PolarHBondContact O-N 3.47Å; L452-K455 PolarHBondContact O-N 3.35Å; L452-N456 WeakPolarHBondContact O-CB 3.22Å; L452-N456 PolarHBondContact O-N 3.37Å; L452-N456 PolarHBondContact O-ND2 3.27Å; L452-L531 HydrophobicContact CB-CD1 4.47Å; L452-F532 HydrophobicContact CB-CE1 4.35Å; L452-F532 HydrophobicContact CD1-CD1 3.91Å; L452-F532 HydrophobicContact CD1-CE1 4.44Å; L452-K535 HydrophobicContact CD2-CD 3.86Å; L452-K535 HydrophobicContact CD2-CG 4.01Å
453	I	82.6	Confident	72.1	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.1	-40.7	173.9	-64	163.8	0	0	0	110.1	D449 R457 L460 I502 V505 L506 A513 F516 L531 F532	D449-I453 VanDerWaalsContact O-CG1 3.28Å; D449-I453 WeakPolarHBondContact O-CG1 3.23Å; D449-I453 PolarHBondContact O-N 3.21Å; I453-R457 WeakPolarHBondContact O-CA 3.29Å; I453-R457 PolarHBondContact O-N 2.82Å; I453-R457 VanDerWaalsContact O-N 3.08Å; I453-L460 HydrophobicContact CB-CD1 4.49Å; I453-L460 HydrophobicContact CG2-CD1 4.16Å; I453-I502 HydrophobicContact CG2-CD1 4.13Å; I453-I502 HydrophobicContact CG2-CG2 4.25Å; I453-V505 HydrophobicContact CD1-CG1 4.07Å; I453-V505 HydrophobicContact CG2-CG1 4.42Å; I453-L506 HydrophobicContact CB-CD2 4.47Å; I453-L506 HydrophobicContact CG2-CD2 4.05Å; I453-L506 HydrophobicContact CG2-CG 4.28Å; I453-A513 HydrophobicContact CD1-CB 3.73Å; I453-F516 HydrophobicContact CD1-CB 4.26Å; I453-F516 HydrophobicContact CD1-CD1 3.5Å; I453-F516 VanDerWaalsContact CD1-CD1 3.5Å; I453-F516 HydrophobicContact CD1-CE1 4.12Å; I453-F516 HydrophobicContact CD1-CG 4.02Å; I453-F516 HydrophobicContact CG1-CD1 3.94Å; I453-F516 HydrophobicContact CG1-CE1 4.05Å; I453-L531 HydrophobicContact CG1-CD2 4.48Å; I453-F532 HydrophobicContact CD1-CZ 4.21Å; I453-F532 HydrophobicContact CG1-CE1 4.4Å; I453-F532 HydrophobicContact CG1-CZ 4.04Å
454	R	78.2	Confident	73.9	Confident	79 Å²	79	45.7 Å²	45.7	30%	0.298	22%	0.222	S	C	.	.	H	α-helix	trans	-66.1	-45.3	176.6	-169.1	-175.5	-60.4	154.6	2.6	112.1	E443 L450 S451 L452 N456 R457 L506	E443-R454 WeakPolarHBondContact OE1-CD 3.45Å; E443-R454 IonicContact OE1-CZ 3.2Å; E443-R454 IonicContact OE1-NH1 2.69Å; E443-R454 PolarHBondContact OE1-NH1 2.88Å; L450-R454 VanDerWaalsContact O-CB 3.26Å; L450-R454 WeakPolarHBondContact O-CB 3.45Å; L450-R454 PolarHBondContact O-N 2.59Å; S451-R454 PolarHBondContact O-N 3.27Å; L452-R454 VanDerWaalsContact C-N 3.32Å; L452-R454 PolarHBondContact O-N 3.47Å; R454-N456 VanDerWaalsContact C-N 3.34Å; R454-N456 PolarHBondContact O-N 3.03Å; R454-R457 WeakPolarHBondContact O-CB 3.23Å; R454-R457 PolarHBondContact O-N 3.46Å; R454-L506 HydrophobicContact CB-CD2 3.7Å; R454-L506 HydrophobicContact CG-CD2 4.25Å
455	K	73.6	Confident	75.7	Confident	104 Å²	104	43.4 Å²	43.4	45%	0.452	22%	0.219	S	C	.	.	H	α-helix	trans	-63.2	-36.3	179.5	-77.8	164.9	-177.5	163.9	0	112.6	S451 L452 R598	S451-K455 VanDerWaalsContact O-CB 3.27Å; S451-K455 WeakPolarHBondContact O-CB 3.32Å; S451-K455 WeakPolarHBondContact O-CD 3.36Å; S451-K455 WeakPolarHBondContact O-CG 3.32Å; S451-K455 PolarHBondContact O-N 2.86Å; S451-K455 PolarHBondContact OG-NZ 3.46Å; L452-K455 PolarHBondContact O-N 3.35Å; K455-R598 PolarHBondContact O-NH2 2.89Å
456	N	76.4	Confident	77.3	Confident	24 Å²	24	38.6 Å²	38.6	13%	0.128	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	9.6	-176.1	-64.3	-72.5	0	0	0	114	L452 R454 M458 A459 L460 L531	L452-N456 WeakPolarHBondContact O-CB 3.22Å; L452-N456 PolarHBondContact O-N 3.37Å; L452-N456 PolarHBondContact O-ND2 3.27Å; R454-N456 VanDerWaalsContact C-N 3.34Å; R454-N456 PolarHBondContact O-N 3.03Å; N456-M458 VanDerWaalsContact C-N 3.29Å; N456-M458 PolarHBondContact O-N 3.28Å; N456-M458 VanDerWaalsContact O-N 3.09Å; N456-A459 PolarHBondContact O-N 2.94Å; N456-L460 HydrophobicContact CB-CD1 4.25Å; N456-L460 HydrophobicContact CB-CG 4.31Å; N456-L460 WeakPolarHBondContact O-CG 3.19Å; N456-L460 PolarHBondContact O-N 2.77Å; N456-L531 HydrophobicContact CB-CD1 3.65Å; N456-L531 WeakPolarHBondContact ND2-CD1 3.49Å
457	R	79.1	Confident	78.8	Confident	93 Å²	93	38 Å²	38	35%	0.351	19%	0.185	S	C	.	.	H	α-helix	trans	-45.3	-45.3	-173.6	-174.6	-179	178.9	-154.5	-6.3	114.1	I453 R454 L460 F461 I502 D503 L506	I453-R457 WeakPolarHBondContact O-CA 3.29Å; I453-R457 PolarHBondContact O-N 2.82Å; I453-R457 VanDerWaalsContact O-N 3.08Å; R454-R457 WeakPolarHBondContact O-CB 3.23Å; R454-R457 PolarHBondContact O-N 3.46Å; R457-L460 PolarHBondContact O-N 3.37Å; R457-F461 HydrophobicContact CG-CD1 4.35Å; R457-F461 HydrophobicContact CG-CE1 3.54Å; R457-F461 HydrophobicContact CG-CE2 4.22Å; R457-F461 HydrophobicContact CG-CZ 3.48Å; R457-F461 VanDerWaalsContact CG-CZ 3.48Å; R457-F461 WeakPolarHBondContact O-CD1 3.31Å; R457-F461 VanDerWaalsContact O-CG 3.26Å; R457-F461 WeakPolarHBondContact O-CG 3.42Å; R457-F461 PolarHBondContact O-N 2.89Å; R457-I502 HydrophobicContact CG-CG2 3.91Å; R457-D503 IonicContact CZ-OD1 2.68Å; R457-D503 IonicContact CZ-OD2 3.38Å; R457-D503 IonicContact NE-OD1 2.87Å; R457-D503 PolarHBondContact NE-OD1 2.83Å; R457-D503 IonicContact NH2-OD1 2.94Å; R457-D503 PolarHBondContact NH2-OD1 3.23Å; R457-D503 IonicContact NH2-OD2 3.11Å; R457-D503 PolarHBondContact NH2-OD2 3.15Å; R457-L506 HydrophobicContact CG-CD1 4.03Å
458	M	71	Confident	79.9	Confident	24 Å²	24	39.7 Å²	39.7	12%	0.118	19%	0.191	C	C	.	.	H	α-helix	trans	-65.5	-44.8	179.9	-63.3	-57.3	95.4	0	0	113	N456 L460 F461 K564 P595 I596	N456-M458 VanDerWaalsContact C-N 3.29Å; N456-M458 PolarHBondContact O-N 3.28Å; N456-M458 VanDerWaalsContact O-N 3.09Å; M458-L460 VanDerWaalsContact C-N 3.31Å; M458-L460 PolarHBondContact O-N 3.02Å; M458-F461 HydrophobicContact CE-CD2 3.76Å; M458-F461 HydrophobicContact CE-CE2 3.27Å; M458-F461 HydrophobicContact CE-CZ 3.92Å; M458-F461 PolarHBondContact O-N 3.37Å; M458-F461 HydrophobicContact SD-CD2 4.3Å; M458-F461 HydrophobicContact SD-CE2 4.26Å; M458-K564 HydrophobicContact SD-CB 4.06Å; M458-P595 HydrophobicContact CG-CB 3.79Å; M458-P595 WeakPolarHBondContact CG-O 3.46Å; M458-P595 HydrophobicContact SD-CB 3.62Å; M458-I596 HydrophobicContact CG-CD1 4.46Å
459	A	75.3	Confident	80.6	Confident	7 Å²	7	37.6 Å²	37.6	6%	0.058	18%	0.182	C	C	.	.	H	α-helix	trans	-69.1	-32.2	178.1	0	0	0	0	0	111.5	N456 Q462 R463 V537	N456-A459 PolarHBondContact O-N 2.94Å; A459-Q462 PolarHBondContact O-N 3.07Å; A459-R463 WeakPolarHBondContact O-CB 3.36Å; A459-R463 PolarHBondContact O-N 2.85Å; A459-V537 HydrophobicContact CB-CG1 3.56Å
460	L	81.2	Confident	81.2	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-69.3	-33.9	174.5	-64.3	173.6	0	0	0	112.7	I453 N456 R457 M458 Q462 L464 I502 L527 L531	I453-L460 HydrophobicContact CB-CD1 4.49Å; I453-L460 HydrophobicContact CG2-CD1 4.16Å; N456-L460 HydrophobicContact CB-CD1 4.25Å; N456-L460 HydrophobicContact CB-CG 4.31Å; N456-L460 WeakPolarHBondContact O-CG 3.19Å; N456-L460 PolarHBondContact O-N 2.77Å; R457-L460 PolarHBondContact O-N 3.37Å; M458-L460 VanDerWaalsContact C-N 3.31Å; M458-L460 PolarHBondContact O-N 3.02Å; L460-Q462 PolarHBondContact O-N 3.17Å; L460-L464 WeakPolarHBondContact O-CB 3.49Å; L460-L464 PolarHBondContact O-N 3.21Å; L460-I502 HydrophobicContact CB-CD1 3.98Å; L460-I502 HydrophobicContact CB-CG1 4.23Å; L460-I502 HydrophobicContact CD1-CD1 4.01Å; L460-L527 HydrophobicContact CD2-CD1 4.17Å; L460-L527 HydrophobicContact CD2-CD2 4.2Å; L460-L527 HydrophobicContact CD2-CG 4.3Å; L460-L531 HydrophobicContact CD1-CD1 4.24Å; L460-L531 HydrophobicContact CD1-CD2 3.97Å; L460-L531 HydrophobicContact CD2-CD1 4.47Å; L460-L531 HydrophobicContact CD2-CD2 3.91Å
461	F	79.8	Confident	81.8	Confident	3 Å²	3	35.8 Å²	35.8	1%	0.013	17%	0.173	C	C	.	.	H	α-helix	trans	-60.4	-25.1	172.1	-63.6	-13	0	0	0	113.4	R457 M458 R499 I502 D503 M567	R457-F461 HydrophobicContact CG-CD1 4.35Å; R457-F461 HydrophobicContact CG-CE1 3.54Å; R457-F461 HydrophobicContact CG-CE2 4.22Å; R457-F461 HydrophobicContact CG-CZ 3.48Å; R457-F461 VanDerWaalsContact CG-CZ 3.48Å; R457-F461 WeakPolarHBondContact O-CD1 3.31Å; R457-F461 VanDerWaalsContact O-CG 3.26Å; R457-F461 WeakPolarHBondContact O-CG 3.42Å; R457-F461 PolarHBondContact O-N 2.89Å; M458-F461 HydrophobicContact CE-CD2 3.76Å; M458-F461 HydrophobicContact CE-CE2 3.27Å; M458-F461 HydrophobicContact CE-CZ 3.92Å; M458-F461 PolarHBondContact O-N 3.37Å; M458-F461 HydrophobicContact SD-CD2 4.3Å; M458-F461 HydrophobicContact SD-CE2 4.26Å; F461-R499 HydrophobicContact CD1-CB 4.17Å; F461-R499 HydrophobicContact CD1-CG 4.16Å; F461-R499 HydrophobicContact CD2-CG 4.26Å; F461-R499 HydrophobicContact CE1-CB 4.16Å; F461-R499 HydrophobicContact CE1-CG 3.7Å; F461-R499 HydrophobicContact CE2-CG 3.8Å; F461-R499 HydrophobicContact CG-CB 4.43Å; F461-R499 HydrophobicContact CG-CG 4.42Å; F461-R499 HydrophobicContact CZ-CB 4.39Å; F461-R499 HydrophobicContact CZ-CG 3.5Å; F461-R499 VanDerWaalsContact CZ-CG 3.5Å; F461-I502 HydrophobicContact CD1-CB 4.2Å; F461-I502 HydrophobicContact CD1-CG1 4.49Å; F461-I502 HydrophobicContact CD1-CG2 4.22Å; F461-I502 HydrophobicContact CE1-CB 3.91Å; F461-I502 HydrophobicContact CE1-CG2 3.71Å; F461-D503 WeakPolarHBondContact CZ-OD1 3.36Å; F461-M567 HydrophobicContact CB-CE 3.71Å; F461-M567 HydrophobicContact CD2-CE 4.05Å; F461-M567 HydrophobicContact CG-CE 4.4Å
462	Q	70.7	Confident	82.6	Confident	68 Å²	68	40 Å²	40	32%	0.318	19%	0.191	S	C	.	.	H	α-helix	trans	-98.3	-43.7	-178.6	-66.2	176.1	-35.2	0	0	112.7	A459 L460 M567	A459-Q462 PolarHBondContact O-N 3.07Å; L460-Q462 PolarHBondContact O-N 3.17Å; Q462-M567 HydrophobicContact CG-CE 4.4Å
463	R	80.1	Confident	83.1	Confident	94 Å²	94	41.6 Å²	41.6	36%	0.355	20%	0.203	S	C	.	.	H	α-helix	trans	-87	-19.9	-174.1	-64.9	-174.1	63.3	-170.5	-8.8	114.3	A459 T465 L527 D530	A459-R463 WeakPolarHBondContact O-CB 3.36Å; A459-R463 PolarHBondContact O-N 2.85Å; R463-T465 PolarHBondContact O-N 2.63Å; R463-T465 VanDerWaalsContact O-N 3.1Å; R463-L527 HydrophobicContact CB-CD1 3.98Å; R463-L527 HydrophobicContact CB-CD2 4.04Å; R463-D530 IonicContact CZ-OD2 2.76Å; R463-D530 IonicContact NH1-OD2 2.65Å; R463-D530 PolarHBondContact NH1-OD2 3.45Å; R463-D530 IonicContact NH2-OD2 3.7Å; R463-D530 PolarHBondContact NH2-OD2 2.78Å
464	L	84.7	Confident	83.5	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.021	20%	0.203	C	C	.	.			trans	-78	98.2	-175.7	-172.3	72.9	0	0	0	112.2	L460 V467 I470 A498 L501 I502 F516 L520 L527	L460-L464 WeakPolarHBondContact O-CB 3.49Å; L460-L464 PolarHBondContact O-N 3.21Å; L464-V467 HydrophobicContact CD2-CG2 4.36Å; L464-V467 HydrophobicContact CG-CG2 4.34Å; L464-V467 WeakPolarHBondContact O-CG2 3.24Å; L464-I470 HydrophobicContact CD1-CD1 3.86Å; L464-I470 HydrophobicContact CD2-CD1 4.44Å; L464-A498 HydrophobicContact CB-CB 4.27Å; L464-A498 HydrophobicContact CD2-CB 4.31Å; L464-L501 HydrophobicContact CD2-CD2 3.9Å; L464-I502 HydrophobicContact CD2-CD1 4.09Å; L464-I502 HydrophobicContact CD2-CG1 4.06Å; L464-F516 HydrophobicContact CD1-CE2 4.15Å; L464-F516 HydrophobicContact CD1-CZ 4.08Å; L464-F516 HydrophobicContact CD2-CE2 3.85Å; L464-F516 HydrophobicContact CD2-CZ 4.35Å; L464-L520 HydrophobicContact CD1-CD1 3.78Å; L464-L527 HydrophobicContact CB-CD2 4.49Å; L464-L527 HydrophobicContact CD1-CD2 4.19Å
465	T	83.9	Confident	84.2	Confident	102 Å²	102	40 Å²	40	63%	0.626	20%	0.2	S	C	*	.			trans	-89.4	-31.5	176.2	58	0	0	0	0	113.1	R463 V467	R463-T465 PolarHBondContact O-N 2.63Å; R463-T465 VanDerWaalsContact O-N 3.1Å; T465-V467 PolarHBondContact O-N 3.27Å
466	C	87.8	Confident	85.2	Confident	18 Å²	18	40 Å²	40	12%	0.122	21%	0.213	C	C	.	.			trans	-82.1	41	-172.9	58.1	0	0	0	0	114.4	P469 I470 R523	C466-P469 WeakPolarHBondContact O-CD 3.32Å; C466-I470 WeakPolarHBondContact O-CG1 3.07Å; C466-R523 HydrophobicContact CB-CB 4.15Å
467	V	89.1	Confident	85.9	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-50.8	-171.6	-172.6	0	0	0	0	113	L464 T465 I470 L471 T494 Q497 A498 L501	L464-V467 HydrophobicContact CD2-CG2 4.36Å; L464-V467 HydrophobicContact CG-CG2 4.34Å; L464-V467 WeakPolarHBondContact O-CG2 3.24Å; T465-V467 PolarHBondContact O-N 3.27Å; V467-I470 PolarHBondContact O-N 2.96Å; V467-L471 WeakPolarHBondContact O-CB 3.46Å; V467-L471 PolarHBondContact O-N 3.39Å; V467-T494 HydrophobicContact CG2-CG2 3.9Å; V467-Q497 HydrophobicContact CB-CB 4.45Å; V467-Q497 HydrophobicContact CG1-CB 3.78Å; V467-A498 HydrophobicContact CG2-CB 3.74Å; V467-L501 HydrophobicContact CB-CD2 4.3Å; V467-L501 HydrophobicContact CG1-CB 3.98Å; V467-L501 HydrophobicContact CG1-CD2 3.6Å; V467-L501 HydrophobicContact CG1-CG 4.39Å
468	L	90.3	Very high	86.5	Confident	67 Å²	67	46 Å²	46	35%	0.351	25%	0.25	S	S	.	.	H	α-helix	trans	-63.5	-46	-172.8	-59.9	176	0	0	0	113.4	I470 L471 E472 K489	L468-I470 VanDerWaalsContact C-N 3.26Å; L468-I470 PolarHBondContact O-N 3.36Å; L468-L471 HydrophobicContact CD2-CD2 4.38Å; L468-L471 WeakPolarHBondContact O-CB 3.37Å; L468-L471 PolarHBondContact O-N 3.18Å; L468-L471 VanDerWaalsContact O-N 3.14Å; L468-E472 WeakPolarHBondContact O-CG 3.28Å; L468-E472 PolarHBondContact O-N 3.42Å; L468-K489 HydrophobicContact CD2-CG 4.23Å
469	P	91.8	Very high	87.3	Confident	41 Å²	41	46.3 Å²	46.3	27%	0.266	25%	0.253	S	S	.	.	H	α-helix	trans	-58.4	-32.3	175.1	-27.9	35.6	0	0	0	114.9	C466 S473 R523	C466-P469 WeakPolarHBondContact O-CD 3.32Å; P469-S473 WeakPolarHBondContact O-CB 3.48Å; P469-S473 PolarHBondContact O-N 2.93Å; P469-S473 PolarHBondContact O-OG 3.4Å; P469-R523 HydrophobicContact CB-CG 4.24Å
470	I	92.1	Very high	88	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-74.3	-42.7	176.7	-58.6	169.5	0	0	0	109.9	L464 C466 V467 L468 S473 L474 L501 F516 C519	L464-I470 HydrophobicContact CD1-CD1 3.86Å; L464-I470 HydrophobicContact CD2-CD1 4.44Å; C466-I470 WeakPolarHBondContact O-CG1 3.07Å; V467-I470 PolarHBondContact O-N 2.96Å; L468-I470 VanDerWaalsContact C-N 3.26Å; L468-I470 PolarHBondContact O-N 3.36Å; I470-S473 WeakPolarHBondContact O-CB 3.45Å; I470-S473 PolarHBondContact O-N 2.95Å; I470-L474 HydrophobicContact CG2-CD1 4.32Å; I470-L474 WeakPolarHBondContact O-CG 3.47Å; I470-L474 PolarHBondContact O-N 3.3Å; I470-L501 HydrophobicContact CB-CD2 3.9Å; I470-L501 HydrophobicContact CD1-CD2 4.35Å; I470-L501 HydrophobicContact CG2-CD1 4.2Å; I470-L501 HydrophobicContact CG2-CD2 3.96Å; I470-F516 HydrophobicContact CD1-CD2 4.11Å; I470-F516 HydrophobicContact CD1-CE2 3.92Å; I470-F516 HydrophobicContact CG2-CB 4.49Å; I470-F516 HydrophobicContact CG2-CD2 3.9Å; I470-C519 HydrophobicContact CB-CB 4.4Å; I470-C519 HydrophobicContact CG1-CB 3.77Å; I470-C519 HydrophobicContact CG2-CB 4.47Å
471	L	91.3	Very high	88.4	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-45	177.2	-170.2	70.5	0	0	0	112	V467 L468 S473 L474 L475 I480 I488 K489 L501	V467-L471 WeakPolarHBondContact O-CB 3.46Å; V467-L471 PolarHBondContact O-N 3.39Å; L468-L471 HydrophobicContact CD2-CD2 4.38Å; L468-L471 WeakPolarHBondContact O-CB 3.37Å; L468-L471 PolarHBondContact O-N 3.18Å; L468-L471 VanDerWaalsContact O-N 3.14Å; L471-S473 VanDerWaalsContact C-N 3.31Å; L471-S473 PolarHBondContact O-N 3.26Å; L471-L474 PolarHBondContact O-N 2.79Å; L471-L475 PolarHBondContact O-N 3.34Å; L471-L475 VanDerWaalsContact O-N 3.08Å; L471-I480 HydrophobicContact CD1-CD1 3.58Å; L471-I480 HydrophobicContact CG-CD1 4.21Å; L471-I488 HydrophobicContact CD1-CB 3.9Å; L471-I488 HydrophobicContact CD1-CD1 3.55Å; L471-I488 HydrophobicContact CD1-CG1 4.32Å; L471-I488 HydrophobicContact CD1-CG2 3.87Å; L471-I488 HydrophobicContact CD2-CB 4.02Å; L471-I488 HydrophobicContact CD2-CG2 3.9Å; L471-K489 HydrophobicContact CD2-CB 4.16Å; L471-L501 HydrophobicContact CB-CD1 4.37Å; L471-L501 HydrophobicContact CD1-CD1 3.98Å
472	E	93.1	Very high	88.8	Confident	101 Å²	101	55.8 Å²	55.8	47%	0.472	30%	0.302	S	S	.	.	H	α-helix	trans	-61.4	-38.7	173.9	-71.5	171.2	172.9	0	0	111.9	L468 L475 S476	L468-E472 WeakPolarHBondContact O-CG 3.28Å; L468-E472 PolarHBondContact O-N 3.42Å; E472-L475 PolarHBondContact O-N 2.94Å; E472-S476 WeakPolarHBondContact O-CB 3.36Å; E472-S476 PolarHBondContact O-N 2.94Å
473	S	92.4	Very high	89.4	Confident	42 Å²	42	58.8 Å²	58.8	29%	0.294	32%	0.32	S	S	.	.	H	α-helix	trans	-69.5	-37.6	178.1	-58.8	0	0	0	0	112.7	P469 I470 L471 S476 A477 C519	P469-S473 WeakPolarHBondContact O-CB 3.48Å; P469-S473 PolarHBondContact O-N 2.93Å; P469-S473 PolarHBondContact O-OG 3.4Å; I470-S473 WeakPolarHBondContact O-CB 3.45Å; I470-S473 PolarHBondContact O-N 2.95Å; L471-S473 VanDerWaalsContact C-N 3.31Å; L471-S473 PolarHBondContact O-N 3.26Å; S473-S476 PolarHBondContact O-N 3.02Å; S473-A477 WeakPolarHBondContact O-CB 3.36Å; S473-A477 PolarHBondContact O-N 3.3Å; S473-C519 WeakPolarHBondContact CB-SG 3.39Å; S473-C519 PolarHBondContact OG-SG 2.91Å
474	L	91.8	Very high	89.6	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-65.8	-36.8	173.4	-71.8	168.5	0	0	0	112.3	I470 L471 K478 V479 I480 L501 V505 A512 I515	I470-L474 HydrophobicContact CG2-CD1 4.32Å; I470-L474 WeakPolarHBondContact O-CG 3.47Å; I470-L474 PolarHBondContact O-N 3.3Å; L471-L474 PolarHBondContact O-N 2.79Å; L474-K478 PolarHBondContact O-N 3.03Å; L474-V479 HydrophobicContact CD2-CB 4.34Å; L474-V479 HydrophobicContact CD2-CG1 4.26Å; L474-V479 PolarHBondContact O-N 2.93Å; L474-I480 HydrophobicContact CB-CD1 3.89Å; L474-I480 HydrophobicContact CB-CG1 3.97Å; L474-I480 HydrophobicContact CB-CG2 4.27Å; L474-I480 PolarHBondContact O-N 2.8Å; L474-L501 HydrophobicContact CD1-CD1 3.48Å; L474-L501 VanDerWaalsContact CD1-CD1 3.48Å; L474-V505 HydrophobicContact CD1-CG2 3.78Å; L474-A512 HydrophobicContact CD2-CB 3.87Å; L474-I515 HydrophobicContact CD2-CB 3.88Å; L474-I515 HydrophobicContact CD2-CD1 3.92Å; L474-I515 HydrophobicContact CD2-CG2 3.83Å; L474-I515 HydrophobicContact CG-CG2 4.12Å
475	L	93.1	Very high	90	Very high	46 Å²	46	57.9 Å²	57.9	24%	0.241	32%	0.32	C	S	.	.	H	α-helix	trans	-69.5	-45.6	175.2	-177	67.1	0	0	0	111	L471 E472 A477 K478 I480 E482 H485	L471-L475 PolarHBondContact O-N 3.34Å; L471-L475 VanDerWaalsContact O-N 3.08Å; E472-L475 PolarHBondContact O-N 2.94Å; L475-A477 VanDerWaalsContact C-N 3.28Å; L475-A477 PolarHBondContact O-N 3.39Å; L475-K478 WeakPolarHBondContact O-CA 3.36Å; L475-K478 PolarHBondContact O-N 2.92Å; L475-I480 HydrophobicContact CB-CD1 4.32Å; L475-I480 HydrophobicContact CB-CG1 4.06Å; L475-I480 HydrophobicContact CD1-CG1 4.33Å; L475-E482 HydrophobicContact CD1-CG 3.99Å; L475-H485 HydrophobicContact CD1-CB 4.27Å; L475-H485 HydrophobicContact CD2-CB 4.19Å
476	S	93.2	Very high	90	Very high	104 Å²	104	56.4 Å²	56.4	73%	0.727	31%	0.308	S	S	*	.	H	α-helix	trans	-58.3	-40.5	176.6	-172	0	0	0	0	112.1	E472 S473 K478	E472-S476 WeakPolarHBondContact O-CB 3.36Å; E472-S476 PolarHBondContact O-N 2.94Å; S473-S476 PolarHBondContact O-N 3.02Å; S476-K478 PolarHBondContact O-N 2.87Å
477	A	91.6	Very high	89.9	Confident	53 Å²	53	58.5 Å²	58.5	44%	0.438	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	0.5	173.8	0	0	0	0	0	114.7	S473 L475 V479 I515	S473-A477 WeakPolarHBondContact O-CB 3.36Å; S473-A477 PolarHBondContact O-N 3.3Å; L475-A477 VanDerWaalsContact C-N 3.28Å; L475-A477 PolarHBondContact O-N 3.39Å; A477-V479 HydrophobicContact CB-CG2 4.21Å; A477-V479 PolarHBondContact O-N 2.88Å; A477-I515 HydrophobicContact CB-CD1 3.44Å; A477-I515 VanDerWaalsContact CB-CD1 3.44Å; A477-I515 HydrophobicContact CB-CG1 4.29Å
478	K	91.3	Very high	89.7	Confident	188 Å²	188	58.6 Å²	58.6	82%	0.817	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	28.2	-179	-54	-175.6	-179.6	-177.3	0	114.9	L474 L475 S476	L474-K478 PolarHBondContact O-N 3.03Å; L475-K478 WeakPolarHBondContact O-CA 3.36Å; L475-K478 PolarHBondContact O-N 2.92Å; S476-K478 PolarHBondContact O-N 2.87Å
479	V	89.3	Confident	89.6	Confident	31 Å²	31	59.8 Å²	59.8	19%	0.188	32%	0.323	C	S	.	.	S	Bend	trans	-84.4	-28.7	176.2	176.2	0	0	0	0	111.2	L474 A477 K508 A512 I515	L474-V479 HydrophobicContact CD2-CB 4.34Å; L474-V479 HydrophobicContact CD2-CG1 4.26Å; L474-V479 PolarHBondContact O-N 2.93Å; A477-V479 HydrophobicContact CB-CG2 4.21Å; A477-V479 PolarHBondContact O-N 2.88Å; V479-K508 HydrophobicContact CG1-CB 3.83Å; V479-K508 HydrophobicContact CG1-CG 4.23Å; V479-K508 VanDerWaalsContact O-CD 3.32Å; V479-K508 WeakPolarHBondContact O-CD 3.34Å; V479-K508 WeakPolarHBondContact O-CE 3.4Å; V479-K508 PolarHBondContact O-NZ 3.07Å; V479-K508 VanDerWaalsContact O-NZ 3.09Å; V479-A512 HydrophobicContact CG1-CB 3.84Å; V479-I515 HydrophobicContact CB-CD1 4.27Å; V479-I515 HydrophobicContact CG2-CD1 3.54Å
480	I	89.6	Confident	89.4	Confident	7 Å²	7	64.7 Å²	64.7	4%	0.036	34%	0.342	C	S	.	.	S	Bend	trans	-115.3	154.6	167.8	67.3	178.8	0	0	0	110.3	L471 L474 L475 E484 H485 T504 K508	L471-I480 HydrophobicContact CD1-CD1 3.58Å; L471-I480 HydrophobicContact CG-CD1 4.21Å; L474-I480 HydrophobicContact CB-CD1 3.89Å; L474-I480 HydrophobicContact CB-CG1 3.97Å; L474-I480 HydrophobicContact CB-CG2 4.27Å; L474-I480 PolarHBondContact O-N 2.8Å; L475-I480 HydrophobicContact CB-CD1 4.32Å; L475-I480 HydrophobicContact CB-CG1 4.06Å; L475-I480 HydrophobicContact CD1-CG1 4.33Å; I480-E484 HydrophobicContact CB-CB 4.13Å; I480-H485 HydrophobicContact CD1-CB 3.92Å; I480-T504 HydrophobicContact CG2-CG2 3.61Å; I480-K508 HydrophobicContact CG2-CG 4.45Å
481	S	90.5	Very high	88.9	Confident	52 Å²	52	67.5 Å²	67.5	36%	0.364	35%	0.354	S	S	.	.			trans	-83.1	163.1	170.5	59.4	0	0	0	0	111.9	L483 E484 H485	S481-L483 PolarHBondContact O-N 2.75Å; S481-E484 WeakPolarHBondContact CB-OE2 3.32Å; S481-E484 PolarHBondContact N-OE2 3.3Å; S481-E484 PolarHBondContact O-N 2.72Å; S481-E484 VanDerWaalsContact O-N 3.16Å; S481-E484 VanDerWaalsContact OG-CG 3.3Å; S481-E484 WeakPolarHBondContact OG-CG 3.05Å; S481-E484 PolarHBondContact OG-N 3.07Å; S481-E484 PolarHBondContact OG-OE2 3.17Å; S481-H485 PolarHBondContact O-N 2.92Å
482	E	87.9	Confident	88.2	Confident	150 Å²	150	73.8 Å²	73.8	70%	0.701	39%	0.393	S	S	*	.	H	α-helix	trans	-57.8	-36.6	174.5	-65.8	175	173.4	0	0	111.8	L475 H485 D486	L475-E482 HydrophobicContact CD1-CG 3.99Å; E482-H485 PolarHBondContact O-N 3.05Å; E482-D486 WeakPolarHBondContact O-CB 3.26Å; E482-D486 PolarHBondContact O-N 3.34Å
483	L	83	Confident	87.4	Confident	132 Å²	132	74 Å²	74	69%	0.691	39%	0.394	S	S	*	.	H	α-helix	trans	-64.7	-43.6	175.3	-178.1	63.9	0	0	0	112.4	S481 D486 V487	S481-L483 PolarHBondContact O-N 2.75Å; L483-D486 PolarHBondContact O-N 3.26Å; L483-V487 HydrophobicContact CD1-CG2 4.4Å; L483-V487 WeakPolarHBondContact O-CB 3.49Å; L483-V487 VanDerWaalsContact O-CG2 3.25Å; L483-V487 WeakPolarHBondContact O-CG2 3.34Å; L483-V487 PolarHBondContact O-N 3.01Å
484	E	84.6	Confident	86.8	Confident	63 Å²	63	75.3 Å²	75.3	29%	0.294	40%	0.4	S	S	.	.	H	α-helix	trans	-66.9	-41	176.7	-71.3	165.1	122	0	0	111.4	I480 S481 I488 K508	I480-E484 HydrophobicContact CB-CB 4.13Å; S481-E484 WeakPolarHBondContact CB-OE2 3.32Å; S481-E484 PolarHBondContact N-OE2 3.3Å; S481-E484 PolarHBondContact O-N 2.72Å; S481-E484 VanDerWaalsContact O-N 3.16Å; S481-E484 VanDerWaalsContact OG-CG 3.3Å; S481-E484 WeakPolarHBondContact OG-CG 3.05Å; S481-E484 PolarHBondContact OG-N 3.07Å; S481-E484 PolarHBondContact OG-OE2 3.17Å; E484-I488 WeakPolarHBondContact O-CD1 3.43Å; E484-I488 VanDerWaalsContact O-CG1 3.31Å; E484-I488 WeakPolarHBondContact O-CG1 3.46Å; E484-I488 PolarHBondContact O-N 3.28Å; E484-K508 WeakPolarHBondContact OE1-CE 3.26Å; E484-K508 IonicContact OE1-NZ 2.69Å; E484-K508 PolarHBondContact OE1-NZ 3.28Å; E484-K508 IonicContact OE2-NZ 3.87Å; E484-K508 PolarHBondContact OE2-NZ 3.21Å
485	H	91.9	Very high	86	Confident	16 Å²	16	77.6 Å²	77.6	7%	0.074	42%	0.415	C	S	.	.	H	α-helix	trans	-56.6	-51.4	172	164.8	-83.6	0	0	0	111.2	L475 I480 S481 E482 V487 I488 K489	L475-H485 HydrophobicContact CD1-CB 4.27Å; L475-H485 HydrophobicContact CD2-CB 4.19Å; I480-H485 HydrophobicContact CD1-CB 3.92Å; S481-H485 PolarHBondContact O-N 2.92Å; E482-H485 PolarHBondContact O-N 3.05Å; H485-V487 PolarHBondContact O-N 2.81Å; H485-I488 PolarHBondContact O-N 3.27Å; H485-K489 VanDerWaalsContact CE1-CD 3.48Å; H485-K489 WeakPolarHBondContact CE1-CD 3.37Å; H485-K489 VanDerWaalsContact O-CB 3.3Å; H485-K489 WeakPolarHBondContact O-CB 3.2Å; H485-K489 PolarHBondContact O-N 3.17Å
486	D	85.4	Confident	85.2	Confident	71 Å²	71	76.9 Å²	76.9	38%	0.38	41%	0.411	S	S	.	.	H	α-helix	trans	-69	-36.7	-176.3	-79.1	3.4	0	0	0	112.7	E482 L483 I488 K489 Q490	E482-D486 WeakPolarHBondContact O-CB 3.26Å; E482-D486 PolarHBondContact O-N 3.34Å; L483-D486 PolarHBondContact O-N 3.26Å; D486-I488 VanDerWaalsContact C-N 3.27Å; D486-I488 PolarHBondContact O-N 3.2Å; D486-K489 PolarHBondContact O-N 2.63Å; D486-Q490 VanDerWaalsContact O-CB 3.26Å; D486-Q490 WeakPolarHBondContact O-CB 3.48Å; D486-Q490 WeakPolarHBondContact O-CG 3.36Å; D486-Q490 PolarHBondContact O-N 3.47Å
487	V	85.4	Confident	84.8	Confident	61 Å²	61	73.2 Å²	73.2	37%	0.37	38%	0.383	S	S	.	.	H	α-helix	trans	-61.9	-33.7	174.6	166.4	0	0	0	0	112.5	L483 H485 K491	L483-V487 HydrophobicContact CD1-CG2 4.4Å; L483-V487 WeakPolarHBondContact O-CB 3.49Å; L483-V487 VanDerWaalsContact O-CG2 3.25Å; L483-V487 WeakPolarHBondContact O-CG2 3.34Å; L483-V487 PolarHBondContact O-N 3.01Å; H485-V487 PolarHBondContact O-N 2.81Å; V487-K491 WeakPolarHBondContact O-CD 3.38Å; V487-K491 WeakPolarHBondContact O-CE 3.28Å
488	I	84.3	Confident	84.5	Confident	4 Å²	4	70.7 Å²	70.7	2%	0.021	36%	0.362	C	S	.	.	H	α-helix	trans	-78.2	-44.8	174.9	-62.4	164	0	0	0	110.2	L471 E484 H485 D486 Q490 K491 E500 L501 T504	L471-I488 HydrophobicContact CD1-CB 3.9Å; L471-I488 HydrophobicContact CD1-CD1 3.55Å; L471-I488 HydrophobicContact CD1-CG1 4.32Å; L471-I488 HydrophobicContact CD1-CG2 3.87Å; L471-I488 HydrophobicContact CD2-CB 4.02Å; L471-I488 HydrophobicContact CD2-CG2 3.9Å; E484-I488 WeakPolarHBondContact O-CD1 3.43Å; E484-I488 VanDerWaalsContact O-CG1 3.31Å; E484-I488 WeakPolarHBondContact O-CG1 3.46Å; E484-I488 PolarHBondContact O-N 3.28Å; H485-I488 PolarHBondContact O-N 3.27Å; D486-I488 VanDerWaalsContact C-N 3.27Å; D486-I488 PolarHBondContact O-N 3.2Å; I488-Q490 VanDerWaalsContact C-N 3.28Å; I488-Q490 PolarHBondContact O-N 3.33Å; I488-K491 WeakPolarHBondContact O-CG 3.39Å; I488-K491 PolarHBondContact O-N 2.89Å; I488-E500 HydrophobicContact CG1-CB 3.89Å; I488-E500 HydrophobicContact CG2-CB 4.37Å; I488-L501 HydrophobicContact CG2-CB 4.38Å; I488-T504 HydrophobicContact CD1-CG2 4.44Å
489	K	88.7	Confident	84	Confident	92 Å²	92	63.7 Å²	63.7	40%	0.4	33%	0.33	S	S	.	.	H	α-helix	trans	-62.9	-31.5	-179.7	-171.5	167.6	-175.6	165.1	0	113.3	L468 L471 H485 D486 K491 Q497	L468-K489 HydrophobicContact CD2-CG 4.23Å; L471-K489 HydrophobicContact CD2-CB 4.16Å; H485-K489 VanDerWaalsContact CE1-CD 3.48Å; H485-K489 WeakPolarHBondContact CE1-CD 3.37Å; H485-K489 VanDerWaalsContact O-CB 3.3Å; H485-K489 WeakPolarHBondContact O-CB 3.2Å; H485-K489 PolarHBondContact O-N 3.17Å; D486-K489 PolarHBondContact O-N 2.63Å; K489-K491 VanDerWaalsContact C-N 3.32Å; K489-K491 PolarHBondContact O-N 3.4Å; K489-Q497 PolarHBondContact O-NE2 3Å
490	Q	86.8	Confident	83.7	Confident	143 Å²	143	64.2 Å²	64.2	67%	0.668	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-8.4	179.1	-74.1	171.2	24.1	0	0	114.7	D486 I488	D486-Q490 VanDerWaalsContact O-CB 3.26Å; D486-Q490 WeakPolarHBondContact O-CB 3.48Å; D486-Q490 WeakPolarHBondContact O-CG 3.36Å; D486-Q490 PolarHBondContact O-N 3.47Å; I488-Q490 VanDerWaalsContact C-N 3.28Å; I488-Q490 PolarHBondContact O-N 3.33Å
491	K	81	Confident	83.7	Confident	59 Å²	59	63.9 Å²	63.9	26%	0.257	33%	0.329	S	S	.	.			trans	-69.2	137.4	174.6	-45.9	-55.1	-169.2	-176.1	0	109.9	V487 I488 K489 Q493 L496 Q497 E500	V487-K491 WeakPolarHBondContact O-CD 3.38Å; V487-K491 WeakPolarHBondContact O-CE 3.28Å; I488-K491 WeakPolarHBondContact O-CG 3.39Å; I488-K491 PolarHBondContact O-N 2.89Å; K489-K491 VanDerWaalsContact C-N 3.32Å; K489-K491 PolarHBondContact O-N 3.4Å; K491-Q493 PolarHBondContact O-N 3.4Å; K491-L496 HydrophobicContact CB-CB 3.98Å; K491-L496 HydrophobicContact CG-CB 4.44Å; K491-Q497 HydrophobicContact CB-CG 3.82Å; K491-Q497 WeakPolarHBondContact O-CG 3.49Å; K491-Q497 PolarHBondContact O-NE2 2.82Å; K491-E500 WeakPolarHBondContact CE-OE2 3.25Å; K491-E500 HydrophobicContact CG-CG 4.34Å; K491-E500 IonicContact NZ-OE2 3.02Å; K491-E500 PolarHBondContact NZ-OE2 3.17Å
492	T	77.5	Confident	83.5	Confident	133 Å²	133	61.4 Å²	61.4	82%	0.816	31%	0.312	S	S	*	.	S	Bend	trans	-80.5	-10	-170.1	49.4	0	0	0	0	115.4
493	Q	76.6	Confident	83.2	Confident	106 Å²	106	56 Å²	56	50%	0.495	29%	0.288	S	S	.	.	S	Bend	trans	-130.7	137	-178	-55.9	-179.2	-1.9	0	0	110.7	K491 L496 Q497	K491-Q493 PolarHBondContact O-N 3.4Å; Q493-L496 HydrophobicContact CB-CB 4.47Å; Q493-L496 HydrophobicContact CB-CD1 4.1Å; Q493-L496 HydrophobicContact CB-CG 4.3Å; Q493-L496 HydrophobicContact CG-CD1 4.23Å; Q493-L496 WeakPolarHBondContact O-CB 3.4Å; Q493-L496 PolarHBondContact O-N 2.85Å; Q493-Q497 WeakPolarHBondContact O-CG 3.39Å; Q493-Q497 PolarHBondContact O-N 3.21Å
494	T	78.6	Confident	83.2	Confident	69 Å²	69	51 Å²	51	42%	0.423	26%	0.263	S	S	.	.	H	α-helix	trans	-55.6	-40.6	-179.1	-41.1	0	0	0	0	113.9	V467 L496 Q497 A498	V467-T494 HydrophobicContact CG2-CG2 3.9Å; T494-L496 VanDerWaalsContact C-N 3.31Å; T494-L496 PolarHBondContact O-N 3.15Å; T494-Q497 PolarHBondContact O-N 2.92Å; T494-A498 VanDerWaalsContact O-CB 3.32Å; T494-A498 WeakPolarHBondContact O-CB 3.37Å; T494-A498 PolarHBondContact O-N 3.06Å
495	P	76.2	Confident	83.2	Confident	49 Å²	49	48 Å²	48	32%	0.318	25%	0.249	S	C	.	.	H	α-helix	trans	-63.2	-32.9	175	-25	36.4	0	0	0	113.9	R499	P495-R499 WeakPolarHBondContact O-CB 3.32Å; P495-R499 PolarHBondContact O-N 3.43Å
496	L	75.5	Confident	82.7	Confident	31 Å²	31	48.7 Å²	48.7	16%	0.162	25%	0.253	C	S	.	.	H	α-helix	trans	-71.2	-41	173.7	-68.2	171.8	0	0	0	111.2	K491 Q493 T494 A498 R499 E500 M567	K491-L496 HydrophobicContact CB-CB 3.98Å; K491-L496 HydrophobicContact CG-CB 4.44Å; Q493-L496 HydrophobicContact CB-CB 4.47Å; Q493-L496 HydrophobicContact CB-CD1 4.1Å; Q493-L496 HydrophobicContact CB-CG 4.3Å; Q493-L496 HydrophobicContact CG-CD1 4.23Å; Q493-L496 WeakPolarHBondContact O-CB 3.4Å; Q493-L496 PolarHBondContact O-N 2.85Å; T494-L496 VanDerWaalsContact C-N 3.31Å; T494-L496 PolarHBondContact O-N 3.15Å; L496-A498 VanDerWaalsContact C-N 3.35Å; L496-R499 PolarHBondContact O-N 2.62Å; L496-E500 WeakPolarHBondContact O-CG 3.18Å; L496-E500 PolarHBondContact O-N 3.38Å; L496-M567 HydrophobicContact CD2-CB 3.8Å
497	Q	84.3	Confident	82.3	Confident	27 Å²	27	51.3 Å²	51.3	13%	0.126	27%	0.271	C	S	.	.	H	α-helix	trans	-62.3	-43.4	172.8	-58.3	177.8	-22.9	0	0	110.9	V467 K489 K491 Q493 T494 E500 L501	V467-Q497 HydrophobicContact CB-CB 4.45Å; V467-Q497 HydrophobicContact CG1-CB 3.78Å; K489-Q497 PolarHBondContact O-NE2 3Å; K491-Q497 HydrophobicContact CB-CG 3.82Å; K491-Q497 WeakPolarHBondContact O-CG 3.49Å; K491-Q497 PolarHBondContact O-NE2 2.82Å; Q493-Q497 WeakPolarHBondContact O-CG 3.39Å; Q493-Q497 PolarHBondContact O-N 3.21Å; T494-Q497 PolarHBondContact O-N 2.92Å; Q497-E500 PolarHBondContact O-N 3.34Å; Q497-L501 VanDerWaalsContact O-CB 3.29Å; Q497-L501 WeakPolarHBondContact O-CB 3.21Å; Q497-L501 PolarHBondContact O-N 3.46Å
498	A	85.6	Confident	82.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-43	178.2	0	0	0	0	0	112	L464 V467 T494 L496 I502	L464-A498 HydrophobicContact CB-CB 4.27Å; L464-A498 HydrophobicContact CD2-CB 4.31Å; V467-A498 HydrophobicContact CG2-CB 3.74Å; T494-A498 VanDerWaalsContact O-CB 3.32Å; T494-A498 WeakPolarHBondContact O-CB 3.37Å; T494-A498 PolarHBondContact O-N 3.06Å; L496-A498 VanDerWaalsContact C-N 3.35Å; A498-I502 WeakPolarHBondContact O-CB 3.03Å; A498-I502 VanDerWaalsContact O-CG1 3.28Å; A498-I502 WeakPolarHBondContact O-CG1 3.17Å; A498-I502 PolarHBondContact O-N 3.42Å
499	R	81.7	Confident	81.9	Confident	41 Å²	41	52.2 Å²	52.2	16%	0.155	27%	0.274	C	S	.	.	H	α-helix	trans	-56.8	-56.1	174.8	-172.6	-171.9	73.3	-150.1	-5.7	111.3	F461 P495 L496 L501 I502 D503 V565 C566	F461-R499 HydrophobicContact CD1-CB 4.17Å; F461-R499 HydrophobicContact CD1-CG 4.16Å; F461-R499 HydrophobicContact CD2-CG 4.26Å; F461-R499 HydrophobicContact CE1-CB 4.16Å; F461-R499 HydrophobicContact CE1-CG 3.7Å; F461-R499 HydrophobicContact CE2-CG 3.8Å; F461-R499 HydrophobicContact CG-CB 4.43Å; F461-R499 HydrophobicContact CG-CG 4.42Å; F461-R499 HydrophobicContact CZ-CB 4.39Å; F461-R499 HydrophobicContact CZ-CG 3.5Å; F461-R499 VanDerWaalsContact CZ-CG 3.5Å; P495-R499 WeakPolarHBondContact O-CB 3.32Å; P495-R499 PolarHBondContact O-N 3.43Å; L496-R499 PolarHBondContact O-N 2.62Å; R499-L501 VanDerWaalsContact C-N 3.29Å; R499-L501 PolarHBondContact O-N 2.99Å; R499-I502 PolarHBondContact O-N 3.23Å; R499-D503 WeakPolarHBondContact O-CB 3.43Å; R499-D503 VanDerWaalsContact O-CG 3.31Å; R499-D503 PolarHBondContact O-N 3.03Å; R499-V565 VanDerWaalsContact CD-O 3.25Å; R499-V565 WeakPolarHBondContact CD-O 3.34Å; R499-V565 PolarHBondContact NH1-O 3.5Å; R499-C566 PolarHBondContact NH1-O 3.1Å
500	E	82.8	Confident	81.5	Confident	43 Å²	43	51.3 Å²	51.3	20%	0.201	27%	0.274	C	S	.	.	H	α-helix	trans	-68.4	-32.7	-172.9	-51.5	-89.8	107.4	0	0	110.8	I488 K491 L496 Q497 T504	I488-E500 HydrophobicContact CG1-CB 3.89Å; I488-E500 HydrophobicContact CG2-CB 4.37Å; K491-E500 WeakPolarHBondContact CE-OE2 3.25Å; K491-E500 HydrophobicContact CG-CG 4.34Å; K491-E500 IonicContact NZ-OE2 3.02Å; K491-E500 PolarHBondContact NZ-OE2 3.17Å; L496-E500 WeakPolarHBondContact O-CG 3.18Å; L496-E500 PolarHBondContact O-N 3.38Å; Q497-E500 PolarHBondContact O-N 3.34Å; E500-T504 WeakPolarHBondContact O-CB 3.35Å; E500-T504 PolarHBondContact O-N 3.23Å; E500-T504 PolarHBondContact O-OG1 2.96Å
501	L	89.1	Confident	81.5	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-54.1	169.5	174.5	65.8	0	0	0	111.9	L464 V467 I470 L471 L474 I488 Q497 R499 D503 T504 V505	L464-L501 HydrophobicContact CD2-CD2 3.9Å; V467-L501 HydrophobicContact CB-CD2 4.3Å; V467-L501 HydrophobicContact CG1-CB 3.98Å; V467-L501 HydrophobicContact CG1-CD2 3.6Å; V467-L501 HydrophobicContact CG1-CG 4.39Å; I470-L501 HydrophobicContact CB-CD2 3.9Å; I470-L501 HydrophobicContact CD1-CD2 4.35Å; I470-L501 HydrophobicContact CG2-CD1 4.2Å; I470-L501 HydrophobicContact CG2-CD2 3.96Å; L471-L501 HydrophobicContact CB-CD1 4.37Å; L471-L501 HydrophobicContact CD1-CD1 3.98Å; L474-L501 HydrophobicContact CD1-CD1 3.48Å; L474-L501 VanDerWaalsContact CD1-CD1 3.48Å; I488-L501 HydrophobicContact CG2-CB 4.38Å; Q497-L501 VanDerWaalsContact O-CB 3.29Å; Q497-L501 WeakPolarHBondContact O-CB 3.21Å; Q497-L501 PolarHBondContact O-N 3.46Å; R499-L501 VanDerWaalsContact C-N 3.29Å; R499-L501 PolarHBondContact O-N 2.99Å; L501-D503 VanDerWaalsContact C-N 3.32Å; L501-D503 PolarHBondContact O-N 2.84Å; L501-T504 PolarHBondContact O-N 3.47Å; L501-V505 HydrophobicContact CD1-CG2 4.3Å; L501-V505 WeakPolarHBondContact O-CG2 3.28Å; L501-V505 PolarHBondContact O-N 3.04Å
502	I	87.1	Confident	81.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-42.1	-178.8	-71.9	-71.4	0	0	0	110.6	I453 R457 L460 F461 L464 A498 R499 V505 L506 F516	I453-I502 HydrophobicContact CG2-CD1 4.13Å; I453-I502 HydrophobicContact CG2-CG2 4.25Å; R457-I502 HydrophobicContact CG-CG2 3.91Å; L460-I502 HydrophobicContact CB-CD1 3.98Å; L460-I502 HydrophobicContact CB-CG1 4.23Å; L460-I502 HydrophobicContact CD1-CD1 4.01Å; F461-I502 HydrophobicContact CD1-CB 4.2Å; F461-I502 HydrophobicContact CD1-CG1 4.49Å; F461-I502 HydrophobicContact CD1-CG2 4.22Å; F461-I502 HydrophobicContact CE1-CB 3.91Å; F461-I502 HydrophobicContact CE1-CG2 3.71Å; L464-I502 HydrophobicContact CD2-CD1 4.09Å; L464-I502 HydrophobicContact CD2-CG1 4.06Å; A498-I502 WeakPolarHBondContact O-CB 3.03Å; A498-I502 VanDerWaalsContact O-CG1 3.28Å; A498-I502 WeakPolarHBondContact O-CG1 3.17Å; A498-I502 PolarHBondContact O-N 3.42Å; R499-I502 PolarHBondContact O-N 3.23Å; I502-V505 WeakPolarHBondContact O-CB 3.38Å; I502-V505 PolarHBondContact O-N 3.21Å; I502-L506 HydrophobicContact CG2-CD1 4.04Å; I502-L506 VanDerWaalsContact O-CG 3.3Å; I502-L506 WeakPolarHBondContact O-CG 3.41Å; I502-L506 PolarHBondContact O-N 3.49Å; I502-F516 HydrophobicContact CD1-CD2 4.18Å; I502-F516 HydrophobicContact CD1-CE1 4.49Å; I502-F516 HydrophobicContact CD1-CE2 3.36Å; I502-F516 HydrophobicContact CD1-CZ 3.56Å
503	D	81.4	Confident	82.3	Confident	37 Å²	37	38.1 Å²	38.1	20%	0.198	21%	0.214	C	C	.	.	H	α-helix	trans	-66.5	-38.2	178.1	-73.1	1.4	0	0	0	111.6	R457 F461 R499 L501 L506 V507	R457-D503 IonicContact CZ-OD1 2.68Å; R457-D503 IonicContact CZ-OD2 3.38Å; R457-D503 IonicContact NE-OD1 2.87Å; R457-D503 PolarHBondContact NE-OD1 2.83Å; R457-D503 IonicContact NH2-OD1 2.94Å; R457-D503 PolarHBondContact NH2-OD1 3.23Å; R457-D503 IonicContact NH2-OD2 3.11Å; R457-D503 PolarHBondContact NH2-OD2 3.15Å; F461-D503 WeakPolarHBondContact CZ-OD1 3.36Å; R499-D503 WeakPolarHBondContact O-CB 3.43Å; R499-D503 VanDerWaalsContact O-CG 3.31Å; R499-D503 PolarHBondContact O-N 3.03Å; L501-D503 VanDerWaalsContact C-N 3.32Å; L501-D503 PolarHBondContact O-N 2.84Å; D503-L506 PolarHBondContact O-N 2.9Å; D503-V507 WeakPolarHBondContact O-CG2 3.14Å; D503-V507 PolarHBondContact O-N 3.11Å
504	T	81.9	Confident	82.9	Confident	26 Å²	26	35.2 Å²	35.2	16%	0.16	21%	0.205	C	C	.	.	H	α-helix	trans	-65.3	-41.5	171.9	-60.5	0	0	0	0	111.4	I480 I488 E500 L501 L506 V507 K508	I480-T504 HydrophobicContact CG2-CG2 3.61Å; I488-T504 HydrophobicContact CD1-CG2 4.44Å; E500-T504 WeakPolarHBondContact O-CB 3.35Å; E500-T504 PolarHBondContact O-N 3.23Å; E500-T504 PolarHBondContact O-OG1 2.96Å; L501-T504 PolarHBondContact O-N 3.47Å; T504-L506 VanDerWaalsContact C-N 3.3Å; T504-L506 PolarHBondContact O-N 3.37Å; T504-V507 PolarHBondContact O-N 3.14Å; T504-K508 HydrophobicContact CG2-CG 3.92Å; T504-K508 VanDerWaalsContact O-CB 3.3Å; T504-K508 WeakPolarHBondContact O-CB 3.39Å; T504-K508 WeakPolarHBondContact O-CG 3.5Å; T504-K508 PolarHBondContact O-N 2.93Å
505	V	85.5	Confident	83.5	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.1	-41.1	173.8	166.8	0	0	0	0	111.1	I453 L474 L501 I502 G509 A512 A513 F516	I453-V505 HydrophobicContact CD1-CG1 4.07Å; I453-V505 HydrophobicContact CG2-CG1 4.42Å; L474-V505 HydrophobicContact CD1-CG2 3.78Å; L501-V505 HydrophobicContact CD1-CG2 4.3Å; L501-V505 WeakPolarHBondContact O-CG2 3.28Å; L501-V505 PolarHBondContact O-N 3.04Å; I502-V505 WeakPolarHBondContact O-CB 3.38Å; I502-V505 PolarHBondContact O-N 3.21Å; V505-G509 PolarHBondContact O-N 2.66Å; V505-A512 HydrophobicContact CB-CB 4.23Å; V505-A512 HydrophobicContact CG1-CB 4.09Å; V505-A512 HydrophobicContact CG2-CB 4.22Å; V505-A513 HydrophobicContact CG1-CB 4.48Å; V505-F516 HydrophobicContact CG1-CB 4.14Å; V505-F516 HydrophobicContact CG1-CG 4.46Å; V505-F516 HydrophobicContact CG2-CB 4.32Å; V505-F516 HydrophobicContact CG2-CD2 4.24Å
506	L	80.9	Confident	84.3	Confident	31 Å²	31	31.1 Å²	31.1	16%	0.162	18%	0.178	C	C	.	.	H	α-helix	trans	-67.4	-38.3	177.3	-71.4	170.1	0	0	0	112.9	L450 I453 R454 R457 I502 D503 T504	L450-L506 HydrophobicContact CD1-CD2 3.94Å; I453-L506 HydrophobicContact CB-CD2 4.47Å; I453-L506 HydrophobicContact CG2-CD2 4.05Å; I453-L506 HydrophobicContact CG2-CG 4.28Å; R454-L506 HydrophobicContact CB-CD2 3.7Å; R454-L506 HydrophobicContact CG-CD2 4.25Å; R457-L506 HydrophobicContact CG-CD1 4.03Å; I502-L506 HydrophobicContact CG2-CD1 4.04Å; I502-L506 VanDerWaalsContact O-CG 3.3Å; I502-L506 WeakPolarHBondContact O-CG 3.41Å; I502-L506 PolarHBondContact O-N 3.49Å; D503-L506 PolarHBondContact O-N 2.9Å; T504-L506 VanDerWaalsContact C-N 3.3Å; T504-L506 PolarHBondContact O-N 3.37Å
507	V	77.6	Confident	85	Confident	126 Å²	126	32 Å²	32	76%	0.764	18%	0.179	S	C	*	.	H	α-helix	trans	-73.4	-38.9	177.3	169.1	0	0	0	0	112.3	D503 T504 G509	D503-V507 WeakPolarHBondContact O-CG2 3.14Å; D503-V507 PolarHBondContact O-N 3.11Å; T504-V507 PolarHBondContact O-N 3.14Å; V507-G509 VanDerWaalsContact C-N 3.29Å
508	K	81.2	Confident	85.4	Confident	69 Å²	69	33.4 Å²	33.4	30%	0.3	19%	0.187	S	C	.	.	H	α-helix	trans	-79.2	-10.8	178.3	-60.3	-71.9	-175.7	151.6	0	113	V479 I480 E484 T504 A512	V479-K508 HydrophobicContact CG1-CB 3.83Å; V479-K508 HydrophobicContact CG1-CG 4.23Å; V479-K508 VanDerWaalsContact O-CD 3.32Å; V479-K508 WeakPolarHBondContact O-CD 3.34Å; V479-K508 WeakPolarHBondContact O-CE 3.4Å; V479-K508 PolarHBondContact O-NZ 3.07Å; V479-K508 VanDerWaalsContact O-NZ 3.09Å; I480-K508 HydrophobicContact CG2-CG 4.45Å; E484-K508 WeakPolarHBondContact OE1-CE 3.26Å; E484-K508 IonicContact OE1-NZ 2.69Å; E484-K508 PolarHBondContact OE1-NZ 3.28Å; E484-K508 IonicContact OE2-NZ 3.87Å; E484-K508 PolarHBondContact OE2-NZ 3.21Å; T504-K508 HydrophobicContact CG2-CG 3.92Å; T504-K508 VanDerWaalsContact O-CB 3.3Å; T504-K508 WeakPolarHBondContact O-CB 3.39Å; T504-K508 WeakPolarHBondContact O-CG 3.5Å; T504-K508 PolarHBondContact O-N 2.93Å; K508-A512 HydrophobicContact CB-CB 3.7Å
509	G	79.8	Confident	85.6	Confident	15 Å²	15	34.3 Å²	34.3	16%	0.155	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	-153.3	165.7	0	0	0	0	0	115.7	V505 V507 A511 A512 A513	V505-G509 PolarHBondContact O-N 2.66Å; V507-G509 VanDerWaalsContact C-N 3.29Å; G509-A511 PolarHBondContact O-N 2.78Å; G509-A511 VanDerWaalsContact O-N 3.07Å; G509-A512 PolarHBondContact O-N 2.65Å; G509-A513 PolarHBondContact O-N 3.05Å
510	N	81.4	Confident	86.1	Confident	72 Å²	72	32.3 Å²	32.3	39%	0.385	19%	0.186	S	C	.	.	H	α-helix	trans	-53.5	-35.5	-166.3	-67.3	-15.8	0	0	0	113.9	V445 S447 L450 A513 S514	V445-N510 PolarHBondContact O-ND2 3.39Å; S447-N510 PolarHBondContact N-OD1 3.38Å; L450-N510 WeakPolarHBondContact CD2-OD1 3.34Å; N510-A513 PolarHBondContact O-N 3.39Å; N510-S514 WeakPolarHBondContact O-CB 3.34Å; N510-S514 PolarHBondContact O-N 2.91Å
511	A	85	Confident	86.4	Confident	58 Å²	58	34.6 Å²	34.6	48%	0.479	19%	0.193	S	C	.	.	H	α-helix	trans	-65.6	-44.3	176.9	0	0	0	0	0	112.4	G509 S514 I515	G509-A511 PolarHBondContact O-N 2.78Å; G509-A511 VanDerWaalsContact O-N 3.07Å; A511-S514 WeakPolarHBondContact O-CB 3.48Å; A511-S514 PolarHBondContact O-N 3.23Å; A511-I515 WeakPolarHBondContact O-CD1 3.07Å; A511-I515 WeakPolarHBondContact O-CG1 3.28Å; A511-I515 PolarHBondContact O-N 3.01Å
512	A	87.9	Confident	86.3	Confident	1 Å²	1	39 Å²	39	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-68.1	-39.2	176.6	0	0	0	0	0	111.8	L474 V479 V505 K508 G509 S514 I515 F516	L474-A512 HydrophobicContact CD2-CB 3.87Å; V479-A512 HydrophobicContact CG1-CB 3.84Å; V505-A512 HydrophobicContact CB-CB 4.23Å; V505-A512 HydrophobicContact CG1-CB 4.09Å; V505-A512 HydrophobicContact CG2-CB 4.22Å; K508-A512 HydrophobicContact CB-CB 3.7Å; G509-A512 PolarHBondContact O-N 2.65Å; A512-S514 VanDerWaalsContact C-N 3.3Å; A512-S514 PolarHBondContact O-N 2.91Å; A512-I515 PolarHBondContact O-N 3.27Å; A512-F516 VanDerWaalsContact O-CB 3.31Å; A512-F516 WeakPolarHBondContact O-CB 3.32Å; A512-F516 PolarHBondContact O-N 3.42Å
513	A	87.6	Confident	86.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-35.6	175.1	0	0	0	0	0	112.7	D449 L450 I453 V505 G509 N510 R517	D449-A513 HydrophobicContact CB-CB 4.41Å; L450-A513 HydrophobicContact CB-CB 3.92Å; L450-A513 HydrophobicContact CD1-CB 3.96Å; I453-A513 HydrophobicContact CD1-CB 3.73Å; V505-A513 HydrophobicContact CG1-CB 4.48Å; G509-A513 PolarHBondContact O-N 3.05Å; N510-A513 PolarHBondContact O-N 3.39Å; A513-R517 WeakPolarHBondContact O-CB 2.98Å; A513-R517 PolarHBondContact O-N 2.9Å; A513-R517 VanDerWaalsContact O-N 3.08Å; A513-R517 PolarHBondContact O-NH1 2.75Å; A513-R517 VanDerWaalsContact O-NH1 3.1Å
514	S	89.1	Confident	86.7	Confident	45 Å²	45	46.6 Å²	46.6	32%	0.315	24%	0.244	S	C	.	.	H	α-helix	trans	-62.2	-48.2	172.3	-169.9	0	0	0	0	112.3	N510 A511 A512 N518	N510-S514 WeakPolarHBondContact O-CB 3.34Å; N510-S514 PolarHBondContact O-N 2.91Å; A511-S514 WeakPolarHBondContact O-CB 3.48Å; A511-S514 PolarHBondContact O-N 3.23Å; A512-S514 VanDerWaalsContact C-N 3.3Å; A512-S514 PolarHBondContact O-N 2.91Å; S514-N518 PolarHBondContact O-N 3.15Å; S514-N518 PolarHBondContact O-ND2 2.86Å
515	I	91.4	Very high	86.9	Confident	31 Å²	31	49.3 Å²	49.3	16%	0.159	26%	0.262	C	S	.	.	H	α-helix	trans	-64.7	-50.6	177.8	-64.8	155.9	0	0	0	110.2	L474 A477 V479 A511 A512 R517 N518 C519	L474-I515 HydrophobicContact CD2-CB 3.88Å; L474-I515 HydrophobicContact CD2-CD1 3.92Å; L474-I515 HydrophobicContact CD2-CG2 3.83Å; L474-I515 HydrophobicContact CG-CG2 4.12Å; A477-I515 HydrophobicContact CB-CD1 3.44Å; A477-I515 VanDerWaalsContact CB-CD1 3.44Å; A477-I515 HydrophobicContact CB-CG1 4.29Å; V479-I515 HydrophobicContact CB-CD1 4.27Å; V479-I515 HydrophobicContact CG2-CD1 3.54Å; A511-I515 WeakPolarHBondContact O-CD1 3.07Å; A511-I515 WeakPolarHBondContact O-CG1 3.28Å; A511-I515 PolarHBondContact O-N 3.01Å; A512-I515 PolarHBondContact O-N 3.27Å; I515-R517 VanDerWaalsContact C-N 3.3Å; I515-R517 PolarHBondContact O-N 2.94Å; I515-N518 PolarHBondContact O-N 3.4Å; I515-N518 VanDerWaalsContact O-N 3.12Å; I515-C519 WeakPolarHBondContact O-CB 3.4Å; I515-C519 PolarHBondContact O-N 3.03Å; I515-C519 PolarHBondContact O-SG 2.99Å
516	F	92.9	Very high	86.8	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-48.9	-50	177.6	178	-86.9	0	0	0	112	I453 L464 I470 I502 V505 A512 C519 L520 L531 F532	I453-F516 HydrophobicContact CD1-CB 4.26Å; I453-F516 HydrophobicContact CD1-CD1 3.5Å; I453-F516 VanDerWaalsContact CD1-CD1 3.5Å; I453-F516 HydrophobicContact CD1-CE1 4.12Å; I453-F516 HydrophobicContact CD1-CG 4.02Å; I453-F516 HydrophobicContact CG1-CD1 3.94Å; I453-F516 HydrophobicContact CG1-CE1 4.05Å; L464-F516 HydrophobicContact CD1-CE2 4.15Å; L464-F516 HydrophobicContact CD1-CZ 4.08Å; L464-F516 HydrophobicContact CD2-CE2 3.85Å; L464-F516 HydrophobicContact CD2-CZ 4.35Å; I470-F516 HydrophobicContact CD1-CD2 4.11Å; I470-F516 HydrophobicContact CD1-CE2 3.92Å; I470-F516 HydrophobicContact CG2-CB 4.49Å; I470-F516 HydrophobicContact CG2-CD2 3.9Å; I502-F516 HydrophobicContact CD1-CD2 4.18Å; I502-F516 HydrophobicContact CD1-CE1 4.49Å; I502-F516 HydrophobicContact CD1-CE2 3.36Å; I502-F516 HydrophobicContact CD1-CZ 3.56Å; V505-F516 HydrophobicContact CG1-CB 4.14Å; V505-F516 HydrophobicContact CG1-CG 4.46Å; V505-F516 HydrophobicContact CG2-CB 4.32Å; V505-F516 HydrophobicContact CG2-CD2 4.24Å; A512-F516 VanDerWaalsContact O-CB 3.31Å; A512-F516 WeakPolarHBondContact O-CB 3.32Å; A512-F516 PolarHBondContact O-N 3.42Å; F516-C519 PolarHBondContact O-N 3.44Å; F516-L520 HydrophobicContact CE1-CD2 3.94Å; F516-L520 HydrophobicContact CZ-CD2 4.36Å; F516-L520 VanDerWaalsContact O-CB 3.26Å; F516-L520 WeakPolarHBondContact O-CB 3.49Å; F516-L520 PolarHBondContact O-N 2.83Å; F516-L531 HydrophobicContact CE1-CD2 3.96Å; F516-F532 HydrophobicContact CD1-CE2 4.37Å; F516-F532 HydrophobicContact CD1-CZ 4.14Å; F516-F532 HydrophobicContact CE1-CE2 4.33Å; F516-F532 HydrophobicContact CE1-CZ 4.3Å
517	R	91.8	Very high	86.9	Confident	49 Å²	49	53.7 Å²	53.7	19%	0.185	29%	0.285	C	S	.	.	H	α-helix	trans	-62.2	-45.2	179.5	177.5	171.5	69.3	-98.9	28.8	113.4	D449 A513 I515 L520 R521 Y528 F532	D449-R517 IonicContact OD1-CZ 3.71Å; D449-R517 IonicContact OD1-NE 3.46Å; D449-R517 PolarHBondContact OD1-NE 3Å; D449-R517 IonicContact OD1-NH1 2.83Å; D449-R517 PolarHBondContact OD1-NH1 3.48Å; D449-R517 IonicContact OD1-NH2 3.26Å; D449-R517 PolarHBondContact OD1-NH2 2.95Å; D449-R517 IonicContact OD2-CZ 3.71Å; D449-R517 IonicContact OD2-NH1 2.83Å; D449-R517 PolarHBondContact OD2-NH1 3.39Å; D449-R517 IonicContact OD2-NH2 2.6Å; D449-R517 PolarHBondContact OD2-NH2 3.41Å; A513-R517 WeakPolarHBondContact O-CB 2.98Å; A513-R517 PolarHBondContact O-N 2.9Å; A513-R517 VanDerWaalsContact O-N 3.08Å; A513-R517 PolarHBondContact O-NH1 2.75Å; A513-R517 VanDerWaalsContact O-NH1 3.1Å; I515-R517 VanDerWaalsContact C-N 3.3Å; I515-R517 PolarHBondContact O-N 2.94Å; R517-L520 PolarHBondContact O-N 3.16Å; R517-R521 PolarHBondContact O-N 3.22Å; R517-Y528 HydrophobicContact CG-CD2 4.32Å; R517-Y528 HydrophobicContact CG-CE2 3.78Å; R517-F532 HydrophobicContact CB-CD2 4.37Å; R517-F532 HydrophobicContact CB-CE1 4.24Å; R517-F532 HydrophobicContact CB-CE2 3.72Å; R517-F532 HydrophobicContact CB-CZ 3.66Å; R517-F532 HydrophobicContact CG-CD1 4.21Å; R517-F532 HydrophobicContact CG-CD2 3.77Å; R517-F532 HydrophobicContact CG-CE1 4.15Å; R517-F532 HydrophobicContact CG-CE2 3.65Å; R517-F532 HydrophobicContact CG-CG 4.04Å; R517-F532 HydrophobicContact CG-CZ 3.86Å
518	N	91.1	Very high	87.4	Confident	58 Å²	58	50.4 Å²	50.4	31%	0.31	26%	0.259	S	S	.	.	H	α-helix	trans	-65.2	-46.6	179.4	-77.2	-65.4	0	0	0	110.7	S514 I515 L520 R521 D522	S514-N518 PolarHBondContact O-N 3.15Å; S514-N518 PolarHBondContact O-ND2 2.86Å; I515-N518 PolarHBondContact O-N 3.4Å; I515-N518 VanDerWaalsContact O-N 3.12Å; N518-L520 VanDerWaalsContact C-N 3.32Å; N518-L520 PolarHBondContact O-N 2.9Å; N518-R521 WeakPolarHBondContact O-CB 3.28Å; N518-R521 PolarHBondContact O-N 3.3Å; N518-R521 PolarHBondContact OD1-NH1 3.21Å; N518-R521 PolarHBondContact OD1-NH2 3.44Å; N518-R521 VanDerWaalsContact OD1-NH2 3.14Å; N518-D522 PolarHBondContact O-N 3.25Å
519	C	90.8	Very high	87.5	Confident	18 Å²	18	51.8 Å²	51.8	12%	0.122	27%	0.265	C	S	.	.	H	α-helix	trans	-61.8	-39.5	175.5	-60.3	0	0	0	0	112.1	I470 S473 I515 F516 D522 R523	I470-C519 HydrophobicContact CB-CB 4.4Å; I470-C519 HydrophobicContact CG1-CB 3.77Å; I470-C519 HydrophobicContact CG2-CB 4.47Å; S473-C519 WeakPolarHBondContact CB-SG 3.39Å; S473-C519 PolarHBondContact OG-SG 2.91Å; I515-C519 WeakPolarHBondContact O-CB 3.4Å; I515-C519 PolarHBondContact O-N 3.03Å; I515-C519 PolarHBondContact O-SG 2.99Å; F516-C519 PolarHBondContact O-N 3.44Å; C519-D522 PolarHBondContact O-N 3.46Å; C519-R523 VanDerWaalsContact O-CB 3.22Å; C519-R523 WeakPolarHBondContact O-CB 3.34Å; C519-R523 WeakPolarHBondContact O-CG 3.44Å; C519-R523 PolarHBondContact O-N 2.62Å
520	L	90.9	Very high	87.6	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.8	-45.7	178	-167.6	71.2	0	0	0	111.3	L464 F516 R517 N518 D522 R523 D524 L527 L531 F532	L464-L520 HydrophobicContact CD1-CD1 3.78Å; F516-L520 HydrophobicContact CE1-CD2 3.94Å; F516-L520 HydrophobicContact CZ-CD2 4.36Å; F516-L520 VanDerWaalsContact O-CB 3.26Å; F516-L520 WeakPolarHBondContact O-CB 3.49Å; F516-L520 PolarHBondContact O-N 2.83Å; R517-L520 PolarHBondContact O-N 3.16Å; N518-L520 VanDerWaalsContact C-N 3.32Å; N518-L520 PolarHBondContact O-N 2.9Å; L520-D522 PolarHBondContact O-N 3.19Å; L520-D522 VanDerWaalsContact O-N 3.16Å; L520-R523 PolarHBondContact O-N 2.95Å; L520-D524 HydrophobicContact CD1-CB 4Å; L520-D524 CarbonylContact O-C 3.54Å; L520-D524 WeakPolarHBondContact O-CA 3.26Å; L520-D524 PolarHBondContact O-N 3.49Å; L520-D524 VanDerWaalsContact O-O 3.07Å; L520-L527 HydrophobicContact CD1-CB 4.35Å; L520-L527 HydrophobicContact CD1-CD2 4.19Å; L520-L527 HydrophobicContact CD1-CG 4.35Å; L520-L527 HydrophobicContact CD2-CG 4.29Å; L520-L531 HydrophobicContact CD2-CD2 3.97Å; L520-F532 HydrophobicContact CD2-CD2 4.34Å; L520-F532 HydrophobicContact CD2-CE2 3.9Å
521	R	89.4	Confident	87.7	Confident	91 Å²	91	49 Å²	49	34%	0.343	25%	0.247	S	C	.	.	H	α-helix	trans	-52.2	-39.2	174.9	-173.6	-172.8	60.3	-124.9	-19.3	112.6	R517 N518 Y528	R517-R521 PolarHBondContact O-N 3.22Å; N518-R521 WeakPolarHBondContact O-CB 3.28Å; N518-R521 PolarHBondContact O-N 3.3Å; N518-R521 PolarHBondContact OD1-NH1 3.21Å; N518-R521 PolarHBondContact OD1-NH2 3.44Å; N518-R521 VanDerWaalsContact OD1-NH2 3.14Å; R521-Y528 HydrophobicContact CB-CD1 4.13Å; R521-Y528 HydrophobicContact CB-CD2 3.51Å; R521-Y528 HydrophobicContact CB-CE1 4.26Å; R521-Y528 HydrophobicContact CB-CE2 3.67Å; R521-Y528 HydrophobicContact CB-CG 3.77Å; R521-Y528 HydrophobicContact CG-CD1 3.95Å; R521-Y528 HydrophobicContact CG-CD2 4.17Å; R521-Y528 HydrophobicContact CG-CE1 3.82Å; R521-Y528 HydrophobicContact CG-CE2 4.06Å; R521-Y528 HydrophobicContact CG-CG 4.13Å
522	D	88.7	Confident	87.7	Confident	91 Å²	91	47.4 Å²	47.4	49%	0.487	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-1.4	-171.1	-52.2	-17.2	0	0	0	112.8	N518 C519 L520	N518-D522 PolarHBondContact O-N 3.25Å; C519-D522 PolarHBondContact O-N 3.46Å; L520-D522 PolarHBondContact O-N 3.19Å; L520-D522 VanDerWaalsContact O-N 3.16Å
523	R	88.8	Confident	87.4	Confident	165 Å²	165	51.7 Å²	51.7	62%	0.623	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130	-33.2	-177.3	-63.5	-63.7	-175.9	-129	6.7	115	C466 P469 C519 L520	C466-R523 HydrophobicContact CB-CB 4.15Å; P469-R523 HydrophobicContact CB-CG 4.24Å; C519-R523 VanDerWaalsContact O-CB 3.22Å; C519-R523 WeakPolarHBondContact O-CB 3.34Å; C519-R523 WeakPolarHBondContact O-CG 3.44Å; C519-R523 PolarHBondContact O-N 2.62Å; L520-R523 PolarHBondContact O-N 2.95Å
524	D	86.6	Confident	86.9	Confident	32 Å²	32	56.3 Å²	56.3	17%	0.171	28%	0.277	C	S	.	.			trans	-138.8	81.9	171.2	-172	-17.9	0	0	0	109.3	L520 L526 L527 Y528	L520-D524 HydrophobicContact CD1-CB 4Å; L520-D524 CarbonylContact O-C 3.54Å; L520-D524 WeakPolarHBondContact O-CA 3.26Å; L520-D524 PolarHBondContact O-N 3.49Å; L520-D524 VanDerWaalsContact O-O 3.07Å; D524-L526 PolarHBondContact O-N 3.06Å; D524-L526 VanDerWaalsContact O-N 3.16Å; D524-L526 PolarHBondContact OD1-N 3.13Å; D524-L527 HydrophobicContact CB-CB 4.19Å; D524-L527 VanDerWaalsContact CG-CB 3.41Å; D524-L527 PolarHBondContact O-N 3.42Å; D524-L527 PolarHBondContact OD1-N 2.81Å; D524-L527 VanDerWaalsContact OD2-CB 3.27Å; D524-L527 WeakPolarHBondContact OD2-CB 3.33Å; D524-Y528 WeakPolarHBondContact O-CB 3.45Å; D524-Y528 PolarHBondContact O-N 3.28Å
525	P	86.6	Confident	86.1	Confident	83 Å²	83	59.4 Å²	59.4	54%	0.539	29%	0.285	S	S	.	.	H	α-helix	trans	-61.4	-22.1	-179.1	-23.3	34	0	0	0	113.7	K529	P525-K529 VanDerWaalsContact O-CB 3.31Å; P525-K529 WeakPolarHBondContact O-CB 3.36Å; P525-K529 PolarHBondContact O-N 3.34Å; P525-K529 VanDerWaalsContact O-N 3.09Å
526	L	82.4	Confident	84.6	Confident	124 Å²	124	60 Å²	60	65%	0.649	29%	0.291	S	S	*	.	H	α-helix	trans	-76.3	-56.1	177.8	-64.2	175	0	0	0	109.9	D524 Y528 K529 D530	D524-L526 PolarHBondContact O-N 3.06Å; D524-L526 VanDerWaalsContact O-N 3.16Å; D524-L526 PolarHBondContact OD1-N 3.13Å; L526-Y528 PolarHBondContact O-N 3.19Å; L526-K529 WeakPolarHBondContact O-CB 3.43Å; L526-K529 PolarHBondContact O-N 2.85Å; L526-D530 PolarHBondContact O-N 3.13Å; L526-D530 VanDerWaalsContact O-OD1 3.07Å
527	L	84.1	Confident	83.1	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.1	-29.6	177.4	-171.4	57.5	0	0	0	112.1	L460 R463 L464 L520 D524 L531	L460-L527 HydrophobicContact CD2-CD1 4.17Å; L460-L527 HydrophobicContact CD2-CD2 4.2Å; L460-L527 HydrophobicContact CD2-CG 4.3Å; R463-L527 HydrophobicContact CB-CD1 3.98Å; R463-L527 HydrophobicContact CB-CD2 4.04Å; L464-L527 HydrophobicContact CB-CD2 4.49Å; L464-L527 HydrophobicContact CD1-CD2 4.19Å; L520-L527 HydrophobicContact CD1-CB 4.35Å; L520-L527 HydrophobicContact CD1-CD2 4.19Å; L520-L527 HydrophobicContact CD1-CG 4.35Å; L520-L527 HydrophobicContact CD2-CG 4.29Å; D524-L527 HydrophobicContact CB-CB 4.19Å; D524-L527 VanDerWaalsContact CG-CB 3.41Å; D524-L527 PolarHBondContact O-N 3.42Å; D524-L527 PolarHBondContact OD1-N 2.81Å; D524-L527 VanDerWaalsContact OD2-CB 3.27Å; D524-L527 WeakPolarHBondContact OD2-CB 3.33Å; L527-L531 WeakPolarHBondContact O-CB 3.23Å; L527-L531 PolarHBondContact O-N 3.44Å
528	Y	87.1	Confident	81.2	Confident	56 Å²	56	63.6 Å²	63.6	22%	0.22	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-46.8	168.1	171.2	-95.3	0	0	0	112.9	R517 R521 D524 L526 L531 F532 V533	R517-Y528 HydrophobicContact CG-CD2 4.32Å; R517-Y528 HydrophobicContact CG-CE2 3.78Å; R521-Y528 HydrophobicContact CB-CD1 4.13Å; R521-Y528 HydrophobicContact CB-CD2 3.51Å; R521-Y528 HydrophobicContact CB-CE1 4.26Å; R521-Y528 HydrophobicContact CB-CE2 3.67Å; R521-Y528 HydrophobicContact CB-CG 3.77Å; R521-Y528 HydrophobicContact CG-CD1 3.95Å; R521-Y528 HydrophobicContact CG-CD2 4.17Å; R521-Y528 HydrophobicContact CG-CE1 3.82Å; R521-Y528 HydrophobicContact CG-CE2 4.06Å; R521-Y528 HydrophobicContact CG-CG 4.13Å; D524-Y528 WeakPolarHBondContact O-CB 3.45Å; D524-Y528 PolarHBondContact O-N 3.28Å; L526-Y528 PolarHBondContact O-N 3.19Å; Y528-L531 PolarHBondContact O-N 3.47Å; Y528-F532 HydrophobicContact CD2-CB 4.35Å; Y528-F532 AromaticContact CD2-CD2 3.56Å; Y528-F532 HydrophobicContact CD2-CD2 3.56Å; Y528-F532 HydrophobicContact CD2-CE2 4.32Å; Y528-F532 HydrophobicContact CD2-CG 4.36Å; Y528-F532 HydrophobicContact CE2-CB 4.07Å; Y528-F532 AromaticContact CE2-CD2 3.87Å; Y528-F532 HydrophobicContact CE2-CD2 3.87Å; Y528-F532 HydrophobicContact CE2-CG 4.29Å; Y528-F532 HydrophobicContact CG-CD2 4.43Å; Y528-F532 PolarHBondContact O-N 3.17Å; Y528-V533 HydrophobicContact CD1-CG2 4.38Å; Y528-V533 HydrophobicContact CE1-CG2 3.83Å
529	K	84.6	Confident	79.1	Confident	98 Å²	98	64.9 Å²	64.9	43%	0.426	31%	0.31	S	S	.	.	I	π-helix	trans	-63	-50.3	-179.8	-169.2	-165	-173.7	-140.7	0	110.4	P525 L526 L531 V533 E534	P525-K529 VanDerWaalsContact O-CB 3.31Å; P525-K529 WeakPolarHBondContact O-CB 3.36Å; P525-K529 PolarHBondContact O-N 3.34Å; P525-K529 VanDerWaalsContact O-N 3.09Å; L526-K529 WeakPolarHBondContact O-CB 3.43Å; L526-K529 PolarHBondContact O-N 2.85Å; K529-L531 VanDerWaalsContact C-N 3.34Å; K529-L531 PolarHBondContact O-N 3.03Å; K529-V533 HydrophobicContact CG-CB 4.22Å; K529-V533 WeakPolarHBondContact O-CA 3.41Å; K529-V533 WeakPolarHBondContact O-CB 3.42Å; K529-V533 PolarHBondContact O-N 2.77Å; K529-E534 WeakPolarHBondContact CE-OE1 3.27Å; K529-E534 HydrophobicContact CG-CG 4.32Å; K529-E534 IonicContact NZ-OE1 3.6Å; K529-E534 PolarHBondContact NZ-OE1 3.2Å; K529-E534 PolarHBondContact O-N 3.47Å
530	D	82.3	Confident	77	Confident	29 Å²	29	68.9 Å²	68.9	16%	0.155	33%	0.334	C	S	.	.	I	π-helix	trans	-57	-46.8	177.3	-60.6	11.8	0	0	0	110.9	R463 L526 K535 S536 V537	R463-D530 IonicContact CZ-OD2 2.76Å; R463-D530 IonicContact NH1-OD2 2.65Å; R463-D530 PolarHBondContact NH1-OD2 3.45Å; R463-D530 IonicContact NH2-OD2 3.7Å; R463-D530 PolarHBondContact NH2-OD2 2.78Å; L526-D530 PolarHBondContact O-N 3.13Å; L526-D530 VanDerWaalsContact O-OD1 3.07Å; D530-K535 CarbonylContact O-C 3.47Å; D530-K535 WeakPolarHBondContact O-CA 3.49Å; D530-K535 PolarHBondContact O-N 3.12Å; D530-S536 PolarHBondContact O-N 2.93Å; D530-V537 VanDerWaalsContact C-CG2 3.46Å; D530-V537 HydrophobicContact CB-CG2 3.61Å
531	L	83.3	Confident	74.8	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	36%	0.359	C	S	.	.	I	π-helix	trans	-76.9	-43.1	-172.7	-178	63.7	0	0	0	114.4	L452 I453 N456 L460 F516 L520 L527 Y528 K529 V537	L452-L531 HydrophobicContact CB-CD1 4.47Å; I453-L531 HydrophobicContact CG1-CD2 4.48Å; N456-L531 HydrophobicContact CB-CD1 3.65Å; N456-L531 WeakPolarHBondContact ND2-CD1 3.49Å; L460-L531 HydrophobicContact CD1-CD1 4.24Å; L460-L531 HydrophobicContact CD1-CD2 3.97Å; L460-L531 HydrophobicContact CD2-CD1 4.47Å; L460-L531 HydrophobicContact CD2-CD2 3.91Å; F516-L531 HydrophobicContact CE1-CD2 3.96Å; L520-L531 HydrophobicContact CD2-CD2 3.97Å; L527-L531 WeakPolarHBondContact O-CB 3.23Å; L527-L531 PolarHBondContact O-N 3.44Å; Y528-L531 PolarHBondContact O-N 3.47Å; K529-L531 VanDerWaalsContact C-N 3.34Å; K529-L531 PolarHBondContact O-N 3.03Å; L531-V537 VanDerWaalsContact CA-CG2 3.46Å; L531-V537 HydrophobicContact CB-CG2 3.86Å; L531-V537 HydrophobicContact CD1-CG2 4.12Å
532	F	83.6	Confident	72.7	Confident	25 Å²	25	70.7 Å²	70.7	11%	0.11	36%	0.357	C	S	.	.	I	π-helix	trans	-112.7	-17.5	-168.3	-65.3	-68	0	0	0	114.6	D449 L452 I453 F516 R517 L520 Y528	D449-F532 HydrophobicContact CB-CE1 3.9Å; L452-F532 HydrophobicContact CB-CE1 4.35Å; L452-F532 HydrophobicContact CD1-CD1 3.91Å; L452-F532 HydrophobicContact CD1-CE1 4.44Å; I453-F532 HydrophobicContact CD1-CZ 4.21Å; I453-F532 HydrophobicContact CG1-CE1 4.4Å; I453-F532 HydrophobicContact CG1-CZ 4.04Å; F516-F532 HydrophobicContact CD1-CE2 4.37Å; F516-F532 HydrophobicContact CD1-CZ 4.14Å; F516-F532 HydrophobicContact CE1-CE2 4.33Å; F516-F532 HydrophobicContact CE1-CZ 4.3Å; R517-F532 HydrophobicContact CB-CD2 4.37Å; R517-F532 HydrophobicContact CB-CE1 4.24Å; R517-F532 HydrophobicContact CB-CE2 3.72Å; R517-F532 HydrophobicContact CB-CZ 3.66Å; R517-F532 HydrophobicContact CG-CD1 4.21Å; R517-F532 HydrophobicContact CG-CD2 3.77Å; R517-F532 HydrophobicContact CG-CE1 4.15Å; R517-F532 HydrophobicContact CG-CE2 3.65Å; R517-F532 HydrophobicContact CG-CG 4.04Å; R517-F532 HydrophobicContact CG-CZ 3.86Å; L520-F532 HydrophobicContact CD2-CD2 4.34Å; L520-F532 HydrophobicContact CD2-CE2 3.9Å; Y528-F532 HydrophobicContact CD2-CB 4.35Å; Y528-F532 AromaticContact CD2-CD2 3.56Å; Y528-F532 HydrophobicContact CD2-CD2 3.56Å; Y528-F532 HydrophobicContact CD2-CE2 4.32Å; Y528-F532 HydrophobicContact CD2-CG 4.36Å; Y528-F532 HydrophobicContact CE2-CB 4.07Å; Y528-F532 AromaticContact CE2-CD2 3.87Å; Y528-F532 HydrophobicContact CE2-CD2 3.87Å; Y528-F532 HydrophobicContact CE2-CG 4.29Å; Y528-F532 HydrophobicContact CG-CD2 4.43Å; Y528-F532 PolarHBondContact O-N 3.17Å
533	V	82.4	Confident	70.6	Confident	91 Å²	91	75.3 Å²	75.3	55%	0.552	38%	0.375	S	S	*	.	I	π-helix	trans	-108	-55	-177.3	-174.9	0	0	0	0	111.2	Y528 K529	Y528-V533 HydrophobicContact CD1-CG2 4.38Å; Y528-V533 HydrophobicContact CE1-CG2 3.83Å; K529-V533 HydrophobicContact CG-CB 4.22Å; K529-V533 WeakPolarHBondContact O-CA 3.41Å; K529-V533 WeakPolarHBondContact O-CB 3.42Å; K529-V533 PolarHBondContact O-N 2.77Å
534	E	76.4	Confident	68.6	Low	97 Å²	97	73.5 Å²	73.5	45%	0.453	38%	0.378	S	S	.	.	S	Bend	trans	-89.1	-19.5	-179.4	-67.4	-176.6	-176.5	0	0	113.2	K529 S536	K529-E534 WeakPolarHBondContact CE-OE1 3.27Å; K529-E534 HydrophobicContact CG-CG 4.32Å; K529-E534 IonicContact NZ-OE1 3.6Å; K529-E534 PolarHBondContact NZ-OE1 3.2Å; K529-E534 PolarHBondContact O-N 3.47Å; E534-S536 WeakPolarHBondContact CB-OG 3.38Å; E534-S536 PolarHBondContact O-N 3.36Å; E534-S536 PolarHBondContact OE2-OG 2.83Å
535	K	73.7	Confident	67	Low	109 Å²	109	73.4 Å²	73.4	47%	0.474	38%	0.379	S	S	.	.			trans	53.7	31.1	-172.8	-56.5	-173.7	174	-162.1	0	112.1	D448 L452 D530	D448-K535 IonicContact OD1-NZ 3.22Å; D448-K535 PolarHBondContact OD1-NZ 3.13Å; D448-K535 IonicContact OD2-NZ 3.38Å; D448-K535 PolarHBondContact OD2-NZ 3.03Å; L452-K535 HydrophobicContact CD2-CD 3.86Å; L452-K535 HydrophobicContact CD2-CG 4.01Å; D530-K535 CarbonylContact O-C 3.47Å; D530-K535 WeakPolarHBondContact O-CA 3.49Å; D530-K535 PolarHBondContact O-N 3.12Å
536	S	58.8	Low	65.4	Low	43 Å²	43	73.6 Å²	73.6	30%	0.301	38%	0.382	S	S	.	.			trans	-103.2	16.4	-166.2	61.8	0	0	0	0	114.5	D530 E534 K538	D530-S536 PolarHBondContact O-N 2.93Å; E534-S536 WeakPolarHBondContact CB-OG 3.38Å; E534-S536 PolarHBondContact O-N 3.36Å; E534-S536 PolarHBondContact OE2-OG 2.83Å; S536-K538 PolarHBondContact O-N 3.5Å
537	V	62.3	Low	64.1	Low	11 Å²	11	71.2 Å²	71.2	7%	0.067	39%	0.388	C	S	.	.			trans	-69.7	73.1	-179.7	-169.4	0	0	0	0	111.3	A459 D530 L531 Y539	A459-V537 HydrophobicContact CB-CG1 3.56Å; D530-V537 VanDerWaalsContact C-CG2 3.46Å; D530-V537 HydrophobicContact CB-CG2 3.61Å; L531-V537 VanDerWaalsContact CA-CG2 3.46Å; L531-V537 HydrophobicContact CB-CG2 3.86Å; L531-V537 HydrophobicContact CD1-CG2 4.12Å; V537-Y539 PolarHBondContact O-N 3.19Å
538	K	51.7	Low	63	Low	115 Å²	115	74 Å²	74	50%	0.5	40%	0.402	S	S	.	.			trans	-66.9	131.8	173	-63.5	-167.8	174.1	-166.3	0	109.4	D360 S536 V540	D360-K538 IonicContact OD1-NZ 2.91Å; D360-K538 PolarHBondContact OD1-NZ 3.34Å; S536-K538 PolarHBondContact O-N 3.5Å; K538-V540 HydrophobicContact CB-CG2 3.98Å; K538-V540 PolarHBondContact O-N 3.27Å
539	Y	47.2	Very low	61.8	Low	84 Å²	84	75.1 Å²	75.1	33%	0.329	42%	0.416	S	S	.	.			trans	-71.8	113.5	157.7	172.3	-106.1	0	0	0	106.9	V537 P541 I596	V537-Y539 PolarHBondContact O-N 3.19Å; Y539-P541 HydrophobicContact CE1-CG 4.21Å; Y539-I596 HydrophobicContact CD1-CD1 4.16Å; Y539-I596 HydrophobicContact CD1-CG2 4.23Å; Y539-I596 HydrophobicContact CE1-CD1 4.21Å; Y539-I596 HydrophobicContact CG-CD1 4.45Å
540	V	45.4	Very low	60	Low	103 Å²	103	75.6 Å²	75.6	62%	0.624	42%	0.421	S	S	*	.			trans	-109	110.4	-177.8	178.1	0	0	0	0	107.9	K538	K538-V540 HydrophobicContact CB-CG2 3.98Å; K538-V540 PolarHBondContact O-N 3.27Å
541	P	44.7	Very low	58.8	Low	81 Å²	81	81 Å²	81	53%	0.526	45%	0.446	S	S	.	.			trans	-54.7	136.7	163.2	-22.1	34	0	0	0	109.8	Y539 E543	Y539-P541 HydrophobicContact CE1-CG 4.21Å; P541-E543 PolarHBondContact O-N 3.28Å
542	T	45.5	Very low	57.6	Low	47 Å²	47	83 Å²	83	29%	0.288	46%	0.455	S	S	.	.			trans	-80.6	76.7	-166.5	12.8	0	0	0	0	113.2	E560	T542-E560 PolarHBondContact OG1-OE1 3.15Å
543	E	44.2	Very low	56.1	Low	188 Å²	188	83.7 Å²	83.7	88%	0.879	46%	0.459	S	S	*	.			trans	-62.6	141.8	169.8	-68.8	-159.3	143.9	0	0	112.4	P541	P541-E543 PolarHBondContact O-N 3.28Å
544	D	46.9	Very low	54.5	Low	127 Å²	127	83.8 Å²	83.8	68%	0.679	46%	0.456	S	S	*	.			trans	44.2	85.6	-172.7	-158.6	0.3	0	0	0	117.3	S546	D544-S546 VanDerWaalsContact C-N 3.3Å; D544-S546 WeakPolarHBondContact OD1-CB 3.1Å; D544-S546 PolarHBondContact OD1-N 3.05Å; D544-S546 PolarHBondContact OD1-OG 2.89Å; D544-S546 PolarHBondContact OD2-OG 3.11Å
545	V	54.3	Low	53.7	Low	31 Å²	31	84.8 Å²	84.8	19%	0.188	46%	0.455	C	S	.	.			trans	-80.1	-5.3	171.7	-139.4	0	0	0	0	113.3	G547 L548 Q553 R556	V545-G547 VanDerWaalsContact C-N 3.31Å; V545-G547 PolarHBondContact O-N 3.44Å; V545-L548 HydrophobicContact CG1-CD1 3.95Å; V545-L548 PolarHBondContact O-N 2.91Å; V545-Q553 HydrophobicContact CB-CG 4.49Å; V545-Q553 HydrophobicContact CG1-CB 4.31Å; V545-Q553 HydrophobicContact CG1-CG 3.95Å; V545-Q553 WeakPolarHBondContact O-CG 3.33Å; V545-Q553 PolarHBondContact O-NE2 3.35Å; V545-R556 HydrophobicContact CG1-CB 4.38Å
546	S	53.3	Low	53.3	Low	86 Å²	86	82.8 Å²	82.8	60%	0.601	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-27.1	-164.4	70.3	0	0	0	0	114.8	D544 Q553	D544-S546 VanDerWaalsContact C-N 3.3Å; D544-S546 WeakPolarHBondContact OD1-CB 3.1Å; D544-S546 PolarHBondContact OD1-N 3.05Å; D544-S546 PolarHBondContact OD1-OG 2.89Å; D544-S546 PolarHBondContact OD2-OG 3.11Å; S546-Q553 PolarHBondContact O-NE2 3.38Å
547	G	54	Low	53.2	Low	75 Å²	75	84.6 Å²	84.6	77%	0.773	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	3.6	-179.5	0	0	0	0	0	116.1	V545	V545-G547 VanDerWaalsContact C-N 3.31Å; V545-G547 PolarHBondContact O-N 3.44Å
548	L	60.5	Low	52.9	Low	57 Å²	57	90.7 Å²	90.7	30%	0.298	48%	0.478	S	S	.	.	S	Bend	trans	-100.8	156.6	-174.1	-66.3	171.4	0	0	0	113.1	V545 E552 Q553	V545-L548 HydrophobicContact CG1-CD1 3.95Å; V545-L548 PolarHBondContact O-N 2.91Å; L548-E552 HydrophobicContact CB-CB 4.35Å; L548-E552 HydrophobicContact CB-CG 4.18Å; L548-E552 HydrophobicContact CD1-CG 4.01Å; L548-E552 HydrophobicContact CD2-CG 4.42Å; L548-E552 HydrophobicContact CG-CG 4.44Å; L548-Q553 HydrophobicContact CB-CG 4.04Å; L548-Q553 VanDerWaalsContact O-CD 3.29Å; L548-Q553 PolarHBondContact O-NE2 3.48Å
549	P	63	Low	53.5	Low	80 Å²	80	88.7 Å²	88.7	52%	0.519	47%	0.471	S	S	.	.			trans	-56.5	146.6	171.9	-23.9	34.3	0	0	0	112.1	E551 E552 Q553	P549-E551 PolarHBondContact O-N 3.25Å; P549-E551 VanDerWaalsContact O-N 3.12Å; P549-E552 WeakPolarHBondContact O-CA 3.4Å; P549-E552 WeakPolarHBondContact O-CB 3.32Å; P549-E552 PolarHBondContact O-N 3.45Å; P549-Q553 WeakPolarHBondContact O-CG 3.13Å; P549-Q553 PolarHBondContact O-N 3.48Å
550	M	46.8	Very low	54.2	Low	108 Å²	108	88.1 Å²	88.1	53%	0.532	47%	0.471	S	S	.	.	H	α-helix	trans	-55.5	-35.5	-175.4	-170.5	70.8	-165.2	0	0	112.5	Q553 L554	M550-Q553 PolarHBondContact O-N 3.33Å; M550-L554 HydrophobicContact CE-CD1 4.14Å; M550-L554 HydrophobicContact CE-CD2 4.19Å; M550-L554 HydrophobicContact CE-CG 4.08Å; M550-L554 HydrophobicContact CG-CD1 4.15Å; M550-L554 WeakPolarHBondContact O-CB 3.28Å; M550-L554 VanDerWaalsContact O-CG 3.24Å; M550-L554 WeakPolarHBondContact O-CG 3.33Å; M550-L554 PolarHBondContact O-N 3.34Å
551	E	57.3	Low	55.3	Low	144 Å²	144	88.7 Å²	88.7	67%	0.673	46%	0.462	S	S	*	.	H	α-helix	trans	-68.3	-36.8	178	-60.4	72.4	-160	0	0	112.1	P549 R555	P549-E551 PolarHBondContact O-N 3.25Å; P549-E551 VanDerWaalsContact O-N 3.12Å; E551-R555 WeakPolarHBondContact O-CB 3.37Å; E551-R555 PolarHBondContact O-N 3Å
552	E	58.2	Low	56.6	Low	40 Å²	40	86 Å²	86	19%	0.187	44%	0.444	C	S	.	.	H	α-helix	trans	-73.8	-39.1	174.4	-179.6	68.2	-164.2	0	0	111	L548 P549 R555 R556	L548-E552 HydrophobicContact CB-CB 4.35Å; L548-E552 HydrophobicContact CB-CG 4.18Å; L548-E552 HydrophobicContact CD1-CG 4.01Å; L548-E552 HydrophobicContact CD2-CG 4.42Å; L548-E552 HydrophobicContact CG-CG 4.44Å; P549-E552 WeakPolarHBondContact O-CA 3.4Å; P549-E552 WeakPolarHBondContact O-CB 3.32Å; P549-E552 PolarHBondContact O-N 3.45Å; E552-R555 PolarHBondContact O-N 2.76Å; E552-R555 IonicContact OE1-CZ 2.76Å; E552-R555 IonicContact OE1-NH1 2.73Å; E552-R555 IonicContact OE1-NH2 2.75Å; E552-R555 PolarHBondContact OE1-NH2 2.97Å; E552-R555 IonicContact OE2-CZ 2.79Å; E552-R555 VanDerWaalsContact OE2-CZ 3.26Å; E552-R555 IonicContact OE2-NH1 3.01Å; E552-R555 PolarHBondContact OE2-NH1 3.06Å; E552-R555 IonicContact OE2-NH2 2.7Å; E552-R555 PolarHBondContact OE2-NH2 3.03Å; E552-R556 WeakPolarHBondContact O-CG 3.2Å; E552-R556 PolarHBondContact O-N 3.15Å; E552-R556 IonicContact OE1-CZ 2.6Å; E552-R556 VanDerWaalsContact OE1-CZ 3.31Å; E552-R556 IonicContact OE1-NE 2.71Å; E552-R556 PolarHBondContact OE1-NE 2.79Å; E552-R556 IonicContact OE1-NH2 3.31Å; E552-R556 PolarHBondContact OE1-NH2 3.06Å
553	Q	50.6	Low	58.1	Low	40 Å²	40	83.8 Å²	83.8	19%	0.187	43%	0.431	C	S	.	.	H	α-helix	trans	-58.5	-50.2	173	-69.6	177.7	-24.3	0	0	110.8	V545 S546 L548 P549 M550 R556 L557	V545-Q553 HydrophobicContact CB-CG 4.49Å; V545-Q553 HydrophobicContact CG1-CB 4.31Å; V545-Q553 HydrophobicContact CG1-CG 3.95Å; V545-Q553 WeakPolarHBondContact O-CG 3.33Å; V545-Q553 PolarHBondContact O-NE2 3.35Å; S546-Q553 PolarHBondContact O-NE2 3.38Å; L548-Q553 HydrophobicContact CB-CG 4.04Å; L548-Q553 VanDerWaalsContact O-CD 3.29Å; L548-Q553 PolarHBondContact O-NE2 3.48Å; P549-Q553 WeakPolarHBondContact O-CG 3.13Å; P549-Q553 PolarHBondContact O-N 3.48Å; M550-Q553 PolarHBondContact O-N 3.33Å; Q553-R556 PolarHBondContact O-N 3Å; Q553-L557 VanDerWaalsContact O-CG 3.32Å; Q553-L557 WeakPolarHBondContact O-CG 3.49Å; Q553-L557 PolarHBondContact O-N 2.88Å
554	L	49.3	Very low	59.6	Low	94 Å²	94	75.2 Å²	75.2	49%	0.492	39%	0.39	S	S	.	.	H	α-helix	trans	-62.3	-42.6	177	-72.9	168.7	0	0	0	112	M550 R556 L557 Q558	M550-L554 HydrophobicContact CE-CD1 4.14Å; M550-L554 HydrophobicContact CE-CD2 4.19Å; M550-L554 HydrophobicContact CE-CG 4.08Å; M550-L554 HydrophobicContact CG-CD1 4.15Å; M550-L554 WeakPolarHBondContact O-CB 3.28Å; M550-L554 VanDerWaalsContact O-CG 3.24Å; M550-L554 WeakPolarHBondContact O-CG 3.33Å; M550-L554 PolarHBondContact O-N 3.34Å; L554-R556 PolarHBondContact O-N 2.76Å; L554-L557 PolarHBondContact O-N 2.83Å; L554-Q558 WeakPolarHBondContact O-CB 3.38Å; L554-Q558 PolarHBondContact O-N 2.61Å
555	R	59.8	Low	60.9	Low	117 Å²	117	71.3 Å²	71.3	44%	0.442	37%	0.371	S	S	.	.	H	α-helix	trans	-62.4	-41.6	177.4	-153.4	-169.1	76.5	-122.8	-18.7	111.7	E551 E552 Q558 E559	E551-R555 WeakPolarHBondContact O-CB 3.37Å; E551-R555 PolarHBondContact O-N 3Å; E552-R555 PolarHBondContact O-N 2.76Å; E552-R555 IonicContact OE1-CZ 2.76Å; E552-R555 IonicContact OE1-NH1 2.73Å; E552-R555 IonicContact OE1-NH2 2.75Å; E552-R555 PolarHBondContact OE1-NH2 2.97Å; E552-R555 IonicContact OE2-CZ 2.79Å; E552-R555 VanDerWaalsContact OE2-CZ 3.26Å; E552-R555 IonicContact OE2-NH1 3.01Å; E552-R555 PolarHBondContact OE2-NH1 3.06Å; E552-R555 IonicContact OE2-NH2 2.7Å; E552-R555 PolarHBondContact OE2-NH2 3.03Å; R555-Q558 PolarHBondContact O-N 3.45Å; R555-E559 IonicContact CZ-OE1 2.82Å; R555-E559 IonicContact NE-OE1 2.59Å; R555-E559 PolarHBondContact NE-OE1 3.27Å; R555-E559 IonicContact NH2-OE1 3.18Å; R555-E559 PolarHBondContact NH2-OE1 3.15Å; R555-E559 WeakPolarHBondContact O-CB 3.18Å; R555-E559 VanDerWaalsContact O-CG 3.32Å; R555-E559 WeakPolarHBondContact O-CG 3.19Å; R555-E559 PolarHBondContact O-N 3.42Å
556	R	64.4	Low	61.8	Low	68 Å²	68	70.9 Å²	70.9	26%	0.257	37%	0.369	S	S	.	.	H	α-helix	trans	-66.3	-46.3	177.1	-72.9	176.5	-173.5	-143	0.7	112.9	V545 E552 Q553 L554 Q558 E559 E560	V545-R556 HydrophobicContact CG1-CB 4.38Å; E552-R556 WeakPolarHBondContact O-CG 3.2Å; E552-R556 PolarHBondContact O-N 3.15Å; E552-R556 IonicContact OE1-CZ 2.6Å; E552-R556 VanDerWaalsContact OE1-CZ 3.31Å; E552-R556 IonicContact OE1-NE 2.71Å; E552-R556 PolarHBondContact OE1-NE 2.79Å; E552-R556 IonicContact OE1-NH2 3.31Å; E552-R556 PolarHBondContact OE1-NH2 3.06Å; Q553-R556 PolarHBondContact O-N 3Å; L554-R556 PolarHBondContact O-N 2.76Å; R556-Q558 PolarHBondContact O-N 3.28Å; R556-E559 PolarHBondContact O-N 3.29Å; R556-E559 VanDerWaalsContact O-N 3.15Å; R556-E560 WeakPolarHBondContact O-CB 3.34Å; R556-E560 WeakPolarHBondContact O-CG 3.38Å; R556-E560 PolarHBondContact O-N 3.27Å
557	L	57.6	Low	62.7	Low	81 Å²	81	67.9 Å²	67.9	42%	0.424	35%	0.346	S	S	.	.	H	α-helix	trans	-60.1	-35.2	175.5	-70.1	167.8	0	0	0	111.8	Q553 L554 R561	Q553-L557 VanDerWaalsContact O-CG 3.32Å; Q553-L557 WeakPolarHBondContact O-CG 3.49Å; Q553-L557 PolarHBondContact O-N 2.88Å; L554-L557 PolarHBondContact O-N 2.83Å; L557-R561 WeakPolarHBondContact O-CB 3.41Å; L557-R561 WeakPolarHBondContact O-CG 3.25Å; L557-R561 PolarHBondContact O-N 2.86Å
558	Q	56.8	Low	63.7	Low	138 Å²	138	69.9 Å²	69.9	65%	0.645	34%	0.339	S	S	*	.	H	α-helix	trans	-72.6	-42.7	173.8	-171.3	174.5	3	0	0	112.1	L554 R555 R556 R561 T562	L554-Q558 WeakPolarHBondContact O-CB 3.38Å; L554-Q558 PolarHBondContact O-N 2.61Å; R555-Q558 PolarHBondContact O-N 3.45Å; R556-Q558 PolarHBondContact O-N 3.28Å; Q558-R561 PolarHBondContact O-N 3.11Å; Q558-T562 WeakPolarHBondContact O-CB 3.29Å; Q558-T562 PolarHBondContact O-N 3.36Å; Q558-T562 PolarHBondContact O-OG1 3.33Å
559	E	62.8	Low	64.4	Low	73 Å²	73	71.3 Å²	71.3	34%	0.341	34%	0.343	S	S	.	.	H	α-helix	trans	-59.8	-46.7	174.8	-79.8	171.5	-146.6	0	0	111.6	R555 R556 T562 K564	R555-E559 IonicContact CZ-OE1 2.82Å; R555-E559 IonicContact NE-OE1 2.59Å; R555-E559 PolarHBondContact NE-OE1 3.27Å; R555-E559 IonicContact NH2-OE1 3.18Å; R555-E559 PolarHBondContact NH2-OE1 3.15Å; R555-E559 WeakPolarHBondContact O-CB 3.18Å; R555-E559 VanDerWaalsContact O-CG 3.32Å; R555-E559 WeakPolarHBondContact O-CG 3.19Å; R555-E559 PolarHBondContact O-N 3.42Å; R556-E559 PolarHBondContact O-N 3.29Å; R556-E559 VanDerWaalsContact O-N 3.15Å; E559-T562 PolarHBondContact O-N 3.23Å; E559-T562 VanDerWaalsContact O-N 3.13Å; E559-K564 PolarHBondContact O-NZ 3.25Å
560	E	63.2	Low	64.8	Low	73 Å²	73	73.5 Å²	73.5	34%	0.341	35%	0.346	S	S	.	.	H	α-helix	trans	-55.9	-50.3	175.5	-78.5	178.2	173.4	0	0	111.3	T542 R556 T562 K564	T542-E560 PolarHBondContact OG1-OE1 3.15Å; R556-E560 WeakPolarHBondContact O-CB 3.34Å; R556-E560 WeakPolarHBondContact O-CG 3.38Å; R556-E560 PolarHBondContact O-N 3.27Å; E560-T562 PolarHBondContact O-N 2.87Å; E560-K564 PolarHBondContact O-NZ 2.76Å
561	R	68.6	Low	66.1	Low	115 Å²	115	68.8 Å²	68.8	43%	0.434	32%	0.323	S	S	.	.	H	α-helix	trans	-70.6	-10.4	177.7	-69	179.3	178.7	-132.2	-2.6	114.2	L557 Q558 E570 V571 L609	L557-R561 WeakPolarHBondContact O-CB 3.41Å; L557-R561 WeakPolarHBondContact O-CG 3.25Å; L557-R561 PolarHBondContact O-N 2.86Å; Q558-R561 PolarHBondContact O-N 3.11Å; R561-E570 CarbonylContact O-C 3.5Å; R561-E570 VanDerWaalsContact O-CA 3.22Å; R561-E570 WeakPolarHBondContact O-CA 3.39Å; R561-V571 PolarHBondContact O-N 3.05Å; R561-L609 HydrophobicContact CG-CD1 4.32Å
562	T	72.4	Confident	66.7	Low	25 Å²	25	63.1 Å²	63.1	15%	0.153	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-90.3	138.4	-178.6	-61.5	0	0	0	0	113	Q558 E559 E560 K564	Q558-T562 WeakPolarHBondContact O-CB 3.29Å; Q558-T562 PolarHBondContact O-N 3.36Å; Q558-T562 PolarHBondContact O-OG1 3.33Å; E559-T562 PolarHBondContact O-N 3.23Å; E559-T562 VanDerWaalsContact O-N 3.13Å; E560-T562 PolarHBondContact O-N 2.87Å; T562-K564 WeakPolarHBondContact O-CD 3.33Å; T562-K564 VanDerWaalsContact O-CE 3.31Å; T562-K564 WeakPolarHBondContact O-CE 3.22Å; T562-K564 PolarHBondContact O-N 3.2Å; T562-K564 PolarHBondContact O-NZ 2.98Å
563	C	76.6	Confident	67.3	Low	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.292	C	S	.	.			trans	-58.7	119.5	177.2	170.3	0	0	0	0	112.4	V565 C566 M567 K569 V583 C584	C563-V565 PolarHBondContact O-N 2.88Å; C563-C566 VanDerWaalsContact CB-SG 3.52Å; C563-C566 PolarHBondContact SG-N 2.83Å; C563-C566 PolarHBondContact SG-SG 3.23Å; C563-M567 WeakPolarHBondContact O-CA 3.11Å; C563-M567 PolarHBondContact O-N 2.73Å; C563-K569 WeakPolarHBondContact CB-O 3.44Å; C563-K569 PolarHBondContact N-O 2.91Å; C563-V583 VanDerWaalsContact SG-CA 3.52Å; C563-C584 HydrophobicContact CB-CB 4Å; C563-C584 PolarHBondContact SG-N 2.72Å
564	K	74.3	Confident	68.2	Low	7 Å²	7	59.5 Å²	59.5	3%	0.03	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-2.3	-175.3	-40	-54.8	168	-160.8	0	114.6	M458 E559 E560 T562 M567 V582	M458-K564 HydrophobicContact SD-CB 4.06Å; E559-K564 PolarHBondContact O-NZ 3.25Å; E560-K564 PolarHBondContact O-NZ 2.76Å; T562-K564 WeakPolarHBondContact O-CD 3.33Å; T562-K564 VanDerWaalsContact O-CE 3.31Å; T562-K564 WeakPolarHBondContact O-CE 3.22Å; T562-K564 PolarHBondContact O-N 3.2Å; T562-K564 PolarHBondContact O-NZ 2.98Å; K564-M567 HydrophobicContact CB-CE 4.34Å; K564-V582 HydrophobicContact CB-CG1 3.97Å; K564-V582 HydrophobicContact CG-CG1 3.53Å; K564-V582 PolarHBondContact N-O 2.93Å
565	V	75.2	Confident	68.9	Low	45 Å²	45	55 Å²	55	27%	0.273	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-59.1	175.2	176.6	0	0	0	0	111.3	R499 C563 V583 C587 L591	R499-V565 VanDerWaalsContact CD-O 3.25Å; R499-V565 WeakPolarHBondContact CD-O 3.34Å; R499-V565 PolarHBondContact NH1-O 3.5Å; C563-V565 PolarHBondContact O-N 2.88Å; V565-V583 HydrophobicContact CB-CG1 4.36Å; V565-V583 HydrophobicContact CG2-CG1 3.69Å; V565-C587 HydrophobicContact CB-CB 3.91Å; V565-C587 HydrophobicContact CG1-CB 3.94Å; V565-C587 HydrophobicContact CG2-CB 4.47Å; V565-L591 HydrophobicContact CG2-CD1 4.09Å
566	C	73.3	Confident	68.7	Low	22 Å²	22	49.7 Å²	49.7	15%	0.149	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-21.3	-179.6	63.7	0	0	0	0	113.9	R499 C563 D568 K569	R499-C566 PolarHBondContact NH1-O 3.1Å; C563-C566 VanDerWaalsContact CB-SG 3.52Å; C563-C566 PolarHBondContact SG-N 2.83Å; C563-C566 PolarHBondContact SG-SG 3.23Å; C566-D568 HydrophobicContact CB-CB 4.16Å; C566-D568 WeakPolarHBondContact O-CB 3.44Å; C566-D568 PolarHBondContact O-N 2.87Å; C566-K569 PolarHBondContact SG-N 3.34Å; C566-K569 VanDerWaalsContact SG-N 3.37Å
567	M	72.6	Confident	67.9	Low	23 Å²	23	50.1 Å²	50.1	11%	0.113	25%	0.251	C	S	.	.	S	Bend	trans	48.8	43.1	-175.4	-62.8	-61	-161.9	0	0	112.2	F461 Q462 L496 C563 K564	F461-M567 HydrophobicContact CB-CE 3.71Å; F461-M567 HydrophobicContact CD2-CE 4.05Å; F461-M567 HydrophobicContact CG-CE 4.4Å; Q462-M567 HydrophobicContact CG-CE 4.4Å; L496-M567 HydrophobicContact CD2-CB 3.8Å; C563-M567 WeakPolarHBondContact O-CA 3.11Å; C563-M567 PolarHBondContact O-N 2.73Å; K564-M567 HydrophobicContact CB-CE 4.34Å
568	D	74.1	Confident	67.8	Low	118 Å²	118	47 Å²	47	63%	0.631	24%	0.236	S	C	*	.	S	Bend	trans	-149.7	-61.7	-166.3	162.6	53.8	0	0	0	110.6	C566	C566-D568 HydrophobicContact CB-CB 4.16Å; C566-D568 WeakPolarHBondContact O-CB 3.44Å; C566-D568 PolarHBondContact O-N 2.87Å
569	K	74.8	Confident	67.6	Low	87 Å²	87	40.5 Å²	40.5	38%	0.378	21%	0.206	S	C	.	.	S	Bend	trans	-90	156.2	179.4	-65	178.8	177.1	179.8	0	112.8	C563 C566 C584 E586	C563-K569 WeakPolarHBondContact CB-O 3.44Å; C563-K569 PolarHBondContact N-O 2.91Å; C566-K569 PolarHBondContact SG-N 3.34Å; C566-K569 VanDerWaalsContact SG-N 3.37Å; K569-C584 HydrophobicContact CB-CB 3.69Å; K569-C584 HydrophobicContact CD-CB 4.49Å; K569-E586 WeakPolarHBondContact CD-OE2 3.46Å; K569-E586 IonicContact NZ-OE1 3.44Å; K569-E586 PolarHBondContact NZ-OE1 3.2Å; K569-E586 IonicContact NZ-OE2 3.37Å
570	E	71.5	Confident	67.7	Low	125 Å²	125	38.8 Å²	38.8	58%	0.584	20%	0.198	S	C	*	.	B	Isolated β-bridge	trans	-66.4	149	175.2	-62	-176.3	138.3	0	0	113.5	R561 S572 C584	R561-E570 CarbonylContact O-C 3.5Å; R561-E570 VanDerWaalsContact O-CA 3.22Å; R561-E570 WeakPolarHBondContact O-CA 3.39Å; E570-S572 PolarHBondContact O-N 3.25Å; E570-S572 PolarHBondContact O-OG 2.9Å; E570-C584 WeakPolarHBondContact O-CA 3.41Å; E570-C584 WeakPolarHBondContact O-CB 3.37Å
571	V	75.2	Confident	68	Low	9 Å²	9	38 Å²	38	6%	0.055	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-63.4	129.7	169.8	-60.9	0	0	0	0	109.9	R561 L581 L609	R561-V571 PolarHBondContact O-N 3.05Å; V571-L581 HydrophobicContact CB-CD1 3.82Å; V571-L581 HydrophobicContact CB-CG 3.98Å; V571-L581 HydrophobicContact CG2-CD1 3.97Å; V571-L581 HydrophobicContact CG2-CD2 4.04Å; V571-L581 HydrophobicContact CG2-CG 3.71Å; V571-L609 HydrophobicContact CG2-CD1 3.91Å
572	S	68.5	Low	68.3	Low	26 Å²	26	32.7 Å²	32.7	18%	0.182	18%	0.176	C	C	.	.			trans	-150.6	12	-174.7	39.8	0	0	0	0	112.8	E570 V583 C584 K585 R606 T607	E570-S572 PolarHBondContact O-N 3.25Å; E570-S572 PolarHBondContact O-OG 2.9Å; S572-V583 PolarHBondContact N-O 3.11Å; S572-C584 WeakPolarHBondContact OG-CA 3.3Å; S572-K585 PolarHBondContact OG-N 3.25Å; S572-R606 WeakPolarHBondContact O-CA 3.32Å; S572-T607 WeakPolarHBondContact CA-OG1 3.24Å; S572-T607 PolarHBondContact O-N 3.08Å; S572-T607 PolarHBondContact O-OG1 3.03Å
573	I	72.3	Confident	68.4	Low	3 Å²	3	31.5 Å²	31.5	2%	0.015	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	122.6	179.3	-58.1	-69.6	0	0	0	110.8	F575 L581 V583 K585 A588 T604 V605 R606	I573-F575 HydrophobicContact CG2-CD1 4.33Å; I573-F575 HydrophobicContact CG2-CE1 4.22Å; I573-L581 WeakPolarHBondContact O-CD1 3.34Å; I573-V583 HydrophobicContact CB-CG2 4.03Å; I573-V583 HydrophobicContact CG2-CG2 4.42Å; I573-V583 PolarHBondContact N-O 3.49Å; I573-K585 HydrophobicContact CD1-CB 4.11Å; I573-K585 HydrophobicContact CG1-CB 4.33Å; I573-A588 HydrophobicContact CB-CB 4.2Å; I573-A588 HydrophobicContact CG1-CB 3.94Å; I573-A588 HydrophobicContact CG2-CB 3.82Å; I573-T604 HydrophobicContact CG2-CG2 3.72Å; I573-V605 WeakPolarHBondContact CA-O 3.28Å; I573-R606 HydrophobicContact CD1-CB 4.24Å
574	V	69	Low	68.5	Low	1 Å²	1	31.6 Å²	31.6	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	135.5	164	161.7	0	0	0	0	109.4	L348 L352 G579 L581 T604 V605 T607	L348-V574 HydrophobicContact CD1-CG1 4.47Å; L352-V574 HydrophobicContact CD2-CG2 4.09Å; V574-G579 WeakPolarHBondContact CG1-O 3.31Å; V574-L581 HydrophobicContact CG2-CB 3.99Å; V574-L581 HydrophobicContact CG2-CD1 4.3Å; V574-T604 WeakPolarHBondContact O-CA 3.45Å; V574-V605 HydrophobicContact CB-CB 4.36Å; V574-V605 PolarHBondContact N-O 2.9Å; V574-V605 PolarHBondContact O-N 3.09Å; V574-T607 HydrophobicContact CB-CG2 4.48Å; V574-T607 HydrophobicContact CG2-CG2 3.7Å
575	F	63.4	Low	68.5	Low	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.5	176.5	-69.9	-53.4	0	0	0	113.2	I573 C578 G579 H580 V582 V583 A588 L591 P595 I601 T604	I573-F575 HydrophobicContact CG2-CD1 4.33Å; I573-F575 HydrophobicContact CG2-CE1 4.22Å; F575-C578 PolarHBondContact O-N 2.84Å; F575-C578 VanDerWaalsContact O-N 3.13Å; F575-G579 PolarHBondContact O-N 3.34Å; F575-H580 PolarHBondContact N-O 2.93Å; F575-H580 VanDerWaalsContact N-O 3.17Å; F575-V582 HydrophobicContact CD2-CG2 4.39Å; F575-V582 HydrophobicContact CE2-CB 4.31Å; F575-V582 HydrophobicContact CE2-CG2 4.44Å; F575-V583 HydrophobicContact CE1-CG2 4.19Å; F575-V583 HydrophobicContact CE2-CG1 4.4Å; F575-V583 HydrophobicContact CE2-CG2 3.95Å; F575-V583 HydrophobicContact CZ-CG1 4.36Å; F575-V583 HydrophobicContact CZ-CG2 3.44Å; F575-V583 VanDerWaalsContact CZ-CG2 3.44Å; F575-A588 HydrophobicContact CE1-CB 4.06Å; F575-A588 HydrophobicContact CZ-CB 4.44Å; F575-L591 HydrophobicContact CE2-CD1 4.32Å; F575-L591 HydrophobicContact CZ-CB 4.44Å; F575-L591 HydrophobicContact CZ-CD1 3.71Å; F575-P595 HydrophobicContact CE2-CG 4.44Å; F575-I601 HydrophobicContact CB-CG1 4.25Å; F575-I601 HydrophobicContact CB-CG2 4.37Å; F575-I601 HydrophobicContact CD1-CB 4.28Å; F575-I601 HydrophobicContact CD1-CD1 3.63Å; F575-I601 HydrophobicContact CD1-CG1 3.79Å; F575-I601 HydrophobicContact CD1-CG2 3.45Å; F575-I601 VanDerWaalsContact CD1-CG2 3.45Å; F575-I601 HydrophobicContact CD2-CD1 4.28Å; F575-I601 HydrophobicContact CE1-CD1 3.51Å; F575-I601 HydrophobicContact CE1-CG1 4.21Å; F575-I601 HydrophobicContact CE1-CG2 4.06Å; F575-I601 HydrophobicContact CE2-CD1 4.17Å; F575-I601 HydrophobicContact CG-CD1 4.01Å; F575-I601 HydrophobicContact CG-CG1 3.95Å; F575-I601 HydrophobicContact CG-CG2 4.22Å; F575-I601 HydrophobicContact CZ-CD1 3.78Å; F575-T604 HydrophobicContact CD1-CG2 3.92Å; F575-T604 HydrophobicContact CE1-CG2 4Å
576	I	56.9	Low	68.5	Low	4 Å²	4	37.5 Å²	37.5	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	134.2	171	-64	159.7	0	0	0	108.7	W321 L351 I601 K602 G603 V605	W321-I576 HydrophobicContact CD2-CD1 3.7Å; W321-I576 HydrophobicContact CE3-CD1 3.36Å; W321-I576 HydrophobicContact CE3-CG1 3.86Å; W321-I576 HydrophobicContact CE3-CG2 4.29Å; W321-I576 HydrophobicContact CG-CD1 4.23Å; W321-I576 HydrophobicContact CH2-CB 4.47Å; W321-I576 HydrophobicContact CH2-CD1 4.43Å; W321-I576 HydrophobicContact CH2-CG1 4.34Å; W321-I576 HydrophobicContact CH2-CG2 3.33Å; W321-I576 HydrophobicContact CZ2-CG2 3.75Å; W321-I576 HydrophobicContact CZ3-CB 4.33Å; W321-I576 HydrophobicContact CZ3-CD1 3.76Å; W321-I576 HydrophobicContact CZ3-CG1 3.72Å; W321-I576 HydrophobicContact CZ3-CG2 3.63Å; L351-I576 HydrophobicContact CD1-CG1 4.44Å; I576-I601 CarbonylContact O-C 3.55Å; I576-I601 WeakPolarHBondContact O-CA 3.42Å; I576-K602 PolarHBondContact O-N 2.97Å; I576-G603 PolarHBondContact N-O 3.06Å; I576-G603 PolarHBondContact O-N 3.47Å; I576-V605 HydrophobicContact CD1-CG2 3.63Å; I576-V605 HydrophobicContact CG1-CG2 4.01Å
577	P	47.2	Very low	68.7	Low	77 Å²	77	37.3 Å²	37.3	50%	0.5	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	cis	-104.7	32.2	3.5	41.5	-35	0	0	0	113	L351 T600	L351-P577 VanDerWaalsContact CD2-C 3.41Å; L351-P577 WeakPolarHBondContact CD2-O 3.44Å; P577-T600 WeakPolarHBondContact CD-O 3.26Å
578	C	55.9	Low	68.8	Low	17 Å²	17	36.3 Å²	36.3	12%	0.115	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-1.1	-174.2	67.9	0	0	0	0	115.5	F575 H580 C594 C597	F575-C578 PolarHBondContact O-N 2.84Å; F575-C578 VanDerWaalsContact O-N 3.13Å; C578-H580 PolarHBondContact O-N 3.43Å; C578-H580 PolarHBondContact O-ND1 2.85Å; C578-C594 VanDerWaalsContact SG-SG 3.61Å; C578-C597 VanDerWaalsContact CB-SG 3.52Å
579	G	51.6	Low	68.6	Low	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.165	C	C	.	.			trans	73.9	-23.8	173.7	0	0	0	0	0	116.4	L351 V574 F575 L581	L351-G579 WeakPolarHBondContact O-CA 3.2Å; V574-G579 WeakPolarHBondContact CG1-O 3.31Å; F575-G579 PolarHBondContact O-N 3.34Å; G579-L581 PolarHBondContact O-N 3.46Å
580	H	64	Low	68.7	Low	37 Å²	37	31.7 Å²	31.7	17%	0.171	17%	0.174	C	C	.	.			trans	-60.1	125.9	-171.6	-69.3	71	0	0	0	113.2	F575 C578 V582 I596	F575-H580 PolarHBondContact N-O 2.93Å; F575-H580 VanDerWaalsContact N-O 3.17Å; C578-H580 PolarHBondContact O-N 3.43Å; C578-H580 PolarHBondContact O-ND1 2.85Å; H580-V582 HydrophobicContact CB-CG2 3.54Å; H580-I596 VanDerWaalsContact CD2-CB 3.49Å; H580-I596 WeakPolarHBondContact CD2-CB 3.26Å; H580-I596 WeakPolarHBondContact NE2-CG2 3.43Å
581	L	70.3	Confident	68.7	Low	57 Å²	57	27.5 Å²	27.5	30%	0.298	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	96.9	173	175	54.8	0	0	0	110	V571 I573 V574 G579 T607 L609	V571-L581 HydrophobicContact CB-CD1 3.82Å; V571-L581 HydrophobicContact CB-CG 3.98Å; V571-L581 HydrophobicContact CG2-CD1 3.97Å; V571-L581 HydrophobicContact CG2-CD2 4.04Å; V571-L581 HydrophobicContact CG2-CG 3.71Å; I573-L581 WeakPolarHBondContact O-CD1 3.34Å; V574-L581 HydrophobicContact CG2-CB 3.99Å; V574-L581 HydrophobicContact CG2-CD1 4.3Å; G579-L581 PolarHBondContact O-N 3.46Å; L581-T607 WeakPolarHBondContact CD1-OG1 3.32Å; L581-L609 HydrophobicContact CD2-CD2 4.23Å
582	V	75.4	Confident	68.3	Low	4 Å²	4	34.9 Å²	34.9	2%	0.024	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	-23.4	-164.3	-162.4	0	0	0	0	113.9	K564 F575 H580 P595 I596	K564-V582 HydrophobicContact CB-CG1 3.97Å; K564-V582 HydrophobicContact CG-CG1 3.53Å; K564-V582 PolarHBondContact N-O 2.93Å; F575-V582 HydrophobicContact CD2-CG2 4.39Å; F575-V582 HydrophobicContact CE2-CB 4.31Å; F575-V582 HydrophobicContact CE2-CG2 4.44Å; H580-V582 HydrophobicContact CB-CG2 3.54Å; V582-P595 HydrophobicContact CG1-CB 4.27Å; V582-P595 HydrophobicContact CG1-CG 4.29Å; V582-I596 HydrophobicContact CG1-CD1 4.11Å; V582-I596 HydrophobicContact CG1-CG1 3.96Å; V582-I596 HydrophobicContact CG2-CG1 3.83Å
583	V	74.6	Confident	68.2	Low	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	162.1	-167.3	-59.3	0	0	0	0	114.2	C563 V565 S572 I573 F575 C587 A588 L591	C563-V583 VanDerWaalsContact SG-CA 3.52Å; V565-V583 HydrophobicContact CB-CG1 4.36Å; V565-V583 HydrophobicContact CG2-CG1 3.69Å; S572-V583 PolarHBondContact N-O 3.11Å; I573-V583 HydrophobicContact CB-CG2 4.03Å; I573-V583 HydrophobicContact CG2-CG2 4.42Å; I573-V583 PolarHBondContact N-O 3.49Å; F575-V583 HydrophobicContact CE1-CG2 4.19Å; F575-V583 HydrophobicContact CE2-CG1 4.4Å; F575-V583 HydrophobicContact CE2-CG2 3.95Å; F575-V583 HydrophobicContact CZ-CG1 4.36Å; F575-V583 HydrophobicContact CZ-CG2 3.44Å; F575-V583 VanDerWaalsContact CZ-CG2 3.44Å; V583-C587 HydrophobicContact CB-CB 4.17Å; V583-A588 HydrophobicContact CG2-CB 3.75Å; V583-L591 HydrophobicContact CG1-CD1 3.92Å
584	C	78.1	Confident	67.8	Low	2 Å²	2	37.4 Å²	37.4	1%	0.014	19%	0.19	C	C	.	.			trans	-81.1	164.8	169.6	76.1	0	0	0	0	112	C563 K569 E570 S572 E586 C587 A588	C563-C584 HydrophobicContact CB-CB 4Å; C563-C584 PolarHBondContact SG-N 2.72Å; K569-C584 HydrophobicContact CB-CB 3.69Å; K569-C584 HydrophobicContact CD-CB 4.49Å; E570-C584 WeakPolarHBondContact O-CA 3.41Å; E570-C584 WeakPolarHBondContact O-CB 3.37Å; S572-C584 WeakPolarHBondContact OG-CA 3.3Å; C584-E586 PolarHBondContact O-N 3.11Å; C584-E586 VanDerWaalsContact O-N 3.13Å; C584-E586 PolarHBondContact SG-OE2 2.97Å; C584-C587 PolarHBondContact O-N 3.18Å; C584-C587 VanDerWaalsContact SG-SG 3.69Å; C584-A588 PolarHBondContact O-N 3.14Å
585	K	74.3	Confident	67.5	Low	88 Å²	88	38.7 Å²	38.7	38%	0.383	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-26.5	-177.7	77.3	173.6	-168.5	178.6	0	114.8	S572 I573 P589	S572-K585 PolarHBondContact OG-N 3.25Å; I573-K585 HydrophobicContact CD1-CB 4.11Å; I573-K585 HydrophobicContact CG1-CB 4.33Å; K585-P589 VanDerWaalsContact O-CD 3.23Å; K585-P589 WeakPolarHBondContact O-CD 3.28Å
586	E	76.3	Confident	67.4	Low	87 Å²	87	40.4 Å²	40.4	41%	0.407	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-26.1	-178.6	-59	89.1	161.6	0	0	113.3	K569 C584	K569-E586 WeakPolarHBondContact CD-OE2 3.46Å; K569-E586 IonicContact NZ-OE1 3.44Å; K569-E586 PolarHBondContact NZ-OE1 3.2Å; K569-E586 IonicContact NZ-OE2 3.37Å; C584-E586 PolarHBondContact O-N 3.11Å; C584-E586 VanDerWaalsContact O-N 3.13Å; C584-E586 PolarHBondContact SG-OE2 2.97Å
587	C	77	Confident	67.1	Low	19 Å²	19	42.8 Å²	42.8	13%	0.128	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-34.2	179.1	-69.5	0	0	0	0	112.7	V565 V583 C584 P589 S590	V565-C587 HydrophobicContact CB-CB 3.91Å; V565-C587 HydrophobicContact CG1-CB 3.94Å; V565-C587 HydrophobicContact CG2-CB 4.47Å; V583-C587 HydrophobicContact CB-CB 4.17Å; C584-C587 PolarHBondContact O-N 3.18Å; C584-C587 VanDerWaalsContact SG-SG 3.69Å; C587-P589 VanDerWaalsContact C-CD 3.46Å; C587-S590 PolarHBondContact O-N 3.5Å; C587-S590 VanDerWaalsContact O-N 3.14Å
588	A	75.4	Confident	67.7	Low	2 Å²	2	43.9 Å²	43.9	2%	0.017	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-54.7	-39.9	-177.9	0	0	0	0	0	115.6	I573 F575 V583 C584 S590 L591 T604	I573-A588 HydrophobicContact CB-CB 4.2Å; I573-A588 HydrophobicContact CG1-CB 3.94Å; I573-A588 HydrophobicContact CG2-CB 3.82Å; F575-A588 HydrophobicContact CE1-CB 4.06Å; F575-A588 HydrophobicContact CZ-CB 4.44Å; V583-A588 HydrophobicContact CG2-CB 3.75Å; C584-A588 PolarHBondContact O-N 3.14Å; A588-S590 PolarHBondContact O-N 3.24Å; A588-L591 PolarHBondContact O-N 3.33Å; A588-L591 VanDerWaalsContact O-N 3.14Å; A588-T604 HydrophobicContact CB-CG2 4.13Å
589	P	69.4	Low	67.4	Low	25 Å²	25	44.6 Å²	44.6	16%	0.162	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-66.8	-7.3	179.5	-22.1	35	0	0	0	115	R292 K585 C587	R292-P589 PolarHBondContact NH1-O 3.08Å; R292-P589 VanDerWaalsContact NH1-O 3.15Å; K585-P589 VanDerWaalsContact O-CD 3.23Å; K585-P589 WeakPolarHBondContact O-CD 3.28Å; C587-P589 VanDerWaalsContact C-CD 3.46Å
590	S	76.4	Confident	67.7	Low	83 Å²	83	48.2 Å²	48.2	58%	0.58	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-105.1	7.1	177	-61.8	0	0	0	0	113.1	R292 C587 A588	R292-S590 PolarHBondContact NH1-OG 3.24Å; C587-S590 PolarHBondContact O-N 3.5Å; C587-S590 VanDerWaalsContact O-N 3.14Å; A588-S590 PolarHBondContact O-N 3.24Å
591	L	71.9	Confident	67.7	Low	37 Å²	37	46.4 Å²	46.4	19%	0.194	24%	0.242	C	C	.	.			trans	-115.4	126.2	-179.8	-67.3	172.3	0	0	0	112	R306 V565 F575 V583 A588 P595 I601	R306-L591 PolarHBondContact NH1-O 3.37Å; R306-L591 PolarHBondContact NH2-O 3.03Å; V565-L591 HydrophobicContact CG2-CD1 4.09Å; F575-L591 HydrophobicContact CE2-CD1 4.32Å; F575-L591 HydrophobicContact CZ-CB 4.44Å; F575-L591 HydrophobicContact CZ-CD1 3.71Å; V583-L591 HydrophobicContact CG1-CD1 3.92Å; A588-L591 PolarHBondContact O-N 3.33Å; A588-L591 VanDerWaalsContact O-N 3.14Å; L591-P595 HydrophobicContact CD1-CG 3.68Å; L591-P595 HydrophobicContact CD2-CG 4.43Å; L591-I601 HydrophobicContact CB-CD1 3.81Å
592	R	67	Low	67.3	Low	164 Å²	164	47.6 Å²	47.6	62%	0.619	25%	0.245	S	C	*	.	S	Bend	trans	-94.9	-30.5	170.9	-73	-174	175.2	177.9	-0.7	113.7	N293 I601	N293-R592 PolarHBondContact OD1-NH2 3.28Å; R592-I601 PolarHBondContact O-N 3.14Å
593	K	66.1	Low	66.7	Low	79 Å²	79	47.5 Å²	47.5	34%	0.343	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-120.5	143.9	-179.1	-69.6	172	-173.3	165.5	0	109.3	E439 R598 G599 I601	E439-K593 IonicContact OE1-NZ 3.77Å; E439-K593 PolarHBondContact OE1-NZ 3.14Å; E439-K593 IonicContact OE2-NZ 2.86Å; E439-K593 PolarHBondContact OE2-NZ 3.3Å; K593-R598 WeakPolarHBondContact CB-O 3.5Å; K593-G599 WeakPolarHBondContact CA-O 3.32Å; K593-I601 VanDerWaalsContact C-CD1 3.42Å; K593-I601 WeakPolarHBondContact O-CD1 3.47Å
594	C	62.5	Low	66.5	Low	2 Å²	2	48.2 Å²	48.2	1%	0.014	25%	0.249	C	C	.	.			trans	-64.2	132.3	-179.3	-175.6	0	0	0	0	110.8	C578 I596 R598 G599 I601	C578-C594 VanDerWaalsContact SG-SG 3.61Å; C594-I596 PolarHBondContact O-N 3.16Å; C594-I596 VanDerWaalsContact O-N 3.15Å; C594-R598 WeakPolarHBondContact O-CA 3.31Å; C594-R598 PolarHBondContact O-N 2.83Å; C594-G599 PolarHBondContact N-O 2.97Å; C594-I601 HydrophobicContact CB-CG1 4.46Å
595	P	64.2	Low	65.9	Low	28 Å²	28	48.7 Å²	48.7	18%	0.182	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.3	-178.9	-21.9	33.1	0	0	0	115.1	M458 F575 V582 L591	M458-P595 HydrophobicContact CG-CB 3.79Å; M458-P595 WeakPolarHBondContact CG-O 3.46Å; M458-P595 HydrophobicContact SD-CB 3.62Å; F575-P595 HydrophobicContact CE2-CG 4.44Å; V582-P595 HydrophobicContact CG1-CB 4.27Å; V582-P595 HydrophobicContact CG1-CG 4.29Å; L591-P595 HydrophobicContact CD1-CG 3.68Å; L591-P595 HydrophobicContact CD2-CG 4.43Å
596	I	60.7	Low	65.5	Low	37 Å²	37	48.3 Å²	48.3	19%	0.19	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-76.4	179	-51.6	-59.3	0	0	0	109.8	M458 Y539 H580 V582 C594 R598	M458-I596 HydrophobicContact CG-CD1 4.46Å; Y539-I596 HydrophobicContact CD1-CD1 4.16Å; Y539-I596 HydrophobicContact CD1-CG2 4.23Å; Y539-I596 HydrophobicContact CE1-CD1 4.21Å; Y539-I596 HydrophobicContact CG-CD1 4.45Å; H580-I596 VanDerWaalsContact CD2-CB 3.49Å; H580-I596 WeakPolarHBondContact CD2-CB 3.26Å; H580-I596 WeakPolarHBondContact NE2-CG2 3.43Å; V582-I596 HydrophobicContact CG1-CD1 4.11Å; V582-I596 HydrophobicContact CG1-CG1 3.96Å; V582-I596 HydrophobicContact CG2-CG1 3.83Å; C594-I596 PolarHBondContact O-N 3.16Å; C594-I596 VanDerWaalsContact O-N 3.15Å; I596-R598 VanDerWaalsContact C-N 3.31Å; I596-R598 PolarHBondContact O-N 2.62Å
597	C	51.3	Low	64.7	Low	53 Å²	53	45.9 Å²	45.9	36%	0.358	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	3.6	-174.7	66.5	0	0	0	0	115.8	C578 G599	C578-C597 VanDerWaalsContact CB-SG 3.52Å; C597-G599 PolarHBondContact O-N 3.11Å
598	R	58.9	Low	63.6	Low	101 Å²	101	52.5 Å²	52.5	38%	0.381	27%	0.266	S	S	.	.			trans	57.2	-4.5	-177	-50	-170.7	-164.1	96.5	8.3	117.1	E361 K455 K593 C594 I596	E361-R598 IonicContact OE1-NH1 2.92Å; E361-R598 PolarHBondContact OE1-NH1 2.85Å; K455-R598 PolarHBondContact O-NH2 2.89Å; K593-R598 WeakPolarHBondContact CB-O 3.5Å; C594-R598 WeakPolarHBondContact O-CA 3.31Å; C594-R598 PolarHBondContact O-N 2.83Å; I596-R598 VanDerWaalsContact C-N 3.31Å; I596-R598 PolarHBondContact O-N 2.62Å
599	G	50	Low	62.4	Low	31 Å²	31	56.1 Å²	56.1	32%	0.32	28%	0.284	S	S	.	.			trans	-59.4	145.5	177.6	0	0	0	0	0	113.6	K593 C594 C597 I601	K593-G599 WeakPolarHBondContact CA-O 3.32Å; C594-G599 PolarHBondContact N-O 2.97Å; C597-G599 PolarHBondContact O-N 3.11Å; G599-I601 PolarHBondContact O-N 3.29Å
600	T	58.2	Low	60.7	Low	76 Å²	76	62.9 Å²	62.9	47%	0.466	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-63.8	128.5	-178.2	-55.6	0	0	0	0	111.8	P577 K602	P577-T600 WeakPolarHBondContact CD-O 3.26Å; T600-K602 PolarHBondContact O-N 3.18Å
601	I	64.6	Low	59.9	Low	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.32	C	S	.	.			trans	-85.7	101.1	-178.7	-59.5	160.7	0	0	0	109	R306 F575 I576 L591 R592 K593 C594 G599 G603 T604	R306-I601 VanDerWaalsContact CD-O 3.3Å; R306-I601 WeakPolarHBondContact CD-O 3.33Å; R306-I601 PolarHBondContact NH1-O 3.16Å; F575-I601 HydrophobicContact CB-CG1 4.25Å; F575-I601 HydrophobicContact CB-CG2 4.37Å; F575-I601 HydrophobicContact CD1-CB 4.28Å; F575-I601 HydrophobicContact CD1-CD1 3.63Å; F575-I601 HydrophobicContact CD1-CG1 3.79Å; F575-I601 HydrophobicContact CD1-CG2 3.45Å; F575-I601 VanDerWaalsContact CD1-CG2 3.45Å; F575-I601 HydrophobicContact CD2-CD1 4.28Å; F575-I601 HydrophobicContact CE1-CD1 3.51Å; F575-I601 HydrophobicContact CE1-CG1 4.21Å; F575-I601 HydrophobicContact CE1-CG2 4.06Å; F575-I601 HydrophobicContact CE2-CD1 4.17Å; F575-I601 HydrophobicContact CG-CD1 4.01Å; F575-I601 HydrophobicContact CG-CG1 3.95Å; F575-I601 HydrophobicContact CG-CG2 4.22Å; F575-I601 HydrophobicContact CZ-CD1 3.78Å; I576-I601 CarbonylContact O-C 3.55Å; I576-I601 WeakPolarHBondContact O-CA 3.42Å; L591-I601 HydrophobicContact CB-CD1 3.81Å; R592-I601 PolarHBondContact O-N 3.14Å; K593-I601 VanDerWaalsContact C-CD1 3.42Å; K593-I601 WeakPolarHBondContact O-CD1 3.47Å; C594-I601 HydrophobicContact CB-CG1 4.46Å; G599-I601 PolarHBondContact O-N 3.29Å; I601-G603 VanDerWaalsContact CG2-O 3.31Å; I601-G603 WeakPolarHBondContact CG2-O 3.41Å; I601-T604 HydrophobicContact CG2-CG2 4.34Å
602	K	60.3	Low	59.2	Low	82 Å²	82	63.2 Å²	63.2	36%	0.357	33%	0.327	S	S	.	.			trans	-80.1	-16.9	172.2	-69.5	-156.3	170.7	-167.1	0	113.5	R306 C307 E309 I576 T600	R306-K602 WeakPolarHBondContact CG-O 3.39Å; R306-K602 PolarHBondContact N-O 2.98Å; C307-K602 HydrophobicContact CB-CD 4.12Å; C307-K602 HydrophobicContact CB-CG 3.99Å; E309-K602 IonicContact OE1-NZ 2.91Å; E309-K602 PolarHBondContact OE1-NZ 3.44Å; I576-K602 PolarHBondContact O-N 2.97Å; T600-K602 PolarHBondContact O-N 3.18Å
603	G	63	Low	58.8	Low	2 Å²	2	57.6 Å²	57.6	2%	0.021	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	171.9	180	0	0	0	0	0	114.9	G304 I576 I601	G304-G603 WeakPolarHBondContact O-CA 3.3Å; I576-G603 PolarHBondContact N-O 3.06Å; I576-G603 PolarHBondContact O-N 3.47Å; I601-G603 VanDerWaalsContact CG2-O 3.31Å; I601-G603 WeakPolarHBondContact CG2-O 3.41Å
604	T	70.8	Confident	58.4	Low	15 Å²	15	56.4 Å²	56.4	9%	0.092	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	123.5	-177.9	49.9	0	0	0	0	111.3	G304 I573 V574 F575 A588 I601	G304-T604 PolarHBondContact N-O 3.31Å; G304-T604 PolarHBondContact O-N 2.74Å; G304-T604 PolarHBondContact O-OG1 3.07Å; I573-T604 HydrophobicContact CG2-CG2 3.72Å; V574-T604 WeakPolarHBondContact O-CA 3.45Å; F575-T604 HydrophobicContact CD1-CG2 3.92Å; F575-T604 HydrophobicContact CE1-CG2 4Å; A588-T604 HydrophobicContact CB-CG2 4.13Å; I601-T604 HydrophobicContact CG2-CG2 4.34Å
605	V	65.1	Low	58.1	Low	12 Å²	12	59.8 Å²	59.8	7%	0.073	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126.9	174.4	-173.2	0	0	0	0	108.5	F322 L348 I573 V574 I576	F322-V605 HydrophobicContact CE1-CG2 4.12Å; L348-V605 HydrophobicContact CD1-CG1 4.39Å; L348-V605 HydrophobicContact CD1-CG2 4.29Å; L348-V605 HydrophobicContact CD2-CG1 4.4Å; I573-V605 WeakPolarHBondContact CA-O 3.28Å; V574-V605 HydrophobicContact CB-CB 4.36Å; V574-V605 PolarHBondContact N-O 2.9Å; V574-V605 PolarHBondContact O-N 3.09Å; I576-V605 HydrophobicContact CD1-CG2 3.63Å; I576-V605 HydrophobicContact CG1-CG2 4.01Å
606	R	66.1	Low	57.7	Low	79 Å²	79	61.9 Å²	61.9	30%	0.298	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	124.3	175.4	-175	170	171.2	-166.2	-13.4	110.6	D302 S572 I573	D302-R606 WeakPolarHBondContact OD2-CD 3.39Å; D302-R606 IonicContact OD2-CZ 3.63Å; D302-R606 IonicContact OD2-NH1 2.62Å; D302-R606 PolarHBondContact OD2-NH1 3.49Å; S572-R606 WeakPolarHBondContact O-CA 3.32Å; I573-R606 HydrophobicContact CD1-CB 4.24Å
607	T	60.1	Low	57.5	Low	36 Å²	36	63.6 Å²	63.6	22%	0.221	35%	0.347	C	S	.	.			trans	-98.9	154.8	172.5	51.2	0	0	0	0	110.6	S572 V574 L581	S572-T607 WeakPolarHBondContact CA-OG1 3.24Å; S572-T607 PolarHBondContact O-N 3.08Å; S572-T607 PolarHBondContact O-OG1 3.03Å; V574-T607 HydrophobicContact CB-CG2 4.48Å; V574-T607 HydrophobicContact CG2-CG2 3.7Å; L581-T607 WeakPolarHBondContact CD1-OG1 3.32Å
608	F	54.5	Low	58	Low	159 Å²	159	64.5 Å²	64.5	70%	0.697	35%	0.346	S	S	*	.			trans	-121	110.2	167.5	-60.5	-91.2	0	0	0	105.7
609	L	49.5	Very low	57.9	Low	77 Å²	77	61.4 Å²	61.4	40%	0.403	34%	0.344	S	S	.	.			trans	-72.3	141.8	170.3	-65.9	175.6	0	0	0	108.4	R561 V571 L581	R561-L609 HydrophobicContact CG-CD1 4.32Å; V571-L609 HydrophobicContact CG2-CD1 3.91Å; L581-L609 HydrophobicContact CD2-CD2 4.23Å
610	S	32.7	Very low	58.6	Low	168 Å²	168	64.2 Å²	64.2	100%	1.175	35%	0.346	S	S	*	.			trans	-104.7	0	177.1	-54.3	0	0	0	0	111.4

Retrieved 610 of 610 residues in 1015.6 ms (Link to these results)

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