A0A5K4EII4_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A5K4EII4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 653 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	33.4	Very low	44.7	Very low	238 Å²	238	163.3 Å²	163.3	100%	1.172	81%	0.811	S	S	*	*				0	109.1	0	-81.2	173.4	159.2	0	0	108
2	N	35.9	Very low	46.8	Very low	169 Å²	169	151.4 Å²	151.4	90%	0.904	75%	0.754	S	S	*	*			trans	-162.3	82.7	155.8	-96.4	-16.5	0	0	0	105.3	S4	N2-S4 PolarHBondContact O-N 3.4Å; N2-S4 VanDerWaalsContact O-N 3.08Å
3	K	37.1	Very low	49.3	Very low	206 Å²	206	150.5 Å²	150.5	90%	0.896	74%	0.743	S	S	*	*			trans	-59.8	112.2	170	-82.5	179.7	173.8	177.2	0	106.1	V5	K3-V5 PolarHBondContact O-N 2.86Å
4	S	35	Very low	51.5	Low	96 Å²	96	139.9 Å²	139.9	67%	0.671	69%	0.691	S	S	*	*			trans	-57.9	103.7	167.5	67.3	0	0	0	0	107.1	N2 R6	N2-S4 PolarHBondContact O-N 3.4Å; N2-S4 VanDerWaalsContact O-N 3.08Å; S4-R6 VanDerWaalsContact C-N 3.26Å; S4-R6 PolarHBondContact O-N 3.3Å
5	V	43	Very low	53.3	Low	124 Å²	124	139.5 Å²	139.5	75%	0.752	69%	0.687	S	S	*	*			trans	-61.4	101.2	161.1	177.2	0	0	0	0	104.3	K3 N7	K3-V5 PolarHBondContact O-N 2.86Å; V5-N7 VanDerWaalsContact C-N 3.31Å; V5-N7 PolarHBondContact O-N 3.48Å
6	R	39.5	Very low	54.9	Low	223 Å²	223	131.5 Å²	131.5	84%	0.842	65%	0.648	S	S	*	*			trans	-61.8	99.3	174.2	-72.3	-176	-174.6	-179.3	2	106	S4 R8	S4-R6 VanDerWaalsContact C-N 3.26Å; S4-R6 PolarHBondContact O-N 3.3Å; R6-R8 VanDerWaalsContact C-N 3.28Å; R6-R8 PolarHBondContact O-N 2.83Å
7	N	42.3	Very low	56.2	Low	148 Å²	148	127.4 Å²	127.4	79%	0.791	64%	0.635	S	S	*	*			trans	-57.2	94	168.8	-84.8	-11.7	0	0	0	107.7	V5	V5-N7 VanDerWaalsContact C-N 3.31Å; V5-N7 PolarHBondContact O-N 3.48Å
8	R	44.7	Very low	57.5	Low	225 Å²	225	123.1 Å²	123.1	85%	0.849	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-66.6	126.1	162.7	-77.1	-173.5	177	-175.8	-0.4	106	R6 L10	R6-R8 VanDerWaalsContact C-N 3.28Å; R6-R8 PolarHBondContact O-N 2.83Å; R8-L10 PolarHBondContact O-N 3.49Å
9	P	53.5	Low	58.4	Low	100 Å²	100	121.7 Å²	121.7	65%	0.649	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-57.9	129.9	177.7	23.5	-31.6	0	0	0	108.7	L11	P9-L11 PolarHBondContact O-N 2.95Å
10	L	58.9	Low	59.2	Low	158 Å²	158	121.5 Å²	121.5	83%	0.827	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-61.3	120.4	175.5	-74.7	159.9	0	0	0	107.9	R8	R8-L10 PolarHBondContact O-N 3.49Å
11	L	68.6	Low	59.7	Low	109 Å²	109	122.6 Å²	122.6	57%	0.571	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-88.8	127.9	174.9	-71	167.7	0	0	0	108.4	P9 V30	P9-L11 PolarHBondContact O-N 2.95Å; L11-V30 HydrophobicContact CB-CG1 3.91Å; L11-V30 HydrophobicContact CD2-CG1 4.04Å; L11-V30 HydrophobicContact CG-CG1 4.39Å
12	V	70.1	Confident	61.5	Low	21 Å²	21	111.6 Å²	111.6	13%	0.127	56%	0.556	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.4	129.7	179.3	-177.1	0	0	0	0	109.2	V30 S31 C35 D86	V12-V30 CarbonylContact O-C 3.57Å; V12-V30 WeakPolarHBondContact O-CA 3.48Å; V12-S31 WeakPolarHBondContact CA-O 3.44Å; V12-S31 WeakPolarHBondContact CB-O 3.49Å; V12-S31 PolarHBondContact N-O 3.48Å; V12-S31 PolarHBondContact O-N 3.24Å; V12-C35 VanDerWaalsContact CG1-SG 3.56Å; V12-D86 HydrophobicContact CG1-CB 3.78Å; V12-D86 WeakPolarHBondContact CG1-OD1 3.3Å
13	F	79.3	Confident	63.2	Low	139 Å²	139	107.5 Å²	107.5	61%	0.61	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	121.2	175.9	-69.4	-98.7	0	0	0	109.5	V28 V30	F13-V28 HydrophobicContact CB-CG1 4.15Å; F13-V28 HydrophobicContact CD1-CG1 4.14Å; F13-V30 HydrophobicContact CD1-CG2 3.54Å; F13-V30 HydrophobicContact CE1-CG2 3.45Å; F13-V30 VanDerWaalsContact CE1-CG2 3.45Å; F13-V30 HydrophobicContact CG-CG2 4.35Å; F13-V30 HydrophobicContact CZ-CG2 4.21Å
14	C	80.1	Confident	65	Low	2 Å²	2	107.4 Å²	107.4	1%	0.014	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.8	-175.1	-50.5	0	0	0	0	111.2	V28 C29 C35 C55	C14-V28 CarbonylContact O-C 3.52Å; C14-V28 VanDerWaalsContact O-CA 3.22Å; C14-V28 WeakPolarHBondContact O-CA 3.33Å; C14-C29 PolarHBondContact N-O 3.04Å; C14-C29 PolarHBondContact O-N 3.28Å; C14-C35 WeakPolarHBondContact CA-SG 3.5Å; C14-C35 HydrophobicContact CB-CB 3.43Å; C14-C35 VanDerWaalsContact CB-CB 3.43Å; C14-C35 WeakPolarHBondContact CB-SG 3.35Å; C14-C35 WeakPolarHBondContact SG-CA 3.17Å; C14-C35 WeakPolarHBondContact SG-CB 3.49Å; C14-C35 CovalentContact SG-SG 2Å; C14-C35 PolarHBondContact SG-SG 3.13Å; C14-C55 HydrophobicContact CB-CB 4.49Å; C14-C55 WeakPolarHBondContact CB-SG 2.91Å; C14-C55 PolarHBondContact SG-SG 2.85Å
15	H	79	Confident	66.9	Low	135 Å²	135	106.4 Å²	106.4	63%	0.625	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	140.4	171.6	-80	-80.8	0	0	0	111.4	S27 V28 Y53	H15-S27 CarbonylContact C-O 3.6Å; H15-S27 WeakPolarHBondContact CA-O 3.34Å; H15-S27 PolarHBondContact ND1-O 3.24Å; H15-V28 VanDerWaalsContact CE1-CG2 3.46Å; H15-V28 WeakPolarHBondContact CE1-CG2 3.24Å; H15-Y53 WeakPolarHBondContact O-CB 3.28Å
16	C	78.3	Confident	68.5	Low	11 Å²	11	108.5 Å²	108.5	7%	0.074	52%	0.522	C	S	.	.			trans	-111.9	134.6	174.9	-75.8	0	0	0	0	111.7	C22 S27 C29 Y53 G54	C16-C22 HydrophobicContact CB-CB 3.7Å; C16-C22 WeakPolarHBondContact CB-SG 3.45Å; C16-C22 VanDerWaalsContact SG-CA 3.57Å; C16-C22 WeakPolarHBondContact SG-CB 2.99Å; C16-C22 CovalentContact SG-SG 2.01Å; C16-C22 PolarHBondContact SG-SG 3.32Å; C16-S27 PolarHBondContact N-O 2.92Å; C16-C29 VanDerWaalsContact SG-SG 3.67Å; C16-Y53 WeakPolarHBondContact CA-O 3.43Å; C16-G54 WeakPolarHBondContact SG-CA 3.43Å
17	S	77.6	Confident	70.5	Confident	61 Å²	61	101 Å²	101	43%	0.427	50%	0.504	S	S	.	.	B	Isolated β-bridge	trans	-147.4	130.1	164.8	-173.7	0	0	0	0	108.5	S52 Y53	S17-S52 CarbonylContact O-C 3.55Å; S17-S52 VanDerWaalsContact O-CA 3.22Å; S17-S52 WeakPolarHBondContact O-CA 3.16Å; S17-Y53 PolarHBondContact N-O 3.36Å; S17-Y53 PolarHBondContact O-N 3.31Å
18	P	78.2	Confident	72.3	Confident	51 Å²	51	96.2 Å²	96.2	33%	0.331	48%	0.48	S	S	.	.	S	Bend	cis	-66.4	157.2	-8.1	25.2	-31	0	0	0	113.2	N20 R21	P18-N20 WeakPolarHBondContact CB-OD1 3.3Å; P18-N20 WeakPolarHBondContact CG-OD1 3.13Å; P18-N20 PolarHBondContact O-N 3.11Å; P18-N20 PolarHBondContact O-OD1 3.14Å; P18-R21 HydrophobicContact CG-CG 4.25Å; P18-R21 WeakPolarHBondContact O-CB 3.3Å; P18-R21 PolarHBondContact O-N 3.45Å
19	L	75.1	Confident	74	Confident	97 Å²	97	86 Å²	86	51%	0.508	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-52.2	-33	-172.7	-76.5	165.9	0	0	0	114.2	R21 C22 S25 S27	L19-R21 PolarHBondContact O-N 3.3Å; L19-C22 PolarHBondContact O-N 3.39Å; L19-S25 CarbonylContact O-C 3.56Å; L19-S25 VanDerWaalsContact O-CA 3.29Å; L19-S25 WeakPolarHBondContact O-CA 3.44Å; L19-S27 VanDerWaalsContact CD2-CA 3.5Å
20	N	74.1	Confident	75.1	Confident	116 Å²	116	84.9 Å²	84.9	62%	0.62	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-70.2	-8.1	-177.6	63.9	-13.2	0	0	0	114.6	P18	P18-N20 WeakPolarHBondContact CB-OD1 3.3Å; P18-N20 WeakPolarHBondContact CG-OD1 3.13Å; P18-N20 PolarHBondContact O-N 3.11Å; P18-N20 PolarHBondContact O-OD1 3.14Å
21	R	70	Confident	75.8	Confident	145 Å²	145	77.5 Å²	77.5	55%	0.547	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-77.2	-22.7	175.4	-67.2	-65.9	-167	176.8	1.7	113.4	P18 L19	P18-R21 HydrophobicContact CG-CG 4.25Å; P18-R21 WeakPolarHBondContact O-CB 3.3Å; P18-R21 PolarHBondContact O-N 3.45Å; L19-R21 PolarHBondContact O-N 3.3Å
22	C	72.3	Confident	75.8	Confident	7 Å²	7	75 Å²	75	5%	0.047	39%	0.387	C	S	.	.	S	Bend	trans	-86.7	147.9	178.2	-100	0	0	0	0	111.7	C16 L19 Y24 S25 R26 C29	C16-C22 HydrophobicContact CB-CB 3.7Å; C16-C22 WeakPolarHBondContact CB-SG 3.45Å; C16-C22 VanDerWaalsContact SG-CA 3.57Å; C16-C22 WeakPolarHBondContact SG-CB 2.99Å; C16-C22 CovalentContact SG-SG 2.01Å; C16-C22 PolarHBondContact SG-SG 3.32Å; L19-C22 PolarHBondContact O-N 3.39Å; C22-Y24 PolarHBondContact O-N 3.41Å; C22-S25 PolarHBondContact O-N 3.09Å; C22-S25 VanDerWaalsContact O-N 3.08Å; C22-R26 WeakPolarHBondContact CB-O 3.36Å; C22-R26 PolarHBondContact SG-O 2.96Å; C22-R26 VanDerWaalsContact SG-O 3.34Å; C22-C29 HydrophobicContact CB-CB 4.4Å; C22-C29 WeakPolarHBondContact SG-CB 3.34Å; C22-C29 PolarHBondContact SG-SG 3.32Å
23	P	70.3	Confident	75.7	Confident	83 Å²	83	76.7 Å²	76.7	54%	0.539	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-52	131.6	166.7	-22.8	32.5	0	0	0	110.6	S25	P23-S25 PolarHBondContact O-N 2.97Å
24	Y	75.1	Confident	75.4	Confident	204 Å²	204	70.5 Å²	70.5	80%	0.8	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	62.7	23	-179.4	-43.6	-78.6	0	0	0	115.3	C22 R26	C22-Y24 PolarHBondContact O-N 3.41Å; Y24-R26 PolarHBondContact O-N 3.47Å; Y24-R26 VanDerWaalsContact O-N 3.13Å
25	S	75.6	Confident	75.2	Confident	76 Å²	76	70.5 Å²	70.5	53%	0.531	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	56.4	29.9	175.6	-52.4	0	0	0	0	114.6	L19 C22 P23	L19-S25 CarbonylContact O-C 3.56Å; L19-S25 VanDerWaalsContact O-CA 3.29Å; L19-S25 WeakPolarHBondContact O-CA 3.44Å; C22-S25 PolarHBondContact O-N 3.09Å; C22-S25 VanDerWaalsContact O-N 3.08Å; P23-S25 PolarHBondContact O-N 2.97Å
26	R	76.3	Confident	75	Confident	168 Å²	168	66 Å²	66	63%	0.634	35%	0.351	S	S	*	.			trans	-81.2	151.1	177.4	-66	-175.3	178.5	-178.1	-0.2	110.9	C22 Y24 V28	C22-R26 WeakPolarHBondContact CB-O 3.36Å; C22-R26 PolarHBondContact SG-O 2.96Å; C22-R26 VanDerWaalsContact SG-O 3.34Å; Y24-R26 PolarHBondContact O-N 3.47Å; Y24-R26 VanDerWaalsContact O-N 3.13Å; R26-V28 WeakPolarHBondContact CB-O 3.19Å; R26-V28 PolarHBondContact O-N 2.8Å
27	S	80.9	Confident	74.8	Confident	66 Å²	66	66.5 Å²	66.5	46%	0.462	35%	0.353	S	S	.	.	S	Bend	trans	-71.1	-14.1	173.3	55.8	0	0	0	0	113.6	H15 C16 L19	H15-S27 CarbonylContact C-O 3.6Å; H15-S27 WeakPolarHBondContact CA-O 3.34Å; H15-S27 PolarHBondContact ND1-O 3.24Å; C16-S27 PolarHBondContact N-O 2.92Å; L19-S27 VanDerWaalsContact CD2-CA 3.5Å
28	V	81.6	Confident	74.5	Confident	47 Å²	47	64.3 Å²	64.3	29%	0.285	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	129.7	-179.9	-175.7	0	0	0	0	109.3	F13 C14 H15 R26	F13-V28 HydrophobicContact CB-CG1 4.15Å; F13-V28 HydrophobicContact CD1-CG1 4.14Å; C14-V28 CarbonylContact O-C 3.52Å; C14-V28 VanDerWaalsContact O-CA 3.22Å; C14-V28 WeakPolarHBondContact O-CA 3.33Å; H15-V28 VanDerWaalsContact CE1-CG2 3.46Å; H15-V28 WeakPolarHBondContact CE1-CG2 3.24Å; R26-V28 WeakPolarHBondContact CB-O 3.19Å; R26-V28 PolarHBondContact O-N 2.8Å
29	C	78.8	Confident	74	Confident	10 Å²	10	62.4 Å²	62.4	7%	0.068	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	163.1	167.7	54.9	0	0	0	0	110.5	C14 C16 C22 C55	C14-C29 PolarHBondContact N-O 3.04Å; C14-C29 PolarHBondContact O-N 3.28Å; C16-C29 VanDerWaalsContact SG-SG 3.67Å; C22-C29 HydrophobicContact CB-CB 4.4Å; C22-C29 WeakPolarHBondContact SG-CB 3.34Å; C22-C29 PolarHBondContact SG-SG 3.32Å; C29-C55 HydrophobicContact CB-CB 3.93Å; C29-C55 WeakPolarHBondContact CB-SG 2.7Å; C29-C55 PolarHBondContact O-SG 3.21Å; C29-C55 WeakPolarHBondContact SG-CB 3.42Å; C29-C55 PolarHBondContact SG-N 2.98Å; C29-C55 CovalentContact SG-SG 2.01Å; C29-C55 PolarHBondContact SG-SG 3.25Å
30	V	77.6	Confident	73.7	Confident	76 Å²	76	59.6 Å²	59.6	46%	0.461	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.6	178.2	-173.2	0	0	0	0	108.7	L11 V12 F13	L11-V30 HydrophobicContact CB-CG1 3.91Å; L11-V30 HydrophobicContact CD2-CG1 4.04Å; L11-V30 HydrophobicContact CG-CG1 4.39Å; V12-V30 CarbonylContact O-C 3.57Å; V12-V30 WeakPolarHBondContact O-CA 3.48Å; F13-V30 HydrophobicContact CD1-CG2 3.54Å; F13-V30 HydrophobicContact CE1-CG2 3.45Å; F13-V30 VanDerWaalsContact CE1-CG2 3.45Å; F13-V30 HydrophobicContact CG-CG2 4.35Å; F13-V30 HydrophobicContact CZ-CG2 4.21Å
31	S	73.4	Confident	73.5	Confident	3 Å²	3	55 Å²	55	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	144.7	179	-174.4	0	0	0	0	110.6	V12 T33 G34 F56	V12-S31 WeakPolarHBondContact CA-O 3.44Å; V12-S31 WeakPolarHBondContact CB-O 3.49Å; V12-S31 PolarHBondContact N-O 3.48Å; V12-S31 PolarHBondContact O-N 3.24Å; S31-T33 PolarHBondContact OG-N 3.27Å; S31-T33 PolarHBondContact OG-OG1 3.28Å; S31-G34 PolarHBondContact OG-N 3.26Å; S31-G34 PolarHBondContact OG-O 3.24Å; S31-F56 PolarHBondContact OG-O 2.81Å; S31-F56 VanDerWaalsContact OG-O 3.12Å
32	S	68.2	Low	73.3	Confident	56 Å²	56	49.7 Å²	49.7	39%	0.392	27%	0.266	S	S	.	.	S	Bend	trans	-90.1	-4.9	165.5	39.7	0	0	0	0	112.8	N58	S32-N58 PolarHBondContact OG-ND2 3.25Å; S32-N58 PolarHBondContact OG-OD1 2.88Å
33	T	67.3	Low	73.1	Confident	58 Å²	58	56 Å²	56	36%	0.356	30%	0.299	S	S	.	.	S	Bend	trans	-107.1	-34.7	-176.3	53.5	0	0	0	0	113.3	S31 F56	S31-T33 PolarHBondContact OG-N 3.27Å; S31-T33 PolarHBondContact OG-OG1 3.28Å; T33-F56 VanDerWaalsContact OG1-CB 3.3Å; T33-F56 WeakPolarHBondContact OG1-CB 3.45Å
34	G	73.6	Confident	72.9	Confident	8 Å²	8	55.6 Å²	55.6	8%	0.082	30%	0.298	C	S	.	.			trans	139.8	-178.1	175.1	0	0	0	0	0	114.7	S31 F56	S31-G34 PolarHBondContact OG-N 3.26Å; S31-G34 PolarHBondContact OG-O 3.24Å; G34-F56 WeakPolarHBondContact O-CD2 3.35Å; G34-F56 PolarHBondContact O-N 3.42Å; G34-F56 VanDerWaalsContact O-N 3.13Å
35	C	76.1	Confident	72.4	Confident	2 Å²	2	51 Å²	51	1%	0.014	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	158.4	176.2	-30.9	0	0	0	0	112.7	V12 C14 G54 F56 D86 L87	V12-C35 VanDerWaalsContact CG1-SG 3.56Å; C14-C35 WeakPolarHBondContact CA-SG 3.5Å; C14-C35 HydrophobicContact CB-CB 3.43Å; C14-C35 VanDerWaalsContact CB-CB 3.43Å; C14-C35 WeakPolarHBondContact CB-SG 3.35Å; C14-C35 WeakPolarHBondContact SG-CA 3.17Å; C14-C35 WeakPolarHBondContact SG-CB 3.49Å; C14-C35 CovalentContact SG-SG 2Å; C14-C35 PolarHBondContact SG-SG 3.13Å; C35-G54 CarbonylContact C-O 3.59Å; C35-G54 VanDerWaalsContact CA-O 3.25Å; C35-G54 WeakPolarHBondContact CA-O 3.3Å; C35-G54 WeakPolarHBondContact CB-O 3.2Å; C35-F56 WeakPolarHBondContact O-CE2 3.45Å; C35-D86 CarbonylContact C-O 3.48Å; C35-D86 WeakPolarHBondContact CA-O 3.45Å; C35-D86 WeakPolarHBondContact CB-O 3.29Å; C35-D86 PolarHBondContact N-O 3.47Å; C35-D86 PolarHBondContact SG-O 3.02Å; C35-L87 HydrophobicContact CB-CD2 3.78Å
36	F	74.6	Confident	71.8	Confident	41 Å²	41	50.6 Å²	50.6	18%	0.18	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	156.9	175.7	73	-94	0	0	0	112.4	Y53 G54 F56	F36-Y53 WeakPolarHBondContact O-CA 3.37Å; F36-G54 VanDerWaalsContact CD1-O 3.31Å; F36-G54 WeakPolarHBondContact CD1-O 3.15Å; F36-G54 VanDerWaalsContact CE1-C 3.42Å; F36-G54 PolarHBondContact N-O 2.69Å; F36-G54 PolarHBondContact O-N 3.2Å; F36-G54 VanDerWaalsContact O-N 3.15Å; F36-F56 HydrophobicContact CB-CE1 4.18Å; F36-F56 HydrophobicContact CB-CE2 3.84Å; F36-F56 HydrophobicContact CB-CZ 3.59Å; F36-F56 HydrophobicContact CD1-CE1 4.47Å; F36-F56 HydrophobicContact CG-CZ 4.48Å
37	H	73.9	Confident	71.3	Confident	22 Å²	22	50.5 Å²	50.5	10%	0.102	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	131.1	167.9	167.9	-125.7	0	0	0	108.1	E51 S52 Y53 C88 N89	H37-E51 IonicContact CD2-OE1 3.82Å; H37-E51 IonicContact CE1-OE1 3.45Å; H37-E51 PolarHBondContact CE1-OE1 2.94Å; H37-E51 WeakPolarHBondContact NE2-CG 3.24Å; H37-E51 IonicContact NE2-OE1 2.7Å; H37-E51 PolarHBondContact NE2-OE1 3.37Å; H37-S52 CarbonylContact C-O 3.46Å; H37-S52 WeakPolarHBondContact CA-O 3.46Å; H37-Y53 HydrophobicContact CB-CD1 4.04Å; H37-Y53 HydrophobicContact CB-CE1 4.19Å; H37-Y53 AromaticContact CD2-CD1 3.56Å; H37-Y53 AromaticContact CD2-CE1 3.1Å; H37-Y53 WeakPolarHBondContact CD2-CE1 3.47Å; H37-Y53 AromaticContact CD2-CE2 3.99Å; H37-Y53 AromaticContact CD2-CZ 3.35Å; H37-Y53 AromaticContact CG-CE1 3.78Å; H37-Y53 AromaticContact NE2-CE1 3.69Å; H37-Y53 AromaticContact NE2-CZ 3.56Å; H37-Y53 PolarHBondContact NE2-OH 2.79Å; H37-C88 WeakPolarHBondContact CB-O 3.25Å; H37-N89 PolarHBondContact O-ND2 3.3Å
38	S	71.1	Confident	70.8	Confident	15 Å²	15	50 Å²	50	11%	0.105	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	139.1	-175.9	71.4	0	0	0	0	111.3	S52	S38-S52 PolarHBondContact N-O 2.91Å; S38-S52 PolarHBondContact O-N 3.2Å; S38-S52 PolarHBondContact OG-OG 2.97Å
39	L	69.1	Low	70.5	Confident	10 Å²	10	53 Å²	53	5%	0.052	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126.3	175.7	-65.1	164.5	0	0	0	109.9	V48 E51 Q75 L76 L94	L39-V48 HydrophobicContact CD2-CG1 3.77Å; L39-V48 HydrophobicContact CD2-CG2 4.17Å; L39-E51 HydrophobicContact CD2-CB 4.09Å; L39-E51 HydrophobicContact CD2-CG 3.7Å; L39-Q75 WeakPolarHBondContact O-CA 3.45Å; L39-L76 PolarHBondContact O-N 3.46Å; L39-L94 HydrophobicContact CD1-CD1 4.46Å
40	H	68.9	Low	70.3	Confident	39 Å²	39	56 Å²	56	18%	0.181	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.8	168.9	-173	-110.7	0	0	0	108.7	V48 D49 D50 R74 Q75	H40-V48 CarbonylContact O-C 3.46Å; H40-D49 IonicContact CE1-OD2 3.39Å; H40-D49 PolarHBondContact CE1-OD2 2.77Å; H40-D49 IonicContact ND1-OD2 3.08Å; H40-D49 PolarHBondContact ND1-OD2 2.86Å; H40-D49 VanDerWaalsContact ND1-OD2 3.08Å; H40-D49 PolarHBondContact O-N 2.84Å; H40-D50 HydrophobicContact CB-CB 3.93Å; H40-D50 WeakPolarHBondContact CB-O 3.37Å; H40-D50 PolarHBondContact N-O 2.82Å; H40-D50 PolarHBondContact O-N 3.37Å; H40-R74 WeakPolarHBondContact CA-O 3.47Å; H40-R74 WeakPolarHBondContact NE2-CB 3.31Å; H40-Q75 HydrophobicContact CB-CG 4.49Å
41	L	68	Low	70.3	Confident	19 Å²	19	56.2 Å²	56.2	10%	0.099	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	153.4	-179.1	-60	174	0	0	0	111.2	L45 Y47 V48 R74 L76	L41-L45 HydrophobicContact CB-CD2 3.99Å; L41-L45 HydrophobicContact CD1-CB 4.26Å; L41-L45 HydrophobicContact CD1-CD2 4.1Å; L41-Y47 CarbonylContact C-O 3.54Å; L41-Y47 WeakPolarHBondContact CA-O 3.24Å; L41-V48 HydrophobicContact CD2-CB 4.48Å; L41-V48 HydrophobicContact CD2-CG2 3.81Å; L41-R74 PolarHBondContact N-O 2.81Å; L41-L76 HydrophobicContact CD1-CD1 3.72Å
42	D	66.9	Low	70.5	Confident	34 Å²	34	56.4 Å²	56.4	18%	0.182	30%	0.303	C	S	.	.			trans	-64.8	175.7	170.1	79.3	-15.2	0	0	0	112.4	S44 L45 T46 Y47	D42-S44 VanDerWaalsContact CG-OG 3.24Å; D42-S44 PolarHBondContact O-N 3.36Å; D42-S44 PolarHBondContact OD1-N 3.28Å; D42-S44 PolarHBondContact OD1-OG 3.05Å; D42-S44 PolarHBondContact OD2-OG 2.99Å; D42-L45 PolarHBondContact O-N 2.78Å; D42-L45 PolarHBondContact OD1-N 3.21Å; D42-T46 PolarHBondContact OD1-N 2.68Å; D42-Y47 PolarHBondContact N-O 3.16Å; D42-Y47 PolarHBondContact OD1-N 3.26Å; D42-Y47 WeakPolarHBondContact OD2-CD2 3.32Å
43	L	67.5	Low	71	Confident	139 Å²	139	57.2 Å²	57.2	73%	0.728	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-29	-180	-86.4	168.2	0	0	0	113.9	L45 R74	L43-L45 VanDerWaalsContact C-N 3.26Å; L43-R74 VanDerWaalsContact CG-NH2 3.31Å
44	S	67.4	Low	71.6	Confident	74 Å²	74	54.5 Å²	54.5	52%	0.517	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-8	176.3	18.2	0	0	0	0	113.3	D42 T46	D42-S44 VanDerWaalsContact CG-OG 3.24Å; D42-S44 PolarHBondContact O-N 3.36Å; D42-S44 PolarHBondContact OD1-N 3.28Å; D42-S44 PolarHBondContact OD1-OG 3.05Å; D42-S44 PolarHBondContact OD2-OG 2.99Å; S44-T46 WeakPolarHBondContact CB-OG1 3.41Å; S44-T46 PolarHBondContact O-N 2.95Å; S44-T46 PolarHBondContact OG-OG1 3.44Å
45	L	64.4	Low	71.8	Confident	107 Å²	107	55.4 Å²	55.4	56%	0.56	29%	0.286	S	S	*	.	S	Bend	trans	57.1	24.8	-171.8	-53.9	173.8	0	0	0	112.5	L41 D42 L43	L41-L45 HydrophobicContact CB-CD2 3.99Å; L41-L45 HydrophobicContact CD1-CB 4.26Å; L41-L45 HydrophobicContact CD1-CD2 4.1Å; D42-L45 PolarHBondContact O-N 2.78Å; D42-L45 PolarHBondContact OD1-N 3.21Å; L43-L45 VanDerWaalsContact C-N 3.26Å
46	T	63.2	Low	71.5	Confident	69 Å²	69	58.1 Å²	58.1	42%	0.423	30%	0.298	S	S	.	.	S	Bend	trans	-108.6	-29.6	-175	45.5	0	0	0	0	112.4	D42 S44	D42-T46 PolarHBondContact OD1-N 2.68Å; S44-T46 WeakPolarHBondContact CB-OG1 3.41Å; S44-T46 PolarHBondContact O-N 2.95Å; S44-T46 PolarHBondContact OG-OG1 3.44Å
47	Y	64.6	Low	71.1	Confident	165 Å²	165	61 Å²	61	65%	0.647	32%	0.323	S	S	*	.	S	Bend	trans	-119.8	140.8	-178.2	-62.5	-77.4	0	0	0	110.4	L41 D42 D49	L41-Y47 CarbonylContact C-O 3.54Å; L41-Y47 WeakPolarHBondContact CA-O 3.24Å; D42-Y47 PolarHBondContact N-O 3.16Å; D42-Y47 PolarHBondContact OD1-N 3.26Å; D42-Y47 WeakPolarHBondContact OD2-CD2 3.32Å; Y47-D49 PolarHBondContact O-N 2.81Å
48	V	69.9	Low	70.1	Confident	56 Å²	56	64.6 Å²	64.6	34%	0.339	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	116.4	172.3	-177.9	0	0	0	0	107.9	L39 H40 L41 D50 E51 L94	L39-V48 HydrophobicContact CD2-CG1 3.77Å; L39-V48 HydrophobicContact CD2-CG2 4.17Å; H40-V48 CarbonylContact O-C 3.46Å; L41-V48 HydrophobicContact CD2-CB 4.48Å; L41-V48 HydrophobicContact CD2-CG2 3.81Å; V48-D50 WeakPolarHBondContact CG1-O 3.44Å; V48-E51 HydrophobicContact CG1-CB 4.34Å; V48-L94 HydrophobicContact CG2-CD1 4.09Å
49	D	76.2	Confident	68.9	Low	111 Å²	111	71.1 Å²	71.1	59%	0.594	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	-38.9	179.4	-174.9	50.5	0	0	0	111.1	H40 Y47	H40-D49 IonicContact CE1-OD2 3.39Å; H40-D49 PolarHBondContact CE1-OD2 2.77Å; H40-D49 IonicContact ND1-OD2 3.08Å; H40-D49 PolarHBondContact ND1-OD2 2.86Å; H40-D49 VanDerWaalsContact ND1-OD2 3.08Å; H40-D49 PolarHBondContact O-N 2.84Å; Y47-D49 PolarHBondContact O-N 2.81Å
50	D	74.9	Confident	67.8	Low	73 Å²	73	75.1 Å²	75.1	39%	0.39	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	144.8	176.8	-172.2	33	0	0	0	111	H40 V48	H40-D50 HydrophobicContact CB-CB 3.93Å; H40-D50 WeakPolarHBondContact CB-O 3.37Å; H40-D50 PolarHBondContact N-O 2.82Å; H40-D50 PolarHBondContact O-N 3.37Å; V48-D50 WeakPolarHBondContact CG1-O 3.44Å
51	E	77.4	Confident	66.6	Low	79 Å²	79	81.4 Å²	81.4	37%	0.369	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	123.1	-179.9	-177.3	177.4	-145.7	0	0	109	H37 L39 V48 Y53	H37-E51 IonicContact CD2-OE1 3.82Å; H37-E51 IonicContact CE1-OE1 3.45Å; H37-E51 PolarHBondContact CE1-OE1 2.94Å; H37-E51 WeakPolarHBondContact NE2-CG 3.24Å; H37-E51 IonicContact NE2-OE1 2.7Å; H37-E51 PolarHBondContact NE2-OE1 3.37Å; L39-E51 HydrophobicContact CD2-CB 4.09Å; L39-E51 HydrophobicContact CD2-CG 3.7Å; V48-E51 HydrophobicContact CG1-CB 4.34Å; E51-Y53 HydrophobicContact CG-CE2 3.71Å; E51-Y53 PolarHBondContact OE1-OH 3.43Å; E51-Y53 PolarHBondContact OE2-OH 2.98Å
52	S	76.6	Confident	65.5	Low	8 Å²	8	85 Å²	85	6%	0.056	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146.5	-172.3	96.3	0	0	0	0	114.7	S17 H37 S38	S17-S52 CarbonylContact O-C 3.55Å; S17-S52 VanDerWaalsContact O-CA 3.22Å; S17-S52 WeakPolarHBondContact O-CA 3.16Å; H37-S52 CarbonylContact C-O 3.46Å; H37-S52 WeakPolarHBondContact CA-O 3.46Å; S38-S52 PolarHBondContact N-O 2.91Å; S38-S52 PolarHBondContact O-N 3.2Å; S38-S52 PolarHBondContact OG-OG 2.97Å
53	Y	79.1	Confident	64.7	Low	73 Å²	73	90 Å²	90	29%	0.286	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	146.7	-175.6	-55.2	-101.2	0	0	0	110.7	H15 C16 S17 F36 H37 E51	H15-Y53 WeakPolarHBondContact O-CB 3.28Å; C16-Y53 WeakPolarHBondContact CA-O 3.43Å; S17-Y53 PolarHBondContact N-O 3.36Å; S17-Y53 PolarHBondContact O-N 3.31Å; F36-Y53 WeakPolarHBondContact O-CA 3.37Å; H37-Y53 HydrophobicContact CB-CD1 4.04Å; H37-Y53 HydrophobicContact CB-CE1 4.19Å; H37-Y53 AromaticContact CD2-CD1 3.56Å; H37-Y53 AromaticContact CD2-CE1 3.1Å; H37-Y53 WeakPolarHBondContact CD2-CE1 3.47Å; H37-Y53 AromaticContact CD2-CE2 3.99Å; H37-Y53 AromaticContact CD2-CZ 3.35Å; H37-Y53 AromaticContact CG-CE1 3.78Å; H37-Y53 AromaticContact NE2-CE1 3.69Å; H37-Y53 AromaticContact NE2-CZ 3.56Å; H37-Y53 PolarHBondContact NE2-OH 2.79Å; E51-Y53 HydrophobicContact CG-CE2 3.71Å; E51-Y53 PolarHBondContact OE1-OH 3.43Å; E51-Y53 PolarHBondContact OE2-OH 2.98Å
54	G	80	Confident	63.8	Low	1 Å²	1	88.5 Å²	88.5	1%	0.01	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.1	-166.8	171.3	0	0	0	0	0	116.9	C16 C35 F36	C16-G54 WeakPolarHBondContact SG-CA 3.43Å; C35-G54 CarbonylContact C-O 3.59Å; C35-G54 VanDerWaalsContact CA-O 3.25Å; C35-G54 WeakPolarHBondContact CA-O 3.3Å; C35-G54 WeakPolarHBondContact CB-O 3.2Å; F36-G54 VanDerWaalsContact CD1-O 3.31Å; F36-G54 WeakPolarHBondContact CD1-O 3.15Å; F36-G54 VanDerWaalsContact CE1-C 3.42Å; F36-G54 PolarHBondContact N-O 2.69Å; F36-G54 PolarHBondContact O-N 3.2Å; F36-G54 VanDerWaalsContact O-N 3.15Å
55	C	77.1	Confident	63	Low	26 Å²	26	88 Å²	88	18%	0.176	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	145.9	177	-69	0	0	0	0	112.3	C14 C29	C14-C55 HydrophobicContact CB-CB 4.49Å; C14-C55 WeakPolarHBondContact CB-SG 2.91Å; C14-C55 PolarHBondContact SG-SG 2.85Å; C29-C55 HydrophobicContact CB-CB 3.93Å; C29-C55 WeakPolarHBondContact CB-SG 2.7Å; C29-C55 PolarHBondContact O-SG 3.21Å; C29-C55 WeakPolarHBondContact SG-CB 3.42Å; C29-C55 PolarHBondContact SG-N 2.98Å; C29-C55 CovalentContact SG-SG 2.01Å; C29-C55 PolarHBondContact SG-SG 3.25Å
56	F	71.7	Confident	62.2	Low	60 Å²	60	88.5 Å²	88.5	26%	0.263	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-70.7	136.7	161.3	-68.6	-71.9	0	0	0	110.8	S31 T33 G34 C35 F36	S31-F56 PolarHBondContact OG-O 2.81Å; S31-F56 VanDerWaalsContact OG-O 3.12Å; T33-F56 VanDerWaalsContact OG1-CB 3.3Å; T33-F56 WeakPolarHBondContact OG1-CB 3.45Å; G34-F56 WeakPolarHBondContact O-CD2 3.35Å; G34-F56 PolarHBondContact O-N 3.42Å; G34-F56 VanDerWaalsContact O-N 3.13Å; C35-F56 WeakPolarHBondContact O-CE2 3.45Å; F36-F56 HydrophobicContact CB-CE1 4.18Å; F36-F56 HydrophobicContact CB-CE2 3.84Å; F36-F56 HydrophobicContact CB-CZ 3.59Å; F36-F56 HydrophobicContact CD1-CE1 4.47Å; F36-F56 HydrophobicContact CG-CZ 4.48Å
57	S	64.3	Low	61.5	Low	100 Å²	100	87.1 Å²	87.1	70%	0.699	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-71	131.5	177.5	54.1	0	0	0	0	111	N59	S57-N59 PolarHBondContact O-N 3.21Å
58	N	53.3	Low	60.8	Low	99 Å²	99	90.3 Å²	90.3	53%	0.529	48%	0.475	S	S	.	.	S	Bend	trans	-58.3	123.4	172.5	-113.1	-10.9	0	0	0	110	S32	S32-N58 PolarHBondContact OG-ND2 3.25Å; S32-N58 PolarHBondContact OG-OD1 2.88Å
59	N	46.7	Very low	59.8	Low	152 Å²	152	93.4 Å²	93.4	81%	0.813	49%	0.489	S	S	*	.			trans	124.2	45.1	166.7	-62	-11.4	0	0	0	117.1	S57	S57-N59 PolarHBondContact O-N 3.21Å
60	T	45.3	Very low	58.6	Low	93 Å²	93	89.9 Å²	89.9	57%	0.571	47%	0.473	S	S	*	.			trans	-134.3	129.8	152.3	49.4	0	0	0	0	109.4	Q62	T60-Q62 PolarHBondContact O-N 2.76Å
61	N	44.1	Very low	57.4	Low	172 Å²	172	95.5 Å²	95.5	92%	0.92	49%	0.494	S	S	*	.			trans	-61.6	50.2	177.4	-76.1	-25.2	0	0	0	113.4	V63	N61-V63 VanDerWaalsContact C-N 3.28Å; N61-V63 PolarHBondContact O-N 2.9Å
62	Q	44.8	Very low	55.9	Low	94 Å²	94	96.6 Å²	96.6	44%	0.439	51%	0.506	S	S	.	.			trans	-87.8	72.9	170.8	-75	-176.5	-21.1	0	0	107.8	T60 D64	T60-Q62 PolarHBondContact O-N 2.76Å; Q62-D64 WeakPolarHBondContact CB-O 3.41Å; Q62-D64 PolarHBondContact O-N 2.74Å
63	V	49.3	Very low	54.7	Low	138 Å²	138	99.5 Å²	99.5	84%	0.836	54%	0.537	S	S	*	.	S	Bend	trans	-62.8	-21.5	161.3	-175.3	0	0	0	0	109.6	N61	N61-V63 VanDerWaalsContact C-N 3.28Å; N61-V63 PolarHBondContact O-N 2.9Å
64	D	49.2	Very low	53.5	Low	108 Å²	108	101.5 Å²	101.5	58%	0.578	54%	0.544	S	S	*	.	S	Bend	trans	-109	114.7	167.8	-56.9	-44.8	0	0	0	109.1	Q62 L66	Q62-D64 WeakPolarHBondContact CB-O 3.41Å; Q62-D64 PolarHBondContact O-N 2.74Å; D64-L66 HydrophobicContact CB-CB 4.48Å; D64-L66 HydrophobicContact CB-CD1 3.41Å; D64-L66 VanDerWaalsContact CB-CD1 3.41Å; D64-L66 HydrophobicContact CB-CG 3.76Å; D64-L66 PolarHBondContact O-N 3.19Å
65	L	50	Low	52.3	Low	63 Å²	63	107 Å²	107	33%	0.33	57%	0.57	S	S	.	*			trans	-69.5	44.7	171.1	-69.2	168.6	0	0	0	111.4	C67 C79 C80	L65-C67 PolarHBondContact O-N 2.95Å; L65-C79 VanDerWaalsContact O-CB 3.22Å; L65-C79 WeakPolarHBondContact O-CB 3.21Å; L65-C79 PolarHBondContact O-SG 2.88Å; L65-C80 HydrophobicContact CD1-CB 3.8Å
66	L	49.4	Very low	51.4	Low	118 Å²	118	107.9 Å²	107.9	62%	0.618	57%	0.573	S	S	*	*			trans	-73.4	113.6	176.6	-72.4	157.9	0	0	0	108.8	D64 R68	D64-L66 HydrophobicContact CB-CB 4.48Å; D64-L66 HydrophobicContact CB-CD1 3.41Å; D64-L66 VanDerWaalsContact CB-CD1 3.41Å; D64-L66 HydrophobicContact CB-CG 3.76Å; D64-L66 PolarHBondContact O-N 3.19Å; L66-R68 PolarHBondContact O-N 2.99Å
67	C	48.5	Very low	50.6	Low	40 Å²	40	107.7 Å²	107.7	27%	0.27	57%	0.574	S	S	.	*			trans	-68.7	99.8	176.9	-176.2	0	0	0	0	106.3	L65 N69 L77 C79	L65-C67 PolarHBondContact O-N 2.95Å; C67-N69 PolarHBondContact O-N 3.09Å; C67-L77 PolarHBondContact SG-O 2.93Å; C67-L77 VanDerWaalsContact SG-O 3.4Å; C67-C79 WeakPolarHBondContact CB-SG 3.43Å; C67-C79 PolarHBondContact N-SG 2.86Å
68	R	49.3	Very low	50.3	Low	233 Å²	233	108.3 Å²	108.3	88%	0.879	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-5.9	-172.4	-135.9	177.9	-167.9	-178.3	3.3	113	L66	L66-R68 PolarHBondContact O-N 2.99Å
69	N	48	Very low	50.5	Low	120 Å²	120	106 Å²	106	64%	0.642	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-165.3	77.2	176.5	-118	-22.3	0	0	0	112.1	C67 K71 V72	C67-N69 PolarHBondContact O-N 3.09Å; N69-K71 PolarHBondContact O-N 2.79Å; N69-K71 VanDerWaalsContact O-N 3.1Å; N69-V72 HydrophobicContact CB-CG2 3.78Å; N69-V72 VanDerWaalsContact CG-CG2 3.44Å; N69-V72 WeakPolarHBondContact ND2-CG2 3.26Å
70	S	51.8	Low	51.1	Low	37 Å²	37	99.5 Å²	99.5	26%	0.259	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-9.8	179.3	178.3	0	0	0	0	114.1	L77	S70-L77 PolarHBondContact OG-O 3.46Å
71	K	49.9	Very low	51.6	Low	192 Å²	192	98 Å²	98	84%	0.835	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.2	39.9	-171.2	-62.4	-165.7	178.1	-172.2	0	114.9	N69	N69-K71 PolarHBondContact O-N 2.79Å; N69-K71 VanDerWaalsContact O-N 3.1Å
72	V	44.8	Very low	52.2	Low	101 Å²	101	95.4 Å²	95.4	61%	0.612	51%	0.508	S	S	*	.	S	Bend	trans	-97.3	93.1	169.2	-174.3	0	0	0	0	109.3	N69	N69-V72 HydrophobicContact CB-CG2 3.78Å; N69-V72 VanDerWaalsContact CG-CG2 3.44Å; N69-V72 WeakPolarHBondContact ND2-CG2 3.26Å
73	G	52.8	Low	52.7	Low	70 Å²	70	97.5 Å²	97.5	72%	0.722	52%	0.522	S	S	*	.	S	Bend	trans	90.6	-146.2	167.8	0	0	0	0	0	115.6
74	R	54	Low	53	Low	114 Å²	114	93.3 Å²	93.3	43%	0.43	50%	0.495	S	S	.	.	S	Bend	trans	-85.9	3.7	-173.1	-67.7	-175.4	-170.7	161.3	4.4	114.5	H40 L41 L43	H40-R74 WeakPolarHBondContact CA-O 3.47Å; H40-R74 WeakPolarHBondContact NE2-CB 3.31Å; L41-R74 PolarHBondContact N-O 2.81Å; L43-R74 VanDerWaalsContact CG-NH2 3.31Å
75	Q	53.9	Low	53.1	Low	116 Å²	116	90.3 Å²	90.3	54%	0.542	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.5	-176.7	-65.6	177.7	-2.8	0	0	110	L39 H40	L39-Q75 WeakPolarHBondContact O-CA 3.45Å; H40-Q75 HydrophobicContact CB-CG 4.49Å
76	L	57.8	Low	53.5	Low	46 Å²	46	91.3 Å²	91.3	24%	0.241	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	114.8	174.1	-106.1	122.5	0	0	0	110.1	L39 L41 Y78 L97	L39-L76 PolarHBondContact O-N 3.46Å; L41-L76 HydrophobicContact CD1-CD1 3.72Å; L76-Y78 HydrophobicContact CD2-CD2 4.34Å; L76-Y78 HydrophobicContact CD2-CE2 3.37Å; L76-Y78 WeakPolarHBondContact CD2-OH 3.32Å; L76-L97 HydrophobicContact CD2-CD2 3.95Å
77	L	55.1	Low	54	Low	55 Å²	55	88.4 Å²	88.4	29%	0.288	48%	0.48	S	S	.	.			trans	-126.3	115.7	175.7	-165.4	79	0	0	0	108.8	C67 S70	C67-L77 PolarHBondContact SG-O 2.93Å; C67-L77 VanDerWaalsContact SG-O 3.4Å; S70-L77 PolarHBondContact OG-O 3.46Å
78	Y	58	Low	54.6	Low	113 Å²	113	86.6 Å²	86.6	44%	0.443	47%	0.468	S	S	.	.			trans	-87.9	-173.7	168	-66.8	-93.6	0	0	0	110.4	L76 C88 N89 L97	L76-Y78 HydrophobicContact CD2-CD2 4.34Å; L76-Y78 HydrophobicContact CD2-CE2 3.37Å; L76-Y78 WeakPolarHBondContact CD2-OH 3.32Å; Y78-C88 PolarHBondContact O-SG 2.82Å; Y78-N89 WeakPolarHBondContact CB-OD1 3.39Å; Y78-N89 VanDerWaalsContact CD2-OD1 3.22Å; Y78-N89 WeakPolarHBondContact CD2-OD1 3.39Å; Y78-N89 PolarHBondContact N-OD1 3.2Å; Y78-L97 HydrophobicContact CE2-CD2 4.14Å
79	C	58.7	Low	55	Low	50 Å²	50	76 Å²	76	34%	0.338	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-100.7	152	173.2	-62.1	0	0	0	0	110	L65 C67 S81	L65-C79 VanDerWaalsContact O-CB 3.22Å; L65-C79 WeakPolarHBondContact O-CB 3.21Å; L65-C79 PolarHBondContact O-SG 2.88Å; C67-C79 WeakPolarHBondContact CB-SG 3.43Å; C67-C79 PolarHBondContact N-SG 2.86Å; C79-S81 PolarHBondContact O-N 3.05Å
80	C	57.5	Low	55.6	Low	17 Å²	17	78.3 Å²	78.3	12%	0.115	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-69	124.5	156.9	-53.9	0	0	0	0	108.7	L65 C88	L65-C80 HydrophobicContact CD1-CB 3.8Å; C80-C88 VanDerWaalsContact SG-CA 3.52Å; C80-C88 VanDerWaalsContact SG-CB 3.52Å; C80-C88 PolarHBondContact SG-N 3.45Å
81	S	56.5	Low	55.9	Low	60 Å²	60	82.3 Å²	82.3	42%	0.42	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-71.2	159	159.8	-176.9	0	0	0	0	109.7	C79 N83 D84	C79-S81 PolarHBondContact O-N 3.05Å; S81-N83 PolarHBondContact O-N 3.48Å; S81-D84 WeakPolarHBondContact CB-OD2 3.46Å; S81-D84 PolarHBondContact N-OD2 3.41Å; S81-D84 PolarHBondContact O-N 3.3Å
82	S	56.4	Low	56.2	Low	119 Å²	119	75.4 Å²	75.4	83%	0.832	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-19.3	173.1	56.8	0	0	0	0	113.3
83	N	56.2	Low	56.7	Low	137 Å²	137	73.5 Å²	73.5	73%	0.733	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-13.1	-177.3	-57.6	-6.1	0	0	0	113.8	S81	S81-N83 PolarHBondContact O-N 3.48Å
84	D	54.3	Low	56.5	Low	50 Å²	50	74.5 Å²	74.5	27%	0.267	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-13	-170.7	-69.7	-34.7	0	0	0	113.6	S81	S81-D84 WeakPolarHBondContact CB-OD2 3.46Å; S81-D84 PolarHBondContact N-OD2 3.41Å; S81-D84 PolarHBondContact O-N 3.3Å
85	G	52.7	Low	56.3	Low	46 Å²	46	75.8 Å²	75.8	47%	0.474	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	-147.3	-177.8	0	0	0	0	0	112.8	L87	G85-L87 PolarHBondContact O-N 2.85Å; G85-L87 VanDerWaalsContact O-N 3.07Å
86	D	58.3	Low	56.3	Low	84 Å²	84	75.7 Å²	75.7	45%	0.449	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-1.4	-165.3	-62.6	-35.6	0	0	0	115.7	V12 C35	V12-D86 HydrophobicContact CG1-CB 3.78Å; V12-D86 WeakPolarHBondContact CG1-OD1 3.3Å; C35-D86 CarbonylContact C-O 3.48Å; C35-D86 WeakPolarHBondContact CA-O 3.45Å; C35-D86 WeakPolarHBondContact CB-O 3.29Å; C35-D86 PolarHBondContact N-O 3.47Å; C35-D86 PolarHBondContact SG-O 3.02Å
87	L	60.1	Low	55.9	Low	56 Å²	56	76.3 Å²	76.3	29%	0.293	42%	0.42	S	S	.	.	B	Isolated β-bridge	trans	-140.9	112	-172.2	-71.3	165	0	0	0	112.5	C35 G85 R90	C35-L87 HydrophobicContact CB-CD2 3.78Å; G85-L87 PolarHBondContact O-N 2.85Å; G85-L87 VanDerWaalsContact O-N 3.07Å; L87-R90 HydrophobicContact CB-CB 3.88Å; L87-R90 HydrophobicContact CB-CG 4.4Å; L87-R90 VanDerWaalsContact O-CB 3.3Å; L87-R90 WeakPolarHBondContact O-CB 3.47Å; L87-R90 PolarHBondContact O-N 3.3Å
88	C	60.4	Low	55.7	Low	2 Å²	2	77.6 Å²	77.6	1%	0.014	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	144	166.4	-175.9	0	0	0	0	110.4	H37 Y78 C80 R90	H37-C88 WeakPolarHBondContact CB-O 3.25Å; Y78-C88 PolarHBondContact O-SG 2.82Å; C80-C88 VanDerWaalsContact SG-CA 3.52Å; C80-C88 VanDerWaalsContact SG-CB 3.52Å; C80-C88 PolarHBondContact SG-N 3.45Å; C88-R90 PolarHBondContact O-N 2.84Å
89	N	58.9	Low	54.8	Low	12 Å²	12	80.3 Å²	80.3	6%	0.064	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	1.7	-177.6	-56.2	-31.1	0	0	0	116.1	H37 Y78 N91 S92	H37-N89 PolarHBondContact O-ND2 3.3Å; Y78-N89 WeakPolarHBondContact CB-OD1 3.39Å; Y78-N89 VanDerWaalsContact CD2-OD1 3.22Å; Y78-N89 WeakPolarHBondContact CD2-OD1 3.39Å; Y78-N89 PolarHBondContact N-OD1 3.2Å; N89-N91 VanDerWaalsContact C-N 3.29Å; N89-N91 PolarHBondContact O-N 3.27Å; N89-N91 VanDerWaalsContact O-N 3.16Å; N89-S92 WeakPolarHBondContact O-CB 3.29Å; N89-S92 PolarHBondContact O-N 3.48Å
90	R	59.8	Low	54.1	Low	167 Å²	167	82.8 Å²	82.8	63%	0.63	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-41.4	-173	-176.5	-179.9	-178.4	176.7	2.1	114.3	L87 C88	L87-R90 HydrophobicContact CB-CB 3.88Å; L87-R90 HydrophobicContact CB-CG 4.4Å; L87-R90 VanDerWaalsContact O-CB 3.3Å; L87-R90 WeakPolarHBondContact O-CB 3.47Å; L87-R90 PolarHBondContact O-N 3.3Å; C88-R90 PolarHBondContact O-N 2.84Å
91	N	57.4	Low	53.3	Low	121 Å²	121	88 Å²	88	65%	0.647	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-3.4	-178.1	-72.6	-22.7	0	0	0	113.2	N89 S93	N89-N91 VanDerWaalsContact C-N 3.29Å; N89-N91 PolarHBondContact O-N 3.27Å; N89-N91 VanDerWaalsContact O-N 3.16Å; N91-S93 PolarHBondContact O-N 2.96Å
92	S	57	Low	52.2	Low	47 Å²	47	93.9 Å²	93.9	33%	0.329	50%	0.503	S	S	.	.			trans	-81.3	91.4	-179.6	-52.5	0	0	0	0	108.9	N89 L94 L97	N89-S92 WeakPolarHBondContact O-CB 3.29Å; N89-S92 PolarHBondContact O-N 3.48Å; S92-L94 PolarHBondContact O-N 3.48Å; S92-L97 VanDerWaalsContact CB-CD1 3.41Å
93	S	54.1	Low	51.2	Low	62 Å²	62	93.8 Å²	93.8	43%	0.434	49%	0.492	S	S	.	.			trans	-56	137.2	170.5	71.3	0	0	0	0	109.1	N91 L95 E96 L97	N91-S93 PolarHBondContact O-N 2.96Å; S93-L95 PolarHBondContact O-N 2.82Å; S93-E96 PolarHBondContact O-N 2.99Å; S93-E96 PolarHBondContact OG-N 3.25Å; S93-L97 PolarHBondContact O-N 3.42Å
94	L	49.8	Very low	50.1	Low	90 Å²	90	93.9 Å²	93.9	47%	0.471	49%	0.493	S	S	.	.	H	α-helix	trans	-49.8	-33.2	178.5	-153.9	98.3	0	0	0	111.5	L39 V48 S92 L97 I98	L39-L94 HydrophobicContact CD1-CD1 4.46Å; V48-L94 HydrophobicContact CG2-CD1 4.09Å; S92-L94 PolarHBondContact O-N 3.48Å; L94-L97 PolarHBondContact O-N 3.17Å; L94-I98 HydrophobicContact CD2-CD1 3.55Å; L94-I98 HydrophobicContact CG-CD1 3.72Å; L94-I98 WeakPolarHBondContact O-CB 3.15Å; L94-I98 WeakPolarHBondContact O-CD1 3.48Å; L94-I98 VanDerWaalsContact O-CG1 3.24Å; L94-I98 WeakPolarHBondContact O-CG1 3.24Å; L94-I98 PolarHBondContact O-N 2.87Å
95	L	50.5	Low	49.7	Very low	142 Å²	142	96.4 Å²	96.4	74%	0.743	51%	0.512	S	S	*	.	H	α-helix	trans	-68.7	-26.4	176.3	-98.7	103.8	0	0	0	115	S93 R99	S93-L95 PolarHBondContact O-N 2.82Å; L95-R99 WeakPolarHBondContact O-CA 3.4Å; L95-R99 WeakPolarHBondContact O-CB 3.35Å; L95-R99 PolarHBondContact O-N 3.24Å; L95-R99 VanDerWaalsContact O-N 3.13Å
96	E	52.8	Low	49.1	Very low	114 Å²	114	103.2 Å²	103.2	53%	0.533	53%	0.531	S	S	.	.	H	α-helix	trans	-78.9	-33.8	172.3	-91.5	-172.9	159.4	0	0	112.7	S93 I98 R99	S93-E96 PolarHBondContact O-N 2.99Å; S93-E96 PolarHBondContact OG-N 3.25Å; E96-I98 VanDerWaalsContact C-N 3.34Å; E96-R99 IonicContact OE1-NH2 3.02Å; E96-R99 PolarHBondContact OE1-NH2 3.09Å
97	L	50.1	Low	48.3	Very low	58 Å²	58	103 Å²	103	30%	0.304	54%	0.541	S	S	.	.	H	α-helix	trans	-69.3	-32.8	171.9	-88.4	109.1	0	0	0	112.6	L76 Y78 S92 S93 L94	L76-L97 HydrophobicContact CD2-CD2 3.95Å; Y78-L97 HydrophobicContact CE2-CD2 4.14Å; S92-L97 VanDerWaalsContact CB-CD1 3.41Å; S93-L97 PolarHBondContact O-N 3.42Å; L94-L97 PolarHBondContact O-N 3.17Å
98	I	50	Low	48	Very low	82 Å²	82	107.1 Å²	107.1	42%	0.421	56%	0.557	S	S	.	*	S	Bend	trans	-94.6	-3.3	-176	-62.4	169.3	0	0	0	111.9	L94 E96 P100	L94-I98 HydrophobicContact CD2-CD1 3.55Å; L94-I98 HydrophobicContact CG-CD1 3.72Å; L94-I98 WeakPolarHBondContact O-CB 3.15Å; L94-I98 WeakPolarHBondContact O-CD1 3.48Å; L94-I98 VanDerWaalsContact O-CG1 3.24Å; L94-I98 WeakPolarHBondContact O-CG1 3.24Å; L94-I98 PolarHBondContact O-N 2.87Å; E96-I98 VanDerWaalsContact C-N 3.34Å; I98-P100 WeakPolarHBondContact O-CD 3.24Å
99	R	38.7	Very low	48.1	Very low	170 Å²	170	110.7 Å²	110.7	64%	0.642	58%	0.578	S	S	*	*			trans	-55.5	107.3	-170.2	-140.9	-170.8	-75.3	-153.1	5.9	109.7	L95 E96 V101	L95-R99 WeakPolarHBondContact O-CA 3.4Å; L95-R99 WeakPolarHBondContact O-CB 3.35Å; L95-R99 PolarHBondContact O-N 3.24Å; L95-R99 VanDerWaalsContact O-N 3.13Å; E96-R99 IonicContact OE1-NH2 3.02Å; E96-R99 PolarHBondContact OE1-NH2 3.09Å; R99-V101 PolarHBondContact O-N 2.83Å; R99-V101 VanDerWaalsContact O-N 3.17Å
100	P	43.8	Very low	48.6	Very low	103 Å²	103	118.4 Å²	118.4	67%	0.669	61%	0.607	S	S	*	*			trans	-64.9	126.6	180	25.3	-29.8	0	0	0	105.8	I98 Q102	I98-P100 WeakPolarHBondContact O-CD 3.24Å; P100-Q102 PolarHBondContact O-N 2.79Å
101	V	41.6	Very low	49.3	Very low	126 Å²	126	116.6 Å²	116.6	76%	0.764	60%	0.604	S	S	*	*			trans	-48.6	104.8	175.5	177	0	0	0	0	107.2	R99 I103	R99-V101 PolarHBondContact O-N 2.83Å; R99-V101 VanDerWaalsContact O-N 3.17Å; V101-I103 HydrophobicContact CG1-CG1 3.82Å; V101-I103 PolarHBondContact O-N 3.32Å
102	Q	33.5	Very low	49.8	Very low	184 Å²	184	113.4 Å²	113.4	86%	0.86	59%	0.591	S	S	*	*			trans	-71.6	90.3	170.8	-77.9	-137.7	-30.3	0	0	106.8	P100 N104	P100-Q102 PolarHBondContact O-N 2.79Å; Q102-N104 PolarHBondContact O-N 3.37Å; Q102-N104 VanDerWaalsContact O-N 3.09Å
103	I	36.1	Very low	50.5	Low	117 Å²	117	115.6 Å²	115.6	60%	0.6	60%	0.598	S	S	*	*			trans	-68.1	102.2	168.9	-58.2	173.8	0	0	0	105.9	V101 P105	V101-I103 HydrophobicContact CG1-CG1 3.82Å; V101-I103 PolarHBondContact O-N 3.32Å; I103-P105 VanDerWaalsContact O-CD 3.32Å; I103-P105 WeakPolarHBondContact O-CD 3.45Å; I103-P105 VanDerWaalsContact O-N 3.14Å
104	N	32.4	Very low	51.5	Low	138 Å²	138	116.7 Å²	116.7	74%	0.738	60%	0.598	S	S	*	*			trans	-53.8	114.8	164.3	-103.6	-31.9	0	0	0	108	Q102 H106	Q102-N104 PolarHBondContact O-N 3.37Å; Q102-N104 VanDerWaalsContact O-N 3.09Å; N104-H106 PolarHBondContact O-N 2.79Å
105	P	45.1	Very low	53	Low	103 Å²	103	116.7 Å²	116.7	67%	0.669	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	10.1	-166.6	2.7	8	0	0	0	115.2	I103	I103-P105 VanDerWaalsContact O-CD 3.32Å; I103-P105 WeakPolarHBondContact O-CD 3.45Å; I103-P105 VanDerWaalsContact O-N 3.14Å
106	H	39.7	Very low	54.4	Low	189 Å²	189	113.1 Å²	113.1	88%	0.875	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123	18	-175.2	-75.7	-64.6	0	0	0	116.7	N104	N104-H106 PolarHBondContact O-N 2.79Å
107	A	43	Very low	56	Low	80 Å²	80	111.8 Å²	111.8	66%	0.661	59%	0.593	S	S	*	*	S	Bend	trans	-128.1	10.9	170.5	0	0	0	0	0	114.9	T109	A107-T109 PolarHBondContact O-N 2.81Å
108	F	53.3	Low	57.8	Low	142 Å²	142	113.6 Å²	113.6	62%	0.623	60%	0.602	S	S	*	*			trans	-102.1	70.5	-177.5	-134.9	-102.7	0	0	0	111.1	W110 I113	F108-W110 PolarHBondContact O-N 2.93Å; F108-I113 HydrophobicContact CD1-CD1 4Å; F108-I113 HydrophobicContact CD1-CG1 4.08Å; F108-I113 HydrophobicContact CE1-CD1 3.69Å; F108-I113 HydrophobicContact CE1-CG1 3.5Å; F108-I113 HydrophobicContact CZ-CG1 4.41Å
109	T	61.9	Low	59.5	Low	77 Å²	77	117.1 Å²	117.1	47%	0.472	62%	0.615	S	S	.	*			trans	-68.2	134.4	174	67.6	0	0	0	0	109	A107 K111 S112	A107-T109 PolarHBondContact O-N 2.81Å; T109-K111 PolarHBondContact O-N 2.75Å; T109-S112 PolarHBondContact O-N 3.16Å
110	W	69.8	Low	62	Low	175 Å²	175	112.6 Å²	112.6	66%	0.663	61%	0.607	S	S	*	*	H	α-helix	trans	-46.6	-24.6	176.1	63.6	-90.8	0	0	0	113.7	F108 S112 I113 L114	F108-W110 PolarHBondContact O-N 2.93Å; W110-S112 VanDerWaalsContact C-N 3.28Å; W110-S112 PolarHBondContact O-N 3.18Å; W110-I113 PolarHBondContact O-N 2.8Å; W110-L114 HydrophobicContact CZ3-CD2 4.08Å; W110-L114 PolarHBondContact O-N 2.81Å; W110-L114 VanDerWaalsContact O-N 3.09Å
111	K	73.9	Confident	64.2	Low	129 Å²	129	111.2 Å²	111.2	56%	0.561	60%	0.597	S	S	*	*	H	α-helix	trans	-56.2	-37.3	172.7	-62	-175.3	178.6	-178.7	0	113.1	T109 L114 T115	T109-K111 PolarHBondContact O-N 2.75Å; K111-L114 PolarHBondContact O-N 2.72Å; K111-T115 WeakPolarHBondContact O-CG2 3.28Å; K111-T115 PolarHBondContact O-N 3.11Å; K111-T115 PolarHBondContact O-OG1 2.94Å; K111-T115 VanDerWaalsContact O-OG1 3.09Å
112	S	69.6	Low	66.7	Low	54 Å²	54	111.4 Å²	111.4	38%	0.378	59%	0.588	S	S	.	*	H	α-helix	trans	-72.2	-34.5	-178.6	-54.1	0	0	0	0	113	T109 W110 T115 A116	T109-S112 PolarHBondContact O-N 3.16Å; W110-S112 VanDerWaalsContact C-N 3.28Å; W110-S112 PolarHBondContact O-N 3.18Å; S112-T115 WeakPolarHBondContact CA-OG1 3.4Å; S112-T115 PolarHBondContact O-OG1 2.9Å; S112-A116 WeakPolarHBondContact O-CB 3.38Å; S112-A116 PolarHBondContact O-N 2.91Å; S112-A116 VanDerWaalsContact O-N 3.07Å
113	I	70.4	Confident	69.5	Low	92 Å²	92	105.1 Å²	105.1	47%	0.472	57%	0.568	S	S	.	*	H	α-helix	trans	-69.4	-43.9	173.7	-59.3	174.5	0	0	0	109.2	F108 W110 T115 A116 V117	F108-I113 HydrophobicContact CD1-CD1 4Å; F108-I113 HydrophobicContact CD1-CG1 4.08Å; F108-I113 HydrophobicContact CE1-CD1 3.69Å; F108-I113 HydrophobicContact CE1-CG1 3.5Å; F108-I113 HydrophobicContact CZ-CG1 4.41Å; W110-I113 PolarHBondContact O-N 2.8Å; I113-T115 VanDerWaalsContact C-N 3.33Å; I113-T115 PolarHBondContact O-N 2.8Å; I113-A116 PolarHBondContact O-N 2.9Å; I113-V117 PolarHBondContact O-N 3.33Å; I113-V117 VanDerWaalsContact O-N 3.08Å
114	L	76	Confident	72.3	Confident	85 Å²	85	105.3 Å²	105.3	45%	0.445	57%	0.569	S	S	.	*	H	α-helix	trans	-59.6	-44.9	179.1	-158.1	86.2	0	0	0	110.9	W110 K111 L118	W110-L114 HydrophobicContact CZ3-CD2 4.08Å; W110-L114 PolarHBondContact O-N 2.81Å; W110-L114 VanDerWaalsContact O-N 3.09Å; K111-L114 PolarHBondContact O-N 2.72Å; L114-L118 HydrophobicContact CD1-CD1 3.93Å; L114-L118 HydrophobicContact CD1-CG 4.37Å; L114-L118 HydrophobicContact CD2-CD1 3.75Å; L114-L118 HydrophobicContact CG-CD1 3.46Å; L114-L118 VanDerWaalsContact CG-CD1 3.46Å; L114-L118 HydrophobicContact CG-CG 4.02Å; L114-L118 WeakPolarHBondContact O-CB 3.49Å; L114-L118 VanDerWaalsContact O-CG 3.24Å; L114-L118 WeakPolarHBondContact O-CG 3.48Å; L114-L118 PolarHBondContact O-N 3.37Å
115	T	81.5	Confident	75.4	Confident	90 Å²	90	104.7 Å²	104.7	55%	0.552	56%	0.56	S	S	*	*	H	α-helix	trans	-67.3	-42.1	176.6	48.5	0	0	0	0	112.6	K111 S112 I113 V117 F119	K111-T115 WeakPolarHBondContact O-CG2 3.28Å; K111-T115 PolarHBondContact O-N 3.11Å; K111-T115 PolarHBondContact O-OG1 2.94Å; K111-T115 VanDerWaalsContact O-OG1 3.09Å; S112-T115 WeakPolarHBondContact CA-OG1 3.4Å; S112-T115 PolarHBondContact O-OG1 2.9Å; I113-T115 VanDerWaalsContact C-N 3.33Å; I113-T115 PolarHBondContact O-N 2.8Å; T115-V117 VanDerWaalsContact C-N 3.29Å; T115-V117 PolarHBondContact O-N 2.89Å; T115-F119 WeakPolarHBondContact O-CB 3.42Å; T115-F119 PolarHBondContact O-N 3Å
116	A	80.3	Confident	77.7	Confident	68 Å²	68	102.2 Å²	102.2	56%	0.562	55%	0.545	S	S	*	.	H	α-helix	trans	-66	-27.4	-178.6	0	0	0	0	0	114	S112 I113 P120	S112-A116 WeakPolarHBondContact O-CB 3.38Å; S112-A116 PolarHBondContact O-N 2.91Å; S112-A116 VanDerWaalsContact O-N 3.07Å; I113-A116 PolarHBondContact O-N 2.9Å; A116-P120 WeakPolarHBondContact O-CD 3.25Å; A116-P120 WeakPolarHBondContact O-CG 3.43Å
117	V	86.1	Confident	80.4	Confident	86 Å²	86	94.7 Å²	94.7	52%	0.521	52%	0.518	S	S	.	.	H	α-helix	trans	-98.6	-44	178.9	179.9	0	0	0	0	111.9	I113 T115 F119 P120 T121	I113-V117 PolarHBondContact O-N 3.33Å; I113-V117 VanDerWaalsContact O-N 3.08Å; T115-V117 VanDerWaalsContact C-N 3.29Å; T115-V117 PolarHBondContact O-N 2.89Å; V117-F119 PolarHBondContact O-N 2.77Å; V117-P120 WeakPolarHBondContact O-CD 3.4Å; V117-T121 HydrophobicContact CG1-CG2 4.45Å; V117-T121 WeakPolarHBondContact O-CB 3.18Å; V117-T121 VanDerWaalsContact O-CG2 3.26Å; V117-T121 WeakPolarHBondContact O-CG2 3.25Å; V117-T121 PolarHBondContact O-N 3.18Å; V117-T121 PolarHBondContact O-OG1 3.1Å
118	L	86.3	Confident	82.9	Confident	95 Å²	95	95.5 Å²	95.5	50%	0.497	51%	0.511	S	S	.	.	H	α-helix	trans	-68.6	-35.7	-179	-67.8	-174.8	0	0	0	111.7	L114 T121 F122	L114-L118 HydrophobicContact CD1-CD1 3.93Å; L114-L118 HydrophobicContact CD1-CG 4.37Å; L114-L118 HydrophobicContact CD2-CD1 3.75Å; L114-L118 HydrophobicContact CG-CD1 3.46Å; L114-L118 VanDerWaalsContact CG-CD1 3.46Å; L114-L118 HydrophobicContact CG-CG 4.02Å; L114-L118 WeakPolarHBondContact O-CB 3.49Å; L114-L118 VanDerWaalsContact O-CG 3.24Å; L114-L118 WeakPolarHBondContact O-CG 3.48Å; L114-L118 PolarHBondContact O-N 3.37Å; L118-T121 WeakPolarHBondContact CA-OG1 3.45Å; L118-T121 PolarHBondContact O-OG1 3.17Å; L118-T121 VanDerWaalsContact O-OG1 3.11Å; L118-F122 WeakPolarHBondContact O-CB 3.37Å; L118-F122 PolarHBondContact O-N 3.17Å
119	F	86.9	Confident	85	Confident	157 Å²	157	92.6 Å²	92.6	69%	0.689	50%	0.501	S	S	*	.	H	α-helix	trans	-68.2	-47.2	-176	-162.9	-90.7	0	0	0	112.8	T115 V117 A123	T115-F119 WeakPolarHBondContact O-CB 3.42Å; T115-F119 PolarHBondContact O-N 3Å; V117-F119 PolarHBondContact O-N 2.77Å; F119-A123 VanDerWaalsContact O-CB 3.32Å; F119-A123 WeakPolarHBondContact O-CB 3.47Å; F119-A123 PolarHBondContact O-N 2.67Å
120	P	91	Very high	86.5	Confident	74 Å²	74	91.6 Å²	91.6	48%	0.481	50%	0.501	S	S	.	.	H	α-helix	trans	-68.5	-38	176.2	-21.3	34.9	0	0	0	113.3	A116 V117 A123 L124	A116-P120 WeakPolarHBondContact O-CD 3.25Å; A116-P120 WeakPolarHBondContact O-CG 3.43Å; V117-P120 WeakPolarHBondContact O-CD 3.4Å; P120-A123 PolarHBondContact O-N 3.25Å; P120-L124 WeakPolarHBondContact O-CB 3.35Å; P120-L124 PolarHBondContact O-N 3.33Å
121	T	90.3	Very high	87.7	Confident	75 Å²	75	88 Å²	88	46%	0.46	49%	0.494	S	S	.	.	H	α-helix	trans	-68.1	-39.2	178	53.8	0	0	0	0	111.5	V117 L118 L124 F125	V117-T121 HydrophobicContact CG1-CG2 4.45Å; V117-T121 WeakPolarHBondContact O-CB 3.18Å; V117-T121 VanDerWaalsContact O-CG2 3.26Å; V117-T121 WeakPolarHBondContact O-CG2 3.25Å; V117-T121 PolarHBondContact O-N 3.18Å; V117-T121 PolarHBondContact O-OG1 3.1Å; L118-T121 WeakPolarHBondContact CA-OG1 3.45Å; L118-T121 PolarHBondContact O-OG1 3.17Å; L118-T121 VanDerWaalsContact O-OG1 3.11Å; T121-L124 PolarHBondContact O-N 3.3Å; T121-F125 WeakPolarHBondContact O-CB 3.49Å; T121-F125 PolarHBondContact O-N 2.99Å
122	F	93	Very high	88.7	Confident	130 Å²	130	88.7 Å²	88.7	57%	0.57	50%	0.5	S	S	*	.	H	α-helix	trans	-65.1	-42.3	171.6	-175.9	-102.6	0	0	0	111.8	L118 L124 F125 C126	L118-F122 WeakPolarHBondContact O-CB 3.37Å; L118-F122 PolarHBondContact O-N 3.17Å; F122-L124 PolarHBondContact O-N 3.1Å; F122-F125 PolarHBondContact O-N 2.95Å; F122-C126 WeakPolarHBondContact CE1-SG 3.42Å; F122-C126 VanDerWaalsContact CZ-SG 3.5Å; F122-C126 VanDerWaalsContact O-CB 3.32Å; F122-C126 WeakPolarHBondContact O-CB 3.48Å; F122-C126 PolarHBondContact O-N 2.96Å; F122-C126 PolarHBondContact O-SG 3.18Å
123	A	93.7	Very high	89.9	Confident	52 Å²	52	90.8 Å²	90.8	43%	0.43	51%	0.507	S	S	.	.	H	α-helix	trans	-62.1	-42	175.4	0	0	0	0	0	112.1	F119 P120 C126 G127	F119-A123 VanDerWaalsContact O-CB 3.32Å; F119-A123 WeakPolarHBondContact O-CB 3.47Å; F119-A123 PolarHBondContact O-N 2.67Å; P120-A123 PolarHBondContact O-N 3.25Å; A123-C126 PolarHBondContact O-N 3.03Å; A123-G127 PolarHBondContact O-N 2.8Å
124	L	95	Very high	91	Very high	121 Å²	121	92.7 Å²	92.7	63%	0.634	51%	0.512	S	S	*	.	H	α-helix	trans	-61.6	-47.2	174.2	-169.9	86.5	0	0	0	111	P120 T121 F122 G127 L128	P120-L124 WeakPolarHBondContact O-CB 3.35Å; P120-L124 PolarHBondContact O-N 3.33Å; T121-L124 PolarHBondContact O-N 3.3Å; F122-L124 PolarHBondContact O-N 3.1Å; L124-G127 PolarHBondContact O-N 2.7Å; L124-L128 HydrophobicContact CG-CD1 4.41Å; L124-L128 WeakPolarHBondContact O-CG 3.46Å; L124-L128 PolarHBondContact O-N 3.36Å
125	F	95.9	Very high	91.4	Very high	125 Å²	125	97 Å²	97	55%	0.548	52%	0.523	S	S	.	.	H	α-helix	trans	-61.2	-46.7	177.6	-178.7	-98.4	0	0	0	111.7	T121 F122 G127 L128 L129	T121-F125 WeakPolarHBondContact O-CB 3.49Å; T121-F125 PolarHBondContact O-N 2.99Å; F122-F125 PolarHBondContact O-N 2.95Å; F125-G127 VanDerWaalsContact C-N 3.31Å; F125-G127 PolarHBondContact O-N 3.18Å; F125-L128 PolarHBondContact O-N 3.47Å; F125-L129 HydrophobicContact CE1-CD1 3.87Å; F125-L129 HydrophobicContact CZ-CD1 3.93Å; F125-L129 VanDerWaalsContact O-CB 3.26Å; F125-L129 WeakPolarHBondContact O-CB 3.32Å; F125-L129 PolarHBondContact O-N 3.45Å
126	C	95.2	Very high	91.8	Very high	51 Å²	51	99.9 Å²	99.9	35%	0.345	53%	0.528	S	S	.	.	H	α-helix	trans	-60.8	-39.3	175	-73.9	0	0	0	0	112.1	F122 A123 L129 A130	F122-C126 WeakPolarHBondContact CE1-SG 3.42Å; F122-C126 VanDerWaalsContact CZ-SG 3.5Å; F122-C126 VanDerWaalsContact O-CB 3.32Å; F122-C126 WeakPolarHBondContact O-CB 3.48Å; F122-C126 PolarHBondContact O-N 2.96Å; F122-C126 PolarHBondContact O-SG 3.18Å; A123-C126 PolarHBondContact O-N 3.03Å; C126-L129 PolarHBondContact O-N 2.97Å; C126-A130 VanDerWaalsContact O-CB 3.31Å; C126-A130 WeakPolarHBondContact O-CB 3.44Å; C126-A130 PolarHBondContact O-N 3.4Å
127	G	95.2	Very high	92.4	Very high	31 Å²	31	103 Å²	103	32%	0.32	53%	0.526	S	S	.	.	H	α-helix	trans	-64.1	-46.9	175.1	0	0	0	0	0	112.7	A123 L124 F125 L129 A130 I131	A123-G127 PolarHBondContact O-N 2.8Å; L124-G127 PolarHBondContact O-N 2.7Å; F125-G127 VanDerWaalsContact C-N 3.31Å; F125-G127 PolarHBondContact O-N 3.18Å; G127-L129 VanDerWaalsContact C-N 3.34Å; G127-L129 PolarHBondContact O-N 3.5Å; G127-A130 PolarHBondContact O-N 2.86Å; G127-I131 WeakPolarHBondContact O-CG1 3.14Å; G127-I131 PolarHBondContact O-N 3.47Å
128	L	96.1	Very high	92.4	Very high	97 Å²	97	104.3 Å²	104.3	51%	0.508	52%	0.524	S	S	.	.	H	α-helix	trans	-63.8	-40.4	175.6	-70	173.7	0	0	0	111.8	L124 F125 I131 M132	L124-L128 HydrophobicContact CG-CD1 4.41Å; L124-L128 WeakPolarHBondContact O-CG 3.46Å; L124-L128 PolarHBondContact O-N 3.36Å; F125-L128 PolarHBondContact O-N 3.47Å; L128-I131 PolarHBondContact O-N 2.88Å; L128-M132 WeakPolarHBondContact O-CB 3.21Å; L128-M132 WeakPolarHBondContact O-CG 3.44Å; L128-M132 PolarHBondContact O-N 3.01Å
129	L	95.8	Very high	92	Very high	80 Å²	80	104.2 Å²	104.2	42%	0.419	52%	0.524	S	S	.	.	H	α-helix	trans	-65.5	-40.5	176.5	-163.3	124	0	0	0	111.2	F125 C126 G127 M132 L133	F125-L129 HydrophobicContact CE1-CD1 3.87Å; F125-L129 HydrophobicContact CZ-CD1 3.93Å; F125-L129 VanDerWaalsContact O-CB 3.26Å; F125-L129 WeakPolarHBondContact O-CB 3.32Å; F125-L129 PolarHBondContact O-N 3.45Å; C126-L129 PolarHBondContact O-N 2.97Å; G127-L129 VanDerWaalsContact C-N 3.34Å; G127-L129 PolarHBondContact O-N 3.5Å; L129-M132 PolarHBondContact O-N 3.32Å; L129-L133 HydrophobicContact CD2-CD1 3.68Å; L129-L133 HydrophobicContact CD2-CG 4.32Å; L129-L133 HydrophobicContact CG-CD1 4.48Å; L129-L133 WeakPolarHBondContact O-CB 3.23Å; L129-L133 VanDerWaalsContact O-CG 3.25Å; L129-L133 WeakPolarHBondContact O-CG 3.49Å; L129-L133 PolarHBondContact O-N 3.19Å
130	A	95	Very high	92	Very high	56 Å²	56	102.7 Å²	102.7	46%	0.463	52%	0.517	S	S	.	.	H	α-helix	trans	-63.6	-42.4	174.1	0	0	0	0	0	112	C126 G127 L133 F134	C126-A130 VanDerWaalsContact O-CB 3.31Å; C126-A130 WeakPolarHBondContact O-CB 3.44Å; C126-A130 PolarHBondContact O-N 3.4Å; G127-A130 PolarHBondContact O-N 2.86Å; A130-L133 PolarHBondContact O-N 3.16Å; A130-F134 VanDerWaalsContact O-CB 3.24Å; A130-F134 WeakPolarHBondContact O-CB 3.36Å; A130-F134 PolarHBondContact O-N 3.41Å
131	I	94.4	Very high	91.4	Very high	101 Å²	101	103.7 Å²	103.7	52%	0.518	51%	0.514	S	S	.	.	H	α-helix	trans	-62.4	-45	174.5	-67.8	165.3	0	0	0	110.4	G127 L128 F134 W135	G127-I131 WeakPolarHBondContact O-CG1 3.14Å; G127-I131 PolarHBondContact O-N 3.47Å; L128-I131 PolarHBondContact O-N 2.88Å; I131-F134 PolarHBondContact O-N 3.48Å; I131-W135 WeakPolarHBondContact O-CB 2.94Å; I131-W135 PolarHBondContact O-N 3.04Å
132	M	94.8	Very high	90.8	Very high	142 Å²	142	108.3 Å²	108.3	70%	0.7	52%	0.523	S	S	*	.	H	α-helix	trans	-61.6	-43.8	175.9	-81.9	-170.4	60.8	0	0	112.4	L128 L129 W135 K136	L128-M132 WeakPolarHBondContact O-CB 3.21Å; L128-M132 WeakPolarHBondContact O-CG 3.44Å; L128-M132 PolarHBondContact O-N 3.01Å; L129-M132 PolarHBondContact O-N 3.32Å; M132-W135 PolarHBondContact O-N 2.97Å; M132-K136 VanDerWaalsContact O-CB 3.25Å; M132-K136 WeakPolarHBondContact O-CB 3.34Å; M132-K136 PolarHBondContact O-N 3.14Å
133	L	95.1	Very high	89.8	Confident	98 Å²	98	106.4 Å²	106.4	51%	0.513	52%	0.518	S	S	.	.	H	α-helix	trans	-67.6	-39	177.4	-72.2	176.3	0	0	0	111.5	L129 A130 K136 Y137	L129-L133 HydrophobicContact CD2-CD1 3.68Å; L129-L133 HydrophobicContact CD2-CG 4.32Å; L129-L133 HydrophobicContact CG-CD1 4.48Å; L129-L133 WeakPolarHBondContact O-CB 3.23Å; L129-L133 VanDerWaalsContact O-CG 3.25Å; L129-L133 WeakPolarHBondContact O-CG 3.49Å; L129-L133 PolarHBondContact O-N 3.19Å; A130-L133 PolarHBondContact O-N 3.16Å; L133-K136 PolarHBondContact O-N 3.19Å; L133-Y137 VanDerWaalsContact O-CB 3.27Å; L133-Y137 WeakPolarHBondContact O-CB 3.38Å; L133-Y137 PolarHBondContact O-N 3.32Å
134	F	93.2	Very high	89	Confident	133 Å²	133	107.9 Å²	107.9	58%	0.583	52%	0.516	S	S	*	.	H	α-helix	trans	-63.7	-44.8	174.2	-177.3	-97.8	0	0	0	111.1	A130 I131 Y137 F138	A130-F134 VanDerWaalsContact O-CB 3.24Å; A130-F134 WeakPolarHBondContact O-CB 3.36Å; A130-F134 PolarHBondContact O-N 3.41Å; I131-F134 PolarHBondContact O-N 3.48Å; F134-Y137 PolarHBondContact O-N 3.13Å; F134-F138 VanDerWaalsContact O-CB 3.27Å; F134-F138 WeakPolarHBondContact O-CB 3.34Å; F134-F138 PolarHBondContact O-N 3.34Å
135	W	84.8	Confident	87.9	Confident	176 Å²	176	106.2 Å²	106.2	67%	0.667	51%	0.507	S	S	*	.	H	α-helix	trans	-62.8	-44	173.3	-94	58.8	0	0	0	111.6	I131 M132 Y137 F138 L139	I131-W135 WeakPolarHBondContact O-CB 2.94Å; I131-W135 PolarHBondContact O-N 3.04Å; M132-W135 PolarHBondContact O-N 2.97Å; W135-Y137 PolarHBondContact O-N 2.92Å; W135-F138 PolarHBondContact O-N 3.14Å; W135-L139 VanDerWaalsContact O-CB 3.31Å; W135-L139 WeakPolarHBondContact O-CB 3.29Å; W135-L139 PolarHBondContact O-N 3.18Å
136	K	90.1	Very high	86.3	Confident	150 Å²	150	106.6 Å²	106.6	65%	0.652	51%	0.506	S	S	*	.	H	α-helix	trans	-63.1	-41.5	176.5	-171	178.6	-178.7	178.7	0	111.5	M132 L133 K140	M132-K136 VanDerWaalsContact O-CB 3.25Å; M132-K136 WeakPolarHBondContact O-CB 3.34Å; M132-K136 PolarHBondContact O-N 3.14Å; L133-K136 PolarHBondContact O-N 3.19Å; K136-K140 WeakPolarHBondContact O-CB 3.35Å; K136-K140 PolarHBondContact O-N 2.67Å
137	Y	91.8	Very high	84.8	Confident	133 Å²	133	107.7 Å²	107.7	52%	0.522	51%	0.508	S	S	.	.	H	α-helix	trans	-63.9	-45.5	173.9	174.1	-98.9	0	0	0	111.1	L133 F134 W135 K140 K141	L133-Y137 VanDerWaalsContact O-CB 3.27Å; L133-Y137 WeakPolarHBondContact O-CB 3.38Å; L133-Y137 PolarHBondContact O-N 3.32Å; F134-Y137 PolarHBondContact O-N 3.13Å; W135-Y137 PolarHBondContact O-N 2.92Å; Y137-K140 PolarHBondContact O-N 3.17Å; Y137-K141 HydrophobicContact CE1-CD 3.94Å; Y137-K141 VanDerWaalsContact O-CB 3.26Å; Y137-K141 WeakPolarHBondContact O-CB 3.29Å; Y137-K141 PolarHBondContact O-N 3.36Å; Y137-K141 PolarHBondContact OH-NZ 3.31Å
138	F	86.8	Confident	83.3	Confident	113 Å²	113	113 Å²	113	50%	0.496	52%	0.519	S	S	.	.	H	α-helix	trans	-66	-43.1	178.8	-171.2	-94.6	0	0	0	111.8	F134 W135 K141 R142	F134-F138 VanDerWaalsContact O-CB 3.27Å; F134-F138 WeakPolarHBondContact O-CB 3.34Å; F134-F138 PolarHBondContact O-N 3.34Å; W135-F138 PolarHBondContact O-N 3.14Å; F138-K141 PolarHBondContact O-N 3.05Å; F138-R142 WeakPolarHBondContact O-CB 3.34Å; F138-R142 PolarHBondContact O-N 2.66Å
139	L	78.6	Confident	81.5	Confident	94 Å²	94	112.9 Å²	112.9	49%	0.492	51%	0.512	S	S	.	.	H	α-helix	trans	-62.2	-46.9	173.7	-129.7	79.7	0	0	0	110.4	W135 R142 I143	W135-L139 VanDerWaalsContact O-CB 3.31Å; W135-L139 WeakPolarHBondContact O-CB 3.29Å; W135-L139 PolarHBondContact O-N 3.18Å; L139-R142 PolarHBondContact O-N 2.88Å; L139-I143 WeakPolarHBondContact O-CB 3.47Å; L139-I143 VanDerWaalsContact O-CG1 3.25Å; L139-I143 WeakPolarHBondContact O-CG1 3.22Å; L139-I143 PolarHBondContact O-N 3.02Å
140	K	85.5	Confident	79.4	Confident	125 Å²	125	110.9 Å²	110.9	54%	0.543	50%	0.503	S	S	.	.	H	α-helix	trans	-60.1	-47.5	176.9	-179.7	173.4	172.2	176.1	0	111	K136 Y137 R142 I143 E144	K136-K140 WeakPolarHBondContact O-CB 3.35Å; K136-K140 PolarHBondContact O-N 2.67Å; Y137-K140 PolarHBondContact O-N 3.17Å; K140-R142 VanDerWaalsContact C-N 3.3Å; K140-R142 PolarHBondContact O-N 2.96Å; K140-I143 CarbonylContact O-C 3.57Å; K140-I143 PolarHBondContact O-N 3.35Å; K140-E144 WeakPolarHBondContact CE-OE1 3.19Å; K140-E144 HydrophobicContact CG-CG 4.31Å; K140-E144 IonicContact NZ-OE1 3.68Å; K140-E144 WeakPolarHBondContact O-CB 2.92Å; K140-E144 VanDerWaalsContact O-CG 3.29Å; K140-E144 WeakPolarHBondContact O-CG 3.23Å; K140-E144 PolarHBondContact O-N 3.27Å
141	K	80.1	Confident	77.2	Confident	95 Å²	95	112.9 Å²	112.9	41%	0.413	51%	0.506	S	S	.	.	H	α-helix	trans	-65.2	-33.8	177.7	-166.6	170.6	-170.4	170.1	0	112.2	Y137 F138 N145	Y137-K141 HydrophobicContact CE1-CD 3.94Å; Y137-K141 VanDerWaalsContact O-CB 3.26Å; Y137-K141 WeakPolarHBondContact O-CB 3.29Å; Y137-K141 PolarHBondContact O-N 3.36Å; Y137-K141 PolarHBondContact OH-NZ 3.31Å; F138-K141 PolarHBondContact O-N 3.05Å; K141-N145 VanDerWaalsContact O-CB 3.24Å; K141-N145 WeakPolarHBondContact O-CB 3.38Å; K141-N145 PolarHBondContact O-N 3.41Å; K141-N145 PolarHBondContact O-ND2 3.4Å
142	R	76.3	Confident	75.2	Confident	172 Å²	172	114 Å²	114	65%	0.649	51%	0.509	S	S	*	.	H	α-helix	trans	-70	-41.8	174.1	-173.6	176	177.9	151	-1.4	111.6	F138 L139 K140 N145 Y146	F138-R142 WeakPolarHBondContact O-CB 3.34Å; F138-R142 PolarHBondContact O-N 2.66Å; L139-R142 PolarHBondContact O-N 2.88Å; K140-R142 VanDerWaalsContact C-N 3.3Å; K140-R142 PolarHBondContact O-N 2.96Å; R142-N145 PolarHBondContact O-N 3.45Å; R142-Y146 VanDerWaalsContact O-CB 3.3Å; R142-Y146 WeakPolarHBondContact O-CB 3.23Å; R142-Y146 PolarHBondContact O-N 3.02Å
143	I	71.9	Confident	73	Confident	89 Å²	89	110.1 Å²	110.1	46%	0.456	49%	0.491	S	S	.	.	H	α-helix	trans	-65	-46.3	173	-68	164.9	0	0	0	109.5	L139 K140 N145 Y146 D147	L139-I143 WeakPolarHBondContact O-CB 3.47Å; L139-I143 VanDerWaalsContact O-CG1 3.25Å; L139-I143 WeakPolarHBondContact O-CG1 3.22Å; L139-I143 PolarHBondContact O-N 3.02Å; K140-I143 CarbonylContact O-C 3.57Å; K140-I143 PolarHBondContact O-N 3.35Å; I143-N145 PolarHBondContact O-N 3.49Å; I143-Y146 CarbonylContact O-C 3.54Å; I143-Y146 WeakPolarHBondContact O-CA 3.41Å; I143-Y146 WeakPolarHBondContact O-CB 3.3Å; I143-Y146 PolarHBondContact O-N 3.01Å; I143-Y146 VanDerWaalsContact O-N 3.12Å; I143-D147 WeakPolarHBondContact O-CB 3.47Å; I143-D147 PolarHBondContact O-N 3.45Å
144	E	77	Confident	70.2	Confident	83 Å²	83	107.3 Å²	107.3	39%	0.388	48%	0.48	S	S	.	.	H	α-helix	trans	-62.6	-38	175.8	-75.7	173.5	177.3	0	0	112.6	K140 R148	K140-E144 WeakPolarHBondContact CE-OE1 3.19Å; K140-E144 HydrophobicContact CG-CG 4.31Å; K140-E144 IonicContact NZ-OE1 3.68Å; K140-E144 WeakPolarHBondContact O-CB 2.92Å; K140-E144 VanDerWaalsContact O-CG 3.29Å; K140-E144 WeakPolarHBondContact O-CG 3.23Å; K140-E144 PolarHBondContact O-N 3.27Å; E144-R148 WeakPolarHBondContact O-CA 3.41Å; E144-R148 WeakPolarHBondContact O-CB 2.93Å; E144-R148 PolarHBondContact O-N 3.42Å
145	N	72.3	Confident	67.4	Low	86 Å²	86	111.2 Å²	111.2	46%	0.46	49%	0.492	S	S	.	.	H	α-helix	trans	-69.7	-36.2	174	-78.7	-12.4	0	0	0	111.3	K141 R142 I143 Y149	K141-N145 VanDerWaalsContact O-CB 3.24Å; K141-N145 WeakPolarHBondContact O-CB 3.38Å; K141-N145 PolarHBondContact O-N 3.41Å; K141-N145 PolarHBondContact O-ND2 3.4Å; R142-N145 PolarHBondContact O-N 3.45Å; I143-N145 PolarHBondContact O-N 3.49Å; N145-Y149 WeakPolarHBondContact O-CB 3.2Å; N145-Y149 PolarHBondContact O-N 3.05Å
146	Y	63.2	Low	65.2	Low	133 Å²	133	111.4 Å²	111.4	52%	0.522	50%	0.498	S	S	.	.	H	α-helix	trans	-68.2	-45.8	173.6	-177.7	-98.1	0	0	0	111.1	R142 I143 Y149 V150	R142-Y146 VanDerWaalsContact O-CB 3.3Å; R142-Y146 WeakPolarHBondContact O-CB 3.23Å; R142-Y146 PolarHBondContact O-N 3.02Å; I143-Y146 CarbonylContact O-C 3.54Å; I143-Y146 WeakPolarHBondContact O-CA 3.41Å; I143-Y146 WeakPolarHBondContact O-CB 3.3Å; I143-Y146 PolarHBondContact O-N 3.01Å; I143-Y146 VanDerWaalsContact O-N 3.12Å; Y146-Y149 CarbonylContact O-C 3.58Å; Y146-Y149 WeakPolarHBondContact O-CB 3.16Å; Y146-Y149 PolarHBondContact O-N 3.03Å; Y146-V150 HydrophobicContact CD1-CG2 3.98Å; Y146-V150 HydrophobicContact CE1-CG2 3.64Å; Y146-V150 HydrophobicContact CE2-CG2 4.28Å; Y146-V150 HydrophobicContact CG-CG2 4.45Å; Y146-V150 VanDerWaalsContact O-CB 3.31Å; Y146-V150 WeakPolarHBondContact O-CB 3.4Å; Y146-V150 WeakPolarHBondContact O-CG2 3.31Å; Y146-V150 PolarHBondContact O-N 2.83Å
147	D	63.6	Low	62.7	Low	74 Å²	74	109.7 Å²	109.7	40%	0.396	49%	0.487	S	S	.	.	H	α-helix	trans	-65.3	-39.3	175.7	-74.2	-13.8	0	0	0	110.6	I143 V150 N151	I143-D147 WeakPolarHBondContact O-CB 3.47Å; I143-D147 PolarHBondContact O-N 3.45Å; D147-V150 CarbonylContact O-C 3.3Å; D147-V150 PolarHBondContact O-N 3.38Å; D147-N151 WeakPolarHBondContact O-CA 3.2Å; D147-N151 WeakPolarHBondContact O-CB 3.45Å; D147-N151 PolarHBondContact O-N 3.39Å; D147-N151 PolarHBondContact O-ND2 3.45Å
148	R	63.9	Low	60.3	Low	143 Å²	143	107.1 Å²	107.1	54%	0.54	49%	0.487	S	S	.	.	H	α-helix	trans	-66.2	-41.3	172.9	-170.6	-173	-50.3	-161.4	0.8	111.2	E144 N151 E152	E144-R148 WeakPolarHBondContact O-CA 3.41Å; E144-R148 WeakPolarHBondContact O-CB 2.93Å; E144-R148 PolarHBondContact O-N 3.42Å; R148-N151 PolarHBondContact O-N 3.24Å; R148-E152 HydrophobicContact CG-CG 4.33Å; R148-E152 VanDerWaalsContact O-CB 3.25Å; R148-E152 WeakPolarHBondContact O-CB 3.01Å; R148-E152 WeakPolarHBondContact O-CG 3.39Å; R148-E152 PolarHBondContact O-N 2.66Å
149	Y	57.6	Low	58.4	Low	94 Å²	94	106.1 Å²	106.1	37%	0.369	49%	0.493	S	S	.	.	H	α-helix	trans	-62.9	-46.7	173.2	174.4	-102.3	0	0	0	111.1	N145 Y146 N151 L153	N145-Y149 WeakPolarHBondContact O-CB 3.2Å; N145-Y149 PolarHBondContact O-N 3.05Å; Y146-Y149 CarbonylContact O-C 3.58Å; Y146-Y149 WeakPolarHBondContact O-CB 3.16Å; Y146-Y149 PolarHBondContact O-N 3.03Å; Y149-N151 VanDerWaalsContact C-N 3.33Å; Y149-N151 PolarHBondContact O-N 3.36Å; Y149-L153 HydrophobicContact CD1-CD1 4.24Å; Y149-L153 HydrophobicContact CD2-CD1 3.88Å; Y149-L153 HydrophobicContact CE1-CD1 3.94Å; Y149-L153 HydrophobicContact CE2-CD1 3.54Å; Y149-L153 HydrophobicContact CG-CD1 4.22Å; Y149-L153 WeakPolarHBondContact O-CB 3.34Å; Y149-L153 WeakPolarHBondContact O-CD1 3.33Å; Y149-L153 PolarHBondContact O-N 3.19Å
150	V	51.9	Low	57	Low	38 Å²	38	104.9 Å²	104.9	23%	0.23	48%	0.484	C	S	.	.	H	α-helix	trans	-63.2	-39.1	175.6	169.7	0	0	0	0	110.6	Y146 D147 L153 S154	Y146-V150 HydrophobicContact CD1-CG2 3.98Å; Y146-V150 HydrophobicContact CE1-CG2 3.64Å; Y146-V150 HydrophobicContact CE2-CG2 4.28Å; Y146-V150 HydrophobicContact CG-CG2 4.45Å; Y146-V150 VanDerWaalsContact O-CB 3.31Å; Y146-V150 WeakPolarHBondContact O-CB 3.4Å; Y146-V150 WeakPolarHBondContact O-CG2 3.31Å; Y146-V150 PolarHBondContact O-N 2.83Å; D147-V150 CarbonylContact O-C 3.3Å; D147-V150 PolarHBondContact O-N 3.38Å; V150-L153 CarbonylContact O-C 3.48Å; V150-L153 PolarHBondContact O-N 2.86Å; V150-S154 WeakPolarHBondContact O-CA 3.25Å; V150-S154 WeakPolarHBondContact O-CB 3.47Å; V150-S154 PolarHBondContact O-N 3.04Å
151	N	49.5	Very low	55.5	Low	98 Å²	98	101 Å²	101	52%	0.524	47%	0.471	S	S	.	.	H	α-helix	trans	-79.7	-33.3	-178.8	-74	-28.2	0	0	0	112.7	D147 R148 Y149 L153 S154 Y155	D147-N151 WeakPolarHBondContact O-CA 3.2Å; D147-N151 WeakPolarHBondContact O-CB 3.45Å; D147-N151 PolarHBondContact O-N 3.39Å; D147-N151 PolarHBondContact O-ND2 3.45Å; R148-N151 PolarHBondContact O-N 3.24Å; Y149-N151 VanDerWaalsContact C-N 3.33Å; Y149-N151 PolarHBondContact O-N 3.36Å; N151-L153 VanDerWaalsContact C-N 3.3Å; N151-S154 CarbonylContact O-C 3.29Å; N151-S154 PolarHBondContact O-N 2.63Å; N151-S154 VanDerWaalsContact O-N 3.17Å; N151-Y155 WeakPolarHBondContact O-CB 3.42Å; N151-Y155 PolarHBondContact O-N 2.78Å
152	E	52.4	Low	54.4	Low	125 Å²	125	99.2 Å²	99.2	58%	0.584	47%	0.468	S	S	*	.	H	α-helix	trans	-66.4	-37.8	168.9	-80.1	179	-178.4	0	0	109.9	R148 K156	R148-E152 HydrophobicContact CG-CG 4.33Å; R148-E152 VanDerWaalsContact O-CB 3.25Å; R148-E152 WeakPolarHBondContact O-CB 3.01Å; R148-E152 WeakPolarHBondContact O-CG 3.39Å; R148-E152 PolarHBondContact O-N 2.66Å; E152-K156 PolarHBondContact O-N 3.45Å
153	L	46.6	Very low	53.7	Low	61 Å²	61	95.7 Å²	95.7	32%	0.319	46%	0.463	S	S	.	.	H	α-helix	trans	-69.2	-33.8	167.1	-93	101.9	0	0	0	113	Y149 V150 N151 K156 R157 P282	Y149-L153 HydrophobicContact CD1-CD1 4.24Å; Y149-L153 HydrophobicContact CD2-CD1 3.88Å; Y149-L153 HydrophobicContact CE1-CD1 3.94Å; Y149-L153 HydrophobicContact CE2-CD1 3.54Å; Y149-L153 HydrophobicContact CG-CD1 4.22Å; Y149-L153 WeakPolarHBondContact O-CB 3.34Å; Y149-L153 WeakPolarHBondContact O-CD1 3.33Å; Y149-L153 PolarHBondContact O-N 3.19Å; V150-L153 CarbonylContact O-C 3.48Å; V150-L153 PolarHBondContact O-N 2.86Å; N151-L153 VanDerWaalsContact C-N 3.3Å; L153-K156 CarbonylContact O-C 3.57Å; L153-K156 PolarHBondContact O-N 2.89Å; L153-R157 PolarHBondContact O-N 3.29Å; L153-P282 HydrophobicContact CD2-CB 3.27Å; L153-P282 HydrophobicContact CD2-CG 3.53Å
154	S	38.2	Very low	53.2	Low	39 Å²	39	91.8 Å²	91.8	27%	0.273	44%	0.442	S	S	.	.	H	α-helix	trans	-80.4	-22.9	-179.4	-151.9	0	0	0	0	112.5	V150 N151 K156 R157	V150-S154 WeakPolarHBondContact O-CA 3.25Å; V150-S154 WeakPolarHBondContact O-CB 3.47Å; V150-S154 PolarHBondContact O-N 3.04Å; N151-S154 CarbonylContact O-C 3.29Å; N151-S154 PolarHBondContact O-N 2.63Å; N151-S154 VanDerWaalsContact O-N 3.17Å; S154-K156 VanDerWaalsContact C-N 3.31Å; S154-R157 WeakPolarHBondContact O-CB 3.47Å; S154-R157 PolarHBondContact O-N 2.92Å; S154-R157 WeakPolarHBondContact OG-CD 3.4Å; S154-R157 PolarHBondContact OG-NH1 3.46Å
155	Y	33.6	Very low	52.5	Low	214 Å²	214	90.9 Å²	90.9	84%	0.839	44%	0.436	S	S	*	.	H	α-helix	trans	-75.9	-26.9	169.6	-171.4	-97.5	0	0	0	110.5	N151	N151-Y155 WeakPolarHBondContact O-CB 3.42Å; N151-Y155 PolarHBondContact O-N 2.78Å
156	K	38.5	Very low	52.1	Low	180 Å²	180	90.8 Å²	90.8	78%	0.783	44%	0.435	S	S	*	.	S	Bend	trans	-87.5	-3.4	164.1	-75.3	-172.6	177.3	-177.7	0	114	E152 L153 S154 P158	E152-K156 PolarHBondContact O-N 3.45Å; L153-K156 CarbonylContact O-C 3.57Å; L153-K156 PolarHBondContact O-N 2.89Å; S154-K156 VanDerWaalsContact C-N 3.31Å; K156-P158 WeakPolarHBondContact O-CD 3.48Å
157	R	37.2	Very low	52.2	Low	115 Å²	115	87 Å²	87	43%	0.434	42%	0.42	S	S	.	.	S	Bend	trans	-72.3	124	169.7	-83	-179.7	-174.4	146.4	-7.3	106.6	L153 S154 S159	L153-R157 PolarHBondContact O-N 3.29Å; S154-R157 WeakPolarHBondContact O-CB 3.47Å; S154-R157 PolarHBondContact O-N 2.92Å; S154-R157 WeakPolarHBondContact OG-CD 3.4Å; S154-R157 PolarHBondContact OG-NH1 3.46Å; R157-S159 PolarHBondContact O-N 3.15Å; R157-S159 VanDerWaalsContact O-N 3.17Å
158	P	40.9	Very low	52.3	Low	79 Å²	79	83.9 Å²	83.9	51%	0.513	40%	0.404	S	S	.	.			trans	-59	127.5	159.3	27.4	-29.7	0	0	0	106.5	K156 F160 T161	K156-P158 WeakPolarHBondContact O-CD 3.48Å; P158-F160 HydrophobicContact CB-CB 3.74Å; P158-F160 HydrophobicContact CG-CB 4.08Å; P158-F160 WeakPolarHBondContact O-CB 3.22Å; P158-F160 PolarHBondContact O-N 2.75Å; P158-T161 PolarHBondContact O-N 3Å
159	S	46.6	Very low	52.4	Low	91 Å²	91	79.4 Å²	79.4	64%	0.636	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-35.1	-42.4	173.7	39.3	0	0	0	0	112.5	R157 T161 T162	R157-S159 PolarHBondContact O-N 3.15Å; R157-S159 VanDerWaalsContact O-N 3.17Å; S159-T161 PolarHBondContact O-N 2.86Å; S159-T161 VanDerWaalsContact O-N 3.1Å; S159-T162 WeakPolarHBondContact O-CB 3.27Å; S159-T162 PolarHBondContact O-N 2.86Å
160	F	50.6	Low	52.8	Low	68 Å²	68	80.8 Å²	80.8	30%	0.298	40%	0.398	S	S	.	.	H	α-helix	trans	-13.7	-59.8	160.5	-164.2	-87.9	0	0	0	119.3	P158 T162 D163 I164 E252	P158-F160 HydrophobicContact CB-CB 3.74Å; P158-F160 HydrophobicContact CG-CB 4.08Å; P158-F160 WeakPolarHBondContact O-CB 3.22Å; P158-F160 PolarHBondContact O-N 2.75Å; F160-T162 PolarHBondContact O-N 3.33Å; F160-D163 PolarHBondContact O-N 2.97Å; F160-I164 HydrophobicContact CD1-CD1 4.3Å; F160-I164 HydrophobicContact CE1-CD1 3.86Å; F160-I164 HydrophobicContact CZ-CD1 4.46Å; F160-I164 PolarHBondContact O-N 3.32Å; F160-E252 WeakPolarHBondContact CD2-OE1 3.49Å; F160-E252 HydrophobicContact CE1-CB 4.26Å; F160-E252 HydrophobicContact CE1-CG 4.46Å; F160-E252 HydrophobicContact CE2-CB 4.41Å; F160-E252 HydrophobicContact CE2-CG 4.08Å; F160-E252 WeakPolarHBondContact CE2-OE1 3.25Å; F160-E252 WeakPolarHBondContact CE2-OE2 3.45Å; F160-E252 HydrophobicContact CZ-CB 3.75Å; F160-E252 HydrophobicContact CZ-CG 3.88Å; F160-E252 WeakPolarHBondContact CZ-OE2 3.08Å
161	T	53.2	Low	53.2	Low	44 Å²	44	79.8 Å²	79.8	27%	0.27	39%	0.392	S	S	.	.	H	α-helix	trans	-68.4	-27	-173.3	51.6	0	0	0	0	112.4	P158 S159 Y165	P158-T161 PolarHBondContact O-N 3Å; S159-T161 PolarHBondContact O-N 2.86Å; S159-T161 VanDerWaalsContact O-N 3.1Å; T161-Y165 WeakPolarHBondContact O-CB 3.39Å; T161-Y165 PolarHBondContact O-N 3.27Å
162	T	58.2	Low	53.5	Low	58 Å²	58	77.9 Å²	77.9	36%	0.356	39%	0.386	S	S	.	.	H	α-helix	trans	-75.6	-35.9	179.4	-50.6	0	0	0	0	110.8	S159 F160 Y165 N166	S159-T162 WeakPolarHBondContact O-CB 3.27Å; S159-T162 PolarHBondContact O-N 2.86Å; F160-T162 PolarHBondContact O-N 3.33Å; T162-Y165 PolarHBondContact O-N 3.37Å; T162-N166 WeakPolarHBondContact CG2-ND2 3.41Å; T162-N166 VanDerWaalsContact O-CB 3.26Å; T162-N166 WeakPolarHBondContact O-CB 3.3Å; T162-N166 PolarHBondContact O-N 2.79Å; T162-N166 PolarHBondContact O-ND2 3.16Å
163	D	60.6	Low	53.6	Low	98 Å²	98	77.9 Å²	77.9	52%	0.524	39%	0.386	S	S	.	.	H	α-helix	trans	-67.8	-48.5	-177.2	-63.2	-31.7	0	0	0	112	F160 Y165 N166 Y167	F160-D163 PolarHBondContact O-N 2.97Å; D163-Y165 VanDerWaalsContact C-N 3.33Å; D163-Y165 PolarHBondContact O-N 3.41Å; D163-N166 PolarHBondContact O-N 2.92Å; D163-Y167 VanDerWaalsContact O-CB 3.29Å; D163-Y167 WeakPolarHBondContact O-CB 3.26Å; D163-Y167 PolarHBondContact O-N 3.06Å
164	I	62.3	Low	54	Low	6 Å²	6	79.2 Å²	79.2	3%	0.031	39%	0.391	C	S	.	.	H	α-helix	trans	-61.8	-45.6	174.4	-59.3	170.2	0	0	0	110	F160 N166 Y167 L168 E252	F160-I164 HydrophobicContact CD1-CD1 4.3Å; F160-I164 HydrophobicContact CE1-CD1 3.86Å; F160-I164 HydrophobicContact CZ-CD1 4.46Å; F160-I164 PolarHBondContact O-N 3.32Å; I164-N166 PolarHBondContact O-N 2.85Å; I164-Y167 PolarHBondContact O-N 3.04Å; I164-L168 HydrophobicContact CG2-CD1 3.72Å; I164-L168 HydrophobicContact CG2-CG 4.04Å; I164-L168 WeakPolarHBondContact O-CB 3.33Å; I164-L168 VanDerWaalsContact O-CG 3.28Å; I164-L168 WeakPolarHBondContact O-CG 3.49Å; I164-L168 PolarHBondContact O-N 3.5Å; I164-E252 HydrophobicContact CD1-CB 3.33Å; I164-E252 HydrophobicContact CD1-CG 3.58Å; I164-E252 HydrophobicContact CG1-CB 4.02Å; I164-E252 HydrophobicContact CG1-CG 3.78Å
165	Y	61.3	Low	54.4	Low	64 Å²	64	82.6 Å²	82.6	25%	0.251	40%	0.402	S	S	.	.	H	α-helix	trans	-61.2	-45.8	-178.1	176.8	-105.8	0	0	0	111.5	T161 T162 D163 Y167 L168 L169 R280	T161-Y165 WeakPolarHBondContact O-CB 3.39Å; T161-Y165 PolarHBondContact O-N 3.27Å; T162-Y165 PolarHBondContact O-N 3.37Å; D163-Y165 VanDerWaalsContact C-N 3.33Å; D163-Y165 PolarHBondContact O-N 3.41Å; Y165-Y167 VanDerWaalsContact C-N 3.34Å; Y165-L168 PolarHBondContact O-N 3.1Å; Y165-L169 HydrophobicContact CD1-CD1 3.67Å; Y165-L169 HydrophobicContact CE1-CD1 3.06Å; Y165-L169 HydrophobicContact CE1-CG 4.08Å; Y165-L169 HydrophobicContact CE2-CD1 4.07Å; Y165-L169 HydrophobicContact CE2-CG 4.24Å; Y165-L169 HydrophobicContact CG-CD1 4.4Å; Y165-L169 VanDerWaalsContact O-CB 3.3Å; Y165-L169 WeakPolarHBondContact O-CB 3.15Å; Y165-L169 PolarHBondContact O-N 3.33Å; Y165-L169 WeakPolarHBondContact OH-CD1 3.42Å; Y165-R280 VanDerWaalsContact CZ-CZ 3.48Å; Y165-R280 VanDerWaalsContact CZ-NH1 3.31Å; Y165-R280 PolarHBondContact OH-NH1 3.44Å; Y165-R280 PolarHBondContact OH-NH2 3.34Å
166	N	64.5	Low	54.7	Low	84 Å²	84	80.4 Å²	80.4	45%	0.449	40%	0.397	S	S	.	.	H	α-helix	trans	-65.9	-36.3	175.7	-71.7	-19.6	0	0	0	112	T162 D163 I164 L169 K170	T162-N166 WeakPolarHBondContact CG2-ND2 3.41Å; T162-N166 VanDerWaalsContact O-CB 3.26Å; T162-N166 WeakPolarHBondContact O-CB 3.3Å; T162-N166 PolarHBondContact O-N 2.79Å; T162-N166 PolarHBondContact O-ND2 3.16Å; D163-N166 PolarHBondContact O-N 2.92Å; I164-N166 PolarHBondContact O-N 2.85Å; N166-L169 WeakPolarHBondContact O-CB 3.46Å; N166-K170 WeakPolarHBondContact O-CB 3.16Å; N166-K170 PolarHBondContact O-N 3.04Å
167	Y	65.3	Low	54.6	Low	53 Å²	53	76.2 Å²	76.2	21%	0.208	39%	0.39	C	S	.	.	H	α-helix	trans	-65.6	-46.5	174.9	176.9	-105.7	0	0	0	112.2	D163 I164 Y165 K170 L171 H229 Q250	D163-Y167 VanDerWaalsContact O-CB 3.29Å; D163-Y167 WeakPolarHBondContact O-CB 3.26Å; D163-Y167 PolarHBondContact O-N 3.06Å; I164-Y167 PolarHBondContact O-N 3.04Å; Y165-Y167 VanDerWaalsContact C-N 3.34Å; Y167-K170 WeakPolarHBondContact O-CB 3.38Å; Y167-K170 PolarHBondContact O-N 3.33Å; Y167-L171 HydrophobicContact CD1-CD1 4.01Å; Y167-L171 HydrophobicContact CE1-CD1 3.33Å; Y167-L171 HydrophobicContact CE1-CG 4.01Å; Y167-L171 HydrophobicContact CE2-CD1 4.45Å; Y167-L171 HydrophobicContact CE2-CD2 4.48Å; Y167-L171 HydrophobicContact CE2-CG 4.28Å; Y167-L171 WeakPolarHBondContact O-CG 3.35Å; Y167-L171 PolarHBondContact O-N 3.49Å; Y167-H229 PolarHBondContact OH-CE1 3.24Å; Y167-H229 VanDerWaalsContact OH-CE1 3.24Å; Y167-H229 PolarHBondContact OH-ND1 3.1Å; Y167-H229 VanDerWaalsContact OH-ND1 3.13Å; Y167-Q250 VanDerWaalsContact CD1-CD 3.42Å; Y167-Q250 HydrophobicContact CD1-CG 4.29Å; Y167-Q250 VanDerWaalsContact CD1-OE1 3.26Å; Y167-Q250 HydrophobicContact CE1-CG 3.96Å; Y167-Q250 VanDerWaalsContact CG-OE1 3.31Å; Y167-Q250 PolarHBondContact OH-NE2 3.16Å
168	L	66.1	Low	54.6	Low	9 Å²	9	78.5 Å²	78.5	5%	0.047	41%	0.411	C	S	.	.	H	α-helix	trans	-66.6	-37.2	177.1	-67.6	179.3	0	0	0	111.9	I164 Y165 L171 S172 V226 Y288 A289	I164-L168 HydrophobicContact CG2-CD1 3.72Å; I164-L168 HydrophobicContact CG2-CG 4.04Å; I164-L168 WeakPolarHBondContact O-CB 3.33Å; I164-L168 VanDerWaalsContact O-CG 3.28Å; I164-L168 WeakPolarHBondContact O-CG 3.49Å; I164-L168 PolarHBondContact O-N 3.5Å; Y165-L168 PolarHBondContact O-N 3.1Å; L168-L171 HydrophobicContact CD2-CD1 4.25Å; L168-L171 PolarHBondContact O-N 2.98Å; L168-S172 PolarHBondContact O-N 2.6Å; L168-V226 HydrophobicContact CD2-CB 4.27Å; L168-V226 HydrophobicContact CD2-CG1 3.46Å; L168-V226 VanDerWaalsContact CD2-CG1 3.46Å; L168-V226 HydrophobicContact CD2-CG2 3.87Å; L168-Y288 HydrophobicContact CD1-CG 4.4Å; L168-A289 HydrophobicContact CD1-CB 4.46Å
169	L	66	Low	54.1	Low	50 Å²	50	83.5 Å²	83.5	26%	0.262	42%	0.42	S	S	.	.	H	α-helix	trans	-58	-50.2	169.4	-99.7	164	0	0	0	111.2	Y165 N166 L171 S172 E173	Y165-L169 HydrophobicContact CD1-CD1 3.67Å; Y165-L169 HydrophobicContact CE1-CD1 3.06Å; Y165-L169 HydrophobicContact CE1-CG 4.08Å; Y165-L169 HydrophobicContact CE2-CD1 4.07Å; Y165-L169 HydrophobicContact CE2-CG 4.24Å; Y165-L169 HydrophobicContact CG-CD1 4.4Å; Y165-L169 VanDerWaalsContact O-CB 3.3Å; Y165-L169 WeakPolarHBondContact O-CB 3.15Å; Y165-L169 PolarHBondContact O-N 3.33Å; Y165-L169 WeakPolarHBondContact OH-CD1 3.42Å; N166-L169 WeakPolarHBondContact O-CB 3.46Å; L169-L171 VanDerWaalsContact C-N 3.29Å; L169-L171 PolarHBondContact O-N 3.47Å; L169-S172 WeakPolarHBondContact CA-OG 3.39Å; L169-S172 CarbonylContact O-C 3.59Å; L169-S172 WeakPolarHBondContact O-CA 3.32Å; L169-S172 WeakPolarHBondContact O-CB 3.38Å; L169-S172 PolarHBondContact O-N 3.36Å; L169-S172 PolarHBondContact O-OG 3.29Å; L169-E173 PolarHBondContact O-N 2.73Å
170	K	64.4	Low	53.3	Low	123 Å²	123	88.5 Å²	88.5	54%	0.535	43%	0.43	S	S	.	.	H	α-helix	trans	-58.2	-43.1	178	-173.1	179.2	178.5	-178.1	0	111.3	N166 Y167 S172 E173 E174	N166-K170 WeakPolarHBondContact O-CB 3.16Å; N166-K170 PolarHBondContact O-N 3.04Å; Y167-K170 WeakPolarHBondContact O-CB 3.38Å; Y167-K170 PolarHBondContact O-N 3.33Å; K170-S172 VanDerWaalsContact C-N 3.31Å; K170-S172 PolarHBondContact O-N 2.66Å; K170-E173 PolarHBondContact O-N 3.42Å; K170-E174 VanDerWaalsContact CE-OE1 3.3Å; K170-E174 WeakPolarHBondContact CE-OE1 3.3Å; K170-E174 VanDerWaalsContact O-CG 3.3Å; K170-E174 WeakPolarHBondContact O-CG 3.35Å; K170-E174 PolarHBondContact O-N 3.07Å
171	L	60.3	Low	52.2	Low	17 Å²	17	93.6 Å²	93.6	9%	0.089	46%	0.46	C	S	.	.	H	α-helix	trans	-61	-39.1	173.2	-72.3	178	0	0	0	112.2	Y167 L168 L169 Q175 V226	Y167-L171 HydrophobicContact CD1-CD1 4.01Å; Y167-L171 HydrophobicContact CE1-CD1 3.33Å; Y167-L171 HydrophobicContact CE1-CG 4.01Å; Y167-L171 HydrophobicContact CE2-CD1 4.45Å; Y167-L171 HydrophobicContact CE2-CD2 4.48Å; Y167-L171 HydrophobicContact CE2-CG 4.28Å; Y167-L171 WeakPolarHBondContact O-CG 3.35Å; Y167-L171 PolarHBondContact O-N 3.49Å; L168-L171 HydrophobicContact CD2-CD1 4.25Å; L168-L171 PolarHBondContact O-N 2.98Å; L169-L171 VanDerWaalsContact C-N 3.29Å; L169-L171 PolarHBondContact O-N 3.47Å; L171-Q175 WeakPolarHBondContact O-CG 3.1Å; L171-Q175 PolarHBondContact O-N 2.68Å; L171-V226 HydrophobicContact CB-CG2 4.45Å; L171-V226 HydrophobicContact CD1-CG2 4.22Å
172	S	55.8	Low	50.9	Low	57 Å²	57	96.5 Å²	96.5	40%	0.399	48%	0.482	S	S	.	.	H	α-helix	trans	-71.7	-36	177.7	76.9	0	0	0	0	113.2	L168 L169 K170 Q175 F176	L168-S172 PolarHBondContact O-N 2.6Å; L169-S172 WeakPolarHBondContact CA-OG 3.39Å; L169-S172 CarbonylContact O-C 3.59Å; L169-S172 WeakPolarHBondContact O-CA 3.32Å; L169-S172 WeakPolarHBondContact O-CB 3.38Å; L169-S172 PolarHBondContact O-N 3.36Å; L169-S172 PolarHBondContact O-OG 3.29Å; K170-S172 VanDerWaalsContact C-N 3.31Å; K170-S172 PolarHBondContact O-N 2.66Å; S172-Q175 WeakPolarHBondContact O-CB 3.46Å; S172-Q175 PolarHBondContact O-N 2.7Å; S172-F176 PolarHBondContact O-N 2.88Å
173	E	56.2	Low	49.5	Very low	126 Å²	126	98.5 Å²	98.5	59%	0.589	50%	0.498	S	S	*	.	H	α-helix	trans	-70.7	-39.4	177.3	-76	-178	176.9	0	0	111.2	L169 K170 Q175 F176 S177	L169-E173 PolarHBondContact O-N 2.73Å; K170-E173 PolarHBondContact O-N 3.42Å; E173-Q175 PolarHBondContact O-N 2.73Å; E173-F176 PolarHBondContact O-N 3.27Å; E173-S177 PolarHBondContact O-N 2.94Å
174	E	53.2	Low	47.8	Very low	89 Å²	89	104.1 Å²	104.1	42%	0.416	51%	0.513	S	S	.	.	H	α-helix	trans	-63.5	-25.2	173.5	-68.1	174.6	-175.9	0	0	111.8	K170 Q223	K170-E174 VanDerWaalsContact CE-OE1 3.3Å; K170-E174 WeakPolarHBondContact CE-OE1 3.3Å; K170-E174 VanDerWaalsContact O-CG 3.3Å; K170-E174 WeakPolarHBondContact O-CG 3.35Å; K170-E174 PolarHBondContact O-N 3.07Å; E174-Q223 PolarHBondContact OE2-NE2 3.01Å
175	Q	46.7	Very low	46.1	Very low	110 Å²	110	109.6 Å²	109.6	51%	0.514	55%	0.547	S	S	.	.	H	α-helix	trans	-74.6	-20.8	171.2	-65.3	-134.1	-42	0	0	114.2	L171 S172 E173	L171-Q175 WeakPolarHBondContact O-CG 3.1Å; L171-Q175 PolarHBondContact O-N 2.68Å; S172-Q175 WeakPolarHBondContact O-CB 3.46Å; S172-Q175 PolarHBondContact O-N 2.7Å; E173-Q175 PolarHBondContact O-N 2.73Å
176	F	41.4	Very low	44.4	Very low	168 Å²	168	114 Å²	114	74%	0.737	57%	0.574	S	S	*	*	H	α-helix	trans	-108.8	-11.3	-173.5	-107.5	-90.6	0	0	0	114.9	S172 E173 D178	S172-F176 PolarHBondContact O-N 2.88Å; E173-F176 PolarHBondContact O-N 3.27Å; F176-D178 VanDerWaalsContact C-N 3.27Å; F176-D178 PolarHBondContact O-N 3.22Å
177	S	35.5	Very low	42.5	Very low	92 Å²	92	115.9 Å²	115.9	64%	0.643	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-14.4	-175.6	-147.1	0	0	0	0	115.1	E173 R179	E173-S177 PolarHBondContact O-N 2.94Å; S177-R179 VanDerWaalsContact C-N 3.28Å; S177-R179 PolarHBondContact O-N 3.38Å
178	D	36.5	Very low	40.5	Very low	162 Å²	162	125 Å²	125	87%	0.866	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	10.6	-178.5	-89.8	-13.6	0	0	0	115.4	F176	F176-D178 VanDerWaalsContact C-N 3.27Å; F176-D178 PolarHBondContact O-N 3.22Å
179	R	30.4	Very low	38.5	Very low	185 Å²	185	134 Å²	134	70%	0.698	67%	0.668	S	S	*	*			trans	-107	55.2	168.8	-64.5	-165.1	-163.1	-155.3	6.7	112.6	S177 L181	S177-R179 VanDerWaalsContact C-N 3.28Å; S177-R179 PolarHBondContact O-N 3.38Å; R179-L181 PolarHBondContact O-N 3.34Å
180	K	30.9	Very low	36.7	Very low	196 Å²	196	134.9 Å²	134.9	85%	0.852	69%	0.69	S	S	*	*			trans	-70.6	87.5	157.1	-108.4	-179.4	-179.5	174.1	0	109.1	S182	K180-S182 VanDerWaalsContact C-N 3.33Å; K180-S182 PolarHBondContact O-N 2.97Å
181	L	27.2	Very low	34.8	Very low	175 Å²	175	135.9 Å²	135.9	92%	0.916	70%	0.701	S	S	*	*			trans	14	64.1	142	-140.9	87	0	0	0	116.1	R179 S183	R179-L181 PolarHBondContact O-N 3.34Å; L181-S183 PolarHBondContact O-N 2.89Å
182	S	27.1	Very low	33.3	Very low	105 Å²	105	142.8 Å²	142.8	73%	0.734	74%	0.739	S	S	*	*			trans	-80.3	109	168.1	79.1	0	0	0	0	107.4	K180 Y184	K180-S182 VanDerWaalsContact C-N 3.33Å; K180-S182 PolarHBondContact O-N 2.97Å; S182-Y184 PolarHBondContact O-N 2.95Å
183	S	28.1	Very low	31.7	Very low	99 Å²	99	148.4 Å²	148.4	69%	0.692	76%	0.763	S	S	*	*			trans	-41.9	121.6	173.6	55.6	0	0	0	0	111.7	L181 V185	L181-S183 PolarHBondContact O-N 2.89Å; S183-V185 PolarHBondContact O-N 3.34Å
184	Y	25	Very low	30.3	Very low	217 Å²	217	148 Å²	148	85%	0.851	77%	0.774	S	S	*	*			trans	-58.3	101.1	169.6	-69.2	-93.4	0	0	0	109.6	S182	S182-Y184 PolarHBondContact O-N 2.95Å
185	V	27.2	Very low	29	Very low	121 Å²	121	149.1 Å²	149.1	73%	0.733	79%	0.792	S	S	*	*			trans	-102.5	101.4	155.8	179.1	0	0	0	0	105.2	S183 P187	S183-V185 PolarHBondContact O-N 3.34Å; V185-P187 WeakPolarHBondContact O-CD 3.38Å
186	L	23.8	Very low	28	Very low	156 Å²	156	153.9 Å²	153.9	82%	0.817	81%	0.811	S	S	*	*			trans	-61.4	114.5	174.8	-72.9	163.4	0	0	0	109.1
187	P	25	Very low	27.2	Very low	123 Å²	123	152.9 Å²	152.9	80%	0.799	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-79.2	131.3	175.6	-7.3	26.1	0	0	0	109.8	V185 M189	V185-P187 WeakPolarHBondContact O-CD 3.38Å; P187-M189 PolarHBondContact O-N 2.76Å
188	R	24.7	Very low	26.6	Very low	246 Å²	246	156.6 Å²	156.6	93%	0.928	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-60.2	130	173.3	-82.5	-178.2	-175.9	-175.6	0.6	110.6	G190	R188-G190 PolarHBondContact O-N 2.98Å
189	M	23.8	Very low	26.1	Very low	196 Å²	196	157.1 Å²	157.1	97%	0.966	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-52.7	120.2	160.9	-87.3	163.2	124.2	0	0	109.7	P187	P187-M189 PolarHBondContact O-N 2.76Å
190	G	27.1	Very low	26.3	Very low	70 Å²	70	155.4 Å²	155.4	72%	0.722	82%	0.824	S	S	*	*			trans	-123.4	120	162.2	0	0	0	0	0	107	R188	R188-G190 PolarHBondContact O-N 2.98Å
191	D	25.4	Very low	26.6	Very low	144 Å²	144	151.4 Å²	151.4	77%	0.77	82%	0.818	S	S	*	*			trans	-56.2	143.6	173.5	-62.1	-56.7	0	0	0	111.3
192	D	27.6	Very low	26.8	Very low	162 Å²	162	150.4 Å²	150.4	87%	0.866	81%	0.814	S	S	*	*				-175.3	106.8	126	-93.1	-25.2	0	0	0	110.6
193	L	24.1	Very low	27.5	Very low	174 Å²	174	151 Å²	151	91%	0.911	82%	0.815	S	S	*	*			trans	-69.3	124.8	158.9	-82.8	88.8	0	0	0	108.7
194	S	26	Very low	27.5	Very low	117 Å²	117	151.6 Å²	151.6	82%	0.818	82%	0.819	S	S	*	*			trans	-147.9	116.8	143.9	69.8	0	0	0	0	111.7
195	S	24.8	Very low	27.6	Very low	113 Å²	113	147.8 Å²	147.8	79%	0.79	82%	0.822	S	S	*	*			trans	-62.2	141.7	166.6	58.4	0	0	0	0	111.2
196	K	27.7	Very low	27.7	Very low	211 Å²	211	151 Å²	151	92%	0.917	83%	0.829	S	S	*	*			trans	-156.2	125.6	147.7	-109.6	168	-170	-178.6	0	112
197	N	23.7	Very low	28	Very low	147 Å²	147	151.6 Å²	151.6	79%	0.786	83%	0.833	S	S	*	*			trans	-57.7	149.6	170.8	-60.7	-44.8	0	0	0	112.8
198	M	23.6	Very low	28.5	Very low	169 Å²	169	153.4 Å²	153.4	83%	0.833	83%	0.834	S	S	*	*				-177.2	135.8	119.5	-143.6	77.5	76.7	0	0	113.4
199	H	25	Very low	28.7	Very low	173 Å²	173	145.9 Å²	145.9	80%	0.801	82%	0.819	S	S	*	*			trans	8.2	135.4	153.7	-75.8	-63.5	0	0	0	125.2
200	N	33.8	Very low	29.2	Very low	149 Å²	149	142.8 Å²	142.8	80%	0.797	82%	0.815	S	S	*	*			trans	-5.7	137.1	141.7	-120.7	3.6	0	0	0	117.4
201	P	38	Very low	29.4	Very low	112 Å²	112	144.7 Å²	144.7	73%	0.727	81%	0.813	S	S	*	*				-155.3	164.2	82.7	39	-18.9	0	0	0	119
202	D	32.4	Very low	30.2	Very low	155 Å²	155	144.2 Å²	144.2	83%	0.829	82%	0.821	S	S	*	*			trans	63.7	136.2	150.1	-90.6	-24.9	0	0	0	125.5
203	P	41.2	Very low	30.6	Very low	118 Å²	118	139 Å²	139	77%	0.766	81%	0.806	S	S	*	*			trans	-105	114.7	178.5	37.1	-23.5	0	0	0	112.6
204	S	27.4	Very low	31.4	Very low	111 Å²	111	135.8 Å²	135.8	78%	0.776	80%	0.798	S	S	*	*			trans	-153.2	113.9	159.1	59.2	0	0	0	0	110.7	E206	S204-E206 PolarHBondContact O-N 3.18Å
205	C	27	Very low	32.3	Very low	136 Å²	136	134.7 Å²	134.7	92%	0.919	81%	0.805	S	S	*	*			trans	16.1	95.7	155.4	-71.1	0	0	0	0	117.5
206	E	30.2	Very low	33.6	Very low	188 Å²	188	134.9 Å²	134.9	88%	0.879	81%	0.806	S	S	*	*			trans	-124.8	112	148.6	-86.9	-171.2	159.3	0	0	110.3	S204 I208	S204-E206 PolarHBondContact O-N 3.18Å; E206-I208 PolarHBondContact O-N 2.85Å
207	L	30.6	Very low	34.4	Very low	170 Å²	170	128.1 Å²	128.1	89%	0.89	80%	0.796	S	S	*	*			trans	-36.3	118.6	165	-161.8	75	0	0	0	109.9	S209	L207-S209 PolarHBondContact O-N 3.39Å
208	I	33.8	Very low	35.5	Very low	160 Å²	160	129 Å²	129	82%	0.821	80%	0.8	S	S	*	*			trans	-46.3	103.4	-176.5	-62.2	166.8	0	0	0	109.2	E206 C210	E206-I208 PolarHBondContact O-N 2.85Å; I208-C210 PolarHBondContact O-N 2.76Å
209	S	30.5	Very low	36.5	Very low	89 Å²	89	125.2 Å²	125.2	62%	0.622	79%	0.788	S	S	*	*			trans	-68.6	133.5	177.6	77.4	0	0	0	0	108.4	L207 T211	L207-S209 PolarHBondContact O-N 3.39Å; S209-T211 WeakPolarHBondContact O-CG2 3.27Å; S209-T211 PolarHBondContact O-N 2.76Å
210	C	33.3	Very low	37.7	Very low	131 Å²	131	126.7 Å²	126.7	89%	0.885	79%	0.793	S	S	*	*			trans	-72.2	74	-178.6	-43	0	0	0	0	108.9	I208	I208-C210 PolarHBondContact O-N 2.76Å
211	T	32.3	Very low	38	Very low	109 Å²	109	126.5 Å²	126.5	67%	0.669	79%	0.791	S	S	*	*			trans	-85.3	115.8	174.9	138.5	0	0	0	0	109	S209 G213	S209-T211 WeakPolarHBondContact O-CG2 3.27Å; S209-T211 PolarHBondContact O-N 2.76Å; T211-G213 PolarHBondContact O-N 2.61Å; T211-G213 PolarHBondContact OG1-N 2.75Å
212	S	42.4	Very low	38.7	Very low	134 Å²	134	125.7 Å²	125.7	94%	0.937	78%	0.783	S	S	*	*			trans	-74.9	51.9	171.2	-62.4	0	0	0	0	111.7
213	G	35	Very low	39.8	Very low	53 Å²	53	122 Å²	122	55%	0.546	76%	0.762	S	S	.	*			trans	-100.5	97.3	-178.7	0	0	0	0	0	113.2	T211	T211-G213 PolarHBondContact O-N 2.61Å; T211-G213 PolarHBondContact OG1-N 2.75Å
214	S	40.4	Very low	40.7	Very low	107 Å²	107	124 Å²	124	75%	0.748	75%	0.754	S	S	*	*			trans	56.6	81.8	145.8	-55.3	0	0	0	0	119.7	S216	S214-S216 PolarHBondContact O-N 3.46Å
215	G	45.2	Very low	43	Very low	93 Å²	93	120 Å²	120	96%	0.959	73%	0.725	S	S	*	*	S	Bend		69.7	4.4	111.1	0	0	0	0	0	121.1
216	S	51.7	Low	45.6	Very low	117 Å²	117	114.4 Å²	114.4	82%	0.818	69%	0.686	S	S	*	*			trans	-126.5	0.2	175.4	58.2	0	0	0	0	114.7	S214	S214-S216 PolarHBondContact O-N 3.46Å
217	G	44.4	Very low	48.1	Very low	69 Å²	69	105.6 Å²	105.6	71%	0.711	65%	0.645	S	S	*	*	S	Bend	trans	-76.2	124.8	172.7	0	0	0	0	0	110.7
218	L	46.9	Very low	50.7	Low	166 Å²	166	103.8 Å²	103.8	87%	0.869	63%	0.627	S	S	*	*			trans	-44.8	134.5	163.4	-80.8	153.8	0	0	0	108.9	F220	L218-F220 PolarHBondContact O-N 3.12Å; L218-F220 VanDerWaalsContact O-N 3.11Å
219	P	44.6	Very low	53.1	Low	90 Å²	90	98.6 Å²	98.6	58%	0.584	60%	0.599	S	S	*	*			trans	-55	123.3	-175.1	20.3	-31.3	0	0	0	110.3	L221	P219-L221 PolarHBondContact O-N 3.35Å; P219-L221 VanDerWaalsContact O-N 3.14Å
220	F	50.1	Low	56	Low	204 Å²	204	94.9 Å²	94.9	90%	0.895	57%	0.572	S	S	*	*	S	Bend	trans	-58.5	-26.9	179.6	-178	-103.8	0	0	0	112.1	L218	L218-F220 PolarHBondContact O-N 3.12Å; L218-F220 VanDerWaalsContact O-N 3.11Å
221	L	40.9	Very low	58.8	Low	144 Å²	144	98.4 Å²	98.4	75%	0.754	57%	0.566	S	S	*	*	S	Bend	trans	-114.5	104.5	170.6	-62.6	174.7	0	0	0	108.9	P219 Q223	P219-L221 PolarHBondContact O-N 3.35Å; P219-L221 VanDerWaalsContact O-N 3.14Å; L221-Q223 PolarHBondContact O-N 3.29Å
222	V	52.1	Low	61.7	Low	95 Å²	95	95 Å²	95	58%	0.576	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-69.7	119	168.5	179.7	0	0	0	0	107.8	R224	V222-R224 PolarHBondContact O-N 3.47Å
223	Q	55.1	Low	64.1	Low	79 Å²	79	92.4 Å²	92.4	37%	0.369	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-51.1	136.4	175.1	-166.8	176.3	4.7	0	0	110	E174 L221 T225	E174-Q223 PolarHBondContact OE2-NE2 3.01Å; L221-Q223 PolarHBondContact O-N 3.29Å; Q223-T225 PolarHBondContact O-N 2.74Å
224	R	60.1	Low	67	Low	160 Å²	160	94.4 Å²	94.4	60%	0.604	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-67.6	126.1	-179.1	-73.1	-174.6	-179.9	167.8	2.4	109.2	V222 R228 H229	V222-R224 PolarHBondContact O-N 3.47Å; R224-R228 HydrophobicContact CB-CB 4.14Å; R224-R228 HydrophobicContact CG-CB 4.36Å; R224-H229 WeakPolarHBondContact CB-NE2 3.35Å
225	T	77.1	Confident	69.5	Low	26 Å²	26	91.5 Å²	91.5	16%	0.16	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-74.2	164.2	171.7	72.5	0	0	0	0	110.2	Q223 A227 R228 H229 D291	Q223-T225 PolarHBondContact O-N 2.74Å; T225-A227 VanDerWaalsContact C-N 3.27Å; T225-A227 PolarHBondContact O-N 2.83Å; T225-R228 WeakPolarHBondContact O-CB 3.23Å; T225-R228 PolarHBondContact O-N 2.81Å; T225-H229 PolarHBondContact O-CD2 2.88Å; T225-D291 WeakPolarHBondContact CB-OD2 3.39Å; T225-D291 PolarHBondContact OG1-OD2 3.41Å
226	V	81.9	Confident	71.7	Confident	19 Å²	19	90.8 Å²	90.8	12%	0.115	47%	0.472	C	S	.	.	G	3₁₀ helix	trans	-53.4	-43.6	-178.5	171.4	0	0	0	0	111.9	L168 L171 R228 H229 I230 A289 D291	L168-V226 HydrophobicContact CD2-CB 4.27Å; L168-V226 HydrophobicContact CD2-CG1 3.46Å; L168-V226 VanDerWaalsContact CD2-CG1 3.46Å; L168-V226 HydrophobicContact CD2-CG2 3.87Å; L171-V226 HydrophobicContact CB-CG2 4.45Å; L171-V226 HydrophobicContact CD1-CG2 4.22Å; V226-R228 PolarHBondContact O-N 3.05Å; V226-H229 PolarHBondContact O-N 2.91Å; V226-I230 HydrophobicContact CG1-CD1 4.04Å; V226-A289 HydrophobicContact CG1-CB 4.04Å; V226-A289 HydrophobicContact CG2-CB 4.44Å; V226-D291 PolarHBondContact N-OD2 3.34Å
227	A	82.6	Confident	73.4	Confident	2 Å²	2	86.5 Å²	86.5	2%	0.017	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-59.9	-32.7	178.7	0	0	0	0	0	112.8	T225 H229 I230 D291 I293 W302	T225-A227 VanDerWaalsContact C-N 3.27Å; T225-A227 PolarHBondContact O-N 2.83Å; A227-H229 PolarHBondContact O-N 2.7Å; A227-I230 PolarHBondContact O-N 3.17Å; A227-I230 VanDerWaalsContact O-N 3.16Å; A227-D291 HydrophobicContact CB-CB 4.03Å; A227-D291 WeakPolarHBondContact CB-OD2 3.47Å; A227-D291 PolarHBondContact N-OD2 2.84Å; A227-I293 HydrophobicContact CB-CB 4.14Å; A227-I293 HydrophobicContact CB-CD1 4.02Å; A227-I293 HydrophobicContact CB-CG2 4.34Å; A227-W302 HydrophobicContact CB-CD2 4.06Å; A227-W302 HydrophobicContact CB-CE3 3.61Å; A227-W302 HydrophobicContact CB-CZ3 3.95Å
228	R	83.6	Confident	75.4	Confident	132 Å²	132	90.7 Å²	90.7	50%	0.498	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-69.9	-17.8	177.7	-71.4	-175.8	172.1	164.8	-1.5	113.5	R224 T225 V226 I293	R224-R228 HydrophobicContact CB-CB 4.14Å; R224-R228 HydrophobicContact CG-CB 4.36Å; T225-R228 WeakPolarHBondContact O-CB 3.23Å; T225-R228 PolarHBondContact O-N 2.81Å; V226-R228 PolarHBondContact O-N 3.05Å; R228-I293 HydrophobicContact CG-CD1 4.22Å
229	H	85.9	Confident	76.7	Confident	52 Å²	52	85.4 Å²	85.4	24%	0.241	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-89.4	-6.9	174.5	-74.7	-102.6	0	0	0	113.3	Y167 R224 T225 V226 A227	Y167-H229 PolarHBondContact OH-CE1 3.24Å; Y167-H229 VanDerWaalsContact OH-CE1 3.24Å; Y167-H229 PolarHBondContact OH-ND1 3.1Å; Y167-H229 VanDerWaalsContact OH-ND1 3.13Å; R224-H229 WeakPolarHBondContact CB-NE2 3.35Å; T225-H229 PolarHBondContact O-CD2 2.88Å; V226-H229 PolarHBondContact O-N 2.91Å; A227-H229 PolarHBondContact O-N 2.7Å
230	I	91	Very high	78.1	Confident	10 Å²	10	91.5 Å²	91.5	5%	0.051	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	128.9	-176	-65.3	172.4	0	0	0	110.1	V226 A227 L232 A247 C249 V254 V256 W302 I304	V226-I230 HydrophobicContact CG1-CD1 4.04Å; A227-I230 PolarHBondContact O-N 3.17Å; A227-I230 VanDerWaalsContact O-N 3.16Å; I230-L232 HydrophobicContact CG2-CD2 4.44Å; I230-A247 HydrophobicContact CG2-CB 3.49Å; I230-A247 VanDerWaalsContact CG2-CB 3.49Å; I230-C249 HydrophobicContact CG1-CB 3.96Å; I230-V254 HydrophobicContact CG2-CG2 4.41Å; I230-V256 HydrophobicContact CG2-CG2 3.94Å; I230-W302 HydrophobicContact CB-CZ3 3.97Å; I230-W302 HydrophobicContact CG2-CZ3 3.88Å; I230-I304 HydrophobicContact CD1-CB 4.48Å; I230-I304 HydrophobicContact CD1-CD1 4.47Å; I230-I304 HydrophobicContact CD1-CG1 3.6Å; I230-I304 HydrophobicContact CD1-CG2 4Å
231	R	92.1	Very high	79.1	Confident	205 Å²	205	83.2 Å²	83.2	77%	0.774	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	112.4	173.2	-64.1	-174.9	-178.1	-157.9	1.3	109.4	A247 T248	R231-A247 CarbonylContact O-C 3.45Å; R231-A247 VanDerWaalsContact O-CA 3.24Å; R231-A247 WeakPolarHBondContact O-CA 3.39Å; R231-A247 WeakPolarHBondContact O-CB 3.28Å; R231-T248 PolarHBondContact N-O 2.7Å; R231-T248 PolarHBondContact O-N 3.05Å
232	L	92.9	Very high	81	Confident	39 Å²	39	77.5 Å²	77.5	20%	0.204	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	133.5	174.3	-57.9	-179.9	0	0	0	109.9	I230 W245 A247 V256 I258 W302	I230-L232 HydrophobicContact CG2-CD2 4.44Å; L232-W245 HydrophobicContact CB-CD2 4.44Å; L232-W245 HydrophobicContact CB-CE3 3.92Å; L232-W245 HydrophobicContact CB-CZ3 4.48Å; L232-W245 HydrophobicContact CD1-CD2 4.37Å; L232-W245 HydrophobicContact CD2-CB 3.92Å; L232-W245 HydrophobicContact CD2-CG 4.38Å; L232-A247 HydrophobicContact CD2-CB 3.89Å; L232-V256 HydrophobicContact CD2-CB 4.13Å; L232-V256 HydrophobicContact CD2-CG1 4.31Å; L232-V256 HydrophobicContact CD2-CG2 4.15Å; L232-I258 HydrophobicContact CD1-CD1 3.72Å; L232-I258 HydrophobicContact CD2-CD1 4.36Å; L232-W302 HydrophobicContact CD1-CH2 3.89Å; L232-W302 HydrophobicContact CD1-CZ2 3.87Å; L232-W302 HydrophobicContact CD2-CH2 3.67Å; L232-W302 HydrophobicContact CD2-CZ2 4.25Å; L232-W302 HydrophobicContact CD2-CZ3 4Å; L232-W302 HydrophobicContact CG-CH2 3.74Å; L232-W302 HydrophobicContact CG-CZ2 4.25Å
233	T	93.3	Very high	82.8	Confident	78 Å²	78	76 Å²	76	48%	0.479	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-60.9	-176	-52.3	0	0	0	0	111.2	K246	T233-K246 WeakPolarHBondContact CA-O 3.32Å; T233-K246 WeakPolarHBondContact CB-O 3.29Å; T233-K246 PolarHBondContact N-O 3.38Å
234	M	95	Very high	84.6	Confident	96 Å²	96	74.3 Å²	74.3	47%	0.473	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	145.9	-178.6	62.5	179.2	71	0	0	111.5	I236 W245 K246	M234-I236 HydrophobicContact CG-CG2 4.04Å; M234-I236 PolarHBondContact O-N 3.25Å; M234-I236 HydrophobicContact SD-CG2 4.44Å; M234-W245 CarbonylContact O-C 3.53Å; M234-W245 WeakPolarHBondContact O-CA 3.11Å; M234-K246 HydrophobicContact CG-CB 3.82Å; M234-K246 HydrophobicContact CG-CD 4.21Å; M234-K246 PolarHBondContact N-O 3.06Å; M234-K246 PolarHBondContact O-N 3.11Å; M234-K246 HydrophobicContact SD-CD 4.23Å
235	C	93.8	Very high	86.3	Confident	46 Å²	46	69.6 Å²	69.6	31%	0.311	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	120.3	171.6	-173.3	0	0	0	0	108.8	W245	C235-W245 HydrophobicContact CB-CD2 4.02Å; C235-W245 HydrophobicContact CB-CE3 4.3Å; C235-W245 HydrophobicContact CB-CH2 4.12Å; C235-W245 HydrophobicContact CB-CZ2 3.82Å; C235-W245 HydrophobicContact CB-CZ3 4.34Å; C235-W245 VanDerWaalsContact N-CE3 3.34Å
236	I	91.5	Very high	87.3	Confident	78 Å²	78	70.9 Å²	70.9	40%	0.4	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-14.8	-179	59.7	174	0	0	0	112.9	M234 V244 K246 Y307	M234-I236 HydrophobicContact CG-CG2 4.04Å; M234-I236 PolarHBondContact O-N 3.25Å; M234-I236 HydrophobicContact SD-CG2 4.44Å; I236-V244 HydrophobicContact CD1-CG1 3.82Å; I236-V244 HydrophobicContact CG1-CB 4.04Å; I236-V244 HydrophobicContact CG1-CG1 3.79Å; I236-V244 VanDerWaalsContact CG1-O 3.29Å; I236-V244 WeakPolarHBondContact CG1-O 3.18Å; I236-V244 PolarHBondContact N-O 3.07Å; I236-K246 HydrophobicContact CG2-CB 3.78Å; I236-Y307 HydrophobicContact CD1-CD2 4.22Å; I236-Y307 HydrophobicContact CD1-CE2 3.98Å
237	G	87	Confident	87.9	Confident	27 Å²	27	70 Å²	70	28%	0.278	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	145.6	177.1	0	0	0	0	0	111.9	E243 V244	G237-E243 CarbonylContact O-C 3.58Å; G237-E243 WeakPolarHBondContact O-CA 3.45Å; G237-V244 PolarHBondContact N-O 3.31Å; G237-V244 PolarHBondContact O-N 3.41Å
238	K	85.2	Confident	88.4	Confident	157 Å²	157	72 Å²	72	68%	0.683	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.5	170	-59.4	-165	-177.2	-145.7	0	108.3	E243	K238-E243 HydrophobicContact CD-CG 4.43Å; K238-E243 VanDerWaalsContact CE-OE1 3.31Å; K238-E243 WeakPolarHBondContact CE-OE1 3.41Å; K238-E243 HydrophobicContact CG-CG 4.17Å; K238-E243 IonicContact NZ-OE1 2.74Å; K238-E243 PolarHBondContact NZ-OE1 2.72Å
239	G	74.5	Confident	88.6	Confident	55 Å²	55	65.9 Å²	65.9	57%	0.567	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.4	-176.5	-178.2	0	0	0	0	0	111.8	F241 G242	G239-F241 VanDerWaalsContact C-N 3.26Å; G239-F241 PolarHBondContact O-N 2.81Å; G239-G242 PolarHBondContact N-O 3.06Å; G239-G242 PolarHBondContact O-N 3.33Å
240	R	74.3	Confident	88.5	Confident	217 Å²	217	68.6 Å²	68.6	82%	0.819	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-40	179.8	176.2	179.9	167.8	152	-0.6	112.8	G242	R240-G242 VanDerWaalsContact C-N 3.32Å
241	F	71.5	Confident	88.1	Confident	30 Å²	30	70.9 Å²	70.9	13%	0.132	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-0.7	-174.1	-54.5	-65.4	0	0	0	113.7	G239 F259 S266 L379	G239-F241 VanDerWaalsContact C-N 3.26Å; G239-F241 PolarHBondContact O-N 2.81Å; F241-F259 HydrophobicContact CB-CD1 3.91Å; F241-F259 HydrophobicContact CB-CE1 3.8Å; F241-F259 VanDerWaalsContact O-CD1 3.32Å; F241-F259 WeakPolarHBondContact O-CD1 3.47Å; F241-S266 WeakPolarHBondContact CE1-OG 3.47Å; F241-L379 HydrophobicContact CZ-CD2 4.41Å
242	G	80.7	Confident	87.8	Confident	24 Å²	24	63.8 Å²	63.8	25%	0.247	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	131.3	-151.6	179.7	0	0	0	0	0	113.5	G239 R240 I258	G239-G242 PolarHBondContact N-O 3.06Å; G239-G242 PolarHBondContact O-N 3.33Å; R240-G242 VanDerWaalsContact C-N 3.32Å; G242-I258 WeakPolarHBondContact CA-O 3.36Å
243	E	90.4	Very high	87.7	Confident	63 Å²	63	64.2 Å²	64.2	29%	0.294	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	138.4	-172.1	-56.3	-170.8	156	0	0	111	G237 K238 W245 I258	G237-E243 CarbonylContact O-C 3.58Å; G237-E243 WeakPolarHBondContact O-CA 3.45Å; K238-E243 HydrophobicContact CD-CG 4.43Å; K238-E243 VanDerWaalsContact CE-OE1 3.31Å; K238-E243 WeakPolarHBondContact CE-OE1 3.41Å; K238-E243 HydrophobicContact CG-CG 4.17Å; K238-E243 IonicContact NZ-OE1 2.74Å; K238-E243 PolarHBondContact NZ-OE1 2.72Å; E243-W245 PolarHBondContact OE2-NE1 3.31Å; E243-I258 PolarHBondContact N-O 3.23Å; E243-I258 PolarHBondContact O-N 2.62Å
244	V	93.2	Very high	87.8	Confident	45 Å²	45	60.5 Å²	60.5	27%	0.273	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.3	171.8	-170.3	0	0	0	0	108.3	I236 G237 V256 K257	I236-V244 HydrophobicContact CD1-CG1 3.82Å; I236-V244 HydrophobicContact CG1-CB 4.04Å; I236-V244 HydrophobicContact CG1-CG1 3.79Å; I236-V244 VanDerWaalsContact CG1-O 3.29Å; I236-V244 WeakPolarHBondContact CG1-O 3.18Å; I236-V244 PolarHBondContact N-O 3.07Å; G237-V244 PolarHBondContact N-O 3.31Å; G237-V244 PolarHBondContact O-N 3.41Å; V244-V256 CarbonylContact C-O 3.6Å; V244-V256 WeakPolarHBondContact CA-O 3.29Å; V244-K257 HydrophobicContact CG2-CB 4.36Å; V244-K257 HydrophobicContact CG2-CG 4.17Å
245	W	95.5	Very high	87.8	Confident	61 Å²	61	56.3 Å²	56.3	23%	0.231	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.8	-178	-74.4	74.8	0	0	0	110.5	L232 M234 C235 E243 A255 V256 I258	L232-W245 HydrophobicContact CB-CD2 4.44Å; L232-W245 HydrophobicContact CB-CE3 3.92Å; L232-W245 HydrophobicContact CB-CZ3 4.48Å; L232-W245 HydrophobicContact CD1-CD2 4.37Å; L232-W245 HydrophobicContact CD2-CB 3.92Å; L232-W245 HydrophobicContact CD2-CG 4.38Å; M234-W245 CarbonylContact O-C 3.53Å; M234-W245 WeakPolarHBondContact O-CA 3.11Å; C235-W245 HydrophobicContact CB-CD2 4.02Å; C235-W245 HydrophobicContact CB-CE3 4.3Å; C235-W245 HydrophobicContact CB-CH2 4.12Å; C235-W245 HydrophobicContact CB-CZ2 3.82Å; C235-W245 HydrophobicContact CB-CZ3 4.34Å; C235-W245 VanDerWaalsContact N-CE3 3.34Å; E243-W245 PolarHBondContact OE2-NE1 3.31Å; W245-A255 CarbonylContact O-C 3.59Å; W245-A255 WeakPolarHBondContact O-CA 3.43Å; W245-V256 PolarHBondContact N-O 2.7Å; W245-V256 PolarHBondContact O-N 2.99Å; W245-I258 HydrophobicContact CG-CD1 4.24Å
246	K	96.6	Very high	87.9	Confident	53 Å²	53	54.1 Å²	54.1	23%	0.23	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	131	158.3	-177	-176.1	-174.9	-178.9	0	107.5	T233 M234 I236 T253 Y307	T233-K246 WeakPolarHBondContact CA-O 3.32Å; T233-K246 WeakPolarHBondContact CB-O 3.29Å; T233-K246 PolarHBondContact N-O 3.38Å; M234-K246 HydrophobicContact CG-CB 3.82Å; M234-K246 HydrophobicContact CG-CD 4.21Å; M234-K246 PolarHBondContact N-O 3.06Å; M234-K246 PolarHBondContact O-N 3.11Å; M234-K246 HydrophobicContact SD-CD 4.23Å; I236-K246 HydrophobicContact CG2-CB 3.78Å; K246-T253 HydrophobicContact CD-CG2 4.18Å; K246-T253 HydrophobicContact CG-CG2 3.72Å; K246-Y307 HydrophobicContact CB-CD2 4.33Å; K246-Y307 HydrophobicContact CB-CE2 4Å; K246-Y307 HydrophobicContact CD-CE1 4.38Å; K246-Y307 HydrophobicContact CD-CE2 3.91Å; K246-Y307 HydrophobicContact CG-CD2 4.03Å; K246-Y307 HydrophobicContact CG-CE2 3.77Å
247	A	95.3	Very high	87.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	166.6	-177.9	0	0	0	0	0	111.1	I230 R231 L232 T253 V254 V256	I230-A247 HydrophobicContact CG2-CB 3.49Å; I230-A247 VanDerWaalsContact CG2-CB 3.49Å; R231-A247 CarbonylContact O-C 3.45Å; R231-A247 VanDerWaalsContact O-CA 3.24Å; R231-A247 WeakPolarHBondContact O-CA 3.39Å; R231-A247 WeakPolarHBondContact O-CB 3.28Å; L232-A247 HydrophobicContact CD2-CB 3.89Å; A247-T253 CarbonylContact O-C 3.53Å; A247-T253 WeakPolarHBondContact O-CA 3.46Å; A247-V254 HydrophobicContact CB-CG2 3.98Å; A247-V254 PolarHBondContact N-O 2.84Å; A247-V254 PolarHBondContact O-N 2.89Å; A247-V256 HydrophobicContact CB-CG2 3.71Å
248	T	93	Very high	88.1	Confident	44 Å²	44	51.4 Å²	51.4	27%	0.27	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.9	176.8	-56.7	0	0	0	0	110.2	R231 G251 E252	R231-T248 PolarHBondContact N-O 2.7Å; R231-T248 PolarHBondContact O-N 3.05Å; T248-G251 VanDerWaalsContact CG2-C 3.48Å; T248-E252 CarbonylContact C-O 3.53Å; T248-E252 WeakPolarHBondContact CA-O 3.17Å
249	C	87.9	Confident	88.1	Confident	3 Å²	3	44 Å²	44	2%	0.02	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	112.9	173.1	-168.4	0	0	0	0	108.2	I230 G251 E252 V254	I230-C249 HydrophobicContact CG1-CB 3.96Å; C249-G251 VanDerWaalsContact C-N 3.27Å; C249-G251 PolarHBondContact O-N 3.46Å; C249-E252 PolarHBondContact N-O 2.87Å; C249-E252 WeakPolarHBondContact O-CA 3.3Å; C249-E252 WeakPolarHBondContact O-CB 3.44Å; C249-E252 PolarHBondContact O-N 2.88Å; C249-V254 HydrophobicContact CB-CG1 4.18Å; C249-V254 HydrophobicContact CB-CG2 4.3Å
250	Q	84.1	Confident	88.4	Confident	109 Å²	109	43.8 Å²	43.8	51%	0.509	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	36.4	-178.5	-57	-164.6	-39.4	0	0	115.7	Y167 E252	Y167-Q250 VanDerWaalsContact CD1-CD 3.42Å; Y167-Q250 HydrophobicContact CD1-CG 4.29Å; Y167-Q250 VanDerWaalsContact CD1-OE1 3.26Å; Y167-Q250 HydrophobicContact CE1-CG 3.96Å; Y167-Q250 VanDerWaalsContact CG-OE1 3.31Å; Y167-Q250 PolarHBondContact OH-NE2 3.16Å; Q250-E252 VanDerWaalsContact C-N 3.28Å
251	G	81.9	Confident	88.5	Confident	59 Å²	59	36.8 Å²	36.8	61%	0.608	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.2	-15.6	-175.1	0	0	0	0	0	113.5	T248 C249	T248-G251 VanDerWaalsContact CG2-C 3.48Å; C249-G251 VanDerWaalsContact C-N 3.27Å; C249-G251 PolarHBondContact O-N 3.46Å
252	E	85.2	Confident	88.6	Confident	56 Å²	56	46.3 Å²	46.3	26%	0.262	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	140.7	-173	-50	-60.5	-164.4	0	0	114.2	F160 I164 T248 C249 Q250	F160-E252 WeakPolarHBondContact CD2-OE1 3.49Å; F160-E252 HydrophobicContact CE1-CB 4.26Å; F160-E252 HydrophobicContact CE1-CG 4.46Å; F160-E252 HydrophobicContact CE2-CB 4.41Å; F160-E252 HydrophobicContact CE2-CG 4.08Å; F160-E252 WeakPolarHBondContact CE2-OE1 3.25Å; F160-E252 WeakPolarHBondContact CE2-OE2 3.45Å; F160-E252 HydrophobicContact CZ-CB 3.75Å; F160-E252 HydrophobicContact CZ-CG 3.88Å; F160-E252 WeakPolarHBondContact CZ-OE2 3.08Å; I164-E252 HydrophobicContact CD1-CB 3.33Å; I164-E252 HydrophobicContact CD1-CG 3.58Å; I164-E252 HydrophobicContact CG1-CB 4.02Å; I164-E252 HydrophobicContact CG1-CG 3.78Å; T248-E252 CarbonylContact C-O 3.53Å; T248-E252 WeakPolarHBondContact CA-O 3.17Å; C249-E252 PolarHBondContact N-O 2.87Å; C249-E252 WeakPolarHBondContact O-CA 3.3Å; C249-E252 WeakPolarHBondContact O-CB 3.44Å; C249-E252 PolarHBondContact O-N 2.88Å; Q250-E252 VanDerWaalsContact C-N 3.28Å
253	T	92.8	Very high	88.4	Confident	47 Å²	47	46.9 Å²	46.9	29%	0.288	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	123.7	-176.7	-55.9	0	0	0	0	110.6	K246 A247 Y307	K246-T253 HydrophobicContact CD-CG2 4.18Å; K246-T253 HydrophobicContact CG-CG2 3.72Å; A247-T253 CarbonylContact O-C 3.53Å; A247-T253 WeakPolarHBondContact O-CA 3.46Å; T253-Y307 HydrophobicContact CG2-CD1 3.38Å; T253-Y307 HydrophobicContact CG2-CD2 4.23Å; T253-Y307 HydrophobicContact CG2-CE1 3.97Å; T253-Y307 HydrophobicContact CG2-CG 3.53Å
254	V	94.8	Very high	87.8	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	159.8	177.4	-57.5	0	0	0	0	110.5	I230 A247 C249 V256 Y288 I304	I230-V254 HydrophobicContact CG2-CG2 4.41Å; A247-V254 HydrophobicContact CB-CG2 3.98Å; A247-V254 PolarHBondContact N-O 2.84Å; A247-V254 PolarHBondContact O-N 2.89Å; C249-V254 HydrophobicContact CB-CG1 4.18Å; C249-V254 HydrophobicContact CB-CG2 4.3Å; V254-V256 HydrophobicContact CG2-CG2 4.16Å; V254-Y288 HydrophobicContact CG1-CD2 4.11Å; V254-Y288 HydrophobicContact CG1-CE2 3.95Å; V254-I304 HydrophobicContact CB-CG2 4.14Å; V254-I304 HydrophobicContact CG2-CG2 4.14Å
255	A	95.7	Very high	87	Confident	8 Å²	8	49.3 Å²	49.3	7%	0.066	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135.8	169.7	0	0	0	0	0	109.2	W245 I304 T305 Y307	W245-A255 CarbonylContact O-C 3.59Å; W245-A255 WeakPolarHBondContact O-CA 3.43Å; A255-I304 WeakPolarHBondContact O-CA 3.47Å; A255-T305 PolarHBondContact N-O 2.87Å; A255-T305 PolarHBondContact O-N 3.29Å; A255-Y307 HydrophobicContact CB-CD2 4.44Å
256	V	94.2	Very high	86	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	111.7	-179.3	-175.9	0	0	0	0	108.5	I230 L232 V244 W245 A247 V254 I258 W302 L303 I304	I230-V256 HydrophobicContact CG2-CG2 3.94Å; L232-V256 HydrophobicContact CD2-CB 4.13Å; L232-V256 HydrophobicContact CD2-CG1 4.31Å; L232-V256 HydrophobicContact CD2-CG2 4.15Å; V244-V256 CarbonylContact C-O 3.6Å; V244-V256 WeakPolarHBondContact CA-O 3.29Å; W245-V256 PolarHBondContact N-O 2.7Å; W245-V256 PolarHBondContact O-N 2.99Å; A247-V256 HydrophobicContact CB-CG2 3.71Å; V254-V256 HydrophobicContact CG2-CG2 4.16Å; V256-I258 HydrophobicContact CG1-CD1 4.49Å; V256-I258 HydrophobicContact CG1-CG1 3.84Å; V256-W302 HydrophobicContact CG1-CB 4.15Å; V256-W302 HydrophobicContact CG1-CD2 3.6Å; V256-W302 HydrophobicContact CG1-CE3 3.45Å; V256-W302 VanDerWaalsContact CG1-CE3 3.45Å; V256-W302 HydrophobicContact CG1-CG 3.93Å; V256-W302 HydrophobicContact CG1-CZ3 4.05Å; V256-L303 WeakPolarHBondContact CA-O 2.86Å; V256-I304 HydrophobicContact CG2-CG1 4.47Å
257	K	92.6	Very high	85.2	Confident	30 Å²	30	46 Å²	46	13%	0.13	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	115.6	170.7	-173.5	179	179.8	-169.4	0	107.8	V244 F259 E270 L303 D376	V244-K257 HydrophobicContact CG2-CB 4.36Å; V244-K257 HydrophobicContact CG2-CG 4.17Å; K257-F259 HydrophobicContact CB-CE2 4.07Å; K257-F259 HydrophobicContact CD-CE1 4.23Å; K257-F259 HydrophobicContact CD-CE2 3.74Å; K257-F259 HydrophobicContact CD-CZ 3.41Å; K257-F259 VanDerWaalsContact CD-CZ 3.41Å; K257-F259 HydrophobicContact CG-CD2 4.28Å; K257-F259 HydrophobicContact CG-CE1 4.47Å; K257-F259 HydrophobicContact CG-CE2 3.6Å; K257-F259 HydrophobicContact CG-CZ 3.74Å; K257-E270 IonicContact NZ-OE1 2.7Å; K257-E270 IonicContact NZ-OE2 3.59Å; K257-E270 PolarHBondContact NZ-OE2 3.01Å; K257-L303 HydrophobicContact CB-CB 4.29Å; K257-L303 HydrophobicContact CD-CD2 4.33Å; K257-L303 PolarHBondContact N-O 3.35Å; K257-L303 PolarHBondContact O-N 2.81Å; K257-D376 IonicContact NZ-OD1 2.8Å; K257-D376 PolarHBondContact NZ-OD1 2.87Å
258	I	90.9	Very high	84.4	Confident	18 Å²	18	47.6 Å²	47.6	9%	0.092	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114.8	-177	-55.6	179.1	0	0	0	108.1	L232 G242 E243 W245 V256 Q300 W302	L232-I258 HydrophobicContact CD1-CD1 3.72Å; L232-I258 HydrophobicContact CD2-CD1 4.36Å; G242-I258 WeakPolarHBondContact CA-O 3.36Å; E243-I258 PolarHBondContact N-O 3.23Å; E243-I258 PolarHBondContact O-N 2.62Å; W245-I258 HydrophobicContact CG-CD1 4.24Å; V256-I258 HydrophobicContact CG1-CD1 4.49Å; V256-I258 HydrophobicContact CG1-CG1 3.84Å; I258-Q300 HydrophobicContact CG2-CB 3.98Å; I258-Q300 HydrophobicContact CG2-CG 4.18Å; I258-W302 HydrophobicContact CD1-CZ2 4.11Å; I258-W302 HydrophobicContact CG1-CD2 4.48Å; I258-W302 HydrophobicContact CG1-CG 4.44Å
259	F	85.8	Confident	83.6	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.009	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	147.7	176.4	-57.5	-104.9	0	0	0	110.5	F241 K257 D263 W267 E270 L301 L303	F241-F259 HydrophobicContact CB-CD1 3.91Å; F241-F259 HydrophobicContact CB-CE1 3.8Å; F241-F259 VanDerWaalsContact O-CD1 3.32Å; F241-F259 WeakPolarHBondContact O-CD1 3.47Å; K257-F259 HydrophobicContact CB-CE2 4.07Å; K257-F259 HydrophobicContact CD-CE1 4.23Å; K257-F259 HydrophobicContact CD-CE2 3.74Å; K257-F259 HydrophobicContact CD-CZ 3.41Å; K257-F259 VanDerWaalsContact CD-CZ 3.41Å; K257-F259 HydrophobicContact CG-CD2 4.28Å; K257-F259 HydrophobicContact CG-CE1 4.47Å; K257-F259 HydrophobicContact CG-CE2 3.6Å; K257-F259 HydrophobicContact CG-CZ 3.74Å; F259-D263 HydrophobicContact CB-CB 4.38Å; F259-D263 HydrophobicContact CD1-CB 4.18Å; F259-W267 HydrophobicContact CB-CB 4.38Å; F259-W267 HydrophobicContact CD1-CB 4.22Å; F259-W267 HydrophobicContact CD2-CB 4.04Å; F259-W267 AromaticContact CD2-CD1 3.62Å; F259-W267 HydrophobicContact CD2-CG 4.19Å; F259-W267 HydrophobicContact CE1-CB 4.47Å; F259-W267 HydrophobicContact CE2-CB 4.32Å; F259-W267 AromaticContact CE2-CD1 3.76Å; F259-W267 HydrophobicContact CE2-CG 4.46Å; F259-W267 HydrophobicContact CG-CB 3.98Å; F259-W267 HydrophobicContact CZ-CB 4.5Å; F259-E270 WeakPolarHBondContact CZ-OE2 3.46Å; F259-L301 HydrophobicContact CB-CB 4.18Å; F259-L301 PolarHBondContact N-O 2.99Å; F259-L301 PolarHBondContact O-N 2.81Å; F259-L303 HydrophobicContact CE2-CB 3.85Å
260	S	80.8	Confident	83.3	Confident	49 Å²	49	47.1 Å²	47.1	34%	0.343	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	157.8	166	84.7	0	0	0	0	110.1	R262 D263	S260-R262 PolarHBondContact O-N 3.31Å; S260-R262 VanDerWaalsContact O-N 3.09Å; S260-R262 WeakPolarHBondContact OG-CB 3.12Å; S260-R262 PolarHBondContact OG-N 3.2Å; S260-D263 PolarHBondContact O-N 3.12Å; S260-D263 PolarHBondContact OG-OD2 2.86Å
261	S	75.6	Confident	83.1	Confident	71 Å²	71	42.8 Å²	42.8	50%	0.497	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-59.6	-19	172.9	56.2	0	0	0	0	113.6	D263 E264	S261-D263 VanDerWaalsContact C-N 3.27Å; S261-D263 PolarHBondContact O-N 3.26Å; S261-E264 WeakPolarHBondContact O-CB 3.38Å
262	R	74.4	Confident	83.1	Confident	230 Å²	230	43.9 Å²	43.9	87%	0.868	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-72.6	-23	175.4	-58.4	177.9	179.4	175.4	-0.8	112.7	S260	S260-R262 PolarHBondContact O-N 3.31Å; S260-R262 VanDerWaalsContact O-N 3.09Å; S260-R262 WeakPolarHBondContact OG-CB 3.12Å; S260-R262 PolarHBondContact OG-N 3.2Å
263	D	76	Confident	82.6	Confident	36 Å²	36	41.5 Å²	41.5	19%	0.193	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-101.7	18.2	-178.8	-57.3	-70.1	0	0	0	111.9	F259 S260 S261 A265 S266 W267	F259-D263 HydrophobicContact CB-CB 4.38Å; F259-D263 HydrophobicContact CD1-CB 4.18Å; S260-D263 PolarHBondContact O-N 3.12Å; S260-D263 PolarHBondContact OG-OD2 2.86Å; S261-D263 VanDerWaalsContact C-N 3.27Å; S261-D263 PolarHBondContact O-N 3.26Å; D263-A265 PolarHBondContact O-N 3.49Å; D263-S266 WeakPolarHBondContact O-CB 3.24Å; D263-S266 PolarHBondContact O-N 3.24Å; D263-W267 PolarHBondContact O-N 3.37Å; D263-W267 VanDerWaalsContact O-N 3.1Å
264	E	78.2	Confident	81.8	Confident	111 Å²	111	40 Å²	40	52%	0.519	21%	0.207	S	C	.	.	H	α-helix	trans	-52.7	-38.3	179.5	-176.3	177.9	179.8	0	0	112.4	S261 S266 W267 A268 L301	S261-E264 WeakPolarHBondContact O-CB 3.38Å; E264-S266 VanDerWaalsContact C-N 3.33Å; E264-S266 PolarHBondContact O-N 3.12Å; E264-W267 PolarHBondContact O-N 2.89Å; E264-A268 WeakPolarHBondContact O-CB 3.25Å; E264-A268 PolarHBondContact O-N 3.41Å; E264-L301 HydrophobicContact CB-CD1 3.76Å; E264-L301 HydrophobicContact CG-CD1 3.91Å
265	A	75.6	Confident	80.9	Confident	47 Å²	47	44.9 Å²	44.9	39%	0.388	23%	0.232	S	C	.	.	H	α-helix	trans	-56.3	-42.7	174.5	0	0	0	0	0	113.6	D263 R269 P428	D263-A265 PolarHBondContact O-N 3.49Å; A265-R269 WeakPolarHBondContact O-CB 3.49Å; A265-R269 PolarHBondContact O-N 2.8Å; A265-P428 HydrophobicContact CB-CG 3.62Å
266	S	75.2	Confident	79.6	Confident	15 Å²	15	46 Å²	46	11%	0.105	24%	0.238	C	C	.	.	H	α-helix	trans	-73.5	-42	179.3	-75.4	0	0	0	0	111.3	F241 D263 E264 E270	F241-S266 WeakPolarHBondContact CE1-OG 3.47Å; D263-S266 WeakPolarHBondContact O-CB 3.24Å; D263-S266 PolarHBondContact O-N 3.24Å; E264-S266 VanDerWaalsContact C-N 3.33Å; E264-S266 PolarHBondContact O-N 3.12Å; S266-E270 WeakPolarHBondContact O-CB 3.26Å; S266-E270 PolarHBondContact O-N 3.24Å
267	W	80.6	Confident	77.9	Confident	29 Å²	29	47.9 Å²	47.9	11%	0.11	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-45.8	175.7	174	83	0	0	0	112	F259 D263 E264 R269 E270 T271 M292 L301 W302	F259-W267 HydrophobicContact CB-CB 4.38Å; F259-W267 HydrophobicContact CD1-CB 4.22Å; F259-W267 HydrophobicContact CD2-CB 4.04Å; F259-W267 AromaticContact CD2-CD1 3.62Å; F259-W267 HydrophobicContact CD2-CG 4.19Å; F259-W267 HydrophobicContact CE1-CB 4.47Å; F259-W267 HydrophobicContact CE2-CB 4.32Å; F259-W267 AromaticContact CE2-CD1 3.76Å; F259-W267 HydrophobicContact CE2-CG 4.46Å; F259-W267 HydrophobicContact CG-CB 3.98Å; F259-W267 HydrophobicContact CZ-CB 4.5Å; D263-W267 PolarHBondContact O-N 3.37Å; D263-W267 VanDerWaalsContact O-N 3.1Å; E264-W267 PolarHBondContact O-N 2.89Å; W267-R269 PolarHBondContact O-N 2.84Å; W267-E270 PolarHBondContact O-N 2.72Å; W267-T271 VanDerWaalsContact O-CB 3.25Å; W267-T271 WeakPolarHBondContact O-CB 3.48Å; W267-T271 PolarHBondContact O-N 2.82Å; W267-T271 PolarHBondContact O-OG1 2.96Å; W267-M292 HydrophobicContact CH2-CG 3.87Å; W267-M292 HydrophobicContact CH2-SD 4.07Å; W267-M292 HydrophobicContact CZ2-CG 4.15Å; W267-M292 HydrophobicContact CZ3-SD 4.34Å; W267-L301 HydrophobicContact CB-CB 4.28Å; W267-L301 HydrophobicContact CB-CD1 3.98Å; W267-L301 HydrophobicContact CD2-CB 3.76Å; W267-L301 HydrophobicContact CD2-CD1 4.04Å; W267-L301 HydrophobicContact CD2-CG 4.33Å; W267-L301 HydrophobicContact CE3-CB 4.39Å; W267-L301 HydrophobicContact CE3-CD1 4Å; W267-L301 HydrophobicContact CE3-CD2 4.38Å; W267-L301 HydrophobicContact CE3-CG 4.5Å; W267-L301 HydrophobicContact CG-CB 3.67Å; W267-L301 HydrophobicContact CG-CD1 4.05Å; W267-L301 HydrophobicContact CG-CG 4.46Å; W267-L301 HydrophobicContact CZ3-CD2 4.48Å; W267-W302 PolarHBondContact NE1-O 2.74Å; W267-W302 VanDerWaalsContact NE1-O 3.09Å
268	A	78	Confident	76.7	Confident	34 Å²	34	50.4 Å²	50.4	28%	0.281	27%	0.272	S	S	.	.	H	α-helix	trans	-61	-45.1	179.1	0	0	0	0	0	111.1	E264 T271 E272	E264-A268 WeakPolarHBondContact O-CB 3.25Å; E264-A268 PolarHBondContact O-N 3.41Å; A268-T271 PolarHBondContact O-N 3.16Å; A268-E272 VanDerWaalsContact O-CB 3.25Å; A268-E272 WeakPolarHBondContact O-CB 3.32Å; A268-E272 PolarHBondContact O-N 3.4Å
269	R	76.1	Confident	76	Confident	34 Å²	34	50.2 Å²	50.2	13%	0.128	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-47.9	176.6	-171.5	-176.3	-59.2	132.7	-1.8	112.1	A265 W267 T271 E272 I273 G378 P428	A265-R269 WeakPolarHBondContact O-CB 3.49Å; A265-R269 PolarHBondContact O-N 2.8Å; W267-R269 PolarHBondContact O-N 2.84Å; R269-T271 VanDerWaalsContact C-N 3.33Å; R269-T271 PolarHBondContact O-N 3.23Å; R269-E272 PolarHBondContact O-N 2.92Å; R269-I273 HydrophobicContact CG-CD1 3.97Å; R269-I273 WeakPolarHBondContact O-CB 3.43Å; R269-I273 VanDerWaalsContact O-CG1 3.25Å; R269-I273 WeakPolarHBondContact O-CG1 3.31Å; R269-I273 PolarHBondContact O-N 3.32Å; R269-G378 PolarHBondContact NH1-O 3.12Å; R269-P428 PolarHBondContact NH2-O 3.17Å
270	E	81.2	Confident	75.9	Confident	4 Å²	4	57.1 Å²	57.1	2%	0.019	30%	0.298	C	S	.	.	H	α-helix	trans	-62.3	-43.4	-179.6	-166.8	162.1	-170.4	0	0	111	K257 F259 S266 W267 I273 Y274 L303 D376 L377	K257-E270 IonicContact NZ-OE1 2.7Å; K257-E270 IonicContact NZ-OE2 3.59Å; K257-E270 PolarHBondContact NZ-OE2 3.01Å; F259-E270 WeakPolarHBondContact CZ-OE2 3.46Å; S266-E270 WeakPolarHBondContact O-CB 3.26Å; S266-E270 PolarHBondContact O-N 3.24Å; W267-E270 PolarHBondContact O-N 2.72Å; E270-I273 PolarHBondContact O-N 3.37Å; E270-Y274 HydrophobicContact CG-CD2 3.89Å; E270-Y274 HydrophobicContact CG-CE2 3.67Å; E270-Y274 WeakPolarHBondContact O-CD2 3.37Å; E270-Y274 PolarHBondContact O-N 3.1Å; E270-L303 VanDerWaalsContact CD-CD2 3.44Å; E270-L303 HydrophobicContact CG-CD2 3.86Å; E270-L303 WeakPolarHBondContact OE1-CD2 3.19Å; E270-D376 WeakPolarHBondContact OE1-CA 3.44Å; E270-L377 HydrophobicContact CG-CB 4.41Å; E270-L377 PolarHBondContact OE1-N 3.4Å
271	T	79.9	Confident	76.2	Confident	17 Å²	17	56.4 Å²	56.4	10%	0.104	29%	0.289	C	S	.	.	H	α-helix	trans	-63.4	-46.3	176.6	-58.2	0	0	0	0	112.1	W267 A268 R269 I273 Y274 N275 S290	W267-T271 VanDerWaalsContact O-CB 3.25Å; W267-T271 WeakPolarHBondContact O-CB 3.48Å; W267-T271 PolarHBondContact O-N 2.82Å; W267-T271 PolarHBondContact O-OG1 2.96Å; A268-T271 PolarHBondContact O-N 3.16Å; R269-T271 VanDerWaalsContact C-N 3.33Å; R269-T271 PolarHBondContact O-N 3.23Å; T271-I273 PolarHBondContact O-N 2.92Å; T271-Y274 PolarHBondContact O-N 2.83Å; T271-N275 WeakPolarHBondContact CG2-ND2 3.39Å; T271-N275 WeakPolarHBondContact O-CB 3.33Å; T271-N275 VanDerWaalsContact O-CG 3.26Å; T271-N275 PolarHBondContact O-N 3Å; T271-N275 PolarHBondContact O-ND2 3.03Å; T271-N275 VanDerWaalsContact O-ND2 3.11Å; T271-S290 VanDerWaalsContact CG2-OG 3.3Å; T271-S290 WeakPolarHBondContact CG2-OG 3.31Å; T271-S290 PolarHBondContact OG1-OG 3.32Å
272	E	80.9	Confident	76.9	Confident	83 Å²	83	55.3 Å²	55.3	39%	0.388	28%	0.28	S	S	.	.	H	α-helix	trans	-59.7	-47	177.4	-177	-176.9	180	0	0	110.9	A268 R269 N275 T276	A268-E272 VanDerWaalsContact O-CB 3.25Å; A268-E272 WeakPolarHBondContact O-CB 3.32Å; A268-E272 PolarHBondContact O-N 3.4Å; R269-E272 PolarHBondContact O-N 2.92Å; E272-N275 CarbonylContact O-C 3.5Å; E272-N275 PolarHBondContact O-N 2.95Å; E272-N275 VanDerWaalsContact O-N 3.16Å; E272-T276 WeakPolarHBondContact O-CG2 3.33Å; E272-T276 PolarHBondContact O-N 3.14Å
273	I	75.7	Confident	78	Confident	5 Å²	5	45 Å²	45	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-59.9	-51.9	178.5	-70.2	176.7	0	0	0	109.8	R269 E270 T271 N275 T276 L279 I354 L377 A380 V382	R269-I273 HydrophobicContact CG-CD1 3.97Å; R269-I273 WeakPolarHBondContact O-CB 3.43Å; R269-I273 VanDerWaalsContact O-CG1 3.25Å; R269-I273 WeakPolarHBondContact O-CG1 3.31Å; R269-I273 PolarHBondContact O-N 3.32Å; E270-I273 PolarHBondContact O-N 3.37Å; T271-I273 PolarHBondContact O-N 2.92Å; I273-N275 PolarHBondContact O-N 2.91Å; I273-T276 WeakPolarHBondContact O-CB 3.24Å; I273-T276 PolarHBondContact O-N 3.21Å; I273-T276 PolarHBondContact O-OG1 2.86Å; I273-L279 HydrophobicContact CG2-CD1 3.49Å; I273-L279 VanDerWaalsContact CG2-CD1 3.49Å; I273-L279 WeakPolarHBondContact O-CD1 3.48Å; I273-I354 HydrophobicContact CG2-CD1 4.11Å; I273-L377 HydrophobicContact CG2-CB 4.19Å; I273-L377 HydrophobicContact CG2-CD1 3.71Å; I273-A380 HydrophobicContact CD1-CB 3.65Å; I273-V382 HydrophobicContact CD1-CG2 4.22Å; I273-V382 HydrophobicContact CG1-CG2 3.92Å
274	Y	76.7	Confident	78.9	Confident	17 Å²	17	43.7 Å²	43.7	7%	0.067	24%	0.235	C	C	.	.	H	α-helix	trans	-59.9	-29.2	177.8	-81.5	-60	0	0	0	114.1	E270 T271 T276 Y287 L303 L377	E270-Y274 HydrophobicContact CG-CD2 3.89Å; E270-Y274 HydrophobicContact CG-CE2 3.67Å; E270-Y274 WeakPolarHBondContact O-CD2 3.37Å; E270-Y274 PolarHBondContact O-N 3.1Å; T271-Y274 PolarHBondContact O-N 2.83Å; Y274-T276 VanDerWaalsContact C-N 3.34Å; Y274-Y287 AromaticContact CD1-CG 3.99Å; Y274-Y287 HydrophobicContact CD1-CG 3.99Å; Y274-Y287 AromaticContact CD2-CD2 3.95Å; Y274-Y287 HydrophobicContact CD2-CD2 3.95Å; Y274-Y287 HydrophobicContact CD2-CG 4.14Å; Y274-Y287 HydrophobicContact CG-CD1 4.23Å; Y274-Y287 AromaticContact CG-CD2 3.94Å; Y274-Y287 HydrophobicContact CG-CD2 3.94Å; Y274-Y287 AromaticContact CG-CG 3.65Å; Y274-Y287 HydrophobicContact CG-CG 3.65Å; Y274-L303 HydrophobicContact CD2-CD1 4.33Å; Y274-L303 HydrophobicContact CE2-CD2 4.34Å; Y274-L377 HydrophobicContact CD1-CD1 4.28Å; Y274-L377 HydrophobicContact CE1-CD1 3.85Å; Y274-L377 HydrophobicContact CE2-CD1 4.39Å
275	N	74.8	Confident	79.6	Confident	102 Å²	102	39.1 Å²	39.1	55%	0.545	21%	0.214	S	C	.	.	H	α-helix	trans	-83	-5.9	175	-71.5	-32.6	0	0	0	113.7	T271 E272 I273 G277 Y287	T271-N275 WeakPolarHBondContact CG2-ND2 3.39Å; T271-N275 WeakPolarHBondContact O-CB 3.33Å; T271-N275 VanDerWaalsContact O-CG 3.26Å; T271-N275 PolarHBondContact O-N 3Å; T271-N275 PolarHBondContact O-ND2 3.03Å; T271-N275 VanDerWaalsContact O-ND2 3.11Å; E272-N275 CarbonylContact O-C 3.5Å; E272-N275 PolarHBondContact O-N 2.95Å; E272-N275 VanDerWaalsContact O-N 3.16Å; I273-N275 PolarHBondContact O-N 2.91Å; N275-G277 PolarHBondContact O-N 2.65Å; N275-G277 VanDerWaalsContact O-N 3.14Å; N275-Y287 WeakPolarHBondContact OD1-CE1 3.48Å
276	T	67.9	Low	80.3	Confident	31 Å²	31	39 Å²	39	19%	0.19	21%	0.213	C	C	.	.	S	Bend	trans	-62	119.2	168.1	63	0	0	0	0	108.2	E272 I273 Y274 L278 L279	E272-T276 WeakPolarHBondContact O-CG2 3.33Å; E272-T276 PolarHBondContact O-N 3.14Å; I273-T276 WeakPolarHBondContact O-CB 3.24Å; I273-T276 PolarHBondContact O-N 3.21Å; I273-T276 PolarHBondContact O-OG1 2.86Å; Y274-T276 VanDerWaalsContact C-N 3.34Å; T276-L278 PolarHBondContact O-N 3.45Å; T276-L279 PolarHBondContact O-N 3.22Å; T276-L279 WeakPolarHBondContact OG1-CD1 3.38Å; T276-L279 VanDerWaalsContact OG1-CG 3.29Å; T276-L279 WeakPolarHBondContact OG1-CG 3.26Å
277	G	60.4	Low	80.9	Confident	40 Å²	40	40.2 Å²	40.2	41%	0.412	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49	131.7	-174.2	0	0	0	0	0	111.2	N275	N275-G277 PolarHBondContact O-N 2.65Å; N275-G277 VanDerWaalsContact O-N 3.14Å
278	L	65.5	Low	81.1	Confident	83 Å²	83	40.1 Å²	40.1	44%	0.435	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	18.9	-178.6	-49.2	180	0	0	0	118.8	T276 R280 F340 H349	T276-L278 PolarHBondContact O-N 3.45Å; L278-R280 PolarHBondContact O-N 2.84Å; L278-F340 WeakPolarHBondContact O-CZ 3.5Å; L278-H349 HydrophobicContact CD1-CB 3.8Å; L278-H349 WeakPolarHBondContact CD1-O 3.3Å; L278-H349 HydrophobicContact CD2-CB 4.12Å; L278-H349 HydrophobicContact CG-CB 3.77Å
279	L	77.3	Confident	81.5	Confident	14 Å²	14	39.1 Å²	39.1	7%	0.073	21%	0.207	C	C	.	.			trans	-71.6	27.8	170.5	-72.5	-164.5	0	0	0	116.6	I273 T276 F340 K351 I354 L377	I273-L279 HydrophobicContact CG2-CD1 3.49Å; I273-L279 VanDerWaalsContact CG2-CD1 3.49Å; I273-L279 WeakPolarHBondContact O-CD1 3.48Å; T276-L279 PolarHBondContact O-N 3.22Å; T276-L279 WeakPolarHBondContact OG1-CD1 3.38Å; T276-L279 VanDerWaalsContact OG1-CG 3.29Å; T276-L279 WeakPolarHBondContact OG1-CG 3.26Å; L279-F340 HydrophobicContact CD2-CE1 4.19Å; L279-K351 HydrophobicContact CD2-CD 3.86Å; L279-K351 HydrophobicContact CD2-CG 3.87Å; L279-I354 HydrophobicContact CD1-CD1 3.8Å; L279-I354 HydrophobicContact CD2-CD1 3.64Å; L279-I354 HydrophobicContact CG-CD1 4.3Å; L279-L377 HydrophobicContact CD1-CD1 4.33Å
280	R	82.4	Confident	82	Confident	148 Å²	148	38.9 Å²	38.9	56%	0.558	21%	0.21	S	C	*	.			trans	-94	119.6	176.9	-67.5	-170.3	179.3	154.3	19.9	111.4	Y165 L278	Y165-R280 VanDerWaalsContact CZ-CZ 3.48Å; Y165-R280 VanDerWaalsContact CZ-NH1 3.31Å; Y165-R280 PolarHBondContact OH-NH1 3.44Å; Y165-R280 PolarHBondContact OH-NH2 3.34Å; L278-R280 PolarHBondContact O-N 2.84Å
281	H	88.2	Confident	82.3	Confident	34 Å²	34	39.8 Å²	39.8	16%	0.157	22%	0.215	C	C	.	.			trans	-150.7	143.3	174.3	-175.8	-93.2	0	0	0	109	N283 L284 F340	H281-N283 PolarHBondContact CE1-OD1 2.71Å; H281-N283 VanDerWaalsContact CE1-OD1 3.31Å; H281-N283 PolarHBondContact ND1-N 3.09Å; H281-N283 PolarHBondContact O-N 3.43Å; H281-N283 VanDerWaalsContact O-N 3.16Å; H281-L284 HydrophobicContact CB-CB 4.26Å; H281-L284 HydrophobicContact CB-CD1 4.18Å; H281-L284 HydrophobicContact CB-CG 4.01Å; H281-L284 PolarHBondContact O-N 3.46Å; H281-F340 HydrophobicContact CB-CB 4.41Å; H281-F340 HydrophobicContact CB-CD1 3.66Å; H281-F340 HydrophobicContact CB-CD2 4.15Å; H281-F340 HydrophobicContact CB-CE1 3.8Å; H281-F340 HydrophobicContact CB-CE2 4.28Å; H281-F340 HydrophobicContact CB-CG 3.8Å; H281-F340 HydrophobicContact CB-CZ 4.09Å; H281-F340 AromaticContact CD2-CD2 3.63Å; H281-F340 AromaticContact CD2-CG 3.7Å; H281-F340 AromaticContact CG-CG 3.76Å
282	P	90.8	Very high	82.5	Confident	47 Å²	47	44.2 Å²	44.2	31%	0.305	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.4	-179.1	23.3	-36.9	0	0	0	114.3	L153 M367	L153-P282 HydrophobicContact CD2-CB 3.27Å; L153-P282 HydrophobicContact CD2-CG 3.53Å; P282-M367 WeakPolarHBondContact O-CE 3.01Å
283	N	96.8	Very high	82.6	Confident	13 Å²	13	41.3 Å²	41.3	7%	0.07	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	23.2	178.5	-49	112.4	0	0	0	113.3	H281 S333 A336 G337 A372 C373 I374	H281-N283 PolarHBondContact CE1-OD1 2.71Å; H281-N283 VanDerWaalsContact CE1-OD1 3.31Å; H281-N283 PolarHBondContact ND1-N 3.09Å; H281-N283 PolarHBondContact O-N 3.43Å; H281-N283 VanDerWaalsContact O-N 3.16Å; N283-S333 WeakPolarHBondContact CB-O 3.4Å; N283-S333 WeakPolarHBondContact ND2-CB 3.35Å; N283-A336 HydrophobicContact CB-CB 4.5Å; N283-G337 WeakPolarHBondContact O-CA 3.43Å; N283-A372 WeakPolarHBondContact CA-O 3.43Å; N283-A372 WeakPolarHBondContact CB-O 3.49Å; N283-A372 PolarHBondContact ND2-O 3.12Å; N283-C373 VanDerWaalsContact O-CA 3.3Å; N283-C373 WeakPolarHBondContact O-CA 3.32Å; N283-I374 PolarHBondContact O-N 3.36Å
284	L	94.4	Very high	82.9	Confident	10 Å²	10	45.5 Å²	45.5	5%	0.052	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-119.7	142.4	163.5	-68.3	-173.1	0	0	0	108.9	H281 A286 F340 L341 I374	H281-L284 HydrophobicContact CB-CB 4.26Å; H281-L284 HydrophobicContact CB-CD1 4.18Å; H281-L284 HydrophobicContact CB-CG 4.01Å; H281-L284 PolarHBondContact O-N 3.46Å; L284-A286 PolarHBondContact O-N 2.67Å; L284-F340 HydrophobicContact CD1-CD1 3.46Å; L284-F340 VanDerWaalsContact CD1-CD1 3.46Å; L284-F340 HydrophobicContact CD1-CE1 3.74Å; L284-F340 HydrophobicContact CG-CD1 4.28Å; L284-L341 HydrophobicContact CD1-CD2 3.77Å; L284-L341 HydrophobicContact CD1-CG 4.14Å; L284-L341 HydrophobicContact CD2-CD1 3.9Å; L284-L341 HydrophobicContact CD2-CD2 4.24Å; L284-L341 HydrophobicContact CD2-CG 3.91Å; L284-I374 HydrophobicContact CD2-CB 3.88Å
285	L	93.7	Very high	82.8	Confident	14 Å²	14	50.8 Å²	50.8	7%	0.073	27%	0.272	C	S	.	.			trans	-58.1	123.3	178.9	178.2	57.3	0	0	0	109.9	Y287 T305 A306 L365 I374 A375	L285-Y287 PolarHBondContact O-N 3.32Å; L285-Y287 VanDerWaalsContact O-N 3.14Å; L285-T305 HydrophobicContact CD2-CG2 3.95Å; L285-T305 HydrophobicContact CG-CG2 4.2Å; L285-A306 HydrophobicContact CD1-CB 4.13Å; L285-L365 HydrophobicContact CD1-CD1 3.9Å; L285-L365 HydrophobicContact CD2-CD1 4.07Å; L285-I374 PolarHBondContact N-O 3.27Å; L285-A375 HydrophobicContact CB-CB 3.93Å; L285-A375 HydrophobicContact CD2-CB 3.58Å; L285-A375 HydrophobicContact CG-CB 4.38Å
286	A	90.3	Very high	82.6	Confident	45 Å²	45	50 Å²	50	37%	0.372	29%	0.289	S	S	.	.			trans	-68.6	114.2	-179.2	0	0	0	0	0	110.2	L284 Y288 T305 A306	L284-A286 PolarHBondContact O-N 2.67Å; A286-Y288 HydrophobicContact CB-CE1 4.04Å; A286-T305 CarbonylContact O-C 3.55Å; A286-T305 VanDerWaalsContact O-CA 3.24Å; A286-T305 WeakPolarHBondContact O-CA 3.15Å; A286-T305 WeakPolarHBondContact O-CB 3.42Å; A286-A306 HydrophobicContact CB-CB 4.03Å; A286-A306 PolarHBondContact O-N 3.41Å
287	Y	86.8	Confident	83	Confident	40 Å²	40	52.3 Å²	52.3	16%	0.157	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	133.8	170.8	167.4	-102.7	0	0	0	110.7	Y274 N275 L285 A289 S290 L303	Y274-Y287 AromaticContact CD1-CG 3.99Å; Y274-Y287 HydrophobicContact CD1-CG 3.99Å; Y274-Y287 AromaticContact CD2-CD2 3.95Å; Y274-Y287 HydrophobicContact CD2-CD2 3.95Å; Y274-Y287 HydrophobicContact CD2-CG 4.14Å; Y274-Y287 HydrophobicContact CG-CD1 4.23Å; Y274-Y287 AromaticContact CG-CD2 3.94Å; Y274-Y287 HydrophobicContact CG-CD2 3.94Å; Y274-Y287 AromaticContact CG-CG 3.65Å; Y274-Y287 HydrophobicContact CG-CG 3.65Å; N275-Y287 WeakPolarHBondContact OD1-CE1 3.48Å; L285-Y287 PolarHBondContact O-N 3.32Å; L285-Y287 VanDerWaalsContact O-N 3.14Å; Y287-A289 VanDerWaalsContact CE2-O 3.24Å; Y287-A289 WeakPolarHBondContact CE2-O 3.44Å; Y287-A289 VanDerWaalsContact CZ-C 3.48Å; Y287-A289 VanDerWaalsContact OH-C 3.31Å; Y287-S290 WeakPolarHBondContact CE2-OG 3.3Å; Y287-S290 WeakPolarHBondContact OH-CB 3.43Å; Y287-S290 PolarHBondContact OH-N 3.13Å; Y287-S290 PolarHBondContact OH-OG 3.18Å; Y287-L303 HydrophobicContact CD2-CD1 3.81Å; Y287-L303 HydrophobicContact CD2-CG 4.45Å; Y287-L303 HydrophobicContact CE2-CD1 3.55Å; Y287-L303 HydrophobicContact CE2-CG 4.48Å
288	Y	85.9	Confident	83.8	Confident	28 Å²	28	53.6 Å²	53.6	11%	0.11	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-53.3	-179.1	-62.6	-29.1	0	0	0	112.1	L168 V254 A286 I304 T305 A306	L168-Y288 HydrophobicContact CD1-CG 4.4Å; V254-Y288 HydrophobicContact CG1-CD2 4.11Å; V254-Y288 HydrophobicContact CG1-CE2 3.95Å; A286-Y288 HydrophobicContact CB-CE1 4.04Å; Y288-I304 WeakPolarHBondContact CB-O 3.39Å; Y288-I304 HydrophobicContact CD2-CG2 4.15Å; Y288-I304 PolarHBondContact N-O 3.33Å; Y288-T305 VanDerWaalsContact CD2-C 3.44Å; Y288-T305 WeakPolarHBondContact CE2-O 3.41Å; Y288-A306 VanDerWaalsContact CE2-CA 3.48Å; Y288-A306 HydrophobicContact CE2-CB 4.23Å; Y288-A306 VanDerWaalsContact CE2-N 3.28Å; Y288-A306 WeakPolarHBondContact OH-CA 3.46Å; Y288-A306 VanDerWaalsContact OH-CB 3.28Å; Y288-A306 WeakPolarHBondContact OH-CB 3.29Å
289	A	85.7	Confident	84.7	Confident	12 Å²	12	53.2 Å²	53.2	10%	0.099	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	164.3	-177.4	0	0	0	0	0	111.1	L168 V226 Y287 I304	L168-A289 HydrophobicContact CD1-CB 4.46Å; V226-A289 HydrophobicContact CG1-CB 4.04Å; V226-A289 HydrophobicContact CG2-CB 4.44Å; Y287-A289 VanDerWaalsContact CE2-O 3.24Å; Y287-A289 WeakPolarHBondContact CE2-O 3.44Å; Y287-A289 VanDerWaalsContact CZ-C 3.48Å; Y287-A289 VanDerWaalsContact OH-C 3.31Å; A289-I304 HydrophobicContact CB-CD1 4.28Å; A289-I304 PolarHBondContact N-O 3.01Å; A289-I304 WeakPolarHBondContact O-CB 3.49Å; A289-I304 VanDerWaalsContact O-CD1 3.24Å; A289-I304 WeakPolarHBondContact O-CD1 3.35Å; A289-I304 PolarHBondContact O-N 3.31Å
290	S	86	Confident	85.2	Confident	29 Å²	29	54.5 Å²	54.5	20%	0.203	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.1	165.8	-52.2	0	0	0	0	108.2	T271 Y287 W302	T271-S290 VanDerWaalsContact CG2-OG 3.3Å; T271-S290 WeakPolarHBondContact CG2-OG 3.31Å; T271-S290 PolarHBondContact OG1-OG 3.32Å; Y287-S290 WeakPolarHBondContact CE2-OG 3.3Å; Y287-S290 WeakPolarHBondContact OH-CB 3.43Å; Y287-S290 PolarHBondContact OH-N 3.13Å; Y287-S290 PolarHBondContact OH-OG 3.18Å; S290-W302 CarbonylContact C-O 3.5Å; S290-W302 VanDerWaalsContact CA-O 3.24Å; S290-W302 WeakPolarHBondContact CA-O 3.39Å
291	D	87.3	Confident	85.5	Confident	24 Å²	24	47.7 Å²	47.7	13%	0.128	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	158.4	-178.5	-163.1	8.3	0	0	0	111.2	T225 V226 A227 W302 I304	T225-D291 WeakPolarHBondContact CB-OD2 3.39Å; T225-D291 PolarHBondContact OG1-OD2 3.41Å; V226-D291 PolarHBondContact N-OD2 3.34Å; A227-D291 HydrophobicContact CB-CB 4.03Å; A227-D291 WeakPolarHBondContact CB-OD2 3.47Å; A227-D291 PolarHBondContact N-OD2 2.84Å; D291-W302 PolarHBondContact N-O 3.27Å; D291-W302 PolarHBondContact O-N 3.35Å; D291-I304 HydrophobicContact CB-CD1 4.49Å
292	M	84.4	Confident	85.7	Confident	109 Å²	109	46 Å²	46	54%	0.537	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.3	177.4	-60.3	-175.3	-81.3	0	0	108.9	W267 L301	W267-M292 HydrophobicContact CH2-CG 3.87Å; W267-M292 HydrophobicContact CH2-SD 4.07Å; W267-M292 HydrophobicContact CZ2-CG 4.15Å; W267-M292 HydrophobicContact CZ3-SD 4.34Å; M292-L301 HydrophobicContact CB-CD2 4.29Å; M292-L301 HydrophobicContact CG-CD2 3.55Å; M292-L301 HydrophobicContact SD-CD2 3.8Å
293	I	84.4	Confident	85.7	Confident	23 Å²	23	43.9 Å²	43.9	12%	0.118	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	135.4	-177.4	-169.7	168.8	0	0	0	111	A227 R228 Q300 W302	A227-I293 HydrophobicContact CB-CB 4.14Å; A227-I293 HydrophobicContact CB-CD1 4.02Å; A227-I293 HydrophobicContact CB-CG2 4.34Å; R228-I293 HydrophobicContact CG-CD1 4.22Å; I293-Q300 HydrophobicContact CG2-CB 4.06Å; I293-Q300 PolarHBondContact N-O 3Å; I293-Q300 PolarHBondContact O-N 3.08Å; I293-W302 HydrophobicContact CG2-CD2 4.18Å; I293-W302 HydrophobicContact CG2-CG 4.31Å; I293-W302 HydrophobicContact CG2-CZ2 4.1Å
294	S	81.1	Confident	85.4	Confident	92 Å²	92	43.3 Å²	43.3	64%	0.643	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	117	167	-179.1	0	0	0	0	109
295	R	74	Confident	85.4	Confident	128 Å²	128	43.4 Å²	43.4	48%	0.483	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	120.5	-178.6	-167.1	175.8	162.1	151.4	-2.9	109.4	G297 C298	R295-G297 VanDerWaalsContact C-N 3.32Å; R295-G297 PolarHBondContact O-N 2.84Å; R295-C298 PolarHBondContact N-O 3.26Å; R295-C298 PolarHBondContact O-N 3.19Å; R295-C298 PolarHBondContact O-SG 3.3Å
296	G	71.8	Confident	85.3	Confident	87 Å²	87	43.1 Å²	43.1	90%	0.897	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	27.4	-177.9	0	0	0	0	0	114.4	C298	G296-C298 VanDerWaalsContact C-N 3.27Å; G296-C298 PolarHBondContact O-N 3.47Å
297	G	75.4	Confident	85.5	Confident	78 Å²	78	44 Å²	44	80%	0.804	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	1.2	-179	0	0	0	0	0	114.9	R295	R295-G297 VanDerWaalsContact C-N 3.32Å; R295-G297 PolarHBondContact O-N 2.84Å
298	C	78.2	Confident	85.9	Confident	67 Å²	67	43.8 Å²	43.8	45%	0.453	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	142.9	173.3	62	0	0	0	0	111.7	R295 G296	R295-C298 PolarHBondContact N-O 3.26Å; R295-C298 PolarHBondContact O-N 3.19Å; R295-C298 PolarHBondContact O-SG 3.3Å; G296-C298 VanDerWaalsContact C-N 3.27Å; G296-C298 PolarHBondContact O-N 3.47Å
299	T	83.5	Confident	86.3	Confident	76 Å²	76	45.5 Å²	45.5	47%	0.466	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	127.1	171.6	-53	0	0	0	0	109.2	L301	T299-L301 HydrophobicContact CG2-CD2 4.45Å
300	Q	88.3	Confident	86.8	Confident	41 Å²	41	47.4 Å²	47.4	19%	0.192	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.2	175.1	-63.2	-175.9	-11.7	0	0	109.1	I258 I293 W302	I258-Q300 HydrophobicContact CG2-CB 3.98Å; I258-Q300 HydrophobicContact CG2-CG 4.18Å; I293-Q300 HydrophobicContact CG2-CB 4.06Å; I293-Q300 PolarHBondContact N-O 3Å; I293-Q300 PolarHBondContact O-N 3.08Å; Q300-W302 VanDerWaalsContact OE1-NE1 3.14Å
301	L	89.1	Confident	87.2	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.021	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.7	175.9	-45.9	169.2	0	0	0	107.8	F259 E264 W267 M292 T299	F259-L301 HydrophobicContact CB-CB 4.18Å; F259-L301 PolarHBondContact N-O 2.99Å; F259-L301 PolarHBondContact O-N 2.81Å; E264-L301 HydrophobicContact CB-CD1 3.76Å; E264-L301 HydrophobicContact CG-CD1 3.91Å; W267-L301 HydrophobicContact CB-CB 4.28Å; W267-L301 HydrophobicContact CB-CD1 3.98Å; W267-L301 HydrophobicContact CD2-CB 3.76Å; W267-L301 HydrophobicContact CD2-CD1 4.04Å; W267-L301 HydrophobicContact CD2-CG 4.33Å; W267-L301 HydrophobicContact CE3-CB 4.39Å; W267-L301 HydrophobicContact CE3-CD1 4Å; W267-L301 HydrophobicContact CE3-CD2 4.38Å; W267-L301 HydrophobicContact CE3-CG 4.5Å; W267-L301 HydrophobicContact CG-CB 3.67Å; W267-L301 HydrophobicContact CG-CD1 4.05Å; W267-L301 HydrophobicContact CG-CG 4.46Å; W267-L301 HydrophobicContact CZ3-CD2 4.48Å; M292-L301 HydrophobicContact CB-CD2 4.29Å; M292-L301 HydrophobicContact CG-CD2 3.55Å; M292-L301 HydrophobicContact SD-CD2 3.8Å; T299-L301 HydrophobicContact CG2-CD2 4.45Å
302	W	91.9	Very high	87.7	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	135.3	-173.9	-74.1	27.3	0	0	0	109.6	A227 I230 L232 V256 I258 W267 S290 D291 I293 Q300 I304	A227-W302 HydrophobicContact CB-CD2 4.06Å; A227-W302 HydrophobicContact CB-CE3 3.61Å; A227-W302 HydrophobicContact CB-CZ3 3.95Å; I230-W302 HydrophobicContact CB-CZ3 3.97Å; I230-W302 HydrophobicContact CG2-CZ3 3.88Å; L232-W302 HydrophobicContact CD1-CH2 3.89Å; L232-W302 HydrophobicContact CD1-CZ2 3.87Å; L232-W302 HydrophobicContact CD2-CH2 3.67Å; L232-W302 HydrophobicContact CD2-CZ2 4.25Å; L232-W302 HydrophobicContact CD2-CZ3 4Å; L232-W302 HydrophobicContact CG-CH2 3.74Å; L232-W302 HydrophobicContact CG-CZ2 4.25Å; V256-W302 HydrophobicContact CG1-CB 4.15Å; V256-W302 HydrophobicContact CG1-CD2 3.6Å; V256-W302 HydrophobicContact CG1-CE3 3.45Å; V256-W302 VanDerWaalsContact CG1-CE3 3.45Å; V256-W302 HydrophobicContact CG1-CG 3.93Å; V256-W302 HydrophobicContact CG1-CZ3 4.05Å; I258-W302 HydrophobicContact CD1-CZ2 4.11Å; I258-W302 HydrophobicContact CG1-CD2 4.48Å; I258-W302 HydrophobicContact CG1-CG 4.44Å; W267-W302 PolarHBondContact NE1-O 2.74Å; W267-W302 VanDerWaalsContact NE1-O 3.09Å; S290-W302 CarbonylContact C-O 3.5Å; S290-W302 VanDerWaalsContact CA-O 3.24Å; S290-W302 WeakPolarHBondContact CA-O 3.39Å; D291-W302 PolarHBondContact N-O 3.27Å; D291-W302 PolarHBondContact O-N 3.35Å; I293-W302 HydrophobicContact CG2-CD2 4.18Å; I293-W302 HydrophobicContact CG2-CG 4.31Å; I293-W302 HydrophobicContact CG2-CZ2 4.1Å; Q300-W302 VanDerWaalsContact OE1-NE1 3.14Å; W302-I304 HydrophobicContact CB-CD1 4.01Å
303	L	90.5	Very high	88.3	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	118.7	168.1	-176	84.4	0	0	0	107.8	V256 K257 F259 E270 Y274 Y287 T305	V256-L303 WeakPolarHBondContact CA-O 2.86Å; K257-L303 HydrophobicContact CB-CB 4.29Å; K257-L303 HydrophobicContact CD-CD2 4.33Å; K257-L303 PolarHBondContact N-O 3.35Å; K257-L303 PolarHBondContact O-N 2.81Å; F259-L303 HydrophobicContact CE2-CB 3.85Å; E270-L303 VanDerWaalsContact CD-CD2 3.44Å; E270-L303 HydrophobicContact CG-CD2 3.86Å; E270-L303 WeakPolarHBondContact OE1-CD2 3.19Å; Y274-L303 HydrophobicContact CD2-CD1 4.33Å; Y274-L303 HydrophobicContact CE2-CD2 4.34Å; Y287-L303 HydrophobicContact CD2-CD1 3.81Å; Y287-L303 HydrophobicContact CD2-CG 4.45Å; Y287-L303 HydrophobicContact CE2-CD1 3.55Å; Y287-L303 HydrophobicContact CE2-CG 4.48Å; L303-T305 HydrophobicContact CD2-CG2 4.39Å; L303-T305 HydrophobicContact CG-CG2 4.37Å
304	I	91.6	Very high	88.9	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.2	-173	-54.7	85.3	0	0	0	109.1	I230 V254 A255 V256 Y288 A289 D291 W302	I230-I304 HydrophobicContact CD1-CB 4.48Å; I230-I304 HydrophobicContact CD1-CD1 4.47Å; I230-I304 HydrophobicContact CD1-CG1 3.6Å; I230-I304 HydrophobicContact CD1-CG2 4Å; V254-I304 HydrophobicContact CB-CG2 4.14Å; V254-I304 HydrophobicContact CG2-CG2 4.14Å; A255-I304 WeakPolarHBondContact O-CA 3.47Å; V256-I304 HydrophobicContact CG2-CG1 4.47Å; Y288-I304 WeakPolarHBondContact CB-O 3.39Å; Y288-I304 HydrophobicContact CD2-CG2 4.15Å; Y288-I304 PolarHBondContact N-O 3.33Å; A289-I304 HydrophobicContact CB-CD1 4.28Å; A289-I304 PolarHBondContact N-O 3.01Å; A289-I304 WeakPolarHBondContact O-CB 3.49Å; A289-I304 VanDerWaalsContact O-CD1 3.24Å; A289-I304 WeakPolarHBondContact O-CD1 3.35Å; A289-I304 PolarHBondContact O-N 3.31Å; D291-I304 HydrophobicContact CB-CD1 4.49Å; W302-I304 HydrophobicContact CB-CD1 4.01Å
305	T	92.4	Very high	89.7	Confident	11 Å²	11	41.5 Å²	41.5	7%	0.067	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	171.8	-177.1	67.1	0	0	0	0	112	A255 L285 A286 Y288 L303	A255-T305 PolarHBondContact N-O 2.87Å; A255-T305 PolarHBondContact O-N 3.29Å; L285-T305 HydrophobicContact CD2-CG2 3.95Å; L285-T305 HydrophobicContact CG-CG2 4.2Å; A286-T305 CarbonylContact O-C 3.55Å; A286-T305 VanDerWaalsContact O-CA 3.24Å; A286-T305 WeakPolarHBondContact O-CA 3.15Å; A286-T305 WeakPolarHBondContact O-CB 3.42Å; Y288-T305 VanDerWaalsContact CD2-C 3.44Å; Y288-T305 WeakPolarHBondContact CE2-O 3.41Å; L303-T305 HydrophobicContact CD2-CG2 4.39Å; L303-T305 HydrophobicContact CG-CG2 4.37Å
306	A	92.2	Very high	90.8	Very high	8 Å²	8	36 Å²	36	7%	0.066	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	142.3	167	0	0	0	0	0	111.3	L285 A286 Y288	L285-A306 HydrophobicContact CD1-CB 4.13Å; A286-A306 HydrophobicContact CB-CB 4.03Å; A286-A306 PolarHBondContact O-N 3.41Å; Y288-A306 VanDerWaalsContact CE2-CA 3.48Å; Y288-A306 HydrophobicContact CE2-CB 4.23Å; Y288-A306 VanDerWaalsContact CE2-N 3.28Å; Y288-A306 WeakPolarHBondContact OH-CA 3.46Å; Y288-A306 VanDerWaalsContact OH-CB 3.28Å; Y288-A306 WeakPolarHBondContact OH-CB 3.29Å
307	Y	94.8	Very high	92	Very high	63 Å²	63	32 Å²	32	25%	0.247	21%	0.205	C	C	.	.			trans	-96.2	129.1	169.9	174.4	-96.4	0	0	0	110.2	I236 K246 T253 A255 A309	I236-Y307 HydrophobicContact CD1-CD2 4.22Å; I236-Y307 HydrophobicContact CD1-CE2 3.98Å; K246-Y307 HydrophobicContact CB-CD2 4.33Å; K246-Y307 HydrophobicContact CB-CE2 4Å; K246-Y307 HydrophobicContact CD-CE1 4.38Å; K246-Y307 HydrophobicContact CD-CE2 3.91Å; K246-Y307 HydrophobicContact CG-CD2 4.03Å; K246-Y307 HydrophobicContact CG-CE2 3.77Å; T253-Y307 HydrophobicContact CG2-CD1 3.38Å; T253-Y307 HydrophobicContact CG2-CD2 4.23Å; T253-Y307 HydrophobicContact CG2-CE1 3.97Å; T253-Y307 HydrophobicContact CG2-CG 3.53Å; A255-Y307 HydrophobicContact CB-CD2 4.44Å; Y307-A309 HydrophobicContact CE1-CB 3.86Å
308	H	95.3	Very high	93	Very high	37 Å²	37	29.6 Å²	29.6	17%	0.171	18%	0.176	C	C	.	.			trans	-116.1	117.3	174.9	-65.2	-67.8	0	0	0	109.9	N310 G311 L365	H308-N310 VanDerWaalsContact C-N 3.31Å; H308-N310 PolarHBondContact O-N 3.29Å; H308-G311 PolarHBondContact O-N 3.16Å; H308-G311 VanDerWaalsContact O-N 3.13Å; H308-L365 HydrophobicContact CB-CB 4.43Å
309	A	94.5	Very high	93.6	Very high	63 Å²	63	34.7 Å²	34.7	52%	0.521	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-26.8	-169.8	0	0	0	0	0	114.1	Y307 G311	Y307-A309 HydrophobicContact CE1-CB 3.86Å; A309-G311 PolarHBondContact O-N 2.96Å
310	N	95.8	Very high	94.1	Very high	52 Å²	52	38.3 Å²	38.3	28%	0.278	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-6.8	176.6	-69	-29.5	0	0	0	112.9	H308 F316 V366 M367	H308-N310 VanDerWaalsContact C-N 3.31Å; H308-N310 PolarHBondContact O-N 3.29Å; N310-F316 HydrophobicContact CB-CD2 3.73Å; N310-F316 HydrophobicContact CB-CE2 3.85Å; N310-V366 HydrophobicContact CB-CB 3.76Å; N310-V366 HydrophobicContact CB-CG1 3.86Å; N310-V366 WeakPolarHBondContact CB-O 3.35Å; N310-M367 PolarHBondContact ND2-O 3.26Å
311	G	95.3	Very high	94.5	Very high	25 Å²	25	39.4 Å²	39.4	26%	0.258	21%	0.211	S	C	.	.			trans	69	-154.7	173.7	0	0	0	0	0	113.6	H308 A309 L365 V366	H308-G311 PolarHBondContact O-N 3.16Å; H308-G311 VanDerWaalsContact O-N 3.13Å; A309-G311 PolarHBondContact O-N 2.96Å; G311-L365 WeakPolarHBondContact O-CA 3.21Å; G311-V366 PolarHBondContact O-N 3.44Å
312	S	96.8	Very high	94.8	Very high	9 Å²	9	39.6 Å²	39.6	6%	0.063	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-72.1	150.5	178.6	80	0	0	0	0	111.4	H314 D315 F316 V364	S312-H314 PolarHBondContact O-N 2.88Å; S312-D315 PolarHBondContact O-N 2.67Å; S312-D315 VanDerWaalsContact O-N 3.15Å; S312-D315 PolarHBondContact OG-N 2.9Å; S312-D315 PolarHBondContact OG-OD2 3.48Å; S312-F316 WeakPolarHBondContact O-CB 3.35Å; S312-F316 PolarHBondContact O-N 3.04Å; S312-V364 CarbonylContact C-O 3.54Å; S312-V364 VanDerWaalsContact CA-O 3.29Å; S312-V364 WeakPolarHBondContact CA-O 3.27Å
313	L	98.2	Very high	95	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.9	-39.7	176.4	177.4	66.5	0	0	0	110.8	D315 F316 I317 L330 I334 S361 V364 V366 V495 L499	L313-D315 PolarHBondContact O-N 3.05Å; L313-F316 PolarHBondContact O-N 2.67Å; L313-I317 HydrophobicContact CD1-CG2 3.73Å; L313-I317 HydrophobicContact CG-CD1 4.29Å; L313-I317 HydrophobicContact CG-CG2 4.47Å; L313-I317 VanDerWaalsContact O-CG1 3.3Å; L313-I317 WeakPolarHBondContact O-CG1 3.31Å; L313-I317 PolarHBondContact O-N 3.13Å; L313-L330 HydrophobicContact CD1-CD1 4.08Å; L313-I334 HydrophobicContact CD2-CD1 3.89Å; L313-S361 WeakPolarHBondContact CB-O 3.39Å; L313-S361 PolarHBondContact N-O 3.39Å; L313-V364 HydrophobicContact CB-CB 3.95Å; L313-V364 HydrophobicContact CB-CG1 3.94Å; L313-V364 HydrophobicContact CD2-CB 4.32Å; L313-V364 HydrophobicContact CD2-CG1 4.07Å; L313-V364 PolarHBondContact N-O 3.33Å; L313-V366 HydrophobicContact CB-CG2 4.2Å; L313-V366 HydrophobicContact CD1-CG2 3.78Å; L313-V495 HydrophobicContact CD2-CG1 3.63Å; L313-L499 HydrophobicContact CD1-CD2 3.81Å; L313-L499 HydrophobicContact CD2-CD1 4.23Å; L313-L499 HydrophobicContact CD2-CD2 4.2Å; L313-L499 HydrophobicContact CD2-CG 4.1Å; L313-L499 HydrophobicContact CG-CD2 4.46Å
314	H	97	Very high	95.2	Very high	30 Å²	30	46 Å²	46	14%	0.139	24%	0.24	C	C	.	.	H	α-helix	trans	-49	-56.9	172.1	171.2	-77.4	0	0	0	111.3	S312 F316 S318 S361 K362 Y514	S312-H314 PolarHBondContact O-N 2.88Å; H314-F316 VanDerWaalsContact C-N 3.32Å; H314-F316 PolarHBondContact O-N 3.04Å; H314-S318 WeakPolarHBondContact O-CB 3.25Å; H314-S318 PolarHBondContact O-N 3.02Å; H314-S318 PolarHBondContact O-OG 3.28Å; H314-S361 PolarHBondContact N-O 2.72Å; H314-K362 HydrophobicContact CB-CG 3.63Å; H314-K362 VanDerWaalsContact CD2-CE 3.44Å; H314-K362 WeakPolarHBondContact CD2-CE 3.47Å; H314-K362 VanDerWaalsContact NE2-CE 3.34Å; H314-K362 WeakPolarHBondContact NE2-CE 3.22Å; H314-Y514 AromaticContact CD2-CZ 3.7Å; H314-Y514 PolarHBondContact CD2-OH 3.12Å; H314-Y514 AromaticContact NE2-CE1 3.95Å
315	D	96.2	Very high	95.4	Very high	89 Å²	89	50 Å²	50	48%	0.476	26%	0.258	S	S	.	.	H	α-helix	trans	-69.5	-34.8	-176	-55.4	-37	0	0	0	111.6	S312 L313	S312-D315 PolarHBondContact O-N 2.67Å; S312-D315 VanDerWaalsContact O-N 3.15Å; S312-D315 PolarHBondContact OG-N 2.9Å; S312-D315 PolarHBondContact OG-OD2 3.48Å; L313-D315 PolarHBondContact O-N 3.05Å
316	F	97.2	Very high	95.6	Very high	14 Å²	14	51.7 Å²	51.7	6%	0.061	27%	0.267	C	S	.	.	H	α-helix	trans	-63.4	-48	179.8	-171.1	-99.4	0	0	0	112.2	N310 S312 L313 H314 R320 L322 V366 M370	N310-F316 HydrophobicContact CB-CD2 3.73Å; N310-F316 HydrophobicContact CB-CE2 3.85Å; S312-F316 WeakPolarHBondContact O-CB 3.35Å; S312-F316 PolarHBondContact O-N 3.04Å; L313-F316 PolarHBondContact O-N 2.67Å; H314-F316 VanDerWaalsContact C-N 3.32Å; H314-F316 PolarHBondContact O-N 3.04Å; F316-R320 WeakPolarHBondContact O-CB 3.21Å; F316-R320 WeakPolarHBondContact O-CD 3.47Å; F316-R320 VanDerWaalsContact O-CG 3.23Å; F316-R320 WeakPolarHBondContact O-CG 3.47Å; F316-L322 HydrophobicContact CE1-CD2 3.86Å; F316-V366 HydrophobicContact CB-CG2 3.89Å; F316-V366 HydrophobicContact CD1-CG1 4.26Å; F316-V366 HydrophobicContact CD1-CG2 3.95Å; F316-V366 HydrophobicContact CD2-CB 4.33Å; F316-V366 HydrophobicContact CD2-CG1 4.22Å; F316-V366 HydrophobicContact CD2-CG2 4.44Å; F316-V366 HydrophobicContact CE1-CG1 4.17Å; F316-V366 HydrophobicContact CE2-CG1 4.13Å; F316-V366 HydrophobicContact CG-CB 4.22Å; F316-V366 HydrophobicContact CG-CG1 4.28Å; F316-V366 HydrophobicContact CG-CG2 3.84Å; F316-V366 HydrophobicContact CZ-CG1 4.11Å; F316-M370 HydrophobicContact CE1-CE 3.77Å; F316-M370 HydrophobicContact CE1-SD 4.27Å; F316-M370 HydrophobicContact CZ-CE 3.8Å; F316-M370 HydrophobicContact CZ-SD 3.73Å
317	I	97.7	Very high	95.9	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-87.9	-13.9	-177.3	71.7	-173.6	0	0	0	113.5	L313 H319 R320 L322 E498 L499 C502 Y514	L313-I317 HydrophobicContact CD1-CG2 3.73Å; L313-I317 HydrophobicContact CG-CD1 4.29Å; L313-I317 HydrophobicContact CG-CG2 4.47Å; L313-I317 VanDerWaalsContact O-CG1 3.3Å; L313-I317 WeakPolarHBondContact O-CG1 3.31Å; L313-I317 PolarHBondContact O-N 3.13Å; I317-H319 PolarHBondContact O-N 3.47Å; I317-R320 PolarHBondContact O-N 2.78Å; I317-L322 HydrophobicContact CG2-CD1 3.94Å; I317-E498 HydrophobicContact CD1-CB 4.09Å; I317-L499 HydrophobicContact CG2-CD2 4.24Å; I317-C502 HydrophobicContact CB-CB 4.17Å; I317-Y514 HydrophobicContact CD1-CD2 3.83Å; I317-Y514 HydrophobicContact CD1-CE2 3.9Å; I317-Y514 HydrophobicContact CG1-CD2 3.56Å; I317-Y514 HydrophobicContact CG1-CE2 3.89Å; I317-Y514 HydrophobicContact CG1-CG 4.41Å
318	S	96.1	Very high	96	Very high	29 Å²	29	48.4 Å²	48.4	20%	0.203	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-30.5	179.6	-74.8	0	0	0	0	114	H314 Y514	H314-S318 WeakPolarHBondContact O-CB 3.25Å; H314-S318 PolarHBondContact O-N 3.02Å; H314-S318 PolarHBondContact O-OG 3.28Å; S318-Y514 WeakPolarHBondContact OG-CD1 3.47Å; S318-Y514 WeakPolarHBondContact OG-CE1 3.4Å
319	H	91.6	Very high	96.2	Very high	173 Å²	173	51.2 Å²	51.2	80%	0.801	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.3	19.1	-175.4	-48.9	93.1	0	0	0	112.2	I317	I317-H319 PolarHBondContact O-N 3.47Å
320	R	94.1	Very high	96.3	Very high	152 Å²	152	48.2 Å²	48.2	57%	0.574	24%	0.237	S	C	*	.			trans	-138.1	138.7	-173.5	-61.2	-175.5	-177.4	-110.9	-1.2	111.5	F316 I317	F316-R320 WeakPolarHBondContact O-CB 3.21Å; F316-R320 WeakPolarHBondContact O-CD 3.47Å; F316-R320 VanDerWaalsContact O-CG 3.23Å; F316-R320 WeakPolarHBondContact O-CG 3.47Å; I317-R320 PolarHBondContact O-N 2.78Å
321	S	95.5	Very high	96.5	Very high	65 Å²	65	45.7 Å²	45.7	46%	0.455	22%	0.224	S	C	.	.			trans	-92.8	144.9	162.2	57.5	0	0	0	0	110.1	C502	S321-C502 CarbonylContact C-O 3.33Å; S321-C502 WeakPolarHBondContact CA-O 3.24Å
322	L	97	Very high	96.6	Very high	8 Å²	8	45.2 Å²	45.2	4%	0.042	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-112.7	145.3	-179.4	-57.8	177.9	0	0	0	110.1	F316 I317 D326 L330 M370 L499 C502 T503 Q504	F316-L322 HydrophobicContact CE1-CD2 3.86Å; I317-L322 HydrophobicContact CG2-CD1 3.94Å; L322-D326 HydrophobicContact CB-CB 4.43Å; L322-L330 HydrophobicContact CD1-CD1 3.68Å; L322-M370 HydrophobicContact CD2-CE 4.16Å; L322-L499 HydrophobicContact CD1-CD2 3.96Å; L322-C502 PolarHBondContact N-O 3.36Å; L322-T503 WeakPolarHBondContact O-CA 3.44Å; L322-Q504 WeakPolarHBondContact O-CB 3.26Å; L322-Q504 WeakPolarHBondContact O-CG 3.32Å; L322-Q504 PolarHBondContact O-N 2.8Å
323	K	95.5	Very high	96.7	Very high	127 Å²	127	45.1 Å²	45.1	55%	0.552	22%	0.215	S	C	*	.			trans	-68.6	153.7	164.1	-65.7	-177.4	179.9	-179.2	0	109.3	Q325 D326 G327	K323-Q325 PolarHBondContact O-N 3.29Å; K323-Q325 VanDerWaalsContact O-N 3.12Å; K323-D326 PolarHBondContact O-N 3.02Å; K323-G327 PolarHBondContact O-N 3.02Å
324	I	95.5	Very high	96.7	Very high	10 Å²	10	45.1 Å²	45.1	5%	0.051	22%	0.215	C	C	.	.	H	α-helix	trans	-52.6	-37.2	177.6	-171.6	59.4	0	0	0	113.1	L328 T503 Q504 I506 L587 V622	I324-L328 HydrophobicContact CD1-CD1 4.08Å; I324-L328 HydrophobicContact CD1-CG 4.1Å; I324-L328 HydrophobicContact CG1-CD1 3.88Å; I324-L328 HydrophobicContact CG1-CG 4.34Å; I324-L328 WeakPolarHBondContact O-CB 3.27Å; I324-L328 VanDerWaalsContact O-CG 3.29Å; I324-L328 WeakPolarHBondContact O-CG 3.39Å; I324-L328 PolarHBondContact O-N 3.34Å; I324-T503 HydrophobicContact CB-CG2 4.37Å; I324-T503 HydrophobicContact CD1-CG2 3.79Å; I324-Q504 WeakPolarHBondContact CB-O 3.27Å; I324-I506 HydrophobicContact CG2-CD1 4.41Å; I324-I506 HydrophobicContact CG2-CG1 3.89Å; I324-L587 HydrophobicContact CD1-CD2 3.6Å; I324-L587 HydrophobicContact CD1-CG 4.06Å; I324-V622 HydrophobicContact CG1-CG2 4.21Å; I324-V622 HydrophobicContact CG2-CG1 3.87Å
325	Q	95.4	Very high	96.8	Very high	85 Å²	85	43.7 Å²	43.7	40%	0.397	21%	0.209	S	C	.	.	H	α-helix	trans	-62.8	-43.8	178	-64.1	174.7	-52.2	0	0	111.9	K323 R329 V622 L626	K323-Q325 PolarHBondContact O-N 3.29Å; K323-Q325 VanDerWaalsContact O-N 3.12Å; Q325-R329 WeakPolarHBondContact O-CB 3.44Å; Q325-R329 PolarHBondContact O-N 2.95Å; Q325-V622 HydrophobicContact CG-CG1 4.02Å; Q325-L626 VanDerWaalsContact CD-CD1 3.42Å; Q325-L626 HydrophobicContact CG-CD1 3.79Å
326	D	96.9	Very high	96.9	Very high	45 Å²	45	39.8 Å²	39.8	24%	0.241	19%	0.189	C	C	.	.	H	α-helix	trans	-73.2	-42	-179.2	-62.6	-39.9	0	0	0	111.1	L322 K323 L328 R329 L330 M370	L322-D326 HydrophobicContact CB-CB 4.43Å; K323-D326 PolarHBondContact O-N 3.02Å; D326-L328 PolarHBondContact O-N 3.41Å; D326-R329 PolarHBondContact O-N 3.35Å; D326-L330 WeakPolarHBondContact O-CG 3.46Å; D326-L330 PolarHBondContact O-N 3.5Å; D326-M370 HydrophobicContact CB-CE 3.82Å
327	G	97.3	Very high	96.9	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-58.8	-46.6	175.2	0	0	0	0	0	112.3	K323 L330 A331	K323-G327 PolarHBondContact O-N 3.02Å; G327-L330 PolarHBondContact O-N 2.95Å; G327-A331 WeakPolarHBondContact O-CB 3.42Å; G327-A331 PolarHBondContact O-N 2.83Å
328	L	97.8	Very high	97	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-67.2	-38.8	176.1	-72.1	171.7	0	0	0	112.4	I324 D326 L330 A331 S332 Y590 L615 I618 V622	I324-L328 HydrophobicContact CD1-CD1 4.08Å; I324-L328 HydrophobicContact CD1-CG 4.1Å; I324-L328 HydrophobicContact CG1-CD1 3.88Å; I324-L328 HydrophobicContact CG1-CG 4.34Å; I324-L328 WeakPolarHBondContact O-CB 3.27Å; I324-L328 VanDerWaalsContact O-CG 3.29Å; I324-L328 WeakPolarHBondContact O-CG 3.39Å; I324-L328 PolarHBondContact O-N 3.34Å; D326-L328 PolarHBondContact O-N 3.41Å; L328-L330 PolarHBondContact O-N 2.99Å; L328-A331 PolarHBondContact O-N 3.48Å; L328-S332 VanDerWaalsContact O-CB 3.27Å; L328-S332 WeakPolarHBondContact O-CB 3.25Å; L328-S332 PolarHBondContact O-N 2.97Å; L328-S332 PolarHBondContact O-OG 3.05Å; L328-S332 VanDerWaalsContact O-OG 3.12Å; L328-Y590 HydrophobicContact CD2-CD2 4.23Å; L328-Y590 HydrophobicContact CD2-CG 4.29Å; L328-L615 HydrophobicContact CD2-CD2 4.41Å; L328-I618 HydrophobicContact CD1-CG2 3.72Å; L328-I618 HydrophobicContact CD2-CB 4.41Å; L328-I618 HydrophobicContact CD2-CG2 3.94Å; L328-V622 HydrophobicContact CD1-CB 4.48Å; L328-V622 HydrophobicContact CD1-CG2 3.79Å
329	R	97.8	Very high	97	Very high	96 Å²	96	38 Å²	38	36%	0.362	18%	0.178	S	C	.	.	H	α-helix	trans	-61.8	-43.4	176.7	-178.2	176.8	-64.5	-89.4	-23.4	112	Q325 D326 S333 M370 T371 E619	Q325-R329 WeakPolarHBondContact O-CB 3.44Å; Q325-R329 PolarHBondContact O-N 2.95Å; D326-R329 PolarHBondContact O-N 3.35Å; R329-S333 WeakPolarHBondContact O-CB 3.4Å; R329-S333 PolarHBondContact O-N 3.28Å; R329-S333 PolarHBondContact O-OG 2.84Å; R329-M370 WeakPolarHBondContact CG-O 3.45Å; R329-T371 HydrophobicContact CG-CG2 3.88Å; R329-E619 IonicContact CZ-OE1 2.75Å; R329-E619 IonicContact NH2-OE1 3.46Å; R329-E619 PolarHBondContact NH2-OE1 3.19Å; R329-E619 VanDerWaalsContact NH2-OE1 3.12Å
330	L	98.6	Very high	97.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.6	-47.6	173.4	-70.1	169.8	0	0	0	111	L313 L322 D326 G327 L328 S332 S333 I334 V366 M370 A372 L499	L313-L330 HydrophobicContact CD1-CD1 4.08Å; L322-L330 HydrophobicContact CD1-CD1 3.68Å; D326-L330 WeakPolarHBondContact O-CG 3.46Å; D326-L330 PolarHBondContact O-N 3.5Å; G327-L330 PolarHBondContact O-N 2.95Å; L328-L330 PolarHBondContact O-N 2.99Å; L330-S332 PolarHBondContact O-N 3.49Å; L330-S333 WeakPolarHBondContact CA-OG 3.36Å; L330-S333 PolarHBondContact O-N 3.12Å; L330-S333 PolarHBondContact O-OG 3.4Å; L330-I334 WeakPolarHBondContact O-CD1 3.43Å; L330-I334 VanDerWaalsContact O-CG1 3.23Å; L330-I334 WeakPolarHBondContact O-CG1 3.15Å; L330-I334 PolarHBondContact O-N 2.97Å; L330-V366 HydrophobicContact CD2-CG1 4.05Å; L330-V366 HydrophobicContact CD2-CG2 4.13Å; L330-M370 HydrophobicContact CD1-CE 4.48Å; L330-M370 VanDerWaalsContact CD2-O 3.28Å; L330-M370 WeakPolarHBondContact CD2-O 3.36Å; L330-A372 HydrophobicContact CD2-CB 3.98Å; L330-L499 HydrophobicContact CB-CD1 4.25Å; L330-L499 HydrophobicContact CB-CD2 4.23Å; L330-L499 HydrophobicContact CD1-CD2 3.99Å
331	A	98.7	Very high	97.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.1	-46.1	178.3	0	0	0	0	0	112.5	G327 L328 S333 I334 A335 F496 L499 Y590 L615	G327-A331 WeakPolarHBondContact O-CB 3.42Å; G327-A331 PolarHBondContact O-N 2.83Å; L328-A331 PolarHBondContact O-N 3.48Å; A331-S333 VanDerWaalsContact C-N 3.33Å; A331-S333 PolarHBondContact O-N 3.5Å; A331-I334 PolarHBondContact O-N 3.45Å; A331-A335 PolarHBondContact O-N 2.78Å; A331-F496 HydrophobicContact CB-CD1 4.08Å; A331-F496 HydrophobicContact CB-CE1 3.78Å; A331-F496 HydrophobicContact CB-CE2 4.48Å; A331-F496 HydrophobicContact CB-CZ 3.99Å; A331-F496 WeakPolarHBondContact O-CZ 3.5Å; A331-L499 HydrophobicContact CB-CD1 4.17Å; A331-Y590 HydrophobicContact CB-CE2 3.92Å; A331-Y590 WeakPolarHBondContact CB-OH 3.49Å; A331-L615 HydrophobicContact CB-CD1 3.81Å; A331-L615 HydrophobicContact CB-CD2 4.5Å
332	S	98.3	Very high	97.2	Very high	15 Å²	15	21.6 Å²	21.6	11%	0.105	10%	0.101	C	C	.	.	H	α-helix	trans	-59.9	-41.7	178.4	-75.5	0	0	0	0	112.1	L328 L330 A335 A336 L615	L328-S332 VanDerWaalsContact O-CB 3.27Å; L328-S332 WeakPolarHBondContact O-CB 3.25Å; L328-S332 PolarHBondContact O-N 2.97Å; L328-S332 PolarHBondContact O-OG 3.05Å; L328-S332 VanDerWaalsContact O-OG 3.12Å; L330-S332 PolarHBondContact O-N 3.49Å; S332-A335 PolarHBondContact O-N 3.35Å; S332-A336 WeakPolarHBondContact O-CB 3.4Å; S332-A336 PolarHBondContact O-N 2.95Å; S332-L615 WeakPolarHBondContact OG-CB 3.48Å
333	S	98.5	Very high	97	Very high	6 Å²	6	24.2 Å²	24.2	4%	0.042	12%	0.117	C	C	.	.	H	α-helix	trans	-70.5	-39.9	178.6	44.2	0	0	0	0	112.7	N283 R329 L330 A331 A336 G337 A372	N283-S333 WeakPolarHBondContact CB-O 3.4Å; N283-S333 WeakPolarHBondContact ND2-CB 3.35Å; R329-S333 WeakPolarHBondContact O-CB 3.4Å; R329-S333 PolarHBondContact O-N 3.28Å; R329-S333 PolarHBondContact O-OG 2.84Å; L330-S333 WeakPolarHBondContact CA-OG 3.36Å; L330-S333 PolarHBondContact O-N 3.12Å; L330-S333 PolarHBondContact O-OG 3.4Å; A331-S333 VanDerWaalsContact C-N 3.33Å; A331-S333 PolarHBondContact O-N 3.5Å; S333-A336 WeakPolarHBondContact O-CB 3.48Å; S333-A336 PolarHBondContact O-N 2.97Å; S333-G337 PolarHBondContact O-N 3.12Å; S333-A372 PolarHBondContact OG-N 3.06Å
334	I	98.8	Very high	96.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-58.7	-50.6	171.2	-64.3	162.1	0	0	0	110.2	L313 L330 A331 A336 G337 L338 V364 A372 I374 M492 V495 F496 L499	L313-I334 HydrophobicContact CD2-CD1 3.89Å; L330-I334 WeakPolarHBondContact O-CD1 3.43Å; L330-I334 VanDerWaalsContact O-CG1 3.23Å; L330-I334 WeakPolarHBondContact O-CG1 3.15Å; L330-I334 PolarHBondContact O-N 2.97Å; A331-I334 PolarHBondContact O-N 3.45Å; I334-A336 PolarHBondContact O-N 2.76Å; I334-G337 PolarHBondContact O-N 3.29Å; I334-G337 VanDerWaalsContact O-N 3.16Å; I334-L338 PolarHBondContact O-N 3.49Å; I334-V364 HydrophobicContact CD1-CG1 3.89Å; I334-V364 HydrophobicContact CD1-CG2 4.48Å; I334-V364 HydrophobicContact CG1-CG1 3.74Å; I334-V364 HydrophobicContact CG1-CG2 4.39Å; I334-A372 HydrophobicContact CD1-CB 4.43Å; I334-A372 HydrophobicContact CG1-CB 3.75Å; I334-I374 HydrophobicContact CG2-CD1 4.45Å; I334-M492 HydrophobicContact CG2-CG 4.1Å; I334-M492 HydrophobicContact CG2-SD 4.27Å; I334-V495 HydrophobicContact CD1-CG1 4.11Å; I334-F496 HydrophobicContact CB-CE1 4.06Å; I334-F496 HydrophobicContact CD1-CE1 4.21Å; I334-F496 HydrophobicContact CG2-CE1 4.06Å; I334-L499 HydrophobicContact CD1-CD1 4.02Å
335	A	98.7	Very high	96	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.2	-34.3	178.4	0	0	0	0	0	112.3	A331 S332 A339 M492 F496 V611 R612 L615	A331-A335 PolarHBondContact O-N 2.78Å; S332-A335 PolarHBondContact O-N 3.35Å; A335-A339 WeakPolarHBondContact O-CB 3.19Å; A335-A339 PolarHBondContact O-N 3.37Å; A335-M492 HydrophobicContact CB-SD 4.13Å; A335-F496 HydrophobicContact CB-CZ 4.23Å; A335-V611 HydrophobicContact CB-CB 4.45Å; A335-V611 HydrophobicContact CB-CG1 3.99Å; A335-R612 HydrophobicContact CB-CB 3.91Å; A335-R612 HydrophobicContact CB-CG 4.48Å; A335-L615 HydrophobicContact CB-CD1 4.1Å
336	A	98.1	Very high	95.2	Very high	7 Å²	7	27.6 Å²	27.6	6%	0.058	13%	0.134	C	C	.	.	H	α-helix	trans	-66.1	-46	174.8	0	0	0	0	0	112.7	N283 S332 S333 I334 A339 F340 R612	N283-A336 HydrophobicContact CB-CB 4.5Å; S332-A336 WeakPolarHBondContact O-CB 3.4Å; S332-A336 PolarHBondContact O-N 2.95Å; S333-A336 WeakPolarHBondContact O-CB 3.48Å; S333-A336 PolarHBondContact O-N 2.97Å; I334-A336 PolarHBondContact O-N 2.76Å; A336-A339 PolarHBondContact O-N 2.76Å; A336-F340 PolarHBondContact O-N 3.36Å; A336-R612 HydrophobicContact CB-CG 4.24Å
337	G	97.3	Very high	93.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.8	-45.3	174.9	0	0	0	0	0	112	N283 S333 I334 F340 L341	N283-G337 WeakPolarHBondContact O-CA 3.43Å; S333-G337 PolarHBondContact O-N 3.12Å; I334-G337 PolarHBondContact O-N 3.29Å; I334-G337 VanDerWaalsContact O-N 3.16Å; G337-F340 WeakPolarHBondContact O-CB 3.39Å; G337-F340 PolarHBondContact O-N 3.43Å; G337-L341 PolarHBondContact O-N 3.48Å; G337-L341 VanDerWaalsContact O-N 3.11Å
338	L	98.5	Very high	92.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69.1	-40.3	179.8	-169.2	63.3	0	0	0	112	I334 F340 L341 H342 H356 L359 I374 D488 I489 M492 A608	I334-L338 PolarHBondContact O-N 3.49Å; L338-F340 PolarHBondContact O-N 2.77Å; L338-L341 HydrophobicContact CD1-CD1 4.46Å; L338-L341 PolarHBondContact O-N 3.18Å; L338-L341 VanDerWaalsContact O-N 3.16Å; L338-H342 WeakPolarHBondContact O-CB 3.43Å; L338-H342 PolarHBondContact O-N 2.79Å; L338-H356 HydrophobicContact CD1-CB 4.38Å; L338-L359 HydrophobicContact CD1-CD2 4.48Å; L338-L359 HydrophobicContact CD2-CD2 4.04Å; L338-I374 HydrophobicContact CB-CD1 3.83Å; L338-I374 HydrophobicContact CD1-CD1 4.46Å; L338-D488 HydrophobicContact CD1-CB 3.99Å; L338-D488 HydrophobicContact CD2-CB 4.12Å; L338-I489 HydrophobicContact CD2-CD1 3.97Å; L338-M492 HydrophobicContact CB-SD 4.39Å; L338-M492 HydrophobicContact CD2-CB 4.1Å; L338-M492 HydrophobicContact CD2-CE 3.93Å; L338-M492 HydrophobicContact CD2-CG 4.41Å; L338-M492 HydrophobicContact CD2-SD 3.64Å; L338-A608 HydrophobicContact CB-CB 4.12Å; L338-A608 HydrophobicContact CD2-CB 4.15Å; L338-A608 HydrophobicContact CG-CB 3.97Å
339	A	97.7	Very high	90.7	Very high	6 Å²	6	41.7 Å²	41.7	5%	0.05	22%	0.216	C	C	.	.	H	α-helix	trans	-59.5	-38.6	175.1	0	0	0	0	0	111.7	A335 A336 H342 T343 A608 L609	A335-A339 WeakPolarHBondContact O-CB 3.19Å; A335-A339 PolarHBondContact O-N 3.37Å; A336-A339 PolarHBondContact O-N 2.76Å; A339-H342 PolarHBondContact O-N 3.03Å; A339-T343 VanDerWaalsContact O-CB 3.3Å; A339-T343 WeakPolarHBondContact O-CB 3.45Å; A339-T343 PolarHBondContact O-N 3.44Å; A339-T343 PolarHBondContact O-OG1 3.4Å; A339-A608 HydrophobicContact CB-CB 3.93Å; A339-L609 HydrophobicContact CB-CB 4.31Å
340	F	94.8	Very high	89.5	Confident	25 Å²	25	38.2 Å²	38.2	11%	0.11	21%	0.208	C	C	.	.	H	α-helix	trans	-65	-44.3	175.3	179.8	-96.7	0	0	0	112.1	L278 L279 H281 L284 A336 G337 L338 T343 I345 K351	L278-F340 WeakPolarHBondContact O-CZ 3.5Å; L279-F340 HydrophobicContact CD2-CE1 4.19Å; H281-F340 HydrophobicContact CB-CB 4.41Å; H281-F340 HydrophobicContact CB-CD1 3.66Å; H281-F340 HydrophobicContact CB-CD2 4.15Å; H281-F340 HydrophobicContact CB-CE1 3.8Å; H281-F340 HydrophobicContact CB-CE2 4.28Å; H281-F340 HydrophobicContact CB-CG 3.8Å; H281-F340 HydrophobicContact CB-CZ 4.09Å; H281-F340 AromaticContact CD2-CD2 3.63Å; H281-F340 AromaticContact CD2-CG 3.7Å; H281-F340 AromaticContact CG-CG 3.76Å; L284-F340 HydrophobicContact CD1-CD1 3.46Å; L284-F340 VanDerWaalsContact CD1-CD1 3.46Å; L284-F340 HydrophobicContact CD1-CE1 3.74Å; L284-F340 HydrophobicContact CG-CD1 4.28Å; A336-F340 PolarHBondContact O-N 3.36Å; G337-F340 WeakPolarHBondContact O-CB 3.39Å; G337-F340 PolarHBondContact O-N 3.43Å; L338-F340 PolarHBondContact O-N 2.77Å; F340-T343 PolarHBondContact O-N 2.82Å; F340-I345 HydrophobicContact CD2-CD1 4.36Å; F340-I345 HydrophobicContact CE2-CD1 3.7Å; F340-I345 HydrophobicContact CZ-CD1 4.34Å; F340-K351 HydrophobicContact CE1-CD 4.07Å; F340-K351 HydrophobicContact CE2-CD 4.5Å; F340-K351 HydrophobicContact CZ-CD 4.03Å; F340-K351 WeakPolarHBondContact O-CE 3.47Å; F340-K351 PolarHBondContact O-NZ 2.96Å
341	L	94.6	Very high	88.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.9	-46.7	174.2	-70	173.3	0	0	0	111.7	L284 G337 L338 T343 K351 I354 H356 L377	L284-L341 HydrophobicContact CD1-CD2 3.77Å; L284-L341 HydrophobicContact CD1-CG 4.14Å; L284-L341 HydrophobicContact CD2-CD1 3.9Å; L284-L341 HydrophobicContact CD2-CD2 4.24Å; L284-L341 HydrophobicContact CD2-CG 3.91Å; G337-L341 PolarHBondContact O-N 3.48Å; G337-L341 VanDerWaalsContact O-N 3.11Å; L338-L341 HydrophobicContact CD1-CD1 4.46Å; L338-L341 PolarHBondContact O-N 3.18Å; L338-L341 VanDerWaalsContact O-N 3.16Å; L341-T343 VanDerWaalsContact C-N 3.31Å; L341-T343 PolarHBondContact O-N 3.42Å; L341-K351 PolarHBondContact O-NZ 3.41Å; L341-I354 CarbonylContact C-O 3.5Å; L341-I354 VanDerWaalsContact C-O 3.29Å; L341-I354 HydrophobicContact CB-CB 4.4Å; L341-I354 HydrophobicContact CD2-CB 4.25Å; L341-I354 HydrophobicContact CD2-CD1 4.46Å; L341-I354 HydrophobicContact CD2-CG2 4.27Å; L341-I354 PolarHBondContact O-N 3.39Å; L341-H356 HydrophobicContact CD1-CB 4.45Å; L341-L377 HydrophobicContact CD1-CD2 4.16Å; L341-L377 HydrophobicContact CD2-CD2 4.37Å
342	H	95.6	Very high	88.3	Confident	22 Å²	22	39.3 Å²	39.3	10%	0.102	22%	0.215	C	C	.	.	H	α-helix	trans	-73.6	-15.3	-176.7	-75.3	-169.2	0	0	0	115.3	L338 A339 S353 I354 Q485 D488	L338-H342 WeakPolarHBondContact O-CB 3.43Å; L338-H342 PolarHBondContact O-N 2.79Å; A339-H342 PolarHBondContact O-N 3.03Å; H342-S353 VanDerWaalsContact C-OG 3.29Å; H342-S353 PolarHBondContact O-OG 2.86Å; H342-I354 PolarHBondContact CD2-O 3.26Å; H342-I354 VanDerWaalsContact CD2-O 3.3Å; H342-Q485 VanDerWaalsContact CA-NE2 3.32Å; H342-Q485 VanDerWaalsContact CB-NE2 3.25Å; H342-Q485 PolarHBondContact CE1-O 3.08Å; H342-Q485 PolarHBondContact O-NE2 3.02Å; H342-D488 IonicContact CD2-OD2 2.74Å; H342-D488 IonicContact CE1-OD2 2.69Å; H342-D488 IonicContact NE2-OD2 3.31Å; H342-D488 PolarHBondContact NE2-OD2 2.97Å
343	T	92.2	Very high	87.9	Confident	62 Å²	62	39.1 Å²	39.1	38%	0.38	21%	0.214	S	C	.	.	S	Bend	trans	-93.7	129	-178.3	-57.1	0	0	0	0	110.3	A339 F340 L341 K351	A339-T343 VanDerWaalsContact O-CB 3.3Å; A339-T343 WeakPolarHBondContact O-CB 3.45Å; A339-T343 PolarHBondContact O-N 3.44Å; A339-T343 PolarHBondContact O-OG1 3.4Å; F340-T343 PolarHBondContact O-N 2.82Å; L341-T343 VanDerWaalsContact C-N 3.31Å; L341-T343 PolarHBondContact O-N 3.42Å; T343-K351 PolarHBondContact O-NZ 3.4Å
344	E	88.5	Confident	87.6	Confident	72 Å²	72	38.9 Å²	38.9	34%	0.336	21%	0.212	S	C	.	.			trans	-74.5	128.9	166.2	-174.3	-167.2	-171.1	0	0	109.6	K346 K351	E344-K346 HydrophobicContact CG-CG 4.28Å; E344-K346 WeakPolarHBondContact OE2-CE 3.42Å; E344-K346 IonicContact OE2-NZ 2.63Å; E344-K351 CarbonylContact C-O 3.53Å; E344-K351 WeakPolarHBondContact CA-O 3.49Å
345	I	81.4	Confident	87.4	Confident	60 Å²	60	38.9 Å²	38.9	31%	0.308	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-107.1	110.6	172.2	-54.5	175.1	0	0	0	107.3	F340 A350 K351	F340-I345 HydrophobicContact CD2-CD1 4.36Å; F340-I345 HydrophobicContact CE2-CD1 3.7Å; F340-I345 HydrophobicContact CZ-CD1 4.34Å; I345-A350 CarbonylContact O-C 3.56Å; I345-A350 VanDerWaalsContact O-CA 3.27Å; I345-A350 WeakPolarHBondContact O-CA 3.28Å; I345-K351 HydrophobicContact CB-CB 3.96Å; I345-K351 HydrophobicContact CD1-CB 4.3Å; I345-K351 HydrophobicContact CD1-CD 4.04Å; I345-K351 HydrophobicContact CG1-CB 4.25Å; I345-K351 HydrophobicContact CG1-CD 4.34Å; I345-K351 PolarHBondContact N-O 3.11Å; I345-K351 PolarHBondContact O-N 3.26Å
346	K	79.2	Confident	87.2	Confident	161 Å²	161	38.9 Å²	38.9	70%	0.7	21%	0.212	S	C	*	.			trans	-83.2	140	178.9	-59.2	-176.2	179.3	-174.1	0	110.2	E344	E344-K346 HydrophobicContact CG-CG 4.28Å; E344-K346 WeakPolarHBondContact OE2-CE 3.42Å; E344-K346 IonicContact OE2-NZ 2.63Å
347	G	70.3	Confident	87	Confident	52 Å²	52	39.7 Å²	39.7	54%	0.536	21%	0.214	S	C	.	.	S	Bend	trans	156.2	-172.5	177.9	0	0	0	0	0	113.2	H349 A350	G347-H349 VanDerWaalsContact C-N 3.26Å; G347-H349 PolarHBondContact O-N 3.35Å; G347-A350 PolarHBondContact O-N 3.14Å
348	L	63.4	Low	86.9	Confident	165 Å²	165	40 Å²	40	86%	0.864	22%	0.215	S	C	*	.	S	Bend	trans	-60.2	-38.1	177.4	-173.5	69.4	0	0	0	112
349	H	64.8	Low	86.8	Confident	126 Å²	126	40.1 Å²	40.1	58%	0.583	22%	0.216	S	C	*	.	S	Bend	trans	-104.5	83.3	167	-56.1	-68	0	0	0	107	L278 G347	L278-H349 HydrophobicContact CD1-CB 3.8Å; L278-H349 WeakPolarHBondContact CD1-O 3.3Å; L278-H349 HydrophobicContact CD2-CB 4.12Å; L278-H349 HydrophobicContact CG-CB 3.77Å; G347-H349 VanDerWaalsContact C-N 3.26Å; G347-H349 PolarHBondContact O-N 3.35Å
350	A	72.7	Confident	86.8	Confident	23 Å²	23	41.4 Å²	41.4	19%	0.19	22%	0.22	C	C	.	.			trans	-75.4	135.6	-179.8	0	0	0	0	0	110.4	I345 G347 P388	I345-A350 CarbonylContact O-C 3.56Å; I345-A350 VanDerWaalsContact O-CA 3.27Å; I345-A350 WeakPolarHBondContact O-CA 3.28Å; G347-A350 PolarHBondContact O-N 3.14Å; A350-P388 HydrophobicContact CB-CB 4.03Å; A350-P388 HydrophobicContact CB-CG 4.44Å
351	K	84.6	Confident	86.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-105	112.4	166.6	-177	-151.4	158.4	-78.1	0	108.2	L279 F340 L341 T343 E344 I345	L279-K351 HydrophobicContact CD2-CD 3.86Å; L279-K351 HydrophobicContact CD2-CG 3.87Å; F340-K351 HydrophobicContact CE1-CD 4.07Å; F340-K351 HydrophobicContact CE2-CD 4.5Å; F340-K351 HydrophobicContact CZ-CD 4.03Å; F340-K351 WeakPolarHBondContact O-CE 3.47Å; F340-K351 PolarHBondContact O-NZ 2.96Å; L341-K351 PolarHBondContact O-NZ 3.41Å; T343-K351 PolarHBondContact O-NZ 3.4Å; E344-K351 CarbonylContact C-O 3.53Å; E344-K351 WeakPolarHBondContact CA-O 3.49Å; I345-K351 HydrophobicContact CB-CB 3.96Å; I345-K351 HydrophobicContact CD1-CB 4.3Å; I345-K351 HydrophobicContact CD1-CD 4.04Å; I345-K351 HydrophobicContact CG1-CB 4.25Å; I345-K351 HydrophobicContact CG1-CD 4.34Å; I345-K351 PolarHBondContact N-O 3.11Å; I345-K351 PolarHBondContact O-N 3.26Å
352	P	86.4	Confident	87	Confident	24 Å²	24	45.9 Å²	45.9	16%	0.156	24%	0.24	C	C	.	.			trans	-64.1	161.6	172.4	27.8	-34.7	0	0	0	111.1	V382 N383	P352-V382 HydrophobicContact CB-CG1 3.65Å; P352-V382 HydrophobicContact CG-CG1 3.28Å; P352-N383 WeakPolarHBondContact CB-O 3.38Å
353	S	90.6	Very high	87	Confident	11 Å²	11	45.6 Å²	45.6	8%	0.077	24%	0.239	C	C	.	.			trans	-68.3	143.2	171.3	-170.6	0	0	0	0	110.7	H342 N383 F481 Q485	H342-S353 VanDerWaalsContact C-OG 3.29Å; H342-S353 PolarHBondContact O-OG 2.86Å; S353-N383 PolarHBondContact O-N 3.29Å; S353-F481 WeakPolarHBondContact O-CZ 3.29Å; S353-F481 VanDerWaalsContact OG-CE1 3.31Å; S353-F481 WeakPolarHBondContact OG-CE1 3.39Å; S353-Q485 PolarHBondContact OG-NE2 3.32Å; S353-Q485 VanDerWaalsContact OG-NE2 3.08Å
354	I	91.6	Very high	87.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	126.4	-176.3	-56.4	-178.1	0	0	0	109.2	I273 L279 L341 H342 A380 L381 V382	I273-I354 HydrophobicContact CG2-CD1 4.11Å; L279-I354 HydrophobicContact CD1-CD1 3.8Å; L279-I354 HydrophobicContact CD2-CD1 3.64Å; L279-I354 HydrophobicContact CG-CD1 4.3Å; L341-I354 CarbonylContact C-O 3.5Å; L341-I354 VanDerWaalsContact C-O 3.29Å; L341-I354 HydrophobicContact CB-CB 4.4Å; L341-I354 HydrophobicContact CD2-CB 4.25Å; L341-I354 HydrophobicContact CD2-CD1 4.46Å; L341-I354 HydrophobicContact CD2-CG2 4.27Å; L341-I354 PolarHBondContact O-N 3.39Å; H342-I354 PolarHBondContact CD2-O 3.26Å; H342-I354 VanDerWaalsContact CD2-O 3.3Å; I354-A380 HydrophobicContact CG2-CB 3.91Å; I354-L381 CarbonylContact C-O 3.56Å; I354-L381 VanDerWaalsContact CA-O 3.26Å; I354-L381 WeakPolarHBondContact CA-O 3.31Å; I354-V382 HydrophobicContact CD1-CG2 4.46Å; I354-V382 HydrophobicContact CG1-CG2 4.26Å
355	A	93.5	Very high	87.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132.7	169.1	0	0	0	0	0	109.1	R357 A380 L381 F481 Q485 D488	A355-R357 HydrophobicContact CB-CG 4.28Å; A355-A380 CarbonylContact O-C 3.57Å; A355-A380 WeakPolarHBondContact O-CA 3.32Å; A355-A380 VanDerWaalsContact O-CB 3.3Å; A355-A380 WeakPolarHBondContact O-CB 3.24Å; A355-L381 PolarHBondContact N-O 3Å; A355-L381 PolarHBondContact O-N 2.91Å; A355-F481 HydrophobicContact CB-CE2 4.17Å; A355-F481 HydrophobicContact CB-CZ 3.96Å; A355-Q485 HydrophobicContact CB-CG 4.36Å; A355-D488 WeakPolarHBondContact CA-OD2 3.36Å
356	H	95	Very high	88.6	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.			trans	-74.3	-44.1	-173.1	-172.2	-79.3	0	0	0	112.8	L338 L341 D358 L359 I374 A375 D376 A380 D488	L338-H356 HydrophobicContact CD1-CB 4.38Å; L341-H356 HydrophobicContact CD1-CB 4.45Å; H356-D358 VanDerWaalsContact CE1-C 3.49Å; H356-D358 PolarHBondContact CE1-O 3.33Å; H356-D358 PolarHBondContact ND1-N 3Å; H356-D358 PolarHBondContact O-N 3.21Å; H356-L359 PolarHBondContact ND1-N 3.11Å; H356-L359 VanDerWaalsContact ND1-N 3.12Å; H356-I374 WeakPolarHBondContact CD2-CG2 3.44Å; H356-I374 VanDerWaalsContact NE2-CG2 3.32Å; H356-I374 WeakPolarHBondContact NE2-CG2 3.37Å; H356-A375 PolarHBondContact NE2-O 3.09Å; H356-D376 PolarHBondContact CE1-O 3.22Å; H356-D376 PolarHBondContact NE2-O 3.27Å; H356-A380 WeakPolarHBondContact O-CA 3.3Å; H356-D488 PolarHBondContact N-OD1 2.93Å; H356-D488 PolarHBondContact N-OD2 3.48Å
357	R	93.9	Very high	89.4	Confident	25 Å²	25	31.5 Å²	31.5	9%	0.094	17%	0.171	C	C	.	.	S	Bend	trans	66.2	-11.2	176.3	-56.7	179.6	60.8	-172.5	12.2	117.7	A355 L379 A431 G432 V435 Y484 D488	A355-R357 HydrophobicContact CB-CG 4.28Å; R357-L379 WeakPolarHBondContact CD-O 3.38Å; R357-A431 PolarHBondContact NH1-O 3.28Å; R357-A431 PolarHBondContact NH2-O 2.86Å; R357-G432 PolarHBondContact NH2-O 2.83Å; R357-V435 VanDerWaalsContact CZ-CG2 3.4Å; R357-Y484 HydrophobicContact CG-CD1 4.28Å; R357-D488 WeakPolarHBondContact CA-OD1 3.44Å; R357-D488 PolarHBondContact N-OD1 3.43Å
358	D	95.1	Very high	90.5	Very high	7 Å²	7	35.2 Å²	35.2	4%	0.037	18%	0.179	C	C	.	.			trans	-135.6	43.6	172.4	-162.6	33.2	0	0	0	113.2	H356 K360 N363 L379 G436 T437	H356-D358 VanDerWaalsContact CE1-C 3.49Å; H356-D358 PolarHBondContact CE1-O 3.33Å; H356-D358 PolarHBondContact ND1-N 3Å; H356-D358 PolarHBondContact O-N 3.21Å; D358-K360 PolarHBondContact O-N 3.2Å; D358-K360 IonicContact OD1-NZ 2.89Å; D358-K360 PolarHBondContact OD1-NZ 3.15Å; D358-K360 WeakPolarHBondContact OD2-CE 3.42Å; D358-K360 IonicContact OD2-NZ 3.52Å; D358-K360 PolarHBondContact OD2-NZ 3.32Å; D358-N363 PolarHBondContact O-ND2 3.3Å; D358-N363 PolarHBondContact OD2-ND2 3.16Å; D358-L379 HydrophobicContact CB-CB 4.28Å; D358-L379 HydrophobicContact CB-CD1 3.75Å; D358-G436 WeakPolarHBondContact OD1-CA 3.48Å; D358-T437 VanDerWaalsContact OD1-CB 3.27Å; D358-T437 WeakPolarHBondContact OD1-CB 3.33Å; D358-T437 PolarHBondContact OD1-N 2.7Å; D358-T437 PolarHBondContact OD1-OG1 3.35Å
359	L	97.7	Very high	91.9	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.161	C	C	.	.			trans	-73.6	127.3	178.5	-169.8	68	0	0	0	109.9	L338 H356 V364 I374 A491 M492	L338-L359 HydrophobicContact CD1-CD2 4.48Å; L338-L359 HydrophobicContact CD2-CD2 4.04Å; H356-L359 PolarHBondContact ND1-N 3.11Å; H356-L359 VanDerWaalsContact ND1-N 3.12Å; L359-V364 HydrophobicContact CD1-CG2 4.19Å; L359-I374 HydrophobicContact CD1-CD1 4.1Å; L359-I374 HydrophobicContact CD1-CG1 4.25Å; L359-I374 HydrophobicContact CD1-CG2 3.89Å; L359-A491 HydrophobicContact CB-CB 4.05Å; L359-A491 WeakPolarHBondContact O-CB 3.4Å; L359-M492 HydrophobicContact CD2-CB 3.62Å; L359-M492 HydrophobicContact CD2-CG 4.29Å
360	K	97	Very high	93.3	Very high	33 Å²	33	27.7 Å²	27.7	14%	0.143	14%	0.143	C	C	.	.			trans	-162.8	162.8	179.9	59	-168.1	167.2	-162.9	0	109.3	D358 K362 N363 V364 T437 Y440	D358-K360 PolarHBondContact O-N 3.2Å; D358-K360 IonicContact OD1-NZ 2.89Å; D358-K360 PolarHBondContact OD1-NZ 3.15Å; D358-K360 WeakPolarHBondContact OD2-CE 3.42Å; D358-K360 IonicContact OD2-NZ 3.52Å; D358-K360 PolarHBondContact OD2-NZ 3.32Å; K360-K362 HydrophobicContact CD-CB 4.48Å; K360-K362 HydrophobicContact CG-CB 4.28Å; K360-K362 PolarHBondContact O-N 2.7Å; K360-K362 VanDerWaalsContact O-N 3.1Å; K360-N363 WeakPolarHBondContact CE-ND2 3.4Å; K360-N363 WeakPolarHBondContact CE-OD1 3.31Å; K360-N363 HydrophobicContact CG-CB 4Å; K360-N363 PolarHBondContact O-N 3.11Å; K360-V364 PolarHBondContact O-N 3.44Å; K360-T437 HydrophobicContact CD-CG2 4.13Å; K360-T437 VanDerWaalsContact CD-OG1 3.22Å; K360-T437 WeakPolarHBondContact CD-OG1 3.45Å; K360-T437 WeakPolarHBondContact CE-OG1 3.34Å; K360-T437 PolarHBondContact NZ-OG1 3.05Å; K360-Y440 HydrophobicContact CB-CD1 4.05Å; K360-Y440 HydrophobicContact CB-CD2 3.85Å; K360-Y440 HydrophobicContact CB-CE1 3.97Å; K360-Y440 HydrophobicContact CB-CE2 3.75Å; K360-Y440 HydrophobicContact CB-CG 4.01Å
361	S	97.5	Very high	94.5	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-59.6	-25.3	-178.5	54	0	0	0	0	113.7	L313 H314 Y440 E498	L313-S361 WeakPolarHBondContact CB-O 3.39Å; L313-S361 PolarHBondContact N-O 3.39Å; H314-S361 PolarHBondContact N-O 2.72Å; S361-Y440 PolarHBondContact OG-OH 3.47Å; S361-E498 WeakPolarHBondContact CB-OE1 3.37Å; S361-E498 PolarHBondContact OG-OE1 3.41Å; S361-E498 PolarHBondContact OG-OE2 2.92Å
362	K	95.8	Very high	95.2	Very high	119 Å²	119	27.5 Å²	27.5	52%	0.517	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-73.2	-24	172.6	-69.1	-172.3	177.1	-174.4	0	114.6	H314 K360	H314-K362 HydrophobicContact CB-CG 3.63Å; H314-K362 VanDerWaalsContact CD2-CE 3.44Å; H314-K362 WeakPolarHBondContact CD2-CE 3.47Å; H314-K362 VanDerWaalsContact NE2-CE 3.34Å; H314-K362 WeakPolarHBondContact NE2-CE 3.22Å; K360-K362 HydrophobicContact CD-CB 4.48Å; K360-K362 HydrophobicContact CG-CB 4.28Å; K360-K362 PolarHBondContact O-N 2.7Å; K360-K362 VanDerWaalsContact O-N 3.1Å
363	N	96	Very high	95.7	Very high	15 Å²	15	26.4 Å²	26.4	8%	0.08	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-99.5	11.1	179.4	-72.2	10.7	0	0	0	112	D358 K360 A375 D376	D358-N363 PolarHBondContact O-ND2 3.3Å; D358-N363 PolarHBondContact OD2-ND2 3.16Å; K360-N363 WeakPolarHBondContact CE-ND2 3.4Å; K360-N363 WeakPolarHBondContact CE-OD1 3.31Å; K360-N363 HydrophobicContact CG-CB 4Å; K360-N363 PolarHBondContact O-N 3.11Å; N363-A375 PolarHBondContact O-N 2.95Å; N363-D376 HydrophobicContact CB-CB 4.29Å; N363-D376 WeakPolarHBondContact ND2-CB 3.46Å; N363-D376 PolarHBondContact ND2-OD2 3.37Å
364	V	98.4	Very high	96.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132	170.1	176.2	0	0	0	0	107.3	S312 L313 I334 L359 K360 A372 C373	S312-V364 CarbonylContact C-O 3.54Å; S312-V364 VanDerWaalsContact CA-O 3.29Å; S312-V364 WeakPolarHBondContact CA-O 3.27Å; L313-V364 HydrophobicContact CB-CB 3.95Å; L313-V364 HydrophobicContact CB-CG1 3.94Å; L313-V364 HydrophobicContact CD2-CB 4.32Å; L313-V364 HydrophobicContact CD2-CG1 4.07Å; L313-V364 PolarHBondContact N-O 3.33Å; I334-V364 HydrophobicContact CD1-CG1 3.89Å; I334-V364 HydrophobicContact CD1-CG2 4.48Å; I334-V364 HydrophobicContact CG1-CG1 3.74Å; I334-V364 HydrophobicContact CG1-CG2 4.39Å; L359-V364 HydrophobicContact CD1-CG2 4.19Å; K360-V364 PolarHBondContact O-N 3.44Å; V364-A372 HydrophobicContact CG1-CB 3.75Å; V364-C373 WeakPolarHBondContact CA-O 3.27Å
365	L	98.2	Very high	96.2	Very high	33 Å²	33	26.3 Å²	26.3	17%	0.173	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	141.4	177.2	-56.5	179.3	0	0	0	110.6	L285 H308 G311 A372 C373 A375	L285-L365 HydrophobicContact CD1-CD1 3.9Å; L285-L365 HydrophobicContact CD2-CD1 4.07Å; H308-L365 HydrophobicContact CB-CB 4.43Å; G311-L365 WeakPolarHBondContact O-CA 3.21Å; L365-A372 CarbonylContact O-C 3.57Å; L365-A372 VanDerWaalsContact O-CA 3.23Å; L365-A372 WeakPolarHBondContact O-CA 3.45Å; L365-C373 PolarHBondContact N-O 3.5Å; L365-C373 PolarHBondContact O-N 3.34Å; L365-A375 HydrophobicContact CD1-CB 4.22Å; L365-A375 HydrophobicContact CG-CB 4.23Å
366	V	98.3	Very high	96	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	127.8	176.6	-179.5	0	0	0	0	109.3	N310 G311 L313 F316 L330	N310-V366 HydrophobicContact CB-CB 3.76Å; N310-V366 HydrophobicContact CB-CG1 3.86Å; N310-V366 WeakPolarHBondContact CB-O 3.35Å; G311-V366 PolarHBondContact O-N 3.44Å; L313-V366 HydrophobicContact CB-CG2 4.2Å; L313-V366 HydrophobicContact CD1-CG2 3.78Å; F316-V366 HydrophobicContact CB-CG2 3.89Å; F316-V366 HydrophobicContact CD1-CG1 4.26Å; F316-V366 HydrophobicContact CD1-CG2 3.95Å; F316-V366 HydrophobicContact CD2-CB 4.33Å; F316-V366 HydrophobicContact CD2-CG1 4.22Å; F316-V366 HydrophobicContact CD2-CG2 4.44Å; F316-V366 HydrophobicContact CE1-CG1 4.17Å; F316-V366 HydrophobicContact CE2-CG1 4.13Å; F316-V366 HydrophobicContact CG-CB 4.22Å; F316-V366 HydrophobicContact CG-CG1 4.28Å; F316-V366 HydrophobicContact CG-CG2 3.84Å; F316-V366 HydrophobicContact CZ-CG1 4.11Å; L330-V366 HydrophobicContact CD2-CG1 4.05Å; L330-V366 HydrophobicContact CD2-CG2 4.13Å
367	M	96.1	Very high	95.6	Very high	26 Å²	26	27.5 Å²	27.5	13%	0.128	14%	0.138	C	C	.	.			trans	-87.9	169.5	177	-63.1	-167.7	-88.6	0	0	111.1	P282 N310 D369 M370 T371 A372 C373	P282-M367 WeakPolarHBondContact O-CE 3.01Å; N310-M367 PolarHBondContact ND2-O 3.26Å; M367-D369 WeakPolarHBondContact CB-OD1 3.43Å; M367-D369 PolarHBondContact O-N 2.85Å; M367-M370 PolarHBondContact O-N 3.13Å; M367-T371 WeakPolarHBondContact CB-O 3.4Å; M367-T371 WeakPolarHBondContact CE-OG1 3.23Å; M367-T371 PolarHBondContact N-O 3.25Å; M367-A372 VanDerWaalsContact CE-O 3.29Å; M367-A372 WeakPolarHBondContact CE-O 3.36Å; M367-C373 HydrophobicContact CE-CB 4.12Å; M367-C373 HydrophobicContact SD-CB 4.4Å
368	N	93.6	Very high	95.1	Very high	130 Å²	130	26.3 Å²	26.3	70%	0.695	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-23.3	-176.3	-67.4	-11.9	0	0	0	113.2	M370	N368-M370 VanDerWaalsContact C-N 3.29Å; N368-M370 PolarHBondContact O-N 3.17Å
369	D	92.6	Very high	94.6	Very high	94 Å²	94	27 Å²	27	50%	0.503	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	16.8	179.9	71.1	-18.9	0	0	0	113.2	M367 T371	M367-D369 WeakPolarHBondContact CB-OD1 3.43Å; M367-D369 PolarHBondContact O-N 2.85Å; D369-T371 VanDerWaalsContact CG-OG1 3.29Å; D369-T371 PolarHBondContact O-N 3.41Å; D369-T371 WeakPolarHBondContact OD1-CB 3.41Å; D369-T371 PolarHBondContact OD1-N 3.33Å; D369-T371 VanDerWaalsContact OD1-N 3.1Å; D369-T371 PolarHBondContact OD1-OG1 3.44Å; D369-T371 PolarHBondContact OD2-OG1 3.17Å
370	M	95.5	Very high	94.2	Very high	40 Å²	40	27.1 Å²	27.1	20%	0.197	14%	0.139	C	C	.	.	S	Bend	trans	61	19	-176.4	-63.4	-63.3	-64.9	0	0	114.4	F316 L322 D326 R329 L330 M367 N368	F316-M370 HydrophobicContact CE1-CE 3.77Å; F316-M370 HydrophobicContact CE1-SD 4.27Å; F316-M370 HydrophobicContact CZ-CE 3.8Å; F316-M370 HydrophobicContact CZ-SD 3.73Å; L322-M370 HydrophobicContact CD2-CE 4.16Å; D326-M370 HydrophobicContact CB-CE 3.82Å; R329-M370 WeakPolarHBondContact CG-O 3.45Å; L330-M370 HydrophobicContact CD1-CE 4.48Å; L330-M370 VanDerWaalsContact CD2-O 3.28Å; L330-M370 WeakPolarHBondContact CD2-O 3.36Å; M367-M370 PolarHBondContact O-N 3.13Å; N368-M370 VanDerWaalsContact C-N 3.29Å; N368-M370 PolarHBondContact O-N 3.17Å
371	T	97.8	Very high	93.8	Very high	19 Å²	19	26.3 Å²	26.3	12%	0.117	14%	0.136	C	C	.	.			trans	-92.9	169.8	163.2	69	0	0	0	0	110.4	R329 M367 D369	R329-T371 HydrophobicContact CG-CG2 3.88Å; M367-T371 WeakPolarHBondContact CB-O 3.4Å; M367-T371 WeakPolarHBondContact CE-OG1 3.23Å; M367-T371 PolarHBondContact N-O 3.25Å; D369-T371 VanDerWaalsContact CG-OG1 3.29Å; D369-T371 PolarHBondContact O-N 3.41Å; D369-T371 WeakPolarHBondContact OD1-CB 3.41Å; D369-T371 PolarHBondContact OD1-N 3.33Å; D369-T371 VanDerWaalsContact OD1-N 3.1Å; D369-T371 PolarHBondContact OD1-OG1 3.44Å; D369-T371 PolarHBondContact OD2-OG1 3.17Å
372	A	98.2	Very high	93.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	156.8	-179.3	0	0	0	0	0	111.9	N283 L330 S333 I334 V364 L365 M367	N283-A372 WeakPolarHBondContact CA-O 3.43Å; N283-A372 WeakPolarHBondContact CB-O 3.49Å; N283-A372 PolarHBondContact ND2-O 3.12Å; L330-A372 HydrophobicContact CD2-CB 3.98Å; S333-A372 PolarHBondContact OG-N 3.06Å; I334-A372 HydrophobicContact CD1-CB 4.43Å; I334-A372 HydrophobicContact CG1-CB 3.75Å; V364-A372 HydrophobicContact CG1-CB 3.75Å; L365-A372 CarbonylContact O-C 3.57Å; L365-A372 VanDerWaalsContact O-CA 3.23Å; L365-A372 WeakPolarHBondContact O-CA 3.45Å; M367-A372 VanDerWaalsContact CE-O 3.29Å; M367-A372 WeakPolarHBondContact CE-O 3.36Å
373	C	97.8	Very high	92.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146.4	167.1	65.9	0	0	0	0	111.4	N283 V364 L365 M367	N283-C373 VanDerWaalsContact O-CA 3.3Å; N283-C373 WeakPolarHBondContact O-CA 3.32Å; V364-C373 WeakPolarHBondContact CA-O 3.27Å; L365-C373 PolarHBondContact N-O 3.5Å; L365-C373 PolarHBondContact O-N 3.34Å; M367-C373 HydrophobicContact CE-CB 4.12Å; M367-C373 HydrophobicContact SD-CB 4.4Å
374	I	98.2	Very high	91.7	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	136.1	176.2	-57.9	176.3	0	0	0	109.2	N283 L284 L285 I334 L338 H356 L359	N283-I374 PolarHBondContact O-N 3.36Å; L284-I374 HydrophobicContact CD2-CB 3.88Å; L285-I374 PolarHBondContact N-O 3.27Å; I334-I374 HydrophobicContact CG2-CD1 4.45Å; L338-I374 HydrophobicContact CB-CD1 3.83Å; L338-I374 HydrophobicContact CD1-CD1 4.46Å; H356-I374 WeakPolarHBondContact CD2-CG2 3.44Å; H356-I374 VanDerWaalsContact NE2-CG2 3.32Å; H356-I374 WeakPolarHBondContact NE2-CG2 3.37Å; L359-I374 HydrophobicContact CD1-CD1 4.1Å; L359-I374 HydrophobicContact CD1-CG1 4.25Å; L359-I374 HydrophobicContact CD1-CG2 3.89Å
375	A	94.1	Very high	89.8	Confident	9 Å²	9	35.3 Å²	35.3	7%	0.074	19%	0.186	C	C	.	.			trans	-127.6	172.6	-178.7	0	0	0	0	0	111.2	L285 H356 N363 L365	L285-A375 HydrophobicContact CB-CB 3.93Å; L285-A375 HydrophobicContact CD2-CB 3.58Å; L285-A375 HydrophobicContact CG-CB 4.38Å; H356-A375 PolarHBondContact NE2-O 3.09Å; N363-A375 PolarHBondContact O-N 2.95Å; L365-A375 HydrophobicContact CD1-CB 4.22Å; L365-A375 HydrophobicContact CG-CB 4.23Å
376	D	89.1	Confident	87.2	Confident	22 Å²	22	39.1 Å²	39.1	12%	0.118	21%	0.206	C	C	.	.			trans	66.6	72	173.2	-164.7	21.3	0	0	0	114.3	K257 E270 H356 N363 G378	K257-D376 IonicContact NZ-OD1 2.8Å; K257-D376 PolarHBondContact NZ-OD1 2.87Å; E270-D376 WeakPolarHBondContact OE1-CA 3.44Å; H356-D376 PolarHBondContact CE1-O 3.22Å; H356-D376 PolarHBondContact NE2-O 3.27Å; N363-D376 HydrophobicContact CB-CB 4.29Å; N363-D376 WeakPolarHBondContact ND2-CB 3.46Å; N363-D376 PolarHBondContact ND2-OD2 3.37Å; D376-G378 VanDerWaalsContact C-N 3.26Å; D376-G378 PolarHBondContact O-N 3.48Å
377	L	87.4	Confident	84.5	Confident	2 Å²	2	42 Å²	42	1%	0.01	23%	0.225	C	C	.	.			trans	-86.4	12.1	177.6	-61.4	177.9	0	0	0	113.2	E270 I273 Y274 L279 L341 L379 A380	E270-L377 HydrophobicContact CG-CB 4.41Å; E270-L377 PolarHBondContact OE1-N 3.4Å; I273-L377 HydrophobicContact CG2-CB 4.19Å; I273-L377 HydrophobicContact CG2-CD1 3.71Å; Y274-L377 HydrophobicContact CD1-CD1 4.28Å; Y274-L377 HydrophobicContact CE1-CD1 3.85Å; Y274-L377 HydrophobicContact CE2-CD1 4.39Å; L279-L377 HydrophobicContact CD1-CD1 4.33Å; L341-L377 HydrophobicContact CD1-CD2 4.16Å; L341-L377 HydrophobicContact CD2-CD2 4.37Å; L377-L379 PolarHBondContact O-N 3.07Å; L377-A380 HydrophobicContact CB-CB 4.13Å; L377-A380 HydrophobicContact CD2-CB 4.16Å; L377-A380 WeakPolarHBondContact O-CB 3.37Å; L377-A380 PolarHBondContact O-N 3.31Å
378	G	82.2	Confident	81.7	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.01	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-14.8	-176.4	0	0	0	0	0	115.3	R269 D376	R269-G378 PolarHBondContact NH1-O 3.12Å; D376-G378 VanDerWaalsContact C-N 3.26Å; D376-G378 PolarHBondContact O-N 3.48Å
379	L	85.2	Confident	78.9	Confident	20 Å²	20	44.6 Å²	44.6	11%	0.105	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	1.5	175.7	-63.8	180	0	0	0	113.7	F241 R357 D358 L377 V435	F241-L379 HydrophobicContact CZ-CD2 4.41Å; R357-L379 WeakPolarHBondContact CD-O 3.38Å; D358-L379 HydrophobicContact CB-CB 4.28Å; D358-L379 HydrophobicContact CB-CD1 3.75Å; L377-L379 PolarHBondContact O-N 3.07Å; L379-V435 HydrophobicContact CD2-CB 4.37Å
380	A	90	Very high	76.1	Confident	5 Å²	5	43 Å²	43	4%	0.041	25%	0.247	C	C	.	.			trans	-68	152.9	-174.4	0	0	0	0	0	112.6	I273 I354 A355 H356 L377	I273-A380 HydrophobicContact CD1-CB 3.65Å; I354-A380 HydrophobicContact CG2-CB 3.91Å; A355-A380 CarbonylContact O-C 3.57Å; A355-A380 WeakPolarHBondContact O-CA 3.32Å; A355-A380 VanDerWaalsContact O-CB 3.3Å; A355-A380 WeakPolarHBondContact O-CB 3.24Å; H356-A380 WeakPolarHBondContact O-CA 3.3Å; L377-A380 HydrophobicContact CB-CB 4.13Å; L377-A380 HydrophobicContact CD2-CB 4.16Å; L377-A380 WeakPolarHBondContact O-CB 3.37Å; L377-A380 PolarHBondContact O-N 3.31Å
381	L	88.3	Confident	73.3	Confident	16 Å²	16	46 Å²	46	8%	0.084	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.6	179.2	-177	68.1	0	0	0	109.6	I354 A355 P430 F481 Y484	I354-L381 CarbonylContact C-O 3.56Å; I354-L381 VanDerWaalsContact CA-O 3.26Å; I354-L381 WeakPolarHBondContact CA-O 3.31Å; A355-L381 PolarHBondContact N-O 3Å; A355-L381 PolarHBondContact O-N 2.91Å; L381-P430 HydrophobicContact CD1-CB 3.36Å; L381-P430 HydrophobicContact CD1-CG 4.13Å; L381-F481 HydrophobicContact CB-CE2 4.3Å; L381-F481 HydrophobicContact CD2-CD2 3.85Å; L381-F481 HydrophobicContact CD2-CE2 4.08Å; L381-F481 HydrophobicContact CG-CD2 4.16Å; L381-F481 HydrophobicContact CG-CE2 3.96Å; L381-F481 WeakPolarHBondContact O-CE2 3.26Å; L381-Y484 HydrophobicContact CD2-CD2 3.63Å; L381-Y484 HydrophobicContact CD2-CE2 3.78Å; L381-Y484 HydrophobicContact CD2-CG 4.14Å
382	V	87.1	Confident	70.1	Confident	30 Å²	30	47.4 Å²	47.4	18%	0.182	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.1	177.6	-176.4	0	0	0	0	109.5	I273 P352 I354 L384	I273-V382 HydrophobicContact CD1-CG2 4.22Å; I273-V382 HydrophobicContact CG1-CG2 3.92Å; P352-V382 HydrophobicContact CB-CG1 3.65Å; P352-V382 HydrophobicContact CG-CG1 3.28Å; I354-V382 HydrophobicContact CD1-CG2 4.46Å; I354-V382 HydrophobicContact CG1-CG2 4.26Å; V382-L384 HydrophobicContact CG1-CD2 3.96Å; V382-L384 HydrophobicContact CG1-CG 4.46Å; V382-L384 PolarHBondContact O-N 3.41Å
383	N	85.5	Confident	67	Low	32 Å²	32	55.7 Å²	55.7	17%	0.171	31%	0.31	C	S	.	.			trans	-77.1	101.1	173.6	-169.4	-8.8	0	0	0	110	P352 S353 Q385 F481	P352-N383 WeakPolarHBondContact CB-O 3.38Å; S353-N383 PolarHBondContact O-N 3.29Å; N383-Q385 VanDerWaalsContact C-N 3.34Å; N383-Q385 WeakPolarHBondContact OD1-CB 3.48Å; N383-Q385 VanDerWaalsContact OD1-CG 3.32Å; N383-Q385 WeakPolarHBondContact OD1-CG 3.42Å; N383-Q385 PolarHBondContact OD1-N 3.45Å; N383-Q385 VanDerWaalsContact OD1-N 3.09Å; N383-F481 HydrophobicContact CB-CD1 3.84Å; N383-F481 HydrophobicContact CB-CD2 3.7Å; N383-F481 HydrophobicContact CB-CE1 3.81Å; N383-F481 HydrophobicContact CB-CE2 3.67Å; N383-F481 HydrophobicContact CB-CG 3.77Å; N383-F481 HydrophobicContact CB-CZ 3.71Å
384	L	72	Confident	64	Low	117 Å²	117	61.2 Å²	61.2	61%	0.613	34%	0.339	S	S	*	.			trans	-89.3	10.2	-179.6	-63.1	174.9	0	0	0	113.6	V382 N386 P387	V382-L384 HydrophobicContact CG1-CD2 3.96Å; V382-L384 HydrophobicContact CG1-CG 4.46Å; V382-L384 PolarHBondContact O-N 3.41Å; L384-N386 PolarHBondContact O-N 2.9Å; L384-P387 WeakPolarHBondContact O-CD 3.42Å
385	Q	58.6	Low	60.8	Low	145 Å²	145	66 Å²	66	68%	0.678	37%	0.365	S	S	*	.	S	Bend	trans	-64.5	-12.2	-177.6	-71.5	-180	-7.4	0	0	114	N383	N383-Q385 VanDerWaalsContact C-N 3.34Å; N383-Q385 WeakPolarHBondContact OD1-CB 3.48Å; N383-Q385 VanDerWaalsContact OD1-CG 3.32Å; N383-Q385 WeakPolarHBondContact OD1-CG 3.42Å; N383-Q385 PolarHBondContact OD1-N 3.45Å; N383-Q385 VanDerWaalsContact OD1-N 3.09Å
386	N	43.5	Very low	57.8	Low	113 Å²	113	71.6 Å²	71.6	60%	0.604	39%	0.393	S	S	*	.	S	Bend	trans	-138.6	75.2	172.5	-66.3	-52.9	0	0	0	110.5	L384	L384-N386 PolarHBondContact O-N 2.9Å
387	P	42.7	Very low	55.2	Low	60 Å²	60	74.1 Å²	74.1	39%	0.39	41%	0.412	S	S	.	.			trans	-61.5	140	173.7	28	-29.8	0	0	0	108.3	L384 I389 Q391	L384-P387 WeakPolarHBondContact O-CD 3.42Å; P387-I389 PolarHBondContact O-N 3.36Å; P387-Q391 HydrophobicContact CB-CB 4.34Å
388	P	36.5	Very low	52.7	Low	57 Å²	57	78 Å²	78	37%	0.37	44%	0.439	S	S	.	.			trans	-52.1	137.6	177.6	18.1	-28.2	0	0	0	109.5	A350 G390 Q391	A350-P388 HydrophobicContact CB-CB 4.03Å; A350-P388 HydrophobicContact CB-CG 4.44Å; P388-G390 PolarHBondContact O-N 3.39Å; P388-Q391 PolarHBondContact O-N 2.87Å
389	I	34.9	Very low	50.3	Low	154 Å²	154	81.9 Å²	81.9	79%	0.79	47%	0.466	S	S	*	.	H	α-helix	trans	-47.6	-24	-170.7	-65.6	165	0	0	0	113.4	P387 Q391	P387-I389 PolarHBondContact O-N 3.36Å; I389-Q391 VanDerWaalsContact C-N 3.32Å; I389-Q391 PolarHBondContact O-N 3.24Å
390	G	33.8	Very low	47.8	Very low	61 Å²	61	88.8 Å²	88.8	63%	0.629	50%	0.5	S	S	*	.	H	α-helix	trans	-63.6	-25.2	173.3	0	0	0	0	0	116	P388	P388-G390 PolarHBondContact O-N 3.39Å
391	Q	36.3	Very low	45	Very low	103 Å²	103	96 Å²	96	48%	0.481	54%	0.537	S	S	.	.	H	α-helix	trans	-87.7	-26.5	-180	-118.3	155.5	-0.7	0	0	113	P387 P388 I389 F393 L394 N395	P387-Q391 HydrophobicContact CB-CB 4.34Å; P388-Q391 PolarHBondContact O-N 2.87Å; I389-Q391 VanDerWaalsContact C-N 3.32Å; I389-Q391 PolarHBondContact O-N 3.24Å; Q391-F393 PolarHBondContact O-N 3.22Å; Q391-L394 PolarHBondContact O-N 3.49Å; Q391-N395 PolarHBondContact O-N 3.3Å
392	A	31.9	Very low	42.2	Very low	47 Å²	47	100.4 Å²	100.4	39%	0.388	57%	0.569	S	S	.	*	H	α-helix	trans	-64.3	-31.1	173.8	0	0	0	0	0	112.2	L394 N395 L396	A392-L394 VanDerWaalsContact C-N 3.29Å; A392-L394 PolarHBondContact O-N 3.07Å; A392-N395 PolarHBondContact O-N 2.73Å; A392-L396 PolarHBondContact O-N 3.26Å
393	F	31.5	Very low	39.3	Very low	174 Å²	174	104.6 Å²	104.6	76%	0.763	60%	0.6	S	S	*	*	H	α-helix	trans	-67.5	-27.9	177.9	-138.2	-88	0	0	0	113	Q391	Q391-F393 PolarHBondContact O-N 3.22Å
394	L	35.5	Very low	36.5	Very low	116 Å²	116	106.3 Å²	106.3	61%	0.607	63%	0.625	S	S	*	*	H	α-helix	trans	-80.8	-25.8	175.4	-66.7	176.7	0	0	0	112.9	Q391 A392 S397	Q391-L394 PolarHBondContact O-N 3.49Å; A392-L394 VanDerWaalsContact C-N 3.29Å; A392-L394 PolarHBondContact O-N 3.07Å; L394-S397 PolarHBondContact O-OG 3.49Å
395	N	30.3	Very low	34.5	Very low	103 Å²	103	107.3 Å²	107.3	55%	0.551	64%	0.636	S	S	*	*	H	α-helix	trans	-76.6	-27	177.6	-73	-9.2	0	0	0	112.6	Q391 A392 S397 S398	Q391-N395 PolarHBondContact O-N 3.3Å; A392-N395 PolarHBondContact O-N 2.73Å; N395-S397 VanDerWaalsContact C-N 3.35Å; N395-S397 PolarHBondContact O-N 3.04Å; N395-S398 PolarHBondContact O-N 3.17Å
396	L	32.2	Very low	32.8	Very low	126 Å²	126	108.9 Å²	108.9	66%	0.66	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-21.5	177.4	-99.7	139.5	0	0	0	114.1	A392 S398	A392-L396 PolarHBondContact O-N 3.26Å; L396-S398 VanDerWaalsContact C-N 3.32Å
397	S	34.9	Very low	31.8	Very low	75 Å²	75	108.4 Å²	108.4	52%	0.524	65%	0.651	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.2	-18.6	173.6	62.2	0	0	0	0	113.1	L394 N395	L394-S397 PolarHBondContact O-OG 3.49Å; N395-S397 VanDerWaalsContact C-N 3.35Å; N395-S397 PolarHBondContact O-N 3.04Å
398	S	34.3	Very low	30.9	Very low	83 Å²	83	110.7 Å²	110.7	58%	0.58	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-21.6	-175.3	-58.2	0	0	0	0	113.6	N395 L396	N395-S398 PolarHBondContact O-N 3.17Å; L396-S398 VanDerWaalsContact C-N 3.32Å
399	S	32.2	Very low	30.3	Very low	83 Å²	83	111.3 Å²	111.3	58%	0.58	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-81.5	-12.6	179.3	60.3	0	0	0	0	114.3
400	M	31.6	Very low	29.9	Very low	164 Å²	164	112.3 Å²	112.3	81%	0.808	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-87.6	-5.4	-178.2	-78.4	-73.9	164.2	0	0	114.8
401	L	31.4	Very low	29.4	Very low	156 Å²	156	115.4 Å²	115.4	82%	0.817	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-109.8	10.1	-177.5	-74	166.9	0	0	0	114.9	S403	L401-S403 VanDerWaalsContact C-N 3.25Å; L401-S403 PolarHBondContact O-N 3.42Å
402	S	29.5	Very low	29	Very low	110 Å²	110	119.9 Å²	119.9	77%	0.769	72%	0.718	S	S	*	*			trans	-89.4	54.2	171.9	-172.2	0	0	0	0	112.3
403	S	26.2	Very low	28.6	Very low	117 Å²	117	122.4 Å²	122.4	82%	0.818	73%	0.733	S	S	*	*			trans	-147.8	91	169.4	-67.6	0	0	0	0	109	L401	L401-S403 VanDerWaalsContact C-N 3.25Å; L401-S403 PolarHBondContact O-N 3.42Å
404	G	28	Very low	28.2	Very low	68 Å²	68	121 Å²	121	70%	0.701	73%	0.733	S	S	*	*			trans	152.6	89.8	165.2	0	0	0	0	0	117.6
405	V	28.6	Very low	27.8	Very low	138 Å²	138	127.7 Å²	127.7	84%	0.836	75%	0.75	S	S	*	*				59.3	99.7	129.2	-171.3	0	0	0	0	119.3
406	M	22.3	Very low	27.5	Very low	179 Å²	179	130.1 Å²	130.1	88%	0.882	76%	0.762	S	S	*	*				48.3	121.5	118.9	-64.3	-135.3	156.9	0	0	122.7
407	S	24.3	Very low	27.2	Very low	103 Å²	103	130.3 Å²	130.3	72%	0.72	77%	0.773	S	S	*	*				104.9	135	120.1	-160.3	0	0	0	0	120.3
408	S	23.6	Very low	26.8	Very low	108 Å²	108	132.2 Å²	132.2	76%	0.755	79%	0.786	S	S	*	*			trans	73.6	102.4	148.8	47.4	0	0	0	0	120.1
409	G	23	Very low	26.2	Very low	70 Å²	70	130.9 Å²	130.9	72%	0.722	79%	0.786	S	S	*	*				78	109.6	123.1	0	0	0	0	0	117.6
410	I	25.8	Very low	25.9	Very low	174 Å²	174	134.1 Å²	134.1	89%	0.892	80%	0.795	S	S	*	*				-174.3	149.6	127.2	-87.5	147.8	0	0	0	108.3
411	T	24.7	Very low	25.6	Very low	127 Å²	127	131.9 Å²	131.9	78%	0.779	80%	0.796	S	S	*	*			trans	-76.3	155.7	-153.4	43.5	0	0	0	0	116.8	S413	T411-S413 PolarHBondContact O-N 3.13Å
412	Q	26.5	Very low	25.3	Very low	197 Å²	197	126.5 Å²	126.5	92%	0.921	78%	0.778	S	S	*	*			trans	-57.8	108.5	171.8	-80.3	171.2	-16.6	0	0	113.5
413	S	24.4	Very low	25.3	Very low	100 Å²	100	126.2 Å²	126.2	70%	0.699	77%	0.774	S	S	*	*			trans	-178	144.9	139.4	47.1	0	0	0	0	107.1	T411	T411-S413 PolarHBondContact O-N 3.13Å
414	D	23.9	Very low	25.4	Very low	144 Å²	144	125.7 Å²	125.7	77%	0.77	77%	0.77	S	S	*	*			trans	80.1	66.3	177.3	-51.8	-21.2	0	0	0	116.8
415	R	25.6	Very low	25.5	Very low	257 Å²	257	125.5 Å²	125.5	97%	0.97	76%	0.758	S	S	*	*			trans	-108.9	78.9	145.1	-79.8	-167.3	-167.1	178.1	5.3	109.7
416	L	24.6	Very low	25.8	Very low	154 Å²	154	126.1 Å²	126.1	81%	0.806	76%	0.756	S	S	*	*			trans	-73.8	126	159.9	-108.4	142.3	0	0	0	108.8	S418	L416-S418 PolarHBondContact O-N 2.97Å; L416-S418 VanDerWaalsContact O-N 3.09Å
417	C	27	Very low	26.4	Very low	130 Å²	130	118.8 Å²	118.8	88%	0.878	73%	0.726	S	S	*	*	S	Bend	trans	-37.7	101.8	-179.3	-59.6	0	0	0	0	114.7
418	S	24.7	Very low	27.2	Very low	114 Å²	114	116.3 Å²	116.3	80%	0.797	71%	0.708	S	S	*	*			trans	-166.6	126.7	154.4	48.8	0	0	0	0	109	L416	L416-S418 PolarHBondContact O-N 2.97Å; L416-S418 VanDerWaalsContact O-N 3.09Å
419	G	22.7	Very low	28.1	Very low	56 Å²	56	116.4 Å²	116.4	58%	0.577	71%	0.706	S	S	*	*	S	Bend	trans	123.7	102.5	170.5	0	0	0	0	0	113.2
420	L	24.9	Very low	29.3	Very low	150 Å²	150	116.5 Å²	116.5	79%	0.785	69%	0.693	S	S	*	*			trans	55.3	80.6	145.1	-54.3	168.8	0	0	0	114.1	G422	L420-G422 PolarHBondContact O-N 3.34Å
421	S	25.8	Very low	30.8	Very low	118 Å²	118	109.7 Å²	109.7	83%	0.825	66%	0.663	S	S	*	*			trans	-59.5	87.2	150	51.5	0	0	0	0	107.8
422	G	24.7	Very low	32.7	Very low	42 Å²	42	105.7 Å²	105.7	43%	0.433	65%	0.647	S	S	.	*			trans	-53.5	169.2	150.4	0	0	0	0	0	109.1	L420 S424	L420-G422 PolarHBondContact O-N 3.34Å; G422-S424 PolarHBondContact O-N 3.32Å; G422-S424 PolarHBondContact O-OG 3.15Å
423	P	30.6	Very low	34.7	Very low	104 Å²	104	96.8 Å²	96.8	68%	0.675	61%	0.606	S	S	*	*	S	Bend	trans	-75.4	67.9	-169	34	-34.9	0	0	0	111	S425	P423-S425 PolarHBondContact O-N 3.15Å
424	S	26.9	Very low	37.1	Very low	106 Å²	106	96.7 Å²	96.7	74%	0.741	59%	0.591	S	S	*	*			trans	-78.9	39.7	149.3	52.5	0	0	0	0	109.5	G422 L426	G422-S424 PolarHBondContact O-N 3.32Å; G422-S424 PolarHBondContact O-OG 3.15Å; S424-L426 VanDerWaalsContact C-N 3.28Å
425	S	31.8	Very low	39.7	Very low	64 Å²	64	91.3 Å²	91.3	45%	0.448	56%	0.563	S	S	.	*			trans	-91.4	12.7	172.8	77.6	0	0	0	0	112	P423 G427	P423-S425 PolarHBondContact O-N 3.15Å; S425-G427 PolarHBondContact O-N 3.16Å
426	L	35	Very low	42.6	Very low	152 Å²	152	80 Å²	80	80%	0.796	53%	0.527	S	S	*	.			trans	-73.8	85.7	157	-80.2	147.9	0	0	0	105.4	S424	S424-L426 VanDerWaalsContact C-N 3.28Å
427	G	35.2	Very low	45.9	Very low	25 Å²	25	74.7 Å²	74.7	26%	0.258	50%	0.501	S	S	.	.			trans	-44.6	156.5	160.5	0	0	0	0	0	109.8	S425	S425-G427 PolarHBondContact O-N 3.16Å
428	P	39.7	Very low	49	Very low	51 Å²	51	70.9 Å²	70.9	33%	0.331	47%	0.469	S	S	.	.	S	Bend	trans	-47.7	137	-172.6	15.2	-27.3	0	0	0	110.3	A265 R269	A265-P428 HydrophobicContact CB-CG 3.62Å; R269-P428 PolarHBondContact NH2-O 3.17Å
429	P	42.2	Very low	52.4	Low	110 Å²	110	66 Å²	66	71%	0.714	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-47.1	139.4	-167.5	17.3	-31.3	0	0	0	109.9	A431	P429-A431 PolarHBondContact O-N 3.34Å
430	P	49.8	Very low	55.9	Low	71 Å²	71	64.2 Å²	64.2	46%	0.461	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-53.2	119.2	-174.3	20.3	-31.2	0	0	0	108.5	L381 G432	L381-P430 HydrophobicContact CD1-CB 3.36Å; L381-P430 HydrophobicContact CD1-CG 4.13Å; P430-G432 PolarHBondContact O-N 3.21Å
431	A	56.4	Low	59.2	Low	32 Å²	32	57.5 Å²	57.5	26%	0.264	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-55.7	137.7	-177	0	0	0	0	0	108.5	R357 P429 V435	R357-A431 PolarHBondContact NH1-O 3.28Å; R357-A431 PolarHBondContact NH2-O 2.86Å; P429-A431 PolarHBondContact O-N 3.34Å; A431-V435 HydrophobicContact CB-CB 4.42Å; A431-V435 HydrophobicContact CB-CG1 3.35Å; A431-V435 HydrophobicContact CB-CG2 4.27Å
432	G	64	Low	62.5	Low	42 Å²	42	52 Å²	52	43%	0.433	34%	0.335	S	S	.	.			trans	-60	-171.6	-179.2	0	0	0	0	0	113.1	R357 P430 R434	R357-G432 PolarHBondContact NH2-O 2.83Å; P430-G432 PolarHBondContact O-N 3.21Å; G432-R434 PolarHBondContact O-N 3.24Å
433	P	69.3	Low	65.7	Low	11 Å²	11	50.4 Å²	50.4	7%	0.071	32%	0.317	C	S	.	.	S	Bend	trans	-61.1	-14.9	-175	24.2	-34	0	0	0	114.4	V435 M441 A448 I449 L479	P433-V435 PolarHBondContact O-N 2.85Å; P433-M441 VanDerWaalsContact O-CE 3.26Å; P433-M441 WeakPolarHBondContact O-CE 3.48Å; P433-A448 HydrophobicContact CB-CB 4.13Å; P433-A448 HydrophobicContact CG-CB 4.09Å; P433-I449 HydrophobicContact CB-CG1 4.33Å; P433-I449 HydrophobicContact CG-CG1 4.42Å; P433-L479 HydrophobicContact CB-CD1 4.41Å
434	R	74.9	Confident	68.6	Low	97 Å²	97	46.4 Å²	46.4	37%	0.366	29%	0.29	S	S	.	.	S	Bend	trans	-75.1	29.8	179.9	-68.1	-174.2	174.2	133.4	16.6	115.5	G432 I449 T452 H453 F528	G432-R434 PolarHBondContact O-N 3.24Å; R434-I449 HydrophobicContact CG-CB 4.4Å; R434-I449 HydrophobicContact CG-CD1 4.1Å; R434-I449 HydrophobicContact CG-CG1 3.74Å; R434-I449 HydrophobicContact CG-CG2 4.01Å; R434-I449 PolarHBondContact NH2-O 2.85Å; R434-T452 VanDerWaalsContact CZ-OG1 3.3Å; R434-T452 PolarHBondContact NH2-OG1 2.94Å; R434-H453 PolarHBondContact NH2-CD2 2.83Å; R434-H453 PolarHBondContact NH2-CE1 2.88Å; R434-H453 VanDerWaalsContact NH2-CE1 3.32Å; R434-H453 PolarHBondContact NH2-ND1 3.36Å; R434-H453 PolarHBondContact NH2-NE2 3.34Å; R434-F528 HydrophobicContact CB-CZ 4.34Å
435	V	78.7	Confident	71.6	Confident	31 Å²	31	42 Å²	42	19%	0.188	26%	0.258	C	S	.	.			trans	-125.3	159.5	176.5	-59.6	0	0	0	0	111.9	R357 L379 A431 P433	R357-V435 VanDerWaalsContact CZ-CG2 3.4Å; L379-V435 HydrophobicContact CD2-CB 4.37Å; A431-V435 HydrophobicContact CB-CB 4.42Å; A431-V435 HydrophobicContact CB-CG1 3.35Å; A431-V435 HydrophobicContact CB-CG2 4.27Å; P433-V435 PolarHBondContact O-N 2.85Å
436	G	86.8	Confident	74.4	Confident	21 Å²	21	39 Å²	39	22%	0.216	24%	0.237	C	C	.	.	S	Bend	trans	99.5	177	-174.4	0	0	0	0	0	112.3	D358 K438	D358-G436 WeakPolarHBondContact OD1-CA 3.48Å; G436-K438 PolarHBondContact O-N 3.1Å
437	T	92.4	Very high	76.8	Confident	41 Å²	41	36.2 Å²	36.2	25%	0.252	22%	0.221	S	C	.	.			trans	-83.4	110	-178.1	-59.1	0	0	0	0	110	D358 K360 R439 Y440 M441	D358-T437 VanDerWaalsContact OD1-CB 3.27Å; D358-T437 WeakPolarHBondContact OD1-CB 3.33Å; D358-T437 PolarHBondContact OD1-N 2.7Å; D358-T437 PolarHBondContact OD1-OG1 3.35Å; K360-T437 HydrophobicContact CD-CG2 4.13Å; K360-T437 VanDerWaalsContact CD-OG1 3.22Å; K360-T437 WeakPolarHBondContact CD-OG1 3.45Å; K360-T437 WeakPolarHBondContact CE-OG1 3.34Å; K360-T437 PolarHBondContact NZ-OG1 3.05Å; T437-R439 PolarHBondContact O-N 3.27Å; T437-Y440 HydrophobicContact CG2-CD2 3.74Å; T437-Y440 HydrophobicContact CG2-CE2 4.27Å; T437-Y440 PolarHBondContact O-N 3.22Å; T437-M441 PolarHBondContact O-N 3.38Å
438	K	93.5	Very high	79.1	Confident	51 Å²	51	35.6 Å²	35.6	22%	0.222	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-45.4	-42.4	-173.1	-52.5	-174.4	-145.2	102.7	0	114.7	G436 Y440 M441 D525 P526 F528 M531	G436-K438 PolarHBondContact O-N 3.1Å; K438-Y440 PolarHBondContact O-N 3.18Å; K438-M441 HydrophobicContact CB-SD 4.47Å; K438-M441 HydrophobicContact CG-SD 4.49Å; K438-M441 WeakPolarHBondContact O-CB 3.41Å; K438-M441 PolarHBondContact O-N 3.1Å; K438-M441 VanDerWaalsContact O-N 3.14Å; K438-D525 IonicContact NZ-OD1 2.78Å; K438-D525 PolarHBondContact NZ-OD1 3.15Å; K438-P526 HydrophobicContact CB-CG 4.43Å; K438-P526 VanDerWaalsContact CD-O 3.24Å; K438-P526 WeakPolarHBondContact CD-O 3.03Å; K438-P526 PolarHBondContact NZ-O 2.95Å; K438-F528 HydrophobicContact CD-CD1 4.18Å; K438-F528 HydrophobicContact CD-CD2 4.24Å; K438-F528 HydrophobicContact CD-CE1 4.19Å; K438-F528 HydrophobicContact CD-CE2 4.23Å; K438-F528 HydrophobicContact CD-CG 4.22Å; K438-F528 HydrophobicContact CD-CZ 4.22Å; K438-F528 HydrophobicContact CG-CD1 4.19Å; K438-F528 HydrophobicContact CG-CE1 3.92Å; K438-F528 HydrophobicContact CG-CZ 4.17Å; K438-M531 HydrophobicContact CB-CG 4.31Å
439	R	95.2	Very high	80.9	Confident	11 Å²	11	33.3 Å²	33.3	4%	0.042	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-60	-26.6	179	-176.7	178.1	-63.7	-75	-5.6	114.3	T437 P517 F518 P523 P524 P526 M531	T437-R439 PolarHBondContact O-N 3.27Å; R439-P517 WeakPolarHBondContact CD-O 3.35Å; R439-P517 HydrophobicContact CG-CB 4.46Å; R439-P517 WeakPolarHBondContact CG-O 3.22Å; R439-P517 PolarHBondContact NH1-O 2.96Å; R439-F518 HydrophobicContact CG-CD2 4.4Å; R439-F518 PolarHBondContact NH1-O 3.41Å; R439-P523 PolarHBondContact NH2-O 3.02Å; R439-P524 VanDerWaalsContact NH2-C 3.27Å; R439-P524 VanDerWaalsContact NH2-CA 3.33Å; R439-P524 PolarHBondContact NH2-O 2.83Å; R439-P526 HydrophobicContact CB-CG 4.48Å; R439-M531 WeakPolarHBondContact O-CE 3.1Å
440	Y	96.8	Very high	81.9	Confident	19 Å²	19	30.2 Å²	30.2	8%	0.075	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-103.3	2.3	-178.2	-65.5	-98.4	0	0	0	112.7	K360 S361 T437 K438 L494 V495 E498 P517	K360-Y440 HydrophobicContact CB-CD1 4.05Å; K360-Y440 HydrophobicContact CB-CD2 3.85Å; K360-Y440 HydrophobicContact CB-CE1 3.97Å; K360-Y440 HydrophobicContact CB-CE2 3.75Å; K360-Y440 HydrophobicContact CB-CG 4.01Å; S361-Y440 PolarHBondContact OG-OH 3.47Å; T437-Y440 HydrophobicContact CG2-CD2 3.74Å; T437-Y440 HydrophobicContact CG2-CE2 4.27Å; T437-Y440 PolarHBondContact O-N 3.22Å; K438-Y440 PolarHBondContact O-N 3.18Å; Y440-L494 HydrophobicContact CD1-CB 3.86Å; Y440-L494 HydrophobicContact CD1-CD1 3.99Å; Y440-L494 HydrophobicContact CE1-CB 4.09Å; Y440-L494 HydrophobicContact CG-CD1 4.36Å; Y440-V495 HydrophobicContact CE1-CG2 4.13Å; Y440-E498 VanDerWaalsContact CE1-OE2 3.26Å; Y440-E498 WeakPolarHBondContact CE1-OE2 3.24Å; Y440-E498 VanDerWaalsContact OH-CD 3.27Å; Y440-E498 PolarHBondContact OH-OE1 3.41Å; Y440-E498 PolarHBondContact OH-OE2 3.19Å; Y440-P517 HydrophobicContact CE1-CG 3.96Å
441	M	94.5	Very high	82.3	Confident	9 Å²	9	31 Å²	31	4%	0.044	18%	0.175	C	C	.	.			trans	-74.5	133.8	-177.2	-68.8	-177	71.1	0	0	111.5	P433 T437 K438 L445 L446 I449 F528	P433-M441 VanDerWaalsContact O-CE 3.26Å; P433-M441 WeakPolarHBondContact O-CE 3.48Å; T437-M441 PolarHBondContact O-N 3.38Å; K438-M441 HydrophobicContact CB-SD 4.47Å; K438-M441 HydrophobicContact CG-SD 4.49Å; K438-M441 WeakPolarHBondContact O-CB 3.41Å; K438-M441 PolarHBondContact O-N 3.1Å; K438-M441 VanDerWaalsContact O-N 3.14Å; M441-L445 HydrophobicContact CE-CB 3.9Å; M441-L445 HydrophobicContact CE-CD1 4.47Å; M441-L446 HydrophobicContact CB-CD2 4.14Å; M441-L446 HydrophobicContact CB-CG 4.15Å; M441-L446 HydrophobicContact SD-CD2 4.44Å; M441-I449 HydrophobicContact CE-CD1 3.9Å; M441-F528 HydrophobicContact CE-CE1 4.03Å; M441-F528 HydrophobicContact SD-CD1 4.13Å; M441-F528 HydrophobicContact SD-CE1 3.55Å; M441-F528 VanDerWaalsContact SD-CE1 3.55Å
442	A	94.6	Very high	82.1	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.008	17%	0.174	C	C	.	.			trans	-71.2	153.7	176.8	0	0	0	0	0	112	E444 L445 L446 A487 Y490	A442-E444 VanDerWaalsContact C-N 3.3Å; A442-E444 WeakPolarHBondContact CB-OE1 3.3Å; A442-E444 WeakPolarHBondContact CB-OE2 3.26Å; A442-E444 PolarHBondContact O-N 3.5Å; A442-L445 PolarHBondContact O-N 3.14Å; A442-L445 VanDerWaalsContact O-N 3.12Å; A442-L446 PolarHBondContact O-N 3.21Å; A442-L446 VanDerWaalsContact O-N 3.17Å; A442-A487 HydrophobicContact CB-CB 3.83Å; A442-Y490 HydrophobicContact CB-CD1 3.89Å; A442-Y490 HydrophobicContact CB-CD2 4.32Å; A442-Y490 HydrophobicContact CB-CG 3.76Å
443	P	92.4	Very high	81.4	Confident	9 Å²	9	34 Å²	34	6%	0.058	18%	0.175	C	C	.	.	H	α-helix	trans	-55.4	-41.4	-176.5	16.4	-28.7	0	0	0	113.4	L445 L446 M447 V535	P443-L445 VanDerWaalsContact C-N 3.3Å; P443-L445 PolarHBondContact O-N 3.33Å; P443-L446 WeakPolarHBondContact O-CB 3.29Å; P443-L446 PolarHBondContact O-N 3.01Å; P443-L446 VanDerWaalsContact O-N 3.13Å; P443-M447 WeakPolarHBondContact O-CG 3.38Å; P443-M447 PolarHBondContact O-N 3.01Å; P443-V535 HydrophobicContact CB-CG1 4.02Å; P443-V535 HydrophobicContact CG-CG1 4.27Å
444	E	90.4	Very high	80	Confident	21 Å²	21	36.7 Å²	36.7	10%	0.098	20%	0.198	C	C	.	.	H	α-helix	trans	-66.8	-30.1	-178.5	66	-77.2	-176.3	0	0	113.3	A442 A448 V483 W602 R605	A442-E444 VanDerWaalsContact C-N 3.3Å; A442-E444 WeakPolarHBondContact CB-OE1 3.3Å; A442-E444 WeakPolarHBondContact CB-OE2 3.26Å; A442-E444 PolarHBondContact O-N 3.5Å; E444-A448 WeakPolarHBondContact O-CB 3.22Å; E444-A448 PolarHBondContact O-N 3.44Å; E444-A448 VanDerWaalsContact O-N 3.16Å; E444-V483 HydrophobicContact CG-CG1 3.62Å; E444-W602 HydrophobicContact CG-CB 4.19Å; E444-W602 HydrophobicContact CG-CG 4.18Å; E444-R605 IonicContact OE1-CZ 3.35Å; E444-R605 IonicContact OE1-NH1 3.67Å; E444-R605 PolarHBondContact OE1-NH1 2.78Å; E444-R605 IonicContact OE1-NH2 3.6Å; E444-R605 IonicContact OE2-CZ 3.58Å; E444-R605 IonicContact OE2-NH1 2.9Å; E444-R605 PolarHBondContact OE2-NH1 2.78Å; E444-R605 IonicContact OE2-NH2 3.38Å; E444-R605 PolarHBondContact OE2-NH2 3.02Å
445	L	90.9	Very high	78.3	Confident	12 Å²	12	36 Å²	36	6%	0.063	21%	0.208	C	C	.	.	H	α-helix	trans	-73.1	-39.5	171.9	-62.7	-172.4	0	0	0	111.1	M441 A442 P443 A448 I449 L479 V483 Y484 A487	M441-L445 HydrophobicContact CE-CB 3.9Å; M441-L445 HydrophobicContact CE-CD1 4.47Å; A442-L445 PolarHBondContact O-N 3.14Å; A442-L445 VanDerWaalsContact O-N 3.12Å; P443-L445 VanDerWaalsContact C-N 3.3Å; P443-L445 PolarHBondContact O-N 3.33Å; L445-A448 PolarHBondContact O-N 3.26Å; L445-I449 WeakPolarHBondContact O-CG1 3.48Å; L445-I449 PolarHBondContact O-N 3.16Å; L445-L479 HydrophobicContact CD2-CD1 3.68Å; L445-V483 HydrophobicContact CD2-CG1 4.31Å; L445-Y484 HydrophobicContact CD2-CD1 4.12Å; L445-Y484 HydrophobicContact CD2-CE1 4.12Å; L445-A487 HydrophobicContact CD1-CB 3.52Å; L445-A487 HydrophobicContact CD2-CB 4.44Å; L445-A487 HydrophobicContact CG-CB 3.86Å
446	L	89.3	Confident	76.4	Confident	3 Å²	3	38.5 Å²	38.5	2%	0.016	23%	0.227	C	C	.	.	H	α-helix	trans	-64.1	-41.7	176.3	-68.5	169.2	0	0	0	111.6	M441 A442 P443 I449 F528 M531 R532 V535	M441-L446 HydrophobicContact CB-CD2 4.14Å; M441-L446 HydrophobicContact CB-CG 4.15Å; M441-L446 HydrophobicContact SD-CD2 4.44Å; A442-L446 PolarHBondContact O-N 3.21Å; A442-L446 VanDerWaalsContact O-N 3.17Å; P443-L446 WeakPolarHBondContact O-CB 3.29Å; P443-L446 PolarHBondContact O-N 3.01Å; P443-L446 VanDerWaalsContact O-N 3.13Å; L446-I449 WeakPolarHBondContact O-CB 3.42Å; L446-I449 PolarHBondContact O-N 3.41Å; L446-F528 HydrophobicContact CD2-CD1 4.11Å; L446-M531 HydrophobicContact CD1-CB 3.96Å; L446-M531 HydrophobicContact CD2-CB 4.09Å; L446-R532 HydrophobicContact CB-CB 4.35Å; L446-V535 HydrophobicContact CD1-CB 4.2Å; L446-V535 HydrophobicContact CD1-CG1 4.48Å
447	M	85.4	Confident	73.8	Confident	92 Å²	92	44.3 Å²	44.3	45%	0.453	25%	0.253	S	S	.	.	H	α-helix	trans	-66	-37.5	176.4	-71	179.3	167.4	0	0	112.7	P443 I449 D450 C536	P443-M447 WeakPolarHBondContact O-CG 3.38Å; P443-M447 PolarHBondContact O-N 3.01Å; M447-I449 PolarHBondContact O-N 3.43Å; M447-D450 PolarHBondContact O-N 3.45Å; M447-C536 HydrophobicContact CE-CB 3.79Å
448	A	83.4	Confident	70.9	Confident	12 Å²	12	47.6 Å²	47.6	10%	0.099	28%	0.277	C	S	.	.	H	α-helix	trans	-66.9	-20.2	178.6	0	0	0	0	0	113.6	P433 E444 L445 L479	P433-A448 HydrophobicContact CB-CB 4.13Å; P433-A448 HydrophobicContact CG-CB 4.09Å; E444-A448 WeakPolarHBondContact O-CB 3.22Å; E444-A448 PolarHBondContact O-N 3.44Å; E444-A448 VanDerWaalsContact O-N 3.16Å; L445-A448 PolarHBondContact O-N 3.26Å; A448-L479 HydrophobicContact CB-CD1 3.76Å; A448-L479 HydrophobicContact CB-CD2 4.18Å; A448-L479 HydrophobicContact CB-CG 4.27Å
449	I	77.6	Confident	67.8	Low	3 Å²	3	48 Å²	48	2%	0.015	30%	0.296	C	S	.	.	H	α-helix	trans	-68.2	-34.3	179.2	-71.8	172.2	0	0	0	112	P433 R434 M441 L445 L446 M447 T452 H453 F528	P433-I449 HydrophobicContact CB-CG1 4.33Å; P433-I449 HydrophobicContact CG-CG1 4.42Å; R434-I449 HydrophobicContact CG-CB 4.4Å; R434-I449 HydrophobicContact CG-CD1 4.1Å; R434-I449 HydrophobicContact CG-CG1 3.74Å; R434-I449 HydrophobicContact CG-CG2 4.01Å; R434-I449 PolarHBondContact NH2-O 2.85Å; M441-I449 HydrophobicContact CE-CD1 3.9Å; L445-I449 WeakPolarHBondContact O-CG1 3.48Å; L445-I449 PolarHBondContact O-N 3.16Å; L446-I449 WeakPolarHBondContact O-CB 3.42Å; L446-I449 PolarHBondContact O-N 3.41Å; M447-I449 PolarHBondContact O-N 3.43Å; I449-T452 PolarHBondContact O-N 2.86Å; I449-T452 PolarHBondContact O-OG1 3.49Å; I449-H453 PolarHBondContact O-N 3.5Å; I449-F528 HydrophobicContact CD1-CD1 3.29Å; I449-F528 HydrophobicContact CD1-CE1 3.38Å; I449-F528 HydrophobicContact CD1-CG 4.02Å; I449-F528 HydrophobicContact CD1-CZ 4.19Å
450	D	63.6	Low	64.6	Low	46 Å²	46	54.7 Å²	54.7	25%	0.246	33%	0.333	C	S	.	.	H	α-helix	trans	-76.2	-35.7	-176.7	-71.2	-28.8	0	0	0	112.6	M447 T452 H453 A454 R532	M447-D450 PolarHBondContact O-N 3.45Å; D450-T452 PolarHBondContact O-N 2.94Å; D450-H453 WeakPolarHBondContact O-CA 3.29Å; D450-H453 WeakPolarHBondContact O-CB 3.46Å; D450-H453 PolarHBondContact O-N 2.89Å; D450-A454 PolarHBondContact O-N 3.34Å; D450-R532 IonicContact OD1-NH1 3.5Å; D450-R532 PolarHBondContact OD1-NH1 3.4Å; D450-R532 WeakPolarHBondContact OD2-CD 3.35Å; D450-R532 IonicContact OD2-CZ 3.32Å; D450-R532 IonicContact OD2-NE 3.58Å; D450-R532 IonicContact OD2-NH1 3.43Å; D450-R532 PolarHBondContact OD2-NH1 3.48Å
451	I	57.7	Low	61.3	Low	86 Å²	86	61.8 Å²	61.8	44%	0.441	37%	0.372	S	S	.	.	H	α-helix	trans	-56.7	-39.1	174.9	-58.7	175.6	0	0	0	109.7	H453 A454 S455	I451-H453 VanDerWaalsContact C-N 3.33Å; I451-H453 PolarHBondContact O-N 3.37Å; I451-A454 PolarHBondContact O-N 3Å; I451-S455 PolarHBondContact O-N 3.49Å; I451-S455 PolarHBondContact O-OG 3.41Å
452	T	52.7	Low	58.2	Low	39 Å²	39	68 Å²	68	24%	0.239	41%	0.411	C	S	.	.	H	α-helix	trans	-72.3	-21.2	177	64.9	0	0	0	0	114.3	R434 I449 D450 S456	R434-T452 VanDerWaalsContact CZ-OG1 3.3Å; R434-T452 PolarHBondContact NH2-OG1 2.94Å; I449-T452 PolarHBondContact O-N 2.86Å; I449-T452 PolarHBondContact O-OG1 3.49Å; D450-T452 PolarHBondContact O-N 2.94Å; T452-S456 PolarHBondContact O-OG 2.94Å
453	H	49.3	Very low	54.9	Low	99 Å²	99	73.6 Å²	73.6	46%	0.458	45%	0.45	S	S	.	.	H	α-helix	trans	-79.2	-40.9	170.5	-85.3	-59.1	0	0	0	112	R434 I449 D450 I451 S455 S456	R434-H453 PolarHBondContact NH2-CD2 2.83Å; R434-H453 PolarHBondContact NH2-CE1 2.88Å; R434-H453 VanDerWaalsContact NH2-CE1 3.32Å; R434-H453 PolarHBondContact NH2-ND1 3.36Å; R434-H453 PolarHBondContact NH2-NE2 3.34Å; I449-H453 PolarHBondContact O-N 3.5Å; D450-H453 WeakPolarHBondContact O-CA 3.29Å; D450-H453 WeakPolarHBondContact O-CB 3.46Å; D450-H453 PolarHBondContact O-N 2.89Å; I451-H453 VanDerWaalsContact C-N 3.33Å; I451-H453 PolarHBondContact O-N 3.37Å; H453-S455 VanDerWaalsContact C-N 3.31Å; H453-S455 PolarHBondContact O-N 3.5Å; H453-S456 PolarHBondContact O-N 3.22Å; H453-S456 VanDerWaalsContact O-N 3.14Å; H453-S456 PolarHBondContact O-OG 3.38Å
454	A	40.3	Very low	51.8	Low	67 Å²	67	77 Å²	77	55%	0.554	49%	0.487	S	S	*	.	H	α-helix	trans	-63.2	-37	-178.3	0	0	0	0	0	112.3	D450 I451 S456 N457 S458	D450-A454 PolarHBondContact O-N 3.34Å; I451-A454 PolarHBondContact O-N 3Å; A454-S456 VanDerWaalsContact C-N 3.27Å; A454-S456 PolarHBondContact O-N 3.4Å; A454-N457 PolarHBondContact O-N 3.07Å; A454-S458 PolarHBondContact O-N 3.35Å
455	S	38.7	Very low	48.8	Very low	82 Å²	82	84.1 Å²	84.1	57%	0.573	52%	0.524	S	S	*	.	H	α-helix	trans	-68.8	-21.7	176.9	-39.8	0	0	0	0	113.9	I451 H453	I451-S455 PolarHBondContact O-N 3.49Å; I451-S455 PolarHBondContact O-OG 3.41Å; H453-S455 VanDerWaalsContact C-N 3.31Å; H453-S455 PolarHBondContact O-N 3.5Å
456	S	38.9	Very low	45.7	Very low	84 Å²	84	89.8 Å²	89.8	59%	0.587	56%	0.559	S	S	*	*	H	α-helix	trans	-83.1	-21.9	179.4	-12.1	0	0	0	0	113	T452 H453 A454	T452-S456 PolarHBondContact O-OG 2.94Å; H453-S456 PolarHBondContact O-N 3.22Å; H453-S456 VanDerWaalsContact O-N 3.14Å; H453-S456 PolarHBondContact O-OG 3.38Å; A454-S456 VanDerWaalsContact C-N 3.27Å; A454-S456 PolarHBondContact O-N 3.4Å
457	N	32.4	Very low	42.6	Very low	144 Å²	144	97.1 Å²	97.1	77%	0.77	60%	0.598	S	S	*	*	H	α-helix	trans	-106.7	-7.2	-173.2	-80.5	-2.3	0	0	0	114.8	A454 G459	A454-N457 PolarHBondContact O-N 3.07Å; N457-G459 PolarHBondContact O-N 2.9Å; N457-G459 VanDerWaalsContact O-N 3.08Å
458	S	30.2	Very low	39.7	Very low	109 Å²	109	101.6 Å²	101.6	76%	0.762	62%	0.618	S	S	*	*			trans	-87.1	48.1	176.1	-159.6	0	0	0	0	112.7	A454	A454-S458 PolarHBondContact O-N 3.35Å
459	G	29	Very low	36.9	Very low	60 Å²	60	106.5 Å²	106.5	62%	0.619	65%	0.652	S	S	*	*			trans	-115.9	60.6	171.9	0	0	0	0	0	109.6	N457	N457-G459 PolarHBondContact O-N 2.9Å; N457-G459 VanDerWaalsContact O-N 3.08Å
460	N	28.1	Very low	34.4	Very low	151 Å²	151	114.6 Å²	114.6	81%	0.807	69%	0.693	S	S	*	*			trans	177.6	84.7	161.3	-89.9	-18.5	0	0	0	108
461	N	28.5	Very low	32.7	Very low	169 Å²	169	119.5 Å²	119.5	90%	0.904	72%	0.719	S	S	*	*			trans	-163.6	99.5	148.5	-92	-18.5	0	0	0	108.7
462	T	27.9	Very low	31.1	Very low	139 Å²	139	119.9 Å²	119.9	85%	0.853	73%	0.73	S	S	*	*			trans	-69.2	123.3	171.5	44.6	0	0	0	0	111
463	S	26.8	Very low	30.2	Very low	119 Å²	119	124 Å²	124	83%	0.832	76%	0.757	S	S	*	*			trans	179.9	102.2	140	51.1	0	0	0	0	112
464	G	25.8	Very low	29.2	Very low	81 Å²	81	126.7 Å²	126.7	84%	0.835	78%	0.775	S	S	*	*			trans	42.4	91.1	144.5	0	0	0	0	0	120.3
465	I	27.9	Very low	28.8	Very low	169 Å²	169	134 Å²	134	87%	0.867	79%	0.788	S	S	*	*			trans	-136.4	132.5	140.2	-61.9	-176.2	0	0	0	107.5
466	T	25.7	Very low	28.9	Very low	132 Å²	132	134.7 Å²	134.7	81%	0.81	79%	0.793	S	S	*	*			trans	-69.1	134	-168.7	45.1	0	0	0	0	113.9
467	N	24.1	Very low	29.3	Very low	156 Å²	156	135.7 Å²	135.7	83%	0.834	79%	0.788	S	S	*	*			trans	-6.4	112.2	156.3	-64.2	-23.6	0	0	0	117
468	E	24.6	Very low	30.8	Very low	187 Å²	187	134.7 Å²	134.7	87%	0.874	78%	0.779	S	S	*	*			trans	-156.8	131.9	136.2	-110.4	173.8	-158.7	0	0	109.7
469	S	25.7	Very low	33.3	Very low	115 Å²	115	131.5 Å²	131.5	80%	0.804	75%	0.753	S	S	*	*			trans	68.4	81.7	176.2	67.2	0	0	0	0	117.8	D471	S469-D471 PolarHBondContact O-N 2.8Å
470	I	24.9	Very low	36	Very low	173 Å²	173	131.1 Å²	131.1	89%	0.887	74%	0.741	S	S	*	*			trans	-68.9	103.3	152.1	-65.2	167.9	0	0	0	106.7
471	D	26.7	Very low	39	Very low	148 Å²	148	124.4 Å²	124.4	79%	0.791	70%	0.704	S	S	*	*			trans	-147.9	115.2	157.9	-128.7	-21.5	0	0	0	112.5	S469	S469-D471 PolarHBondContact O-N 2.8Å
472	S	25.5	Very low	42	Very low	95 Å²	95	120.4 Å²	120.4	66%	0.664	68%	0.68	S	S	*	*			trans	70.9	98.8	161.2	-63.3	0	0	0	0	120.5	N474	S472-N474 PolarHBondContact O-N 2.96Å
473	P	32.7	Very low	45.1	Very low	126 Å²	126	114.2 Å²	114.2	82%	0.818	64%	0.642	S	S	*	*	S	Bend	trans	-87.5	93.2	168.6	34	-26.9	0	0	0	110.5
474	N	29.2	Very low	48.2	Very low	155 Å²	155	108.7 Å²	108.7	83%	0.829	60%	0.603	S	S	*	*			trans	174.8	56.3	153.2	-100.9	-19.4	0	0	0	110.7	S472 S476	S472-N474 PolarHBondContact O-N 2.96Å; N474-S476 PolarHBondContact O-N 2.85Å
475	R	32.6	Very low	51.6	Low	220 Å²	220	106.6 Å²	106.6	83%	0.83	57%	0.571	S	S	*	*			trans	-71.9	71.4	159.1	-89.8	-169.4	-98.7	-162.5	-5.4	108.4	H477	R475-H477 VanDerWaalsContact C-N 3.26Å; R475-H477 PolarHBondContact O-CD2 3.49Å; R475-H477 PolarHBondContact O-N 3.46Å
476	S	40.3	Very low	54.8	Low	96 Å²	96	99 Å²	99	67%	0.671	53%	0.534	S	S	*	.			trans	-57.1	103.1	151.3	52.6	0	0	0	0	105	N474 H478	N474-S476 PolarHBondContact O-N 2.85Å; S476-H478 VanDerWaalsContact C-N 3.25Å; S476-H478 PolarHBondContact O-N 3.32Å
477	H	47.1	Very low	58.2	Low	105 Å²	105	93 Å²	93	49%	0.486	50%	0.498	S	S	.	.			trans	-56.8	90.2	-177.5	-70.5	-89.4	0	0	0	109.2	R475 L479	R475-H477 VanDerWaalsContact C-N 3.26Å; R475-H477 PolarHBondContact O-CD2 3.49Å; R475-H477 PolarHBondContact O-N 3.46Å; H477-L479 PolarHBondContact O-N 2.84Å
478	H	63.7	Low	61.7	Low	124 Å²	124	85.7 Å²	85.7	57%	0.574	46%	0.459	S	S	*	.			trans	-80	106.3	-179.1	-167.4	64.6	0	0	0	106.5	S476	S476-H478 VanDerWaalsContact C-N 3.25Å; S476-H478 PolarHBondContact O-N 3.32Å
479	L	82	Confident	65.2	Low	41 Å²	41	77 Å²	77	22%	0.215	42%	0.418	C	S	.	.			trans	-54.2	146.1	169.4	-64.1	169.8	0	0	0	109	P433 L445 A448 H477 V483 Y484	P433-L479 HydrophobicContact CB-CD1 4.41Å; L445-L479 HydrophobicContact CD2-CD1 3.68Å; A448-L479 HydrophobicContact CB-CD1 3.76Å; A448-L479 HydrophobicContact CB-CD2 4.18Å; A448-L479 HydrophobicContact CB-CG 4.27Å; H477-L479 PolarHBondContact O-N 2.84Å; L479-V483 HydrophobicContact CB-CB 4.16Å; L479-V483 HydrophobicContact CB-CG1 4.25Å; L479-V483 HydrophobicContact CB-CG2 4.43Å; L479-V483 HydrophobicContact CD1-CG1 4.02Å; L479-Y484 HydrophobicContact CB-CE2 4.02Å
480	S	87.2	Confident	68.7	Low	53 Å²	53	71.5 Å²	71.5	37%	0.371	38%	0.38	S	S	.	.			trans	-61.1	154.2	176.7	87.9	0	0	0	0	110.3	E482 V483	S480-E482 WeakPolarHBondContact CB-OE2 3.45Å; S480-E482 PolarHBondContact O-N 3.47Å; S480-E482 PolarHBondContact OG-OE2 3.42Å; S480-V483 WeakPolarHBondContact O-CB 3.5Å; S480-V483 PolarHBondContact O-N 2.81Å; S480-V483 VanDerWaalsContact O-N 3.09Å
481	F	89.5	Confident	72.2	Confident	10 Å²	10	63.6 Å²	63.6	4%	0.044	34%	0.34	C	S	.	.	H	α-helix	trans	-59.7	-35.4	-175.6	-176.7	-94.1	0	0	0	112.1	S353 A355 L381 N383 V483 Y484 Q485	S353-F481 WeakPolarHBondContact O-CZ 3.29Å; S353-F481 VanDerWaalsContact OG-CE1 3.31Å; S353-F481 WeakPolarHBondContact OG-CE1 3.39Å; A355-F481 HydrophobicContact CB-CE2 4.17Å; A355-F481 HydrophobicContact CB-CZ 3.96Å; L381-F481 HydrophobicContact CB-CE2 4.3Å; L381-F481 HydrophobicContact CD2-CD2 3.85Å; L381-F481 HydrophobicContact CD2-CE2 4.08Å; L381-F481 HydrophobicContact CG-CD2 4.16Å; L381-F481 HydrophobicContact CG-CE2 3.96Å; L381-F481 WeakPolarHBondContact O-CE2 3.26Å; N383-F481 HydrophobicContact CB-CD1 3.84Å; N383-F481 HydrophobicContact CB-CD2 3.7Å; N383-F481 HydrophobicContact CB-CE1 3.81Å; N383-F481 HydrophobicContact CB-CE2 3.67Å; N383-F481 HydrophobicContact CB-CG 3.77Å; N383-F481 HydrophobicContact CB-CZ 3.71Å; F481-V483 PolarHBondContact O-N 3.32Å; F481-Y484 WeakPolarHBondContact O-CB 3.47Å; F481-Y484 PolarHBondContact O-N 3.28Å; F481-Y484 VanDerWaalsContact O-N 3.07Å; F481-Q485 HydrophobicContact CD1-CG 3.89Å; F481-Q485 VanDerWaalsContact CE1-CD 3.47Å; F481-Q485 HydrophobicContact CE1-CG 3.54Å; F481-Q485 HydrophobicContact CZ-CG 4.36Å; F481-Q485 PolarHBondContact O-N 3.12Å
482	E	91.7	Very high	75.6	Confident	85 Å²	85	56.5 Å²	56.5	40%	0.397	30%	0.302	S	S	.	.	H	α-helix	trans	-61.8	-30.7	179.6	-58	73.3	-158.9	0	0	112.1	S480 Y484 Q485 A486 W602	S480-E482 WeakPolarHBondContact CB-OE2 3.45Å; S480-E482 PolarHBondContact O-N 3.47Å; S480-E482 PolarHBondContact OG-OE2 3.42Å; E482-Y484 VanDerWaalsContact C-N 3.32Å; E482-Y484 PolarHBondContact O-N 3.04Å; E482-Q485 PolarHBondContact O-N 3.39Å; E482-A486 WeakPolarHBondContact O-CB 3.42Å; E482-A486 PolarHBondContact O-N 3.03Å; E482-W602 HydrophobicContact CB-CZ3 4.21Å
483	V	92.8	Very high	79.1	Confident	8 Å²	8	52 Å²	52	5%	0.048	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-41.8	174.8	177.8	0	0	0	0	110.5	E444 L445 L479 S480 F481 Q485 A486 A487 W602	E444-V483 HydrophobicContact CG-CG1 3.62Å; L445-V483 HydrophobicContact CD2-CG1 4.31Å; L479-V483 HydrophobicContact CB-CB 4.16Å; L479-V483 HydrophobicContact CB-CG1 4.25Å; L479-V483 HydrophobicContact CB-CG2 4.43Å; L479-V483 HydrophobicContact CD1-CG1 4.02Å; S480-V483 WeakPolarHBondContact O-CB 3.5Å; S480-V483 PolarHBondContact O-N 2.81Å; S480-V483 VanDerWaalsContact O-N 3.09Å; F481-V483 PolarHBondContact O-N 3.32Å; V483-Q485 VanDerWaalsContact C-N 3.34Å; V483-A486 PolarHBondContact O-N 3.3Å; V483-A487 WeakPolarHBondContact O-CB 3.39Å; V483-A487 PolarHBondContact O-N 3.48Å; V483-W602 HydrophobicContact CG2-CD2 4.27Å; V483-W602 HydrophobicContact CG2-CE3 4.36Å; V483-W602 HydrophobicContact CG2-CH2 3.84Å; V483-W602 HydrophobicContact CG2-CZ2 3.73Å; V483-W602 HydrophobicContact CG2-CZ3 4.16Å
484	Y	93.8	Very high	82.3	Confident	4 Å²	4	46 Å²	46	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-68	-35.6	176.5	-60.5	-76.6	0	0	0	111.9	R357 L381 L445 L479 F481 E482 A487 D488	R357-Y484 HydrophobicContact CG-CD1 4.28Å; L381-Y484 HydrophobicContact CD2-CD2 3.63Å; L381-Y484 HydrophobicContact CD2-CE2 3.78Å; L381-Y484 HydrophobicContact CD2-CG 4.14Å; L445-Y484 HydrophobicContact CD2-CD1 4.12Å; L445-Y484 HydrophobicContact CD2-CE1 4.12Å; L479-Y484 HydrophobicContact CB-CE2 4.02Å; F481-Y484 WeakPolarHBondContact O-CB 3.47Å; F481-Y484 PolarHBondContact O-N 3.28Å; F481-Y484 VanDerWaalsContact O-N 3.07Å; E482-Y484 VanDerWaalsContact C-N 3.32Å; E482-Y484 PolarHBondContact O-N 3.04Å; Y484-A487 PolarHBondContact O-N 3.34Å; Y484-D488 PolarHBondContact O-N 3.21Å; Y484-D488 VanDerWaalsContact O-N 3.07Å
485	Q	95.3	Very high	85.6	Confident	36 Å²	36	38.6 Å²	38.6	17%	0.168	19%	0.192	C	C	.	.	H	α-helix	trans	-64.2	-46.2	173.4	-60.4	-171.6	-81.8	0	0	111.1	H342 S353 A355 F481 E482 V483 A487 D488 I489	H342-Q485 VanDerWaalsContact CA-NE2 3.32Å; H342-Q485 VanDerWaalsContact CB-NE2 3.25Å; H342-Q485 PolarHBondContact CE1-O 3.08Å; H342-Q485 PolarHBondContact O-NE2 3.02Å; S353-Q485 PolarHBondContact OG-NE2 3.32Å; S353-Q485 VanDerWaalsContact OG-NE2 3.08Å; A355-Q485 HydrophobicContact CB-CG 4.36Å; F481-Q485 HydrophobicContact CD1-CG 3.89Å; F481-Q485 VanDerWaalsContact CE1-CD 3.47Å; F481-Q485 HydrophobicContact CE1-CG 3.54Å; F481-Q485 HydrophobicContact CZ-CG 4.36Å; F481-Q485 PolarHBondContact O-N 3.12Å; E482-Q485 PolarHBondContact O-N 3.39Å; V483-Q485 VanDerWaalsContact C-N 3.34Å; Q485-A487 VanDerWaalsContact C-N 3.28Å; Q485-A487 PolarHBondContact O-N 3.47Å; Q485-D488 WeakPolarHBondContact O-CB 3.43Å; Q485-D488 PolarHBondContact O-N 2.95Å; Q485-D488 VanDerWaalsContact O-N 3.12Å; Q485-I489 WeakPolarHBondContact O-CG1 3.39Å; Q485-I489 PolarHBondContact O-N 3.21Å; Q485-I489 VanDerWaalsContact O-N 3.15Å
486	A	96.7	Very high	88.7	Confident	10 Å²	10	28.1 Å²	28.1	8%	0.083	15%	0.153	C	C	.	.	H	α-helix	trans	-65.3	-30.7	177.9	0	0	0	0	0	112.8	E482 V483 I489 Y490 W602 R605	E482-A486 WeakPolarHBondContact O-CB 3.42Å; E482-A486 PolarHBondContact O-N 3.03Å; V483-A486 PolarHBondContact O-N 3.3Å; A486-I489 WeakPolarHBondContact O-CB 3.37Å; A486-I489 PolarHBondContact O-N 2.72Å; A486-Y490 PolarHBondContact O-N 3.25Å; A486-Y490 VanDerWaalsContact O-N 3.15Å; A486-W602 HydrophobicContact CB-CB 3.93Å; A486-W602 HydrophobicContact CB-CD2 4.47Å; A486-W602 HydrophobicContact CB-CE3 3.8Å; A486-R605 PolarHBondContact O-NH1 3.46Å
487	A	96.2	Very high	91.5	Very high	6 Å²	6	23.9 Å²	23.9	5%	0.05	12%	0.122	C	C	.	.	H	α-helix	trans	-67.8	-36.9	171.6	0	0	0	0	0	112.3	A442 L445 V483 Y484 Q485 I489 Y490 A491	A442-A487 HydrophobicContact CB-CB 3.83Å; L445-A487 HydrophobicContact CD1-CB 3.52Å; L445-A487 HydrophobicContact CD2-CB 4.44Å; L445-A487 HydrophobicContact CG-CB 3.86Å; V483-A487 WeakPolarHBondContact O-CB 3.39Å; V483-A487 PolarHBondContact O-N 3.48Å; Y484-A487 PolarHBondContact O-N 3.34Å; Q485-A487 VanDerWaalsContact C-N 3.28Å; Q485-A487 PolarHBondContact O-N 3.47Å; A487-I489 VanDerWaalsContact C-N 3.29Å; A487-I489 PolarHBondContact O-N 2.96Å; A487-Y490 WeakPolarHBondContact O-CB 3.01Å; A487-Y490 PolarHBondContact O-N 3.14Å; A487-A491 PolarHBondContact O-N 3.19Å
488	D	98.2	Very high	94	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.011	10%	0.099	C	C	.	.	H	α-helix	trans	-63.5	-36	171.7	-66.7	-29.3	0	0	0	112	L338 H342 A355 H356 R357 Y484 Q485 Y490 A491 M492	L338-D488 HydrophobicContact CD1-CB 3.99Å; L338-D488 HydrophobicContact CD2-CB 4.12Å; H342-D488 IonicContact CD2-OD2 2.74Å; H342-D488 IonicContact CE1-OD2 2.69Å; H342-D488 IonicContact NE2-OD2 3.31Å; H342-D488 PolarHBondContact NE2-OD2 2.97Å; A355-D488 WeakPolarHBondContact CA-OD2 3.36Å; H356-D488 PolarHBondContact N-OD1 2.93Å; H356-D488 PolarHBondContact N-OD2 3.48Å; R357-D488 WeakPolarHBondContact CA-OD1 3.44Å; R357-D488 PolarHBondContact N-OD1 3.43Å; Y484-D488 PolarHBondContact O-N 3.21Å; Y484-D488 VanDerWaalsContact O-N 3.07Å; Q485-D488 WeakPolarHBondContact O-CB 3.43Å; Q485-D488 PolarHBondContact O-N 2.95Å; Q485-D488 VanDerWaalsContact O-N 3.12Å; D488-Y490 VanDerWaalsContact C-N 3.33Å; D488-A491 PolarHBondContact O-N 2.98Å; D488-M492 WeakPolarHBondContact O-CB 3.42Å; D488-M492 PolarHBondContact O-N 3.43Å
489	I	98.6	Very high	95.6	Very high	4 Å²	4	13 Å²	13	2%	0.021	7%	0.071	C	C	.	.	H	α-helix	trans	-62.9	-42.7	175.9	-57.9	-56.5	0	0	0	110.7	L338 Q485 A486 A487 M492 A493 C597 R605 L606 A608	L338-I489 HydrophobicContact CD2-CD1 3.97Å; Q485-I489 WeakPolarHBondContact O-CG1 3.39Å; Q485-I489 PolarHBondContact O-N 3.21Å; Q485-I489 VanDerWaalsContact O-N 3.15Å; A486-I489 WeakPolarHBondContact O-CB 3.37Å; A486-I489 PolarHBondContact O-N 2.72Å; A487-I489 VanDerWaalsContact C-N 3.29Å; A487-I489 PolarHBondContact O-N 2.96Å; I489-M492 HydrophobicContact CD1-CE 3.91Å; I489-M492 HydrophobicContact CG2-CE 4.43Å; I489-M492 WeakPolarHBondContact O-CB 3.32Å; I489-M492 PolarHBondContact O-N 3.45Å; I489-A493 PolarHBondContact O-N 2.81Å; I489-C597 HydrophobicContact CG2-CB 3.7Å; I489-R605 HydrophobicContact CG2-CB 4.24Å; I489-L606 WeakPolarHBondContact CG1-O 3.4Å; I489-L606 VanDerWaalsContact CG2-O 3.28Å; I489-L606 WeakPolarHBondContact CG2-O 3.26Å; I489-A608 HydrophobicContact CD1-CB 3.69Å
490	Y	98.5	Very high	96.4	Very high	1 Å²	1	11 Å²	11	0%	0.004	6%	0.062	C	C	.	.	H	α-helix	trans	-60.2	-48	174.5	-178.7	-84.1	0	0	0	111.4	A442 A486 A487 D488 M492 A493 L494 V535 W598	A442-Y490 HydrophobicContact CB-CD1 3.89Å; A442-Y490 HydrophobicContact CB-CD2 4.32Å; A442-Y490 HydrophobicContact CB-CG 3.76Å; A486-Y490 PolarHBondContact O-N 3.25Å; A486-Y490 VanDerWaalsContact O-N 3.15Å; A487-Y490 WeakPolarHBondContact O-CB 3.01Å; A487-Y490 PolarHBondContact O-N 3.14Å; D488-Y490 VanDerWaalsContact C-N 3.33Å; Y490-M492 VanDerWaalsContact C-N 3.33Å; Y490-M492 PolarHBondContact O-N 3.29Å; Y490-A493 VanDerWaalsContact O-CB 3.3Å; Y490-A493 WeakPolarHBondContact O-CB 3.32Å; Y490-A493 PolarHBondContact O-N 3.16Å; Y490-A493 VanDerWaalsContact O-N 3.13Å; Y490-L494 HydrophobicContact CD1-CD1 4.03Å; Y490-L494 HydrophobicContact CD1-CG 4.42Å; Y490-L494 HydrophobicContact CE1-CD1 3.57Å; Y490-L494 HydrophobicContact CE1-CG 4.11Å; Y490-L494 PolarHBondContact O-N 2.86Å; Y490-L494 VanDerWaalsContact O-N 3.17Å; Y490-V535 WeakPolarHBondContact OH-CG1 3.36Å; Y490-W598 HydrophobicContact CD2-CB 3.69Å; Y490-W598 HydrophobicContact CE2-CB 3.82Å; Y490-W598 HydrophobicContact CG-CB 4.46Å
491	A	98.5	Very high	96.8	Very high	6 Å²	6	8.8 Å²	8.8	5%	0.05	5%	0.045	C	C	.	.	H	α-helix	trans	-62.3	-39.4	177.9	0	0	0	0	0	112.2	L359 A487 D488 A493 L494 V495	L359-A491 HydrophobicContact CB-CB 4.05Å; L359-A491 WeakPolarHBondContact O-CB 3.4Å; A487-A491 PolarHBondContact O-N 3.19Å; D488-A491 PolarHBondContact O-N 2.98Å; A491-A493 VanDerWaalsContact C-N 3.33Å; A491-A493 PolarHBondContact O-N 3.12Å; A491-L494 WeakPolarHBondContact O-CB 3.47Å; A491-L494 PolarHBondContact O-N 3.09Å; A491-V495 PolarHBondContact O-N 2.82Å; A491-V495 VanDerWaalsContact O-N 3.13Å
492	M	98.7	Very high	97.2	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-61.2	-40.5	173.4	-175.7	175.6	57.2	0	0	111.6	I334 A335 L338 L359 D488 I489 Y490 L494 V495 F496 V611	I334-M492 HydrophobicContact CG2-CG 4.1Å; I334-M492 HydrophobicContact CG2-SD 4.27Å; A335-M492 HydrophobicContact CB-SD 4.13Å; L338-M492 HydrophobicContact CB-SD 4.39Å; L338-M492 HydrophobicContact CD2-CB 4.1Å; L338-M492 HydrophobicContact CD2-CE 3.93Å; L338-M492 HydrophobicContact CD2-CG 4.41Å; L338-M492 HydrophobicContact CD2-SD 3.64Å; L359-M492 HydrophobicContact CD2-CB 3.62Å; L359-M492 HydrophobicContact CD2-CG 4.29Å; D488-M492 WeakPolarHBondContact O-CB 3.42Å; D488-M492 PolarHBondContact O-N 3.43Å; I489-M492 HydrophobicContact CD1-CE 3.91Å; I489-M492 HydrophobicContact CG2-CE 4.43Å; I489-M492 WeakPolarHBondContact O-CB 3.32Å; I489-M492 PolarHBondContact O-N 3.45Å; Y490-M492 VanDerWaalsContact C-N 3.33Å; Y490-M492 PolarHBondContact O-N 3.29Å; M492-L494 VanDerWaalsContact C-N 3.3Å; M492-L494 PolarHBondContact O-N 2.87Å; M492-V495 WeakPolarHBondContact O-CB 3.43Å; M492-V495 PolarHBondContact O-N 2.78Å; M492-F496 HydrophobicContact CE-CE2 4.43Å; M492-F496 HydrophobicContact CG-CD1 4.19Å; M492-F496 HydrophobicContact CG-CD2 4.45Å; M492-F496 HydrophobicContact CG-CE1 3.69Å; M492-F496 HydrophobicContact CG-CE2 3.98Å; M492-F496 HydrophobicContact CG-CZ 3.58Å; M492-F496 WeakPolarHBondContact O-CD1 3.19Å; M492-F496 WeakPolarHBondContact O-CG 3.1Å; M492-F496 PolarHBondContact O-N 3.11Å; M492-F496 HydrophobicContact SD-CE1 4.28Å; M492-F496 HydrophobicContact SD-CE2 4.16Å; M492-F496 HydrophobicContact SD-CZ 3.69Å; M492-V611 HydrophobicContact CE-CB 4.07Å; M492-V611 HydrophobicContact CE-CG1 3.82Å; M492-V611 HydrophobicContact CE-CG2 3.93Å
493	A	98.7	Very high	97.5	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-61.4	-38.9	176.7	0	0	0	0	0	112.2	I489 Y490 A491 F496 W497 I594 C597 W598	I489-A493 PolarHBondContact O-N 2.81Å; Y490-A493 VanDerWaalsContact O-CB 3.3Å; Y490-A493 WeakPolarHBondContact O-CB 3.32Å; Y490-A493 PolarHBondContact O-N 3.16Å; Y490-A493 VanDerWaalsContact O-N 3.13Å; A491-A493 VanDerWaalsContact C-N 3.33Å; A491-A493 PolarHBondContact O-N 3.12Å; A493-F496 WeakPolarHBondContact O-CB 3.45Å; A493-F496 PolarHBondContact O-N 3.31Å; A493-W497 PolarHBondContact O-N 2.85Å; A493-I594 HydrophobicContact CB-CG2 4.35Å; A493-C597 HydrophobicContact CB-CB 3.55Å; A493-W598 HydrophobicContact CB-CB 3.9Å; A493-W598 HydrophobicContact CB-CD2 4.26Å; A493-W598 HydrophobicContact CB-CE3 3.89Å; A493-W598 HydrophobicContact CB-CG 4.3Å
494	L	98.6	Very high	97.7	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-65.4	-39.8	174.5	-64.1	176.6	0	0	0	111.9	Y440 Y490 A491 M492 F496 W497 E498 P517 F518 P575 W598	Y440-L494 HydrophobicContact CD1-CB 3.86Å; Y440-L494 HydrophobicContact CD1-CD1 3.99Å; Y440-L494 HydrophobicContact CE1-CB 4.09Å; Y440-L494 HydrophobicContact CG-CD1 4.36Å; Y490-L494 HydrophobicContact CD1-CD1 4.03Å; Y490-L494 HydrophobicContact CD1-CG 4.42Å; Y490-L494 HydrophobicContact CE1-CD1 3.57Å; Y490-L494 HydrophobicContact CE1-CG 4.11Å; Y490-L494 PolarHBondContact O-N 2.86Å; Y490-L494 VanDerWaalsContact O-N 3.17Å; A491-L494 WeakPolarHBondContact O-CB 3.47Å; A491-L494 PolarHBondContact O-N 3.09Å; M492-L494 VanDerWaalsContact C-N 3.3Å; M492-L494 PolarHBondContact O-N 2.87Å; L494-F496 VanDerWaalsContact C-N 3.31Å; L494-F496 PolarHBondContact O-N 2.93Å; L494-W497 WeakPolarHBondContact O-CB 3.38Å; L494-W497 PolarHBondContact O-N 2.72Å; L494-E498 PolarHBondContact O-N 3.46Å; L494-P517 HydrophobicContact CB-CB 4.46Å; L494-P517 HydrophobicContact CB-CG 3.99Å; L494-P517 HydrophobicContact CD2-CB 4.13Å; L494-F518 HydrophobicContact CD1-CE2 4.24Å; L494-F518 HydrophobicContact CD2-CE2 3.98Å; L494-F518 HydrophobicContact CD2-CZ 4.22Å; L494-P575 HydrophobicContact CD2-CG 3.7Å; L494-W598 HydrophobicContact CD2-CE3 3.92Å; L494-W598 HydrophobicContact CD2-CZ3 4.03Å
495	V	98.7	Very high	97.5	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-63.8	-38.4	172.3	176.6	0	0	0	0	111.3	L313 I334 Y440 A491 M492 W497 E498 L499	L313-V495 HydrophobicContact CD2-CG1 3.63Å; I334-V495 HydrophobicContact CD1-CG1 4.11Å; Y440-V495 HydrophobicContact CE1-CG2 4.13Å; A491-V495 PolarHBondContact O-N 2.82Å; A491-V495 VanDerWaalsContact O-N 3.13Å; M492-V495 WeakPolarHBondContact O-CB 3.43Å; M492-V495 PolarHBondContact O-N 2.78Å; V495-W497 VanDerWaalsContact C-N 3.32Å; V495-E498 WeakPolarHBondContact O-CB 3.39Å; V495-E498 PolarHBondContact O-N 3.44Å; V495-L499 PolarHBondContact O-N 3.49Å
496	F	98.7	Very high	97.1	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-67.2	-34.7	175.7	-73.7	2.5	0	0	0	112.5	A331 I334 A335 M492 A493 L494 L499 A500 Y590 I594 V611 L615	A331-F496 HydrophobicContact CB-CD1 4.08Å; A331-F496 HydrophobicContact CB-CE1 3.78Å; A331-F496 HydrophobicContact CB-CE2 4.48Å; A331-F496 HydrophobicContact CB-CZ 3.99Å; A331-F496 WeakPolarHBondContact O-CZ 3.5Å; I334-F496 HydrophobicContact CB-CE1 4.06Å; I334-F496 HydrophobicContact CD1-CE1 4.21Å; I334-F496 HydrophobicContact CG2-CE1 4.06Å; A335-F496 HydrophobicContact CB-CZ 4.23Å; M492-F496 HydrophobicContact CE-CE2 4.43Å; M492-F496 HydrophobicContact CG-CD1 4.19Å; M492-F496 HydrophobicContact CG-CD2 4.45Å; M492-F496 HydrophobicContact CG-CE1 3.69Å; M492-F496 HydrophobicContact CG-CE2 3.98Å; M492-F496 HydrophobicContact CG-CZ 3.58Å; M492-F496 WeakPolarHBondContact O-CD1 3.19Å; M492-F496 WeakPolarHBondContact O-CG 3.1Å; M492-F496 PolarHBondContact O-N 3.11Å; M492-F496 HydrophobicContact SD-CE1 4.28Å; M492-F496 HydrophobicContact SD-CE2 4.16Å; M492-F496 HydrophobicContact SD-CZ 3.69Å; A493-F496 WeakPolarHBondContact O-CB 3.45Å; A493-F496 PolarHBondContact O-N 3.31Å; L494-F496 VanDerWaalsContact C-N 3.31Å; L494-F496 PolarHBondContact O-N 2.93Å; F496-L499 HydrophobicContact CD1-CD1 4.21Å; F496-L499 WeakPolarHBondContact O-CB 3.41Å; F496-L499 PolarHBondContact O-N 3.41Å; F496-A500 WeakPolarHBondContact O-CB 3.24Å; F496-A500 PolarHBondContact O-N 2.69Å; F496-Y590 VanDerWaalsContact CA-OH 3.31Å; F496-Y590 WeakPolarHBondContact CA-OH 3.01Å; F496-Y590 HydrophobicContact CB-CE2 4.19Å; F496-Y590 VanDerWaalsContact CB-OH 3.22Å; F496-Y590 WeakPolarHBondContact CB-OH 3.48Å; F496-Y590 AromaticContact CD2-CE2 3.99Å; F496-Y590 HydrophobicContact CD2-CE2 3.99Å; F496-Y590 HydrophobicContact CG-CE2 4.14Å; F496-Y590 WeakPolarHBondContact CG-OH 3.45Å; F496-Y590 PolarHBondContact O-OH 3.03Å; F496-I594 HydrophobicContact CB-CD1 3.95Å; F496-I594 HydrophobicContact CB-CG1 3.72Å; F496-V611 HydrophobicContact CE2-CG1 3.68Å; F496-V611 HydrophobicContact CZ-CG1 4.31Å; F496-L615 HydrophobicContact CE2-CD1 3.7Å; F496-L615 HydrophobicContact CZ-CD1 3.76Å
497	W	98.5	Very high	96.5	Very high	6 Å²	6	10.9 Å²	10.9	2%	0.023	7%	0.065	C	C	.	.	H	α-helix	trans	-63.7	-43	171.8	-178.6	89.5	0	0	0	111.7	A493 L494 V495 L499 A500 R501 Q515 P517 P575 R576 Y578 W581 W598	A493-W497 PolarHBondContact O-N 2.85Å; L494-W497 WeakPolarHBondContact O-CB 3.38Å; L494-W497 PolarHBondContact O-N 2.72Å; V495-W497 VanDerWaalsContact C-N 3.32Å; W497-L499 VanDerWaalsContact C-N 3.31Å; W497-L499 PolarHBondContact O-N 3.42Å; W497-A500 PolarHBondContact O-N 2.86Å; W497-R501 HydrophobicContact CD2-CG 4.42Å; W497-R501 HydrophobicContact CE3-CG 4.49Å; W497-R501 VanDerWaalsContact CH2-CD 3.42Å; W497-R501 HydrophobicContact CH2-CG 4.44Å; W497-R501 HydrophobicContact CZ2-CG 4.31Å; W497-R501 VanDerWaalsContact CZ3-CD 3.48Å; W497-R501 HydrophobicContact CZ3-CG 4.49Å; W497-R501 WeakPolarHBondContact O-CG 3.47Å; W497-R501 PolarHBondContact O-N 3.06Å; W497-R501 VanDerWaalsContact O-N 3.17Å; W497-Q515 HydrophobicContact CH2-CB 4.46Å; W497-P517 HydrophobicContact CE3-CG 4.45Å; W497-P575 HydrophobicContact CD2-CB 3.68Å; W497-P575 HydrophobicContact CD2-CG 4.42Å; W497-P575 HydrophobicContact CE3-CB 4.29Å; W497-P575 HydrophobicContact CG-CB 4.02Å; W497-P575 HydrophobicContact CH2-CB 4.22Å; W497-P575 HydrophobicContact CZ2-CB 3.64Å; W497-R576 PolarHBondContact NE1-O 3.41Å; W497-Y578 HydrophobicContact CZ2-CE2 4.32Å; W497-W581 AromaticContact CD1-CH2 3.4Å; W497-W581 AromaticContact CD1-CZ3 3.61Å; W497-W581 HydrophobicContact CG-CH2 4.05Å; W497-W581 HydrophobicContact CG-CZ3 4.5Å; W497-W581 AromaticContact NE1-CH2 3.55Å; W497-W581 AromaticContact NE1-CZ3 3.99Å; W497-W598 HydrophobicContact CB-CH2 4.11Å; W497-W598 HydrophobicContact CB-CZ3 3.75Å; W497-W598 AromaticContact CD1-CH2 3.52Å; W497-W598 HydrophobicContact CG-CH2 4Å; W497-W598 HydrophobicContact CG-CZ3 4.02Å
498	E	98.4	Very high	95.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-57.5	-44.1	172.1	-67.1	175.4	80.6	0	0	111.4	I317 S361 Y440 L494 V495 C502 Y514 P517	I317-E498 HydrophobicContact CD1-CB 4.09Å; S361-E498 WeakPolarHBondContact CB-OE1 3.37Å; S361-E498 PolarHBondContact OG-OE1 3.41Å; S361-E498 PolarHBondContact OG-OE2 2.92Å; Y440-E498 VanDerWaalsContact CE1-OE2 3.26Å; Y440-E498 WeakPolarHBondContact CE1-OE2 3.24Å; Y440-E498 VanDerWaalsContact OH-CD 3.27Å; Y440-E498 PolarHBondContact OH-OE1 3.41Å; Y440-E498 PolarHBondContact OH-OE2 3.19Å; L494-E498 PolarHBondContact O-N 3.46Å; V495-E498 WeakPolarHBondContact O-CB 3.39Å; V495-E498 PolarHBondContact O-N 3.44Å; E498-C502 PolarHBondContact O-SG 3.07Å; E498-C502 VanDerWaalsContact O-SG 3.33Å; E498-Y514 HydrophobicContact CB-CE2 4.17Å; E498-Y514 HydrophobicContact CG-CE2 4.21Å; E498-Y514 VanDerWaalsContact OE1-CE2 3.24Å; E498-Y514 WeakPolarHBondContact OE1-CE2 3.43Å; E498-Y514 PolarHBondContact OE1-OH 3.21Å; E498-P517 HydrophobicContact CG-CG 4.04Å
499	L	98.2	Very high	95.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62	-47.7	175.3	-82.2	172.3	0	0	0	112.5	L313 I317 L322 L330 A331 I334 V495 F496 W497 R501 C502 T503	L313-L499 HydrophobicContact CD1-CD2 3.81Å; L313-L499 HydrophobicContact CD2-CD1 4.23Å; L313-L499 HydrophobicContact CD2-CD2 4.2Å; L313-L499 HydrophobicContact CD2-CG 4.1Å; L313-L499 HydrophobicContact CG-CD2 4.46Å; I317-L499 HydrophobicContact CG2-CD2 4.24Å; L322-L499 HydrophobicContact CD1-CD2 3.96Å; L330-L499 HydrophobicContact CB-CD1 4.25Å; L330-L499 HydrophobicContact CB-CD2 4.23Å; L330-L499 HydrophobicContact CD1-CD2 3.99Å; A331-L499 HydrophobicContact CB-CD1 4.17Å; I334-L499 HydrophobicContact CD1-CD1 4.02Å; V495-L499 PolarHBondContact O-N 3.49Å; F496-L499 HydrophobicContact CD1-CD1 4.21Å; F496-L499 WeakPolarHBondContact O-CB 3.41Å; F496-L499 PolarHBondContact O-N 3.41Å; W497-L499 VanDerWaalsContact C-N 3.31Å; W497-L499 PolarHBondContact O-N 3.42Å; L499-R501 VanDerWaalsContact C-N 3.29Å; L499-R501 PolarHBondContact O-N 2.95Å; L499-C502 CarbonylContact O-C 3.52Å; L499-C502 PolarHBondContact O-N 3.48Å; L499-T503 WeakPolarHBondContact O-CB 3.39Å; L499-T503 PolarHBondContact O-N 3.42Å; L499-T503 PolarHBondContact O-OG1 3.41Å
500	A	97.8	Very high	95.3	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-59.8	-39.6	-176.6	0	0	0	0	0	112	F496 W497 C502 T503 R580 W581 Y590 I594	F496-A500 WeakPolarHBondContact O-CB 3.24Å; F496-A500 PolarHBondContact O-N 2.69Å; W497-A500 PolarHBondContact O-N 2.86Å; A500-C502 PolarHBondContact O-N 3.19Å; A500-T503 PolarHBondContact O-N 3.04Å; A500-T503 VanDerWaalsContact O-N 3.13Å; A500-R580 PolarHBondContact O-NH2 2.88Å; A500-W581 HydrophobicContact CB-CD2 4.22Å; A500-W581 HydrophobicContact CB-CE3 4.05Å; A500-W581 HydrophobicContact CB-CH2 3.43Å; A500-W581 VanDerWaalsContact CB-CH2 3.43Å; A500-W581 HydrophobicContact CB-CZ2 3.63Å; A500-W581 HydrophobicContact CB-CZ3 3.66Å; A500-Y590 HydrophobicContact CB-CD1 4.01Å; A500-Y590 HydrophobicContact CB-CE1 3.7Å; A500-I594 HydrophobicContact CB-CD1 4.1Å
501	R	97.5	Very high	95.1	Very high	5 Å²	5	27.9 Å²	27.9	2%	0.019	15%	0.148	C	C	.	.	H	α-helix	trans	-60.1	-31.2	174.2	-72.1	-175	68.2	86.1	8.4	114.2	W497 L499 V511 E512 G513 Q515 Y578 W581	W497-R501 HydrophobicContact CD2-CG 4.42Å; W497-R501 HydrophobicContact CE3-CG 4.49Å; W497-R501 VanDerWaalsContact CH2-CD 3.42Å; W497-R501 HydrophobicContact CH2-CG 4.44Å; W497-R501 HydrophobicContact CZ2-CG 4.31Å; W497-R501 VanDerWaalsContact CZ3-CD 3.48Å; W497-R501 HydrophobicContact CZ3-CG 4.49Å; W497-R501 WeakPolarHBondContact O-CG 3.47Å; W497-R501 PolarHBondContact O-N 3.06Å; W497-R501 VanDerWaalsContact O-N 3.17Å; L499-R501 VanDerWaalsContact C-N 3.29Å; L499-R501 PolarHBondContact O-N 2.95Å; R501-V511 WeakPolarHBondContact O-CB 3.4Å; R501-E512 PolarHBondContact NH2-O 3.33Å; R501-E512 VanDerWaalsContact NH2-O 3.16Å; R501-E512 PolarHBondContact O-N 2.74Å; R501-G513 PolarHBondContact NE-O 3.42Å; R501-G513 PolarHBondContact NH2-O 2.97Å; R501-G513 PolarHBondContact O-N 3.28Å; R501-Q515 VanDerWaalsContact NH2-CD 3.27Å; R501-Y578 PolarHBondContact NH1-OH 3.41Å; R501-W581 HydrophobicContact CB-CZ2 4.23Å; R501-W581 HydrophobicContact CG-CH2 4.02Å; R501-W581 HydrophobicContact CG-CZ2 3.59Å
502	C	97.7	Very high	95	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.014	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	1.8	-178.4	-52.5	0	0	0	0	111.7	I317 S321 L322 E498 L499 A500	I317-C502 HydrophobicContact CB-CB 4.17Å; S321-C502 CarbonylContact C-O 3.33Å; S321-C502 WeakPolarHBondContact CA-O 3.24Å; L322-C502 PolarHBondContact N-O 3.36Å; E498-C502 PolarHBondContact O-SG 3.07Å; E498-C502 VanDerWaalsContact O-SG 3.33Å; L499-C502 CarbonylContact O-C 3.52Å; L499-C502 PolarHBondContact O-N 3.48Å; A500-C502 PolarHBondContact O-N 3.19Å
503	T	97.6	Very high	94.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-105.6	126.3	-175.8	-58.8	0	0	0	0	111	L322 I324 L499 A500 R580 L587	L322-T503 WeakPolarHBondContact O-CA 3.44Å; I324-T503 HydrophobicContact CB-CG2 4.37Å; I324-T503 HydrophobicContact CD1-CG2 3.79Å; L499-T503 WeakPolarHBondContact O-CB 3.39Å; L499-T503 PolarHBondContact O-N 3.42Å; L499-T503 PolarHBondContact O-OG1 3.41Å; A500-T503 PolarHBondContact O-N 3.04Å; A500-T503 VanDerWaalsContact O-N 3.13Å; T503-R580 PolarHBondContact O-NH1 2.56Å; T503-R580 PolarHBondContact O-NH2 2.94Å; T503-L587 HydrophobicContact CG2-CD2 4.21Å
504	Q	96	Very high	94.7	Very high	35 Å²	35	32.8 Å²	32.8	16%	0.164	18%	0.176	C	C	.	.			trans	-69.1	148.7	176.5	-64.3	177.2	-24.9	0	0	111	L322 I324 E509 V511	L322-Q504 WeakPolarHBondContact O-CB 3.26Å; L322-Q504 WeakPolarHBondContact O-CG 3.32Å; L322-Q504 PolarHBondContact O-N 2.8Å; I324-Q504 WeakPolarHBondContact CB-O 3.27Å; Q504-E509 WeakPolarHBondContact CG-O 3.07Å; Q504-E509 PolarHBondContact NE2-O 3.07Å; Q504-V511 HydrophobicContact CB-CG1 4.42Å; Q504-V511 HydrophobicContact CG-CG1 3.66Å
505	G	90.6	Very high	94.6	Very high	11 Å²	11	36.3 Å²	36.3	11%	0.113	19%	0.192	C	C	.	.			trans	-77.4	176.4	168.1	0	0	0	0	0	111.1	T507 S508 D584	G505-T507 VanDerWaalsContact C-N 3.35Å; G505-S508 PolarHBondContact N-O 3.09Å; G505-D584 VanDerWaalsContact CA-OD2 3.23Å; G505-D584 WeakPolarHBondContact CA-OD2 3.48Å
506	I	87.6	Confident	94.4	Very high	37 Å²	37	38.5 Å²	38.5	19%	0.19	20%	0.204	C	C	.	.	S	Bend	trans	-75.4	-29.9	170.6	-68.2	-162.8	0	0	0	111.3	I324 D584 Y586 V622	I324-I506 HydrophobicContact CG2-CD1 4.41Å; I324-I506 HydrophobicContact CG2-CG1 3.89Å; I506-D584 PolarHBondContact N-OD2 3.33Å; I506-Y586 HydrophobicContact CD1-CD2 3.27Å; I506-Y586 HydrophobicContact CD1-CE2 3.26Å; I506-Y586 HydrophobicContact CD1-CG 4.3Å; I506-Y586 HydrophobicContact CG1-CD2 3.84Å; I506-Y586 HydrophobicContact CG1-CE2 4.22Å; I506-V622 HydrophobicContact CD1-CG1 4.22Å; I506-V622 HydrophobicContact CD1-CG2 4.48Å
507	T	82.8	Confident	94.3	Very high	113 Å²	113	38.5 Å²	38.5	69%	0.693	20%	0.204	S	C	*	.	S	Bend	trans	-96.5	-16.7	-176.7	55.7	0	0	0	0	113.4	G505	G505-T507 VanDerWaalsContact C-N 3.35Å
508	S	84.8	Confident	94.1	Very high	47 Å²	47	38.2 Å²	38.2	33%	0.329	20%	0.203	S	C	.	.			trans	-142.1	129.4	-173.5	-178.2	0	0	0	0	112.1	G505 F510	G505-S508 PolarHBondContact N-O 3.09Å; S508-F510 VanDerWaalsContact C-N 3.29Å; S508-F510 PolarHBondContact OG-N 3.39Å
509	E	89.4	Confident	93.8	Very high	160 Å²	160	40.5 Å²	40.5	75%	0.748	22%	0.218	S	C	*	.			trans	-80.6	-9.7	174.8	-62.3	-171	166.4	0	0	113.2	Q504	Q504-E509 WeakPolarHBondContact CG-O 3.07Å; Q504-E509 PolarHBondContact NE2-O 3.07Å
510	F	93.3	Very high	93.4	Very high	132 Å²	132	46.9 Å²	46.9	58%	0.579	25%	0.252	S	S	*	.			trans	-70.3	140	179.2	174.3	-98.6	0	0	0	111.6	S508 R580	S508-F510 VanDerWaalsContact C-N 3.29Å; S508-F510 PolarHBondContact OG-N 3.39Å; F510-R580 PolarHBondContact O-NH1 3.23Å
511	V	95.9	Very high	93	Very high	31 Å²	31	50.5 Å²	50.5	19%	0.188	27%	0.27	C	S	.	.			trans	-135.4	149.6	178.3	-64.2	0	0	0	0	109.8	R501 Q504 G513	R501-V511 WeakPolarHBondContact O-CB 3.4Å; Q504-V511 HydrophobicContact CB-CG1 4.42Å; Q504-V511 HydrophobicContact CG-CG1 3.66Å; V511-G513 PolarHBondContact O-N 3.28Å
512	E	95.1	Very high	92.7	Very high	36 Å²	36	50.7 Å²	50.7	17%	0.168	27%	0.272	C	S	.	.			trans	-73.4	-12.7	178.8	-63.2	78.3	-165.9	0	0	113.4	R501 Y578 R580 W581	R501-E512 PolarHBondContact NH2-O 3.33Å; R501-E512 VanDerWaalsContact NH2-O 3.16Å; R501-E512 PolarHBondContact O-N 2.74Å; E512-Y578 HydrophobicContact CG-CD1 3.67Å; E512-Y578 HydrophobicContact CG-CD2 4.16Å; E512-Y578 HydrophobicContact CG-CE1 3.73Å; E512-Y578 HydrophobicContact CG-CE2 4.23Å; E512-Y578 HydrophobicContact CG-CG 3.9Å; E512-Y578 WeakPolarHBondContact OE1-CB 3.07Å; E512-R580 IonicContact OE1-CZ 3.12Å; E512-R580 IonicContact OE1-NE 2.72Å; E512-R580 PolarHBondContact OE1-NE 3.01Å; E512-R580 IonicContact OE1-NH2 2.84Å; E512-R580 IonicContact OE2-CZ 3.92Å; E512-R580 IonicContact OE2-NE 3.65Å; E512-R580 PolarHBondContact OE2-NE 3.17Å; E512-R580 IonicContact OE2-NH2 3.88Å; E512-R580 PolarHBondContact OE2-NH2 3.41Å; E512-W581 PolarHBondContact OE1-NE1 2.94Å; E512-W581 PolarHBondContact OE2-NE1 2.78Å
513	G	94.7	Very high	92.4	Very high	28 Å²	28	53.4 Å²	53.4	29%	0.289	29%	0.289	S	S	.	.			trans	78.5	161.9	-177.1	0	0	0	0	0	112.9	R501 V511 Q515	R501-G513 PolarHBondContact NE-O 3.42Å; R501-G513 PolarHBondContact NH2-O 2.97Å; R501-G513 PolarHBondContact O-N 3.28Å; V511-G513 PolarHBondContact O-N 3.28Å; G513-Q515 PolarHBondContact O-N 3.39Å
514	Y	97	Very high	91.9	Very high	44 Å²	44	58.8 Å²	58.8	17%	0.173	32%	0.324	C	S	.	.			trans	-64.5	133.6	-174.7	-179.7	-109.3	0	0	0	112.6	H314 I317 S318 E498 I516	H314-Y514 AromaticContact CD2-CZ 3.7Å; H314-Y514 PolarHBondContact CD2-OH 3.12Å; H314-Y514 AromaticContact NE2-CE1 3.95Å; I317-Y514 HydrophobicContact CD1-CD2 3.83Å; I317-Y514 HydrophobicContact CD1-CE2 3.9Å; I317-Y514 HydrophobicContact CG1-CD2 3.56Å; I317-Y514 HydrophobicContact CG1-CE2 3.89Å; I317-Y514 HydrophobicContact CG1-CG 4.41Å; S318-Y514 WeakPolarHBondContact OG-CD1 3.47Å; S318-Y514 WeakPolarHBondContact OG-CE1 3.4Å; E498-Y514 HydrophobicContact CB-CE2 4.17Å; E498-Y514 HydrophobicContact CG-CE2 4.21Å; E498-Y514 VanDerWaalsContact OE1-CE2 3.24Å; E498-Y514 WeakPolarHBondContact OE1-CE2 3.43Å; E498-Y514 PolarHBondContact OE1-OH 3.21Å; Y514-I516 HydrophobicContact CE1-CG2 4.18Å; Y514-I516 WeakPolarHBondContact OH-CG2 3.36Å
515	Q	95.9	Very high	91.6	Very high	74 Å²	74	63 Å²	63	35%	0.346	35%	0.348	S	S	.	.			trans	-145.1	144.5	168.2	-71	-174.9	-21.2	0	0	109.2	W497 R501 G513 C519	W497-Q515 HydrophobicContact CH2-CB 4.46Å; R501-Q515 VanDerWaalsContact NH2-CD 3.27Å; G513-Q515 PolarHBondContact O-N 3.39Å; Q515-C519 PolarHBondContact OE1-SG 2.85Å
516	I	94.8	Very high	91.7	Very high	46 Å²	46	62.6 Å²	62.6	24%	0.236	34%	0.343	C	S	.	.			trans	-70.2	146.6	169.1	59.7	-179.4	0	0	0	110	Y514 F518 C519	Y514-I516 HydrophobicContact CE1-CG2 4.18Å; Y514-I516 WeakPolarHBondContact OH-CG2 3.36Å; I516-F518 PolarHBondContact O-N 3.38Å; I516-C519 HydrophobicContact CG1-CB 3.69Å; I516-C519 VanDerWaalsContact O-CB 3.31Å; I516-C519 WeakPolarHBondContact O-CB 3.19Å; I516-C519 PolarHBondContact O-N 3.29Å
517	P	96.1	Very high	91.9	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	138.1	179	-25.3	33.7	0	0	0	112.1	R439 Y440 L494 W497 E498 C519 P575	R439-P517 WeakPolarHBondContact CD-O 3.35Å; R439-P517 HydrophobicContact CG-CB 4.46Å; R439-P517 WeakPolarHBondContact CG-O 3.22Å; R439-P517 PolarHBondContact NH1-O 2.96Å; Y440-P517 HydrophobicContact CE1-CG 3.96Å; L494-P517 HydrophobicContact CB-CB 4.46Å; L494-P517 HydrophobicContact CB-CG 3.99Å; L494-P517 HydrophobicContact CD2-CB 4.13Å; W497-P517 HydrophobicContact CE3-CG 4.45Å; E498-P517 HydrophobicContact CG-CG 4.04Å; P517-C519 VanDerWaalsContact C-N 3.26Å; P517-C519 PolarHBondContact O-N 3.02Å; P517-P575 HydrophobicContact CB-CG 4.35Å
518	F	94.8	Very high	92.2	Very high	1 Å²	1	61.6 Å²	61.6	0%	0.004	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	26.9	-179.5	-44.9	-78.5	0	0	0	114.6	R439 L494 I516 D520 M521 V522 M531 I534 V535 P575	R439-F518 HydrophobicContact CG-CD2 4.4Å; R439-F518 PolarHBondContact NH1-O 3.41Å; L494-F518 HydrophobicContact CD1-CE2 4.24Å; L494-F518 HydrophobicContact CD2-CE2 3.98Å; L494-F518 HydrophobicContact CD2-CZ 4.22Å; I516-F518 PolarHBondContact O-N 3.38Å; F518-D520 PolarHBondContact O-N 2.94Å; F518-M521 HydrophobicContact CB-CB 4.42Å; F518-M521 HydrophobicContact CD1-SD 3.99Å; F518-M521 PolarHBondContact O-N 3.28Å; F518-M521 VanDerWaalsContact O-N 3.17Å; F518-V522 HydrophobicContact CB-CG2 4.01Å; F518-V522 WeakPolarHBondContact O-CG2 3.41Å; F518-V522 PolarHBondContact O-N 3.41Å; F518-M531 HydrophobicContact CD2-CE 3.89Å; F518-M531 HydrophobicContact CE2-CE 4.02Å; F518-I534 HydrophobicContact CD1-CG2 4.27Å; F518-V535 HydrophobicContact CE1-CG2 4.27Å; F518-V535 HydrophobicContact CE2-CG2 4.37Å; F518-V535 HydrophobicContact CZ-CG2 3.92Å; F518-P575 HydrophobicContact CD1-CG 4.3Å; F518-P575 HydrophobicContact CE1-CG 3.92Å; F518-P575 HydrophobicContact CE2-CG 4.27Å; F518-P575 HydrophobicContact CZ-CG 3.91Å
519	C	92.5	Very high	92.4	Very high	48 Å²	48	61.8 Å²	61.8	32%	0.324	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-30	-178	63.9	0	0	0	0	114	Q515 I516 P517	Q515-C519 PolarHBondContact OE1-SG 2.85Å; I516-C519 HydrophobicContact CG1-CB 3.69Å; I516-C519 VanDerWaalsContact O-CB 3.31Å; I516-C519 WeakPolarHBondContact O-CB 3.19Å; I516-C519 PolarHBondContact O-N 3.29Å; P517-C519 VanDerWaalsContact C-N 3.26Å; P517-C519 PolarHBondContact O-N 3.02Å
520	D	89.9	Confident	92.4	Very high	134 Å²	134	57.6 Å²	57.6	72%	0.717	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-14	180	56.5	-30.7	0	0	0	113	F518	F518-D520 PolarHBondContact O-N 2.94Å
521	M	90.2	Very high	92.4	Very high	76 Å²	76	51.4 Å²	51.4	37%	0.374	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-30.8	-174.6	-48.6	-175.7	80.7	0	0	113.4	F518 I534 C573	F518-M521 HydrophobicContact CB-CB 4.42Å; F518-M521 HydrophobicContact CD1-SD 3.99Å; F518-M521 PolarHBondContact O-N 3.28Å; F518-M521 VanDerWaalsContact O-N 3.17Å; M521-I534 HydrophobicContact CB-CD1 3.86Å; M521-I534 HydrophobicContact CE-CG2 3.79Å; M521-I534 HydrophobicContact SD-CG2 3.93Å; M521-C573 HydrophobicContact CE-CB 3.81Å; M521-C573 HydrophobicContact SD-CB 4.32Å
522	V	90.9	Very high	92.1	Very high	9 Å²	9	52.4 Å²	52.4	6%	0.055	29%	0.289	C	S	.	.	S	Bend	trans	-134.5	151	-178.7	-61.2	0	0	0	0	113	F518 P526 Q530 M531 I534	F518-V522 HydrophobicContact CB-CG2 4.01Å; F518-V522 WeakPolarHBondContact O-CG2 3.41Å; F518-V522 PolarHBondContact O-N 3.41Å; V522-P526 HydrophobicContact CB-CB 4.03Å; V522-P526 HydrophobicContact CG1-CB 4.5Å; V522-P526 HydrophobicContact CG2-CB 4.07Å; V522-P526 HydrophobicContact CG2-CG 4.21Å; V522-Q530 HydrophobicContact CG1-CB 4.41Å; V522-M531 HydrophobicContact CG1-SD 4.22Å; V522-M531 HydrophobicContact CG2-SD 3.95Å; V522-I534 HydrophobicContact CB-CD1 4.5Å; V522-I534 HydrophobicContact CG1-CD1 3.11Å
523	P	91.5	Very high	91.7	Very high	59 Å²	59	53.1 Å²	53.1	38%	0.383	29%	0.294	S	S	.	.			trans	-61.6	162.4	175.1	28.4	-37.8	0	0	0	112	R439 D525 P526	R439-P523 PolarHBondContact NH2-O 3.02Å; P523-D525 VanDerWaalsContact C-N 3.32Å; P523-D525 PolarHBondContact O-N 3.31Å; P523-P526 WeakPolarHBondContact O-CD 3.22Å
524	P	87.3	Confident	91.4	Very high	114 Å²	114	52.3 Å²	52.3	74%	0.74	28%	0.283	S	S	*	.	S	Bend	trans	-50.3	-41.5	-176.6	-31.2	36.7	0	0	0	115.7	R439 P526	R439-P524 VanDerWaalsContact NH2-C 3.27Å; R439-P524 VanDerWaalsContact NH2-CA 3.33Å; R439-P524 PolarHBondContact NH2-O 2.83Å; P524-P526 WeakPolarHBondContact O-CD 3.32Å
525	D	88.7	Confident	91.1	Very high	122 Å²	122	50.2 Å²	50.2	65%	0.652	28%	0.275	S	S	*	.	S	Bend	trans	-114.1	90.1	170.9	-175.3	19.3	0	0	0	110	K438 P523	K438-D525 IonicContact NZ-OD1 2.78Å; K438-D525 PolarHBondContact NZ-OD1 3.15Å; P523-D525 VanDerWaalsContact C-N 3.32Å; P523-D525 PolarHBondContact O-N 3.31Å
526	P	92.7	Very high	90.7	Very high	3 Å²	3	47 Å²	47	2%	0.019	26%	0.26	C	S	.	.			trans	-73.1	163.2	-177.8	30.3	-34.2	0	0	0	111.8	K438 R439 V522 P523 P524 Q530 M531	K438-P526 HydrophobicContact CB-CG 4.43Å; K438-P526 VanDerWaalsContact CD-O 3.24Å; K438-P526 WeakPolarHBondContact CD-O 3.03Å; K438-P526 PolarHBondContact NZ-O 2.95Å; R439-P526 HydrophobicContact CB-CG 4.48Å; V522-P526 HydrophobicContact CB-CB 4.03Å; V522-P526 HydrophobicContact CG1-CB 4.5Å; V522-P526 HydrophobicContact CG2-CB 4.07Å; V522-P526 HydrophobicContact CG2-CG 4.21Å; P523-P526 WeakPolarHBondContact O-CD 3.22Å; P524-P526 WeakPolarHBondContact O-CD 3.32Å; P526-Q530 VanDerWaalsContact CA-OE1 3.3Å; P526-Q530 HydrophobicContact CB-CB 4.29Å; P526-M531 HydrophobicContact CB-CG 3.87Å; P526-M531 HydrophobicContact CB-SD 3.97Å; P526-M531 HydrophobicContact CG-CG 3.69Å; P526-M531 HydrophobicContact CG-SD 3.64Å
527	T	91.2	Very high	89.8	Confident	69 Å²	69	45.1 Å²	45.1	42%	0.423	25%	0.253	S	S	.	.			trans	-85.3	165	165.6	71.5	0	0	0	0	110.8	S529 Q530 M531	T527-S529 VanDerWaalsContact C-N 3.29Å; T527-S529 PolarHBondContact O-N 3.17Å; T527-Q530 PolarHBondContact O-N 3.21Å; T527-Q530 WeakPolarHBondContact OG1-CG 3.16Å; T527-Q530 PolarHBondContact OG1-N 3.09Å; T527-Q530 VanDerWaalsContact OG1-N 3.15Å; T527-M531 PolarHBondContact O-N 3.24Å; T527-M531 VanDerWaalsContact O-N 3.16Å
528	F	90.3	Very high	88	Confident	60 Å²	60	50.8 Å²	50.8	26%	0.263	28%	0.283	S	S	.	.	H	α-helix	trans	-58.8	-42	172.9	-70.9	-72.5	0	0	0	111.8	R434 K438 M441 L446 I449 M531 R532	R434-F528 HydrophobicContact CB-CZ 4.34Å; K438-F528 HydrophobicContact CD-CD1 4.18Å; K438-F528 HydrophobicContact CD-CD2 4.24Å; K438-F528 HydrophobicContact CD-CE1 4.19Å; K438-F528 HydrophobicContact CD-CE2 4.23Å; K438-F528 HydrophobicContact CD-CG 4.22Å; K438-F528 HydrophobicContact CD-CZ 4.22Å; K438-F528 HydrophobicContact CG-CD1 4.19Å; K438-F528 HydrophobicContact CG-CE1 3.92Å; K438-F528 HydrophobicContact CG-CZ 4.17Å; M441-F528 HydrophobicContact CE-CE1 4.03Å; M441-F528 HydrophobicContact SD-CD1 4.13Å; M441-F528 HydrophobicContact SD-CE1 3.55Å; M441-F528 VanDerWaalsContact SD-CE1 3.55Å; L446-F528 HydrophobicContact CD2-CD1 4.11Å; I449-F528 HydrophobicContact CD1-CD1 3.29Å; I449-F528 HydrophobicContact CD1-CE1 3.38Å; I449-F528 HydrophobicContact CD1-CG 4.02Å; I449-F528 HydrophobicContact CD1-CZ 4.19Å; F528-M531 PolarHBondContact O-N 3.1Å; F528-R532 WeakPolarHBondContact O-CB 3.33Å; F528-R532 PolarHBondContact O-N 2.91Å
529	S	87.9	Confident	85.5	Confident	52 Å²	52	55.1 Å²	55.1	36%	0.364	31%	0.313	S	S	.	.	H	α-helix	trans	-59.2	-49.5	176.2	-168.7	0	0	0	0	111.2	T527 M531 R532 D533	T527-S529 VanDerWaalsContact C-N 3.29Å; T527-S529 PolarHBondContact O-N 3.17Å; S529-M531 VanDerWaalsContact C-N 3.31Å; S529-M531 PolarHBondContact O-N 3.42Å; S529-R532 WeakPolarHBondContact O-CB 3.07Å; S529-R532 PolarHBondContact O-N 3.25Å; S529-R532 VanDerWaalsContact O-N 3.11Å; S529-R532 PolarHBondContact OG-NH2 2.78Å; S529-R532 VanDerWaalsContact OG-NH2 3.11Å; S529-D533 WeakPolarHBondContact O-CB 3.4Å; S529-D533 PolarHBondContact O-N 3.14Å; S529-D533 VanDerWaalsContact O-OD2 3.08Å; S529-D533 PolarHBondContact OG-OD2 2.89Å
530	Q	90.9	Very high	82.7	Confident	72 Å²	72	58.1 Å²	58.1	34%	0.336	33%	0.325	S	S	.	.	H	α-helix	trans	-58.1	-42.8	-179.6	-75.4	172.7	-30.1	0	0	112.4	V522 P526 T527 I534	V522-Q530 HydrophobicContact CG1-CB 4.41Å; P526-Q530 VanDerWaalsContact CA-OE1 3.3Å; P526-Q530 HydrophobicContact CB-CB 4.29Å; T527-Q530 PolarHBondContact O-N 3.21Å; T527-Q530 WeakPolarHBondContact OG1-CG 3.16Å; T527-Q530 PolarHBondContact OG1-N 3.09Å; T527-Q530 VanDerWaalsContact OG1-N 3.15Å; Q530-I534 PolarHBondContact O-N 3.03Å
531	M	92	Very high	79.9	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-67.2	-41.9	176.6	-72.2	-56.8	-53.8	0	0	112.1	K438 R439 L446 F518 V522 P526 T527 F528 S529 I534 V535	K438-M531 HydrophobicContact CB-CG 4.31Å; R439-M531 WeakPolarHBondContact O-CE 3.1Å; L446-M531 HydrophobicContact CD1-CB 3.96Å; L446-M531 HydrophobicContact CD2-CB 4.09Å; F518-M531 HydrophobicContact CD2-CE 3.89Å; F518-M531 HydrophobicContact CE2-CE 4.02Å; V522-M531 HydrophobicContact CG1-SD 4.22Å; V522-M531 HydrophobicContact CG2-SD 3.95Å; P526-M531 HydrophobicContact CB-CG 3.87Å; P526-M531 HydrophobicContact CB-SD 3.97Å; P526-M531 HydrophobicContact CG-CG 3.69Å; P526-M531 HydrophobicContact CG-SD 3.64Å; T527-M531 PolarHBondContact O-N 3.24Å; T527-M531 VanDerWaalsContact O-N 3.16Å; F528-M531 PolarHBondContact O-N 3.1Å; S529-M531 VanDerWaalsContact C-N 3.31Å; S529-M531 PolarHBondContact O-N 3.42Å; M531-I534 PolarHBondContact O-N 3.44Å; M531-V535 HydrophobicContact CE-CG2 3.82Å; M531-V535 VanDerWaalsContact O-CB 3.29Å; M531-V535 WeakPolarHBondContact O-CB 3.46Å; M531-V535 VanDerWaalsContact O-CG2 3.3Å; M531-V535 WeakPolarHBondContact O-CG2 3.45Å; M531-V535 PolarHBondContact O-N 2.88Å
532	R	88.9	Confident	77.1	Confident	53 Å²	53	59.8 Å²	59.8	20%	0.2	34%	0.339	C	S	.	.	H	α-helix	trans	-61.5	-49.5	177.9	-178.4	-163.7	64.4	-156.5	-5.5	111.3	L446 D450 F528 S529 I534 V535 C536 G537	L446-R532 HydrophobicContact CB-CB 4.35Å; D450-R532 IonicContact OD1-NH1 3.5Å; D450-R532 PolarHBondContact OD1-NH1 3.4Å; D450-R532 WeakPolarHBondContact OD2-CD 3.35Å; D450-R532 IonicContact OD2-CZ 3.32Å; D450-R532 IonicContact OD2-NE 3.58Å; D450-R532 IonicContact OD2-NH1 3.43Å; D450-R532 PolarHBondContact OD2-NH1 3.48Å; F528-R532 WeakPolarHBondContact O-CB 3.33Å; F528-R532 PolarHBondContact O-N 2.91Å; S529-R532 WeakPolarHBondContact O-CB 3.07Å; S529-R532 PolarHBondContact O-N 3.25Å; S529-R532 VanDerWaalsContact O-N 3.11Å; S529-R532 PolarHBondContact OG-NH2 2.78Å; S529-R532 VanDerWaalsContact OG-NH2 3.11Å; R532-I534 PolarHBondContact O-N 2.88Å; R532-I534 VanDerWaalsContact O-N 3.09Å; R532-V535 PolarHBondContact O-N 2.87Å; R532-C536 HydrophobicContact CG-CB 4.02Å; R532-C536 WeakPolarHBondContact O-CA 3.17Å; R532-C536 WeakPolarHBondContact O-CB 3.32Å; R532-C536 PolarHBondContact O-N 3.29Å; R532-G537 PolarHBondContact O-N 2.92Å
533	D	87.6	Confident	74.1	Confident	51 Å²	51	64.6 Å²	64.6	27%	0.273	37%	0.374	S	S	.	.	H	α-helix	trans	-60	-28.2	-174.8	-57.2	-20.1	0	0	0	111.3	S529 G537	S529-D533 WeakPolarHBondContact O-CB 3.4Å; S529-D533 PolarHBondContact O-N 3.14Å; S529-D533 VanDerWaalsContact O-OD2 3.08Å; S529-D533 PolarHBondContact OG-OD2 2.89Å; D533-G537 WeakPolarHBondContact O-CA 3.43Å
534	I	88.5	Confident	71.4	Confident	11 Å²	11	68.7 Å²	68.7	6%	0.056	39%	0.392	C	S	.	.	H	α-helix	trans	-88.9	-48.8	176.6	-71.2	161.4	0	0	0	112.2	F518 M521 V522 Q530 M531 R532 C573	F518-I534 HydrophobicContact CD1-CG2 4.27Å; M521-I534 HydrophobicContact CB-CD1 3.86Å; M521-I534 HydrophobicContact CE-CG2 3.79Å; M521-I534 HydrophobicContact SD-CG2 3.93Å; V522-I534 HydrophobicContact CB-CD1 4.5Å; V522-I534 HydrophobicContact CG1-CD1 3.11Å; Q530-I534 PolarHBondContact O-N 3.03Å; M531-I534 PolarHBondContact O-N 3.44Å; R532-I534 PolarHBondContact O-N 2.88Å; R532-I534 VanDerWaalsContact O-N 3.09Å; I534-C573 HydrophobicContact CG2-CB 3.69Å; I534-C573 VanDerWaalsContact O-CB 3.26Å; I534-C573 WeakPolarHBondContact O-CB 3.48Å; I534-C573 PolarHBondContact O-N 3.35Å
535	V	90.7	Very high	68.7	Low	0 Å²	0	70.4 Å²	70.4	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-81.5	-29.9	-170.8	178	0	0	0	0	112.8	P443 L446 Y490 F518 M531 R532 N572 R574	P443-V535 HydrophobicContact CB-CG1 4.02Å; P443-V535 HydrophobicContact CG-CG1 4.27Å; L446-V535 HydrophobicContact CD1-CB 4.2Å; L446-V535 HydrophobicContact CD1-CG1 4.48Å; Y490-V535 WeakPolarHBondContact OH-CG1 3.36Å; F518-V535 HydrophobicContact CE1-CG2 4.27Å; F518-V535 HydrophobicContact CE2-CG2 4.37Å; F518-V535 HydrophobicContact CZ-CG2 3.92Å; M531-V535 HydrophobicContact CE-CG2 3.82Å; M531-V535 VanDerWaalsContact O-CB 3.29Å; M531-V535 WeakPolarHBondContact O-CB 3.46Å; M531-V535 VanDerWaalsContact O-CG2 3.3Å; M531-V535 WeakPolarHBondContact O-CG2 3.45Å; M531-V535 PolarHBondContact O-N 2.88Å; R532-V535 PolarHBondContact O-N 2.87Å; V535-N572 WeakPolarHBondContact O-CA 3.5Å; V535-R574 PolarHBondContact O-NH1 3.28Å
536	C	86.6	Confident	65.6	Low	5 Å²	5	73.1 Å²	73.1	3%	0.034	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-16.8	179.9	-55.1	0	0	0	0	113.2	M447 R532 N572	M447-C536 HydrophobicContact CE-CB 3.79Å; R532-C536 HydrophobicContact CG-CB 4.02Å; R532-C536 WeakPolarHBondContact O-CA 3.17Å; R532-C536 WeakPolarHBondContact O-CB 3.32Å; R532-C536 PolarHBondContact O-N 3.29Å; C536-N572 WeakPolarHBondContact CA-OD1 3.37Å; C536-N572 PolarHBondContact O-OD1 2.85Å
537	G	76.1	Confident	62.6	Low	8 Å²	8	78.9 Å²	78.9	8%	0.082	44%	0.441	C	S	.	.			trans	67	174.2	-170.7	0	0	0	0	0	114.2	R532 D533 S539	R532-G537 PolarHBondContact O-N 2.92Å; D533-G537 WeakPolarHBondContact O-CA 3.43Å; G537-S539 PolarHBondContact O-N 3.29Å
538	N	58.8	Low	59.6	Low	118 Å²	118	82 Å²	82	63%	0.631	46%	0.455	S	S	*	.	S	Bend	trans	-71	85.6	-179.7	-76	-14	0	0	0	111.1
539	S	41.6	Very low	56.6	Low	93 Å²	93	87.8 Å²	87.8	65%	0.65	48%	0.483	S	S	*	.			trans	-96.8	7.8	172	-152.3	0	0	0	0	113.7	G537	G537-S539 PolarHBondContact O-N 3.29Å
540	L	35	Very low	53.7	Low	110 Å²	110	90 Å²	90	58%	0.576	50%	0.498	S	S	*	.			trans	-137.7	37	-172.3	-68.5	173.1	0	0	0	115.5	I542	L540-I542 PolarHBondContact O-N 3.11Å
541	T	30.5	Very low	50.7	Low	123 Å²	123	93.6 Å²	93.6	76%	0.755	52%	0.52	S	S	*	.			trans	-77.9	75.9	150.5	57.2	0	0	0	0	107.4	S543	T541-S543 PolarHBondContact O-N 2.7Å; T541-S543 VanDerWaalsContact O-N 3.11Å
542	I	30.5	Very low	47.7	Very low	123 Å²	123	105.3 Å²	105.3	63%	0.631	56%	0.564	S	S	*	*			trans	-57.7	115	151.8	-65	176.2	0	0	0	103.6	L540 D544	L540-I542 PolarHBondContact O-N 3.11Å; I542-D544 PolarHBondContact O-N 2.86Å
543	S	29.5	Very low	44.7	Very low	110 Å²	110	109.8 Å²	109.8	77%	0.769	59%	0.592	S	S	*	*			trans	-60.7	81.4	171.1	48.8	0	0	0	0	107.9	T541 D545	T541-S543 PolarHBondContact O-N 2.7Å; T541-S543 VanDerWaalsContact O-N 3.11Å; S543-D545 PolarHBondContact O-N 3.49Å
544	D	33.2	Very low	42	Very low	144 Å²	144	115.1 Å²	115.1	77%	0.77	62%	0.62	S	S	*	*			trans	-70.5	119	167.3	-83.1	-25.7	0	0	0	107.1	I542	I542-D544 PolarHBondContact O-N 2.86Å
545	D	31.2	Very low	39.2	Very low	150 Å²	150	119.2 Å²	119.2	80%	0.802	65%	0.65	S	S	*	*			trans	-38	132.4	179.9	-72.9	-53.1	0	0	0	113	S543 P547	S543-D545 PolarHBondContact O-N 3.49Å; D545-P547 WeakPolarHBondContact O-CD 3.34Å
546	Q	24.3	Very low	36.3	Very low	180 Å²	180	126.8 Å²	126.8	84%	0.841	69%	0.691	S	S	*	*			trans	-56.2	121.1	171.6	-68.9	-157.9	-39.4	0	0	111.1
547	P	29.5	Very low	33.5	Very low	123 Å²	123	134.1 Å²	134.1	80%	0.799	73%	0.728	S	S	*	*			trans	-97.5	112.3	153.9	10.9	12.2	0	0	0	107.3	D545 Q549	D545-P547 WeakPolarHBondContact O-CD 3.34Å; P547-Q549 PolarHBondContact O-N 3.01Å
548	N	27.4	Very low	31.3	Very low	134 Å²	134	140.8 Å²	140.8	72%	0.717	76%	0.762	S	S	*	*			trans	-37.4	132.5	162.1	-71.6	-48.6	0	0	0	112.7
549	Q	27.8	Very low	29.7	Very low	182 Å²	182	140.1 Å²	140.1	85%	0.85	77%	0.773	S	S	*	*			trans	161.1	97.7	135.9	-88	165.2	41.6	0	0	108.6	P547	P547-Q549 PolarHBondContact O-N 3.01Å
550	S	27.3	Very low	29.1	Very low	98 Å²	98	145.1 Å²	145.1	69%	0.685	78%	0.783	S	S	*	*				60.6	110.7	94.5	69.8	0	0	0	0	114.7
551	N	27	Very low	28.6	Very low	149 Å²	149	144.9 Å²	144.9	80%	0.797	79%	0.79	S	S	*	*			trans	50.4	110.6	146.6	-73.5	-16.6	0	0	0	118.8
552	R	28.8	Very low	28.5	Very low	247 Å²	247	144.8 Å²	144.8	93%	0.932	79%	0.792	S	S	*	*				-165.1	125.8	112.2	-107	166.6	-167.9	-173.1	4.1	112.8
553	N	27.4	Very low	28.3	Very low	147 Å²	147	147.9 Å²	147.9	79%	0.786	80%	0.801	S	S	*	*			trans	-49.6	134.7	167.8	-59.1	-31.9	0	0	0	111.5
554	N	30.7	Very low	28.3	Very low	162 Å²	162	150 Å²	150	87%	0.866	80%	0.802	S	S	*	*			trans	-154.5	114.1	139.7	-102.6	-17.9	0	0	0	110.6
555	S	28.3	Very low	28	Very low	98 Å²	98	148.2 Å²	148.2	69%	0.685	80%	0.801	S	S	*	*			trans	-57	124.9	165.8	46.3	0	0	0	0	110.8
556	N	30.6	Very low	28.3	Very low	158 Å²	158	145.1 Å²	145.1	85%	0.845	79%	0.789	S	S	*	*			trans	-143	99.9	150.2	-108.4	-20.3	0	0	0	109.3	N558	N556-N558 PolarHBondContact O-N 3.42Å
557	I	28.1	Very low	29	Very low	159 Å²	159	143.5 Å²	143.5	82%	0.815	79%	0.786	S	S	*	*			trans	-67.9	104.2	172	-63.6	165.7	0	0	0	106.4
558	N	29	Very low	29.5	Very low	149 Å²	149	145.1 Å²	145.1	80%	0.797	78%	0.777	S	S	*	*			trans	-132.1	110.1	160.5	-97.9	-27.6	0	0	0	108.3	N556 K560	N556-N558 PolarHBondContact O-N 3.42Å; N558-K560 PolarHBondContact O-N 3.04Å; N558-K560 VanDerWaalsContact O-N 3.11Å
559	A	26	Very low	30.3	Very low	104 Å²	104	145.5 Å²	145.5	86%	0.86	78%	0.779	S	S	*	*			trans	-51.4	110.3	179.1	0	0	0	0	0	110.9
560	K	28.7	Very low	31.4	Very low	197 Å²	197	142.9 Å²	142.9	86%	0.857	77%	0.771	S	S	*	*			trans	-105.3	122.7	159.3	-82.5	-178.6	177.4	173.4	0	107.6	N558	N558-K560 PolarHBondContact O-N 3.04Å; N558-K560 VanDerWaalsContact O-N 3.11Å
561	S	25.7	Very low	33.1	Very low	105 Å²	105	142.7 Å²	142.7	73%	0.734	77%	0.765	S	S	*	*			trans	-44.9	148.9	172.1	7.6	0	0	0	0	111.9	K563	S561-K563 PolarHBondContact O-N 3.18Å
562	P	28.2	Very low	35.4	Very low	121 Å²	121	138 Å²	138	79%	0.786	74%	0.74	S	S	*	*			trans	-68.6	106.6	-163.9	28.1	-32.7	0	0	0	109.8	I564	P562-I564 PolarHBondContact O-N 2.96Å; P562-I564 VanDerWaalsContact O-N 3.12Å
563	K	26.8	Very low	38	Very low	188 Å²	188	127.4 Å²	127.4	82%	0.817	70%	0.704	S	S	*	*			trans	-67.7	105.9	159.2	-74	-175.2	175.3	-172.5	0	105.9	S561 S565	S561-K563 PolarHBondContact O-N 3.18Å; K563-S565 VanDerWaalsContact C-N 3.34Å; K563-S565 PolarHBondContact O-N 3.02Å
564	I	27.7	Very low	41.2	Very low	156 Å²	156	122.6 Å²	122.6	80%	0.8	68%	0.675	S	S	*	*			trans	-56.2	105.2	163.3	-64.4	167.6	0	0	0	105.3	P562 P566	P562-I564 PolarHBondContact O-N 2.96Å; P562-I564 VanDerWaalsContact O-N 3.12Å; I564-P566 VanDerWaalsContact O-CD 3.24Å; I564-P566 WeakPolarHBondContact O-CD 3.44Å
565	S	27.7	Very low	44.2	Very low	106 Å²	106	115.3 Å²	115.3	74%	0.741	64%	0.636	S	S	*	*			trans	-63.7	111.9	176.2	-39.6	0	0	0	0	107.6	K563 D567	K563-S565 VanDerWaalsContact C-N 3.34Å; K563-S565 PolarHBondContact O-N 3.02Å; S565-D567 PolarHBondContact O-N 2.89Å
566	P	38.3	Very low	47.3	Very low	85 Å²	85	119 Å²	119	55%	0.552	64%	0.635	S	S	*	*			trans	-73.7	131	169.3	15.6	-1.8	0	0	0	107.4	I564 Y568	I564-P566 VanDerWaalsContact O-CD 3.24Å; I564-P566 WeakPolarHBondContact O-CD 3.44Å; P566-Y568 HydrophobicContact CG-CE2 4.34Å; P566-Y568 WeakPolarHBondContact O-CD2 3.49Å; P566-Y568 PolarHBondContact O-N 2.94Å
567	D	37.6	Very low	50.4	Low	146 Å²	146	113.2 Å²	113.2	78%	0.781	60%	0.604	S	S	*	*			trans	-48.7	105.6	172.4	-150.1	5.6	0	0	0	109.5	S565 D569	S565-D567 PolarHBondContact O-N 2.89Å; D567-D569 PolarHBondContact O-N 3.01Å; D567-D569 VanDerWaalsContact O-N 3.16Å
568	Y	39.5	Very low	53.6	Low	156 Å²	156	108 Å²	108	61%	0.612	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	26.1	-168.7	-103.8	-80.1	0	0	0	113.2	P566 N570	P566-Y568 HydrophobicContact CG-CE2 4.34Å; P566-Y568 WeakPolarHBondContact O-CD2 3.49Å; P566-Y568 PolarHBondContact O-N 2.94Å; Y568-N570 VanDerWaalsContact C-N 3.25Å; Y568-N570 PolarHBondContact O-N 2.97Å
569	D	45.4	Very low	56.7	Low	143 Å²	143	106.4 Å²	106.4	77%	0.765	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-1.5	175.6	-81.2	-8.9	0	0	0	113.3	D567 V571	D567-D569 PolarHBondContact O-N 3.01Å; D567-D569 VanDerWaalsContact O-N 3.16Å; D569-V571 PolarHBondContact O-N 3.5Å
570	N	51	Low	60	Low	127 Å²	127	103.2 Å²	103.2	68%	0.679	53%	0.528	S	S	*	.			trans	-95.9	89.9	177	-106.1	-31.8	0	0	0	112.4	Y568 C573	Y568-N570 VanDerWaalsContact C-N 3.25Å; Y568-N570 PolarHBondContact O-N 2.97Å; N570-C573 PolarHBondContact O-SG 3.39Å; N570-C573 VanDerWaalsContact O-SG 3.37Å
571	V	61.7	Low	63.2	Low	93 Å²	93	93.9 Å²	93.9	56%	0.564	49%	0.487	S	S	*	.	S	Bend	trans	-64.3	132.3	163.4	-171.5	0	0	0	0	107.7	D569	D569-V571 PolarHBondContact O-N 3.5Å
572	N	76.3	Confident	66.5	Low	50 Å²	50	92.7 Å²	92.7	27%	0.267	47%	0.472	S	S	.	.	S	Bend	trans	74	58	179.2	-53.2	-25.9	0	0	0	117.3	V535 C536 R574 D600	V535-N572 WeakPolarHBondContact O-CA 3.5Å; C536-N572 WeakPolarHBondContact CA-OD1 3.37Å; C536-N572 PolarHBondContact O-OD1 2.85Å; N572-R574 PolarHBondContact O-NH1 3.37Å; N572-D600 WeakPolarHBondContact CB-OD1 3.24Å; N572-D600 VanDerWaalsContact ND2-CG 3.35Å; N572-D600 PolarHBondContact ND2-OD2 2.92Å
573	C	83.8	Confident	69.6	Low	26 Å²	26	92.2 Å²	92.2	18%	0.176	46%	0.463	C	S	.	.			trans	-62	141.8	179.8	-67.1	0	0	0	0	113	M521 I534 N570	M521-C573 HydrophobicContact CE-CB 3.81Å; M521-C573 HydrophobicContact SD-CB 4.32Å; I534-C573 HydrophobicContact CG2-CB 3.69Å; I534-C573 VanDerWaalsContact O-CB 3.26Å; I534-C573 WeakPolarHBondContact O-CB 3.48Å; I534-C573 PolarHBondContact O-N 3.35Å; N570-C573 PolarHBondContact O-SG 3.39Å; N570-C573 VanDerWaalsContact O-SG 3.37Å
574	R	93.5	Very high	72.9	Confident	45 Å²	45	83.5 Å²	83.5	17%	0.17	43%	0.425	C	S	.	.			trans	-125.2	156.6	168.3	-65.2	-61.9	-178.8	-82.1	-4	109.5	V535 N572 R576 W598 D600	V535-R574 PolarHBondContact O-NH1 3.28Å; N572-R574 PolarHBondContact O-NH1 3.37Å; R574-R576 PolarHBondContact O-N 3.39Å; R574-W598 HydrophobicContact CB-CZ2 4.32Å; R574-W598 PolarHBondContact NE-O 2.63Å; R574-W598 PolarHBondContact NH2-O 3.04Å; R574-D600 IonicContact CZ-OD1 2.7Å; R574-D600 VanDerWaalsContact CZ-OD1 3.3Å; R574-D600 IonicContact NH1-OD1 3.21Å; R574-D600 IonicContact NH2-OD1 2.56Å; R574-D600 PolarHBondContact NH2-OD1 2.96Å
575	P	94.4	Very high	76	Confident	9 Å²	9	80.5 Å²	80.5	6%	0.058	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-56.2	140.4	172.2	-23.5	35.4	0	0	0	111.1	L494 W497 P517 F518 I577 W598	L494-P575 HydrophobicContact CD2-CG 3.7Å; W497-P575 HydrophobicContact CD2-CB 3.68Å; W497-P575 HydrophobicContact CD2-CG 4.42Å; W497-P575 HydrophobicContact CE3-CB 4.29Å; W497-P575 HydrophobicContact CG-CB 4.02Å; W497-P575 HydrophobicContact CH2-CB 4.22Å; W497-P575 HydrophobicContact CZ2-CB 3.64Å; P517-P575 HydrophobicContact CB-CG 4.35Å; F518-P575 HydrophobicContact CD1-CG 4.3Å; F518-P575 HydrophobicContact CE1-CG 3.92Å; F518-P575 HydrophobicContact CE2-CG 4.27Å; F518-P575 HydrophobicContact CZ-CG 3.91Å; P575-I577 PolarHBondContact O-N 3.34Å; P575-W598 HydrophobicContact CB-CH2 4.22Å; P575-W598 HydrophobicContact CB-CZ3 4.37Å; P575-W598 HydrophobicContact CG-CH2 4.35Å; P575-W598 HydrophobicContact CG-CZ3 4.06Å
576	R	93.8	Very high	79.2	Confident	175 Å²	175	77 Å²	77	66%	0.66	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-57.4	132.5	-175.8	179.9	176.2	179.4	175.7	1	111.8	W497 R574	W497-R576 PolarHBondContact NE1-O 3.41Å; R574-R576 PolarHBondContact O-N 3.39Å
577	I	95.5	Very high	82	Confident	37 Å²	37	73 Å²	73	19%	0.19	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-85.4	128.2	163.5	-59.4	-58.5	0	0	0	108.6	P575 W581 L582 A591 Q595 W598	P575-I577 PolarHBondContact O-N 3.34Å; I577-W581 HydrophobicContact CD1-CE3 4.12Å; I577-W581 HydrophobicContact CD1-CZ3 3.83Å; I577-W581 HydrophobicContact CG2-CE3 4.24Å; I577-L582 HydrophobicContact CG2-CD1 4.44Å; I577-L582 HydrophobicContact CG2-CD2 3.91Å; I577-L582 HydrophobicContact CG2-CG 4.12Å; I577-A591 HydrophobicContact CG2-CB 4.27Å; I577-Q595 HydrophobicContact CD1-CG 4.37Å; I577-Q595 HydrophobicContact CG1-CG 4.2Å; I577-W598 HydrophobicContact CD1-CH2 3.99Å; I577-W598 HydrophobicContact CD1-CZ2 3.69Å; I577-W598 HydrophobicContact CG1-CZ2 4.31Å
578	Y	95	Very high	84.8	Confident	50 Å²	50	67 Å²	67	20%	0.196	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-86.3	140.5	-175.6	-72.6	-92.8	0	0	0	111.3	W497 R501 E512 R580 W581 L582	W497-Y578 HydrophobicContact CZ2-CE2 4.32Å; R501-Y578 PolarHBondContact NH1-OH 3.41Å; E512-Y578 HydrophobicContact CG-CD1 3.67Å; E512-Y578 HydrophobicContact CG-CD2 4.16Å; E512-Y578 HydrophobicContact CG-CE1 3.73Å; E512-Y578 HydrophobicContact CG-CE2 4.23Å; E512-Y578 HydrophobicContact CG-CG 3.9Å; E512-Y578 WeakPolarHBondContact OE1-CB 3.07Å; Y578-R580 PolarHBondContact O-N 3.1Å; Y578-W581 AromaticContact CD2-CE2 3.92Å; Y578-W581 HydrophobicContact CD2-CH2 4.29Å; Y578-W581 AromaticContact CD2-CZ2 3.78Å; Y578-W581 HydrophobicContact CD2-CZ2 3.78Å; Y578-W581 HydrophobicContact CE2-CZ2 4.46Å; Y578-W581 WeakPolarHBondContact O-CB 3.5Å; Y578-W581 PolarHBondContact O-N 2.94Å; Y578-L582 PolarHBondContact O-N 2.72Å
579	Q	94.5	Very high	87.6	Confident	116 Å²	116	61.7 Å²	61.7	54%	0.542	31%	0.314	S	S	.	.	H	α-helix	trans	-56.3	-37.9	177.1	-171.2	60.1	37.7	0	0	111.4	W581 L582 D583	Q579-W581 PolarHBondContact O-N 2.84Å; Q579-L582 CarbonylContact O-C 3.46Å; Q579-L582 WeakPolarHBondContact O-CA 3.41Å; Q579-L582 WeakPolarHBondContact O-CB 3.5Å; Q579-L582 PolarHBondContact O-N 3.09Å; Q579-D583 PolarHBondContact NE2-OD1 2.7Å; Q579-D583 PolarHBondContact O-N 3.29Å
580	R	94.6	Very high	90.1	Very high	37 Å²	37	55 Å²	55	14%	0.14	28%	0.278	C	S	.	.	H	α-helix	trans	-50.5	-41.2	172.7	-177.6	-172.8	73.4	88.7	-7.4	113.2	A500 T503 F510 E512 Y578 L582 D584 L587	A500-R580 PolarHBondContact O-NH2 2.88Å; T503-R580 PolarHBondContact O-NH1 2.56Å; T503-R580 PolarHBondContact O-NH2 2.94Å; F510-R580 PolarHBondContact O-NH1 3.23Å; E512-R580 IonicContact OE1-CZ 3.12Å; E512-R580 IonicContact OE1-NE 2.72Å; E512-R580 PolarHBondContact OE1-NE 3.01Å; E512-R580 IonicContact OE1-NH2 2.84Å; E512-R580 IonicContact OE2-CZ 3.92Å; E512-R580 IonicContact OE2-NE 3.65Å; E512-R580 PolarHBondContact OE2-NE 3.17Å; E512-R580 IonicContact OE2-NH2 3.88Å; E512-R580 PolarHBondContact OE2-NH2 3.41Å; Y578-R580 PolarHBondContact O-N 3.1Å; R580-L582 VanDerWaalsContact C-N 3.32Å; R580-D584 PolarHBondContact O-N 2.87Å; R580-L587 VanDerWaalsContact NH1-CD1 3.31Å
581	W	95.5	Very high	92.3	Very high	1 Å²	1	49 Å²	49	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-69.6	-37.6	-179.5	-56.7	0.4	0	0	0	110.2	W497 A500 R501 E512 I577 Y578 Q579 D584 L587 S588 A591	W497-W581 AromaticContact CD1-CH2 3.4Å; W497-W581 AromaticContact CD1-CZ3 3.61Å; W497-W581 HydrophobicContact CG-CH2 4.05Å; W497-W581 HydrophobicContact CG-CZ3 4.5Å; W497-W581 AromaticContact NE1-CH2 3.55Å; W497-W581 AromaticContact NE1-CZ3 3.99Å; A500-W581 HydrophobicContact CB-CD2 4.22Å; A500-W581 HydrophobicContact CB-CE3 4.05Å; A500-W581 HydrophobicContact CB-CH2 3.43Å; A500-W581 VanDerWaalsContact CB-CH2 3.43Å; A500-W581 HydrophobicContact CB-CZ2 3.63Å; A500-W581 HydrophobicContact CB-CZ3 3.66Å; R501-W581 HydrophobicContact CB-CZ2 4.23Å; R501-W581 HydrophobicContact CG-CH2 4.02Å; R501-W581 HydrophobicContact CG-CZ2 3.59Å; E512-W581 PolarHBondContact OE1-NE1 2.94Å; E512-W581 PolarHBondContact OE2-NE1 2.78Å; I577-W581 HydrophobicContact CD1-CE3 4.12Å; I577-W581 HydrophobicContact CD1-CZ3 3.83Å; I577-W581 HydrophobicContact CG2-CE3 4.24Å; Y578-W581 AromaticContact CD2-CE2 3.92Å; Y578-W581 HydrophobicContact CD2-CH2 4.29Å; Y578-W581 AromaticContact CD2-CZ2 3.78Å; Y578-W581 HydrophobicContact CD2-CZ2 3.78Å; Y578-W581 HydrophobicContact CE2-CZ2 4.46Å; Y578-W581 WeakPolarHBondContact O-CB 3.5Å; Y578-W581 PolarHBondContact O-N 2.94Å; Q579-W581 PolarHBondContact O-N 2.84Å; W581-D584 PolarHBondContact O-N 2.77Å; W581-L587 HydrophobicContact CB-CB 4.14Å; W581-L587 CarbonylContact O-C 3.59Å; W581-L587 VanDerWaalsContact O-C 3.3Å; W581-S588 WeakPolarHBondContact O-CA 3.14Å; W581-S588 WeakPolarHBondContact O-CB 3.22Å; W581-S588 PolarHBondContact O-N 3.01Å; W581-A591 HydrophobicContact CB-CB 4.5Å; W581-A591 HydrophobicContact CE3-CB 4.13Å
582	L	95.5	Very high	94.1	Very high	79 Å²	79	49.1 Å²	49.1	41%	0.414	24%	0.241	S	C	.	.	H	α-helix	trans	-70.9	-32.6	178.9	-57.1	179.8	0	0	0	112.4	I577 Y578 Q579 R580 D584	I577-L582 HydrophobicContact CG2-CD1 4.44Å; I577-L582 HydrophobicContact CG2-CD2 3.91Å; I577-L582 HydrophobicContact CG2-CG 4.12Å; Y578-L582 PolarHBondContact O-N 2.72Å; Q579-L582 CarbonylContact O-C 3.46Å; Q579-L582 WeakPolarHBondContact O-CA 3.41Å; Q579-L582 WeakPolarHBondContact O-CB 3.5Å; Q579-L582 PolarHBondContact O-N 3.09Å; R580-L582 VanDerWaalsContact C-N 3.32Å; L582-D584 VanDerWaalsContact C-N 3.33Å
583	D	94.3	Very high	95.1	Very high	112 Å²	112	46.8 Å²	46.8	60%	0.599	23%	0.228	S	C	*	.	H	α-helix	trans	-76.3	-21	178.8	-60.5	-21.5	0	0	0	112.6	Q579	Q579-D583 PolarHBondContact NE2-OD1 2.7Å; Q579-D583 PolarHBondContact O-N 3.29Å
584	D	94.9	Very high	95.8	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	22%	0.22	C	C	.	.	S	Bend	trans	-90.3	132.1	174.9	178.1	-82.3	0	0	0	111.7	G505 I506 R580 W581 L582 Y586 L587 S588	G505-D584 VanDerWaalsContact CA-OD2 3.23Å; G505-D584 WeakPolarHBondContact CA-OD2 3.48Å; I506-D584 PolarHBondContact N-OD2 3.33Å; R580-D584 PolarHBondContact O-N 2.87Å; W581-D584 PolarHBondContact O-N 2.77Å; L582-D584 VanDerWaalsContact C-N 3.33Å; D584-Y586 VanDerWaalsContact C-N 3.25Å; D584-Y586 PolarHBondContact O-N 3.29Å; D584-Y586 VanDerWaalsContact O-N 3.15Å; D584-Y586 PolarHBondContact OD1-N 3.04Å; D584-L587 HydrophobicContact CB-CB 4.04Å; D584-L587 HydrophobicContact CB-CD1 4.17Å; D584-L587 HydrophobicContact CB-CG 4.37Å; D584-L587 PolarHBondContact OD1-N 3.34Å; D584-S588 WeakPolarHBondContact O-CB 3.16Å; D584-S588 PolarHBondContact O-N 3.09Å; D584-S588 PolarHBondContact O-OG 3.49Å
585	T	93.5	Very high	96	Very high	93 Å²	93	47.4 Å²	47.4	57%	0.571	23%	0.23	S	C	*	.	H	α-helix	trans	-55.6	-35.4	-174.8	-49.7	0	0	0	0	113.9	S588 C589	T585-S588 PolarHBondContact O-OG 3.09Å; T585-C589 PolarHBondContact O-SG 3.08Å; T585-C589 VanDerWaalsContact O-SG 3.34Å
586	Y	95.7	Very high	96.2	Very high	32 Å²	32	50.1 Å²	50.1	13%	0.125	24%	0.242	C	C	.	.	H	α-helix	trans	-104.8	-35.7	-171.9	-59.9	-78.5	0	0	0	112.3	I506 D584 S588 C589 Y590 I618 A621 V622 S625	I506-Y586 HydrophobicContact CD1-CD2 3.27Å; I506-Y586 HydrophobicContact CD1-CE2 3.26Å; I506-Y586 HydrophobicContact CD1-CG 4.3Å; I506-Y586 HydrophobicContact CG1-CD2 3.84Å; I506-Y586 HydrophobicContact CG1-CE2 4.22Å; D584-Y586 VanDerWaalsContact C-N 3.25Å; D584-Y586 PolarHBondContact O-N 3.29Å; D584-Y586 VanDerWaalsContact O-N 3.15Å; D584-Y586 PolarHBondContact OD1-N 3.04Å; Y586-S588 PolarHBondContact O-N 2.96Å; Y586-C589 WeakPolarHBondContact O-CB 3.22Å; Y586-C589 PolarHBondContact O-N 3.43Å; Y586-Y590 PolarHBondContact O-N 3.36Å; Y586-I618 HydrophobicContact CD1-CG2 4.38Å; Y586-A621 HydrophobicContact CD1-CB 4.46Å; Y586-A621 HydrophobicContact CE1-CB 3.81Å; Y586-A621 PolarHBondContact OH-O 3.07Å; Y586-V622 HydrophobicContact CD1-CB 4.43Å; Y586-V622 HydrophobicContact CD1-CG2 3.33Å; Y586-V622 HydrophobicContact CD2-CG2 4Å; Y586-V622 HydrophobicContact CE1-CG2 3.85Å; Y586-V622 HydrophobicContact CE2-CG2 4.47Å; Y586-V622 HydrophobicContact CG-CG2 3.39Å; Y586-S625 WeakPolarHBondContact OH-CB 3.36Å; Y586-S625 PolarHBondContact OH-OG 3.3Å
587	L	96.1	Very high	96.4	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-64.2	-30.6	171.2	-70.9	174.4	0	0	0	111.6	I324 T503 R580 W581 D584 Y590 A591	I324-L587 HydrophobicContact CD1-CD2 3.6Å; I324-L587 HydrophobicContact CD1-CG 4.06Å; T503-L587 HydrophobicContact CG2-CD2 4.21Å; R580-L587 VanDerWaalsContact NH1-CD1 3.31Å; W581-L587 HydrophobicContact CB-CB 4.14Å; W581-L587 CarbonylContact O-C 3.59Å; W581-L587 VanDerWaalsContact O-C 3.3Å; D584-L587 HydrophobicContact CB-CB 4.04Å; D584-L587 HydrophobicContact CB-CD1 4.17Å; D584-L587 HydrophobicContact CB-CG 4.37Å; D584-L587 PolarHBondContact OD1-N 3.34Å; L587-Y590 HydrophobicContact CD2-CD1 4.35Å; L587-Y590 PolarHBondContact O-N 2.83Å; L587-A591 VanDerWaalsContact O-CB 3.29Å; L587-A591 WeakPolarHBondContact O-CB 3.46Å; L587-A591 PolarHBondContact O-N 3.43Å
588	S	97	Very high	96.5	Very high	20 Å²	20	40.6 Å²	40.6	14%	0.14	20%	0.204	C	C	.	.	H	α-helix	trans	-65.7	-45.1	174.9	56.6	0	0	0	0	111.2	W581 D584 T585 Y586 Y590 A591 Q592	W581-S588 WeakPolarHBondContact O-CA 3.14Å; W581-S588 WeakPolarHBondContact O-CB 3.22Å; W581-S588 PolarHBondContact O-N 3.01Å; D584-S588 WeakPolarHBondContact O-CB 3.16Å; D584-S588 PolarHBondContact O-N 3.09Å; D584-S588 PolarHBondContact O-OG 3.49Å; T585-S588 PolarHBondContact O-OG 3.09Å; Y586-S588 PolarHBondContact O-N 2.96Å; S588-Y590 VanDerWaalsContact C-N 3.3Å; S588-Y590 PolarHBondContact O-N 2.85Å; S588-A591 PolarHBondContact O-N 3.48Å; S588-Q592 WeakPolarHBondContact O-CG 3.34Å; S588-Q592 PolarHBondContact O-N 3.42Å
589	C	97.7	Very high	96.5	Very high	46 Å²	46	42.5 Å²	42.5	31%	0.311	22%	0.215	S	C	.	.	H	α-helix	trans	-58.9	-41.8	171.9	-64.5	0	0	0	0	111.8	T585 Y586 Q592 V593 I618	T585-C589 PolarHBondContact O-SG 3.08Å; T585-C589 VanDerWaalsContact O-SG 3.34Å; Y586-C589 WeakPolarHBondContact O-CB 3.22Å; Y586-C589 PolarHBondContact O-N 3.43Å; C589-Q592 WeakPolarHBondContact O-CB 3.48Å; C589-Q592 PolarHBondContact O-N 3.34Å; C589-V593 PolarHBondContact O-N 3.43Å; C589-I618 HydrophobicContact CB-CD1 3.78Å; C589-I618 HydrophobicContact CB-CG1 3.95Å
590	Y	98	Very high	96.3	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-66.2	-42.7	177.3	-176.1	-139.1	0	0	0	111.8	L328 A331 F496 A500 Y586 L587 S588 Q592 V593 I594 L615	L328-Y590 HydrophobicContact CD2-CD2 4.23Å; L328-Y590 HydrophobicContact CD2-CG 4.29Å; A331-Y590 HydrophobicContact CB-CE2 3.92Å; A331-Y590 WeakPolarHBondContact CB-OH 3.49Å; F496-Y590 VanDerWaalsContact CA-OH 3.31Å; F496-Y590 WeakPolarHBondContact CA-OH 3.01Å; F496-Y590 HydrophobicContact CB-CE2 4.19Å; F496-Y590 VanDerWaalsContact CB-OH 3.22Å; F496-Y590 WeakPolarHBondContact CB-OH 3.48Å; F496-Y590 AromaticContact CD2-CE2 3.99Å; F496-Y590 HydrophobicContact CD2-CE2 3.99Å; F496-Y590 HydrophobicContact CG-CE2 4.14Å; F496-Y590 WeakPolarHBondContact CG-OH 3.45Å; F496-Y590 PolarHBondContact O-OH 3.03Å; A500-Y590 HydrophobicContact CB-CD1 4.01Å; A500-Y590 HydrophobicContact CB-CE1 3.7Å; Y586-Y590 PolarHBondContact O-N 3.36Å; L587-Y590 HydrophobicContact CD2-CD1 4.35Å; L587-Y590 PolarHBondContact O-N 2.83Å; S588-Y590 VanDerWaalsContact C-N 3.3Å; S588-Y590 PolarHBondContact O-N 2.85Å; Y590-Q592 VanDerWaalsContact C-N 3.3Å; Y590-Q592 PolarHBondContact O-N 3.47Å; Y590-V593 WeakPolarHBondContact O-CB 3.4Å; Y590-V593 PolarHBondContact O-N 3.16Å; Y590-V593 VanDerWaalsContact O-N 3.12Å; Y590-I594 HydrophobicContact CD1-CD1 4.39Å; Y590-I594 HydrophobicContact CE1-CD1 4.22Å; Y590-I594 HydrophobicContact CE2-CG1 4.5Å; Y590-I594 WeakPolarHBondContact O-CG1 3.47Å; Y590-I594 PolarHBondContact O-N 3.24Å; Y590-L615 HydrophobicContact CD2-CD2 3.54Å; Y590-L615 HydrophobicContact CE2-CD2 3.66Å
591	A	98	Very high	96.1	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-63.4	-33.4	175.4	0	0	0	0	0	112.5	I577 W581 L587 S588 I594 Q595	I577-A591 HydrophobicContact CG2-CB 4.27Å; W581-A591 HydrophobicContact CB-CB 4.5Å; W581-A591 HydrophobicContact CE3-CB 4.13Å; L587-A591 VanDerWaalsContact O-CB 3.29Å; L587-A591 WeakPolarHBondContact O-CB 3.46Å; L587-A591 PolarHBondContact O-N 3.43Å; S588-A591 PolarHBondContact O-N 3.48Å; A591-I594 PolarHBondContact O-N 3.33Å; A591-Q595 WeakPolarHBondContact O-CB 3.22Å; A591-Q595 VanDerWaalsContact O-CG 3.29Å; A591-Q595 WeakPolarHBondContact O-CG 3.31Å; A591-Q595 PolarHBondContact O-N 2.76Å; A591-Q595 PolarHBondContact O-NE2 3.11Å
592	Q	98	Very high	96.1	Very high	97 Å²	97	46.4 Å²	46.4	45%	0.453	24%	0.235	S	C	.	.	H	α-helix	trans	-63.8	-43.6	171.4	-71.8	169.7	9.2	0	0	111.5	S588 C589 Y590 I594 Q595 E596	S588-Q592 WeakPolarHBondContact O-CG 3.34Å; S588-Q592 PolarHBondContact O-N 3.42Å; C589-Q592 WeakPolarHBondContact O-CB 3.48Å; C589-Q592 PolarHBondContact O-N 3.34Å; Y590-Q592 VanDerWaalsContact C-N 3.3Å; Y590-Q592 PolarHBondContact O-N 3.47Å; Q592-I594 VanDerWaalsContact C-N 3.31Å; Q592-I594 PolarHBondContact O-N 2.86Å; Q592-Q595 PolarHBondContact O-N 2.99Å; Q592-E596 WeakPolarHBondContact O-CG 3.42Å; Q592-E596 PolarHBondContact O-N 2.73Å
593	V	98.5	Very high	96	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-59.1	-44.5	175.1	174.9	0	0	0	0	110.8	C589 Y590 Q595 E596 C597 L606 V611 R614 L615 I618	C589-V593 PolarHBondContact O-N 3.43Å; Y590-V593 WeakPolarHBondContact O-CB 3.4Å; Y590-V593 PolarHBondContact O-N 3.16Å; Y590-V593 VanDerWaalsContact O-N 3.12Å; V593-Q595 VanDerWaalsContact C-N 3.34Å; V593-Q595 PolarHBondContact O-N 2.85Å; V593-E596 PolarHBondContact O-N 3.42Å; V593-C597 PolarHBondContact O-N 2.82Å; V593-C597 VanDerWaalsContact O-N 3.09Å; V593-C597 PolarHBondContact O-SG 3.2Å; V593-L606 HydrophobicContact CG1-CD1 4.48Å; V593-V611 HydrophobicContact CG1-CG1 3.97Å; V593-R614 HydrophobicContact CG2-CB 4Å; V593-L615 HydrophobicContact CG1-CD2 4.32Å; V593-I618 HydrophobicContact CG2-CD1 4.13Å
594	I	98.5	Very high	96	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.1	-48.4	175.7	-64.9	171	0	0	0	110.4	A493 F496 A500 Y590 A591 Q592 E596 C597 W598	A493-I594 HydrophobicContact CB-CG2 4.35Å; F496-I594 HydrophobicContact CB-CD1 3.95Å; F496-I594 HydrophobicContact CB-CG1 3.72Å; A500-I594 HydrophobicContact CB-CD1 4.1Å; Y590-I594 HydrophobicContact CD1-CD1 4.39Å; Y590-I594 HydrophobicContact CE1-CD1 4.22Å; Y590-I594 HydrophobicContact CE2-CG1 4.5Å; Y590-I594 WeakPolarHBondContact O-CG1 3.47Å; Y590-I594 PolarHBondContact O-N 3.24Å; A591-I594 PolarHBondContact O-N 3.33Å; Q592-I594 VanDerWaalsContact C-N 3.31Å; Q592-I594 PolarHBondContact O-N 2.86Å; I594-E596 VanDerWaalsContact C-N 3.33Å; I594-E596 PolarHBondContact O-N 2.97Å; I594-C597 PolarHBondContact O-N 3.09Å; I594-C597 VanDerWaalsContact O-N 3.07Å; I594-W598 HydrophobicContact CG2-CD2 3.77Å; I594-W598 HydrophobicContact CG2-CE3 3.59Å; I594-W598 HydrophobicContact CG2-CH2 3.38Å; I594-W598 HydrophobicContact CG2-CZ2 3.54Å; I594-W598 HydrophobicContact CG2-CZ3 3.4Å; I594-W598 VanDerWaalsContact CG2-CZ3 3.4Å; I594-W598 PolarHBondContact O-N 3Å
595	Q	97.7	Very high	96.2	Very high	84 Å²	84	45.4 Å²	45.4	39%	0.393	24%	0.237	S	C	.	.	H	α-helix	trans	-59.7	-39.8	-178.8	-76.1	171.2	96.7	0	0	113.7	I577 A591 Q592 V593	I577-Q595 HydrophobicContact CD1-CG 4.37Å; I577-Q595 HydrophobicContact CG1-CG 4.2Å; A591-Q595 WeakPolarHBondContact O-CB 3.22Å; A591-Q595 VanDerWaalsContact O-CG 3.29Å; A591-Q595 WeakPolarHBondContact O-CG 3.31Å; A591-Q595 PolarHBondContact O-N 2.76Å; A591-Q595 PolarHBondContact O-NE2 3.11Å; Q592-Q595 PolarHBondContact O-N 2.99Å; V593-Q595 VanDerWaalsContact C-N 3.34Å; V593-Q595 PolarHBondContact O-N 2.85Å
596	E	98	Very high	96.4	Very high	66 Å²	66	41.4 Å²	41.4	31%	0.308	21%	0.213	S	C	.	.	H	α-helix	trans	-74.3	-25.2	176.5	-66.5	178.4	-139.5	0	0	113.4	Q592 V593 I594 L606 R614	Q592-E596 WeakPolarHBondContact O-CG 3.42Å; Q592-E596 PolarHBondContact O-N 2.73Å; V593-E596 PolarHBondContact O-N 3.42Å; I594-E596 VanDerWaalsContact C-N 3.33Å; I594-E596 PolarHBondContact O-N 2.97Å; E596-L606 HydrophobicContact CB-CD1 3.85Å; E596-L606 HydrophobicContact CB-CG 3.97Å; E596-L606 WeakPolarHBondContact OE2-CD2 3.46Å; E596-R614 IonicContact OE1-CZ 3.89Å; E596-R614 IonicContact OE1-NH1 3.48Å; E596-R614 PolarHBondContact OE1-NH1 3.37Å; E596-R614 IonicContact OE1-NH2 3.3Å; E596-R614 PolarHBondContact OE1-NH2 3.02Å; E596-R614 IonicContact OE2-CZ 2.84Å; E596-R614 IonicContact OE2-NH1 2.72Å; E596-R614 PolarHBondContact OE2-NH1 3.2Å
597	C	98.4	Very high	96.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-78.7	-27.2	178.8	-68.6	0	0	0	0	113.1	I489 A493 V593 I594 R605 V611	I489-C597 HydrophobicContact CG2-CB 3.7Å; A493-C597 HydrophobicContact CB-CB 3.55Å; V593-C597 PolarHBondContact O-N 2.82Å; V593-C597 VanDerWaalsContact O-N 3.09Å; V593-C597 PolarHBondContact O-SG 3.2Å; I594-C597 PolarHBondContact O-N 3.09Å; I594-C597 VanDerWaalsContact O-N 3.07Å; C597-R605 VanDerWaalsContact O-CD 3.22Å; C597-R605 WeakPolarHBondContact O-CD 3.11Å; C597-R605 WeakPolarHBondContact O-CG 3.29Å; C597-V611 WeakPolarHBondContact SG-CG2 2.96Å
598	W	96.5	Very high	96.6	Very high	12 Å²	12	43.2 Å²	43.2	5%	0.045	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	25.1	179.7	63.8	26.8	0	0	0	114	Y490 A493 L494 W497 R574 P575 I577 I594	Y490-W598 HydrophobicContact CD2-CB 3.69Å; Y490-W598 HydrophobicContact CE2-CB 3.82Å; Y490-W598 HydrophobicContact CG-CB 4.46Å; A493-W598 HydrophobicContact CB-CB 3.9Å; A493-W598 HydrophobicContact CB-CD2 4.26Å; A493-W598 HydrophobicContact CB-CE3 3.89Å; A493-W598 HydrophobicContact CB-CG 4.3Å; L494-W598 HydrophobicContact CD2-CE3 3.92Å; L494-W598 HydrophobicContact CD2-CZ3 4.03Å; W497-W598 HydrophobicContact CB-CH2 4.11Å; W497-W598 HydrophobicContact CB-CZ3 3.75Å; W497-W598 AromaticContact CD1-CH2 3.52Å; W497-W598 HydrophobicContact CG-CH2 4Å; W497-W598 HydrophobicContact CG-CZ3 4.02Å; R574-W598 HydrophobicContact CB-CZ2 4.32Å; R574-W598 PolarHBondContact NE-O 2.63Å; R574-W598 PolarHBondContact NH2-O 3.04Å; P575-W598 HydrophobicContact CB-CH2 4.22Å; P575-W598 HydrophobicContact CB-CZ3 4.37Å; P575-W598 HydrophobicContact CG-CH2 4.35Å; P575-W598 HydrophobicContact CG-CZ3 4.06Å; I577-W598 HydrophobicContact CD1-CH2 3.99Å; I577-W598 HydrophobicContact CD1-CZ2 3.69Å; I577-W598 HydrophobicContact CG1-CZ2 4.31Å; I594-W598 HydrophobicContact CG2-CD2 3.77Å; I594-W598 HydrophobicContact CG2-CE3 3.59Å; I594-W598 HydrophobicContact CG2-CH2 3.38Å; I594-W598 HydrophobicContact CG2-CZ2 3.54Å; I594-W598 HydrophobicContact CG2-CZ3 3.4Å; I594-W598 VanDerWaalsContact CG2-CZ3 3.4Å; I594-W598 PolarHBondContact O-N 3Å
599	H	95.3	Very high	96.6	Very high	90 Å²	90	45.5 Å²	45.5	42%	0.417	24%	0.24	S	C	.	.			trans	-53.7	148.3	175.7	-168.9	-83.7	0	0	0	111.7	D601 V604 R605	H599-D601 PolarHBondContact ND1-N 2.92Å; H599-D601 PolarHBondContact ND1-O 3.1Å; H599-V604 HydrophobicContact CB-CG2 4.02Å; H599-V604 VanDerWaalsContact CE1-CG2 3.48Å; H599-V604 WeakPolarHBondContact CE1-CG2 3.13Å; H599-V604 VanDerWaalsContact CG-CG2 3.46Å; H599-V604 WeakPolarHBondContact ND1-CG2 3.49Å; H599-R605 HydrophobicContact CB-CG 4.15Å; H599-R605 PolarHBondContact O-NE 3Å; H599-R605 PolarHBondContact O-NH2 2.94Å; H599-R605 VanDerWaalsContact O-NH2 3.11Å
600	D	90.8	Very high	96.6	Very high	76 Å²	76	50.5 Å²	50.5	41%	0.406	25%	0.253	S	S	.	.	S	Bend	trans	-57.9	-55.1	-179	-74.2	-21.5	0	0	0	111.6	N572 R574 W602 R605	N572-D600 WeakPolarHBondContact CB-OD1 3.24Å; N572-D600 VanDerWaalsContact ND2-CG 3.35Å; N572-D600 PolarHBondContact ND2-OD2 2.92Å; R574-D600 IonicContact CZ-OD1 2.7Å; R574-D600 VanDerWaalsContact CZ-OD1 3.3Å; R574-D600 IonicContact NH1-OD1 3.21Å; R574-D600 IonicContact NH2-OD1 2.56Å; R574-D600 PolarHBondContact NH2-OD1 2.96Å; D600-W602 PolarHBondContact O-N 3.2Å; D600-R605 PolarHBondContact O-NH2 3.02Å
601	D	91	Very high	96.6	Very high	71 Å²	71	50.5 Å²	50.5	38%	0.38	25%	0.252	S	S	.	.	S	Bend	trans	-69.5	116.7	170.6	-176.6	-6.5	0	0	0	110.3	H599 S603 V604	H599-D601 PolarHBondContact ND1-N 2.92Å; H599-D601 PolarHBondContact ND1-O 3.1Å; D601-S603 VanDerWaalsContact C-N 3.25Å; D601-S603 PolarHBondContact O-N 3.24Å; D601-S603 WeakPolarHBondContact OD1-CB 3.44Å; D601-S603 PolarHBondContact OD1-N 3.25Å; D601-S603 PolarHBondContact OD1-OG 3.39Å; D601-S603 PolarHBondContact OD2-OG 3.08Å; D601-S603 VanDerWaalsContact OD2-OG 3.1Å; D601-V604 HydrophobicContact CB-CG2 4.04Å; D601-V604 VanDerWaalsContact O-CG2 3.27Å; D601-V604 WeakPolarHBondContact O-CG2 3.43Å
602	W	93.9	Very high	96.6	Very high	89 Å²	89	55 Å²	55	34%	0.337	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-67.5	-26.1	180	66.2	-94.6	0	0	0	112.8	E444 E482 V483 A486 D600 V604 R605	E444-W602 HydrophobicContact CG-CB 4.19Å; E444-W602 HydrophobicContact CG-CG 4.18Å; E482-W602 HydrophobicContact CB-CZ3 4.21Å; V483-W602 HydrophobicContact CG2-CD2 4.27Å; V483-W602 HydrophobicContact CG2-CE3 4.36Å; V483-W602 HydrophobicContact CG2-CH2 3.84Å; V483-W602 HydrophobicContact CG2-CZ2 3.73Å; V483-W602 HydrophobicContact CG2-CZ3 4.16Å; A486-W602 HydrophobicContact CB-CB 3.93Å; A486-W602 HydrophobicContact CB-CD2 4.47Å; A486-W602 HydrophobicContact CB-CE3 3.8Å; D600-W602 PolarHBondContact O-N 3.2Å; W602-V604 VanDerWaalsContact C-N 3.3Å; W602-V604 PolarHBondContact O-N 3.17Å; W602-R605 PolarHBondContact O-N 2.79Å
603	S	93.6	Very high	96.6	Very high	74 Å²	74	56.5 Å²	56.5	52%	0.517	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-73.4	-21.8	-175.7	74	0	0	0	0	113.2	D601	D601-S603 VanDerWaalsContact C-N 3.25Å; D601-S603 PolarHBondContact O-N 3.24Å; D601-S603 WeakPolarHBondContact OD1-CB 3.44Å; D601-S603 PolarHBondContact OD1-N 3.25Å; D601-S603 PolarHBondContact OD1-OG 3.39Å; D601-S603 PolarHBondContact OD2-OG 3.08Å; D601-S603 VanDerWaalsContact OD2-OG 3.1Å
604	V	95.7	Very high	96.6	Very high	80 Å²	80	58.9 Å²	58.9	49%	0.485	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-95	-7.5	178.3	-55	0	0	0	0	113.7	H599 D601 W602	H599-V604 HydrophobicContact CB-CG2 4.02Å; H599-V604 VanDerWaalsContact CE1-CG2 3.48Å; H599-V604 WeakPolarHBondContact CE1-CG2 3.13Å; H599-V604 VanDerWaalsContact CG-CG2 3.46Å; H599-V604 WeakPolarHBondContact ND1-CG2 3.49Å; D601-V604 HydrophobicContact CB-CG2 4.04Å; D601-V604 VanDerWaalsContact O-CG2 3.27Å; D601-V604 WeakPolarHBondContact O-CG2 3.43Å; W602-V604 VanDerWaalsContact C-N 3.3Å; W602-V604 PolarHBondContact O-N 3.17Å
605	R	97.6	Very high	96.6	Very high	19 Å²	19	58.9 Å²	58.9	7%	0.072	28%	0.283	C	S	.	.	S	Bend	trans	-61.3	145.4	179.1	-66.1	175.3	-171.7	152.8	14.3	110.6	E444 A486 I489 C597 H599 D600 W602 S607	E444-R605 IonicContact OE1-CZ 3.35Å; E444-R605 IonicContact OE1-NH1 3.67Å; E444-R605 PolarHBondContact OE1-NH1 2.78Å; E444-R605 IonicContact OE1-NH2 3.6Å; E444-R605 IonicContact OE2-CZ 3.58Å; E444-R605 IonicContact OE2-NH1 2.9Å; E444-R605 PolarHBondContact OE2-NH1 2.78Å; E444-R605 IonicContact OE2-NH2 3.38Å; E444-R605 PolarHBondContact OE2-NH2 3.02Å; A486-R605 PolarHBondContact O-NH1 3.46Å; I489-R605 HydrophobicContact CG2-CB 4.24Å; C597-R605 VanDerWaalsContact O-CD 3.22Å; C597-R605 WeakPolarHBondContact O-CD 3.11Å; C597-R605 WeakPolarHBondContact O-CG 3.29Å; H599-R605 HydrophobicContact CB-CG 4.15Å; H599-R605 PolarHBondContact O-NE 3Å; H599-R605 PolarHBondContact O-NH2 2.94Å; H599-R605 VanDerWaalsContact O-NH2 3.11Å; D600-R605 PolarHBondContact O-NH2 3.02Å; W602-R605 PolarHBondContact O-N 2.79Å; R605-S607 PolarHBondContact O-N 2.93Å
606	L	97.8	Very high	96.5	Very high	10 Å²	10	56 Å²	56	5%	0.052	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-61.8	137.7	178.5	-62.4	176.1	0	0	0	111.3	I489 V593 E596 R610 V611	I489-L606 WeakPolarHBondContact CG1-O 3.4Å; I489-L606 VanDerWaalsContact CG2-O 3.28Å; I489-L606 WeakPolarHBondContact CG2-O 3.26Å; V593-L606 HydrophobicContact CG1-CD1 4.48Å; E596-L606 HydrophobicContact CB-CD1 3.85Å; E596-L606 HydrophobicContact CB-CG 3.97Å; E596-L606 WeakPolarHBondContact OE2-CD2 3.46Å; L606-R610 HydrophobicContact CD2-CG 4.04Å; L606-V611 HydrophobicContact CB-CG2 3.56Å; L606-V611 HydrophobicContact CD1-CG2 4.08Å; L606-V611 HydrophobicContact CG-CG2 4.5Å
607	S	97.9	Very high	96.4	Very high	69 Å²	69	59.2 Å²	59.2	48%	0.483	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-65.7	149.1	166.9	68.8	0	0	0	0	110.9	R605 L609 R610 V611	R605-S607 PolarHBondContact O-N 2.93Å; S607-L609 PolarHBondContact O-N 3.13Å; S607-L609 VanDerWaalsContact O-N 3.1Å; S607-R610 WeakPolarHBondContact O-CA 3.04Å; S607-R610 WeakPolarHBondContact O-CB 2.91Å; S607-R610 PolarHBondContact O-N 2.94Å; S607-R610 PolarHBondContact OG-N 3.2Å; S607-V611 WeakPolarHBondContact O-CG2 3.49Å; S607-V611 PolarHBondContact O-N 3.4Å
608	A	98.2	Very high	96.4	Very high	1 Å²	1	60 Å²	60	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-54.8	-35.1	179.7	0	0	0	0	0	112.5	L338 A339 I489 R610 V611 R612	L338-A608 HydrophobicContact CB-CB 4.12Å; L338-A608 HydrophobicContact CD2-CB 4.15Å; L338-A608 HydrophobicContact CG-CB 3.97Å; A339-A608 HydrophobicContact CB-CB 3.93Å; I489-A608 HydrophobicContact CD1-CB 3.69Å; A608-R610 PolarHBondContact O-N 2.77Å; A608-V611 PolarHBondContact O-N 3.35Å; A608-R612 PolarHBondContact O-N 3.39Å
609	L	96.8	Very high	96.4	Very high	69 Å²	69	61.8 Å²	61.8	36%	0.361	30%	0.304	S	S	.	.	H	α-helix	trans	-63.3	-40.8	174	-179.8	61.8	0	0	0	112.5	A339 S607 K613	A339-L609 HydrophobicContact CB-CB 4.31Å; S607-L609 PolarHBondContact O-N 3.13Å; S607-L609 VanDerWaalsContact O-N 3.1Å; L609-K613 WeakPolarHBondContact O-CG 3.28Å; L609-K613 PolarHBondContact O-N 2.75Å; L609-K613 VanDerWaalsContact O-N 3.14Å
610	R	97.9	Very high	96.4	Very high	151 Å²	151	61 Å²	61	57%	0.57	30%	0.303	S	S	*	.	H	α-helix	trans	-70.4	-39.1	177.8	-171.1	168	178.9	174.5	0.2	111.2	L606 S607 A608 K613 R614	L606-R610 HydrophobicContact CD2-CG 4.04Å; S607-R610 WeakPolarHBondContact O-CA 3.04Å; S607-R610 WeakPolarHBondContact O-CB 2.91Å; S607-R610 PolarHBondContact O-N 2.94Å; S607-R610 PolarHBondContact OG-N 3.2Å; A608-R610 PolarHBondContact O-N 2.77Å; R610-K613 PolarHBondContact O-N 2.95Å; R610-R614 PolarHBondContact O-N 3.09Å
611	V	98.7	Very high	96.7	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-56.5	-52.7	172.1	178.1	0	0	0	0	110.5	A335 M492 F496 V593 C597 L606 S607 A608 K613 R614 L615	A335-V611 HydrophobicContact CB-CB 4.45Å; A335-V611 HydrophobicContact CB-CG1 3.99Å; M492-V611 HydrophobicContact CE-CB 4.07Å; M492-V611 HydrophobicContact CE-CG1 3.82Å; M492-V611 HydrophobicContact CE-CG2 3.93Å; F496-V611 HydrophobicContact CE2-CG1 3.68Å; F496-V611 HydrophobicContact CZ-CG1 4.31Å; V593-V611 HydrophobicContact CG1-CG1 3.97Å; C597-V611 WeakPolarHBondContact SG-CG2 2.96Å; L606-V611 HydrophobicContact CB-CG2 3.56Å; L606-V611 HydrophobicContact CD1-CG2 4.08Å; L606-V611 HydrophobicContact CG-CG2 4.5Å; S607-V611 WeakPolarHBondContact O-CG2 3.49Å; S607-V611 PolarHBondContact O-N 3.4Å; A608-V611 PolarHBondContact O-N 3.35Å; V611-K613 VanDerWaalsContact C-N 3.29Å; V611-K613 PolarHBondContact O-N 2.85Å; V611-R614 PolarHBondContact O-N 3.32Å; V611-R614 VanDerWaalsContact O-N 3.1Å; V611-L615 HydrophobicContact CG1-CD1 4.01Å; V611-L615 HydrophobicContact CG1-CG 4.35Å; V611-L615 WeakPolarHBondContact O-CG 3.37Å; V611-L615 PolarHBondContact O-N 3.37Å
612	R	97.8	Very high	96.8	Very high	96 Å²	96	55.9 Å²	55.9	36%	0.362	28%	0.281	S	S	.	.	H	α-helix	trans	-54.4	-44.5	177.5	-171.3	-172.2	80.6	139.1	-0.7	112.4	A335 A336 A608 L615 G616	A335-R612 HydrophobicContact CB-CB 3.91Å; A335-R612 HydrophobicContact CB-CG 4.48Å; A336-R612 HydrophobicContact CB-CG 4.24Å; A608-R612 PolarHBondContact O-N 3.39Å; R612-L615 PolarHBondContact O-N 3.22Å; R612-G616 PolarHBondContact O-N 2.75Å
613	K	97.5	Very high	96.8	Very high	128 Å²	128	57.5 Å²	57.5	56%	0.557	29%	0.287	S	S	*	.	H	α-helix	trans	-62.9	-42.4	178.7	-75.1	178.7	178.7	-176.2	0	112	L609 R610 V611 G616 Q617	L609-K613 WeakPolarHBondContact O-CG 3.28Å; L609-K613 PolarHBondContact O-N 2.75Å; L609-K613 VanDerWaalsContact O-N 3.14Å; R610-K613 PolarHBondContact O-N 2.95Å; V611-K613 VanDerWaalsContact C-N 3.29Å; V611-K613 PolarHBondContact O-N 2.85Å; K613-G616 PolarHBondContact O-N 2.9Å; K613-Q617 WeakPolarHBondContact O-CG 3.33Å; K613-Q617 PolarHBondContact O-N 2.81Å; K613-Q617 VanDerWaalsContact O-N 3.14Å
614	R	98.2	Very high	96.8	Very high	52 Å²	52	58.7 Å²	58.7	20%	0.196	28%	0.284	C	S	.	.	H	α-helix	trans	-67	-43.3	177.9	-73	-175	73	161.1	-4.7	112.3	V593 E596 R610 V611 G616 Q617 I618	V593-R614 HydrophobicContact CG2-CB 4Å; E596-R614 IonicContact OE1-CZ 3.89Å; E596-R614 IonicContact OE1-NH1 3.48Å; E596-R614 PolarHBondContact OE1-NH1 3.37Å; E596-R614 IonicContact OE1-NH2 3.3Å; E596-R614 PolarHBondContact OE1-NH2 3.02Å; E596-R614 IonicContact OE2-CZ 2.84Å; E596-R614 IonicContact OE2-NH1 2.72Å; E596-R614 PolarHBondContact OE2-NH1 3.2Å; R610-R614 PolarHBondContact O-N 3.09Å; V611-R614 PolarHBondContact O-N 3.32Å; V611-R614 VanDerWaalsContact O-N 3.1Å; R614-G616 VanDerWaalsContact C-N 3.3Å; R614-G616 PolarHBondContact O-N 2.85Å; R614-Q617 WeakPolarHBondContact O-CB 3.3Å; R614-Q617 PolarHBondContact O-N 2.99Å; R614-I618 WeakPolarHBondContact O-CG1 3.42Å; R614-I618 PolarHBondContact O-N 3.41Å; R614-I618 VanDerWaalsContact O-N 3.09Å
615	L	98.4	Very high	96.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-40.1	175.9	-65.3	176.7	0	0	0	111.8	L328 A331 S332 A335 F496 Y590 V593 V611 R612 Q617 I618 E619	L328-L615 HydrophobicContact CD2-CD2 4.41Å; A331-L615 HydrophobicContact CB-CD1 3.81Å; A331-L615 HydrophobicContact CB-CD2 4.5Å; S332-L615 WeakPolarHBondContact OG-CB 3.48Å; A335-L615 HydrophobicContact CB-CD1 4.1Å; F496-L615 HydrophobicContact CE2-CD1 3.7Å; F496-L615 HydrophobicContact CZ-CD1 3.76Å; Y590-L615 HydrophobicContact CD2-CD2 3.54Å; Y590-L615 HydrophobicContact CE2-CD2 3.66Å; V593-L615 HydrophobicContact CG1-CD2 4.32Å; V611-L615 HydrophobicContact CG1-CD1 4.01Å; V611-L615 HydrophobicContact CG1-CG 4.35Å; V611-L615 WeakPolarHBondContact O-CG 3.37Å; V611-L615 PolarHBondContact O-N 3.37Å; R612-L615 PolarHBondContact O-N 3.22Å; L615-Q617 VanDerWaalsContact C-N 3.32Å; L615-Q617 PolarHBondContact O-N 3.07Å; L615-I618 HydrophobicContact CD2-CD1 4.45Å; L615-I618 PolarHBondContact O-N 3.48Å; L615-I618 VanDerWaalsContact O-N 3.16Å; L615-E619 PolarHBondContact O-N 3.05Å
616	G	96	Very high	96.2	Very high	24 Å²	24	57.9 Å²	57.9	25%	0.247	28%	0.28	C	S	.	.	H	α-helix	trans	-60.1	-39.3	173.8	0	0	0	0	0	113.3	R612 K613 R614 I618 E619 D620	R612-G616 PolarHBondContact O-N 2.75Å; K613-G616 PolarHBondContact O-N 2.9Å; R614-G616 VanDerWaalsContact C-N 3.3Å; R614-G616 PolarHBondContact O-N 2.85Å; G616-I618 PolarHBondContact O-N 3.15Å; G616-E619 PolarHBondContact O-N 3.4Å; G616-D620 PolarHBondContact O-N 3.2Å
617	Q	97.4	Very high	95.8	Very high	133 Å²	133	60.9 Å²	60.9	62%	0.621	30%	0.296	S	S	*	.	H	α-helix	trans	-63.4	-40.3	174.3	-70.1	169.9	-24.8	0	0	112.1	K613 R614 L615 A621	K613-Q617 WeakPolarHBondContact O-CG 3.33Å; K613-Q617 PolarHBondContact O-N 2.81Å; K613-Q617 VanDerWaalsContact O-N 3.14Å; R614-Q617 WeakPolarHBondContact O-CB 3.3Å; R614-Q617 PolarHBondContact O-N 2.99Å; L615-Q617 VanDerWaalsContact C-N 3.32Å; L615-Q617 PolarHBondContact O-N 3.07Å; Q617-A621 WeakPolarHBondContact O-CB 2.92Å; Q617-A621 PolarHBondContact O-N 3.4Å
618	I	97.6	Very high	95.3	Very high	15 Å²	15	64.8 Å²	64.8	8%	0.077	30%	0.3	C	S	.	.	H	α-helix	trans	-66.9	-44.7	176.4	-58.8	167.2	0	0	0	110	L328 Y586 C589 V593 R614 L615 G616 D620 A621 V622	L328-I618 HydrophobicContact CD1-CG2 3.72Å; L328-I618 HydrophobicContact CD2-CB 4.41Å; L328-I618 HydrophobicContact CD2-CG2 3.94Å; Y586-I618 HydrophobicContact CD1-CG2 4.38Å; C589-I618 HydrophobicContact CB-CD1 3.78Å; C589-I618 HydrophobicContact CB-CG1 3.95Å; V593-I618 HydrophobicContact CG2-CD1 4.13Å; R614-I618 WeakPolarHBondContact O-CG1 3.42Å; R614-I618 PolarHBondContact O-N 3.41Å; R614-I618 VanDerWaalsContact O-N 3.09Å; L615-I618 HydrophobicContact CD2-CD1 4.45Å; L615-I618 PolarHBondContact O-N 3.48Å; L615-I618 VanDerWaalsContact O-N 3.16Å; G616-I618 PolarHBondContact O-N 3.15Å; I618-D620 PolarHBondContact O-N 3.35Å; I618-A621 PolarHBondContact O-N 2.9Å; I618-V622 HydrophobicContact CG2-CG2 4.44Å; I618-V622 WeakPolarHBondContact O-CG2 3.37Å; I618-V622 PolarHBondContact O-N 3.25Å
619	E	96.3	Very high	94.7	Very high	50 Å²	50	69 Å²	69	23%	0.234	32%	0.318	C	S	.	.	H	α-helix	trans	-59.2	-45.2	177.6	-173.7	177.9	177.4	0	0	111.7	R329 L615 G616 A621 V622 R623	R329-E619 IonicContact CZ-OE1 2.75Å; R329-E619 IonicContact NH2-OE1 3.46Å; R329-E619 PolarHBondContact NH2-OE1 3.19Å; R329-E619 VanDerWaalsContact NH2-OE1 3.12Å; L615-E619 PolarHBondContact O-N 3.05Å; G616-E619 PolarHBondContact O-N 3.4Å; E619-A621 PolarHBondContact O-N 2.7Å; E619-V622 PolarHBondContact O-N 3.45Å; E619-R623 WeakPolarHBondContact O-CB 3.25Å; E619-R623 PolarHBondContact O-N 2.69Å
620	D	95.5	Very high	94.1	Very high	74 Å²	74	75.1 Å²	75.1	40%	0.396	34%	0.337	S	S	.	.	H	α-helix	trans	-63.5	-40.9	175.9	-86.9	-38.5	0	0	0	112.3	G616 I618 R623 Q624	G616-D620 PolarHBondContact O-N 3.2Å; I618-D620 PolarHBondContact O-N 3.35Å; D620-R623 PolarHBondContact O-N 3.38Å; D620-R623 IonicContact OD1-CZ 3.82Å; D620-R623 IonicContact OD1-NE 3.78Å; D620-R623 PolarHBondContact OD1-NE 3.03Å; D620-R623 IonicContact OD1-NH2 3.8Å; D620-R623 PolarHBondContact OD1-NH2 2.86Å; D620-Q624 VanDerWaalsContact O-CG 3.3Å; D620-Q624 WeakPolarHBondContact O-CG 2.93Å; D620-Q624 PolarHBondContact O-N 3.31Å
621	A	96.1	Very high	93.4	Very high	38 Å²	38	73.6 Å²	73.6	31%	0.314	34%	0.336	S	S	.	.	H	α-helix	trans	-65.8	-41	177.6	0	0	0	0	0	112.2	Y586 Q617 I618 E619 S625	Y586-A621 HydrophobicContact CD1-CB 4.46Å; Y586-A621 HydrophobicContact CE1-CB 3.81Å; Y586-A621 PolarHBondContact OH-O 3.07Å; Q617-A621 WeakPolarHBondContact O-CB 2.92Å; Q617-A621 PolarHBondContact O-N 3.4Å; I618-A621 PolarHBondContact O-N 2.9Å; E619-A621 PolarHBondContact O-N 2.7Å; A621-S625 WeakPolarHBondContact O-CB 3.3Å; A621-S625 PolarHBondContact O-N 3.08Å; A621-S625 VanDerWaalsContact O-N 3.1Å
622	V	94.9	Very high	92.6	Very high	2 Å²	2	81 Å²	81	1%	0.012	37%	0.37	C	S	.	.	H	α-helix	trans	-61.4	-48.5	172.7	168.2	0	0	0	0	110.2	I324 Q325 L328 I506 Y586 I618 E619 Q624 S625 L626	I324-V622 HydrophobicContact CG1-CG2 4.21Å; I324-V622 HydrophobicContact CG2-CG1 3.87Å; Q325-V622 HydrophobicContact CG-CG1 4.02Å; L328-V622 HydrophobicContact CD1-CB 4.48Å; L328-V622 HydrophobicContact CD1-CG2 3.79Å; I506-V622 HydrophobicContact CD1-CG1 4.22Å; I506-V622 HydrophobicContact CD1-CG2 4.48Å; Y586-V622 HydrophobicContact CD1-CB 4.43Å; Y586-V622 HydrophobicContact CD1-CG2 3.33Å; Y586-V622 HydrophobicContact CD2-CG2 4Å; Y586-V622 HydrophobicContact CE1-CG2 3.85Å; Y586-V622 HydrophobicContact CE2-CG2 4.47Å; Y586-V622 HydrophobicContact CG-CG2 3.39Å; I618-V622 HydrophobicContact CG2-CG2 4.44Å; I618-V622 WeakPolarHBondContact O-CG2 3.37Å; I618-V622 PolarHBondContact O-N 3.25Å; E619-V622 PolarHBondContact O-N 3.45Å; V622-Q624 VanDerWaalsContact C-N 3.34Å; V622-Q624 PolarHBondContact O-N 3.41Å; V622-S625 PolarHBondContact O-N 3.16Å; V622-L626 HydrophobicContact CG1-CD1 3.8Å; V622-L626 HydrophobicContact CG1-CG 4.43Å; V622-L626 WeakPolarHBondContact O-CG 3.47Å; V622-L626 PolarHBondContact O-N 3.37Å
623	R	93.8	Very high	91.4	Very high	123 Å²	123	82.8 Å²	82.8	46%	0.464	39%	0.387	S	S	.	.	H	α-helix	trans	-58.1	-45.9	-179.7	-177.2	176.1	64.3	91.6	-2	111.6	E619 D620 L626 I627	E619-R623 WeakPolarHBondContact O-CB 3.25Å; E619-R623 PolarHBondContact O-N 2.69Å; D620-R623 PolarHBondContact O-N 3.38Å; D620-R623 IonicContact OD1-CZ 3.82Å; D620-R623 IonicContact OD1-NE 3.78Å; D620-R623 PolarHBondContact OD1-NE 3.03Å; D620-R623 IonicContact OD1-NH2 3.8Å; D620-R623 PolarHBondContact OD1-NH2 2.86Å; R623-L626 PolarHBondContact O-N 3.32Å; R623-I627 HydrophobicContact CG-CD1 4.11Å; R623-I627 VanDerWaalsContact O-CG1 3.32Å; R623-I627 WeakPolarHBondContact O-CG1 3.1Å; R623-I627 PolarHBondContact O-N 2.97Å
624	Q	93.9	Very high	89.7	Confident	98 Å²	98	81 Å²	81	46%	0.458	38%	0.383	S	S	.	.	H	α-helix	trans	-63.4	-41.5	177.9	-72.3	177.1	22.4	0	0	112.4	D620 V622 L626 I627 R628	D620-Q624 VanDerWaalsContact O-CG 3.3Å; D620-Q624 WeakPolarHBondContact O-CG 2.93Å; D620-Q624 PolarHBondContact O-N 3.31Å; V622-Q624 VanDerWaalsContact C-N 3.34Å; V622-Q624 PolarHBondContact O-N 3.41Å; Q624-L626 PolarHBondContact O-N 2.01Å; Q624-I627 PolarHBondContact O-N 3.27Å; Q624-R628 WeakPolarHBondContact O-CG 3.35Å; Q624-R628 PolarHBondContact O-N 2.01Å
625	S	90.8	Very high	87.6	Confident	27 Å²	27	82 Å²	82	19%	0.189	40%	0.396	C	S	.	.	H	α-helix	trans	-64.1	-39.9	178	-175.9	0	0	0	0	112.6	Y586 A621 V622 R628 K629	Y586-S625 WeakPolarHBondContact OH-CB 3.36Å; Y586-S625 PolarHBondContact OH-OG 3.3Å; A621-S625 WeakPolarHBondContact O-CB 3.3Å; A621-S625 PolarHBondContact O-N 3.08Å; A621-S625 VanDerWaalsContact O-N 3.1Å; V622-S625 PolarHBondContact O-N 3.16Å; S625-R628 PolarHBondContact O-N 3.38Å; S625-K629 WeakPolarHBondContact O-CG 2.96Å; S625-K629 PolarHBondContact O-N 2.9Å
626	L	88.5	Confident	85.7	Confident	55 Å²	55	87.9 Å²	87.9	29%	0.288	44%	0.437	S	S	.	.	H	α-helix	trans	-69	-34.5	176.2	-67.5	171.8	0	0	0	112.9	Q325 V622 R623 Q624 R630	Q325-L626 VanDerWaalsContact CD-CD1 3.42Å; Q325-L626 HydrophobicContact CG-CD1 3.79Å; V622-L626 HydrophobicContact CG1-CD1 3.8Å; V622-L626 HydrophobicContact CG1-CG 4.43Å; V622-L626 WeakPolarHBondContact O-CG 3.47Å; V622-L626 PolarHBondContact O-N 3.37Å; R623-L626 PolarHBondContact O-N 3.32Å; Q624-L626 PolarHBondContact O-N 2.01Å; L626-R630 PolarHBondContact O-N 2.84Å; L626-R630 VanDerWaalsContact O-N 3.12Å
627	I	89.5	Confident	83.8	Confident	74 Å²	74	90.8 Å²	90.8	38%	0.379	45%	0.447	S	S	.	.	H	α-helix	trans	-64.1	-47.8	172.9	-69.1	165.6	0	0	0	110.1	R623 Q624 K629 R630 E631	R623-I627 HydrophobicContact CG-CD1 4.11Å; R623-I627 VanDerWaalsContact O-CG1 3.32Å; R623-I627 WeakPolarHBondContact O-CG1 3.1Å; R623-I627 PolarHBondContact O-N 2.97Å; Q624-I627 PolarHBondContact O-N 3.27Å; I627-K629 PolarHBondContact O-N 3.26Å; I627-R630 WeakPolarHBondContact O-CB 3.37Å; I627-R630 PolarHBondContact O-N 3.12Å; I627-E631 HydrophobicContact CG2-CG 4.43Å; I627-E631 WeakPolarHBondContact CG2-OE1 3.33Å; I627-E631 WeakPolarHBondContact O-CG 3.46Å; I627-E631 PolarHBondContact O-N 3.2Å
628	R	88.8	Confident	81.8	Confident	150 Å²	150	90 Å²	90	57%	0.566	45%	0.451	S	S	*	.	H	α-helix	trans	-58.7	-45.9	177.8	-70.4	177.9	-171.2	-179.6	3.4	112.5	Q624 S625 R630 E631 E632	Q624-R628 WeakPolarHBondContact O-CG 3.35Å; Q624-R628 PolarHBondContact O-N 2.01Å; S625-R628 PolarHBondContact O-N 3.38Å; R628-R630 PolarHBondContact O-N 3.13Å; R628-E631 PolarHBondContact O-N 3.03Å; R628-E631 VanDerWaalsContact O-N 3.14Å; R628-E632 WeakPolarHBondContact O-CG 3.41Å; R628-E632 PolarHBondContact O-N 2.88Å
629	K	84.4	Confident	79.8	Confident	89 Å²	89	94.4 Å²	94.4	39%	0.387	48%	0.475	S	S	.	.	H	α-helix	trans	-60.3	-32.6	175	-75.7	-172.8	176.8	-170.4	0	113.2	S625 I627 N633	S625-K629 WeakPolarHBondContact O-CG 2.96Å; S625-K629 PolarHBondContact O-N 2.9Å; I627-K629 PolarHBondContact O-N 3.26Å; K629-N633 PolarHBondContact O-N 3.24Å; K629-N633 PolarHBondContact O-ND2 2.9Å
630	R	83.7	Confident	77.9	Confident	199 Å²	199	97.2 Å²	97.2	75%	0.751	49%	0.488	S	S	*	.	H	α-helix	trans	-72.1	-42.2	175.6	179.5	-179.3	-102.2	-167.5	-6.8	110.8	L626 I627 R628 N633 I634	L626-R630 PolarHBondContact O-N 2.84Å; L626-R630 VanDerWaalsContact O-N 3.12Å; I627-R630 WeakPolarHBondContact O-CB 3.37Å; I627-R630 PolarHBondContact O-N 3.12Å; R628-R630 PolarHBondContact O-N 3.13Å; R630-N633 PolarHBondContact O-N 3.07Å; R630-I634 WeakPolarHBondContact O-CG1 3.22Å; R630-I634 PolarHBondContact O-N 3.44Å
631	E	84.8	Confident	75.7	Confident	118 Å²	118	98.1 Å²	98.1	55%	0.551	49%	0.492	S	S	*	.	H	α-helix	trans	-64.7	-40.6	178.8	-71.1	170.8	172.3	0	0	112.3	I627 R628 N633 I634	I627-E631 HydrophobicContact CG2-CG 4.43Å; I627-E631 WeakPolarHBondContact CG2-OE1 3.33Å; I627-E631 WeakPolarHBondContact O-CG 3.46Å; I627-E631 PolarHBondContact O-N 3.2Å; R628-E631 PolarHBondContact O-N 3.03Å; R628-E631 VanDerWaalsContact O-N 3.14Å; E631-N633 PolarHBondContact O-N 3.22Å; E631-I634 PolarHBondContact O-N 2.99Å
632	E	80.1	Confident	73.7	Confident	155 Å²	155	98.6 Å²	98.6	72%	0.724	49%	0.493	S	S	*	.	H	α-helix	trans	-65.4	-26.2	175.8	-72.3	171.3	-177	0	0	113.3	R628	R628-E632 WeakPolarHBondContact O-CG 3.41Å; R628-E632 PolarHBondContact O-N 2.88Å
633	N	73.3	Confident	71.7	Confident	134 Å²	134	102.9 Å²	102.9	72%	0.717	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-0	178	-77.1	-31.9	0	0	0	113.6	K629 R630 E631 P635	K629-N633 PolarHBondContact O-N 3.24Å; K629-N633 PolarHBondContact O-ND2 2.9Å; R630-N633 PolarHBondContact O-N 3.07Å; E631-N633 PolarHBondContact O-N 3.22Å; N633-P635 WeakPolarHBondContact O-CD 3.48Å
634	I	62.4	Low	69.8	Low	91 Å²	91	104 Å²	104	47%	0.467	53%	0.534	S	S	.	.	S	Bend	trans	-74.5	118.1	173.7	-58.4	175.7	0	0	0	107.2	R630 E631 S636	R630-I634 WeakPolarHBondContact O-CG1 3.22Å; R630-I634 PolarHBondContact O-N 3.44Å; E631-I634 PolarHBondContact O-N 2.99Å; I634-S636 PolarHBondContact O-N 3.13Å
635	P	53	Low	68.1	Low	72 Å²	72	106 Å²	106	47%	0.468	55%	0.547	S	S	.	.			trans	-56.6	125.5	179.3	-20.9	31	0	0	0	110.1	N633 N637	N633-P635 WeakPolarHBondContact O-CD 3.48Å; P635-N637 PolarHBondContact O-N 3.34Å
636	S	58.8	Low	66.8	Low	124 Å²	124	109 Å²	109	87%	0.867	56%	0.564	S	S	*	*	S	Bend	trans	-64.1	-5.1	179.2	-29.4	0	0	0	0	113.5	I634 V638	I634-S636 PolarHBondContact O-N 3.13Å; S636-V638 PolarHBondContact O-N 3.33Å
637	N	55.5	Low	65.1	Low	85 Å²	85	109.7 Å²	109.7	46%	0.455	59%	0.585	S	S	.	*			trans	-83.4	96.5	-178.7	-156.1	-2.8	0	0	0	109.3	P635 N639 E640	P635-N637 PolarHBondContact O-N 3.34Å; N637-N639 PolarHBondContact O-N 3.27Å; N637-N639 WeakPolarHBondContact OD1-CB 2.88Å; N637-E640 PolarHBondContact O-N 3.42Å
638	V	56	Low	63.3	Low	118 Å²	118	110.5 Å²	110.5	72%	0.715	59%	0.59	S	S	*	*	H	α-helix	trans	-49.1	-25.5	172.7	179	0	0	0	0	111.6	S636 L641 S642	S636-V638 PolarHBondContact O-N 3.33Å; V638-L641 PolarHBondContact O-N 2.87Å; V638-S642 PolarHBondContact O-N 3.45Å
639	N	56.5	Low	61.6	Low	107 Å²	107	108.7 Å²	108.7	57%	0.572	60%	0.597	S	S	*	*	H	α-helix	trans	-70.3	-25.2	177.4	-64.6	-15.8	0	0	0	114.6	N637 S642 V643	N637-N639 PolarHBondContact O-N 3.27Å; N637-N639 WeakPolarHBondContact OD1-CB 2.88Å; N639-S642 PolarHBondContact O-OG 3.43Å; N639-V643 VanDerWaalsContact O-CG2 3.25Å; N639-V643 WeakPolarHBondContact O-CG2 3.38Å
640	E	54.9	Low	60.1	Low	109 Å²	109	112.1 Å²	112.1	51%	0.509	62%	0.615	S	S	.	*	H	α-helix	trans	-80.3	-31.5	174.6	-80.4	-174	162.4	0	0	111.8	N637 V643 L644	N637-E640 PolarHBondContact O-N 3.42Å; E640-V643 PolarHBondContact O-N 2.82Å; E640-L644 PolarHBondContact O-N 2.82Å; E640-L644 VanDerWaalsContact O-N 3.1Å
641	L	49.5	Very low	58.5	Low	92 Å²	92	106.4 Å²	106.4	48%	0.482	61%	0.61	S	S	.	*	H	α-helix	trans	-71.2	-34.2	178.8	-135.4	99.2	0	0	0	111.9	V638 L645	V638-L641 PolarHBondContact O-N 2.87Å; L641-L645 HydrophobicContact CD2-CD1 4.3Å; L641-L645 WeakPolarHBondContact O-CB 3.43Å; L641-L645 WeakPolarHBondContact O-CG 3.22Å; L641-L645 PolarHBondContact O-N 2.85Å
642	S	54.7	Low	56.6	Low	48 Å²	48	108.1 Å²	108.1	34%	0.336	62%	0.622	S	S	.	*	H	α-helix	trans	-66.1	-43	173.1	59	0	0	0	0	111.2	V638 N639 L644 L645 T646	V638-S642 PolarHBondContact O-N 3.45Å; N639-S642 PolarHBondContact O-OG 3.43Å; S642-L644 VanDerWaalsContact C-N 3.34Å; S642-L644 PolarHBondContact O-N 2.83Å; S642-L645 PolarHBondContact O-N 2Å; S642-L645 VanDerWaalsContact O-N 3.16Å; S642-T646 PolarHBondContact O-N 3.24Å; S642-T646 PolarHBondContact O-OG1 3.29Å
643	V	53.9	Low	54.6	Low	92 Å²	92	108 Å²	108	56%	0.558	65%	0.648	S	S	*	*	H	α-helix	trans	-62.1	-39.5	178.3	173	0	0	0	0	112.1	N639 E640 L645 G647	N639-V643 VanDerWaalsContact O-CG2 3.25Å; N639-V643 WeakPolarHBondContact O-CG2 3.38Å; E640-V643 PolarHBondContact O-N 2.82Å; V643-L645 VanDerWaalsContact C-N 3.35Å; V643-G647 PolarHBondContact O-N 3.23Å
644	L	53.2	Low	53.7	Low	148 Å²	148	106.8 Å²	106.8	78%	0.775	65%	0.645	S	S	*	*	H	α-helix	trans	-68.7	-30.3	176	-86.2	162.4	0	0	0	113.7	E640 S642	E640-L644 PolarHBondContact O-N 2.82Å; E640-L644 VanDerWaalsContact O-N 3.1Å; S642-L644 VanDerWaalsContact C-N 3.34Å; S642-L644 PolarHBondContact O-N 2.83Å
645	L	57.7	Low	53.3	Low	140 Å²	140	107.6 Å²	107.6	73%	0.733	65%	0.654	S	S	*	*	H	α-helix	trans	-90.9	-31.9	-175.5	-74.2	170.9	0	0	0	113.5	L641 S642 V643	L641-L645 HydrophobicContact CD2-CD1 4.3Å; L641-L645 WeakPolarHBondContact O-CB 3.43Å; L641-L645 WeakPolarHBondContact O-CG 3.22Å; L641-L645 PolarHBondContact O-N 2.85Å; S642-L645 PolarHBondContact O-N 2Å; S642-L645 VanDerWaalsContact O-N 3.16Å; V643-L645 VanDerWaalsContact C-N 3.35Å
646	T	63.4	Low	53.3	Low	89 Å²	89	109.6 Å²	109.6	55%	0.546	67%	0.665	S	S	.	*	H	α-helix	trans	-96.1	-17	-178.4	59.5	0	0	0	0	113.5	S642 D648	S642-T646 PolarHBondContact O-N 3.24Å; S642-T646 PolarHBondContact O-OG1 3.29Å; T646-D648 PolarHBondContact O-N 2.83Å
647	G	53.6	Low	52.9	Low	70 Å²	70	108.7 Å²	108.7	72%	0.722	65%	0.653	S	S	*	*			trans	58.4	10.4	174	0	0	0	0	0	115	V643	V643-G647 PolarHBondContact O-N 3.23Å
648	D	50.5	Low	52.8	Low	91 Å²	91	110.2 Å²	110.2	49%	0.487	67%	0.665	S	S	.	*			trans	-132.5	107	-171.3	-164.3	-10.3	0	0	0	109.3	T646 E650	T646-D648 PolarHBondContact O-N 2.83Å; D648-E650 PolarHBondContact O-N 2.87Å; D648-E650 PolarHBondContact OD1-N 2.91Å
649	P	53.8	Low	52.6	Low	112 Å²	112	109.7 Å²	109.7	73%	0.727	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-70.8	-13.6	179.5	25.7	-30	0	0	0	113.6
650	E	53.7	Low	52.3	Low	160 Å²	160	109.9 Å²	109.9	75%	0.748	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-84.4	-11.4	-177.9	-76.9	-170.8	165.5	0	0	114.5	D648 L652 A653	D648-E650 PolarHBondContact O-N 2.87Å; D648-E650 PolarHBondContact OD1-N 2.91Å; E650-L652 PolarHBondContact O-N 2.9Å; E650-A653 PolarHBondContact O-N 3.08Å
651	A	49.6	Very low	52.1	Low	79 Å²	79	109.9 Å²	109.9	65%	0.653	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-69	2.8	174.7	0	0	0	0	0	114
652	L	44.1	Very low	52.3	Low	154 Å²	154	111.4 Å²	111.4	81%	0.806	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-99.6	-8.8	179.5	-138.4	99.2	0	0	0	114.4	E650	E650-L652 PolarHBondContact O-N 2.9Å
653	A	39.5	Very low	52.1	Low	154 Å²	154	117.2 Å²	117.2	100%	1.273	73%	0.73	S	S	*	*			trans	-97.2	0	177.5	0	0	0	0	0	111	E650	E650-A653 PolarHBondContact O-N 3.08Å

Retrieved 653 of 653 residues in 162.1 ms (Link to these results)

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