A0A096MB08_POEFO Loading...

Large subunit GTPase 1 homolog

Functions as a GTPase. May act by mediating the release of NMD3 from the 60S ribosomal subunit after export into the cytoplasm during the 60S ribosomal subunit maturation.

AlphaFold DB , UniProt , Accession A0A096MB08, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 636 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.3	Very low	43.5	Very low	248 Å²	248	132.5 Å²	132.5	100%	1.222	86%	0.864	S	S	*	*				0	115.4	0	-57.1	-178.8	-174.5	0	0	106.1
2	G	38.7	Very low	44.4	Very low	77 Å²	77	132.9 Å²	132.9	79%	0.794	85%	0.852	S	S	*	*				89.6	125.9	78.9	0	0	0	0	0	109.3
3	K	39.8	Very low	45.3	Very low	212 Å²	212	126.4 Å²	126.4	92%	0.922	83%	0.825	S	S	*	*			cis	-146.8	157.2	11.5	-70.1	175	175.4	174.4	0	111.2
4	K	43.9	Very low	46.4	Very low	204 Å²	204	132.4 Å²	132.4	89%	0.887	82%	0.823	S	S	*	*			trans	-69	148.8	159.4	-73.5	178.3	174.1	177.6	0	110.8
5	K	38.1	Very low	47.4	Very low	214 Å²	214	127.1 Å²	127.1	93%	0.93	80%	0.797	S	S	*	*			trans	-137	136.8	138.1	-97.9	-166.9	174.7	-174.3	0	108.8
6	A	45.4	Very low	48	Very low	109 Å²	109	125.2 Å²	125.2	90%	0.901	78%	0.779	S	S	*	*			trans	-108.4	158.2	178.6	0	0	0	0	0	110.6
7	G	35.4	Very low	48.6	Very low	79 Å²	79	125.6 Å²	125.6	81%	0.814	77%	0.772	S	S	*	*			trans	164	105.1	177.2	0	0	0	0	0	106.9
8	G	48.7	Very low	49.3	Very low	88 Å²	88	126.4 Å²	126.4	91%	0.907	76%	0.762	S	S	*	*			cis	98.5	59.3	26.6	0	0	0	0	0	109.2
9	G	41.5	Very low	49.5	Very low	81 Å²	81	126.2 Å²	126.2	84%	0.835	75%	0.752	S	S	*	*			trans	-176	30.1	-169.3	0	0	0	0	0	115.1
10	A	53.9	Low	49.7	Very low	98 Å²	98	130.4 Å²	130.4	81%	0.81	75%	0.754	S	S	*	*			trans	-132	66.5	-179.4	0	0	0	0	0	110.8
11	G	56.6	Low	49.8	Very low	47 Å²	47	130 Å²	130	49%	0.485	75%	0.749	S	S	.	*	S	Bend	trans	-135	-72.4	-178.4	0	0	0	0	0	112.4	A15	G11-A15 WeakPolarHBondContact O-CB 3.35Å; G11-A15 PolarHBondContact O-N 3.07Å
12	L	54.8	Low	50.4	Low	138 Å²	138	124 Å²	124	72%	0.723	72%	0.718	S	S	*	*	H	α-helix	trans	-64.2	-51.7	-172.3	-102.3	75	0	0	0	114.4	R14 A15 L16	L12-R14 VanDerWaalsContact C-N 3.35Å; L12-R14 PolarHBondContact O-N 3.5Å; L12-A15 PolarHBondContact O-N 3.2Å; L12-A15 VanDerWaalsContact O-N 3.1Å; L12-L16 HydrophobicContact CB-CD1 4.41Å; L12-L16 WeakPolarHBondContact O-CB 3.26Å; L12-L16 WeakPolarHBondContact O-CG 3.36Å; L12-L16 PolarHBondContact O-N 3.12Å
13	G	56.2	Low	50.9	Low	48 Å²	48	123.8 Å²	123.8	50%	0.495	71%	0.708	S	S	.	*	H	α-helix	trans	-61	-39.7	-171.7	0	0	0	0	0	114	M17	G13-M17 WeakPolarHBondContact O-CG 3.46Å; G13-M17 PolarHBondContact O-N 2.75Å; G13-M17 VanDerWaalsContact O-N 3.09Å
14	R	60.6	Low	51.2	Low	211 Å²	211	117.3 Å²	117.3	80%	0.796	69%	0.69	S	S	*	*	H	α-helix	trans	-74.5	-33.9	174.5	-87.1	-176.4	169.5	-180	-3.5	112.7	L12 K18	L12-R14 VanDerWaalsContact C-N 3.35Å; L12-R14 PolarHBondContact O-N 3.5Å; R14-K18 WeakPolarHBondContact O-CB 3.42Å; R14-K18 PolarHBondContact O-N 3.5Å; R14-K18 VanDerWaalsContact O-N 3.09Å
15	A	60.5	Low	51.3	Low	53 Å²	53	118.3 Å²	118.3	44%	0.438	69%	0.688	S	S	.	*	H	α-helix	trans	-64.3	-50.7	173.4	0	0	0	0	0	110.9	G11 L12 M17 K18 E19	G11-A15 WeakPolarHBondContact O-CB 3.35Å; G11-A15 PolarHBondContact O-N 3.07Å; L12-A15 PolarHBondContact O-N 3.2Å; L12-A15 VanDerWaalsContact O-N 3.1Å; A15-M17 PolarHBondContact O-N 3.04Å; A15-K18 CarbonylContact O-C 3.55Å; A15-K18 WeakPolarHBondContact O-CA 3.32Å; A15-K18 PolarHBondContact O-N 3.41Å; A15-E19 WeakPolarHBondContact O-CB 3.34Å; A15-E19 PolarHBondContact O-N 2.9Å
16	L	57.1	Low	51.3	Low	96 Å²	96	110.2 Å²	110.2	50%	0.503	67%	0.666	S	S	.	*	H	α-helix	trans	-61	-38.5	177.9	-74.6	164.9	0	0	0	113.1	L12 R20	L12-L16 HydrophobicContact CB-CD1 4.41Å; L12-L16 WeakPolarHBondContact O-CB 3.26Å; L12-L16 WeakPolarHBondContact O-CG 3.36Å; L12-L16 PolarHBondContact O-N 3.12Å; L16-R20 VanDerWaalsContact O-CB 3.26Å; L16-R20 WeakPolarHBondContact O-CB 3.5Å; L16-R20 PolarHBondContact O-N 2.82Å
17	M	58.8	Low	51	Low	133 Å²	133	111.7 Å²	111.7	66%	0.655	66%	0.659	S	S	*	*	H	α-helix	trans	-63.4	-42.2	171.5	-76.3	-179.9	-172.7	0	0	111.8	G13 A15 R20 L21	G13-M17 WeakPolarHBondContact O-CG 3.46Å; G13-M17 PolarHBondContact O-N 2.75Å; G13-M17 VanDerWaalsContact O-N 3.09Å; A15-M17 PolarHBondContact O-N 3.04Å; M17-R20 PolarHBondContact O-N 3.1Å; M17-L21 WeakPolarHBondContact O-CB 3.32Å; M17-L21 WeakPolarHBondContact O-CD1 3.41Å; M17-L21 VanDerWaalsContact O-CG 3.25Å; M17-L21 WeakPolarHBondContact O-CG 3.46Å; M17-L21 PolarHBondContact O-N 3.3Å
18	K	60.8	Low	51.5	Low	139 Å²	139	118 Å²	118	60%	0.604	66%	0.664	S	S	*	*	H	α-helix	trans	-71.2	-37.9	-178.9	-157.3	177.1	-173.2	-174	0	111.8	R14 A15 L21 Q22	R14-K18 WeakPolarHBondContact O-CB 3.42Å; R14-K18 PolarHBondContact O-N 3.5Å; R14-K18 VanDerWaalsContact O-N 3.09Å; A15-K18 CarbonylContact O-C 3.55Å; A15-K18 WeakPolarHBondContact O-CA 3.32Å; A15-K18 PolarHBondContact O-N 3.41Å; K18-L21 PolarHBondContact O-N 2.77Å; K18-Q22 WeakPolarHBondContact O-CB 3.23Å; K18-Q22 VanDerWaalsContact O-CG 3.26Å; K18-Q22 WeakPolarHBondContact O-CG 3.48Å; K18-Q22 PolarHBondContact O-N 3.02Å
19	E	53.6	Low	51	Low	123 Å²	123	124.2 Å²	124.2	58%	0.575	66%	0.66	S	S	*	*	H	α-helix	trans	-65.2	-44	173.2	-174.3	174.9	-165.5	0	0	111.1	A15 L21 Q22 A23	A15-E19 WeakPolarHBondContact O-CB 3.34Å; A15-E19 PolarHBondContact O-N 2.9Å; E19-L21 VanDerWaalsContact C-N 3.34Å; E19-L21 PolarHBondContact O-N 3.44Å; E19-Q22 CarbonylContact O-C 3.56Å; E19-Q22 PolarHBondContact O-N 3.12Å; E19-Q22 VanDerWaalsContact O-N 3.12Å; E19-A23 WeakPolarHBondContact O-CB 3.46Å; E19-A23 PolarHBondContact O-N 3.39Å
20	R	54.2	Low	50.8	Low	210 Å²	210	125.7 Å²	125.7	79%	0.792	66%	0.657	S	S	*	*	H	α-helix	trans	-62.5	-39.3	173.2	-170.8	173.8	-178.4	172.7	0.7	112.5	L16 M17 Q22 S24	L16-R20 VanDerWaalsContact O-CB 3.26Å; L16-R20 WeakPolarHBondContact O-CB 3.5Å; L16-R20 PolarHBondContact O-N 2.82Å; M17-R20 PolarHBondContact O-N 3.1Å; R20-Q22 VanDerWaalsContact C-N 3.32Å; R20-S24 PolarHBondContact O-N 2.94Å; R20-S24 VanDerWaalsContact O-N 3.16Å
21	L	50.3	Low	50.1	Low	121 Å²	121	127.6 Å²	127.6	63%	0.634	65%	0.654	S	S	*	*	H	α-helix	trans	-69.8	-26.1	173.7	-73.9	164.6	0	0	0	113.3	M17 K18 E19	M17-L21 WeakPolarHBondContact O-CB 3.32Å; M17-L21 WeakPolarHBondContact O-CD1 3.41Å; M17-L21 VanDerWaalsContact O-CG 3.25Å; M17-L21 WeakPolarHBondContact O-CG 3.46Å; M17-L21 PolarHBondContact O-N 3.3Å; K18-L21 PolarHBondContact O-N 2.77Å; E19-L21 VanDerWaalsContact C-N 3.34Å; E19-L21 PolarHBondContact O-N 3.44Å
22	Q	48.8	Very low	49.3	Very low	123 Å²	123	129.5 Å²	129.5	58%	0.575	66%	0.66	S	S	*	*	H	α-helix	trans	-85.8	-34.6	175.6	-76.6	175.6	-45.1	0	0	112.3	K18 E19 R20 S24 R25 G26	K18-Q22 WeakPolarHBondContact O-CB 3.23Å; K18-Q22 VanDerWaalsContact O-CG 3.26Å; K18-Q22 WeakPolarHBondContact O-CG 3.48Å; K18-Q22 PolarHBondContact O-N 3.02Å; E19-Q22 CarbonylContact O-C 3.56Å; E19-Q22 PolarHBondContact O-N 3.12Å; E19-Q22 VanDerWaalsContact O-N 3.12Å; R20-Q22 VanDerWaalsContact C-N 3.32Å; Q22-S24 VanDerWaalsContact C-N 3.28Å; Q22-S24 PolarHBondContact O-N 2.77Å; Q22-R25 WeakPolarHBondContact O-CA 3.47Å; Q22-R25 WeakPolarHBondContact O-CB 3.49Å; Q22-R25 PolarHBondContact O-N 3.08Å; Q22-G26 PolarHBondContact O-N 3.45Å
23	A	49.2	Very low	48.9	Very low	72 Å²	72	128.3 Å²	128.3	60%	0.595	65%	0.646	S	S	*	*	H	α-helix	trans	-61.5	-37.3	170.7	0	0	0	0	0	111.4	E19 R25 G26	E19-A23 WeakPolarHBondContact O-CB 3.46Å; E19-A23 PolarHBondContact O-N 3.39Å; A23-R25 PolarHBondContact O-N 3.19Å; A23-R25 VanDerWaalsContact O-N 3.12Å; A23-G26 PolarHBondContact O-N 3.12Å
24	S	46.4	Very low	48.3	Very low	77 Å²	77	129.6 Å²	129.6	54%	0.538	64%	0.641	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.8	-11.6	170.3	-171.3	0	0	0	0	114.3	R20 Q22	R20-S24 PolarHBondContact O-N 2.94Å; R20-S24 VanDerWaalsContact O-N 3.16Å; Q22-S24 VanDerWaalsContact C-N 3.28Å; Q22-S24 PolarHBondContact O-N 2.77Å
25	R	46.1	Very low	47.7	Very low	224 Å²	224	121 Å²	121	85%	0.845	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	1.6	174.8	-66.4	-179.6	171.1	-168.5	-4.8	112.9	Q22 A23	Q22-R25 WeakPolarHBondContact O-CA 3.47Å; Q22-R25 WeakPolarHBondContact O-CB 3.49Å; Q22-R25 PolarHBondContact O-N 3.08Å; A23-R25 PolarHBondContact O-N 3.19Å; A23-R25 VanDerWaalsContact O-N 3.12Å
26	G	38.1	Very low	47	Very low	45 Å²	45	119.8 Å²	119.8	46%	0.464	60%	0.597	S	S	.	*	S	Bend	trans	-83.5	136.2	178.8	0	0	0	0	0	112.5	Q22 A23	Q22-G26 PolarHBondContact O-N 3.45Å; A23-G26 PolarHBondContact O-N 3.12Å
27	N	40.2	Very low	46.3	Very low	140 Å²	140	117.1 Å²	117.1	75%	0.749	59%	0.586	S	S	*	*			trans	56	76.8	175.3	-73.7	-1.2	0	0	0	116.7	R29	N27-R29 VanDerWaalsContact C-N 3.31Å; N27-R29 PolarHBondContact O-N 3.04Å; N27-R29 VanDerWaalsContact O-N 3.07Å
28	K	46.1	Very low	45.7	Very low	212 Å²	212	114.9 Å²	114.9	92%	0.922	57%	0.574	S	S	*	*			trans	-65.4	95	141.1	-76.5	-168.1	171.9	-165.8	0	108.5
29	R	38.2	Very low	44.9	Very low	217 Å²	217	115.5 Å²	115.5	82%	0.819	58%	0.583	S	S	*	*			trans	-73.7	143	157.4	-85.8	-171.3	170.7	-172.8	-3.3	108.5	N27 D31	N27-R29 VanDerWaalsContact C-N 3.31Å; N27-R29 PolarHBondContact O-N 3.04Å; N27-R29 VanDerWaalsContact O-N 3.07Å; R29-D31 VanDerWaalsContact C-N 3.26Å; R29-D31 PolarHBondContact O-N 3.04Å; R29-D31 VanDerWaalsContact O-N 3.14Å
30	S	37.7	Very low	44.2	Very low	112 Å²	112	115 Å²	115	78%	0.783	59%	0.585	S	S	*	*			trans	-87.6	47.4	-170	-174.1	0	0	0	0	113.1	S32	S30-S32 PolarHBondContact O-N 3.28Å
31	D	37.7	Very low	43.7	Very low	139 Å²	139	109.8 Å²	109.8	74%	0.743	57%	0.572	S	S	*	*			trans	-84.5	74.1	166.6	-70.6	-15.8	0	0	0	107.8	R29 W33	R29-D31 VanDerWaalsContact C-N 3.26Å; R29-D31 PolarHBondContact O-N 3.04Å; R29-D31 VanDerWaalsContact O-N 3.14Å; D31-W33 VanDerWaalsContact C-N 3.28Å; D31-W33 PolarHBondContact O-N 3.47Å
32	S	39.9	Very low	43.3	Very low	87 Å²	87	107.6 Å²	107.6	61%	0.608	58%	0.579	S	S	*	*			trans	-80.7	69.4	-171.9	-177.2	0	0	0	0	112	S30 L34	S30-S32 PolarHBondContact O-N 3.28Å; S32-L34 VanDerWaalsContact C-N 3.26Å; S32-L34 PolarHBondContact O-N 2.71Å
33	W	46.6	Very low	43	Very low	112 Å²	112	108.9 Å²	108.9	42%	0.424	58%	0.58	S	S	.	*			trans	-70.8	89	162.1	-76.1	46.8	0	0	0	108.3	D31 T36 R173	D31-W33 VanDerWaalsContact C-N 3.28Å; D31-W33 PolarHBondContact O-N 3.47Å; W33-T36 HydrophobicContact CB-CG2 3.92Å; W33-T36 WeakPolarHBondContact CB-OG1 3.19Å; W33-T36 HydrophobicContact CE3-CG2 4.06Å; W33-T36 PolarHBondContact O-N 3.13Å; W33-T36 PolarHBondContact O-OG1 2.98Å; W33-R173 HydrophobicContact CH2-CG 4.44Å; W33-R173 HydrophobicContact CZ3-CG 3.8Å
34	L	43.6	Very low	42.6	Very low	75 Å²	75	109.8 Å²	109.8	39%	0.393	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-47.8	144.1	174.2	-77.4	157.1	0	0	0	110.1	S32 T36 W119 E121	S32-L34 VanDerWaalsContact C-N 3.26Å; S32-L34 PolarHBondContact O-N 2.71Å; L34-T36 PolarHBondContact O-N 3.19Å; L34-W119 HydrophobicContact CB-CZ3 4.15Å; L34-W119 WeakPolarHBondContact O-CH2 3.33Å; L34-E121 HydrophobicContact CD1-CB 4.24Å; L34-E121 HydrophobicContact CD1-CG 3.99Å
35	H	47.8	Very low	42.6	Very low	30 Å²	30	108.6 Å²	108.6	14%	0.139	56%	0.558	C	S	.	*	T	Hydrogen-bonded Turn	trans	57.7	11.1	-179.8	-54.9	-77.7	0	0	0	117.1	R116 W119 T123 L128	H35-R116 PolarHBondContact O-NH2 3.31Å; H35-W119 HydrophobicContact CB-CD2 4.04Å; H35-W119 HydrophobicContact CB-CE3 3.97Å; H35-W119 HydrophobicContact CB-CH2 4.11Å; H35-W119 HydrophobicContact CB-CZ2 4.16Å; H35-W119 HydrophobicContact CB-CZ3 4.03Å; H35-W119 AromaticContact CD2-CE3 3.32Å; H35-W119 AromaticContact CD2-CZ3 3.45Å; H35-W119 VanDerWaalsContact CD2-CZ3 3.45Å; H35-W119 WeakPolarHBondContact CD2-CZ3 3.24Å; H35-W119 AromaticContact CG-CE3 3.81Å; H35-T123 PolarHBondContact CE1-O 2.92Å; H35-T123 PolarHBondContact NE2-O 2.85Å; H35-T123 VanDerWaalsContact NE2-O 3.07Å; H35-L128 HydrophobicContact CB-CD2 3.57Å; H35-L128 WeakPolarHBondContact ND1-CD2 3.35Å
36	T	46.2	Very low	42.6	Very low	28 Å²	28	101.2 Å²	101.2	17%	0.172	55%	0.552	C	S	.	*			trans	-97.8	123.1	166.4	70.3	0	0	0	0	111.4	W33 L34 E38	W33-T36 HydrophobicContact CB-CG2 3.92Å; W33-T36 WeakPolarHBondContact CB-OG1 3.19Å; W33-T36 HydrophobicContact CE3-CG2 4.06Å; W33-T36 PolarHBondContact O-N 3.13Å; W33-T36 PolarHBondContact O-OG1 2.98Å; L34-T36 PolarHBondContact O-N 3.19Å; T36-E38 PolarHBondContact O-N 3.47Å
37	S	42.2	Very low	42.7	Very low	40 Å²	40	108.3 Å²	108.3	28%	0.28	57%	0.565	S	S	.	*			trans	-76.6	64.6	174.1	-33.8	0	0	0	0	110.2	R169	S37-R169 PolarHBondContact OG-NH2 2.74Å
38	E	46.3	Very low	43.2	Very low	87 Å²	87	104.9 Å²	104.9	41%	0.407	55%	0.546	S	S	.	.			trans	-61.3	160.3	174.4	-80.9	-102.9	126.5	0	0	111.4	T36 N40 D41 R173	T36-E38 PolarHBondContact O-N 3.47Å; E38-N40 PolarHBondContact O-N 2.96Å; E38-D41 PolarHBondContact O-N 3.27Å; E38-R173 IonicContact OE1-CZ 2.77Å; E38-R173 IonicContact OE1-NH1 3.65Å; E38-R173 PolarHBondContact OE1-NH1 3.44Å; E38-R173 IonicContact OE1-NH2 2.71Å; E38-R173 PolarHBondContact OE1-NH2 3.5Å
39	L	43.5	Very low	43.7	Very low	151 Å²	151	101.7 Å²	101.7	79%	0.791	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	5.5	-168.3	-83.9	151.4	0	0	0	117.7
40	N	40.1	Very low	44.9	Very low	113 Å²	113	92 Å²	92	60%	0.604	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.6	26.1	-176.7	-142	8.4	0	0	0	113.5	E38 G42	E38-N40 PolarHBondContact O-N 2.96Å; N40-G42 PolarHBondContact O-N 2.89Å
41	D	43	Very low	46.3	Very low	100 Å²	100	93.3 Å²	93.3	54%	0.535	50%	0.497	S	S	.	.	S	Bend	trans	-66.6	17.5	175.5	-156.8	15	0	0	0	114.1	E38 Y43	E38-D41 PolarHBondContact O-N 3.27Å; D41-Y43 PolarHBondContact O-N 2.98Å
42	G	41.4	Very low	48.2	Very low	75 Å²	75	88 Å²	88	77%	0.773	47%	0.471	S	S	*	.	S	Bend	trans	66.4	-17.6	-171.9	0	0	0	0	0	115.2	N40 D44	N40-G42 PolarHBondContact O-N 2.89Å; G42-D44 PolarHBondContact O-N 3.14Å
43	Y	43	Very low	49.9	Very low	151 Å²	151	85.4 Å²	85.4	59%	0.592	45%	0.451	S	S	*	.			trans	-77.2	114.9	175.6	-120.1	-90.7	0	0	0	110.7	D41 W45 L48	D41-Y43 PolarHBondContact O-N 2.98Å; Y43-W45 PolarHBondContact O-N 2.94Å; Y43-L48 HydrophobicContact CD1-CD1 3.74Å; Y43-L48 HydrophobicContact CD1-CG 4.31Å; Y43-L48 HydrophobicContact CE1-CD1 3.74Å; Y43-L48 HydrophobicContact CE1-CD2 4.3Å; Y43-L48 HydrophobicContact CE1-CG 4.11Å
44	D	40.8	Very low	51	Low	90 Å²	90	81.6 Å²	81.6	48%	0.481	44%	0.441	S	S	.	.			trans	-76.1	75	-179.8	-156.9	-1.2	0	0	0	108.7	G42 G46 R47	G42-D44 PolarHBondContact O-N 3.14Å; D44-G46 PolarHBondContact O-N 2.88Å; D44-R47 HydrophobicContact CB-CG 4.13Å; D44-R47 WeakPolarHBondContact O-CB 3.46Å; D44-R47 PolarHBondContact O-N 3.07Å; D44-R47 IonicContact OD2-CZ 2.75Å; D44-R47 IonicContact OD2-NE 3.41Å; D44-R47 PolarHBondContact OD2-NE 3.16Å; D44-R47 IonicContact OD2-NH2 3.5Å; D44-R47 PolarHBondContact OD2-NH2 3.44Å
45	W	45.6	Very low	52.4	Low	52 Å²	52	82.8 Å²	82.8	20%	0.197	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-54	-26.6	-170	-76.5	97.9	0	0	0	114.1	Y43 R47 L48 L50 E162 H401	Y43-W45 PolarHBondContact O-N 2.94Å; W45-R47 PolarHBondContact O-N 2.99Å; W45-L48 HydrophobicContact CD2-CD1 4.39Å; W45-L48 HydrophobicContact CE3-CD1 3.64Å; W45-L48 HydrophobicContact CH2-CD1 4.5Å; W45-L48 HydrophobicContact CZ3-CD1 3.71Å; W45-L48 PolarHBondContact O-N 3.38Å; W45-L50 HydrophobicContact CE3-CD1 4.08Å; W45-L50 HydrophobicContact CZ3-CD1 4.12Å; W45-E162 HydrophobicContact CH2-CG 4.34Å; W45-E162 HydrophobicContact CZ3-CG 4.01Å; W45-H401 PolarHBondContact O-CE1 3.15Å
46	G	46.1	Very low	53.5	Low	70 Å²	70	84.5 Å²	84.5	72%	0.722	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-68.7	-5.8	172.2	0	0	0	0	0	115.2	D44	D44-G46 PolarHBondContact O-N 2.88Å
47	R	42	Very low	54.8	Low	193 Å²	193	85.9 Å²	85.9	73%	0.728	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-99.7	-22.4	171.5	-59.1	-167.4	-165.4	-164	10	113.9	D44 W45 N49	D44-R47 HydrophobicContact CB-CG 4.13Å; D44-R47 WeakPolarHBondContact O-CB 3.46Å; D44-R47 PolarHBondContact O-N 3.07Å; D44-R47 IonicContact OD2-CZ 2.75Å; D44-R47 IonicContact OD2-NE 3.41Å; D44-R47 PolarHBondContact OD2-NE 3.16Å; D44-R47 IonicContact OD2-NH2 3.5Å; D44-R47 PolarHBondContact OD2-NH2 3.44Å; W45-R47 PolarHBondContact O-N 2.99Å; R47-N49 PolarHBondContact O-N 3.09Å; R47-N49 VanDerWaalsContact O-N 3.17Å
48	L	49.8	Very low	56.3	Low	69 Å²	69	89.2 Å²	89.2	36%	0.361	49%	0.486	S	S	.	.	S	Bend	trans	-70.4	111.8	170.1	-79.5	173	0	0	0	107.1	Y43 W45 L50	Y43-L48 HydrophobicContact CD1-CD1 3.74Å; Y43-L48 HydrophobicContact CD1-CG 4.31Å; Y43-L48 HydrophobicContact CE1-CD1 3.74Å; Y43-L48 HydrophobicContact CE1-CD2 4.3Å; Y43-L48 HydrophobicContact CE1-CG 4.11Å; W45-L48 HydrophobicContact CD2-CD1 4.39Å; W45-L48 HydrophobicContact CE3-CD1 3.64Å; W45-L48 HydrophobicContact CH2-CD1 4.5Å; W45-L48 HydrophobicContact CZ3-CD1 3.71Å; W45-L48 PolarHBondContact O-N 3.38Å; L48-L50 PolarHBondContact O-N 2.71Å
49	N	55.8	Low	57.5	Low	144 Å²	144	90.7 Å²	90.7	77%	0.77	50%	0.495	S	S	*	.			trans	-70.6	66.8	170.3	-85.1	-29.7	0	0	0	109.7	R47 Q51	R47-N49 PolarHBondContact O-N 3.09Å; R47-N49 VanDerWaalsContact O-N 3.17Å; N49-Q51 PolarHBondContact O-N 3.09Å; N49-Q51 VanDerWaalsContact O-N 3.08Å
50	L	63.5	Low	59.2	Low	15 Å²	15	87.3 Å²	87.3	8%	0.079	48%	0.478	C	S	.	.			trans	-56.5	118.1	170.3	-87.2	166	0	0	0	107.9	W45 L48 E162 F163 K400	W45-L50 HydrophobicContact CE3-CD1 4.08Å; W45-L50 HydrophobicContact CZ3-CD1 4.12Å; L48-L50 PolarHBondContact O-N 2.71Å; L50-E162 HydrophobicContact CD1-CG 4.19Å; L50-E162 HydrophobicContact CD2-CB 3.79Å; L50-E162 HydrophobicContact CD2-CG 3.78Å; L50-F163 HydrophobicContact CB-CE2 4.45Å; L50-F163 HydrophobicContact CD2-CE2 4.25Å; L50-K400 VanDerWaalsContact O-CD 3.26Å; L50-K400 WeakPolarHBondContact O-CD 3.4Å; L50-K400 VanDerWaalsContact O-CE 3.24Å; L50-K400 WeakPolarHBondContact O-CE 3.25Å; L50-K400 PolarHBondContact O-NZ 2.73Å
51	Q	68.7	Low	61	Low	138 Å²	138	83.8 Å²	83.8	65%	0.645	46%	0.459	S	S	*	.			trans	-121.2	131.5	179.8	-175.9	164.8	-12.7	0	0	106.6	N49 N160 F163	N49-Q51 PolarHBondContact O-N 3.09Å; N49-Q51 VanDerWaalsContact O-N 3.08Å; Q51-N160 PolarHBondContact O-ND2 3.06Å; Q51-F163 WeakPolarHBondContact O-CE2 3.37Å
52	S	75.6	Confident	62.6	Low	27 Å²	27	84 Å²	84	19%	0.189	46%	0.455	C	S	.	.			trans	-71	135.9	171	171.7	0	0	0	0	108.4	E158	S52-E158 WeakPolarHBondContact CA-OE2 3.13Å; S52-E158 WeakPolarHBondContact CB-OE2 3.3Å; S52-E158 PolarHBondContact OG-OE2 2.83Å
53	V	76.1	Confident	64.3	Low	33 Å²	33	85 Å²	85	20%	0.2	44%	0.442	C	S	.	.			trans	-127.1	86	-172.2	-177	0	0	0	0	108.3	Q56 E158 R159	V53-Q56 HydrophobicContact CG1-CG 3.42Å; V53-Q56 VanDerWaalsContact CG1-CG 3.42Å; V53-E158 PolarHBondContact N-OE1 2.9Å; V53-E158 PolarHBondContact N-OE2 3.45Å; V53-E158 VanDerWaalsContact N-OE2 3.11Å; V53-R159 HydrophobicContact CG1-CB 4.34Å; V53-R159 PolarHBondContact O-N 3.1Å
54	T	71.1	Confident	66	Low	32 Å²	32	79.1 Å²	79.1	20%	0.196	42%	0.424	C	S	.	.	S	Bend	trans	-101.5	-31.9	-176.9	55.2	0	0	0	0	113.3	P156 V420	T54-P156 VanDerWaalsContact CB-O 3.25Å; T54-P156 WeakPolarHBondContact CB-O 3.38Å; T54-P156 WeakPolarHBondContact CG2-O 3.37Å; T54-P156 VanDerWaalsContact O-CB 3.28Å; T54-P156 WeakPolarHBondContact O-CB 3.42Å; T54-V420 HydrophobicContact CG2-CB 4.46Å; T54-V420 HydrophobicContact CG2-CG2 4.13Å
55	E	71.9	Confident	67.8	Low	100 Å²	100	76.7 Å²	76.7	47%	0.467	41%	0.413	S	S	.	.			trans	-126.3	132.4	169.5	-59.4	-156.9	148.6	0	0	110.4	P156 K428 L437	E55-P156 HydrophobicContact CG-CB 4.03Å; E55-K428 IonicContact OE1-NZ 2.78Å; E55-K428 PolarHBondContact OE1-NZ 2.93Å; E55-K428 IonicContact OE2-NZ 2.88Å; E55-K428 PolarHBondContact OE2-NZ 3.09Å; E55-L437 HydrophobicContact CG-CD2 3.83Å; E55-L437 WeakPolarHBondContact OE1-CD1 3.35Å; E55-L437 VanDerWaalsContact OE1-CD2 3.27Å; E55-L437 WeakPolarHBondContact OE1-CD2 3.48Å
56	Q	70.2	Confident	69.4	Low	67 Å²	67	74.7 Å²	74.7	31%	0.313	41%	0.407	S	S	.	.			trans	-131	160.5	173.6	-80.2	-175	-52.1	0	0	110.5	V53 D60 D61	V53-Q56 HydrophobicContact CG1-CG 3.42Å; V53-Q56 VanDerWaalsContact CG1-CG 3.42Å; Q56-D60 HydrophobicContact CB-CB 4.24Å; Q56-D60 HydrophobicContact CG-CB 4.38Å; Q56-D61 HydrophobicContact CB-CB 4.2Å
57	S	75.1	Confident	71.1	Confident	57 Å²	57	79.1 Å²	79.1	40%	0.399	41%	0.41	S	S	.	.			trans	-71.8	155.4	163.2	82.6	0	0	0	0	109.8	M59 D60 D61	S57-M59 PolarHBondContact O-N 3.38Å; S57-M59 VanDerWaalsContact O-N 3.12Å; S57-M59 PolarHBondContact OG-N 2.75Å; S57-D60 VanDerWaalsContact CB-OD2 3.27Å; S57-D60 WeakPolarHBondContact CB-OD2 3.44Å; S57-D60 PolarHBondContact N-OD2 3.26Å; S57-D60 PolarHBondContact O-N 3.07Å; S57-D60 VanDerWaalsContact O-N 3.09Å; S57-D60 PolarHBondContact OG-N 2.71Å; S57-D60 PolarHBondContact OG-OD2 2.94Å; S57-D61 WeakPolarHBondContact O-CB 3.45Å; S57-D61 PolarHBondContact O-N 3.33Å
58	S	72.9	Confident	72.8	Confident	109 Å²	109	71.7 Å²	71.7	76%	0.762	38%	0.384	S	S	*	.	H	α-helix	trans	-58.7	-25.3	177.3	51.2	0	0	0	0	113.5	F62	S58-F62 WeakPolarHBondContact O-CB 3.45Å; S58-F62 PolarHBondContact O-N 3.31Å
59	M	72.1	Confident	74.1	Confident	119 Å²	119	70.3 Å²	70.3	59%	0.586	38%	0.382	S	S	*	.	H	α-helix	trans	-73.6	-47.7	173.5	-176.2	63.8	69.2	0	0	111.6	S57 D61 F62 L63	S57-M59 PolarHBondContact O-N 3.38Å; S57-M59 VanDerWaalsContact O-N 3.12Å; S57-M59 PolarHBondContact OG-N 2.75Å; M59-D61 VanDerWaalsContact C-N 3.29Å; M59-D61 PolarHBondContact O-N 3.29Å; M59-F62 PolarHBondContact O-N 3.4Å; M59-L63 HydrophobicContact CG-CD1 4.19Å; M59-L63 WeakPolarHBondContact O-CG 3.43Å; M59-L63 PolarHBondContact O-N 3.11Å
60	D	77.9	Confident	74.9	Confident	80 Å²	80	66.7 Å²	66.7	43%	0.428	38%	0.379	S	S	.	.	H	α-helix	trans	-65.8	-37.1	-179.1	-51.7	-51.5	0	0	0	111.1	Q56 S57 L63 A64	Q56-D60 HydrophobicContact CB-CB 4.24Å; Q56-D60 HydrophobicContact CG-CB 4.38Å; S57-D60 VanDerWaalsContact CB-OD2 3.27Å; S57-D60 WeakPolarHBondContact CB-OD2 3.44Å; S57-D60 PolarHBondContact N-OD2 3.26Å; S57-D60 PolarHBondContact O-N 3.07Å; S57-D60 VanDerWaalsContact O-N 3.09Å; S57-D60 PolarHBondContact OG-N 2.71Å; S57-D60 PolarHBondContact OG-OD2 2.94Å; D60-L63 PolarHBondContact O-N 3.13Å; D60-A64 WeakPolarHBondContact O-CB 3.42Å; D60-A64 PolarHBondContact O-N 3.39Å
61	D	78	Confident	75.5	Confident	39 Å²	39	69 Å²	69	21%	0.209	39%	0.394	C	S	.	.	H	α-helix	trans	-66.3	-40.5	176.9	-167	44.7	0	0	0	112.2	Q56 S57 M59 T65 R140 R159	Q56-D61 HydrophobicContact CB-CB 4.2Å; S57-D61 WeakPolarHBondContact O-CB 3.45Å; S57-D61 PolarHBondContact O-N 3.33Å; M59-D61 VanDerWaalsContact C-N 3.29Å; M59-D61 PolarHBondContact O-N 3.29Å; D61-T65 WeakPolarHBondContact O-CB 3.25Å; D61-T65 PolarHBondContact O-N 2.85Å; D61-T65 PolarHBondContact O-OG1 3.33Å; D61-R140 IonicContact OD1-CZ 3.84Å; D61-R140 IonicContact OD1-NH2 3.65Å; D61-R140 PolarHBondContact OD1-NH2 2.9Å; D61-R159 WeakPolarHBondContact OD1-CD 3.07Å; D61-R159 IonicContact OD1-CZ 3.63Å; D61-R159 IonicContact OD1-NE 2.74Å; D61-R159 IonicContact OD1-NH1 3.76Å; D61-R159 PolarHBondContact OD1-NH1 3.49Å; D61-R159 IonicContact OD2-CZ 2.94Å; D61-R159 IonicContact OD2-NH1 3.34Å; D61-R159 PolarHBondContact OD2-NH1 2.95Å
62	F	77	Confident	75	Confident	103 Å²	103	71.9 Å²	71.9	45%	0.452	41%	0.407	S	S	.	.	H	α-helix	trans	-63	-48.1	172.2	174.9	-97.3	0	0	0	111.5	S58 M59 A64 T65 A66 F73	S58-F62 WeakPolarHBondContact O-CB 3.45Å; S58-F62 PolarHBondContact O-N 3.31Å; M59-F62 PolarHBondContact O-N 3.4Å; F62-A64 PolarHBondContact O-N 3.41Å; F62-T65 WeakPolarHBondContact O-CB 3.4Å; F62-T65 PolarHBondContact O-N 3.03Å; F62-T65 VanDerWaalsContact O-N 3.17Å; F62-A66 PolarHBondContact O-N 3.42Å; F62-F73 HydrophobicContact CE1-CD2 4.48Å; F62-F73 HydrophobicContact CZ-CD2 4.1Å; F62-F73 HydrophobicContact CZ-CE2 4.3Å; F62-F73 HydrophobicContact CZ-CG 4.38Å
63	L	78.4	Confident	74.4	Confident	98 Å²	98	76.9 Å²	76.9	51%	0.513	43%	0.426	S	S	.	.	H	α-helix	trans	-61.4	-45	178.5	-70	171.5	0	0	0	111.9	M59 D60 T65 A66 E67	M59-L63 HydrophobicContact CG-CD1 4.19Å; M59-L63 WeakPolarHBondContact O-CG 3.43Å; M59-L63 PolarHBondContact O-N 3.11Å; D60-L63 PolarHBondContact O-N 3.13Å; L63-T65 VanDerWaalsContact C-N 3.27Å; L63-T65 PolarHBondContact O-N 3.06Å; L63-A66 PolarHBondContact O-N 3.18Å; L63-E67 PolarHBondContact O-N 3.05Å
64	A	78.1	Confident	73.2	Confident	26 Å²	26	81.6 Å²	81.6	22%	0.215	45%	0.454	C	S	.	.	H	α-helix	trans	-64.6	-31	176	0	0	0	0	0	112.7	D60 F62 L68	D60-A64 WeakPolarHBondContact O-CB 3.42Å; D60-A64 PolarHBondContact O-N 3.39Å; F62-A64 PolarHBondContact O-N 3.41Å; A64-L68 WeakPolarHBondContact O-CG 3.26Å; A64-L68 PolarHBondContact O-N 3.45Å
65	T	79.1	Confident	72.4	Confident	39 Å²	39	84.6 Å²	84.6	24%	0.239	48%	0.483	C	S	.	.	H	α-helix	trans	-71.6	-40.6	174.3	-54.3	0	0	0	0	111.7	D61 F62 L63 L68 A69 L137 R140	D61-T65 WeakPolarHBondContact O-CB 3.25Å; D61-T65 PolarHBondContact O-N 2.85Å; D61-T65 PolarHBondContact O-OG1 3.33Å; F62-T65 WeakPolarHBondContact O-CB 3.4Å; F62-T65 PolarHBondContact O-N 3.03Å; F62-T65 VanDerWaalsContact O-N 3.17Å; L63-T65 VanDerWaalsContact C-N 3.27Å; L63-T65 PolarHBondContact O-N 3.06Å; T65-L68 PolarHBondContact O-N 3.03Å; T65-A69 WeakPolarHBondContact O-CB 3.32Å; T65-A69 PolarHBondContact O-N 3.31Å; T65-L137 HydrophobicContact CG2-CD1 3.72Å; T65-R140 PolarHBondContact OG1-NH1 2.73Å; T65-R140 PolarHBondContact OG1-NH2 2.69Å
66	A	78.4	Confident	71.2	Confident	10 Å²	10	87.1 Å²	87.1	8%	0.083	50%	0.495	C	S	.	.	H	α-helix	trans	-65.2	-40.6	175.2	0	0	0	0	0	112.4	F62 L63 A69 G70 T71 F73	F62-A66 PolarHBondContact O-N 3.42Å; L63-A66 PolarHBondContact O-N 3.18Å; A66-A69 CarbonylContact O-C 3.51Å; A66-A69 PolarHBondContact O-N 2.91Å; A66-G70 PolarHBondContact O-N 3.27Å; A66-T71 PolarHBondContact O-N 2.84Å; A66-T71 PolarHBondContact O-OG1 3.49Å; A66-F73 HydrophobicContact CB-CD2 3.71Å; A66-F73 HydrophobicContact CB-CE2 3.87Å
67	E	80.8	Confident	70.2	Confident	164 Å²	164	94.1 Å²	94.1	77%	0.766	52%	0.524	S	S	*	.	H	α-helix	trans	-61.2	-45.3	175.2	-174	178.2	-175	0	0	111.8	L63 A69 G70	L63-E67 PolarHBondContact O-N 3.05Å; E67-A69 VanDerWaalsContact C-N 3.31Å; E67-A69 PolarHBondContact O-N 2.93Å; E67-G70 PolarHBondContact O-N 3.46Å; E67-G70 VanDerWaalsContact O-N 3.13Å
68	L	78.5	Confident	68.6	Low	37 Å²	37	97.6 Å²	97.6	19%	0.194	54%	0.537	C	S	.	.	H	α-helix	trans	-64.1	-35	175.1	-74	169.9	0	0	0	113	A64 T65 G70 F136	A64-L68 WeakPolarHBondContact O-CG 3.26Å; A64-L68 PolarHBondContact O-N 3.45Å; T65-L68 PolarHBondContact O-N 3.03Å; L68-G70 PolarHBondContact O-N 3.34Å; L68-F136 HydrophobicContact CD1-CD1 4.03Å; L68-F136 HydrophobicContact CD1-CE1 4.01Å
69	A	76.4	Confident	67.3	Low	39 Å²	39	100 Å²	100	32%	0.322	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-7.7	175.6	0	0	0	0	0	113.7	T65 A66 E67 T71 L137	T65-A69 WeakPolarHBondContact O-CB 3.32Å; T65-A69 PolarHBondContact O-N 3.31Å; A66-A69 CarbonylContact O-C 3.51Å; A66-A69 PolarHBondContact O-N 2.91Å; E67-A69 VanDerWaalsContact C-N 3.31Å; E67-A69 PolarHBondContact O-N 2.93Å; A69-T71 HydrophobicContact CB-CG2 4.29Å; A69-T71 PolarHBondContact O-N 2.93Å; A69-L137 HydrophobicContact CB-CD2 3.83Å
70	G	73.7	Confident	66.5	Low	68 Å²	68	101.4 Å²	101.4	70%	0.701	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.5	22.8	-175.8	0	0	0	0	0	114	A66 E67 L68	A66-G70 PolarHBondContact O-N 3.27Å; E67-G70 PolarHBondContact O-N 3.46Å; E67-G70 VanDerWaalsContact O-N 3.13Å; L68-G70 PolarHBondContact O-N 3.34Å
71	T	75.3	Confident	65	Low	63 Å²	63	105.8 Å²	105.8	39%	0.387	57%	0.565	S	S	.	*			trans	-104.4	115.8	-174.4	49.4	0	0	0	0	112.4	A66 A69 F73	A66-T71 PolarHBondContact O-N 2.84Å; A66-T71 PolarHBondContact O-OG1 3.49Å; A69-T71 HydrophobicContact CB-CG2 4.29Å; A69-T71 PolarHBondContact O-N 2.93Å; T71-F73 PolarHBondContact O-N 3.01Å; T71-F73 WeakPolarHBondContact OG1-CE2 3.42Å
72	E	59.4	Low	63.6	Low	200 Å²	200	112.6 Å²	112.6	94%	0.935	59%	0.593	S	S	*	*			trans	-77.8	116.6	169.3	-65	-173.3	173.1	0	0	110.2
73	F	61.3	Low	62.4	Low	131 Å²	131	113.9 Å²	113.9	58%	0.575	61%	0.609	S	S	*	*			trans	-105	129	175.4	-73.9	-77.2	0	0	0	112.1	F62 A66 T71	F62-F73 HydrophobicContact CE1-CD2 4.48Å; F62-F73 HydrophobicContact CZ-CD2 4.1Å; F62-F73 HydrophobicContact CZ-CE2 4.3Å; F62-F73 HydrophobicContact CZ-CG 4.38Å; A66-F73 HydrophobicContact CB-CD2 3.71Å; A66-F73 HydrophobicContact CB-CE2 3.87Å; T71-F73 PolarHBondContact O-N 3.01Å; T71-F73 WeakPolarHBondContact OG1-CE2 3.42Å
74	V	52.4	Low	60.9	Low	132 Å²	132	112.7 Å²	112.7	80%	0.8	61%	0.608	S	S	*	*			trans	-83.9	116.3	159.5	179.8	0	0	0	0	107.6	E76	V74-E76 PolarHBondContact O-N 2.77Å
75	A	52.8	Low	59.5	Low	96 Å²	96	116.4 Å²	116.4	79%	0.793	64%	0.638	S	S	*	*			trans	-74.5	85.9	-177.4	0	0	0	0	0	112	K77	A75-K77 PolarHBondContact O-N 3.46Å
76	E	47.6	Very low	58.2	Low	153 Å²	153	121.4 Å²	121.4	72%	0.715	66%	0.659	S	S	*	*			trans	-70.6	123	167.1	-65.2	-164.2	156.9	0	0	110.3	V74 L78	V74-E76 PolarHBondContact O-N 2.77Å; E76-L78 PolarHBondContact O-N 2.98Å
77	K	48.6	Very low	56.7	Low	214 Å²	214	124.5 Å²	124.5	93%	0.93	69%	0.685	S	S	*	*			trans	-75.1	68.3	178.1	-84.6	-172.1	171.7	-178.7	0	111.8	A75	A75-K77 PolarHBondContact O-N 3.46Å
78	L	42	Very low	55.3	Low	129 Å²	129	121 Å²	121	68%	0.675	66%	0.664	S	S	*	*			trans	-121.8	134.2	175	-66.1	172.7	0	0	0	110.2	E76	E76-L78 PolarHBondContact O-N 2.98Å
79	N	45.4	Very low	53.9	Low	159 Å²	159	122 Å²	122	85%	0.85	68%	0.678	S	S	*	*			trans	70.6	87.5	-177	-55.2	-26.7	0	0	0	116.5	K81	N79-K81 PolarHBondContact O-N 2.79Å; N79-K81 VanDerWaalsContact O-N 3.14Å
80	I	55.6	Low	53	Low	150 Å²	150	122.2 Å²	122.2	77%	0.769	68%	0.684	S	S	*	*			trans	-72.5	99.3	160.8	-59.1	172.4	0	0	0	108.2	F82	I80-F82 HydrophobicContact CG2-CE2 4.33Å; I80-F82 HydrophobicContact CG2-CZ 4.43Å
81	K	47.1	Very low	52.6	Low	171 Å²	171	122.5 Å²	122.5	74%	0.743	67%	0.669	S	S	*	*			trans	-81.6	113.4	169.1	-167.3	178.4	-179.1	-173.2	0	108.2	N79 V83	N79-K81 PolarHBondContact O-N 2.79Å; N79-K81 VanDerWaalsContact O-N 3.14Å; K81-V83 PolarHBondContact O-N 3.15Å; K81-V83 VanDerWaalsContact O-N 3.08Å
82	F	47.2	Very low	52.5	Low	183 Å²	183	121.3 Å²	121.3	80%	0.803	66%	0.66	S	S	*	*			trans	-69.2	104.9	172.7	-70.2	-90.3	0	0	0	108.9	I80 P84	I80-F82 HydrophobicContact CG2-CE2 4.33Å; I80-F82 HydrophobicContact CG2-CZ 4.43Å; F82-P84 WeakPolarHBondContact O-CD 3.48Å
83	V	51.5	Low	53.5	Low	129 Å²	129	115.4 Å²	115.4	78%	0.782	64%	0.638	S	S	*	*			trans	-74.9	115.5	164	-178.3	0	0	0	0	106.2	K81 A85	K81-V83 PolarHBondContact O-N 3.15Å; K81-V83 VanDerWaalsContact O-N 3.08Å; V83-A85 PolarHBondContact O-N 2.72Å
84	P	48.4	Very low	54.4	Low	74 Å²	74	113.2 Å²	113.2	48%	0.481	64%	0.644	S	S	.	*			trans	-61.9	136.7	178.5	25.8	-33.1	0	0	0	109.3	F82 E86	F82-P84 WeakPolarHBondContact O-CD 3.48Å; P84-E86 HydrophobicContact CB-CG 4.16Å; P84-E86 PolarHBondContact O-N 3.25Å
85	A	48.8	Very low	56	Low	104 Å²	104	114.8 Å²	114.8	86%	0.86	64%	0.643	S	S	*	*			trans	-75.4	36.7	177	0	0	0	0	0	112.4	V83 A87	V83-A85 PolarHBondContact O-N 2.72Å; A85-A87 PolarHBondContact O-N 2.77Å
86	E	51.3	Low	57.4	Low	143 Å²	143	114.6 Å²	114.6	67%	0.668	63%	0.625	S	S	*	*			trans	-73.3	48.6	167.3	-70.4	154.4	-157.1	0	0	109.6	P84 R88	P84-E86 HydrophobicContact CB-CG 4.16Å; P84-E86 PolarHBondContact O-N 3.25Å; E86-R88 PolarHBondContact O-N 2.98Å
87	A	46.2	Very low	59.1	Low	76 Å²	76	113.5 Å²	113.5	63%	0.628	62%	0.618	S	S	*	*			trans	-60.4	127.7	167.9	0	0	0	0	0	107.5	A85 A89	A85-A87 PolarHBondContact O-N 2.77Å; A87-A89 HydrophobicContact CB-CB 4.37Å; A87-A89 PolarHBondContact O-N 3.36Å
88	R	52.3	Low	60.8	Low	90 Å²	90	106.4 Å²	106.4	34%	0.34	60%	0.596	S	S	.	*			trans	-69.5	60.6	168.7	-63.7	-173.9	-177.3	136.8	4.9	110.4	E86 G90 K151 I153	E86-R88 PolarHBondContact O-N 2.98Å; R88-G90 VanDerWaalsContact C-N 3.3Å; R88-K151 PolarHBondContact NH1-O 3.06Å; R88-K151 PolarHBondContact NH2-O 3.33Å; R88-I153 HydrophobicContact CB-CD1 4.21Å; R88-I153 HydrophobicContact CG-CD1 4.45Å
89	A	49.1	Very low	62.9	Low	57 Å²	57	109.6 Å²	109.6	47%	0.471	60%	0.599	S	S	.	*			trans	-92.1	7.6	176.2	0	0	0	0	0	111.8	A87 P447	A87-A89 HydrophobicContact CB-CB 4.37Å; A87-A89 PolarHBondContact O-N 3.36Å; A89-P447 VanDerWaalsContact O-CG 3.24Å; A89-P447 WeakPolarHBondContact O-CG 3.35Å
90	G	57.8	Low	64.8	Low	45 Å²	45	102.7 Å²	102.7	46%	0.464	56%	0.562	S	S	.	*	S	Bend	trans	-97.1	162.9	168.2	0	0	0	0	0	111.8	R88	R88-G90 VanDerWaalsContact C-N 3.3Å
91	L	64.9	Low	66.2	Low	73 Å²	73	101.3 Å²	101.3	38%	0.382	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-68.3	134.3	163	-66.2	162	0	0	0	108.4	Q454	L91-Q454 VanDerWaalsContact CD1-NE2 3.32Å
92	L	72.6	Confident	68.2	Low	38 Å²	38	99.8 Å²	99.8	20%	0.199	54%	0.544	C	S	.	.	P	Polyproline II helix	trans	-70.8	138.9	175.8	-67.6	164.7	0	0	0	110.3	E96 L100 T427	L92-E96 HydrophobicContact CB-CB 4.47Å; L92-E96 HydrophobicContact CD2-CB 4.13Å; L92-L100 HydrophobicContact CD1-CD1 3.55Å; L92-L100 HydrophobicContact CD2-CD1 3.73Å; L92-L100 HydrophobicContact CG-CD1 4.29Å; L92-T427 HydrophobicContact CD1-CG2 3.66Å; L92-T427 HydrophobicContact CG-CG2 3.93Å
93	T	81.1	Confident	70.1	Confident	76 Å²	76	92.6 Å²	92.6	47%	0.466	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-66.2	160.7	167.3	62.1	0	0	0	0	111	E95 E96 K97	T93-E95 VanDerWaalsContact C-N 3.26Å; T93-E95 PolarHBondContact O-N 3.37Å; T93-E96 WeakPolarHBondContact CB-OE2 3.46Å; T93-E96 WeakPolarHBondContact CG2-OE2 3.22Å; T93-E96 PolarHBondContact N-OE2 3.13Å; T93-E96 PolarHBondContact O-N 2.95Å; T93-E96 WeakPolarHBondContact OG1-CB 3.48Å; T93-E96 VanDerWaalsContact OG1-CD 3.25Å; T93-E96 WeakPolarHBondContact OG1-CG 3.46Å; T93-E96 PolarHBondContact OG1-N 3.44Å; T93-E96 PolarHBondContact OG1-OE2 2.88Å; T93-K97 WeakPolarHBondContact O-CB 3.15Å; T93-K97 PolarHBondContact O-N 2.86Å
94	A	80.3	Confident	71.8	Confident	86 Å²	86	87.9 Å²	87.9	71%	0.711	48%	0.483	S	S	*	.	H	α-helix	trans	-60.3	-36.4	178.4	0	0	0	0	0	112.6	K97 S98	A94-K97 PolarHBondContact O-N 3.06Å; A94-S98 WeakPolarHBondContact O-CB 3.39Å; A94-S98 PolarHBondContact O-N 2.89Å
95	E	84.6	Confident	73.6	Confident	164 Å²	164	89.7 Å²	89.7	77%	0.766	49%	0.485	S	S	*	.	H	α-helix	trans	-66.7	-47.4	176.5	-63.2	-177.7	-176.7	0	0	111.8	T93 K97 S98 R99	T93-E95 VanDerWaalsContact C-N 3.26Å; T93-E95 PolarHBondContact O-N 3.37Å; E95-K97 VanDerWaalsContact C-N 3.32Å; E95-K97 PolarHBondContact O-N 2.98Å; E95-S98 PolarHBondContact O-N 3.12Å; E95-R99 WeakPolarHBondContact O-CB 3.09Å; E95-R99 PolarHBondContact O-N 2.78Å
96	E	83.3	Confident	75.5	Confident	92 Å²	92	90.6 Å²	90.6	43%	0.43	47%	0.471	S	S	.	.	H	α-helix	trans	-61.6	-40.6	175.1	-71.1	167.4	131.6	0	0	111.7	L92 T93 S98 R99 L100	L92-E96 HydrophobicContact CB-CB 4.47Å; L92-E96 HydrophobicContact CD2-CB 4.13Å; T93-E96 WeakPolarHBondContact CB-OE2 3.46Å; T93-E96 WeakPolarHBondContact CG2-OE2 3.22Å; T93-E96 PolarHBondContact N-OE2 3.13Å; T93-E96 PolarHBondContact O-N 2.95Å; T93-E96 WeakPolarHBondContact OG1-CB 3.48Å; T93-E96 VanDerWaalsContact OG1-CD 3.25Å; T93-E96 WeakPolarHBondContact OG1-CG 3.46Å; T93-E96 PolarHBondContact OG1-N 3.44Å; T93-E96 PolarHBondContact OG1-OE2 2.88Å; E96-S98 PolarHBondContact O-N 2.84Å; E96-R99 PolarHBondContact O-N 2.74Å; E96-L100 WeakPolarHBondContact O-CB 3.45Å; E96-L100 VanDerWaalsContact O-CG 3.3Å; E96-L100 WeakPolarHBondContact O-CG 3.42Å; E96-L100 PolarHBondContact O-N 2.67Å
97	K	82.4	Confident	77.1	Confident	131 Å²	131	84.3 Å²	84.3	57%	0.57	44%	0.442	S	S	*	.	H	α-helix	trans	-62.1	-41.7	175.8	-172.1	178.9	-178.1	-179.8	0	111.8	T93 A94 E95 K101	T93-K97 WeakPolarHBondContact O-CB 3.15Å; T93-K97 PolarHBondContact O-N 2.86Å; A94-K97 PolarHBondContact O-N 3.06Å; E95-K97 VanDerWaalsContact C-N 3.32Å; E95-K97 PolarHBondContact O-N 2.98Å; K97-K101 WeakPolarHBondContact O-CB 3.48Å; K97-K101 PolarHBondContact O-N 2.96Å
98	S	84.6	Confident	79	Confident	65 Å²	65	85.8 Å²	85.8	46%	0.455	44%	0.435	S	S	.	.	H	α-helix	trans	-66	-44.3	175.5	-174	0	0	0	0	111.9	A94 E95 E96 K101 K102	A94-S98 WeakPolarHBondContact O-CB 3.39Å; A94-S98 PolarHBondContact O-N 2.89Å; E95-S98 PolarHBondContact O-N 3.12Å; E96-S98 PolarHBondContact O-N 2.84Å; S98-K101 PolarHBondContact O-N 2.95Å; S98-K102 PolarHBondContact O-N 3.2Å; S98-K102 VanDerWaalsContact O-N 3.13Å
99	R	86.8	Confident	80.5	Confident	195 Å²	195	86.8 Å²	86.8	74%	0.736	44%	0.443	S	S	*	.	H	α-helix	trans	-60.7	-45.8	174.9	-179.5	-178.9	173.7	-174.3	-1.4	112	E95 E96 K102 L103	E95-R99 WeakPolarHBondContact O-CB 3.09Å; E95-R99 PolarHBondContact O-N 2.78Å; E96-R99 PolarHBondContact O-N 2.74Å; R99-K102 PolarHBondContact O-N 3.24Å; R99-L103 PolarHBondContact O-N 3.19Å; R99-L103 VanDerWaalsContact O-N 3.07Å
100	L	85.3	Confident	82.1	Confident	14 Å²	14	88.8 Å²	88.8	7%	0.073	44%	0.441	C	S	.	.	H	α-helix	trans	-63.1	-42.2	176.5	-75.9	166.6	0	0	0	111.2	L92 E96 K102 L103 H104 L152	L92-L100 HydrophobicContact CD1-CD1 3.55Å; L92-L100 HydrophobicContact CD2-CD1 3.73Å; L92-L100 HydrophobicContact CG-CD1 4.29Å; E96-L100 WeakPolarHBondContact O-CB 3.45Å; E96-L100 VanDerWaalsContact O-CG 3.3Å; E96-L100 WeakPolarHBondContact O-CG 3.42Å; E96-L100 PolarHBondContact O-N 2.67Å; L100-K102 VanDerWaalsContact C-N 3.32Å; L100-K102 PolarHBondContact O-N 2.92Å; L100-L103 CarbonylContact O-C 3.6Å; L100-L103 PolarHBondContact O-N 3.25Å; L100-L103 VanDerWaalsContact O-N 3.16Å; L100-H104 WeakPolarHBondContact O-CB 3.26Å; L100-H104 PolarHBondContact O-CD2 3.18Å; L100-H104 PolarHBondContact O-N 3.1Å; L100-L152 HydrophobicContact CD2-CD2 4.4Å
101	K	85.7	Confident	83.4	Confident	122 Å²	122	87.7 Å²	87.7	53%	0.53	43%	0.425	S	S	.	.	H	α-helix	trans	-58	-41.2	176.1	-172.4	179.6	178.3	-174.9	0	112.5	K97 S98 H104 E105	K97-K101 WeakPolarHBondContact O-CB 3.48Å; K97-K101 PolarHBondContact O-N 2.96Å; S98-K101 PolarHBondContact O-N 2.95Å; K101-H104 PolarHBondContact O-N 2.88Å; K101-E105 PolarHBondContact O-N 3.05Å
102	K	88.1	Confident	84.5	Confident	138 Å²	138	91.2 Å²	91.2	60%	0.6	43%	0.433	S	S	*	.	H	α-helix	trans	-63.2	-48.9	174	-67.8	-178.7	-179.3	-174.3	0	111.5	S98 R99 L100 H104 E105 E106	S98-K102 PolarHBondContact O-N 3.2Å; S98-K102 VanDerWaalsContact O-N 3.13Å; R99-K102 PolarHBondContact O-N 3.24Å; L100-K102 VanDerWaalsContact C-N 3.32Å; L100-K102 PolarHBondContact O-N 2.92Å; K102-H104 VanDerWaalsContact C-N 3.27Å; K102-H104 PolarHBondContact O-N 2.81Å; K102-E105 PolarHBondContact O-N 3.31Å; K102-E105 VanDerWaalsContact O-N 3.09Å; K102-E106 WeakPolarHBondContact O-CG 3.5Å; K102-E106 PolarHBondContact O-N 2.7Å
103	L	86.5	Confident	85.5	Confident	33 Å²	33	89.6 Å²	89.6	17%	0.173	42%	0.424	C	S	.	.	H	α-helix	trans	-62.5	-32.4	179.4	-167.1	65.1	0	0	0	112.6	R99 L100 N107 L152	R99-L103 PolarHBondContact O-N 3.19Å; R99-L103 VanDerWaalsContact O-N 3.07Å; L100-L103 CarbonylContact O-C 3.6Å; L100-L103 PolarHBondContact O-N 3.25Å; L100-L103 VanDerWaalsContact O-N 3.16Å; L103-N107 WeakPolarHBondContact CD1-ND2 3.3Å; L103-N107 WeakPolarHBondContact O-CB 3.3Å; L103-N107 PolarHBondContact O-N 3.21Å; L103-N107 VanDerWaalsContact O-N 3.16Å; L103-N107 PolarHBondContact O-ND2 3.17Å; L103-L152 HydrophobicContact CD2-CD2 3.65Å; L103-L152 HydrophobicContact CD2-CG 4.17Å; L103-L152 HydrophobicContact CG-CD1 4.32Å; L103-L152 HydrophobicContact CG-CD2 3.96Å; L103-L152 HydrophobicContact CG-CG 4.45Å
104	H	87.8	Confident	86	Confident	30 Å²	30	86.1 Å²	86.1	14%	0.139	40%	0.403	C	S	.	.	H	α-helix	trans	-67.2	-40.6	173.7	-66.7	-176.4	0	0	0	111.9	L100 K101 K102 K108 F424	L100-H104 WeakPolarHBondContact O-CB 3.26Å; L100-H104 PolarHBondContact O-CD2 3.18Å; L100-H104 PolarHBondContact O-N 3.1Å; K101-H104 PolarHBondContact O-N 2.88Å; K102-H104 VanDerWaalsContact C-N 3.27Å; K102-H104 PolarHBondContact O-N 2.81Å; H104-K108 WeakPolarHBondContact O-CB 3.41Å; H104-K108 PolarHBondContact O-N 3.05Å; H104-K108 VanDerWaalsContact O-N 3.12Å; H104-F424 HydrophobicContact CB-CB 4.02Å; H104-F424 HydrophobicContact CB-CD2 3.79Å; H104-F424 HydrophobicContact CB-CG 4.13Å; H104-F424 AromaticContact CD2-CG 3.95Å; H104-F424 AromaticContact CG-CG 3.93Å; H104-F424 WeakPolarHBondContact O-CD2 3.48Å; H104-F424 VanDerWaalsContact O-CE2 3.29Å; H104-F424 WeakPolarHBondContact O-CE2 3.48Å
105	E	86.3	Confident	86.6	Confident	112 Å²	112	84.4 Å²	84.4	52%	0.523	38%	0.378	S	S	.	.	H	α-helix	trans	-71.4	-42.1	178.9	-160.7	64.7	-137.6	0	0	111.2	K101 K102 N107 K108	K101-E105 PolarHBondContact O-N 3.05Å; K102-E105 PolarHBondContact O-N 3.31Å; K102-E105 VanDerWaalsContact O-N 3.09Å; E105-N107 PolarHBondContact O-N 2.8Å; E105-K108 VanDerWaalsContact O-CB 3.25Å; E105-K108 WeakPolarHBondContact O-CB 3.14Å; E105-K108 PolarHBondContact O-N 3.21Å; E105-K108 WeakPolarHBondContact OE1-CD 3.27Å; E105-K108 WeakPolarHBondContact OE1-CE 3.49Å; E105-K108 IonicContact OE1-NZ 2.65Å; E105-K108 PolarHBondContact OE1-NZ 3.18Å; E105-K108 IonicContact OE2-NZ 2.69Å; E105-K108 PolarHBondContact OE2-NZ 3.49Å
106	E	88.9	Confident	86.9	Confident	123 Å²	123	78 Å²	78	58%	0.575	35%	0.347	S	S	*	.	H	α-helix	trans	-57.1	-45.3	175.2	-72	164.8	-166.1	0	0	112	K102 H109	K102-E106 WeakPolarHBondContact O-CG 3.5Å; K102-E106 PolarHBondContact O-N 2.7Å; E106-H109 PolarHBondContact O-CE1 2.91Å; E106-H109 PolarHBondContact O-ND1 3.17Å
107	N	85.7	Confident	87.3	Confident	11 Å²	11	75 Å²	75	6%	0.059	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	3	-176.2	-66.9	-79.6	0	0	0	114.2	L103 E105 H109 F110 L152 F424	L103-N107 WeakPolarHBondContact CD1-ND2 3.3Å; L103-N107 WeakPolarHBondContact O-CB 3.3Å; L103-N107 PolarHBondContact O-N 3.21Å; L103-N107 VanDerWaalsContact O-N 3.16Å; L103-N107 PolarHBondContact O-ND2 3.17Å; E105-N107 PolarHBondContact O-N 2.8Å; N107-H109 PolarHBondContact O-N 3.4Å; N107-H109 VanDerWaalsContact O-N 3.12Å; N107-F110 HydrophobicContact CB-CD2 4.12Å; N107-F110 PolarHBondContact O-N 3.06Å; N107-L152 HydrophobicContact CB-CD1 4.02Å; N107-F424 HydrophobicContact CB-CE2 3.92Å; N107-F424 HydrophobicContact CB-CZ 3.62Å
108	K	84.3	Confident	87.6	Confident	107 Å²	107	77.2 Å²	77.2	47%	0.465	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-55.3	-33.7	-174.6	-168	175.4	-175.7	178.7	0	113.7	H104 E105 F110 L111	H104-K108 WeakPolarHBondContact O-CB 3.41Å; H104-K108 PolarHBondContact O-N 3.05Å; H104-K108 VanDerWaalsContact O-N 3.12Å; E105-K108 VanDerWaalsContact O-CB 3.25Å; E105-K108 WeakPolarHBondContact O-CB 3.14Å; E105-K108 PolarHBondContact O-N 3.21Å; E105-K108 WeakPolarHBondContact OE1-CD 3.27Å; E105-K108 WeakPolarHBondContact OE1-CE 3.49Å; E105-K108 IonicContact OE1-NZ 2.65Å; E105-K108 PolarHBondContact OE1-NZ 3.18Å; E105-K108 IonicContact OE2-NZ 2.69Å; E105-K108 PolarHBondContact OE2-NZ 3.49Å; K108-F110 PolarHBondContact O-N 2.83Å; K108-L111 PolarHBondContact O-N 3.3Å
109	H	84.3	Confident	87.8	Confident	111 Å²	111	77.3 Å²	77.3	51%	0.514	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-68.7	-16.7	-178.7	66.7	-85.3	0	0	0	114.7	E106 N107 R112	E106-H109 PolarHBondContact O-CE1 2.91Å; E106-H109 PolarHBondContact O-ND1 3.17Å; N107-H109 PolarHBondContact O-N 3.4Å; N107-H109 VanDerWaalsContact O-N 3.12Å; H109-R112 PolarHBondContact O-NE 2.97Å
110	F	83.2	Confident	87.8	Confident	99 Å²	99	71.3 Å²	71.3	43%	0.434	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-85	-13.7	174.6	-64.5	-72.4	0	0	0	113.6	N107 K108 R112 L146	N107-F110 HydrophobicContact CB-CD2 4.12Å; N107-F110 PolarHBondContact O-N 3.06Å; K108-F110 PolarHBondContact O-N 2.83Å; F110-R112 PolarHBondContact O-N 3.37Å; F110-L146 HydrophobicContact CB-CD1 3.56Å; F110-L146 HydrophobicContact CB-CD2 3.89Å; F110-L146 HydrophobicContact CB-CG 4.33Å; F110-L146 HydrophobicContact CD1-CD2 4.34Å; F110-L146 HydrophobicContact CD2-CD2 3.71Å; F110-L146 HydrophobicContact CE2-CD2 4.26Å; F110-L146 HydrophobicContact CG-CD1 4.34Å; F110-L146 HydrophobicContact CG-CD2 3.76Å
111	L	84.8	Confident	87.8	Confident	22 Å²	22	78.8 Å²	78.8	12%	0.115	36%	0.355	C	S	.	.			trans	-78.7	59.8	178.8	-65.3	178.9	0	0	0	112.1	K108 L154 P422 F424	K108-L111 PolarHBondContact O-N 3.3Å; L111-L154 HydrophobicContact CD2-CD2 3.6Å; L111-P422 HydrophobicContact CD2-CB 4.06Å; L111-F424 HydrophobicContact CD1-CD1 4.38Å; L111-F424 HydrophobicContact CD1-CD2 3.4Å; L111-F424 VanDerWaalsContact CD1-CD2 3.4Å; L111-F424 HydrophobicContact CD1-CE1 4.37Å; L111-F424 HydrophobicContact CD1-CE2 3.42Å; L111-F424 VanDerWaalsContact CD1-CE2 3.42Å; L111-F424 HydrophobicContact CD1-CG 3.89Å; L111-F424 HydrophobicContact CD1-CZ 3.91Å; L111-F424 HydrophobicContact CD2-CD1 4.33Å; L111-F424 HydrophobicContact CD2-CE1 3.89Å; L111-F424 HydrophobicContact CD2-CE2 4.22Å; L111-F424 HydrophobicContact CD2-CZ 3.82Å; L111-F424 HydrophobicContact CG-CD2 4.16Å; L111-F424 HydrophobicContact CG-CE1 4.26Å; L111-F424 HydrophobicContact CG-CE2 3.68Å; L111-F424 HydrophobicContact CG-CZ 3.71Å
112	R	88.8	Confident	87.9	Confident	147 Å²	147	77.6 Å²	77.6	56%	0.555	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-89.5	146.9	176.5	-61.5	-176	-177.7	-150.7	-5.3	111	H109 F110 W139 D193	H109-R112 PolarHBondContact O-NE 2.97Å; F110-R112 PolarHBondContact O-N 3.37Å; R112-W139 PolarHBondContact O-NE1 3.08Å; R112-D193 WeakPolarHBondContact CA-OD2 3.08Å
113	I	91.9	Very high	87.9	Confident	3 Å²	3	72.2 Å²	72.2	2%	0.015	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-87.3	147.1	167.1	64.1	169.1	0	0	0	110.2	R115 W164 L167 D193 L194 Y197 M421	I113-R115 PolarHBondContact O-N 3.38Å; I113-R115 VanDerWaalsContact O-N 3.14Å; I113-R115 PolarHBondContact O-NH1 3.24Å; I113-W164 HydrophobicContact CB-CH2 4.13Å; I113-W164 HydrophobicContact CB-CZ3 3.73Å; I113-W164 HydrophobicContact CG2-CH2 3.91Å; I113-W164 HydrophobicContact CG2-CZ3 3.89Å; I113-L167 HydrophobicContact CD1-CD2 4.11Å; I113-D193 WeakPolarHBondContact CG1-OD2 3.47Å; I113-D193 PolarHBondContact N-OD2 3.33Å; I113-L194 HydrophobicContact CD1-CB 4.18Å; I113-L194 HydrophobicContact CD1-CD1 3.56Å; I113-L194 HydrophobicContact CD1-CG 4.5Å; I113-Y197 HydrophobicContact CD1-CD1 3.85Å; I113-Y197 HydrophobicContact CG1-CD1 4.39Å; I113-M421 HydrophobicContact CG2-CB 4.44Å; I113-M421 HydrophobicContact CG2-CG 4.27Å
114	P	93.1	Very high	88.1	Confident	4 Å²	4	74.2 Å²	74.2	3%	0.026	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-63.7	120	-175.7	27.3	-33.9	0	0	0	109.8	F136 W139 W164 W168	P114-F136 HydrophobicContact CB-CD2 4.27Å; P114-F136 HydrophobicContact CG-CD2 4.15Å; P114-F136 HydrophobicContact CG-CE2 4.42Å; P114-W139 HydrophobicContact CB-CB 4.26Å; P114-W139 HydrophobicContact CB-CD2 4.02Å; P114-W139 HydrophobicContact CB-CE3 4.41Å; P114-W139 HydrophobicContact CB-CG 3.94Å; P114-W139 HydrophobicContact CG-CD2 4.08Å; P114-W139 HydrophobicContact CG-CE3 4.27Å; P114-W139 HydrophobicContact CG-CG 4.49Å; P114-W139 HydrophobicContact CG-CZ2 4.43Å; P114-W164 HydrophobicContact CG-CB 4.41Å; P114-W164 HydrophobicContact CG-CD2 3.55Å; P114-W164 HydrophobicContact CG-CE3 3.56Å; P114-W164 HydrophobicContact CG-CG 3.95Å; P114-W164 HydrophobicContact CG-CZ3 4.09Å; P114-W168 HydrophobicContact CB-CZ2 4.29Å; P114-W168 PolarHBondContact O-NE1 3.03Å
115	R	91.9	Very high	88	Confident	49 Å²	49	76.5 Å²	76.5	19%	0.185	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-74.8	136.2	176.1	-59.4	-62.6	-167.6	-99.5	9.6	109	I113 S135 D193 Y197 E200	I113-R115 PolarHBondContact O-N 3.38Å; I113-R115 VanDerWaalsContact O-N 3.14Å; I113-R115 PolarHBondContact O-NH1 3.24Å; R115-S135 PolarHBondContact O-OG 3.17Å; R115-D193 IonicContact CZ-OD1 3.63Å; R115-D193 IonicContact CZ-OD2 3.92Å; R115-D193 IonicContact NH1-OD1 2.89Å; R115-D193 PolarHBondContact NH1-OD1 3.28Å; R115-D193 IonicContact NH1-OD2 2.69Å; R115-D193 PolarHBondContact NH1-OD2 3.16Å; R115-D193 IonicContact NH2-OD1 3.1Å; R115-D193 PolarHBondContact NH2-OD1 3.03Å; R115-D193 IonicContact NH2-OD2 3.75Å; R115-Y197 HydrophobicContact CB-CE2 4.39Å; R115-Y197 VanDerWaalsContact CD-CE2 3.46Å; R115-E200 WeakPolarHBondContact CD-OE2 3.29Å; R115-E200 IonicContact CZ-OE1 2.77Å; R115-E200 IonicContact CZ-OE2 3.9Å; R115-E200 IonicContact NE-OE1 2.85Å; R115-E200 PolarHBondContact NE-OE1 2.81Å; R115-E200 IonicContact NE-OE2 2.89Å; R115-E200 PolarHBondContact NE-OE2 3.31Å; R115-E200 IonicContact NH2-OE1 3.85Å; R115-E200 PolarHBondContact NH2-OE1 2.97Å; R115-E200 IonicContact NH2-OE2 4Å
116	R	92.3	Very high	88.1	Confident	29 Å²	29	76.9 Å²	76.9	11%	0.109	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-65.1	130.8	170.4	-163	-179.1	-164.6	-170	-2.6	109.1	H35 E132 W168 E172 Y197	H35-R116 PolarHBondContact O-NH2 3.31Å; R116-E132 IonicContact CZ-OE1 3.76Å; R116-E132 IonicContact NE-OE1 3.11Å; R116-E132 PolarHBondContact NE-OE1 3.02Å; R116-E132 IonicContact NH2-OE1 2.98Å; R116-E132 PolarHBondContact NH2-OE1 2.94Å; R116-W168 HydrophobicContact CB-CB 4.38Å; R116-W168 HydrophobicContact CB-CD2 3.7Å; R116-W168 HydrophobicContact CB-CE3 4.08Å; R116-W168 HydrophobicContact CB-CG 3.84Å; R116-W168 HydrophobicContact CB-CZ2 4.47Å; R116-W168 HydrophobicContact CG-CD2 3.84Å; R116-W168 HydrophobicContact CG-CE3 3.68Å; R116-W168 HydrophobicContact CG-CG 4.26Å; R116-W168 HydrophobicContact CG-CZ3 4.13Å; R116-E172 WeakPolarHBondContact CD-OE1 3.18Å; R116-E172 IonicContact CZ-OE1 2.72Å; R116-E172 IonicContact NE-OE1 3.58Å; R116-E172 IonicContact NH1-OE1 3.87Å; R116-E172 PolarHBondContact NH1-OE1 2.87Å; R116-E172 IonicContact NH1-OE2 3.6Å; R116-E172 PolarHBondContact NH1-OE2 2.96Å; R116-Y197 WeakPolarHBondContact CB-OH 3.46Å; R116-Y197 PolarHBondContact N-OH 3.03Å
117	P	91.6	Very high	88.2	Confident	30 Å²	30	76 Å²	76	20%	0.195	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-56.2	141.2	170.6	-24.7	34.4	0	0	0	111.2	W119 A131	P117-W119 PolarHBondContact O-N 3.49Å; P117-A131 HydrophobicContact CB-CB 4.15Å; P117-A131 HydrophobicContact CG-CB 4.14Å
118	H	87.9	Confident	88.4	Confident	178 Å²	178	75.8 Å²	75.8	82%	0.824	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-60.7	133.8	173.6	-176.8	-74.7	0	0	0	110
119	W	88	Confident	88.6	Confident	66 Å²	66	74.8 Å²	74.8	25%	0.25	37%	0.372	C	S	.	.			trans	-132.6	155.4	176.9	64.1	-91	0	0	0	109.8	L34 H35 P117 T123 L128	L34-W119 HydrophobicContact CB-CZ3 4.15Å; L34-W119 WeakPolarHBondContact O-CH2 3.33Å; H35-W119 HydrophobicContact CB-CD2 4.04Å; H35-W119 HydrophobicContact CB-CE3 3.97Å; H35-W119 HydrophobicContact CB-CH2 4.11Å; H35-W119 HydrophobicContact CB-CZ2 4.16Å; H35-W119 HydrophobicContact CB-CZ3 4.03Å; H35-W119 AromaticContact CD2-CE3 3.32Å; H35-W119 AromaticContact CD2-CZ3 3.45Å; H35-W119 VanDerWaalsContact CD2-CZ3 3.45Å; H35-W119 WeakPolarHBondContact CD2-CZ3 3.24Å; H35-W119 AromaticContact CG-CE3 3.81Å; P117-W119 PolarHBondContact O-N 3.49Å; W119-T123 HydrophobicContact CB-CG2 4.21Å; W119-L128 HydrophobicContact CB-CD1 3.78Å; W119-L128 HydrophobicContact CB-CD2 4.03Å; W119-L128 HydrophobicContact CB-CG 4.49Å; W119-L128 HydrophobicContact CD2-CD2 4.4Å; W119-L128 HydrophobicContact CG-CD1 4.22Å; W119-L128 HydrophobicContact CG-CD2 3.91Å
120	D	87.3	Confident	88.8	Confident	70 Å²	70	73.4 Å²	73.4	37%	0.374	37%	0.366	S	S	.	.			trans	-135.5	178.9	-178.7	69.1	-0.9	0	0	0	110.8	S122 T123	D120-S122 VanDerWaalsContact CG-OG 3.24Å; D120-S122 PolarHBondContact O-N 3.48Å; D120-S122 VanDerWaalsContact O-N 3.16Å; D120-S122 WeakPolarHBondContact OD1-CA 3.48Å; D120-S122 WeakPolarHBondContact OD1-CB 3.46Å; D120-S122 PolarHBondContact OD1-N 3.08Å; D120-S122 PolarHBondContact OD1-OG 3.3Å; D120-S122 PolarHBondContact OD2-OG 3.07Å; D120-T123 PolarHBondContact N-OG1 2.71Å; D120-T123 WeakPolarHBondContact O-CB 3.35Å; D120-T123 PolarHBondContact O-N 2.78Å; D120-T123 PolarHBondContact O-OG1 3.03Å; D120-T123 PolarHBondContact OD1-N 2.79Å; D120-T123 PolarHBondContact OD1-OG1 3.38Å
121	E	85	Confident	89.2	Confident	171 Å²	171	70.2 Å²	70.2	80%	0.799	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-14.9	177.4	-58	-174	168.4	0	0	113.9	L34	L34-E121 HydrophobicContact CD1-CB 4.24Å; L34-E121 HydrophobicContact CD1-CG 3.99Å
122	S	88	Confident	89.6	Confident	97 Å²	97	69.4 Å²	69.4	68%	0.678	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-19	178.4	87.1	0	0	0	0	113.1	D120	D120-S122 VanDerWaalsContact CG-OG 3.24Å; D120-S122 PolarHBondContact O-N 3.48Å; D120-S122 VanDerWaalsContact O-N 3.16Å; D120-S122 WeakPolarHBondContact OD1-CA 3.48Å; D120-S122 WeakPolarHBondContact OD1-CB 3.46Å; D120-S122 PolarHBondContact OD1-N 3.08Å; D120-S122 PolarHBondContact OD1-OG 3.3Å; D120-S122 PolarHBondContact OD2-OG 3.07Å
123	T	88.8	Confident	89.7	Confident	24 Å²	24	65.8 Å²	65.8	15%	0.147	34%	0.342	C	S	.	.			trans	-67.5	132.4	-178.1	-61.8	0	0	0	0	110.3	H35 W119 D120 L127 L128	H35-T123 PolarHBondContact CE1-O 2.92Å; H35-T123 PolarHBondContact NE2-O 2.85Å; H35-T123 VanDerWaalsContact NE2-O 3.07Å; W119-T123 HydrophobicContact CB-CG2 4.21Å; D120-T123 PolarHBondContact N-OG1 2.71Å; D120-T123 WeakPolarHBondContact O-CB 3.35Å; D120-T123 PolarHBondContact O-N 2.78Å; D120-T123 PolarHBondContact O-OG1 3.03Å; D120-T123 PolarHBondContact OD1-N 2.79Å; D120-T123 PolarHBondContact OD1-OG1 3.38Å; T123-L127 HydrophobicContact CG2-CD2 4.15Å; T123-L128 HydrophobicContact CG2-CB 3.83Å
124	T	90.3	Very high	89.7	Confident	75 Å²	75	69.4 Å²	69.4	46%	0.46	36%	0.361	S	S	.	.			trans	-84.3	150.3	173.8	64.3	0	0	0	0	111.2	D126 L127 L128	T124-D126 VanDerWaalsContact C-N 3.25Å; T124-D126 PolarHBondContact O-N 2.88Å; T124-L127 PolarHBondContact O-N 2.78Å; T124-L127 VanDerWaalsContact O-N 3.15Å; T124-L127 VanDerWaalsContact OG1-CB 3.25Å; T124-L127 WeakPolarHBondContact OG1-CB 3.35Å; T124-L127 PolarHBondContact OG1-N 2.98Å; T124-L128 PolarHBondContact O-N 3.36Å
125	P	86.7	Confident	89.6	Confident	79 Å²	79	70.9 Å²	70.9	51%	0.513	37%	0.371	S	S	.	.	H	α-helix	trans	-56.4	-37.3	-179.8	-28.1	36.1	0	0	0	113.9	Q129	P125-Q129 VanDerWaalsContact O-CG 3.29Å; P125-Q129 WeakPolarHBondContact O-CG 3.44Å; P125-Q129 PolarHBondContact O-N 3.13Å
126	D	88.3	Confident	89.6	Confident	120 Å²	120	68.5 Å²	68.5	64%	0.642	36%	0.363	S	S	*	.	H	α-helix	trans	-71.5	-38.3	178.9	-58.1	-45.6	0	0	0	112.2	T124 Q129 Q130	T124-D126 VanDerWaalsContact C-N 3.25Å; T124-D126 PolarHBondContact O-N 2.88Å; D126-Q129 PolarHBondContact O-N 2.86Å; D126-Q130 PolarHBondContact O-N 3.28Å
127	L	90.3	Very high	89.5	Confident	105 Å²	105	67.6 Å²	67.6	55%	0.55	36%	0.36	S	S	.	.	H	α-helix	trans	-65	-43	176	-170.5	153.1	0	0	0	110.7	T123 T124 Q130 A131	T123-L127 HydrophobicContact CG2-CD2 4.15Å; T124-L127 PolarHBondContact O-N 2.78Å; T124-L127 VanDerWaalsContact O-N 3.15Å; T124-L127 VanDerWaalsContact OG1-CB 3.25Å; T124-L127 WeakPolarHBondContact OG1-CB 3.35Å; T124-L127 PolarHBondContact OG1-N 2.98Å; L127-Q130 PolarHBondContact O-N 3.29Å; L127-A131 PolarHBondContact O-N 3.22Å
128	L	89.6	Confident	89.5	Confident	6 Å²	6	71.6 Å²	71.6	3%	0.031	38%	0.376	C	S	.	.	H	α-helix	trans	-62.4	-44.8	174.6	-176.5	54.1	0	0	0	111.9	H35 W119 T123 T124 Q130 A131 E132	H35-L128 HydrophobicContact CB-CD2 3.57Å; H35-L128 WeakPolarHBondContact ND1-CD2 3.35Å; W119-L128 HydrophobicContact CB-CD1 3.78Å; W119-L128 HydrophobicContact CB-CD2 4.03Å; W119-L128 HydrophobicContact CB-CG 4.49Å; W119-L128 HydrophobicContact CD2-CD2 4.4Å; W119-L128 HydrophobicContact CG-CD1 4.22Å; W119-L128 HydrophobicContact CG-CD2 3.91Å; T123-L128 HydrophobicContact CG2-CB 3.83Å; T124-L128 PolarHBondContact O-N 3.36Å; L128-Q130 PolarHBondContact O-N 3.18Å; L128-A131 PolarHBondContact O-N 2.8Å; L128-E132 HydrophobicContact CD1-CG 4.12Å; L128-E132 HydrophobicContact CG-CG 4.33Å; L128-E132 WeakPolarHBondContact O-CB 3.3Å; L128-E132 VanDerWaalsContact O-CG 3.28Å; L128-E132 WeakPolarHBondContact O-CG 3.2Å; L128-E132 PolarHBondContact O-N 3.29Å
129	Q	88.1	Confident	89.7	Confident	85 Å²	85	63.8 Å²	63.8	40%	0.397	34%	0.339	S	S	.	.	H	α-helix	trans	-59.9	-35.3	176.5	-76.3	-179.6	54	0	0	112.5	P125 D126 K133	P125-Q129 VanDerWaalsContact O-CG 3.29Å; P125-Q129 WeakPolarHBondContact O-CG 3.44Å; P125-Q129 PolarHBondContact O-N 3.13Å; D126-Q129 PolarHBondContact O-N 2.86Å; Q129-K133 VanDerWaalsContact O-CG 3.29Å; Q129-K133 WeakPolarHBondContact O-CG 3.25Å; Q129-K133 PolarHBondContact O-N 3.22Å
130	Q	89.6	Confident	89.7	Confident	83 Å²	83	61.6 Å²	61.6	39%	0.388	33%	0.331	S	S	.	.	H	α-helix	trans	-72.9	-45.5	176.4	-168.3	57.8	36.7	0	0	111.5	D126 L127 L128 E132 K133 D134	D126-Q130 PolarHBondContact O-N 3.28Å; L127-Q130 PolarHBondContact O-N 3.29Å; L128-Q130 PolarHBondContact O-N 3.18Å; Q130-E132 VanDerWaalsContact C-N 3.31Å; Q130-E132 PolarHBondContact O-N 3.03Å; Q130-K133 WeakPolarHBondContact O-CB 3.26Å; Q130-K133 PolarHBondContact O-N 2.71Å; Q130-K133 VanDerWaalsContact O-N 3.1Å; Q130-D134 PolarHBondContact NE2-OD1 2.9Å; Q130-D134 VanDerWaalsContact O-CG 3.25Å; Q130-D134 PolarHBondContact O-N 2.77Å
131	A	91.6	Very high	89.7	Confident	31 Å²	31	65.1 Å²	65.1	26%	0.256	34%	0.339	S	S	.	.	H	α-helix	trans	-58.4	-41.3	175.4	0	0	0	0	0	112.4	P117 L127 L128 D134 S135	P117-A131 HydrophobicContact CB-CB 4.15Å; P117-A131 HydrophobicContact CG-CB 4.14Å; L127-A131 PolarHBondContact O-N 3.22Å; L128-A131 PolarHBondContact O-N 2.8Å; A131-D134 PolarHBondContact O-N 3.22Å; A131-S135 VanDerWaalsContact O-CB 3.27Å; A131-S135 WeakPolarHBondContact O-CB 3.2Å; A131-S135 PolarHBondContact O-N 2.97Å
132	E	92.3	Very high	89.9	Confident	6 Å²	6	61.2 Å²	61.2	3%	0.028	32%	0.321	C	S	.	.	H	α-helix	trans	-62.2	-41	174.6	-74	176.2	169.7	0	0	112.1	R116 L128 Q130 F136 R165 W168	R116-E132 IonicContact CZ-OE1 3.76Å; R116-E132 IonicContact NE-OE1 3.11Å; R116-E132 PolarHBondContact NE-OE1 3.02Å; R116-E132 IonicContact NH2-OE1 2.98Å; R116-E132 PolarHBondContact NH2-OE1 2.94Å; L128-E132 HydrophobicContact CD1-CG 4.12Å; L128-E132 HydrophobicContact CG-CG 4.33Å; L128-E132 WeakPolarHBondContact O-CB 3.3Å; L128-E132 VanDerWaalsContact O-CG 3.28Å; L128-E132 WeakPolarHBondContact O-CG 3.2Å; L128-E132 PolarHBondContact O-N 3.29Å; Q130-E132 VanDerWaalsContact C-N 3.31Å; Q130-E132 PolarHBondContact O-N 3.03Å; E132-F136 VanDerWaalsContact O-CB 3.22Å; E132-F136 WeakPolarHBondContact O-CB 3.29Å; E132-F136 PolarHBondContact O-N 3.16Å; E132-F136 VanDerWaalsContact O-N 3.1Å; E132-R165 IonicContact OE2-CZ 2.8Å; E132-R165 IonicContact OE2-NE 3.21Å; E132-R165 PolarHBondContact OE2-NE 3.3Å; E132-R165 IonicContact OE2-NH2 3.91Å; E132-R165 PolarHBondContact OE2-NH2 2.65Å; E132-W168 HydrophobicContact CB-CH2 4.28Å; E132-W168 HydrophobicContact CB-CZ3 4.01Å; E132-W168 HydrophobicContact CG-CH2 4.25Å; E132-W168 HydrophobicContact CG-CZ3 3.66Å
133	K	90.9	Very high	89.8	Confident	70 Å²	70	56.7 Å²	56.7	30%	0.304	29%	0.289	S	S	.	.	H	α-helix	trans	-66.3	-46.3	175.1	-74.3	171.1	-174.7	176.8	0	112.1	Q129 Q130 F136 L137 L161	Q129-K133 VanDerWaalsContact O-CG 3.29Å; Q129-K133 WeakPolarHBondContact O-CG 3.25Å; Q129-K133 PolarHBondContact O-N 3.22Å; Q130-K133 WeakPolarHBondContact O-CB 3.26Å; Q130-K133 PolarHBondContact O-N 2.71Å; Q130-K133 VanDerWaalsContact O-N 3.1Å; K133-F136 PolarHBondContact O-N 3.07Å; K133-L137 VanDerWaalsContact O-CB 3.29Å; K133-L137 WeakPolarHBondContact O-CB 3.49Å; K133-L137 PolarHBondContact O-N 2.87Å; K133-L161 HydrophobicContact CG-CD2 3.88Å
134	D	91.3	Very high	89.6	Confident	79 Å²	79	57.7 Å²	57.7	42%	0.422	30%	0.299	S	S	.	.	H	α-helix	trans	-65.3	-44	-176.1	-66.4	-21.4	0	0	0	110.7	Q130 A131 L137 Q138	Q130-D134 PolarHBondContact NE2-OD1 2.9Å; Q130-D134 VanDerWaalsContact O-CG 3.25Å; Q130-D134 PolarHBondContact O-N 2.77Å; A131-D134 PolarHBondContact O-N 3.22Å; D134-L137 PolarHBondContact O-N 2.9Å; D134-Q138 PolarHBondContact O-N 2.8Å
135	S	92.8	Very high	89.4	Confident	35 Å²	35	59.3 Å²	59.3	25%	0.245	30%	0.302	C	S	.	.	H	α-helix	trans	-60.3	-45.9	173.3	177.5	0	0	0	0	112.1	R115 A131 L137 Q138 W139	R115-S135 PolarHBondContact O-OG 3.17Å; A131-S135 VanDerWaalsContact O-CB 3.27Å; A131-S135 WeakPolarHBondContact O-CB 3.2Å; A131-S135 PolarHBondContact O-N 2.97Å; S135-L137 PolarHBondContact O-N 2.68Å; S135-Q138 PolarHBondContact O-N 3.45Å; S135-W139 PolarHBondContact O-N 2.84Å
136	F	92.1	Very high	89.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.9	-36.3	177.8	-175.4	-109.5	0	0	0	113	L68 P114 E132 K133 W139 R140 R159 L161 W164	L68-F136 HydrophobicContact CD1-CD1 4.03Å; L68-F136 HydrophobicContact CD1-CE1 4.01Å; P114-F136 HydrophobicContact CB-CD2 4.27Å; P114-F136 HydrophobicContact CG-CD2 4.15Å; P114-F136 HydrophobicContact CG-CE2 4.42Å; E132-F136 VanDerWaalsContact O-CB 3.22Å; E132-F136 WeakPolarHBondContact O-CB 3.29Å; E132-F136 PolarHBondContact O-N 3.16Å; E132-F136 VanDerWaalsContact O-N 3.1Å; K133-F136 PolarHBondContact O-N 3.07Å; F136-W139 AromaticContact CD2-CE3 3.68Å; F136-W139 HydrophobicContact CD2-CE3 3.68Å; F136-W139 AromaticContact CD2-CZ3 3.95Å; F136-W139 HydrophobicContact CD2-CZ3 3.95Å; F136-W139 AromaticContact CE2-CE3 3.5Å; F136-W139 HydrophobicContact CE2-CE3 3.5Å; F136-W139 VanDerWaalsContact CE2-CE3 3.5Å; F136-W139 HydrophobicContact CE2-CH2 4.27Å; F136-W139 AromaticContact CE2-CZ3 3.26Å; F136-W139 HydrophobicContact CE2-CZ3 3.26Å; F136-W139 HydrophobicContact CZ-CE3 4.25Å; F136-W139 AromaticContact CZ-CZ3 3.81Å; F136-W139 HydrophobicContact CZ-CZ3 3.81Å; F136-W139 PolarHBondContact O-N 3.1Å; F136-R140 HydrophobicContact CE1-CG 4.28Å; F136-R140 HydrophobicContact CZ-CG 4.33Å; F136-R140 WeakPolarHBondContact O-CG 3.28Å; F136-R140 PolarHBondContact O-N 3.01Å; F136-R159 WeakPolarHBondContact CE1-O 3.45Å; F136-R159 WeakPolarHBondContact CZ-O 3.5Å; F136-L161 HydrophobicContact CB-CD1 3.85Å; F136-L161 HydrophobicContact CD1-CB 3.94Å; F136-L161 HydrophobicContact CD1-CD1 4.25Å; F136-L161 HydrophobicContact CD2-CD1 4.07Å; F136-L161 HydrophobicContact CE1-CB 4.01Å; F136-L161 HydrophobicContact CG-CB 4.34Å; F136-L161 HydrophobicContact CG-CD1 3.8Å; F136-L161 HydrophobicContact CZ-CB 4.48Å; F136-W164 AromaticContact CE2-CD1 3.31Å; F136-W164 HydrophobicContact CE2-CG 4.02Å; F136-W164 AromaticContact CE2-NE1 3.59Å; F136-W164 AromaticContact CZ-CD1 3.87Å
137	L	89.9	Confident	88.9	Confident	10 Å²	10	53.7 Å²	53.7	5%	0.052	27%	0.265	C	S	.	.	H	α-helix	trans	-68.7	-39.3	175.8	-178.7	63.1	0	0	0	111.7	T65 A69 K133 D134 S135 R140 R141	T65-L137 HydrophobicContact CG2-CD1 3.72Å; A69-L137 HydrophobicContact CB-CD2 3.83Å; K133-L137 VanDerWaalsContact O-CB 3.29Å; K133-L137 WeakPolarHBondContact O-CB 3.49Å; K133-L137 PolarHBondContact O-N 2.87Å; D134-L137 PolarHBondContact O-N 2.9Å; S135-L137 PolarHBondContact O-N 2.68Å; L137-R140 PolarHBondContact O-N 3.36Å; L137-R141 WeakPolarHBondContact O-CG 3.35Å; L137-R141 PolarHBondContact O-N 2.8Å
138	Q	90.5	Very high	88.5	Confident	114 Å²	114	55.8 Å²	55.8	53%	0.533	27%	0.272	S	S	.	.	H	α-helix	trans	-60.8	-51.1	172.1	177.6	178.1	-18.9	0	0	110.8	D134 S135 R140 R141 E142	D134-Q138 PolarHBondContact O-N 2.8Å; S135-Q138 PolarHBondContact O-N 3.45Å; Q138-R140 VanDerWaalsContact C-N 3.31Å; Q138-R140 PolarHBondContact O-N 3.01Å; Q138-R141 WeakPolarHBondContact O-CA 3.33Å; Q138-R141 WeakPolarHBondContact O-CB 3.37Å; Q138-R141 PolarHBondContact O-N 3.21Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.3Å; Q138-E142 PolarHBondContact NE2-OE1 3.14Å; Q138-E142 PolarHBondContact O-N 2.86Å
139	W	91.6	Very high	87.9	Confident	14 Å²	14	62.5 Å²	62.5	5%	0.053	30%	0.303	C	S	.	.	H	α-helix	trans	-55.4	-42.6	177.5	170	77.1	0	0	0	113	R112 P114 S135 F136 R141 E142 L143 F157 W164 P422	R112-W139 PolarHBondContact O-NE1 3.08Å; P114-W139 HydrophobicContact CB-CB 4.26Å; P114-W139 HydrophobicContact CB-CD2 4.02Å; P114-W139 HydrophobicContact CB-CE3 4.41Å; P114-W139 HydrophobicContact CB-CG 3.94Å; P114-W139 HydrophobicContact CG-CD2 4.08Å; P114-W139 HydrophobicContact CG-CE3 4.27Å; P114-W139 HydrophobicContact CG-CG 4.49Å; P114-W139 HydrophobicContact CG-CZ2 4.43Å; S135-W139 PolarHBondContact O-N 2.84Å; F136-W139 AromaticContact CD2-CE3 3.68Å; F136-W139 HydrophobicContact CD2-CE3 3.68Å; F136-W139 AromaticContact CD2-CZ3 3.95Å; F136-W139 HydrophobicContact CD2-CZ3 3.95Å; F136-W139 AromaticContact CE2-CE3 3.5Å; F136-W139 HydrophobicContact CE2-CE3 3.5Å; F136-W139 VanDerWaalsContact CE2-CE3 3.5Å; F136-W139 HydrophobicContact CE2-CH2 4.27Å; F136-W139 AromaticContact CE2-CZ3 3.26Å; F136-W139 HydrophobicContact CE2-CZ3 3.26Å; F136-W139 HydrophobicContact CZ-CE3 4.25Å; F136-W139 AromaticContact CZ-CZ3 3.81Å; F136-W139 HydrophobicContact CZ-CZ3 3.81Å; F136-W139 PolarHBondContact O-N 3.1Å; W139-R141 VanDerWaalsContact C-N 3.31Å; W139-R141 PolarHBondContact O-N 2.75Å; W139-E142 PolarHBondContact O-N 3.36Å; W139-L143 HydrophobicContact CD2-CD1 4.24Å; W139-L143 HydrophobicContact CH2-CD1 3.92Å; W139-L143 HydrophobicContact CZ2-CD1 3.38Å; W139-L143 PolarHBondContact O-N 2.95Å; W139-L143 VanDerWaalsContact O-N 3.11Å; W139-F157 AromaticContact CH2-CD2 3.59Å; W139-F157 HydrophobicContact CH2-CD2 3.59Å; W139-F157 AromaticContact CH2-CE2 3.89Å; W139-F157 HydrophobicContact CH2-CE2 3.89Å; W139-F157 HydrophobicContact CH2-CG 4.43Å; W139-F157 HydrophobicContact CZ2-CD2 4.4Å; W139-F157 HydrophobicContact CZ3-CD2 4.22Å; W139-F157 HydrophobicContact CZ3-CE2 4.13Å; W139-W164 AromaticContact CH2-CE2 3.95Å; W139-W164 AromaticContact CH2-CZ2 3.67Å; W139-W164 HydrophobicContact CH2-CZ2 3.67Å; W139-W164 HydrophobicContact CZ2-CH2 4.4Å; W139-W164 AromaticContact CZ2-CZ2 3.95Å; W139-W164 HydrophobicContact CZ2-CZ2 3.95Å; W139-P422 HydrophobicContact CH2-CG 4.48Å; W139-P422 HydrophobicContact CZ2-CG 3.7Å
140	R	89.6	Confident	87.1	Confident	20 Å²	20	62.1 Å²	62.1	8%	0.075	30%	0.301	C	S	.	.	H	α-helix	trans	-62.4	-34.8	174.4	-76.5	-175.2	69.2	-161.1	1.1	113.1	D61 T65 F136 L137 Q138 A144	D61-R140 IonicContact OD1-CZ 3.84Å; D61-R140 IonicContact OD1-NH2 3.65Å; D61-R140 PolarHBondContact OD1-NH2 2.9Å; T65-R140 PolarHBondContact OG1-NH1 2.73Å; T65-R140 PolarHBondContact OG1-NH2 2.69Å; F136-R140 HydrophobicContact CE1-CG 4.28Å; F136-R140 HydrophobicContact CZ-CG 4.33Å; F136-R140 WeakPolarHBondContact O-CG 3.28Å; F136-R140 PolarHBondContact O-N 3.01Å; L137-R140 PolarHBondContact O-N 3.36Å; Q138-R140 VanDerWaalsContact C-N 3.31Å; Q138-R140 PolarHBondContact O-N 3.01Å; R140-A144 WeakPolarHBondContact O-CB 3.48Å; R140-A144 PolarHBondContact O-N 2.85Å
141	R	87.3	Confident	86.3	Confident	144 Å²	144	64.3 Å²	64.3	54%	0.543	31%	0.31	S	S	.	.	H	α-helix	trans	-69.3	-40.8	176.8	-70.3	167.9	178.9	169.3	1.4	111.6	L137 Q138 W139 A144 Q145	L137-R141 WeakPolarHBondContact O-CG 3.35Å; L137-R141 PolarHBondContact O-N 2.8Å; Q138-R141 WeakPolarHBondContact O-CA 3.33Å; Q138-R141 WeakPolarHBondContact O-CB 3.37Å; Q138-R141 PolarHBondContact O-N 3.21Å; W139-R141 VanDerWaalsContact C-N 3.31Å; W139-R141 PolarHBondContact O-N 2.75Å; R141-A144 PolarHBondContact O-N 2.81Å; R141-Q145 WeakPolarHBondContact O-CG 3.34Å; R141-Q145 PolarHBondContact O-N 2.91Å
142	E	88.3	Confident	85.8	Confident	89 Å²	89	63.1 Å²	63.1	42%	0.416	30%	0.299	S	S	.	.	H	α-helix	trans	-61.3	-46.1	176.4	-68.7	169.2	-170.3	0	0	110.8	Q138 W139 Q145 L146	Q138-E142 WeakPolarHBondContact CG-OE1 3.3Å; Q138-E142 PolarHBondContact NE2-OE1 3.14Å; Q138-E142 PolarHBondContact O-N 2.86Å; W139-E142 PolarHBondContact O-N 3.36Å; E142-Q145 PolarHBondContact O-N 2.83Å; E142-L146 WeakPolarHBondContact O-CG 3.24Å; E142-L146 PolarHBondContact O-N 2.97Å
143	L	86.8	Confident	85.2	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-65.1	-39.5	175.1	-66.9	-175.8	0	0	0	113.3	W139 Q145 L146 E147 L154 F157 P422	W139-L143 HydrophobicContact CD2-CD1 4.24Å; W139-L143 HydrophobicContact CH2-CD1 3.92Å; W139-L143 HydrophobicContact CZ2-CD1 3.38Å; W139-L143 PolarHBondContact O-N 2.95Å; W139-L143 VanDerWaalsContact O-N 3.11Å; L143-Q145 VanDerWaalsContact C-N 3.31Å; L143-Q145 PolarHBondContact O-N 3.05Å; L143-L146 HydrophobicContact CD2-CD1 3.97Å; L143-L146 WeakPolarHBondContact O-CB 3.36Å; L143-L146 PolarHBondContact O-N 2.75Å; L143-E147 PolarHBondContact O-N 2.74Å; L143-E147 VanDerWaalsContact O-N 3.13Å; L143-L154 HydrophobicContact CB-CD1 4.3Å; L143-L154 HydrophobicContact CD2-CD1 4.17Å; L143-F157 HydrophobicContact CB-CZ 4.33Å; L143-F157 HydrophobicContact CD1-CD1 4.24Å; L143-F157 HydrophobicContact CD1-CD2 4.34Å; L143-F157 HydrophobicContact CD1-CE1 3.94Å; L143-F157 HydrophobicContact CD1-CE2 4.01Å; L143-F157 HydrophobicContact CD1-CG 4.44Å; L143-F157 HydrophobicContact CD1-CZ 3.81Å; L143-P422 HydrophobicContact CD1-CB 4.23Å; L143-P422 HydrophobicContact CD1-CG 3.7Å; L143-P422 HydrophobicContact CD2-CB 4.43Å
144	A	84.5	Confident	85	Confident	44 Å²	44	61.9 Å²	61.9	36%	0.364	30%	0.296	S	S	.	.	H	α-helix	trans	-63.8	-35.9	177.4	0	0	0	0	0	112.4	R140 R141 E147 E148	R140-A144 WeakPolarHBondContact O-CB 3.48Å; R140-A144 PolarHBondContact O-N 2.85Å; R141-A144 PolarHBondContact O-N 2.81Å; A144-E147 PolarHBondContact O-N 3.41Å; A144-E148 PolarHBondContact O-N 3.44Å
145	Q	84.8	Confident	84.8	Confident	109 Å²	109	58.2 Å²	58.2	51%	0.509	28%	0.276	S	S	.	.	H	α-helix	trans	-62.1	-41.5	173.6	-74.2	168.2	-9.8	0	0	111.6	R141 E142 L143 E147 E148 E149	R141-Q145 WeakPolarHBondContact O-CG 3.34Å; R141-Q145 PolarHBondContact O-N 2.91Å; E142-Q145 PolarHBondContact O-N 2.83Å; L143-Q145 VanDerWaalsContact C-N 3.31Å; L143-Q145 PolarHBondContact O-N 3.05Å; Q145-E147 PolarHBondContact O-N 3.08Å; Q145-E148 PolarHBondContact O-N 2.56Å; Q145-E149 VanDerWaalsContact O-CB 3.28Å; Q145-E149 WeakPolarHBondContact O-CB 3.39Å; Q145-E149 WeakPolarHBondContact O-CG 3.15Å; Q145-E149 PolarHBondContact O-N 3.45Å
146	L	83.1	Confident	84.3	Confident	14 Å²	14	57 Å²	57	7%	0.073	27%	0.268	C	S	.	.	H	α-helix	trans	-63.8	-40.9	176.1	-59.7	166.9	0	0	0	112.6	F110 E142 L143 Q150	F110-L146 HydrophobicContact CB-CD1 3.56Å; F110-L146 HydrophobicContact CB-CD2 3.89Å; F110-L146 HydrophobicContact CB-CG 4.33Å; F110-L146 HydrophobicContact CD1-CD2 4.34Å; F110-L146 HydrophobicContact CD2-CD2 3.71Å; F110-L146 HydrophobicContact CE2-CD2 4.26Å; F110-L146 HydrophobicContact CG-CD1 4.34Å; F110-L146 HydrophobicContact CG-CD2 3.76Å; E142-L146 WeakPolarHBondContact O-CG 3.24Å; E142-L146 PolarHBondContact O-N 2.97Å; L143-L146 HydrophobicContact CD2-CD1 3.97Å; L143-L146 WeakPolarHBondContact O-CB 3.36Å; L143-L146 PolarHBondContact O-N 2.75Å; L146-Q150 WeakPolarHBondContact O-CB 3.46Å; L146-Q150 PolarHBondContact O-N 3.18Å
147	E	81.8	Confident	84.2	Confident	67 Å²	67	57.3 Å²	57.3	31%	0.313	27%	0.269	S	S	.	.	H	α-helix	trans	-66.2	-41.3	177.1	-69.4	-170.4	152.3	0	0	111.7	L143 A144 Q145 K151 L154	L143-E147 PolarHBondContact O-N 2.74Å; L143-E147 VanDerWaalsContact O-N 3.13Å; A144-E147 PolarHBondContact O-N 3.41Å; Q145-E147 PolarHBondContact O-N 3.08Å; E147-K151 WeakPolarHBondContact O-CA 3.49Å; E147-K151 PolarHBondContact O-N 3.35Å; E147-L154 HydrophobicContact CG-CD1 3.81Å; E147-L154 HydrophobicContact CG-CG 4.07Å
148	E	81.1	Confident	84.1	Confident	149 Å²	149	56.9 Å²	56.9	70%	0.696	27%	0.266	S	S	*	.	H	α-helix	trans	-76.3	-46.9	179.8	-72.1	-161.2	-172.9	0	0	113.9	A144 Q145	A144-E148 PolarHBondContact O-N 3.44Å; Q145-E148 PolarHBondContact O-N 2.56Å
149	E	78.1	Confident	83.9	Confident	147 Å²	147	53.3 Å²	53.3	69%	0.687	25%	0.248	S	C	*	.	H	α-helix	trans	-78.4	-50.6	-172.1	-66.2	-175.9	177.5	0	0	112.4	Q145	Q145-E149 VanDerWaalsContact O-CB 3.28Å; Q145-E149 WeakPolarHBondContact O-CB 3.39Å; Q145-E149 WeakPolarHBondContact O-CG 3.15Å; Q145-E149 PolarHBondContact O-N 3.45Å
150	Q	70.9	Confident	83.6	Confident	77 Å²	77	54.9 Å²	54.9	36%	0.36	26%	0.257	S	S	.	.	S	Bend	trans	-88.2	-7.3	-175.8	-59.7	-65.2	-16.3	0	0	112.7	L146 L152	L146-Q150 WeakPolarHBondContact O-CB 3.46Å; L146-Q150 PolarHBondContact O-N 3.18Å; Q150-L152 HydrophobicContact CB-CB 4.48Å; Q150-L152 HydrophobicContact CB-CD1 3.77Å; Q150-L152 HydrophobicContact CB-CG 3.75Å; Q150-L152 HydrophobicContact CG-CD1 4.42Å; Q150-L152 PolarHBondContact O-N 3.07Å
151	K	73.9	Confident	83.5	Confident	129 Å²	129	54.4 Å²	54.4	56%	0.561	26%	0.256	S	S	*	.			trans	50	37	-170.9	-58	-174.4	177.2	-172	0	111.7	R88 E147	R88-K151 PolarHBondContact NH1-O 3.06Å; R88-K151 PolarHBondContact NH2-O 3.33Å; E147-K151 WeakPolarHBondContact O-CA 3.49Å; E147-K151 PolarHBondContact O-N 3.35Å
152	L	79.9	Confident	83.4	Confident	6 Å²	6	48.6 Å²	48.6	3%	0.031	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-80.2	147.3	177.3	-73.2	172.8	0	0	0	110.1	L100 L103 N107 Q150 F424	L100-L152 HydrophobicContact CD2-CD2 4.4Å; L103-L152 HydrophobicContact CD2-CD2 3.65Å; L103-L152 HydrophobicContact CD2-CG 4.17Å; L103-L152 HydrophobicContact CG-CD1 4.32Å; L103-L152 HydrophobicContact CG-CD2 3.96Å; L103-L152 HydrophobicContact CG-CG 4.45Å; N107-L152 HydrophobicContact CB-CD1 4.02Å; Q150-L152 HydrophobicContact CB-CB 4.48Å; Q150-L152 HydrophobicContact CB-CD1 3.77Å; Q150-L152 HydrophobicContact CB-CG 3.75Å; Q150-L152 HydrophobicContact CG-CD1 4.42Å; Q150-L152 PolarHBondContact O-N 3.07Å; L152-F424 HydrophobicContact CB-CD1 4.13Å; L152-F424 HydrophobicContact CB-CE1 4.04Å; L152-F424 HydrophobicContact CD1-CD1 4.01Å; L152-F424 HydrophobicContact CD1-CE1 3.45Å; L152-F424 VanDerWaalsContact CD1-CE1 3.45Å; L152-F424 HydrophobicContact CD1-CZ 3.86Å; L152-F424 HydrophobicContact CG-CD1 4.46Å; L152-F424 HydrophobicContact CG-CE1 4.27Å
153	I	80.9	Confident	83.4	Confident	43 Å²	43	44.5 Å²	44.5	22%	0.221	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-100.9	117	174.1	-68.5	175.1	0	0	0	107.3	R88 V425 M431	R88-I153 HydrophobicContact CB-CD1 4.21Å; R88-I153 HydrophobicContact CG-CD1 4.45Å; I153-V425 PolarHBondContact O-N 3.45Å; I153-M431 HydrophobicContact CG2-CE 3.39Å
154	L	85.9	Confident	83.6	Confident	8 Å²	8	44.4 Å²	44.4	4%	0.042	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-89.4	155.8	173	-60.5	-180	0	0	0	110.6	L111 L143 E147 F157 S423 F424 M431	L111-L154 HydrophobicContact CD2-CD2 3.6Å; L143-L154 HydrophobicContact CB-CD1 4.3Å; L143-L154 HydrophobicContact CD2-CD1 4.17Å; E147-L154 HydrophobicContact CG-CD1 3.81Å; E147-L154 HydrophobicContact CG-CG 4.07Å; L154-F157 HydrophobicContact CD1-CD1 4.45Å; L154-F157 HydrophobicContact CD1-CE1 4.1Å; L154-S423 CarbonylContact C-O 3.59Å; L154-S423 WeakPolarHBondContact CA-O 3.36Å; L154-F424 HydrophobicContact CD2-CD1 3.54Å; L154-F424 HydrophobicContact CD2-CE1 3.56Å; L154-M431 WeakPolarHBondContact O-CE 3.37Å
155	T	85.9	Confident	83.8	Confident	1 Å²	1	44 Å²	44	1%	0.006	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-51.9	150.2	158.9	44.4	0	0	0	0	110.8	F157 M421 P422 S423 V425 I436	T155-F157 WeakPolarHBondContact O-CD1 3.32Å; T155-F157 PolarHBondContact O-N 3.12Å; T155-M421 PolarHBondContact OG1-O 3.48Å; T155-P422 WeakPolarHBondContact OG1-CA 3.38Å; T155-S423 PolarHBondContact N-O 3.47Å; T155-S423 PolarHBondContact OG1-N 2.67Å; T155-S423 PolarHBondContact OG1-O 2.92Å; T155-V425 HydrophobicContact CG2-CG2 3.44Å; T155-V425 VanDerWaalsContact CG2-CG2 3.44Å; T155-I436 HydrophobicContact CG2-CD1 4.32Å
156	P	84.1	Confident	84	Confident	11 Å²	11	39.4 Å²	39.4	7%	0.071	18%	0.183	C	C	.	.			trans	-72.5	80	177.2	33.9	-38.8	0	0	0	109.4	T54 E55 V420 I436 L437	T54-P156 VanDerWaalsContact CB-O 3.25Å; T54-P156 WeakPolarHBondContact CB-O 3.38Å; T54-P156 WeakPolarHBondContact CG2-O 3.37Å; T54-P156 VanDerWaalsContact O-CB 3.28Å; T54-P156 WeakPolarHBondContact O-CB 3.42Å; E55-P156 HydrophobicContact CG-CB 4.03Å; P156-V420 HydrophobicContact CG-CG1 4.45Å; P156-V420 WeakPolarHBondContact O-CB 3.3Å; P156-V420 WeakPolarHBondContact O-CG1 3.11Å; P156-I436 HydrophobicContact CG-CG2 3.81Å; P156-L437 HydrophobicContact CB-CD2 4.11Å; P156-L437 HydrophobicContact CG-CD2 3.67Å; P156-L437 HydrophobicContact CG-CG 4.12Å
157	F	88.2	Confident	84.4	Confident	6 Å²	6	38.8 Å²	38.8	3%	0.026	18%	0.18	C	C	.	.			trans	-70	156.4	-174.7	62	-95.6	0	0	0	112.2	W139 L143 L154 T155 R159 V420 P422	W139-F157 AromaticContact CH2-CD2 3.59Å; W139-F157 HydrophobicContact CH2-CD2 3.59Å; W139-F157 AromaticContact CH2-CE2 3.89Å; W139-F157 HydrophobicContact CH2-CE2 3.89Å; W139-F157 HydrophobicContact CH2-CG 4.43Å; W139-F157 HydrophobicContact CZ2-CD2 4.4Å; W139-F157 HydrophobicContact CZ3-CD2 4.22Å; W139-F157 HydrophobicContact CZ3-CE2 4.13Å; L143-F157 HydrophobicContact CB-CZ 4.33Å; L143-F157 HydrophobicContact CD1-CD1 4.24Å; L143-F157 HydrophobicContact CD1-CD2 4.34Å; L143-F157 HydrophobicContact CD1-CE1 3.94Å; L143-F157 HydrophobicContact CD1-CE2 4.01Å; L143-F157 HydrophobicContact CD1-CG 4.44Å; L143-F157 HydrophobicContact CD1-CZ 3.81Å; L154-F157 HydrophobicContact CD1-CD1 4.45Å; L154-F157 HydrophobicContact CD1-CE1 4.1Å; T155-F157 WeakPolarHBondContact O-CD1 3.32Å; T155-F157 PolarHBondContact O-N 3.12Å; F157-R159 HydrophobicContact CD2-CG 4.12Å; F157-R159 HydrophobicContact CE2-CG 3.86Å; F157-R159 PolarHBondContact O-N 3.37Å; F157-V420 WeakPolarHBondContact CA-O 3.5Å; F157-P422 HydrophobicContact CB-CG 3.95Å; F157-P422 HydrophobicContact CD1-CG 4.46Å; F157-P422 HydrophobicContact CG-CG 4.19Å
158	E	88.7	Confident	85	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.165	C	C	.	.			trans	-70.8	123.2	-179.4	-178.2	55.2	-106.9	0	0	112	S52 V53 N160 F163 W164 L419 V420	S52-E158 WeakPolarHBondContact CA-OE2 3.13Å; S52-E158 WeakPolarHBondContact CB-OE2 3.3Å; S52-E158 PolarHBondContact OG-OE2 2.83Å; V53-E158 PolarHBondContact N-OE1 2.9Å; V53-E158 PolarHBondContact N-OE2 3.45Å; V53-E158 VanDerWaalsContact N-OE2 3.11Å; E158-N160 HydrophobicContact CG-CB 4.46Å; E158-N160 WeakPolarHBondContact OE1-CB 3.44Å; E158-N160 PolarHBondContact OE1-N 2.85Å; E158-F163 HydrophobicContact CG-CB 3.57Å; E158-F163 HydrophobicContact CG-CD1 4.37Å; E158-F163 HydrophobicContact CG-CD2 4.44Å; E158-F163 HydrophobicContact CG-CG 3.91Å; E158-W164 PolarHBondContact O-NE1 3.16Å; E158-L419 HydrophobicContact CB-CD1 3.52Å; E158-L419 HydrophobicContact CB-CG 4.42Å; E158-L419 HydrophobicContact CG-CD1 3.72Å; E158-V420 PolarHBondContact N-O 3.23Å
159	R	85.7	Confident	85.3	Confident	40 Å²	40	29.6 Å²	29.6	15%	0.151	14%	0.136	C	C	.	.			trans	-97.7	-7.5	-178.3	-61	-176.8	178.7	-173.9	-4.2	113.6	V53 D61 F136 F157	V53-R159 HydrophobicContact CG1-CB 4.34Å; V53-R159 PolarHBondContact O-N 3.1Å; D61-R159 WeakPolarHBondContact OD1-CD 3.07Å; D61-R159 IonicContact OD1-CZ 3.63Å; D61-R159 IonicContact OD1-NE 2.74Å; D61-R159 IonicContact OD1-NH1 3.76Å; D61-R159 PolarHBondContact OD1-NH1 3.49Å; D61-R159 IonicContact OD2-CZ 2.94Å; D61-R159 IonicContact OD2-NH1 3.34Å; D61-R159 PolarHBondContact OD2-NH1 2.95Å; F136-R159 WeakPolarHBondContact CE1-O 3.45Å; F136-R159 WeakPolarHBondContact CZ-O 3.5Å; F157-R159 HydrophobicContact CD2-CG 4.12Å; F157-R159 HydrophobicContact CE2-CG 3.86Å; F157-R159 PolarHBondContact O-N 3.37Å
160	N	85.7	Confident	85.9	Confident	46 Å²	46	22.6 Å²	22.6	25%	0.246	10%	0.103	C	C	.	.			trans	-86.1	113.6	175.8	-172.1	-15.9	0	0	0	111.9	Q51 E158 E162 F163	Q51-N160 PolarHBondContact O-ND2 3.06Å; E158-N160 HydrophobicContact CG-CB 4.46Å; E158-N160 WeakPolarHBondContact OE1-CB 3.44Å; E158-N160 PolarHBondContact OE1-N 2.85Å; N160-E162 PolarHBondContact O-N 3.26Å; N160-E162 VanDerWaalsContact O-N 3.13Å; N160-E162 PolarHBondContact OD1-N 2.88Å; N160-F163 HydrophobicContact CB-CD2 3.97Å; N160-F163 PolarHBondContact O-N 2.98Å; N160-F163 VanDerWaalsContact O-N 3.13Å
161	L	87.6	Confident	87	Confident	11 Å²	11	19 Å²	19	6%	0.058	9%	0.086	C	C	.	.	H	α-helix	trans	-52.5	-33.4	177.2	174.4	60.3	0	0	0	113.3	K133 F136 F163 W164 R165 W168	K133-L161 HydrophobicContact CG-CD2 3.88Å; F136-L161 HydrophobicContact CB-CD1 3.85Å; F136-L161 HydrophobicContact CD1-CB 3.94Å; F136-L161 HydrophobicContact CD1-CD1 4.25Å; F136-L161 HydrophobicContact CD2-CD1 4.07Å; F136-L161 HydrophobicContact CE1-CB 4.01Å; F136-L161 HydrophobicContact CG-CB 4.34Å; F136-L161 HydrophobicContact CG-CD1 3.8Å; F136-L161 HydrophobicContact CZ-CB 4.48Å; L161-F163 PolarHBondContact O-N 2.88Å; L161-W164 PolarHBondContact O-N 3.3Å; L161-W164 VanDerWaalsContact O-N 3.12Å; L161-R165 HydrophobicContact CD1-CG 4.46Å; L161-R165 HydrophobicContact CG-CG 4.46Å; L161-R165 PolarHBondContact O-N 2.66Å; L161-W168 HydrophobicContact CD1-CH2 3.75Å; L161-W168 HydrophobicContact CD1-CZ3 4.06Å
162	E	85.4	Confident	87.7	Confident	21 Å²	21	14.8 Å²	14.8	10%	0.098	7%	0.069	C	C	.	.	H	α-helix	trans	-68.1	-25.2	-176.1	-167	54.6	-135.4	0	0	112.7	W45 L50 N160 R165 Q166 R169	W45-E162 HydrophobicContact CH2-CG 4.34Å; W45-E162 HydrophobicContact CZ3-CG 4.01Å; L50-E162 HydrophobicContact CD1-CG 4.19Å; L50-E162 HydrophobicContact CD2-CB 3.79Å; L50-E162 HydrophobicContact CD2-CG 3.78Å; N160-E162 PolarHBondContact O-N 3.26Å; N160-E162 VanDerWaalsContact O-N 3.13Å; N160-E162 PolarHBondContact OD1-N 2.88Å; E162-R165 WeakPolarHBondContact OE2-CD 3.46Å; E162-R165 IonicContact OE2-CZ 3.46Å; E162-R165 IonicContact OE2-NE 2.7Å; E162-R165 IonicContact OE2-NH1 2.63Å; E162-R165 PolarHBondContact OE2-NH1 3.24Å; E162-Q166 WeakPolarHBondContact O-CG 3.47Å; E162-Q166 PolarHBondContact O-N 3.46Å; E162-Q166 VanDerWaalsContact O-N 3.14Å; E162-Q166 PolarHBondContact OE1-NE2 3.23Å; E162-R169 IonicContact OE1-CZ 2.74Å; E162-R169 IonicContact OE1-NH1 3.77Å; E162-R169 PolarHBondContact OE1-NH1 2.94Å; E162-R169 IonicContact OE1-NH2 2.67Å; E162-R169 PolarHBondContact OE1-NH2 3.42Å; E162-R169 VanDerWaalsContact OE1-NH2 3.1Å
163	F	87.4	Confident	88.1	Confident	3 Å²	3	17 Å²	17	1%	0.013	8%	0.077	C	C	.	.	H	α-helix	trans	-71.4	-39.7	172	-82	-109.4	0	0	0	111.7	L50 Q51 E158 N160 L161 R165 Q166 L167 P417 L419	L50-F163 HydrophobicContact CB-CE2 4.45Å; L50-F163 HydrophobicContact CD2-CE2 4.25Å; Q51-F163 WeakPolarHBondContact O-CE2 3.37Å; E158-F163 HydrophobicContact CG-CB 3.57Å; E158-F163 HydrophobicContact CG-CD1 4.37Å; E158-F163 HydrophobicContact CG-CD2 4.44Å; E158-F163 HydrophobicContact CG-CG 3.91Å; N160-F163 HydrophobicContact CB-CD2 3.97Å; N160-F163 PolarHBondContact O-N 2.98Å; N160-F163 VanDerWaalsContact O-N 3.13Å; L161-F163 PolarHBondContact O-N 2.88Å; F163-R165 VanDerWaalsContact C-N 3.33Å; F163-Q166 WeakPolarHBondContact O-CB 3.43Å; F163-Q166 PolarHBondContact O-N 3.47Å; F163-Q166 VanDerWaalsContact O-N 3.12Å; F163-L167 PolarHBondContact O-N 3.38Å; F163-L167 VanDerWaalsContact O-N 3.08Å; F163-P417 HydrophobicContact CD1-CB 3.66Å; F163-P417 HydrophobicContact CD1-CG 3.83Å; F163-P417 HydrophobicContact CE1-CB 3.65Å; F163-P417 HydrophobicContact CE1-CG 4.29Å; F163-L419 HydrophobicContact CB-CD1 3.88Å
164	W	91.3	Very high	88.6	Confident	0 Å²	0	15 Å²	15	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.9	-36.9	173.7	-67.2	99.8	0	0	0	111.9	I113 P114 F136 W139 E158 L161 Q166 L167 W168 L419 M421	I113-W164 HydrophobicContact CB-CH2 4.13Å; I113-W164 HydrophobicContact CB-CZ3 3.73Å; I113-W164 HydrophobicContact CG2-CH2 3.91Å; I113-W164 HydrophobicContact CG2-CZ3 3.89Å; P114-W164 HydrophobicContact CG-CB 4.41Å; P114-W164 HydrophobicContact CG-CD2 3.55Å; P114-W164 HydrophobicContact CG-CE3 3.56Å; P114-W164 HydrophobicContact CG-CG 3.95Å; P114-W164 HydrophobicContact CG-CZ3 4.09Å; F136-W164 AromaticContact CE2-CD1 3.31Å; F136-W164 HydrophobicContact CE2-CG 4.02Å; F136-W164 AromaticContact CE2-NE1 3.59Å; F136-W164 AromaticContact CZ-CD1 3.87Å; W139-W164 AromaticContact CH2-CE2 3.95Å; W139-W164 AromaticContact CH2-CZ2 3.67Å; W139-W164 HydrophobicContact CH2-CZ2 3.67Å; W139-W164 HydrophobicContact CZ2-CH2 4.4Å; W139-W164 AromaticContact CZ2-CZ2 3.95Å; W139-W164 HydrophobicContact CZ2-CZ2 3.95Å; E158-W164 PolarHBondContact O-NE1 3.16Å; L161-W164 PolarHBondContact O-N 3.3Å; L161-W164 VanDerWaalsContact O-N 3.12Å; W164-Q166 VanDerWaalsContact C-N 3.33Å; W164-Q166 PolarHBondContact O-N 2.94Å; W164-L167 HydrophobicContact CE3-CD2 3.85Å; W164-L167 HydrophobicContact CZ3-CD2 3.8Å; W164-L167 WeakPolarHBondContact O-CB 3.5Å; W164-L167 PolarHBondContact O-N 3.03Å; W164-L167 VanDerWaalsContact O-N 3.11Å; W164-W168 HydrophobicContact CB-CZ2 4.42Å; W164-W168 VanDerWaalsContact O-CG 3.26Å; W164-W168 PolarHBondContact O-N 3.33Å; W164-L419 HydrophobicContact CD2-CD2 4.19Å; W164-L419 HydrophobicContact CE3-CD2 3.75Å; W164-L419 HydrophobicContact CH2-CD2 3.75Å; W164-L419 HydrophobicContact CH2-CG 4.45Å; W164-L419 HydrophobicContact CZ2-CD2 4.18Å; W164-L419 HydrophobicContact CZ3-CD2 3.49Å; W164-L419 VanDerWaalsContact CZ3-CD2 3.49Å; W164-M421 HydrophobicContact CH2-CG 4.27Å
165	R	89.5	Confident	88.9	Confident	36 Å²	36	14.6 Å²	14.6	14%	0.136	7%	0.065	C	C	.	.	H	α-helix	trans	-60.7	-37.7	168.9	-72.9	171.1	162.7	166.4	0.2	113.4	E132 L161 E162 F163 L167 W168 R169	E132-R165 IonicContact OE2-CZ 2.8Å; E132-R165 IonicContact OE2-NE 3.21Å; E132-R165 PolarHBondContact OE2-NE 3.3Å; E132-R165 IonicContact OE2-NH2 3.91Å; E132-R165 PolarHBondContact OE2-NH2 2.65Å; L161-R165 HydrophobicContact CD1-CG 4.46Å; L161-R165 HydrophobicContact CG-CG 4.46Å; L161-R165 PolarHBondContact O-N 2.66Å; E162-R165 WeakPolarHBondContact OE2-CD 3.46Å; E162-R165 IonicContact OE2-CZ 3.46Å; E162-R165 IonicContact OE2-NE 2.7Å; E162-R165 IonicContact OE2-NH1 2.63Å; E162-R165 PolarHBondContact OE2-NH1 3.24Å; F163-R165 VanDerWaalsContact C-N 3.33Å; R165-L167 VanDerWaalsContact C-N 3.34Å; R165-W168 HydrophobicContact CB-CE3 4.3Å; R165-W168 HydrophobicContact CG-CE3 3.77Å; R165-W168 HydrophobicContact CG-CZ3 3.73Å; R165-W168 PolarHBondContact O-N 3.09Å; R165-R169 VanDerWaalsContact O-CG 3.23Å; R165-R169 WeakPolarHBondContact O-CG 3.28Å; R165-R169 PolarHBondContact O-N 3.42Å
166	Q	89.3	Confident	89.3	Confident	13 Å²	13	14.6 Å²	14.6	6%	0.061	6%	0.064	C	C	.	.	H	α-helix	trans	-63.6	-41.5	172.1	-55.4	-49.5	-19	0	0	111.3	E162 F163 W164 R169 V170 F402 P417	E162-Q166 WeakPolarHBondContact O-CG 3.47Å; E162-Q166 PolarHBondContact O-N 3.46Å; E162-Q166 VanDerWaalsContact O-N 3.14Å; E162-Q166 PolarHBondContact OE1-NE2 3.23Å; F163-Q166 WeakPolarHBondContact O-CB 3.43Å; F163-Q166 PolarHBondContact O-N 3.47Å; F163-Q166 VanDerWaalsContact O-N 3.12Å; W164-Q166 VanDerWaalsContact C-N 3.33Å; W164-Q166 PolarHBondContact O-N 2.94Å; Q166-R169 PolarHBondContact O-N 3.39Å; Q166-V170 VanDerWaalsContact O-CG2 3.27Å; Q166-V170 WeakPolarHBondContact O-CG2 3.42Å; Q166-V170 PolarHBondContact O-N 3.28Å; Q166-F402 VanDerWaalsContact OE1-CB 3.29Å; Q166-P417 HydrophobicContact CB-CG 3.72Å; Q166-P417 HydrophobicContact CG-CG 3.91Å
167	L	91.9	Very high	89.9	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.9	-47.1	175.8	179.2	67	0	0	0	111.8	I113 F163 W164 R165 R169 V170 I171 L194 V370 L419 M421	I113-L167 HydrophobicContact CD1-CD2 4.11Å; F163-L167 PolarHBondContact O-N 3.38Å; F163-L167 VanDerWaalsContact O-N 3.08Å; W164-L167 HydrophobicContact CE3-CD2 3.85Å; W164-L167 HydrophobicContact CZ3-CD2 3.8Å; W164-L167 WeakPolarHBondContact O-CB 3.5Å; W164-L167 PolarHBondContact O-N 3.03Å; W164-L167 VanDerWaalsContact O-N 3.11Å; R165-L167 VanDerWaalsContact C-N 3.34Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 3.07Å; L167-V170 WeakPolarHBondContact O-CB 3.43Å; L167-V170 PolarHBondContact O-N 3.45Å; L167-V170 VanDerWaalsContact O-N 3.09Å; L167-I171 HydrophobicContact CD1-CD1 4.09Å; L167-I171 HydrophobicContact CD1-CG1 4.37Å; L167-I171 HydrophobicContact CD2-CD1 4.41Å; L167-I171 HydrophobicContact CG-CD1 3.86Å; L167-I171 WeakPolarHBondContact O-CG1 3.44Å; L167-I171 PolarHBondContact O-N 2.91Å; L167-L194 HydrophobicContact CD1-CD1 4.24Å; L167-L194 HydrophobicContact CD2-CD1 4.23Å; L167-V370 HydrophobicContact CD1-CB 4.39Å; L167-V370 HydrophobicContact CD1-CG1 3.66Å; L167-V370 HydrophobicContact CD1-CG2 3.72Å; L167-L419 HydrophobicContact CB-CD2 4.36Å; L167-L419 HydrophobicContact CD2-CD2 3.76Å; L167-M421 HydrophobicContact CD2-CE 4.12Å
168	W	92.6	Very high	90.2	Very high	1 Å²	1	13.9 Å²	13.9	0%	0.004	6%	0.06	C	C	.	.	H	α-helix	trans	-57.2	-46.5	177.2	-60.5	-27.2	0	0	0	111.7	P114 R116 E132 L161 W164 R165 V170 I171 E172 Y197	P114-W168 HydrophobicContact CB-CZ2 4.29Å; P114-W168 PolarHBondContact O-NE1 3.03Å; R116-W168 HydrophobicContact CB-CB 4.38Å; R116-W168 HydrophobicContact CB-CD2 3.7Å; R116-W168 HydrophobicContact CB-CE3 4.08Å; R116-W168 HydrophobicContact CB-CG 3.84Å; R116-W168 HydrophobicContact CB-CZ2 4.47Å; R116-W168 HydrophobicContact CG-CD2 3.84Å; R116-W168 HydrophobicContact CG-CE3 3.68Å; R116-W168 HydrophobicContact CG-CG 4.26Å; R116-W168 HydrophobicContact CG-CZ3 4.13Å; E132-W168 HydrophobicContact CB-CH2 4.28Å; E132-W168 HydrophobicContact CB-CZ3 4.01Å; E132-W168 HydrophobicContact CG-CH2 4.25Å; E132-W168 HydrophobicContact CG-CZ3 3.66Å; L161-W168 HydrophobicContact CD1-CH2 3.75Å; L161-W168 HydrophobicContact CD1-CZ3 4.06Å; W164-W168 HydrophobicContact CB-CZ2 4.42Å; W164-W168 VanDerWaalsContact O-CG 3.26Å; W164-W168 PolarHBondContact O-N 3.33Å; R165-W168 HydrophobicContact CB-CE3 4.3Å; R165-W168 HydrophobicContact CG-CE3 3.77Å; R165-W168 HydrophobicContact CG-CZ3 3.73Å; R165-W168 PolarHBondContact O-N 3.09Å; W168-V170 VanDerWaalsContact C-N 3.29Å; W168-V170 PolarHBondContact O-N 2.88Å; W168-I171 PolarHBondContact O-N 3.49Å; W168-E172 WeakPolarHBondContact O-CB 3.48Å; W168-E172 WeakPolarHBondContact O-CG 3.37Å; W168-E172 PolarHBondContact O-N 2.7Å; W168-Y197 AromaticContact CD1-CE1 3.87Å
169	R	88.6	Confident	90.6	Very high	22 Å²	22	14.2 Å²	14.2	8%	0.083	6%	0.062	C	C	.	.	H	α-helix	trans	-60.2	-35	175.2	-68.3	168	-171	128.4	-2.6	112.9	S37 E162 R165 Q166 L167 R173	S37-R169 PolarHBondContact OG-NH2 2.74Å; E162-R169 IonicContact OE1-CZ 2.74Å; E162-R169 IonicContact OE1-NH1 3.77Å; E162-R169 PolarHBondContact OE1-NH1 2.94Å; E162-R169 IonicContact OE1-NH2 2.67Å; E162-R169 PolarHBondContact OE1-NH2 3.42Å; E162-R169 VanDerWaalsContact OE1-NH2 3.1Å; R165-R169 VanDerWaalsContact O-CG 3.23Å; R165-R169 WeakPolarHBondContact O-CG 3.28Å; R165-R169 PolarHBondContact O-N 3.42Å; Q166-R169 PolarHBondContact O-N 3.39Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 3.07Å; R169-R173 VanDerWaalsContact O-CB 3.3Å; R169-R173 WeakPolarHBondContact O-CB 3.32Å; R169-R173 WeakPolarHBondContact O-CD 3.26Å; R169-R173 WeakPolarHBondContact O-CG 3.33Å; R169-R173 PolarHBondContact O-N 2.79Å
170	V	91.1	Very high	91.1	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-65.1	-52.7	174.8	174.5	0	0	0	0	109.9	Q166 L167 W168 E172 R173 S174 V370 F402 C416	Q166-V170 VanDerWaalsContact O-CG2 3.27Å; Q166-V170 WeakPolarHBondContact O-CG2 3.42Å; Q166-V170 PolarHBondContact O-N 3.28Å; L167-V170 WeakPolarHBondContact O-CB 3.43Å; L167-V170 PolarHBondContact O-N 3.45Å; L167-V170 VanDerWaalsContact O-N 3.09Å; W168-V170 VanDerWaalsContact C-N 3.29Å; W168-V170 PolarHBondContact O-N 2.88Å; V170-E172 PolarHBondContact O-N 3.19Å; V170-R173 PolarHBondContact O-N 2.86Å; V170-S174 WeakPolarHBondContact O-CB 3.25Å; V170-S174 PolarHBondContact O-N 3.48Å; V170-S174 PolarHBondContact O-OG 3.1Å; V170-V370 HydrophobicContact CG1-CG2 3.97Å; V170-F402 HydrophobicContact CB-CE2 4.43Å; V170-F402 HydrophobicContact CG2-CD2 3.49Å; V170-F402 VanDerWaalsContact CG2-CD2 3.49Å; V170-F402 HydrophobicContact CG2-CE2 3.61Å; V170-C416 HydrophobicContact CG2-CB 3.88Å
171	I	92.4	Very high	91.5	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-61.2	-45.2	-176.4	-65.2	166.7	0	0	0	111.4	L167 W168 R173 L194 Y197 V198 V201 K205	L167-I171 HydrophobicContact CD1-CD1 4.09Å; L167-I171 HydrophobicContact CD1-CG1 4.37Å; L167-I171 HydrophobicContact CD2-CD1 4.41Å; L167-I171 HydrophobicContact CG-CD1 3.86Å; L167-I171 WeakPolarHBondContact O-CG1 3.44Å; L167-I171 PolarHBondContact O-N 2.91Å; W168-I171 PolarHBondContact O-N 3.49Å; I171-R173 PolarHBondContact O-N 3.2Å; I171-L194 HydrophobicContact CD1-CD1 3.74Å; I171-Y197 HydrophobicContact CD1-CD1 3.56Å; I171-Y197 HydrophobicContact CD1-CE1 3.56Å; I171-V198 HydrophobicContact CG1-CG2 4.32Å; I171-V198 HydrophobicContact CG2-CG2 4.1Å; I171-V201 HydrophobicContact CG2-CB 4.32Å; I171-V201 HydrophobicContact CG2-CG1 4.39Å; I171-V201 HydrophobicContact CG2-CG2 4.12Å; I171-K205 WeakPolarHBondContact O-CE 3.33Å; I171-K205 PolarHBondContact O-NZ 3.3Å
172	E	89.4	Confident	91.9	Very high	42 Å²	42	9.8 Å²	9.8	20%	0.196	4%	0.041	C	C	.	.	H	α-helix	trans	-59.7	-45.8	178.2	-73.4	169.6	179.6	0	0	111.5	R116 W168 V170 K205	R116-E172 WeakPolarHBondContact CD-OE1 3.18Å; R116-E172 IonicContact CZ-OE1 2.72Å; R116-E172 IonicContact NE-OE1 3.58Å; R116-E172 IonicContact NH1-OE1 3.87Å; R116-E172 PolarHBondContact NH1-OE1 2.87Å; R116-E172 IonicContact NH1-OE2 3.6Å; R116-E172 PolarHBondContact NH1-OE2 2.96Å; W168-E172 WeakPolarHBondContact O-CB 3.48Å; W168-E172 WeakPolarHBondContact O-CG 3.37Å; W168-E172 PolarHBondContact O-N 2.7Å; V170-E172 PolarHBondContact O-N 3.19Å; E172-K205 PolarHBondContact O-NZ 2.81Å
173	R	87.5	Confident	92.3	Very high	52 Å²	52	8.8 Å²	8.8	20%	0.196	4%	0.036	C	C	.	.	H	α-helix	trans	-82.4	-19	-172.9	-65.9	177.5	73.5	143.5	20.1	115.4	W33 E38 R169 V170 I171 T366	W33-R173 HydrophobicContact CH2-CG 4.44Å; W33-R173 HydrophobicContact CZ3-CG 3.8Å; E38-R173 IonicContact OE1-CZ 2.77Å; E38-R173 IonicContact OE1-NH1 3.65Å; E38-R173 PolarHBondContact OE1-NH1 3.44Å; E38-R173 IonicContact OE1-NH2 2.71Å; E38-R173 PolarHBondContact OE1-NH2 3.5Å; R169-R173 VanDerWaalsContact O-CB 3.3Å; R169-R173 WeakPolarHBondContact O-CB 3.32Å; R169-R173 WeakPolarHBondContact O-CD 3.26Å; R169-R173 WeakPolarHBondContact O-CG 3.33Å; R169-R173 PolarHBondContact O-N 2.79Å; V170-R173 PolarHBondContact O-N 2.86Å; I171-R173 PolarHBondContact O-N 3.2Å; R173-T366 WeakPolarHBondContact O-CB 3.46Å; R173-T366 WeakPolarHBondContact O-CG2 3.3Å
174	S	92.4	Very high	92.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.039	C	C	.	.			trans	-95.2	140	-176.1	59.8	0	0	0	0	113.5	V170 V177 K205 T366 G368	V170-S174 WeakPolarHBondContact O-CB 3.25Å; V170-S174 PolarHBondContact O-N 3.48Å; V170-S174 PolarHBondContact O-OG 3.1Å; S174-V177 VanDerWaalsContact OG-CG2 3.24Å; S174-V177 WeakPolarHBondContact OG-CG2 3.36Å; S174-K205 PolarHBondContact O-NZ 3.34Å; S174-T366 CarbonylContact C-O 3.56Å; S174-T366 WeakPolarHBondContact CA-O 3.3Å; S174-G368 VanDerWaalsContact CB-N 3.28Å
175	D	93.1	Very high	92.6	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.005	4%	0.044	C	C	.	.	S	Bend	trans	-76.5	-39.6	168.3	-54.1	-57.8	0	0	0	111.1	K205 V206 R359 C360 L365 T366	D175-K205 VanDerWaalsContact O-CA 3.3Å; D175-K205 WeakPolarHBondContact O-CA 3.47Å; D175-V206 PolarHBondContact O-N 2.94Å; D175-R359 VanDerWaalsContact OD1-CA 3.27Å; D175-R359 WeakPolarHBondContact OD1-CA 3.43Å; D175-C360 PolarHBondContact OD1-N 2.96Å; D175-C360 PolarHBondContact OD1-SG 2.75Å; D175-L365 HydrophobicContact CB-CD1 3.8Å; D175-T366 PolarHBondContact N-O 3.08Å; D175-T366 PolarHBondContact OD2-N 3.02Å
176	I	94.1	Very high	92.8	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	125.2	179.3	-50.2	178.1	0	0	0	108.5	V178 V206 F351 H355 L365 T366 I367 G368	I176-V178 HydrophobicContact CG2-CG2 3.9Å; I176-V206 CarbonylContact C-O 3.57Å; I176-V206 WeakPolarHBondContact CA-O 3.43Å; I176-V206 HydrophobicContact CG1-CB 4.31Å; I176-V206 HydrophobicContact CG2-CB 4.35Å; I176-V206 HydrophobicContact CG2-CG1 4.48Å; I176-F351 WeakPolarHBondContact CD1-O 3.4Å; I176-H355 HydrophobicContact CD1-CB 3.81Å; I176-H355 HydrophobicContact CG1-CB 3.85Å; I176-L365 HydrophobicContact CD1-CD1 4.17Å; I176-L365 HydrophobicContact CD1-CD2 4.31Å; I176-L365 HydrophobicContact CG1-CD1 4.32Å; I176-T366 PolarHBondContact N-O 3Å; I176-I367 HydrophobicContact CB-CG1 4.4Å; I176-I367 HydrophobicContact CB-CG2 4.33Å; I176-I367 HydrophobicContact CD1-CG1 4.48Å; I176-I367 CarbonylContact O-C 3.46Å; I176-I367 WeakPolarHBondContact O-CA 3.45Å; I176-G368 PolarHBondContact O-N 3.15Å
177	V	95.4	Very high	92.9	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.012	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	113.4	170.6	179.1	0	0	0	0	108.6	S174 L194 V198 V206 M208 V370	S174-V177 VanDerWaalsContact OG-CG2 3.24Å; S174-V177 WeakPolarHBondContact OG-CG2 3.36Å; V177-L194 HydrophobicContact CG1-CD2 4.38Å; V177-V198 HydrophobicContact CB-CG1 4.31Å; V177-V198 HydrophobicContact CB-CG2 3.95Å; V177-V198 HydrophobicContact CG1-CG2 4.05Å; V177-V198 HydrophobicContact CG2-CG1 3.93Å; V177-V198 HydrophobicContact CG2-CG2 3.74Å; V177-V206 PolarHBondContact N-O 3.23Å; V177-M208 PolarHBondContact O-N 2.9Å; V177-V370 HydrophobicContact CG1-CG2 4.17Å
178	V	95.9	Very high	92.9	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	114	178.3	-178	0	0	0	0	109	I176 I180 M208 L210 F351 I367 G368 L369 V370	I176-V178 HydrophobicContact CG2-CG2 3.9Å; V178-I180 HydrophobicContact CG1-CG1 4.43Å; V178-M208 CarbonylContact C-O 3.51Å; V178-M208 WeakPolarHBondContact CA-O 3.05Å; V178-M208 HydrophobicContact CG1-CE 3.89Å; V178-M208 HydrophobicContact CG2-CB 4.46Å; V178-M208 HydrophobicContact CG2-CE 4.02Å; V178-L210 HydrophobicContact CG1-CB 3.55Å; V178-L210 HydrophobicContact CG1-CD2 4.37Å; V178-F351 HydrophobicContact CG2-CE1 4.35Å; V178-I367 HydrophobicContact CB-CG2 4.44Å; V178-I367 HydrophobicContact CG2-CG2 3.57Å; V178-G368 PolarHBondContact N-O 3.23Å; V178-L369 HydrophobicContact CB-CD2 3.84Å; V178-L369 HydrophobicContact CG1-CD2 4.28Å; V178-L369 HydrophobicContact CG2-CD2 4.38Å; V178-V370 PolarHBondContact O-N 3.34Å
179	Q	95.8	Very high	92.9	Very high	8 Å²	8	11.6 Å²	11.6	4%	0.037	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	117.2	174.4	-168.5	176	89.3	0	0	109.3	V181 C191 M208 L209 L210 V370	Q179-V181 HydrophobicContact CG-CG1 4.43Å; Q179-C191 PolarHBondContact NE2-O 2.93Å; Q179-M208 PolarHBondContact N-O 3.48Å; Q179-L209 HydrophobicContact CB-CD1 4.25Å; Q179-L209 HydrophobicContact CG-CD1 4.49Å; Q179-L210 PolarHBondContact O-N 3.05Å; Q179-V370 CarbonylContact C-O 3.55Å; Q179-V370 WeakPolarHBondContact CA-O 3.1Å
180	I	95.9	Very high	93.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	122.7	-179.2	-51.7	-175.6	0	0	0	109.6	V178 L210 N212 L369 V370 V375 K377	V178-I180 HydrophobicContact CG1-CG1 4.43Å; I180-L210 WeakPolarHBondContact CA-O 3.41Å; I180-L210 HydrophobicContact CD1-CD2 4.23Å; I180-L210 HydrophobicContact CG1-CB 4.26Å; I180-L210 HydrophobicContact CG1-CD2 4.19Å; I180-N212 HydrophobicContact CG2-CB 3.82Å; I180-L369 HydrophobicContact CD1-CB 4.32Å; I180-L369 HydrophobicContact CD1-CD1 4.5Å; I180-L369 HydrophobicContact CD1-CD2 4.41Å; I180-V370 PolarHBondContact N-O 3.04Å; I180-V375 HydrophobicContact CB-CG2 4.16Å; I180-V375 HydrophobicContact CG2-CG2 3.89Å; I180-V375 WeakPolarHBondContact O-CG2 3.2Å; I180-K377 HydrophobicContact CD1-CB 3.87Å; I180-K377 HydrophobicContact CD1-CG 3.87Å
181	V	95.7	Very high	93.2	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	154.8	-178.2	-62.1	0	0	0	0	111.7	Q179 P186 F189 R190 L209 L210 V211 N212	Q179-V181 HydrophobicContact CG-CG1 4.43Å; V181-P186 HydrophobicContact CG2-CB 4.2Å; V181-F189 HydrophobicContact CB-CB 3.86Å; V181-F189 HydrophobicContact CG1-CB 3.82Å; V181-R190 HydrophobicContact CG1-CB 4.45Å; V181-L209 HydrophobicContact CB-CD1 4.45Å; V181-L209 HydrophobicContact CG1-CD1 3.66Å; V181-L209 HydrophobicContact CG2-CD1 3.89Å; V181-L209 HydrophobicContact CG2-CD2 4.35Å; V181-L209 HydrophobicContact CG2-CG 4.03Å; V181-L210 PolarHBondContact N-O 2.84Å; V181-V211 HydrophobicContact CG2-CB 4.32Å; V181-V211 HydrophobicContact CG2-CG1 4.47Å; V181-V211 HydrophobicContact CG2-CG2 3.96Å; V181-N212 PolarHBondContact O-N 3.18Å
182	D	94.8	Very high	93.2	Very high	3 Å²	3	15.3 Å²	15.3	2%	0.016	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122	173.6	-169.3	-54.9	0	0	0	109.5	R184 N185 F189 K213 V375	D182-R184 PolarHBondContact O-N 3.26Å; D182-R184 WeakPolarHBondContact OD1-CB 3.37Å; D182-R184 IonicContact OD1-CZ 3.6Å; D182-R184 PolarHBondContact OD1-N 3.22Å; D182-R184 VanDerWaalsContact OD1-N 3.17Å; D182-R184 IonicContact OD1-NE 3.74Å; D182-R184 PolarHBondContact OD1-NE 3.17Å; D182-R184 IonicContact OD1-NH2 3.78Å; D182-R184 IonicContact OD2-CZ 2.75Å; D182-R184 IonicContact OD2-NE 3.95Å; D182-R184 IonicContact OD2-NH2 3.74Å; D182-R184 PolarHBondContact OD2-NH2 3.3Å; D182-N185 CarbonylContact O-C 3.52Å; D182-N185 PolarHBondContact O-N 3.37Å; D182-N185 VanDerWaalsContact O-N 3.13Å; D182-F189 HydrophobicContact CB-CD2 3.62Å; D182-F189 HydrophobicContact CB-CE2 3.57Å; D182-F189 HydrophobicContact CB-CG 4.44Å; D182-F189 HydrophobicContact CB-CZ 4.33Å; D182-K213 WeakPolarHBondContact OD2-CD 3.39Å; D182-K213 WeakPolarHBondContact OD2-CE 3.49Å; D182-K213 IonicContact OD2-NZ 3.99Å; D182-K213 PolarHBondContact OD2-NZ 3.11Å; D182-V375 HydrophobicContact CB-CG1 4.5Å
183	A	94.7	Very high	93.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-21.3	-173.7	0	0	0	0	0	114.6	P186 V211 N212 L217	A183-P186 WeakPolarHBondContact O-CD 3.26Å; A183-V211 HydrophobicContact CB-CG1 3.57Å; A183-N212 VanDerWaalsContact CB-O 3.3Å; A183-N212 WeakPolarHBondContact CB-O 3.44Å; A183-N212 PolarHBondContact N-O 3.12Å; A183-L217 HydrophobicContact CB-CD1 3.44Å; A183-L217 VanDerWaalsContact CB-CD1 3.44Å; A183-L217 HydrophobicContact CB-CD2 4.36Å
184	R	92.5	Very high	93.6	Very high	19 Å²	19	11.7 Å²	11.7	7%	0.072	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-26.4	179.1	-65.2	173.2	-67.4	177.5	-2.6	113.7	D182 L216 Y517 V518 L523 H526	D182-R184 PolarHBondContact O-N 3.26Å; D182-R184 WeakPolarHBondContact OD1-CB 3.37Å; D182-R184 IonicContact OD1-CZ 3.6Å; D182-R184 PolarHBondContact OD1-N 3.22Å; D182-R184 VanDerWaalsContact OD1-N 3.17Å; D182-R184 IonicContact OD1-NE 3.74Å; D182-R184 PolarHBondContact OD1-NE 3.17Å; D182-R184 IonicContact OD1-NH2 3.78Å; D182-R184 IonicContact OD2-CZ 2.75Å; D182-R184 IonicContact OD2-NE 3.95Å; D182-R184 IonicContact OD2-NH2 3.74Å; D182-R184 PolarHBondContact OD2-NH2 3.3Å; R184-L216 HydrophobicContact CG-CD1 4.11Å; R184-Y517 PolarHBondContact NH1-O 3.31Å; R184-V518 PolarHBondContact NH1-O 3.21Å; R184-V518 PolarHBondContact NH2-O 3.31Å; R184-V518 VanDerWaalsContact NH2-O 3.09Å; R184-L523 HydrophobicContact CG-CD1 4.18Å; R184-H526 PolarHBondContact O-CD2 3.43Å; R184-H526 PolarHBondContact O-N 3.28Å
185	N	92.5	Very high	93.6	Very high	19 Å²	19	13.4 Å²	13.4	10%	0.102	7%	0.07	C	C	.	.	S	Bend	trans	-150.1	72.6	174.3	-169.6	-14.1	0	0	0	110	D182 L187 L188 F189 H526	D182-N185 CarbonylContact O-C 3.52Å; D182-N185 PolarHBondContact O-N 3.37Å; D182-N185 VanDerWaalsContact O-N 3.13Å; N185-L187 PolarHBondContact O-N 3.21Å; N185-L188 HydrophobicContact CB-CB 4.32Å; N185-L188 PolarHBondContact O-N 3.36Å; N185-L188 PolarHBondContact OD1-N 3.23Å; N185-F189 VanDerWaalsContact O-CD2 3.3Å; N185-F189 WeakPolarHBondContact O-CD2 3.2Å; N185-H526 HydrophobicContact CB-CB 4.34Å
186	P	93.5	Very high	93.6	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.006	10%	0.096	C	C	.	.	H	α-helix	trans	-59.4	-35.7	-173.5	-24.6	35.5	0	0	0	112.7	V181 A183 L188 F189 R190 V211 W225 F229	V181-P186 HydrophobicContact CG2-CB 4.2Å; A183-P186 WeakPolarHBondContact O-CD 3.26Å; P186-L188 PolarHBondContact O-N 2.85Å; P186-F189 PolarHBondContact O-N 3.19Å; P186-R190 VanDerWaalsContact O-CB 3.28Å; P186-R190 WeakPolarHBondContact O-CB 3.42Å; P186-R190 PolarHBondContact O-N 3.47Å; P186-V211 HydrophobicContact CG-CG1 4.49Å; P186-W225 HydrophobicContact CG-CD2 4.18Å; P186-W225 HydrophobicContact CG-CE3 4.33Å; P186-W225 HydrophobicContact CG-CH2 4.32Å; P186-W225 HydrophobicContact CG-CZ2 4.12Å; P186-W225 HydrophobicContact CG-CZ3 4.41Å; P186-F229 HydrophobicContact CB-CZ 3.74Å; P186-F229 HydrophobicContact CG-CZ 4.29Å
187	L	91.1	Very high	93.7	Very high	52 Å²	52	18.9 Å²	18.9	27%	0.272	10%	0.098	S	C	.	.	H	α-helix	trans	-66.7	-33.8	-177.6	-64.2	177	0	0	0	113.5	N185 W225 Y228 L529	N185-L187 PolarHBondContact O-N 3.21Å; L187-W225 HydrophobicContact CD1-CH2 3.88Å; L187-W225 HydrophobicContact CD1-CZ3 4.32Å; L187-W225 HydrophobicContact CD2-CZ3 4.31Å; L187-W225 HydrophobicContact CG-CH2 3.78Å; L187-W225 HydrophobicContact CG-CZ3 4.02Å; L187-Y228 HydrophobicContact CD2-CE1 3.88Å; L187-L529 HydrophobicContact CD1-CG 4.48Å
188	L	91.4	Very high	93.6	Very high	14 Å²	14	18.8 Å²	18.8	7%	0.073	10%	0.098	C	C	.	.	H	α-helix	trans	-70.7	-33.7	177.2	178.5	64	0	0	0	112.4	N185 P186 V425 S434 I436	N185-L188 HydrophobicContact CB-CB 4.32Å; N185-L188 PolarHBondContact O-N 3.36Å; N185-L188 PolarHBondContact OD1-N 3.23Å; P186-L188 PolarHBondContact O-N 2.85Å; L188-V425 HydrophobicContact CD1-CG2 4.36Å; L188-S434 WeakPolarHBondContact CD2-OG 3.32Å; L188-I436 HydrophobicContact CD2-CD1 4.46Å
189	F	93	Very high	93.4	Very high	7 Å²	7	23.2 Å²	23.2	3%	0.031	12%	0.117	C	C	.	.	H	α-helix	trans	-92.8	-13.8	-178.5	-65.7	-69.9	0	0	0	113.4	V181 D182 N185 P186 Y372 V375 I436	V181-F189 HydrophobicContact CB-CB 3.86Å; V181-F189 HydrophobicContact CG1-CB 3.82Å; D182-F189 HydrophobicContact CB-CD2 3.62Å; D182-F189 HydrophobicContact CB-CE2 3.57Å; D182-F189 HydrophobicContact CB-CG 4.44Å; D182-F189 HydrophobicContact CB-CZ 4.33Å; N185-F189 VanDerWaalsContact O-CD2 3.3Å; N185-F189 WeakPolarHBondContact O-CD2 3.2Å; P186-F189 PolarHBondContact O-N 3.19Å; F189-Y372 HydrophobicContact CB-CD2 4.44Å; F189-Y372 AromaticContact CD1-CD1 3.86Å; F189-Y372 HydrophobicContact CD1-CD1 3.86Å; F189-Y372 AromaticContact CD1-CD2 4Å; F189-Y372 HydrophobicContact CD1-CD2 4Å; F189-Y372 HydrophobicContact CD1-CE1 4.45Å; F189-Y372 AromaticContact CD1-CG 3.61Å; F189-Y372 HydrophobicContact CD1-CG 3.61Å; F189-Y372 HydrophobicContact CE1-CD1 4.14Å; F189-Y372 HydrophobicContact CE1-CG 4.21Å; F189-Y372 WeakPolarHBondContact O-CE2 3.27Å; F189-V375 HydrophobicContact CD1-CG1 3.92Å; F189-V375 HydrophobicContact CE1-CG1 4.2Å; F189-V375 HydrophobicContact CG-CG1 4.26Å; F189-I436 HydrophobicContact CE1-CD1 4.19Å; F189-I436 HydrophobicContact CE1-CG1 3.95Å; F189-I436 HydrophobicContact CZ-CG1 4.44Å
190	R	92.8	Very high	93.3	Very high	28 Å²	28	28.4 Å²	28.4	11%	0.106	14%	0.141	C	C	.	.			trans	-75.2	137.1	173.9	-175.3	179.8	174.8	-153	-5.7	110.4	V181 P186 E195 L209 E232	V181-R190 HydrophobicContact CG1-CB 4.45Å; P186-R190 VanDerWaalsContact O-CB 3.28Å; P186-R190 WeakPolarHBondContact O-CB 3.42Å; P186-R190 PolarHBondContact O-N 3.47Å; R190-E195 IonicContact CZ-OE1 2.67Å; R190-E195 IonicContact CZ-OE2 2.7Å; R190-E195 IonicContact NE-OE1 2.58Å; R190-E195 PolarHBondContact NE-OE1 3.44Å; R190-E195 IonicContact NE-OE2 3.48Å; R190-E195 IonicContact NH2-OE1 3.22Å; R190-E195 PolarHBondContact NH2-OE1 3.43Å; R190-E195 IonicContact NH2-OE2 2.69Å; R190-E195 PolarHBondContact NH2-OE2 3.1Å; R190-L209 HydrophobicContact CG-CD1 4.38Å; R190-E232 IonicContact NH1-OE2 3.27Å
191	C	92.4	Very high	93	Very high	9 Å²	9	31.2 Å²	31.2	6%	0.061	16%	0.158	C	C	.	.			trans	-121.4	99.2	171.3	-177.1	0	0	0	0	109.6	Q179 D193 L194 M421	Q179-C191 PolarHBondContact NE2-O 2.93Å; C191-D193 VanDerWaalsContact C-N 3.27Å; C191-D193 PolarHBondContact O-N 3.47Å; C191-L194 HydrophobicContact CB-CB 4.22Å; C191-L194 WeakPolarHBondContact O-CB 3.33Å; C191-L194 PolarHBondContact O-N 3.1Å; C191-M421 HydrophobicContact CB-SD 3.44Å; C191-M421 WeakPolarHBondContact CB-SD 3.34Å
192	P	92.2	Very high	92.7	Very high	64 Å²	64	33 Å²	33	42%	0.416	17%	0.171	S	C	.	.	H	α-helix	trans	-62.9	-31.2	178.4	-24.4	35.2	0	0	0	113.3	L194 E195 L196	P192-L194 VanDerWaalsContact C-N 3.28Å; P192-L194 PolarHBondContact O-N 2.96Å; P192-E195 WeakPolarHBondContact O-CB 3.35Å; P192-E195 PolarHBondContact O-N 2.88Å; P192-L196 PolarHBondContact O-N 3.34Å; P192-L196 VanDerWaalsContact O-N 3.1Å
193	D	93.2	Very high	92.5	Very high	17 Å²	17	40.9 Å²	40.9	9%	0.091	21%	0.207	C	C	.	.	H	α-helix	trans	-69.6	-24.1	178.3	-175.7	65.4	0	0	0	113.1	R112 I113 R115 C191 Y197	R112-D193 WeakPolarHBondContact CA-OD2 3.08Å; I113-D193 WeakPolarHBondContact CG1-OD2 3.47Å; I113-D193 PolarHBondContact N-OD2 3.33Å; R115-D193 IonicContact CZ-OD1 3.63Å; R115-D193 IonicContact CZ-OD2 3.92Å; R115-D193 IonicContact NH1-OD1 2.89Å; R115-D193 PolarHBondContact NH1-OD1 3.28Å; R115-D193 IonicContact NH1-OD2 2.69Å; R115-D193 PolarHBondContact NH1-OD2 3.16Å; R115-D193 IonicContact NH2-OD1 3.1Å; R115-D193 PolarHBondContact NH2-OD1 3.03Å; R115-D193 IonicContact NH2-OD2 3.75Å; C191-D193 VanDerWaalsContact C-N 3.27Å; C191-D193 PolarHBondContact O-N 3.47Å; D193-Y197 WeakPolarHBondContact O-CB 3.48Å; D193-Y197 PolarHBondContact O-N 2.96Å
194	L	93.1	Very high	92.2	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-65	-42.2	167	-177.3	72.6	0	0	0	110.8	I113 L167 I171 V177 C191 P192 L196 Y197 V198 V370 M421	I113-L194 HydrophobicContact CD1-CB 4.18Å; I113-L194 HydrophobicContact CD1-CD1 3.56Å; I113-L194 HydrophobicContact CD1-CG 4.5Å; L167-L194 HydrophobicContact CD1-CD1 4.24Å; L167-L194 HydrophobicContact CD2-CD1 4.23Å; I171-L194 HydrophobicContact CD1-CD1 3.74Å; V177-L194 HydrophobicContact CG1-CD2 4.38Å; C191-L194 HydrophobicContact CB-CB 4.22Å; C191-L194 WeakPolarHBondContact O-CB 3.33Å; C191-L194 PolarHBondContact O-N 3.1Å; P192-L194 VanDerWaalsContact C-N 3.28Å; P192-L194 PolarHBondContact O-N 2.96Å; L194-L196 VanDerWaalsContact C-N 3.31Å; L194-L196 PolarHBondContact O-N 3.22Å; L194-Y197 PolarHBondContact O-N 2.81Å; L194-V198 HydrophobicContact CG-CG2 4.5Å; L194-V198 WeakPolarHBondContact O-CG2 3.49Å; L194-V198 PolarHBondContact O-N 3.19Å; L194-V370 HydrophobicContact CD2-CB 4.23Å; L194-V370 HydrophobicContact CD2-CG1 3.85Å; L194-M421 HydrophobicContact CD1-CE 4.35Å; L194-M421 HydrophobicContact CD2-CE 4.16Å
195	E	93.3	Very high	92.2	Very high	36 Å²	36	44.8 Å²	44.8	17%	0.168	23%	0.229	C	C	.	.	H	α-helix	trans	-62.5	-41.9	-179.8	-58.9	164.8	-152	0	0	110.3	R190 P192 K199 N207	R190-E195 IonicContact CZ-OE1 2.67Å; R190-E195 IonicContact CZ-OE2 2.7Å; R190-E195 IonicContact NE-OE1 2.58Å; R190-E195 PolarHBondContact NE-OE1 3.44Å; R190-E195 IonicContact NE-OE2 3.48Å; R190-E195 IonicContact NH2-OE1 3.22Å; R190-E195 PolarHBondContact NH2-OE1 3.43Å; R190-E195 IonicContact NH2-OE2 2.69Å; R190-E195 PolarHBondContact NH2-OE2 3.1Å; P192-E195 WeakPolarHBondContact O-CB 3.35Å; P192-E195 PolarHBondContact O-N 2.88Å; E195-K199 PolarHBondContact O-N 2.85Å; E195-N207 WeakPolarHBondContact CA-ND2 3.45Å; E195-N207 PolarHBondContact O-ND2 3.13Å
196	L	93.3	Very high	92.2	Very high	105 Å²	105	44.6 Å²	44.6	55%	0.55	23%	0.229	S	C	.	.	H	α-helix	trans	-61.1	-49.4	171.4	-63.6	177.5	0	0	0	111.6	P192 L194 V198 K199 E200	P192-L196 PolarHBondContact O-N 3.34Å; P192-L196 VanDerWaalsContact O-N 3.1Å; L194-L196 VanDerWaalsContact C-N 3.31Å; L194-L196 PolarHBondContact O-N 3.22Å; L196-V198 VanDerWaalsContact C-N 3.33Å; L196-V198 PolarHBondContact O-N 2.8Å; L196-K199 WeakPolarHBondContact O-CB 3.33Å; L196-K199 PolarHBondContact O-N 3.19Å; L196-E200 WeakPolarHBondContact O-CG 3.18Å; L196-E200 PolarHBondContact O-N 3.01Å
197	Y	94.3	Very high	92.2	Very high	11 Å²	11	46.1 Å²	46.1	4%	0.043	24%	0.237	C	C	.	.	H	α-helix	trans	-59.4	-40.5	-178.9	-177.6	-148.8	0	0	0	113.1	I113 R115 R116 W168 I171 D193 L194 K199 E200 V201	I113-Y197 HydrophobicContact CD1-CD1 3.85Å; I113-Y197 HydrophobicContact CG1-CD1 4.39Å; R115-Y197 HydrophobicContact CB-CE2 4.39Å; R115-Y197 VanDerWaalsContact CD-CE2 3.46Å; R116-Y197 WeakPolarHBondContact CB-OH 3.46Å; R116-Y197 PolarHBondContact N-OH 3.03Å; W168-Y197 AromaticContact CD1-CE1 3.87Å; I171-Y197 HydrophobicContact CD1-CD1 3.56Å; I171-Y197 HydrophobicContact CD1-CE1 3.56Å; D193-Y197 WeakPolarHBondContact O-CB 3.48Å; D193-Y197 PolarHBondContact O-N 2.96Å; L194-Y197 PolarHBondContact O-N 2.81Å; Y197-K199 PolarHBondContact O-N 2.89Å; Y197-E200 HydrophobicContact CD2-CB 4.47Å; Y197-E200 WeakPolarHBondContact O-CB 3.48Å; Y197-E200 PolarHBondContact O-N 2.86Å; Y197-V201 HydrophobicContact CD2-CG2 3.82Å; Y197-V201 HydrophobicContact CE2-CG2 3.39Å; Y197-V201 WeakPolarHBondContact O-CG2 3.38Å; Y197-V201 PolarHBondContact O-N 3.42Å
198	V	93.8	Very high	92.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.1	-37.3	177.3	173.6	0	0	0	0	111.2	I171 V177 L194 L196 V201 S202 K205 N207	I171-V198 HydrophobicContact CG1-CG2 4.32Å; I171-V198 HydrophobicContact CG2-CG2 4.1Å; V177-V198 HydrophobicContact CB-CG1 4.31Å; V177-V198 HydrophobicContact CB-CG2 3.95Å; V177-V198 HydrophobicContact CG1-CG2 4.05Å; V177-V198 HydrophobicContact CG2-CG1 3.93Å; V177-V198 HydrophobicContact CG2-CG2 3.74Å; L194-V198 HydrophobicContact CG-CG2 4.5Å; L194-V198 WeakPolarHBondContact O-CG2 3.49Å; L194-V198 PolarHBondContact O-N 3.19Å; L196-V198 VanDerWaalsContact C-N 3.33Å; L196-V198 PolarHBondContact O-N 2.8Å; V198-V201 PolarHBondContact O-N 2.9Å; V198-S202 PolarHBondContact O-N 3.46Å; V198-S202 VanDerWaalsContact O-N 3.1Å; V198-K205 HydrophobicContact CG1-CB 3.58Å; V198-K205 HydrophobicContact CG1-CD 4.19Å; V198-K205 HydrophobicContact CG1-CG 4.5Å; V198-N207 VanDerWaalsContact CB-OD1 3.23Å; V198-N207 WeakPolarHBondContact CB-OD1 3.44Å; V198-N207 VanDerWaalsContact CG1-OD1 3.26Å; V198-N207 WeakPolarHBondContact CG1-OD1 3.23Å
199	K	93	Very high	92.6	Very high	93 Å²	93	43.4 Å²	43.4	40%	0.404	22%	0.223	S	C	.	.	H	α-helix	trans	-73.4	-36.2	175	-69.6	-56.4	-161.5	-179.4	0	113.2	E195 L196 Y197 V201 S202 E203 K205	E195-K199 PolarHBondContact O-N 2.85Å; L196-K199 WeakPolarHBondContact O-CB 3.33Å; L196-K199 PolarHBondContact O-N 3.19Å; Y197-K199 PolarHBondContact O-N 2.89Å; K199-V201 VanDerWaalsContact C-N 3.28Å; K199-V201 PolarHBondContact O-N 3.05Å; K199-S202 CarbonylContact O-C 3.55Å; K199-S202 VanDerWaalsContact O-C 3.32Å; K199-S202 PolarHBondContact O-N 3.21Å; K199-E203 PolarHBondContact NZ-O 2.98Å; K199-E203 PolarHBondContact O-N 3.43Å; K199-K205 WeakPolarHBondContact CE-O 3.38Å; K199-K205 PolarHBondContact NZ-O 3.05Å
200	E	92.8	Very high	92.8	Very high	117 Å²	117	43.1 Å²	43.1	55%	0.547	22%	0.221	S	C	.	.	H	α-helix	trans	-60.6	-36	171.4	-68.3	167.1	-146.3	0	0	112.2	R115 L196 Y197	R115-E200 WeakPolarHBondContact CD-OE2 3.29Å; R115-E200 IonicContact CZ-OE1 2.77Å; R115-E200 IonicContact CZ-OE2 3.9Å; R115-E200 IonicContact NE-OE1 2.85Å; R115-E200 PolarHBondContact NE-OE1 2.81Å; R115-E200 IonicContact NE-OE2 2.89Å; R115-E200 PolarHBondContact NE-OE2 3.31Å; R115-E200 IonicContact NH2-OE1 3.85Å; R115-E200 PolarHBondContact NH2-OE1 2.97Å; R115-E200 IonicContact NH2-OE2 4Å; L196-E200 WeakPolarHBondContact O-CG 3.18Å; L196-E200 PolarHBondContact O-N 3.01Å; Y197-E200 HydrophobicContact CD2-CB 4.47Å; Y197-E200 WeakPolarHBondContact O-CB 3.48Å; Y197-E200 PolarHBondContact O-N 2.86Å
201	V	90.4	Very high	93	Very high	58 Å²	58	41.8 Å²	41.8	35%	0.352	22%	0.217	S	C	.	.	H	α-helix	trans	-74.3	-41.2	176.6	174	0	0	0	0	111.7	I171 Y197 V198 K199 K205	I171-V201 HydrophobicContact CG2-CB 4.32Å; I171-V201 HydrophobicContact CG2-CG1 4.39Å; I171-V201 HydrophobicContact CG2-CG2 4.12Å; Y197-V201 HydrophobicContact CD2-CG2 3.82Å; Y197-V201 HydrophobicContact CE2-CG2 3.39Å; Y197-V201 WeakPolarHBondContact O-CG2 3.38Å; Y197-V201 PolarHBondContact O-N 3.42Å; V198-V201 PolarHBondContact O-N 2.9Å; K199-V201 VanDerWaalsContact C-N 3.28Å; K199-V201 PolarHBondContact O-N 3.05Å; V201-K205 HydrophobicContact CG1-CD 4.45Å
202	S	89.4	Confident	93.1	Very high	39 Å²	39	41.6 Å²	41.6	27%	0.273	22%	0.215	S	C	.	.			trans	-163.7	127.3	171.1	-171.3	0	0	0	0	112	V198 K199 N204 K205	V198-S202 PolarHBondContact O-N 3.46Å; V198-S202 VanDerWaalsContact O-N 3.1Å; K199-S202 CarbonylContact O-C 3.55Å; K199-S202 VanDerWaalsContact O-C 3.32Å; K199-S202 PolarHBondContact O-N 3.21Å; S202-N204 PolarHBondContact O-N 2.9Å; S202-K205 PolarHBondContact O-N 3.34Å; S202-K205 VanDerWaalsContact O-N 3.08Å
203	E	89	Confident	93.2	Very high	167 Å²	167	40.8 Å²	40.8	78%	0.78	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-30.8	176.3	-62.4	-179.4	170.3	0	0	112.9	K199 K205	K199-E203 PolarHBondContact NZ-O 2.98Å; K199-E203 PolarHBondContact O-N 3.43Å; E203-K205 VanDerWaalsContact C-N 3.3Å; E203-K205 PolarHBondContact O-N 3.21Å
204	N	89.8	Confident	93.2	Very high	90 Å²	90	40 Å²	40	48%	0.481	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-20.2	179.5	-67.5	-44	0	0	0	113.8	S202 H355 P358	S202-N204 PolarHBondContact O-N 2.9Å; N204-H355 PolarHBondContact O-CE1 3.12Å; N204-P358 HydrophobicContact CB-CG 4.29Å
205	K	91.9	Very high	93.2	Very high	11 Å²	11	42.9 Å²	42.9	5%	0.048	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-72.9	141.9	-179.3	-72.3	169.1	-172.4	-79.2	0	110.7	I171 E172 S174 D175 V198 K199 V201 S202 E203 C360	I171-K205 WeakPolarHBondContact O-CE 3.33Å; I171-K205 PolarHBondContact O-NZ 3.3Å; E172-K205 PolarHBondContact O-NZ 2.81Å; S174-K205 PolarHBondContact O-NZ 3.34Å; D175-K205 VanDerWaalsContact O-CA 3.3Å; D175-K205 WeakPolarHBondContact O-CA 3.47Å; V198-K205 HydrophobicContact CG1-CB 3.58Å; V198-K205 HydrophobicContact CG1-CD 4.19Å; V198-K205 HydrophobicContact CG1-CG 4.5Å; K199-K205 WeakPolarHBondContact CE-O 3.38Å; K199-K205 PolarHBondContact NZ-O 3.05Å; V201-K205 HydrophobicContact CG1-CD 4.45Å; S202-K205 PolarHBondContact O-N 3.34Å; S202-K205 VanDerWaalsContact O-N 3.08Å; E203-K205 VanDerWaalsContact C-N 3.3Å; E203-K205 PolarHBondContact O-N 3.21Å; K205-C360 PolarHBondContact NZ-SG 3.27Å; K205-C360 VanDerWaalsContact NZ-SG 3.38Å
206	V	92.8	Very high	93.1	Very high	16 Å²	16	42.7 Å²	42.7	10%	0.097	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	128.2	-176.8	179.9	0	0	0	0	110.3	D175 I176 V177 H355	D175-V206 PolarHBondContact O-N 2.94Å; I176-V206 CarbonylContact C-O 3.57Å; I176-V206 WeakPolarHBondContact CA-O 3.43Å; I176-V206 HydrophobicContact CG1-CB 4.31Å; I176-V206 HydrophobicContact CG2-CB 4.35Å; I176-V206 HydrophobicContact CG2-CG1 4.48Å; V177-V206 PolarHBondContact N-O 3.23Å; V206-H355 HydrophobicContact CG2-CB 4.38Å
207	N	94.3	Very high	93.1	Very high	33 Å²	33	38 Å²	38	18%	0.176	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	139.7	169.9	-68.6	-41.7	0	0	0	109.8	E195 V198	E195-N207 WeakPolarHBondContact CA-ND2 3.45Å; E195-N207 PolarHBondContact O-ND2 3.13Å; V198-N207 VanDerWaalsContact CB-OD1 3.23Å; V198-N207 WeakPolarHBondContact CB-OD1 3.44Å; V198-N207 VanDerWaalsContact CG1-OD1 3.26Å; V198-N207 WeakPolarHBondContact CG1-OD1 3.23Å
208	M	94.6	Very high	92.9	Very high	8 Å²	8	39.5 Å²	39.5	4%	0.039	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	145.2	175.4	-155.5	-162.4	71.4	0	0	111.1	V177 V178 Q179 R235 V237 F351	V177-M208 PolarHBondContact O-N 2.9Å; V178-M208 CarbonylContact C-O 3.51Å; V178-M208 WeakPolarHBondContact CA-O 3.05Å; V178-M208 HydrophobicContact CG1-CE 3.89Å; V178-M208 HydrophobicContact CG2-CB 4.46Å; V178-M208 HydrophobicContact CG2-CE 4.02Å; Q179-M208 PolarHBondContact N-O 3.48Å; M208-R235 HydrophobicContact CG-CB 3.87Å; M208-R235 WeakPolarHBondContact CG-O 3.27Å; M208-V237 HydrophobicContact CE-CB 4.48Å; M208-V237 HydrophobicContact CE-CG2 4.23Å; M208-V237 HydrophobicContact SD-CG2 4.09Å; M208-F351 HydrophobicContact CE-CD1 4.02Å; M208-F351 HydrophobicContact CE-CE1 3.47Å; M208-F351 VanDerWaalsContact CE-CE1 3.47Å; M208-F351 HydrophobicContact SD-CD1 4.29Å; M208-F351 HydrophobicContact SD-CE1 4.31Å
209	L	95.8	Very high	92.8	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	120.5	-179.2	-168.9	72.2	0	0	0	110.1	Q179 V181 R190 V211 F229 V234 R235 A236 V237	Q179-L209 HydrophobicContact CB-CD1 4.25Å; Q179-L209 HydrophobicContact CG-CD1 4.49Å; V181-L209 HydrophobicContact CB-CD1 4.45Å; V181-L209 HydrophobicContact CG1-CD1 3.66Å; V181-L209 HydrophobicContact CG2-CD1 3.89Å; V181-L209 HydrophobicContact CG2-CD2 4.35Å; V181-L209 HydrophobicContact CG2-CG 4.03Å; R190-L209 HydrophobicContact CG-CD1 4.38Å; L209-V211 HydrophobicContact CD2-CG2 4.07Å; L209-V211 HydrophobicContact CG-CG2 4.18Å; L209-F229 HydrophobicContact CD2-CD1 3.99Å; L209-F229 HydrophobicContact CD2-CE1 3.57Å; L209-F229 HydrophobicContact CD2-CE2 4.18Å; L209-F229 HydrophobicContact CD2-CG 4.47Å; L209-F229 HydrophobicContact CD2-CZ 3.68Å; L209-V234 HydrophobicContact CB-CG1 4.02Å; L209-V234 HydrophobicContact CD2-CG1 4.29Å; L209-R235 PolarHBondContact N-O 3.03Å; L209-A236 HydrophobicContact CB-CB 4.28Å; L209-A236 HydrophobicContact CD2-CB 4.31Å; L209-A236 WeakPolarHBondContact O-CA 3.49Å; L209-V237 PolarHBondContact O-N 3.47Å
210	L	96.4	Very high	92.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	103.5	174.6	-172.1	67.2	0	0	0	109.8	V178 Q179 I180 V181 N212 V237 W239 L347 T380	V178-L210 HydrophobicContact CG1-CB 3.55Å; V178-L210 HydrophobicContact CG1-CD2 4.37Å; Q179-L210 PolarHBondContact O-N 3.05Å; I180-L210 WeakPolarHBondContact CA-O 3.41Å; I180-L210 HydrophobicContact CD1-CD2 4.23Å; I180-L210 HydrophobicContact CG1-CB 4.26Å; I180-L210 HydrophobicContact CG1-CD2 4.19Å; V181-L210 PolarHBondContact N-O 2.84Å; L210-N212 PolarHBondContact O-N 3.08Å; L210-V237 HydrophobicContact CD1-CB 4.17Å; L210-V237 HydrophobicContact CD1-CG1 3.98Å; L210-W239 HydrophobicContact CD1-CB 3.59Å; L210-W239 HydrophobicContact CD1-CG 4.16Å; L210-W239 HydrophobicContact CD2-CG 4.48Å; L210-W239 HydrophobicContact CG-CB 4.1Å; L210-W239 HydrophobicContact CG-CG 4.47Å; L210-L347 HydrophobicContact CD1-CD1 3.75Å; L210-T380 HydrophobicContact CD2-CG2 4.05Å
211	V	96.6	Very high	92.6	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	92.9	-177.9	-174.6	0	0	0	0	108.4	V181 A183 P186 L209 F229 V237 F238 W239	V181-V211 HydrophobicContact CG2-CB 4.32Å; V181-V211 HydrophobicContact CG2-CG1 4.47Å; V181-V211 HydrophobicContact CG2-CG2 3.96Å; A183-V211 HydrophobicContact CB-CG1 3.57Å; P186-V211 HydrophobicContact CG-CG1 4.49Å; L209-V211 HydrophobicContact CD2-CG2 4.07Å; L209-V211 HydrophobicContact CG-CG2 4.18Å; V211-F229 HydrophobicContact CG2-CE2 4.01Å; V211-F229 HydrophobicContact CG2-CZ 4.46Å; V211-V237 PolarHBondContact N-O 3.22Å; V211-F238 HydrophobicContact CB-CD1 3.9Å; V211-F238 HydrophobicContact CB-CE1 4.15Å; V211-F238 HydrophobicContact CG1-CD1 3.78Å; V211-F238 HydrophobicContact CG1-CE1 3.83Å; V211-F238 HydrophobicContact CG2-CE1 4.46Å; V211-W239 PolarHBondContact O-N 3.22Å
212	N	95.6	Very high	92.8	Very high	5 Å²	5	37 Å²	37	3%	0.027	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	157.1	-174.5	-174.3	40.6	0	0	0	112.3	I180 V181 A183 L210 A214 W239 A241 V375	I180-N212 HydrophobicContact CG2-CB 3.82Å; V181-N212 PolarHBondContact O-N 3.18Å; A183-N212 VanDerWaalsContact CB-O 3.3Å; A183-N212 WeakPolarHBondContact CB-O 3.44Å; A183-N212 PolarHBondContact N-O 3.12Å; L210-N212 PolarHBondContact O-N 3.08Å; N212-A214 VanDerWaalsContact C-N 3.28Å; N212-W239 CarbonylContact C-O 3.55Å; N212-W239 VanDerWaalsContact CA-O 3.32Å; N212-W239 WeakPolarHBondContact CA-O 3.4Å; N212-W239 VanDerWaalsContact OD1-CD1 3.23Å; N212-A241 PolarHBondContact OD1-N 2.8Å; N212-V375 PolarHBondContact ND2-O 2.69Å
213	K	94.4	Very high	92.9	Very high	46 Å²	46	39.4 Å²	39.4	20%	0.2	19%	0.19	C	C	.	.			trans	66.3	30.4	-169.2	-45	176.4	-168.3	168.4	0	112.4	D182 D215 L216 W239 N374 V375	D182-K213 WeakPolarHBondContact OD2-CD 3.39Å; D182-K213 WeakPolarHBondContact OD2-CE 3.49Å; D182-K213 IonicContact OD2-NZ 3.99Å; D182-K213 PolarHBondContact OD2-NZ 3.11Å; K213-D215 VanDerWaalsContact CA-OD1 3.24Å; K213-D215 WeakPolarHBondContact CA-OD1 3.35Å; K213-D215 PolarHBondContact O-N 3.14Å; K213-L216 HydrophobicContact CB-CD1 3.99Å; K213-L216 HydrophobicContact CB-CG 4.33Å; K213-L216 HydrophobicContact CD-CD1 4.47Å; K213-L216 WeakPolarHBondContact O-CB 3.37Å; K213-L216 PolarHBondContact O-N 3.12Å; K213-W239 PolarHBondContact N-O 3.38Å; K213-W239 VanDerWaalsContact N-O 3.12Å; K213-N374 PolarHBondContact NZ-O 3.43Å; K213-V375 WeakPolarHBondContact CE-O 3.37Å
214	A	93.8	Very high	93.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-67.2	-11.9	-179	0	0	0	0	0	113.5	N212 L216 L217 F238 W239 L341	N212-A214 VanDerWaalsContact C-N 3.28Å; A214-L216 PolarHBondContact O-N 3.13Å; A214-L217 PolarHBondContact O-N 3.27Å; A214-L217 VanDerWaalsContact O-N 3.1Å; A214-F238 HydrophobicContact CB-CB 3.86Å; A214-F238 HydrophobicContact CB-CD1 4.03Å; A214-F238 HydrophobicContact CB-CG 4.44Å; A214-W239 WeakPolarHBondContact CB-O 3.24Å; A214-W239 PolarHBondContact N-O 3.1Å; A214-L341 HydrophobicContact CB-CD2 3.46Å; A214-L341 VanDerWaalsContact CB-CD2 3.46Å
215	D	92.2	Very high	93.3	Very high	64 Å²	64	29.9 Å²	29.9	34%	0.342	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-61.5	-21.5	166	56.3	-69.3	0	0	0	113.7	K213 L217 S240	K213-D215 VanDerWaalsContact CA-OD1 3.24Å; K213-D215 WeakPolarHBondContact CA-OD1 3.35Å; K213-D215 PolarHBondContact O-N 3.14Å; D215-L217 PolarHBondContact O-N 2.95Å; D215-S240 WeakPolarHBondContact OD1-CB 3.39Å; D215-S240 PolarHBondContact OD1-OG 2.75Å
216	L	91.8	Very high	93.4	Very high	31 Å²	31	29.5 Å²	29.5	16%	0.162	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-79.5	-1.7	173.6	-58.8	179.4	0	0	0	113	R184 K213 A214 L523	R184-L216 HydrophobicContact CG-CD1 4.11Å; K213-L216 HydrophobicContact CB-CD1 3.99Å; K213-L216 HydrophobicContact CB-CG 4.33Å; K213-L216 HydrophobicContact CD-CD1 4.47Å; K213-L216 WeakPolarHBondContact O-CB 3.37Å; K213-L216 PolarHBondContact O-N 3.12Å; A214-L216 PolarHBondContact O-N 3.13Å; L216-L523 HydrophobicContact CB-CD1 4Å; L216-L523 HydrophobicContact CB-CD2 4.35Å; L216-L523 HydrophobicContact CD1-CD1 4.44Å; L216-L523 HydrophobicContact CD2-CD1 4.5Å; L216-L523 HydrophobicContact CD2-CD2 4.49Å; L216-L523 WeakPolarHBondContact O-CD2 3.47Å
217	L	92.1	Very high	93.3	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.042	17%	0.166	C	C	.	.	S	Bend	trans	-117.9	140	179.9	-76.9	71	0	0	0	111.5	A183 A214 D215 Q221 R222	A183-L217 HydrophobicContact CB-CD1 3.44Å; A183-L217 VanDerWaalsContact CB-CD1 3.44Å; A183-L217 HydrophobicContact CB-CD2 4.36Å; A214-L217 PolarHBondContact O-N 3.27Å; A214-L217 VanDerWaalsContact O-N 3.1Å; D215-L217 PolarHBondContact O-N 2.95Å; L217-Q221 VanDerWaalsContact CA-OE1 3.24Å; L217-Q221 HydrophobicContact CB-CB 4.15Å; L217-Q221 HydrophobicContact CD2-CB 4.29Å; L217-Q221 HydrophobicContact CG-CB 4.36Å; L217-R222 HydrophobicContact CB-CG 3.84Å; L217-R222 HydrophobicContact CD2-CG 4.34Å; L217-R222 PolarHBondContact O-NE 2.74Å
218	T	91.5	Very high	93.3	Very high	42 Å²	42	34.9 Å²	34.9	26%	0.258	16%	0.163	S	C	.	.			trans	-66.2	158.2	169.9	73.6	0	0	0	0	110.7	E220 Q221 R222	T218-E220 PolarHBondContact O-N 3.25Å; T218-Q221 PolarHBondContact O-N 3.01Å; T218-Q221 VanDerWaalsContact O-N 3.16Å; T218-Q221 WeakPolarHBondContact OG1-CG 3.41Å; T218-Q221 PolarHBondContact OG1-N 2.87Å; T218-R222 PolarHBondContact O-N 2.8Å
219	R	89.9	Confident	93.3	Very high	67 Å²	67	34.5 Å²	34.5	25%	0.253	16%	0.161	S	C	.	.	H	α-helix	trans	-57.9	-37.4	176.2	-169.9	177.3	-180	175	4.6	111.7	R222 K223 E264 D266	R219-R222 PolarHBondContact O-N 2.74Å; R219-K223 WeakPolarHBondContact O-CB 3.39Å; R219-K223 PolarHBondContact O-N 3.3Å; R219-E264 PolarHBondContact NH1-O 3.17Å; R219-E264 IonicContact NH1-OE2 3.63Å; R219-E264 PolarHBondContact NH2-O 3.46Å; R219-D266 IonicContact CZ-OD2 3.06Å; R219-D266 IonicContact NE-OD2 3.19Å; R219-D266 IonicContact NH2-OD1 3.54Å; R219-D266 IonicContact NH2-OD2 3.84Å; R219-D266 PolarHBondContact NH2-OD2 3.01Å
220	E	90.3	Very high	93.1	Very high	130 Å²	130	38.1 Å²	38.1	61%	0.607	18%	0.177	S	C	*	.	H	α-helix	trans	-60.3	-49.6	173.7	-58.9	169.4	151.8	0	0	112.1	T218 R222 K223 I224	T218-E220 PolarHBondContact O-N 3.25Å; E220-R222 VanDerWaalsContact C-N 3.28Å; E220-R222 PolarHBondContact O-N 3.37Å; E220-K223 PolarHBondContact O-N 3.49Å; E220-I224 WeakPolarHBondContact O-CG1 3.33Å; E220-I224 PolarHBondContact O-N 3.01Å
221	Q	91.8	Very high	92.8	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.019	21%	0.213	C	C	.	.	H	α-helix	trans	-60.6	-38.1	176.5	-71.7	172.9	-26.4	0	0	111.6	L217 T218 W225 F536	L217-Q221 VanDerWaalsContact CA-OE1 3.24Å; L217-Q221 HydrophobicContact CB-CB 4.15Å; L217-Q221 HydrophobicContact CD2-CB 4.29Å; L217-Q221 HydrophobicContact CG-CB 4.36Å; T218-Q221 PolarHBondContact O-N 3.01Å; T218-Q221 VanDerWaalsContact O-N 3.16Å; T218-Q221 WeakPolarHBondContact OG1-CG 3.41Å; T218-Q221 PolarHBondContact OG1-N 2.87Å; Q221-W225 PolarHBondContact O-N 3.28Å; Q221-W225 VanDerWaalsContact O-N 3.08Å; Q221-F536 HydrophobicContact CB-CE1 4.45Å; Q221-F536 HydrophobicContact CB-CE2 3.81Å; Q221-F536 HydrophobicContact CB-CZ 3.67Å; Q221-F536 HydrophobicContact CG-CD1 4.43Å; Q221-F536 HydrophobicContact CG-CD2 4.06Å; Q221-F536 HydrophobicContact CG-CE1 4.05Å; Q221-F536 HydrophobicContact CG-CE2 3.66Å; Q221-F536 HydrophobicContact CG-CG 4.43Å; Q221-F536 HydrophobicContact CG-CZ 3.64Å; Q221-F536 PolarHBondContact NE2-O 3.26Å
222	R	93.9	Very high	92.5	Very high	15 Å²	15	51 Å²	51	6%	0.057	24%	0.235	C	C	.	.	H	α-helix	trans	-67.6	-41.5	174.6	-72	-175.3	-88.5	136	-14.2	112.3	L217 T218 R219 E220 I224 W225 A226 F238 E261 S339	L217-R222 HydrophobicContact CB-CG 3.84Å; L217-R222 HydrophobicContact CD2-CG 4.34Å; L217-R222 PolarHBondContact O-NE 2.74Å; T218-R222 PolarHBondContact O-N 2.8Å; R219-R222 PolarHBondContact O-N 2.74Å; E220-R222 VanDerWaalsContact C-N 3.28Å; E220-R222 PolarHBondContact O-N 3.37Å; R222-I224 VanDerWaalsContact C-N 3.31Å; R222-I224 PolarHBondContact O-N 2.99Å; R222-W225 PolarHBondContact O-N 2.92Å; R222-A226 WeakPolarHBondContact O-CB 3.45Å; R222-A226 PolarHBondContact O-N 2.77Å; R222-F238 HydrophobicContact CB-CD1 4.33Å; R222-F238 HydrophobicContact CB-CE1 4.19Å; R222-F238 HydrophobicContact CB-CE2 4.48Å; R222-F238 HydrophobicContact CB-CZ 4.27Å; R222-F238 HydrophobicContact CG-CD1 3.8Å; R222-F238 HydrophobicContact CG-CE1 3.93Å; R222-F238 HydrophobicContact CG-CG 4.26Å; R222-F238 WeakPolarHBondContact O-CZ 3.23Å; R222-E261 IonicContact CZ-OE1 2.77Å; R222-E261 IonicContact NH1-OE1 2.7Å; R222-E261 PolarHBondContact NH1-OE1 3.19Å; R222-E261 IonicContact NH1-OE2 3.62Å; R222-E261 IonicContact NH2-OE1 3.58Å; R222-E261 PolarHBondContact NH2-OE1 3.27Å; R222-S339 WeakPolarHBondContact CB-O 3.44Å; R222-S339 WeakPolarHBondContact CD-O 3.38Å; R222-S339 PolarHBondContact NH1-O 3.08Å
223	K	92.7	Very high	92.2	Very high	89 Å²	89	54 Å²	54	39%	0.387	27%	0.267	S	S	.	.	H	α-helix	trans	-62.1	-37.9	175.3	-168.7	162.9	-173.5	159	0	111.9	R219 E220 K227 D266	R219-K223 WeakPolarHBondContact O-CB 3.39Å; R219-K223 PolarHBondContact O-N 3.3Å; E220-K223 PolarHBondContact O-N 3.49Å; K223-K227 WeakPolarHBondContact O-CG 3.41Å; K223-K227 PolarHBondContact O-N 3.14Å; K223-D266 IonicContact NZ-OD1 2.8Å
224	I	92.7	Very high	92	Very high	55 Å²	55	52.4 Å²	52.4	28%	0.282	26%	0.262	S	S	.	.	H	α-helix	trans	-62.1	-49.1	171.9	-74.3	165.3	0	0	0	111.5	E220 R222 Y228 P528 I531 F536	E220-I224 WeakPolarHBondContact O-CG1 3.33Å; E220-I224 PolarHBondContact O-N 3.01Å; R222-I224 VanDerWaalsContact C-N 3.31Å; R222-I224 PolarHBondContact O-N 2.99Å; I224-Y228 PolarHBondContact O-N 3.23Å; I224-Y228 VanDerWaalsContact O-N 3.14Å; I224-P528 HydrophobicContact CG2-CG 3.77Å; I224-I531 HydrophobicContact CB-CD1 4.49Å; I224-I531 HydrophobicContact CD1-CD1 4.31Å; I224-I531 HydrophobicContact CG1-CD1 4.36Å; I224-I531 HydrophobicContact CG2-CD1 3.36Å; I224-F536 HydrophobicContact CB-CE2 4.19Å; I224-F536 HydrophobicContact CD1-CD2 3.97Å; I224-F536 HydrophobicContact CD1-CE2 4Å; I224-F536 HydrophobicContact CG2-CD2 4.45Å; I224-F536 HydrophobicContact CG2-CE2 3.85Å
225	W	94	Very high	92	Very high	1 Å²	1	56.6 Å²	56.6	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-66.8	-37.5	178.4	-85.7	112.8	0	0	0	113	P186 L187 Q221 R222 Y228 F229 F238 H526 P528 F536	P186-W225 HydrophobicContact CG-CD2 4.18Å; P186-W225 HydrophobicContact CG-CE3 4.33Å; P186-W225 HydrophobicContact CG-CH2 4.32Å; P186-W225 HydrophobicContact CG-CZ2 4.12Å; P186-W225 HydrophobicContact CG-CZ3 4.41Å; L187-W225 HydrophobicContact CD1-CH2 3.88Å; L187-W225 HydrophobicContact CD1-CZ3 4.32Å; L187-W225 HydrophobicContact CD2-CZ3 4.31Å; L187-W225 HydrophobicContact CG-CH2 3.78Å; L187-W225 HydrophobicContact CG-CZ3 4.02Å; Q221-W225 PolarHBondContact O-N 3.28Å; Q221-W225 VanDerWaalsContact O-N 3.08Å; R222-W225 PolarHBondContact O-N 2.92Å; W225-Y228 AromaticContact CE3-CD1 3.78Å; W225-Y228 HydrophobicContact CE3-CD1 3.78Å; W225-Y228 HydrophobicContact CE3-CG 4.38Å; W225-Y228 AromaticContact CZ3-CD1 3.6Å; W225-Y228 HydrophobicContact CZ3-CD1 3.6Å; W225-Y228 AromaticContact CZ3-CE1 3.98Å; W225-Y228 HydrophobicContact CZ3-CE1 3.98Å; W225-Y228 HydrophobicContact CZ3-CG 4.34Å; W225-Y228 PolarHBondContact O-N 3.42Å; W225-F229 HydrophobicContact CB-CD2 4.45Å; W225-F229 HydrophobicContact CB-CE2 4.07Å; W225-F229 HydrophobicContact CD2-CE2 4.36Å; W225-F229 HydrophobicContact CD2-CZ 4.4Å; W225-F229 HydrophobicContact CE3-CE1 4.15Å; W225-F229 AromaticContact CE3-CE2 3.79Å; W225-F229 HydrophobicContact CE3-CE2 3.79Å; W225-F229 AromaticContact CE3-CZ 3.55Å; W225-F229 HydrophobicContact CE3-CZ 3.55Å; W225-F229 HydrophobicContact CZ3-CE1 4.32Å; W225-F229 HydrophobicContact CZ3-CZ 4.01Å; W225-F229 WeakPolarHBondContact O-CD2 3.43Å; W225-F229 WeakPolarHBondContact O-CG 3.33Å; W225-F229 PolarHBondContact O-N 2.96Å; W225-F238 HydrophobicContact CB-CE1 4.1Å; W225-F238 HydrophobicContact CB-CZ 3.72Å; W225-H526 WeakPolarHBondContact CZ2-O 3.49Å; W225-P528 HydrophobicContact CD2-CG 3.93Å; W225-P528 HydrophobicContact CE3-CG 3.97Å; W225-P528 HydrophobicContact CH2-CB 4.27Å; W225-P528 HydrophobicContact CH2-CG 3.96Å; W225-P528 HydrophobicContact CZ2-CG 3.95Å; W225-P528 HydrophobicContact CZ3-CB 4.35Å; W225-P528 HydrophobicContact CZ3-CG 3.99Å; W225-F536 AromaticContact CD1-CZ 3.83Å; W225-F536 AromaticContact NE1-CZ 3.54Å
226	A	93.4	Very high	92.1	Very high	4 Å²	4	53.6 Å²	53.6	3%	0.033	26%	0.261	C	S	.	.	H	α-helix	trans	-57.1	-52.7	176.2	0	0	0	0	0	111.7	R222 Y228 F229 E230 F238 N337	R222-A226 WeakPolarHBondContact O-CB 3.45Å; R222-A226 PolarHBondContact O-N 2.77Å; A226-Y228 VanDerWaalsContact C-N 3.29Å; A226-Y228 PolarHBondContact O-N 3.45Å; A226-F229 PolarHBondContact O-N 2.97Å; A226-E230 WeakPolarHBondContact O-CB 3.47Å; A226-E230 PolarHBondContact O-N 3.44Å; A226-F238 HydrophobicContact CB-CE2 4.02Å; A226-N337 HydrophobicContact CB-CB 4.13Å; A226-N337 WeakPolarHBondContact CB-O 3.42Å; A226-N337 PolarHBondContact O-ND2 3.37Å
227	K	92.6	Very high	92.2	Very high	134 Å²	134	52.2 Å²	52.2	58%	0.583	25%	0.254	S	S	*	.	H	α-helix	trans	-59.5	-37.5	175.5	-71.7	-173.1	174.6	-161.4	0	112.6	K223 K231	K223-K227 WeakPolarHBondContact O-CG 3.41Å; K223-K227 PolarHBondContact O-N 3.14Å; K227-K231 WeakPolarHBondContact O-CB 3.5Å; K227-K231 PolarHBondContact O-N 2.75Å
228	Y	93.3	Very high	92.4	Very high	28 Å²	28	51.8 Å²	51.8	11%	0.11	25%	0.252	C	S	.	.	H	α-helix	trans	-64.9	-47.3	176	176	-96.8	0	0	0	112	L187 I224 W225 A226 E230 K231 E232 P528	L187-Y228 HydrophobicContact CD2-CE1 3.88Å; I224-Y228 PolarHBondContact O-N 3.23Å; I224-Y228 VanDerWaalsContact O-N 3.14Å; W225-Y228 AromaticContact CE3-CD1 3.78Å; W225-Y228 HydrophobicContact CE3-CD1 3.78Å; W225-Y228 HydrophobicContact CE3-CG 4.38Å; W225-Y228 AromaticContact CZ3-CD1 3.6Å; W225-Y228 HydrophobicContact CZ3-CD1 3.6Å; W225-Y228 AromaticContact CZ3-CE1 3.98Å; W225-Y228 HydrophobicContact CZ3-CE1 3.98Å; W225-Y228 HydrophobicContact CZ3-CG 4.34Å; W225-Y228 PolarHBondContact O-N 3.42Å; A226-Y228 VanDerWaalsContact C-N 3.29Å; A226-Y228 PolarHBondContact O-N 3.45Å; Y228-E230 VanDerWaalsContact C-N 3.33Å; Y228-E230 PolarHBondContact O-N 3.26Å; Y228-K231 PolarHBondContact O-N 3.28Å; Y228-E232 HydrophobicContact CD1-CG 4.49Å; Y228-E232 HydrophobicContact CE1-CG 3.94Å; Y228-E232 HydrophobicContact CE2-CG 4.11Å; Y228-E232 VanDerWaalsContact O-CG 3.31Å; Y228-E232 WeakPolarHBondContact O-CG 3.44Å; Y228-E232 PolarHBondContact O-N 3.06Å; Y228-E232 PolarHBondContact OH-OE1 3.18Å; Y228-E232 VanDerWaalsContact OH-OE1 3.13Å; Y228-P528 HydrophobicContact CD2-CB 4.09Å; Y228-P528 HydrophobicContact CG-CB 4.15Å; Y228-P528 HydrophobicContact CG-CG 4.44Å
229	F	93.6	Very high	92.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-67	-34	177.9	-67.1	-51.2	0	0	0	113	P186 L209 V211 W225 A226 E232 G233 V234 A236	P186-F229 HydrophobicContact CB-CZ 3.74Å; P186-F229 HydrophobicContact CG-CZ 4.29Å; L209-F229 HydrophobicContact CD2-CD1 3.99Å; L209-F229 HydrophobicContact CD2-CE1 3.57Å; L209-F229 HydrophobicContact CD2-CE2 4.18Å; L209-F229 HydrophobicContact CD2-CG 4.47Å; L209-F229 HydrophobicContact CD2-CZ 3.68Å; V211-F229 HydrophobicContact CG2-CE2 4.01Å; V211-F229 HydrophobicContact CG2-CZ 4.46Å; W225-F229 HydrophobicContact CB-CD2 4.45Å; W225-F229 HydrophobicContact CB-CE2 4.07Å; W225-F229 HydrophobicContact CD2-CE2 4.36Å; W225-F229 HydrophobicContact CD2-CZ 4.4Å; W225-F229 HydrophobicContact CE3-CE1 4.15Å; W225-F229 AromaticContact CE3-CE2 3.79Å; W225-F229 HydrophobicContact CE3-CE2 3.79Å; W225-F229 AromaticContact CE3-CZ 3.55Å; W225-F229 HydrophobicContact CE3-CZ 3.55Å; W225-F229 HydrophobicContact CZ3-CE1 4.32Å; W225-F229 HydrophobicContact CZ3-CZ 4.01Å; W225-F229 WeakPolarHBondContact O-CD2 3.43Å; W225-F229 WeakPolarHBondContact O-CG 3.33Å; W225-F229 PolarHBondContact O-N 2.96Å; A226-F229 PolarHBondContact O-N 2.97Å; F229-E232 CarbonylContact O-C 3.58Å; F229-E232 PolarHBondContact O-N 2.75Å; F229-G233 PolarHBondContact O-N 2.88Å; F229-V234 HydrophobicContact CB-CB 4.21Å; F229-V234 HydrophobicContact CD1-CB 4.48Å; F229-V234 PolarHBondContact O-N 3.2Å; F229-A236 HydrophobicContact CB-CB 3.63Å; F229-A236 HydrophobicContact CD2-CB 3.43Å; F229-A236 VanDerWaalsContact CD2-CB 3.43Å; F229-A236 HydrophobicContact CE2-CB 4.22Å; F229-A236 HydrophobicContact CG-CB 3.62Å
230	E	91.6	Very high	92.8	Very high	76 Å²	76	46.9 Å²	46.9	36%	0.355	23%	0.23	S	C	.	.	H	α-helix	trans	-64.9	-45.3	176	-177.9	165.7	-121.7	0	0	111.5	A226 Y228 E232 G233 H336 N337	A226-E230 WeakPolarHBondContact O-CB 3.47Å; A226-E230 PolarHBondContact O-N 3.44Å; Y228-E230 VanDerWaalsContact C-N 3.33Å; Y228-E230 PolarHBondContact O-N 3.26Å; E230-E232 PolarHBondContact O-N 3.08Å; E230-G233 PolarHBondContact O-N 2.95Å; E230-H336 IonicContact OE1-CD2 3.61Å; E230-H336 PolarHBondContact OE1-CD2 3.13Å; E230-H336 IonicContact OE1-CG 2.75Å; E230-N337 WeakPolarHBondContact CA-ND2 3.43Å; E230-N337 PolarHBondContact N-ND2 3.19Å
231	K	91.5	Very high	92.9	Very high	173 Å²	173	40.9 Å²	40.9	75%	0.752	20%	0.203	S	C	*	.	H	α-helix	trans	-59.6	-31.9	172.9	-175.7	176.2	-180	177.9	0	113.2	K227 Y228 G233	K227-K231 WeakPolarHBondContact O-CB 3.5Å; K227-K231 PolarHBondContact O-N 2.75Å; Y228-K231 PolarHBondContact O-N 3.28Å; K231-G233 VanDerWaalsContact C-N 3.29Å
232	E	89.4	Confident	92.8	Very high	98 Å²	98	45.9 Å²	45.9	46%	0.458	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-0.3	176	-65.2	-88.1	146.5	0	0	113.2	R190 Y228 F229 E230 V234	R190-E232 IonicContact NH1-OE2 3.27Å; Y228-E232 HydrophobicContact CD1-CG 4.49Å; Y228-E232 HydrophobicContact CE1-CG 3.94Å; Y228-E232 HydrophobicContact CE2-CG 4.11Å; Y228-E232 VanDerWaalsContact O-CG 3.31Å; Y228-E232 WeakPolarHBondContact O-CG 3.44Å; Y228-E232 PolarHBondContact O-N 3.06Å; Y228-E232 PolarHBondContact OH-OE1 3.18Å; Y228-E232 VanDerWaalsContact OH-OE1 3.13Å; F229-E232 CarbonylContact O-C 3.58Å; F229-E232 PolarHBondContact O-N 2.75Å; E230-E232 PolarHBondContact O-N 3.08Å; E232-V234 VanDerWaalsContact C-N 3.29Å; E232-V234 HydrophobicContact CB-CG2 3.8Å; E232-V234 PolarHBondContact O-N 3.17Å
233	G	90	Very high	92.6	Very high	69 Å²	69	47.2 Å²	47.2	71%	0.711	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.7	20.5	-177.4	0	0	0	0	0	114.5	F229 E230 K231	F229-G233 PolarHBondContact O-N 2.88Å; E230-G233 PolarHBondContact O-N 2.95Å; K231-G233 VanDerWaalsContact C-N 3.29Å
234	V	90.6	Very high	92.5	Very high	13 Å²	13	43.5 Å²	43.5	8%	0.079	23%	0.227	C	C	.	.			trans	-99.5	123.6	-173.2	-175.2	0	0	0	0	110.5	L209 F229 E232 A236 N337	L209-V234 HydrophobicContact CB-CG1 4.02Å; L209-V234 HydrophobicContact CD2-CG1 4.29Å; F229-V234 HydrophobicContact CB-CB 4.21Å; F229-V234 HydrophobicContact CD1-CB 4.48Å; F229-V234 PolarHBondContact O-N 3.2Å; E232-V234 VanDerWaalsContact C-N 3.29Å; E232-V234 HydrophobicContact CB-CG2 3.8Å; E232-V234 PolarHBondContact O-N 3.17Å; V234-A236 PolarHBondContact O-N 2.91Å; V234-A236 VanDerWaalsContact O-N 3.14Å; V234-N337 PolarHBondContact O-ND2 3.15Å; V234-N337 PolarHBondContact O-OD1 2.93Å
235	R	93.3	Very high	92.4	Very high	87 Å²	87	42.9 Å²	42.9	33%	0.328	23%	0.228	S	C	.	.			trans	-70.8	103.7	170.6	-58.1	-173.5	-178.3	-177.4	-1.3	109.4	M208 L209 F335 S354	M208-R235 HydrophobicContact CG-CB 3.87Å; M208-R235 WeakPolarHBondContact CG-O 3.27Å; L209-R235 PolarHBondContact N-O 3.03Å; R235-F335 HydrophobicContact CB-CD1 3.72Å; R235-F335 HydrophobicContact CB-CE1 3.68Å; R235-F335 HydrophobicContact CB-CG 4.2Å; R235-F335 HydrophobicContact CB-CZ 4.1Å; R235-F335 HydrophobicContact CG-CB 4.04Å; R235-F335 HydrophobicContact CG-CD1 3.68Å; R235-F335 HydrophobicContact CG-CD2 4.21Å; R235-F335 HydrophobicContact CG-CE1 4.15Å; R235-F335 HydrophobicContact CG-CG 3.71Å; R235-S354 PolarHBondContact NH1-O 3.13Å
236	A	94.3	Very high	92.2	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.008	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.3	-174.4	0	0	0	0	0	111.9	L209 F229 V234 N337	L209-A236 HydrophobicContact CB-CB 4.28Å; L209-A236 HydrophobicContact CD2-CB 4.31Å; L209-A236 WeakPolarHBondContact O-CA 3.49Å; F229-A236 HydrophobicContact CB-CB 3.63Å; F229-A236 HydrophobicContact CD2-CB 3.43Å; F229-A236 VanDerWaalsContact CD2-CB 3.43Å; F229-A236 HydrophobicContact CE2-CB 4.22Å; F229-A236 HydrophobicContact CG-CB 3.62Å; V234-A236 PolarHBondContact O-N 2.91Å; V234-A236 VanDerWaalsContact O-N 3.14Å; A236-N337 PolarHBondContact N-OD1 2.8Å; A236-N337 PolarHBondContact O-OD1 3.33Å
237	V	94.6	Very high	91.9	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.6	-176.3	174	0	0	0	0	109.8	M208 L209 L210 V211 F335 L342 L347	M208-V237 HydrophobicContact CE-CB 4.48Å; M208-V237 HydrophobicContact CE-CG2 4.23Å; M208-V237 HydrophobicContact SD-CG2 4.09Å; L209-V237 PolarHBondContact O-N 3.47Å; L210-V237 HydrophobicContact CD1-CB 4.17Å; L210-V237 HydrophobicContact CD1-CG1 3.98Å; V211-V237 PolarHBondContact N-O 3.22Å; V237-F335 HydrophobicContact CG2-CZ 4.26Å; V237-L342 HydrophobicContact CG1-CD1 3.39Å; V237-L342 HydrophobicContact CG1-CG 3.82Å; V237-L347 HydrophobicContact CG1-CD1 3.91Å
238	F	95.9	Very high	91.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	133.1	176.7	-63.9	-86.3	0	0	0	111.4	V211 A214 R222 W225 A226 S338 L341 L342	V211-F238 HydrophobicContact CB-CD1 3.9Å; V211-F238 HydrophobicContact CB-CE1 4.15Å; V211-F238 HydrophobicContact CG1-CD1 3.78Å; V211-F238 HydrophobicContact CG1-CE1 3.83Å; V211-F238 HydrophobicContact CG2-CE1 4.46Å; A214-F238 HydrophobicContact CB-CB 3.86Å; A214-F238 HydrophobicContact CB-CD1 4.03Å; A214-F238 HydrophobicContact CB-CG 4.44Å; R222-F238 HydrophobicContact CB-CD1 4.33Å; R222-F238 HydrophobicContact CB-CE1 4.19Å; R222-F238 HydrophobicContact CB-CE2 4.48Å; R222-F238 HydrophobicContact CB-CZ 4.27Å; R222-F238 HydrophobicContact CG-CD1 3.8Å; R222-F238 HydrophobicContact CG-CE1 3.93Å; R222-F238 HydrophobicContact CG-CG 4.26Å; R222-F238 WeakPolarHBondContact O-CZ 3.23Å; W225-F238 HydrophobicContact CB-CE1 4.1Å; W225-F238 HydrophobicContact CB-CZ 3.72Å; A226-F238 HydrophobicContact CB-CE2 4.02Å; F238-S338 WeakPolarHBondContact CD2-O 3.22Å; F238-L341 HydrophobicContact CB-CD2 4.19Å; F238-L342 PolarHBondContact O-N 3.36Å
239	W	95.1	Very high	91.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	147	-173.3	174.3	-105.4	0	0	0	111.5	L210 V211 N212 K213 A214 E244 L342 K344 L347 T380 T383	L210-W239 HydrophobicContact CD1-CB 3.59Å; L210-W239 HydrophobicContact CD1-CG 4.16Å; L210-W239 HydrophobicContact CD2-CG 4.48Å; L210-W239 HydrophobicContact CG-CB 4.1Å; L210-W239 HydrophobicContact CG-CG 4.47Å; V211-W239 PolarHBondContact O-N 3.22Å; N212-W239 CarbonylContact C-O 3.55Å; N212-W239 VanDerWaalsContact CA-O 3.32Å; N212-W239 WeakPolarHBondContact CA-O 3.4Å; N212-W239 VanDerWaalsContact OD1-CD1 3.23Å; K213-W239 PolarHBondContact N-O 3.38Å; K213-W239 VanDerWaalsContact N-O 3.12Å; A214-W239 WeakPolarHBondContact CB-O 3.24Å; A214-W239 PolarHBondContact N-O 3.1Å; W239-E244 HydrophobicContact CH2-CB 4.11Å; W239-E244 HydrophobicContact CH2-CG 3.76Å; W239-E244 HydrophobicContact CZ2-CB 4.37Å; W239-E244 HydrophobicContact CZ2-CG 4.36Å; W239-E244 HydrophobicContact CZ3-CG 4.37Å; W239-L342 WeakPolarHBondContact CZ3-O 3.22Å; W239-K344 HydrophobicContact CH2-CB 4.2Å; W239-L347 HydrophobicContact CD2-CD2 3.89Å; W239-L347 HydrophobicContact CE3-CB 4.35Å; W239-L347 HydrophobicContact CE3-CD2 3.71Å; W239-L347 HydrophobicContact CE3-CG 4.48Å; W239-L347 HydrophobicContact CH2-CD2 4.07Å; W239-L347 HydrophobicContact CZ2-CD2 4.25Å; W239-L347 HydrophobicContact CZ3-CB 4.11Å; W239-L347 HydrophobicContact CZ3-CD2 3.79Å; W239-T380 PolarHBondContact NE1-OG1 3.39Å; W239-T383 HydrophobicContact CH2-CG2 4.48Å; W239-T383 HydrophobicContact CZ2-CG2 4.03Å
240	S	94.9	Very high	91.1	Very high	5 Å²	5	48.5 Å²	48.5	4%	0.035	26%	0.263	C	S	.	.			trans	-132.5	104.1	165.5	-178.2	0	0	0	0	111	D215 L242 A243 E244	D215-S240 WeakPolarHBondContact OD1-CB 3.39Å; D215-S240 PolarHBondContact OD1-OG 2.75Å; S240-L242 PolarHBondContact O-N 2.94Å; S240-L242 PolarHBondContact OG-N 3.41Å; S240-A243 PolarHBondContact O-N 2.97Å; S240-A243 PolarHBondContact OG-N 3.47Å; S240-A243 VanDerWaalsContact OG-N 3.08Å; S240-E244 WeakPolarHBondContact O-CB 3.32Å; S240-E244 PolarHBondContact O-N 2.87Å
241	A	92.4	Very high	90.8	Very high	5 Å²	5	48.8 Å²	48.8	4%	0.041	26%	0.264	C	S	.	.	H	α-helix	trans	-59.1	-26.6	172.9	0	0	0	0	0	112.9	N212 S245 T383	N212-A241 PolarHBondContact OD1-N 2.8Å; A241-S245 WeakPolarHBondContact O-CB 3.26Å; A241-S245 PolarHBondContact O-N 2.7Å; A241-T383 PolarHBondContact O-OG1 2.87Å
242	L	89.8	Confident	90.5	Very high	109 Å²	109	47.8 Å²	47.8	57%	0.571	26%	0.262	S	S	*	.	H	α-helix	trans	-81.4	-48.8	-179.6	180	60.9	0	0	0	111.7	S240 S245 N246	S240-L242 PolarHBondContact O-N 2.94Å; S240-L242 PolarHBondContact OG-N 3.41Å; L242-S245 PolarHBondContact O-N 2.88Å; L242-N246 WeakPolarHBondContact O-CB 3.49Å; L242-N246 PolarHBondContact O-N 2.77Å; L242-N246 PolarHBondContact O-ND2 3.33Å
243	A	89.4	Confident	90.3	Very high	42 Å²	42	49 Å²	49	35%	0.347	27%	0.266	S	S	.	.	H	α-helix	trans	-61.2	-46.6	177.7	0	0	0	0	0	110.8	S240 S245 N246 R247	S240-A243 PolarHBondContact O-N 2.97Å; S240-A243 PolarHBondContact OG-N 3.47Å; S240-A243 VanDerWaalsContact OG-N 3.08Å; A243-S245 PolarHBondContact O-N 3.25Å; A243-N246 WeakPolarHBondContact O-CB 3.08Å; A243-N246 PolarHBondContact O-N 2.9Å; A243-R247 PolarHBondContact O-N 2.72Å
244	E	90.8	Very high	89.8	Confident	11 Å²	11	49.1 Å²	49.1	5%	0.051	27%	0.266	C	S	.	.	H	α-helix	trans	-65.2	-40.5	178.3	-174.2	72	169.9	0	0	112.2	W239 S240 N246 R247 L248 H343 K344 T383	W239-E244 HydrophobicContact CH2-CB 4.11Å; W239-E244 HydrophobicContact CH2-CG 3.76Å; W239-E244 HydrophobicContact CZ2-CB 4.37Å; W239-E244 HydrophobicContact CZ2-CG 4.36Å; W239-E244 HydrophobicContact CZ3-CG 4.37Å; S240-E244 WeakPolarHBondContact O-CB 3.32Å; S240-E244 PolarHBondContact O-N 2.87Å; E244-N246 VanDerWaalsContact C-N 3.29Å; E244-N246 PolarHBondContact O-N 3.09Å; E244-R247 PolarHBondContact O-N 2.98Å; E244-L248 HydrophobicContact CG-CD1 4.02Å; E244-L248 HydrophobicContact CG-CG 4.43Å; E244-L248 WeakPolarHBondContact O-CB 3.47Å; E244-L248 VanDerWaalsContact O-CG 3.3Å; E244-L248 WeakPolarHBondContact O-CG 3.25Å; E244-L248 PolarHBondContact O-N 3.5Å; E244-H343 IonicContact OE1-ND1 3.65Å; E244-H343 IonicContact OE2-CE1 3.69Å; E244-H343 IonicContact OE2-CG 3.33Å; E244-H343 IonicContact OE2-ND1 3.93Å; E244-H343 PolarHBondContact OE2-ND1 2.7Å; E244-K344 HydrophobicContact CG-CB 4.31Å; E244-K344 VanDerWaalsContact OE1-CB 3.26Å; E244-K344 WeakPolarHBondContact OE1-CB 3.28Å; E244-K344 PolarHBondContact OE1-N 3Å; E244-T383 HydrophobicContact CB-CG2 3.9Å; E244-T383 HydrophobicContact CG-CG2 3.75Å
245	S	89.4	Confident	89.2	Confident	43 Å²	43	54.2 Å²	54.2	30%	0.301	29%	0.291	S	S	.	.	H	α-helix	trans	-62.7	-37.9	174.6	-173.3	0	0	0	0	111.6	A241 L242 A243 D249	A241-S245 WeakPolarHBondContact O-CB 3.26Å; A241-S245 PolarHBondContact O-N 2.7Å; L242-S245 PolarHBondContact O-N 2.88Å; A243-S245 PolarHBondContact O-N 3.25Å; S245-D249 VanDerWaalsContact O-CB 3.24Å; S245-D249 WeakPolarHBondContact O-CB 3.24Å; S245-D249 PolarHBondContact O-N 2.56Å
246	N	89.7	Confident	87.9	Confident	95 Å²	95	59.7 Å²	59.7	51%	0.508	32%	0.32	S	S	.	.	H	α-helix	trans	-68.7	-39.1	177	-68.2	-24.9	0	0	0	111.9	L242 A243 E244 D249 A250	L242-N246 WeakPolarHBondContact O-CB 3.49Å; L242-N246 PolarHBondContact O-N 2.77Å; L242-N246 PolarHBondContact O-ND2 3.33Å; A243-N246 WeakPolarHBondContact O-CB 3.08Å; A243-N246 PolarHBondContact O-N 2.9Å; E244-N246 VanDerWaalsContact C-N 3.29Å; E244-N246 PolarHBondContact O-N 3.09Å; N246-D249 WeakPolarHBondContact O-CB 3.4Å; N246-D249 PolarHBondContact O-N 2.76Å; N246-A250 WeakPolarHBondContact O-CB 3.43Å; N246-A250 PolarHBondContact O-N 2.7Å
247	R	88.3	Confident	86.3	Confident	75 Å²	75	62.7 Å²	62.7	28%	0.283	34%	0.338	S	S	.	.	H	α-helix	trans	-59.9	-55	173.9	171.8	179	168.5	155.7	6.4	111	A243 E244 D249 A250 E251 V257 D259 H343	A243-R247 PolarHBondContact O-N 2.72Å; E244-R247 PolarHBondContact O-N 2.98Å; R247-D249 PolarHBondContact O-N 3.14Å; R247-A250 WeakPolarHBondContact O-CA 3.45Å; R247-A250 WeakPolarHBondContact O-CB 3.45Å; R247-A250 PolarHBondContact O-N 3.17Å; R247-E251 HydrophobicContact CG-CG 4.45Å; R247-E251 IonicContact CZ-OE1 2.8Å; R247-E251 IonicContact NE-OE1 3.97Å; R247-E251 PolarHBondContact NE-OE1 3.44Å; R247-E251 IonicContact NH2-OE1 2.74Å; R247-E251 PolarHBondContact NH2-OE1 3.18Å; R247-E251 WeakPolarHBondContact O-CG 3.33Å; R247-E251 PolarHBondContact O-N 3.1Å; R247-V257 HydrophobicContact CG-CG1 4.32Å; R247-D259 IonicContact NH1-OD2 2.75Å; R247-H343 PolarHBondContact NH1-CD2 3.26Å; R247-H343 PolarHBondContact NH1-CE1 3.17Å; R247-H343 PolarHBondContact NH1-ND1 3.15Å; R247-H343 PolarHBondContact NH1-NE2 2.96Å
248	L	87.2	Confident	84.4	Confident	20 Å²	20	70.3 Å²	70.3	11%	0.105	38%	0.379	C	S	.	.	H	α-helix	trans	-60	-35.1	179.4	-67.7	169	0	0	0	112.3	E244 A250 E252 T383 R386	E244-L248 HydrophobicContact CG-CD1 4.02Å; E244-L248 HydrophobicContact CG-CG 4.43Å; E244-L248 WeakPolarHBondContact O-CB 3.47Å; E244-L248 VanDerWaalsContact O-CG 3.3Å; E244-L248 WeakPolarHBondContact O-CG 3.25Å; E244-L248 PolarHBondContact O-N 3.5Å; L248-A250 VanDerWaalsContact C-N 3.34Å; L248-E252 WeakPolarHBondContact O-CB 3.49Å; L248-E252 PolarHBondContact O-N 3.05Å; L248-E252 VanDerWaalsContact O-N 3.13Å; L248-T383 HydrophobicContact CD1-CG2 4.24Å; L248-R386 HydrophobicContact CD1-CG 4.3Å
249	D	87.5	Confident	82.5	Confident	73 Å²	73	72.6 Å²	72.6	39%	0.39	39%	0.391	S	S	.	.	H	α-helix	trans	-68.7	-28	173.3	-105.5	54.1	0	0	0	113.2	S245 N246 R247 K253	S245-D249 VanDerWaalsContact O-CB 3.24Å; S245-D249 WeakPolarHBondContact O-CB 3.24Å; S245-D249 PolarHBondContact O-N 2.56Å; N246-D249 WeakPolarHBondContact O-CB 3.4Å; N246-D249 PolarHBondContact O-N 2.76Å; R247-D249 PolarHBondContact O-N 3.14Å; D249-K253 WeakPolarHBondContact O-CD 3.43Å; D249-K253 WeakPolarHBondContact O-CE 3.3Å; D249-K253 WeakPolarHBondContact O-CG 3.43Å; D249-K253 PolarHBondContact O-NZ 3.13Å; D249-K253 IonicContact OD2-NZ 2.94Å; D249-K253 PolarHBondContact OD2-NZ 2.93Å
250	A	86.7	Confident	80.3	Confident	22 Å²	22	78.4 Å²	78.4	18%	0.182	43%	0.429	C	S	.	.	H	α-helix	trans	-84.1	-41.6	178.8	0	0	0	0	0	111.3	N246 R247 L248 E252 K253 G254 M255 V257	N246-A250 WeakPolarHBondContact O-CB 3.43Å; N246-A250 PolarHBondContact O-N 2.7Å; R247-A250 WeakPolarHBondContact O-CA 3.45Å; R247-A250 WeakPolarHBondContact O-CB 3.45Å; R247-A250 PolarHBondContact O-N 3.17Å; L248-A250 VanDerWaalsContact C-N 3.34Å; A250-E252 VanDerWaalsContact C-N 3.35Å; A250-E252 PolarHBondContact O-N 3.11Å; A250-K253 CarbonylContact O-C 3.56Å; A250-K253 WeakPolarHBondContact O-CA 3.31Å; A250-K253 PolarHBondContact O-N 2.83Å; A250-G254 PolarHBondContact O-N 2.86Å; A250-G254 VanDerWaalsContact O-N 3.12Å; A250-M255 HydrophobicContact CB-CB 4.44Å; A250-M255 PolarHBondContact O-N 3.19Å; A250-M255 VanDerWaalsContact O-N 3.08Å; A250-V257 HydrophobicContact CB-CG2 3.79Å
251	E	86	Confident	78.4	Confident	81 Å²	81	80.4 Å²	80.4	38%	0.379	44%	0.438	S	S	.	.	H	α-helix	trans	-56.6	-45.6	170.7	-70.2	175.1	176.4	0	0	111.2	R247 K253 G254 V257	R247-E251 HydrophobicContact CG-CG 4.45Å; R247-E251 IonicContact CZ-OE1 2.8Å; R247-E251 IonicContact NE-OE1 3.97Å; R247-E251 PolarHBondContact NE-OE1 3.44Å; R247-E251 IonicContact NH2-OE1 2.74Å; R247-E251 PolarHBondContact NH2-OE1 3.18Å; R247-E251 WeakPolarHBondContact O-CG 3.33Å; R247-E251 PolarHBondContact O-N 3.1Å; E251-K253 PolarHBondContact O-N 2.98Å; E251-G254 PolarHBondContact O-N 3.1Å; E251-V257 HydrophobicContact CG-CG2 4.22Å
252	E	84.4	Confident	76.2	Confident	153 Å²	153	84.2 Å²	84.2	72%	0.715	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.1	175.8	-173.3	175.4	178.8	0	0	112.9	L248 A250 G254	L248-E252 WeakPolarHBondContact O-CB 3.49Å; L248-E252 PolarHBondContact O-N 3.05Å; L248-E252 VanDerWaalsContact O-N 3.13Å; A250-E252 VanDerWaalsContact C-N 3.35Å; A250-E252 PolarHBondContact O-N 3.11Å; E252-G254 VanDerWaalsContact C-N 3.33Å
253	K	86.8	Confident	73.9	Confident	124 Å²	124	85 Å²	85	54%	0.539	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-0.7	175.9	-67.6	174.6	-165	95.7	0	113.2	D249 A250 E251 M255	D249-K253 WeakPolarHBondContact O-CD 3.43Å; D249-K253 WeakPolarHBondContact O-CE 3.3Å; D249-K253 WeakPolarHBondContact O-CG 3.43Å; D249-K253 PolarHBondContact O-NZ 3.13Å; D249-K253 IonicContact OD2-NZ 2.94Å; D249-K253 PolarHBondContact OD2-NZ 2.93Å; A250-K253 CarbonylContact O-C 3.56Å; A250-K253 WeakPolarHBondContact O-CA 3.31Å; A250-K253 PolarHBondContact O-N 2.83Å; E251-K253 PolarHBondContact O-N 2.98Å; K253-M255 VanDerWaalsContact C-N 3.29Å; K253-M255 HydrophobicContact CB-CG 4.34Å; K253-M255 HydrophobicContact CB-SD 4.49Å; K253-M255 PolarHBondContact O-N 3.35Å
254	G	78.7	Confident	71.5	Confident	70 Å²	70	89.7 Å²	89.7	72%	0.722	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	29.8	-178.3	0	0	0	0	0	113.7	A250 E251 E252	A250-G254 PolarHBondContact O-N 2.86Å; A250-G254 VanDerWaalsContact O-N 3.12Å; E251-G254 PolarHBondContact O-N 3.1Å; E252-G254 VanDerWaalsContact C-N 3.33Å
255	M	78.9	Confident	68.9	Low	121 Å²	121	94.6 Å²	94.6	60%	0.596	52%	0.523	S	S	*	.			trans	-90.6	137.4	173.3	-66.5	178.1	173.5	0	0	109.4	A250 K253 V257	A250-M255 HydrophobicContact CB-CB 4.44Å; A250-M255 PolarHBondContact O-N 3.19Å; A250-M255 VanDerWaalsContact O-N 3.08Å; K253-M255 VanDerWaalsContact C-N 3.29Å; K253-M255 HydrophobicContact CB-CG 4.34Å; K253-M255 HydrophobicContact CB-SD 4.49Å; K253-M255 PolarHBondContact O-N 3.35Å; M255-V257 PolarHBondContact O-N 2.87Å
256	E	64.5	Low	66.3	Low	202 Å²	202	95.3 Å²	95.3	94%	0.944	52%	0.524	S	S	*	.			trans	-61.6	129.5	167.3	-70.4	178.7	166.3	0	0	108.9
257	V	61.7	Low	63.9	Low	63 Å²	63	96.7 Å²	96.7	38%	0.382	54%	0.538	S	S	.	.			trans	-103.1	107.6	178.1	-171.4	0	0	0	0	107	R247 A250 E251 M255 D259	R247-V257 HydrophobicContact CG-CG1 4.32Å; A250-V257 HydrophobicContact CB-CG2 3.79Å; E251-V257 HydrophobicContact CG-CG2 4.22Å; M255-V257 PolarHBondContact O-N 2.87Å; V257-D259 PolarHBondContact O-N 3.19Å
258	D	55.1	Low	61.7	Low	162 Å²	162	101.7 Å²	101.7	87%	0.866	57%	0.565	S	S	*	*			trans	-61	107.8	161.9	-86.2	-38.5	0	0	0	107.5	P260	D258-P260 VanDerWaalsContact O-CD 3.26Å; D258-P260 WeakPolarHBondContact O-CD 3.45Å
259	D	55.3	Low	59.5	Low	49 Å²	49	104.8 Å²	104.8	26%	0.262	59%	0.593	S	S	.	*			trans	-84.3	106.8	170	-176.5	-9.9	0	0	0	108.9	R247 V257 E261 S262 H343	R247-D259 IonicContact NH1-OD2 2.75Å; V257-D259 PolarHBondContact O-N 3.19Å; D259-E261 PolarHBondContact O-N 3.4Å; D259-E261 PolarHBondContact OD1-N 3.47Å; D259-S262 WeakPolarHBondContact O-CB 3.42Å; D259-S262 PolarHBondContact O-N 3.4Å; D259-S262 PolarHBondContact O-OG 3.32Å; D259-H343 IonicContact OD2-NE2 3.68Å
260	P	49.8	Very low	56.9	Low	121 Å²	121	108.6 Å²	108.6	79%	0.786	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-10.2	-174.7	31.7	-37.2	0	0	0	113.8	D258	D258-P260 VanDerWaalsContact O-CD 3.26Å; D258-P260 WeakPolarHBondContact O-CD 3.45Å
261	E	53.1	Low	54.3	Low	47 Å²	47	111.3 Å²	111.3	22%	0.22	64%	0.644	C	S	.	*	T	Hydrogen-bonded Turn	trans	-94.2	-11.4	174.4	-59	-153.3	148	0	0	113.2	R222 D259 V263 R340 L341	R222-E261 IonicContact CZ-OE1 2.77Å; R222-E261 IonicContact NH1-OE1 2.7Å; R222-E261 PolarHBondContact NH1-OE1 3.19Å; R222-E261 IonicContact NH1-OE2 3.62Å; R222-E261 IonicContact NH2-OE1 3.58Å; R222-E261 PolarHBondContact NH2-OE1 3.27Å; D259-E261 PolarHBondContact O-N 3.4Å; D259-E261 PolarHBondContact OD1-N 3.47Å; E261-V263 VanDerWaalsContact C-N 3.26Å; E261-V263 PolarHBondContact O-N 3.38Å; E261-R340 WeakPolarHBondContact OE2-CA 3.28Å; E261-L341 PolarHBondContact OE2-N 3.12Å
262	S	47.4	Very low	51.5	Low	86 Å²	86	112.1 Å²	112.1	60%	0.601	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-11.7	-175.4	66.8	0	0	0	0	115.7	D259	D259-S262 WeakPolarHBondContact O-CB 3.42Å; D259-S262 PolarHBondContact O-N 3.4Å; D259-S262 PolarHBondContact O-OG 3.32Å
263	V	40.2	Very low	49.3	Very low	126 Å²	126	110.1 Å²	110.1	76%	0.764	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-13.7	-169.8	-171.8	0	0	0	0	113.5	E261	E261-V263 VanDerWaalsContact C-N 3.26Å; E261-V263 PolarHBondContact O-N 3.38Å
264	E	40.3	Very low	46.4	Very low	139 Å²	139	112.4 Å²	112.4	65%	0.65	67%	0.671	S	S	*	*			trans	-133.8	86.7	-179.4	-72.3	-174	175.1	0	0	111.9	R219	R219-E264 PolarHBondContact NH1-O 3.17Å; R219-E264 IonicContact NH1-OE2 3.63Å; R219-E264 PolarHBondContact NH2-O 3.46Å
265	S	35.3	Very low	44.1	Very low	114 Å²	114	114.5 Å²	114.5	80%	0.797	67%	0.674	S	S	*	*			trans	-59.8	129.5	170.5	48.2	0	0	0	0	111.7	P267	S265-P267 WeakPolarHBondContact O-CD 3.4Å
266	D	35.3	Very low	41.6	Very low	58 Å²	58	115 Å²	115	31%	0.31	68%	0.684	S	S	.	*			trans	-66.5	123	168.9	-91.8	-70.4	0	0	0	109.1	R219 K223 E268	R219-D266 IonicContact CZ-OD2 3.06Å; R219-D266 IonicContact NE-OD2 3.19Å; R219-D266 IonicContact NH2-OD1 3.54Å; R219-D266 IonicContact NH2-OD2 3.84Å; R219-D266 PolarHBondContact NH2-OD2 3.01Å; K223-D266 IonicContact NZ-OD1 2.8Å; D266-E268 PolarHBondContact O-N 3.44Å
267	P	39.2	Very low	39.8	Very low	125 Å²	125	112.8 Å²	112.8	81%	0.812	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-3.6	-178.5	30.1	-35.5	0	0	0	114.2	S265	S265-P267 WeakPolarHBondContact O-CD 3.4Å
268	E	42.2	Very low	38.2	Very low	179 Å²	179	117.2 Å²	117.2	84%	0.836	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	14.6	-177.6	-60.6	-166.2	146.7	0	0	113.5	D266	D266-E268 PolarHBondContact O-N 3.44Å
269	A	40.8	Very low	36.7	Very low	85 Å²	85	116.8 Å²	116.8	70%	0.702	70%	0.697	S	S	*	*			trans	-125.9	40.2	-177.4	0	0	0	0	0	113.5
270	D	33.8	Very low	35.3	Very low	153 Å²	153	123.2 Å²	123.2	82%	0.818	73%	0.726	S	S	*	*			trans	-129.1	116.3	160.3	-163.5	1.4	0	0	0	110.3
271	G	30.6	Very low	34.1	Very low	79 Å²	79	129.5 Å²	129.5	81%	0.814	73%	0.734	S	S	*	*			trans	-161.1	22.4	-158.7	0	0	0	0	0	114.8
272	S	28.7	Very low	32.8	Very low	98 Å²	98	131.5 Å²	131.5	69%	0.685	76%	0.758	S	S	*	*			trans	-156.9	128.4	160.9	63.6	0	0	0	0	111.8
273	P	37.6	Very low	31.7	Very low	112 Å²	112	133 Å²	133	73%	0.727	77%	0.768	S	S	*	*			trans	-80.7	146.6	177.7	34.1	-34.2	0	0	0	111.1
274	H	26.1	Very low	30.9	Very low	172 Å²	172	137.2 Å²	137.2	80%	0.796	78%	0.776	S	S	*	*				-175.9	102	122.3	-97.3	-59.2	0	0	0	111.6
275	S	29.8	Very low	30.1	Very low	113 Å²	113	134 Å²	134	79%	0.79	78%	0.781	S	S	*	*			trans	-68.9	125.4	158.5	47.1	0	0	0	0	110
276	V	26.4	Very low	29.6	Very low	133 Å²	133	137.4 Å²	137.4	81%	0.806	78%	0.784	S	S	*	*			trans	-129.5	82.5	161.3	-82.3	0	0	0	0	108.6
277	D	27	Very low	29	Very low	154 Å²	154	142.8 Å²	142.8	82%	0.824	81%	0.808	S	S	*	*			trans	-84.8	106.8	-179.2	-165.8	1.7	0	0	0	110
278	L	27.5	Very low	28.3	Very low	156 Å²	156	146.7 Å²	146.7	82%	0.817	81%	0.812	S	S	*	*			trans	-152.3	90.3	178.2	-78.4	-177.5	0	0	0	112.5
279	N	23.9	Very low	27.4	Very low	154 Å²	154	143.2 Å²	143.2	82%	0.824	80%	0.803	S	S	*	*				-177.5	111.3	112.3	-109.8	-37	0	0	0	112.9
280	E	27	Very low	26.6	Very low	184 Å²	184	150.9 Å²	150.9	86%	0.86	81%	0.813	S	S	*	*			trans	-74.8	136	149.5	-70.1	-169.5	125.3	0	0	110.2
281	R	24.3	Very low	26.1	Very low	253 Å²	253	152.4 Å²	152.4	96%	0.955	82%	0.816	S	S	*	*			trans	-153.2	117.8	131.4	-127.7	172.3	-176.7	173.2	2	113.9
282	A	25.5	Very low	25.8	Very low	89 Å²	89	152.3 Å²	152.3	74%	0.736	81%	0.814	S	S	*	*			trans	-69.6	161.2	-178.1	0	0	0	0	0	114.6
283	S	23.9	Very low	25.5	Very low	116 Å²	116	155.5 Å²	155.5	81%	0.811	82%	0.824	S	S	*	*			trans	-166.4	103.9	133.9	-82.9	0	0	0	0	114.1
284	K	24.6	Very low	25	Very low	215 Å²	215	158.8 Å²	158.8	94%	0.935	83%	0.829	S	S	*	*			trans	43.3	135.2	136.1	-59.1	-177.6	175.8	-174.5	0	121.8
285	G	22.6	Very low	24.9	Very low	72 Å²	72	156.5 Å²	156.5	74%	0.742	83%	0.832	S	S	*	*			trans	162.8	87.4	146.6	0	0	0	0	0	117.5
286	E	24.5	Very low	24.6	Very low	185 Å²	185	154.6 Å²	154.6	86%	0.864	83%	0.831	S	S	*	*			trans	40.8	108.6	145.5	-66.2	165.6	-173.5	0	0	119.5
287	E	23.2	Very low	24.6	Very low	172 Å²	172	155.5 Å²	155.5	80%	0.804	84%	0.836	S	S	*	*				77.3	108.5	80.9	-166.5	-171.9	-108.7	0	0	115.1
288	K	23.9	Very low	24.5	Very low	206 Å²	206	156.2 Å²	156.2	90%	0.896	84%	0.835	S	S	*	*			trans	-162.2	130.8	133.1	-118.5	167.2	-172	166.1	0	115.9
289	V	23.6	Very low	24.5	Very low	107 Å²	107	156.1 Å²	156.1	65%	0.648	83%	0.83	S	S	*	*			trans	-71.9	148	176	173.4	0	0	0	0	112.3	E291	V289-E291 HydrophobicContact CG1-CG 4.14Å
290	R	24.1	Very low	24.5	Very low	245 Å²	245	156.9 Å²	156.9	93%	0.925	83%	0.829	S	S	*	*			trans	-156.6	126.3	137.9	-113.8	169.7	-173.5	-174.3	-0.6	112.6
291	E	23.6	Very low	24.3	Very low	186 Å²	186	156.5 Å²	156.5	87%	0.869	83%	0.827	S	S	*	*			trans	-92.3	174	-179.2	-57.9	161.1	131.7	0	0	112	V289	V289-E291 HydrophobicContact CG1-CG 4.14Å
292	G	23.5	Very low	24.2	Very low	76 Å²	76	152.4 Å²	152.4	78%	0.784	82%	0.824	S	S	*	*			trans	114.2	127	171.1	0	0	0	0	0	112.4
293	D	24.2	Very low	24.1	Very low	166 Å²	166	154.6 Å²	154.6	89%	0.888	82%	0.823	S	S	*	*			cis	-155.3	157.5	10.9	-156.2	1.4	0	0	0	111
294	E	25.4	Very low	24	Very low	181 Å²	181	155.5 Å²	155.5	85%	0.846	82%	0.824	S	S	*	*			trans	-102.6	148.5	-176.7	-74.3	-172.1	145.9	0	0	113.8
295	S	25.4	Very low	23.8	Very low	123 Å²	123	151.6 Å²	151.6	86%	0.86	81%	0.813	S	S	*	*			trans	177.4	121.2	142.8	23.1	0	0	0	0	107.9
296	G	23.6	Very low	23.8	Very low	73 Å²	73	153.6 Å²	153.6	75%	0.753	81%	0.811	S	S	*	*				86.6	113.2	72.6	0	0	0	0	0	108.4
297	V	25.8	Very low	23.8	Very low	152 Å²	152	151.8 Å²	151.8	92%	0.921	81%	0.807	S	S	*	*				-161.4	148.4	69.4	158.1	0	0	0	0	110.9
298	E	24.6	Very low	24.1	Very low	169 Å²	169	152 Å²	152	79%	0.79	81%	0.808	S	S	*	*			trans	-72.9	168.9	174.3	-55.9	159.7	133.7	0	0	110.7
299	E	26.6	Very low	24.2	Very low	155 Å²	155	149.9 Å²	149.9	72%	0.724	80%	0.801	S	S	*	*			cis	-156.6	-177.6	36.9	-62.2	178.7	154.3	0	0	106.4
300	Q	24.3	Very low	24.3	Very low	170 Å²	170	152.9 Å²	152.9	79%	0.794	81%	0.813	S	S	*	*			cis	-161.9	159	24.9	-148.2	165.3	69.6	0	0	109.2
301	Q	23.8	Very low	24.4	Very low	175 Å²	175	151.8 Å²	151.8	82%	0.818	81%	0.81	S	S	*	*			trans	-87.5	158	-176.7	-65.7	167.6	-13.8	0	0	112.7
302	D	22.3	Very low	24.4	Very low	168 Å²	168	151.4 Å²	151.4	90%	0.898	81%	0.808	S	S	*	*			trans	-150.5	141.5	135.4	-114.3	-25.5	0	0	0	110.6
303	N	22.1	Very low	24.4	Very low	134 Å²	134	153.3 Å²	153.3	72%	0.717	80%	0.804	S	S	*	*			trans	-142.4	118	-161.8	-142.6	13.3	0	0	0	109.1
304	V	21.9	Very low	24.4	Very low	136 Å²	136	151 Å²	151	82%	0.824	80%	0.8	S	S	*	*			trans	-145.1	136.3	174.6	-176.5	0	0	0	0	112.3
305	N	20.6	Very low	24.4	Very low	133 Å²	133	146.2 Å²	146.2	71%	0.711	79%	0.787	S	S	*	*			trans	-107.1	177.7	-179.4	-47.1	-7.2	0	0	0	109.5
306	V	23.9	Very low	24.5	Very low	114 Å²	114	148 Å²	148	69%	0.691	78%	0.781	S	S	*	*			cis	-163.5	165.6	17.4	73.9	0	0	0	0	110.6
307	D	23.4	Very low	24.7	Very low	147 Å²	147	153 Å²	153	79%	0.786	79%	0.785	S	S	*	*			trans	79.4	155.1	152.4	-67.7	-25.5	0	0	0	124.5
308	E	29.7	Very low	24.8	Very low	175 Å²	175	154.4 Å²	154.4	82%	0.818	78%	0.781	S	S	*	*			trans	-82.3	161.3	-177.7	-52.2	-177.9	136.9	0	0	113.3
309	E	25.5	Very low	24.9	Very low	163 Å²	163	156 Å²	156	76%	0.762	79%	0.789	S	S	*	*				152.4	123.7	123.8	-84.1	-171.6	166.9	0	0	109.8
310	D	25.3	Very low	24.9	Very low	169 Å²	169	156.5 Å²	156.5	90%	0.904	79%	0.791	S	S	*	*				-165.5	131.4	123.9	-109.5	-23.9	0	0	0	111.2
311	W	26.4	Very low	24.9	Very low	223 Å²	223	156.7 Å²	156.7	85%	0.845	80%	0.798	S	S	*	*			trans	-101.3	155.2	179.7	-83	74.4	0	0	0	111.3
312	Q	23.9	Very low	25	Very low	177 Å²	177	156.4 Å²	156.4	83%	0.827	80%	0.796	S	S	*	*			trans	145.5	114	145.1	-80.1	166.7	-8.4	0	0	111.4
313	T	23.9	Very low	25.2	Very low	116 Å²	116	153.2 Å²	153.2	71%	0.712	79%	0.793	S	S	*	*				53.8	137.6	82.6	61.1	0	0	0	0	114.2
314	C	24.1	Very low	25.5	Very low	118 Å²	118	155.6 Å²	155.6	80%	0.797	80%	0.8	S	S	*	*			cis	-165.6	-176.4	4.7	-111.7	0	0	0	0	107.8
315	S	25.1	Very low	25.7	Very low	81 Å²	81	152.7 Å²	152.7	57%	0.566	80%	0.798	S	S	*	*			cis	-163.8	-174.2	-1.9	32.5	0	0	0	0	109.4
316	E	28.7	Very low	26.1	Very low	159 Å²	159	155.2 Å²	155.2	74%	0.743	81%	0.805	S	S	*	*			trans	74	137.4	162.3	-69.5	131.5	-121	0	0	118.4
317	E	26.5	Very low	26.2	Very low	179 Å²	179	157.9 Å²	157.9	84%	0.836	82%	0.816	S	S	*	*			cis	-149.2	146.6	7.6	-118	160.2	-159.8	0	0	110.8
318	E	27.7	Very low	26.5	Very low	181 Å²	181	155.6 Å²	155.6	85%	0.846	82%	0.817	S	S	*	*			trans	-112.8	139.4	170.5	-67	177.8	143.7	0	0	108.8
319	E	26.1	Very low	26.4	Very low	204 Å²	204	150.7 Å²	150.7	95%	0.953	81%	0.813	S	S	*	*			trans	-106.5	111.4	166.9	-78.6	-169.5	151	0	0	109.6
320	E	26.7	Very low	26.6	Very low	165 Å²	165	149.6 Å²	149.6	77%	0.771	82%	0.818	S	S	*	*			trans	-82.5	143.1	169.8	-61.4	173.1	140.5	0	0	110.2
321	D	24.5	Very low	27.1	Very low	173 Å²	173	147.5 Å²	147.5	93%	0.925	82%	0.817	S	S	*	*			trans	-129.9	89.9	164.5	-120.4	-17.6	0	0	0	107.8
322	E	26.9	Very low	27.5	Very low	169 Å²	169	139.9 Å²	139.9	79%	0.79	81%	0.808	S	S	*	*			trans	-78.5	137.5	173.8	-74.1	-164.2	148.4	0	0	111.7
323	A	26.8	Very low	28.4	Very low	101 Å²	101	140.6 Å²	140.6	84%	0.835	81%	0.811	S	S	*	*			trans	-146.4	87	160.4	0	0	0	0	0	110.3
324	E	28.7	Very low	30.1	Very low	184 Å²	184	140.4 Å²	140.4	86%	0.86	82%	0.815	S	S	*	*			trans	-66.8	148.2	169.7	-72.9	-159	139.9	0	0	112.2
325	G	25.4	Very low	32.5	Very low	75 Å²	75	137.2 Å²	137.2	77%	0.773	79%	0.787	S	S	*	*			trans	-171.6	75.1	177.6	0	0	0	0	0	111.1	N327	G325-N327 PolarHBondContact O-N 3.42Å
326	E	28.7	Very low	35.2	Very low	187 Å²	187	139.5 Å²	139.5	87%	0.874	79%	0.789	S	S	*	*			trans	-55.1	132.4	179.9	-60	-177	125.9	0	0	112.6
327	N	26.3	Very low	38	Very low	169 Å²	169	132 Å²	132	90%	0.904	75%	0.754	S	S	*	*			trans	-153.4	140.4	137.1	-128.9	-34.1	0	0	0	112.3	G325	G325-N327 PolarHBondContact O-N 3.42Å
328	A	30.6	Very low	40.9	Very low	99 Å²	99	125 Å²	125	82%	0.818	72%	0.724	S	S	*	*			trans	-91.7	152.3	-162.7	0	0	0	0	0	114.3
329	G	27.1	Very low	43.8	Very low	72 Å²	72	116.8 Å²	116.8	74%	0.742	69%	0.687	S	S	*	*			trans	109.4	97.4	149	0	0	0	0	0	117
330	T	28.9	Very low	46.9	Very low	140 Å²	140	111.8 Å²	111.8	86%	0.859	66%	0.66	S	S	*	*				-169.3	129.3	111	-71.4	0	0	0	0	108.8	G332	T330-G332 PolarHBondContact O-N 2.83Å
331	S	37.2	Very low	49.9	Very low	126 Å²	126	105.3 Å²	105.3	88%	0.881	63%	0.63	S	S	*	*			trans	-72.7	108.3	175.3	52.8	0	0	0	0	111.1
332	G	34.3	Very low	53	Low	63 Å²	63	97.3 Å²	97.3	65%	0.649	59%	0.587	S	S	*	*			trans	-139.5	128.8	164.7	0	0	0	0	0	108.9	T330 S334	T330-G332 PolarHBondContact O-N 2.83Å; G332-S334 PolarHBondContact O-N 2.85Å
333	E	43.2	Very low	56.1	Low	191 Å²	191	91.5 Å²	91.5	89%	0.893	56%	0.56	S	S	*	*			trans	-58	121.3	173.8	-67.4	170.7	155	0	0	108.9	F335	E333-F335 PolarHBondContact O-N 3.03Å; E333-F335 VanDerWaalsContact O-N 3.1Å
334	S	58.5	Low	59.2	Low	113 Å²	113	88 Å²	88	79%	0.79	53%	0.526	S	S	*	.			trans	-68.7	108	-178.9	50.9	0	0	0	0	109.5	G332 H336	G332-S334 PolarHBondContact O-N 2.85Å; S334-H336 PolarHBondContact O-N 2.74Å
335	F	74	Confident	62.1	Low	50 Å²	50	83.5 Å²	83.5	22%	0.219	51%	0.508	C	S	.	.			trans	-65.5	103.2	175.3	-175.8	-83.5	0	0	0	109.7	R235 V237 E333 N337 M350	R235-F335 HydrophobicContact CB-CD1 3.72Å; R235-F335 HydrophobicContact CB-CE1 3.68Å; R235-F335 HydrophobicContact CB-CG 4.2Å; R235-F335 HydrophobicContact CB-CZ 4.1Å; R235-F335 HydrophobicContact CG-CB 4.04Å; R235-F335 HydrophobicContact CG-CD1 3.68Å; R235-F335 HydrophobicContact CG-CD2 4.21Å; R235-F335 HydrophobicContact CG-CE1 4.15Å; R235-F335 HydrophobicContact CG-CG 3.71Å; V237-F335 HydrophobicContact CG2-CZ 4.26Å; E333-F335 PolarHBondContact O-N 3.03Å; E333-F335 VanDerWaalsContact O-N 3.1Å; F335-N337 WeakPolarHBondContact CD1-OD1 3.45Å; F335-N337 VanDerWaalsContact CE1-OD1 3.28Å; F335-N337 WeakPolarHBondContact CE1-OD1 3.5Å; F335-M350 HydrophobicContact CE2-CE 3.44Å; F335-M350 VanDerWaalsContact CE2-CE 3.44Å; F335-M350 HydrophobicContact CZ-CE 3.41Å; F335-M350 VanDerWaalsContact CZ-CE 3.41Å
336	H	82.1	Confident	65.3	Low	129 Å²	129	82.2 Å²	82.2	60%	0.597	48%	0.482	S	S	*	.			trans	-80.6	130.3	177	175.2	-96.3	0	0	0	110.9	E230 S334 S338	E230-H336 IonicContact OE1-CD2 3.61Å; E230-H336 PolarHBondContact OE1-CD2 3.13Å; E230-H336 IonicContact OE1-CG 2.75Å; S334-H336 PolarHBondContact O-N 2.74Å; H336-S338 PolarHBondContact O-N 2.8Å
337	N	87	Confident	68.3	Low	3 Å²	3	73.3 Å²	73.3	2%	0.016	44%	0.44	C	S	.	.			trans	-84	105.5	-177.7	-72.8	-33.9	0	0	0	110.9	A226 E230 V234 A236 F335	A226-N337 HydrophobicContact CB-CB 4.13Å; A226-N337 WeakPolarHBondContact CB-O 3.42Å; A226-N337 PolarHBondContact O-ND2 3.37Å; E230-N337 WeakPolarHBondContact CA-ND2 3.43Å; E230-N337 PolarHBondContact N-ND2 3.19Å; V234-N337 PolarHBondContact O-ND2 3.15Å; V234-N337 PolarHBondContact O-OD1 2.93Å; A236-N337 PolarHBondContact N-OD1 2.8Å; A236-N337 PolarHBondContact O-OD1 3.33Å; F335-N337 WeakPolarHBondContact CD1-OD1 3.45Å; F335-N337 VanDerWaalsContact CE1-OD1 3.28Å; F335-N337 WeakPolarHBondContact CE1-OD1 3.5Å
338	S	87.7	Confident	71.4	Confident	30 Å²	30	65.3 Å²	65.3	21%	0.21	40%	0.397	C	S	.	.			trans	-71.7	139.1	177	65.2	0	0	0	0	112.8	F238 H336	F238-S338 WeakPolarHBondContact CD2-O 3.22Å; H336-S338 PolarHBondContact O-N 2.8Å
339	S	88.4	Confident	74.2	Confident	10 Å²	10	66.7 Å²	66.7	7%	0.07	39%	0.387	C	S	.	.			trans	-80	-15.1	177.3	73.4	0	0	0	0	115.2	R222	R222-S339 WeakPolarHBondContact CB-O 3.44Å; R222-S339 WeakPolarHBondContact CD-O 3.38Å; R222-S339 PolarHBondContact NH1-O 3.08Å
340	R	91.6	Very high	77.2	Confident	99 Å²	99	65.9 Å²	65.9	37%	0.374	36%	0.364	S	S	.	.	S	Bend	trans	-66.4	155.8	-178	75.3	-163.1	-169.3	99.2	-8.3	112.9	E261 L342 E346	E261-R340 WeakPolarHBondContact OE2-CA 3.28Å; R340-L342 HydrophobicContact CG-CD2 4.04Å; R340-E346 IonicContact CZ-OE1 3.63Å; R340-E346 IonicContact CZ-OE2 3.77Å; R340-E346 IonicContact NH1-OE1 3.55Å; R340-E346 PolarHBondContact NH1-OE1 3.46Å; R340-E346 IonicContact NH1-OE2 3.28Å; R340-E346 PolarHBondContact NH1-OE2 2.63Å; R340-E346 VanDerWaalsContact NH2-CD 3.33Å; R340-E346 IonicContact NH2-OE1 2.88Å; R340-E346 PolarHBondContact NH2-OE1 3.33Å; R340-E346 IonicContact NH2-OE2 3.45Å
341	L	90.3	Very high	80.1	Confident	29 Å²	29	59.3 Å²	59.3	15%	0.152	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-77.9	124.6	167.7	-60.4	-173.7	0	0	0	108.5	A214 F238 E261	A214-L341 HydrophobicContact CB-CD2 3.46Å; A214-L341 VanDerWaalsContact CB-CD2 3.46Å; F238-L341 HydrophobicContact CB-CD2 4.19Å; E261-L341 PolarHBondContact OE2-N 3.12Å
342	L	90.4	Very high	82.6	Confident	5 Å²	5	57.5 Å²	57.5	3%	0.026	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-76.7	143.6	173.5	-63.6	-164.8	0	0	0	111.4	V237 F238 W239 R340 E346 L347 M350	V237-L342 HydrophobicContact CG1-CD1 3.39Å; V237-L342 HydrophobicContact CG1-CG 3.82Å; F238-L342 PolarHBondContact O-N 3.36Å; W239-L342 WeakPolarHBondContact CZ3-O 3.22Å; R340-L342 HydrophobicContact CG-CD2 4.04Å; L342-E346 WeakPolarHBondContact CA-OE2 3.15Å; L342-E346 HydrophobicContact CB-CB 4.38Å; L342-E346 HydrophobicContact CD2-CB 4.43Å; L342-L347 HydrophobicContact CB-CB 4.49Å; L342-L347 HydrophobicContact CD1-CD1 4.32Å; L342-M350 HydrophobicContact CD1-CB 4.46Å; L342-M350 HydrophobicContact CD1-CG 3.86Å
343	H	91.9	Very high	85.2	Confident	46 Å²	46	57.6 Å²	57.6	21%	0.213	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-81.7	166.2	164.7	-65.7	-56.6	0	0	0	111.8	E244 R247 D259 D345 E346 L347	E244-H343 IonicContact OE1-ND1 3.65Å; E244-H343 IonicContact OE2-CE1 3.69Å; E244-H343 IonicContact OE2-CG 3.33Å; E244-H343 IonicContact OE2-ND1 3.93Å; E244-H343 PolarHBondContact OE2-ND1 2.7Å; R247-H343 PolarHBondContact NH1-CD2 3.26Å; R247-H343 PolarHBondContact NH1-CE1 3.17Å; R247-H343 PolarHBondContact NH1-ND1 3.15Å; R247-H343 PolarHBondContact NH1-NE2 2.96Å; D259-H343 IonicContact OD2-NE2 3.68Å; H343-D345 VanDerWaalsContact C-N 3.28Å; H343-D345 PolarHBondContact O-N 3.27Å; H343-E346 HydrophobicContact CB-CG 4.33Å; H343-E346 IonicContact CD2-OE2 2.75Å; H343-E346 PolarHBondContact N-OE2 2.99Å; H343-E346 PolarHBondContact O-N 3.22Å; H343-L347 WeakPolarHBondContact O-CB 3.46Å; H343-L347 PolarHBondContact O-N 2.91Å
344	K	90.3	Very high	87.2	Confident	27 Å²	27	49.2 Å²	49.2	12%	0.117	26%	0.257	C	S	.	.	H	α-helix	trans	-53	-46.9	-174.2	-172.7	-155.4	131.9	-119.9	0	111.9	W239 E244 L347 L348 I384	W239-K344 HydrophobicContact CH2-CB 4.2Å; E244-K344 HydrophobicContact CG-CB 4.31Å; E244-K344 VanDerWaalsContact OE1-CB 3.26Å; E244-K344 WeakPolarHBondContact OE1-CB 3.28Å; E244-K344 PolarHBondContact OE1-N 3Å; K344-L347 PolarHBondContact O-N 2.7Å; K344-L348 HydrophobicContact CG-CD1 4.44Å; K344-L348 VanDerWaalsContact O-CG 3.3Å; K344-L348 WeakPolarHBondContact O-CG 3.14Å; K344-L348 PolarHBondContact O-N 3.41Å; K344-I384 WeakPolarHBondContact CE-O 3.45Å; K344-I384 HydrophobicContact CG-CG1 4.42Å
345	D	90.8	Very high	88.4	Confident	91 Å²	91	44.1 Å²	44.1	49%	0.487	22%	0.221	S	C	.	.	H	α-helix	trans	-74.1	-40.2	-172.4	-59.1	-34.6	0	0	0	110.7	H343 L347 L348 E349	H343-D345 VanDerWaalsContact C-N 3.28Å; H343-D345 PolarHBondContact O-N 3.27Å; D345-L347 VanDerWaalsContact C-N 3.34Å; D345-L347 PolarHBondContact O-N 3.14Å; D345-L348 PolarHBondContact O-N 3.44Å; D345-L348 VanDerWaalsContact O-N 3.11Å; D345-E349 WeakPolarHBondContact O-CG 3.29Å; D345-E349 PolarHBondContact O-N 3.38Å
346	E	91.6	Very high	88.6	Confident	48 Å²	48	48.7 Å²	48.7	22%	0.224	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-40.8	172.2	-51.8	-176.2	121.7	0	0	112.4	R340 L342 H343 L348 E349 M350	R340-E346 IonicContact CZ-OE1 3.63Å; R340-E346 IonicContact CZ-OE2 3.77Å; R340-E346 IonicContact NH1-OE1 3.55Å; R340-E346 PolarHBondContact NH1-OE1 3.46Å; R340-E346 IonicContact NH1-OE2 3.28Å; R340-E346 PolarHBondContact NH1-OE2 2.63Å; R340-E346 VanDerWaalsContact NH2-CD 3.33Å; R340-E346 IonicContact NH2-OE1 2.88Å; R340-E346 PolarHBondContact NH2-OE1 3.33Å; R340-E346 IonicContact NH2-OE2 3.45Å; L342-E346 WeakPolarHBondContact CA-OE2 3.15Å; L342-E346 HydrophobicContact CB-CB 4.38Å; L342-E346 HydrophobicContact CD2-CB 4.43Å; H343-E346 HydrophobicContact CB-CG 4.33Å; H343-E346 IonicContact CD2-OE2 2.75Å; H343-E346 PolarHBondContact N-OE2 2.99Å; H343-E346 PolarHBondContact O-N 3.22Å; E346-L348 VanDerWaalsContact C-N 3.29Å; E346-L348 PolarHBondContact O-N 2.95Å; E346-E349 PolarHBondContact O-N 3Å; E346-M350 WeakPolarHBondContact O-CB 3.19Å; E346-M350 VanDerWaalsContact O-CG 3.25Å; E346-M350 WeakPolarHBondContact O-CG 3.46Å; E346-M350 PolarHBondContact O-N 3.26Å
347	L	91.6	Very high	88.3	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-39.9	175.7	-178.1	68.2	0	0	0	111.2	L210 V237 W239 L342 H343 K344 D345 F351 I384	L210-L347 HydrophobicContact CD1-CD1 3.75Å; V237-L347 HydrophobicContact CG1-CD1 3.91Å; W239-L347 HydrophobicContact CD2-CD2 3.89Å; W239-L347 HydrophobicContact CE3-CB 4.35Å; W239-L347 HydrophobicContact CE3-CD2 3.71Å; W239-L347 HydrophobicContact CE3-CG 4.48Å; W239-L347 HydrophobicContact CH2-CD2 4.07Å; W239-L347 HydrophobicContact CZ2-CD2 4.25Å; W239-L347 HydrophobicContact CZ3-CB 4.11Å; W239-L347 HydrophobicContact CZ3-CD2 3.79Å; L342-L347 HydrophobicContact CB-CB 4.49Å; L342-L347 HydrophobicContact CD1-CD1 4.32Å; H343-L347 WeakPolarHBondContact O-CB 3.46Å; H343-L347 PolarHBondContact O-N 2.91Å; K344-L347 PolarHBondContact O-N 2.7Å; D345-L347 VanDerWaalsContact C-N 3.34Å; D345-L347 PolarHBondContact O-N 3.14Å; L347-F351 HydrophobicContact CD1-CD1 4.31Å; L347-F351 HydrophobicContact CD1-CE1 3.45Å; L347-F351 VanDerWaalsContact CD1-CE1 3.45Å; L347-F351 HydrophobicContact CD1-CZ 3.62Å; L347-F351 HydrophobicContact CD2-CE2 4.32Å; L347-F351 HydrophobicContact CD2-CZ 3.88Å; L347-F351 HydrophobicContact CG-CE1 3.8Å; L347-F351 HydrophobicContact CG-CE2 4.01Å; L347-F351 HydrophobicContact CG-CZ 3.53Å; L347-F351 VanDerWaalsContact O-CD1 3.22Å; L347-F351 WeakPolarHBondContact O-CD1 3.27Å; L347-F351 WeakPolarHBondContact O-CG 3.22Å; L347-F351 PolarHBondContact O-N 2.92Å; L347-I384 HydrophobicContact CD2-CD1 4.18Å
348	L	91.4	Very high	87.9	Confident	1 Å²	1	48 Å²	48	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-72	-34.6	177.4	-64.7	171.3	0	0	0	112.2	K344 D345 E346 F351 K352 I384 V407 L411	K344-L348 HydrophobicContact CG-CD1 4.44Å; K344-L348 VanDerWaalsContact O-CG 3.3Å; K344-L348 WeakPolarHBondContact O-CG 3.14Å; K344-L348 PolarHBondContact O-N 3.41Å; D345-L348 PolarHBondContact O-N 3.44Å; D345-L348 VanDerWaalsContact O-N 3.11Å; E346-L348 VanDerWaalsContact C-N 3.29Å; E346-L348 PolarHBondContact O-N 2.95Å; L348-F351 HydrophobicContact CD2-CD2 4.25Å; L348-K352 WeakPolarHBondContact O-CD 3.48Å; L348-K352 VanDerWaalsContact O-CG 3.23Å; L348-K352 WeakPolarHBondContact O-CG 3.44Å; L348-K352 PolarHBondContact O-N 3.46Å; L348-I384 HydrophobicContact CD1-CG2 4.39Å; L348-I384 HydrophobicContact CD2-CG2 3.99Å; L348-V407 HydrophobicContact CD1-CG1 4.37Å; L348-L411 HydrophobicContact CD2-CD2 3.79Å
349	E	90.8	Very high	87.7	Confident	128 Å²	128	52.4 Å²	52.4	60%	0.598	27%	0.272	S	S	*	.	H	α-helix	trans	-66.1	-46.4	172.2	-73.3	177.1	176.8	0	0	111.6	D345 E346 F351 K352 A353	D345-E349 WeakPolarHBondContact O-CG 3.29Å; D345-E349 PolarHBondContact O-N 3.38Å; E346-E349 PolarHBondContact O-N 3Å; E349-F351 VanDerWaalsContact C-N 3.28Å; E349-F351 PolarHBondContact O-N 3.42Å; E349-K352 WeakPolarHBondContact O-CB 3.44Å; E349-K352 PolarHBondContact O-N 3.1Å; E349-A353 WeakPolarHBondContact O-CB 3.33Å; E349-A353 PolarHBondContact O-N 3.36Å
350	M	89.5	Confident	87.2	Confident	55 Å²	55	54 Å²	54	27%	0.271	28%	0.284	S	S	.	.	H	α-helix	trans	-58.3	-39.3	174.3	-73.6	-67.4	-75.2	0	0	112.1	F335 L342 E346 S354	F335-M350 HydrophobicContact CE2-CE 3.44Å; F335-M350 VanDerWaalsContact CE2-CE 3.44Å; F335-M350 HydrophobicContact CZ-CE 3.41Å; F335-M350 VanDerWaalsContact CZ-CE 3.41Å; L342-M350 HydrophobicContact CD1-CB 4.46Å; L342-M350 HydrophobicContact CD1-CG 3.86Å; E346-M350 WeakPolarHBondContact O-CB 3.19Å; E346-M350 VanDerWaalsContact O-CG 3.25Å; E346-M350 WeakPolarHBondContact O-CG 3.46Å; E346-M350 PolarHBondContact O-N 3.26Å; M350-S354 VanDerWaalsContact O-CB 3.28Å; M350-S354 WeakPolarHBondContact O-CB 3.45Å; M350-S354 PolarHBondContact O-N 2.86Å; M350-S354 PolarHBondContact O-OG 2.91Å
351	F	90.3	Very high	86.5	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.009	28%	0.284	C	S	.	.	H	α-helix	trans	-64.2	-42.8	172.9	-67.3	-8	0	0	0	112.4	I176 V178 M208 L347 L348 E349 S354 I367	I176-F351 WeakPolarHBondContact CD1-O 3.4Å; V178-F351 HydrophobicContact CG2-CE1 4.35Å; M208-F351 HydrophobicContact CE-CD1 4.02Å; M208-F351 HydrophobicContact CE-CE1 3.47Å; M208-F351 VanDerWaalsContact CE-CE1 3.47Å; M208-F351 HydrophobicContact SD-CD1 4.29Å; M208-F351 HydrophobicContact SD-CE1 4.31Å; L347-F351 HydrophobicContact CD1-CD1 4.31Å; L347-F351 HydrophobicContact CD1-CE1 3.45Å; L347-F351 VanDerWaalsContact CD1-CE1 3.45Å; L347-F351 HydrophobicContact CD1-CZ 3.62Å; L347-F351 HydrophobicContact CD2-CE2 4.32Å; L347-F351 HydrophobicContact CD2-CZ 3.88Å; L347-F351 HydrophobicContact CG-CE1 3.8Å; L347-F351 HydrophobicContact CG-CE2 4.01Å; L347-F351 HydrophobicContact CG-CZ 3.53Å; L347-F351 VanDerWaalsContact O-CD1 3.22Å; L347-F351 WeakPolarHBondContact O-CD1 3.27Å; L347-F351 WeakPolarHBondContact O-CG 3.22Å; L347-F351 PolarHBondContact O-N 2.92Å; L348-F351 HydrophobicContact CD2-CD2 4.25Å; E349-F351 VanDerWaalsContact C-N 3.28Å; E349-F351 PolarHBondContact O-N 3.42Å; F351-S354 PolarHBondContact O-N 3.31Å; F351-I367 HydrophobicContact CB-CD1 3.54Å; F351-I367 HydrophobicContact CD2-CD1 3.3Å; F351-I367 HydrophobicContact CE2-CD1 4.14Å; F351-I367 HydrophobicContact CG-CD1 3.63Å
352	K	89.1	Confident	85.8	Confident	87 Å²	87	60.9 Å²	60.9	38%	0.378	32%	0.318	S	S	.	.	H	α-helix	trans	-65.6	-43.3	178.5	-70.8	161.8	-174.1	171.7	0	111.7	L348 E349 S354 L365 E408	L348-K352 WeakPolarHBondContact O-CD 3.48Å; L348-K352 VanDerWaalsContact O-CG 3.23Å; L348-K352 WeakPolarHBondContact O-CG 3.44Å; L348-K352 PolarHBondContact O-N 3.46Å; E349-K352 WeakPolarHBondContact O-CB 3.44Å; E349-K352 PolarHBondContact O-N 3.1Å; K352-S354 VanDerWaalsContact C-N 3.33Å; K352-S354 PolarHBondContact O-N 3.11Å; K352-L365 HydrophobicContact CG-CD2 4.45Å; K352-E408 WeakPolarHBondContact CE-OE2 3.47Å; K352-E408 IonicContact NZ-OE2 3.83Å; K352-E408 PolarHBondContact NZ-OE2 3.44Å
353	A	88.7	Confident	85.2	Confident	66 Å²	66	67.7 Å²	67.7	55%	0.545	35%	0.354	S	S	.	.	H	α-helix	trans	-69.6	-27.5	178.7	0	0	0	0	0	113.3	E349 H355	E349-A353 WeakPolarHBondContact O-CB 3.33Å; E349-A353 PolarHBondContact O-N 3.36Å; A353-H355 VanDerWaalsContact C-N 3.29Å; A353-H355 PolarHBondContact O-N 2.75Å
354	S	85.3	Confident	84.9	Confident	14 Å²	14	66.4 Å²	66.4	10%	0.098	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-21.9	-176.2	-73.5	0	0	0	0	114.9	R235 M350 F351 K352	R235-S354 PolarHBondContact NH1-O 3.13Å; M350-S354 VanDerWaalsContact O-CB 3.28Å; M350-S354 WeakPolarHBondContact O-CB 3.45Å; M350-S354 PolarHBondContact O-N 2.86Å; M350-S354 PolarHBondContact O-OG 2.91Å; F351-S354 PolarHBondContact O-N 3.31Å; K352-S354 VanDerWaalsContact C-N 3.33Å; K352-S354 PolarHBondContact O-N 3.11Å
355	H	84.6	Confident	84.9	Confident	6 Å²	6	65.4 Å²	65.4	3%	0.028	34%	0.344	C	S	.	.			trans	-129.8	98.1	-174.7	-172.4	65.5	0	0	0	113.7	I176 N204 V206 A353 G357 P358 L365	I176-H355 HydrophobicContact CD1-CB 3.81Å; I176-H355 HydrophobicContact CG1-CB 3.85Å; N204-H355 PolarHBondContact O-CE1 3.12Å; V206-H355 HydrophobicContact CG2-CB 4.38Å; A353-H355 VanDerWaalsContact C-N 3.29Å; A353-H355 PolarHBondContact O-N 2.75Å; H355-G357 PolarHBondContact NE2-O 3Å; H355-P358 PolarHBondContact NE2-O 3.17Å; H355-L365 HydrophobicContact CB-CD1 4.01Å
356	N	77.1	Confident	85	Confident	147 Å²	147	61.6 Å²	61.6	79%	0.786	32%	0.324	S	S	*	.			trans	-99.2	4.9	174.5	-63.1	-35.2	0	0	0	113.3
357	G	76	Confident	85.2	Confident	31 Å²	31	59.3 Å²	59.3	32%	0.32	31%	0.313	S	S	.	.	S	Bend	trans	-84.3	-178.8	-177	0	0	0	0	0	114.5	H355	H355-G357 PolarHBondContact NE2-O 3Å
358	P	79.3	Confident	85.3	Confident	86 Å²	86	59.3 Å²	59.3	56%	0.558	31%	0.313	S	S	*	.			trans	-58.4	143.4	170.1	27.5	-34.7	0	0	0	110.3	N204 H355	N204-P358 HydrophobicContact CB-CG 4.29Å; H355-P358 PolarHBondContact NE2-O 3.17Å
359	R	83.7	Confident	85.4	Confident	122 Å²	122	59.3 Å²	59.3	46%	0.46	31%	0.313	S	S	.	.			trans	-101.1	145.8	-178.1	-61.6	179.7	-175.1	171.8	0.9	110.8	D175 K361	D175-R359 VanDerWaalsContact OD1-CA 3.27Å; D175-R359 WeakPolarHBondContact OD1-CA 3.43Å; R359-K361 WeakPolarHBondContact CB-O 3.18Å; R359-K361 PolarHBondContact O-N 2.88Å
360	C	76.5	Confident	85.6	Confident	45 Å²	45	53.2 Å²	53.2	30%	0.304	29%	0.285	S	S	.	.	S	Bend	trans	-65	-20.6	176.2	-58.2	0	0	0	0	112.1	D175 K205	D175-C360 PolarHBondContact OD1-N 2.96Å; D175-C360 PolarHBondContact OD1-SG 2.75Å; K205-C360 PolarHBondContact NZ-SG 3.27Å; K205-C360 VanDerWaalsContact NZ-SG 3.38Å
361	K	78.3	Confident	85.7	Confident	89 Å²	89	50.8 Å²	50.8	39%	0.387	27%	0.274	S	S	.	.	S	Bend	trans	-135.3	132.4	174.5	-171.8	176.2	174.6	-169.5	0	109.9	R359 D363 Q364	R359-K361 WeakPolarHBondContact CB-O 3.18Å; R359-K361 PolarHBondContact O-N 2.88Å; K361-D363 PolarHBondContact O-N 3.28Å; K361-Q364 HydrophobicContact CB-CB 4.43Å; K361-Q364 HydrophobicContact CD-CB 4.15Å; K361-Q364 HydrophobicContact CD-CG 4.45Å; K361-Q364 HydrophobicContact CG-CB 4.31Å; K361-Q364 PolarHBondContact O-N 3.48Å
362	E	74.8	Confident	85.7	Confident	183 Å²	183	51 Å²	51	86%	0.855	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	135.7	175.6	-63.2	-177	164.8	0	0	110.5	Q364	E362-Q364 PolarHBondContact O-N 3.2Å
363	D	78.1	Confident	85.7	Confident	148 Å²	148	47.5 Å²	47.5	79%	0.791	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	9.9	-178.1	-60.8	-24.7	0	0	0	117.6	K361 G410	K361-D363 PolarHBondContact O-N 3.28Å; D363-G410 WeakPolarHBondContact O-CA 3.35Å
364	Q	85.9	Confident	85.6	Confident	19 Å²	19	46.5 Å²	46.5	9%	0.089	25%	0.246	C	C	.	.			trans	-135.5	114.5	-177.4	178.6	153.5	61.2	0	0	113.8	K361 E362 G410 C412	K361-Q364 HydrophobicContact CB-CB 4.43Å; K361-Q364 HydrophobicContact CD-CB 4.15Å; K361-Q364 HydrophobicContact CD-CG 4.45Å; K361-Q364 HydrophobicContact CG-CB 4.31Å; K361-Q364 PolarHBondContact O-N 3.48Å; E362-Q364 PolarHBondContact O-N 3.2Å; Q364-G410 WeakPolarHBondContact CA-O 3.29Å; Q364-C412 HydrophobicContact CG-CB 4.14Å
365	L	90.5	Very high	85.8	Confident	6 Å²	6	45.9 Å²	45.9	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	125.3	167.8	-176.3	66	0	0	0	109.7	D175 I176 K352 H355 I367 G410 L411 C412	D175-L365 HydrophobicContact CB-CD1 3.8Å; I176-L365 HydrophobicContact CD1-CD1 4.17Å; I176-L365 HydrophobicContact CD1-CD2 4.31Å; I176-L365 HydrophobicContact CG1-CD1 4.32Å; K352-L365 HydrophobicContact CG-CD2 4.45Å; H355-L365 HydrophobicContact CB-CD1 4.01Å; L365-I367 HydrophobicContact CG-CG1 4.43Å; L365-G410 PolarHBondContact N-O 3.49Å; L365-L411 HydrophobicContact CB-CD1 4.23Å; L365-L411 HydrophobicContact CD2-CD1 4.05Å; L365-L411 HydrophobicContact CG-CD1 4.22Å; L365-C412 PolarHBondContact O-N 3.22Å
366	T	92.4	Very high	86	Confident	10 Å²	10	46.3 Å²	46.3	6%	0.061	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.2	-178	-55.2	0	0	0	0	110.9	R173 S174 D175 I176 C412 C414	R173-T366 WeakPolarHBondContact O-CB 3.46Å; R173-T366 WeakPolarHBondContact O-CG2 3.3Å; S174-T366 CarbonylContact C-O 3.56Å; S174-T366 WeakPolarHBondContact CA-O 3.3Å; D175-T366 PolarHBondContact N-O 3.08Å; D175-T366 PolarHBondContact OD2-N 3.02Å; I176-T366 PolarHBondContact N-O 3Å; T366-C412 WeakPolarHBondContact CA-O 3.38Å; T366-C412 HydrophobicContact CG2-CB 4.47Å; T366-C414 VanDerWaalsContact CG2-SG 3.58Å
367	I	94.3	Very high	86.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	118.3	-174	-52.1	-178.9	0	0	0	109.8	I176 V178 F351 L365 L369 L411 C412 L413 C414	I176-I367 HydrophobicContact CB-CG1 4.4Å; I176-I367 HydrophobicContact CB-CG2 4.33Å; I176-I367 HydrophobicContact CD1-CG1 4.48Å; I176-I367 CarbonylContact O-C 3.46Å; I176-I367 WeakPolarHBondContact O-CA 3.45Å; V178-I367 HydrophobicContact CB-CG2 4.44Å; V178-I367 HydrophobicContact CG2-CG2 3.57Å; F351-I367 HydrophobicContact CB-CD1 3.54Å; F351-I367 HydrophobicContact CD2-CD1 3.3Å; F351-I367 HydrophobicContact CE2-CD1 4.14Å; F351-I367 HydrophobicContact CG-CD1 3.63Å; L365-I367 HydrophobicContact CG-CG1 4.43Å; I367-L369 HydrophobicContact CG2-CD2 4.13Å; I367-L411 HydrophobicContact CD1-CD1 3.74Å; I367-L411 HydrophobicContact CG1-CD1 4.19Å; I367-C412 PolarHBondContact N-O 3.29Å; I367-L413 HydrophobicContact CB-CD2 3.84Å; I367-L413 HydrophobicContact CD1-CD2 4.12Å; I367-L413 HydrophobicContact CG1-CD2 4.39Å; I367-L413 HydrophobicContact CG2-CD2 4.3Å; I367-L413 CarbonylContact O-C 3.55Å; I367-L413 WeakPolarHBondContact O-CA 3.34Å; I367-C414 PolarHBondContact O-N 3.05Å
368	G	94.6	Very high	87.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	120.6	177.1	0	0	0	0	0	111.3	S174 I176 V178	S174-G368 VanDerWaalsContact CB-N 3.28Å; I176-G368 PolarHBondContact O-N 3.15Å; V178-G368 PolarHBondContact N-O 3.23Å
369	L	94.4	Very high	87.8	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	112.5	175.7	-57.4	-175.4	0	0	0	110	V178 I180 I367 K377 I381 L413 C414 C416	V178-L369 HydrophobicContact CB-CD2 3.84Å; V178-L369 HydrophobicContact CG1-CD2 4.28Å; V178-L369 HydrophobicContact CG2-CD2 4.38Å; I180-L369 HydrophobicContact CD1-CB 4.32Å; I180-L369 HydrophobicContact CD1-CD1 4.5Å; I180-L369 HydrophobicContact CD1-CD2 4.41Å; I367-L369 HydrophobicContact CG2-CD2 4.13Å; L369-K377 HydrophobicContact CB-CD 4.04Å; L369-K377 HydrophobicContact CB-CG 4.14Å; L369-K377 WeakPolarHBondContact O-CD 3.34Å; L369-I381 HydrophobicContact CD1-CD1 3.86Å; L369-I381 HydrophobicContact CD1-CG1 3.5Å; L369-I381 VanDerWaalsContact CD1-CG1 3.5Å; L369-L413 HydrophobicContact CD1-CD1 4.47Å; L369-C414 PolarHBondContact N-O 3.34Å; L369-C416 WeakPolarHBondContact O-CB 3.48Å; L369-C416 PolarHBondContact O-N 3.02Å
370	V	93.9	Very high	88.3	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.8	-179.6	-177.5	0	0	0	0	109.4	L167 V170 V177 V178 Q179 I180 L194 C416 M421	L167-V370 HydrophobicContact CD1-CB 4.39Å; L167-V370 HydrophobicContact CD1-CG1 3.66Å; L167-V370 HydrophobicContact CD1-CG2 3.72Å; V170-V370 HydrophobicContact CG1-CG2 3.97Å; V177-V370 HydrophobicContact CG1-CG2 4.17Å; V178-V370 PolarHBondContact O-N 3.34Å; Q179-V370 CarbonylContact C-O 3.55Å; Q179-V370 WeakPolarHBondContact CA-O 3.1Å; I180-V370 PolarHBondContact N-O 3.04Å; L194-V370 HydrophobicContact CD2-CB 4.23Å; L194-V370 HydrophobicContact CD2-CG1 3.85Å; V370-C416 HydrophobicContact CG2-CB 4.46Å; V370-M421 HydrophobicContact CG1-CE 3.69Å
371	G	92.1	Very high	89	Confident	4 Å²	4	29.2 Å²	29.2	4%	0.041	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.8	168.8	175.4	0	0	0	0	0	113	G418 L419	G371-G418 WeakPolarHBondContact O-CA 3.49Å; G371-L419 PolarHBondContact O-N 2.66Å; G371-L419 VanDerWaalsContact O-N 3.13Å
372	Y	91.1	Very high	89.6	Confident	6 Å²	6	25.9 Å²	25.9	2%	0.024	14%	0.142	C	C	.	.			trans	-65.2	160.8	178	-79.8	-120	0	0	0	111.6	F189 V375 L419 V420 M421 I436	F189-Y372 HydrophobicContact CB-CD2 4.44Å; F189-Y372 AromaticContact CD1-CD1 3.86Å; F189-Y372 HydrophobicContact CD1-CD1 3.86Å; F189-Y372 AromaticContact CD1-CD2 4Å; F189-Y372 HydrophobicContact CD1-CD2 4Å; F189-Y372 HydrophobicContact CD1-CE1 4.45Å; F189-Y372 AromaticContact CD1-CG 3.61Å; F189-Y372 HydrophobicContact CD1-CG 3.61Å; F189-Y372 HydrophobicContact CE1-CD1 4.14Å; F189-Y372 HydrophobicContact CE1-CG 4.21Å; F189-Y372 WeakPolarHBondContact O-CE2 3.27Å; Y372-V375 VanDerWaalsContact O-CG2 3.27Å; Y372-V375 WeakPolarHBondContact O-CG2 3.39Å; Y372-L419 WeakPolarHBondContact CA-O 3.37Å; Y372-V420 HydrophobicContact CD1-CB 4.45Å; Y372-V420 HydrophobicContact CD1-CG1 4.13Å; Y372-V420 HydrophobicContact CD1-CG2 4.35Å; Y372-V420 HydrophobicContact CE1-CB 4.44Å; Y372-V420 HydrophobicContact CE1-CG1 3.76Å; Y372-M421 HydrophobicContact CE2-CB 4.4Å; Y372-M421 PolarHBondContact OH-O 3.18Å; Y372-M421 VanDerWaalsContact OH-O 3.1Å; Y372-I436 HydrophobicContact CD1-CD1 4.25Å; Y372-I436 HydrophobicContact CD1-CG1 4.34Å; Y372-I436 HydrophobicContact CE1-CD1 4.18Å
373	P	88.3	Confident	90.4	Very high	13 Å²	13	17.6 Å²	17.6	8%	0.084	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	152.4	165.1	-22.8	33.8	0	0	0	111.7	V375 P396 V420	P373-V375 PolarHBondContact O-N 2.7Å; P373-P396 HydrophobicContact CB-CB 3.8Å; P373-P396 HydrophobicContact CB-CG 4.26Å; P373-P396 HydrophobicContact CG-CB 4.26Å; P373-V420 HydrophobicContact CG-CG2 3.88Å
374	N	86.3	Confident	91	Very high	46 Å²	46	10.8 Å²	10.8	25%	0.246	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	-1.1	173.5	-61.4	-21	0	0	0	118.1	K213 G376 A394 G435	K213-N374 PolarHBondContact NZ-O 3.43Å; N374-G376 PolarHBondContact O-N 3.11Å; N374-A394 PolarHBondContact ND2-O 3.11Å; N374-A394 PolarHBondContact OD1-O 3.37Å; N374-G435 PolarHBondContact ND2-O 3.29Å
375	V	89.8	Confident	91.1	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.006	7%	0.067	C	C	.	.	S	Bend	trans	-68.2	-17.5	172.4	-54.7	0	0	0	0	113.2	I180 D182 F189 N212 K213 Y372 P373	I180-V375 HydrophobicContact CB-CG2 4.16Å; I180-V375 HydrophobicContact CG2-CG2 3.89Å; I180-V375 WeakPolarHBondContact O-CG2 3.2Å; D182-V375 HydrophobicContact CB-CG1 4.5Å; F189-V375 HydrophobicContact CD1-CG1 3.92Å; F189-V375 HydrophobicContact CE1-CG1 4.2Å; F189-V375 HydrophobicContact CG-CG1 4.26Å; N212-V375 PolarHBondContact ND2-O 2.69Å; K213-V375 WeakPolarHBondContact CE-O 3.37Å; Y372-V375 VanDerWaalsContact O-CG2 3.27Å; Y372-V375 WeakPolarHBondContact O-CG2 3.39Å; P373-V375 PolarHBondContact O-N 2.7Å
376	G	88.4	Confident	90.8	Very high	15 Å²	15	16.7 Å²	16.7	16%	0.155	9%	0.089	C	C	.	.	S	Bend	trans	106.6	9.5	174.1	0	0	0	0	0	116.1	N374 S378 S379 T380	N374-G376 PolarHBondContact O-N 3.11Å; G376-S378 PolarHBondContact O-N 3.12Å; G376-S379 WeakPolarHBondContact O-CA 3.39Å; G376-S379 VanDerWaalsContact O-CB 3.25Å; G376-S379 WeakPolarHBondContact O-CB 3.34Å; G376-S379 PolarHBondContact O-N 3.39Å; G376-T380 PolarHBondContact O-N 3.47Å
377	K	90.6	Very high	90.1	Very high	9 Å²	9	21 Å²	21	4%	0.039	11%	0.112	C	C	.	.	H	α-helix	trans	-42.8	-54	178.5	176.4	173	57.4	56.5	0	114.7	I180 L369 S379 T380 I381 D415 C416	I180-K377 HydrophobicContact CD1-CB 3.87Å; I180-K377 HydrophobicContact CD1-CG 3.87Å; L369-K377 HydrophobicContact CB-CD 4.04Å; L369-K377 HydrophobicContact CB-CG 4.14Å; L369-K377 WeakPolarHBondContact O-CD 3.34Å; K377-S379 VanDerWaalsContact C-N 3.28Å; K377-S379 PolarHBondContact O-N 3Å; K377-T380 WeakPolarHBondContact O-CB 3.5Å; K377-T380 PolarHBondContact O-N 2.83Å; K377-I381 HydrophobicContact CG-CD1 4.33Å; K377-I381 WeakPolarHBondContact O-CG1 3.35Å; K377-I381 PolarHBondContact O-N 3Å; K377-I381 VanDerWaalsContact O-N 3.07Å; K377-D415 VanDerWaalsContact CD-OD1 3.26Å; K377-D415 WeakPolarHBondContact CD-OD1 3.49Å; K377-D415 WeakPolarHBondContact CE-OD1 3.33Å; K377-D415 WeakPolarHBondContact CG-OD1 3.49Å; K377-D415 IonicContact NZ-OD1 2.7Å; K377-D415 PolarHBondContact NZ-OD1 3.17Å; K377-D415 IonicContact NZ-OD2 2.71Å; K377-C416 WeakPolarHBondContact CE-O 3.43Å; K377-C416 PolarHBondContact NZ-O 2.95Å
378	S	89.4	Confident	89.4	Confident	11 Å²	11	30.8 Å²	30.8	8%	0.077	15%	0.154	C	C	.	.	H	α-helix	trans	-74	-17.5	-179.1	-55	0	0	0	0	113.4	G376 N382 T399 D415	G376-S378 PolarHBondContact O-N 3.12Å; S378-N382 PolarHBondContact O-N 3.31Å; S378-N382 PolarHBondContact O-ND2 2.83Å; S378-T399 PolarHBondContact OG-OG1 2.97Å; S378-D415 PolarHBondContact OG-OD2 3.5Å
379	S	90.9	Very high	88.6	Confident	50 Å²	50	36.2 Å²	36.2	35%	0.35	18%	0.178	S	C	.	.	H	α-helix	trans	-72.7	-48	167	-53.3	0	0	0	0	110.8	G376 K377 I381 N382 T383	G376-S379 WeakPolarHBondContact O-CA 3.39Å; G376-S379 VanDerWaalsContact O-CB 3.25Å; G376-S379 WeakPolarHBondContact O-CB 3.34Å; G376-S379 PolarHBondContact O-N 3.39Å; K377-S379 VanDerWaalsContact C-N 3.28Å; K377-S379 PolarHBondContact O-N 3Å; S379-I381 VanDerWaalsContact C-N 3.28Å; S379-I381 PolarHBondContact O-N 3.35Å; S379-N382 PolarHBondContact O-N 2.94Å; S379-N382 VanDerWaalsContact O-N 3.08Å; S379-T383 PolarHBondContact O-N 3.45Å; S379-T383 PolarHBondContact O-OG1 3.04Å
380	T	92.8	Very high	87.8	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-52.7	-45.6	174	-61.9	0	0	0	0	111.7	L210 W239 G376 K377 N382 T383 I384	L210-T380 HydrophobicContact CD2-CG2 4.05Å; W239-T380 PolarHBondContact NE1-OG1 3.39Å; G376-T380 PolarHBondContact O-N 3.47Å; K377-T380 WeakPolarHBondContact O-CB 3.5Å; K377-T380 PolarHBondContact O-N 2.83Å; T380-N382 PolarHBondContact O-N 3.34Å; T380-T383 PolarHBondContact O-N 3.47Å; T380-I384 HydrophobicContact CG2-CD1 3.79Å; T380-I384 HydrophobicContact CG2-CG1 4.49Å; T380-I384 WeakPolarHBondContact O-CG1 3.2Å; T380-I384 PolarHBondContact O-N 2.84Å
381	I	91.6	Very high	87.1	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.8	-48.1	175.7	-70.8	169.5	0	0	0	112.2	L369 K377 S379 T383 I384 L385 V390 L405 D415	L369-I381 HydrophobicContact CD1-CD1 3.86Å; L369-I381 HydrophobicContact CD1-CG1 3.5Å; L369-I381 VanDerWaalsContact CD1-CG1 3.5Å; K377-I381 HydrophobicContact CG-CD1 4.33Å; K377-I381 WeakPolarHBondContact O-CG1 3.35Å; K377-I381 PolarHBondContact O-N 3Å; K377-I381 VanDerWaalsContact O-N 3.07Å; S379-I381 VanDerWaalsContact C-N 3.28Å; S379-I381 PolarHBondContact O-N 3.35Å; I381-T383 VanDerWaalsContact C-N 3.34Å; I381-T383 PolarHBondContact O-N 3.13Å; I381-I384 PolarHBondContact O-N 3.36Å; I381-L385 HydrophobicContact CG2-CD1 3.66Å; I381-L385 WeakPolarHBondContact O-CB 3.37Å; I381-L385 WeakPolarHBondContact O-CG 3.21Å; I381-L385 PolarHBondContact O-N 2.99Å; I381-V390 HydrophobicContact CG2-CG2 3.75Å; I381-L405 HydrophobicContact CD1-CD1 4.4Å; I381-L405 HydrophobicContact CG2-CD1 3.38Å; I381-D415 HydrophobicContact CD1-CB 3.61Å; I381-D415 WeakPolarHBondContact CD1-OD1 3.37Å; I381-D415 WeakPolarHBondContact CD1-OD2 3.36Å
382	N	91.2	Very high	86.5	Confident	19 Å²	19	43.6 Å²	43.6	10%	0.102	23%	0.225	C	C	.	.	H	α-helix	trans	-66.2	-36.3	-179.7	-76	-29.6	0	0	0	112.2	S378 S379 T380 R386 N387 K389 V390	S378-N382 PolarHBondContact O-N 3.31Å; S378-N382 PolarHBondContact O-ND2 2.83Å; S379-N382 PolarHBondContact O-N 2.94Å; S379-N382 VanDerWaalsContact O-N 3.08Å; T380-N382 PolarHBondContact O-N 3.34Å; N382-R386 PolarHBondContact O-N 3.17Å; N382-N387 PolarHBondContact O-N 3.31Å; N382-N387 PolarHBondContact OD1-O 3.4Å; N382-N387 VanDerWaalsContact OD1-O 3.12Å; N382-K389 PolarHBondContact OD1-N 3.44Å; N382-K389 VanDerWaalsContact OD1-N 3.13Å; N382-V390 PolarHBondContact ND2-O 3.21Å; N382-V390 PolarHBondContact OD1-N 3.23Å; N382-V390 PolarHBondContact OD1-O 3.04Å
383	T	91.8	Very high	85.9	Confident	9 Å²	9	46.1 Å²	46.1	6%	0.055	24%	0.244	C	C	.	.	H	α-helix	trans	-63.6	-50.6	174.8	-52.4	0	0	0	0	110.6	W239 A241 E244 L248 S379 T380 I381 L385 R386	W239-T383 HydrophobicContact CH2-CG2 4.48Å; W239-T383 HydrophobicContact CZ2-CG2 4.03Å; A241-T383 PolarHBondContact O-OG1 2.87Å; E244-T383 HydrophobicContact CB-CG2 3.9Å; E244-T383 HydrophobicContact CG-CG2 3.75Å; L248-T383 HydrophobicContact CD1-CG2 4.24Å; S379-T383 PolarHBondContact O-N 3.45Å; S379-T383 PolarHBondContact O-OG1 3.04Å; T380-T383 PolarHBondContact O-N 3.47Å; I381-T383 VanDerWaalsContact C-N 3.34Å; I381-T383 PolarHBondContact O-N 3.13Å; T383-L385 VanDerWaalsContact C-N 3.33Å; T383-L385 PolarHBondContact O-N 3.39Å; T383-R386 PolarHBondContact O-N 2.82Å; T383-R386 VanDerWaalsContact O-N 3.13Å
384	I	90.9	Very high	85	Confident	5 Å²	5	49.3 Å²	49.3	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-58.8	-43.7	177.3	-67.6	167.2	0	0	0	111.5	K344 L347 L348 T380 I381 R386 V407 L413	K344-I384 WeakPolarHBondContact CE-O 3.45Å; K344-I384 HydrophobicContact CG-CG1 4.42Å; L347-I384 HydrophobicContact CD2-CD1 4.18Å; L348-I384 HydrophobicContact CD1-CG2 4.39Å; L348-I384 HydrophobicContact CD2-CG2 3.99Å; T380-I384 HydrophobicContact CG2-CD1 3.79Å; T380-I384 HydrophobicContact CG2-CG1 4.49Å; T380-I384 WeakPolarHBondContact O-CG1 3.2Å; T380-I384 PolarHBondContact O-N 2.84Å; I381-I384 PolarHBondContact O-N 3.36Å; I384-R386 VanDerWaalsContact C-N 3.26Å; I384-R386 PolarHBondContact O-N 3.32Å; I384-V407 HydrophobicContact CG2-CG1 3.95Å; I384-V407 HydrophobicContact CG2-CG2 4.15Å; I384-L413 HydrophobicContact CD1-CD1 4.15Å; I384-L413 HydrophobicContact CG2-CD1 4.11Å
385	L	87.8	Confident	84.3	Confident	16 Å²	16	50.8 Å²	50.8	8%	0.084	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-2.2	-178.3	-68.7	169.2	0	0	0	114.1	I381 T383 N387 K389 L405 V407	I381-L385 HydrophobicContact CG2-CD1 3.66Å; I381-L385 WeakPolarHBondContact O-CB 3.37Å; I381-L385 WeakPolarHBondContact O-CG 3.21Å; I381-L385 PolarHBondContact O-N 2.99Å; T383-L385 VanDerWaalsContact C-N 3.33Å; T383-L385 PolarHBondContact O-N 3.39Å; L385-N387 WeakPolarHBondContact O-CB 3.45Å; L385-N387 PolarHBondContact O-N 2.94Å; L385-N387 PolarHBondContact O-ND2 3.3Å; L385-K389 HydrophobicContact CD1-CB 4.44Å; L385-K389 HydrophobicContact CD1-CD 4.02Å; L385-K389 HydrophobicContact CD1-CG 4.4Å; L385-L405 HydrophobicContact CD1-CB 4.21Å; L385-L405 HydrophobicContact CD1-CD1 4.06Å; L385-V407 HydrophobicContact CD2-CB 4.28Å; L385-V407 HydrophobicContact CD2-CG1 4.49Å; L385-V407 HydrophobicContact CD2-CG2 3.77Å
386	R	83.9	Confident	83.2	Confident	132 Å²	132	52.4 Å²	52.4	50%	0.498	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	26.1	-172.5	-60	-169.2	66.9	-169.8	2.2	114.2	L248 N382 T383 I384	L248-R386 HydrophobicContact CD1-CG 4.3Å; N382-R386 PolarHBondContact O-N 3.17Å; T383-R386 PolarHBondContact O-N 2.82Å; T383-R386 VanDerWaalsContact O-N 3.13Å; I384-R386 VanDerWaalsContact C-N 3.26Å; I384-R386 PolarHBondContact O-N 3.32Å
387	N	79	Confident	82.2	Confident	102 Å²	102	52.8 Å²	52.8	55%	0.545	30%	0.297	S	S	.	.	S	Bend	trans	-152.7	141.5	-170.1	-79.9	-80.1	0	0	0	109.9	N382 L385 K389	N382-N387 PolarHBondContact O-N 3.31Å; N382-N387 PolarHBondContact OD1-O 3.4Å; N382-N387 VanDerWaalsContact OD1-O 3.12Å; L385-N387 WeakPolarHBondContact O-CB 3.45Å; L385-N387 PolarHBondContact O-N 2.94Å; L385-N387 PolarHBondContact O-ND2 3.3Å; N387-K389 HydrophobicContact CB-CG 4.1Å; N387-K389 PolarHBondContact O-N 3.34Å
388	K	78.1	Confident	81.3	Confident	204 Å²	204	56.1 Å²	56.1	89%	0.887	31%	0.312	S	S	*	.			trans	-76.3	64.7	174.8	-65.6	178	-179	172.1	0	111
389	K	77.5	Confident	80.3	Confident	115 Å²	115	56.4 Å²	56.4	50%	0.5	31%	0.313	S	S	.	.			trans	-76.1	-36.2	176.5	-64.2	-158.2	-160.4	167.4	0	111.9	N382 L385 N387	N382-K389 PolarHBondContact OD1-N 3.44Å; N382-K389 VanDerWaalsContact OD1-N 3.13Å; L385-K389 HydrophobicContact CD1-CB 4.44Å; L385-K389 HydrophobicContact CD1-CD 4.02Å; L385-K389 HydrophobicContact CD1-CG 4.4Å; N387-K389 HydrophobicContact CB-CG 4.1Å; N387-K389 PolarHBondContact O-N 3.34Å
390	V	79.2	Confident	79.3	Confident	7 Å²	7	57.4 Å²	57.4	4%	0.042	31%	0.312	C	S	.	.	S	Bend	trans	-107.3	135.7	179.9	-171.9	0	0	0	0	109.6	I381 N382 L405	I381-V390 HydrophobicContact CG2-CG2 3.75Å; N382-V390 PolarHBondContact ND2-O 3.21Å; N382-V390 PolarHBondContact OD1-N 3.23Å; N382-V390 PolarHBondContact OD1-O 3.04Å; V390-L405 HydrophobicContact CG2-CD1 3.8Å
391	S	78.8	Confident	78.5	Confident	73 Å²	73	59.6 Å²	59.6	51%	0.51	32%	0.322	S	S	.	.			trans	-73	144	175.9	59.8	0	0	0	0	110.9	H398	S391-H398 WeakPolarHBondContact CB-NE2 3.43Å; S391-H398 PolarHBondContact O-CD2 2.98Å; S391-H398 VanDerWaalsContact O-CD2 3.28Å; S391-H398 PolarHBondContact OG-CD2 2.88Å; S391-H398 PolarHBondContact OG-NE2 3.34Å
392	V	79.4	Confident	78	Confident	81 Å²	81	61 Å²	61	49%	0.491	33%	0.328	S	S	.	.			trans	-124.5	143.1	-177.6	-67.5	0	0	0	0	111.1
393	S	77.8	Confident	77.6	Confident	58 Å²	58	63.3 Å²	63.3	41%	0.406	34%	0.338	S	S	.	.			trans	-150.5	152.7	176.6	-176.6	0	0	0	0	109.7	T395	S393-T395 VanDerWaalsContact C-N 3.27Å; S393-T395 PolarHBondContact OG-N 3.14Å
394	A	70.1	Confident	77.4	Confident	80 Å²	80	64.6 Å²	64.6	66%	0.661	35%	0.346	S	S	*	.	S	Bend	trans	-82.9	-3.9	170.7	0	0	0	0	0	113	N374	N374-A394 PolarHBondContact ND2-O 3.11Å; N374-A394 PolarHBondContact OD1-O 3.37Å
395	T	71.4	Confident	77.3	Confident	77 Å²	77	65.2 Å²	65.2	47%	0.472	35%	0.349	S	S	.	.	S	Bend	trans	-90	131.2	174	-48.9	0	0	0	0	109.8	S393	S393-T395 VanDerWaalsContact C-N 3.27Å; S393-T395 PolarHBondContact OG-N 3.14Å
396	P	66.6	Low	77.4	Confident	36 Å²	36	70.5 Å²	70.5	23%	0.234	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	156.5	172.8	-26.9	35.5	0	0	0	113.8	P373	P373-P396 HydrophobicContact CB-CB 3.8Å; P373-P396 HydrophobicContact CB-CG 4.26Å; P373-P396 HydrophobicContact CG-CB 4.26Å
397	G	68.3	Low	77.5	Confident	23 Å²	23	66 Å²	66	24%	0.237	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	17.5	174.6	0	0	0	0	0	116
398	H	70.6	Confident	77.9	Confident	79 Å²	79	64.1 Å²	64.1	37%	0.366	34%	0.344	S	S	.	.			trans	-76.3	-45.7	-178.5	-167.2	61.5	0	0	0	113.7	S391 K400	S391-H398 WeakPolarHBondContact CB-NE2 3.43Å; S391-H398 PolarHBondContact O-CD2 2.98Å; S391-H398 VanDerWaalsContact O-CD2 3.28Å; S391-H398 PolarHBondContact OG-CD2 2.88Å; S391-H398 PolarHBondContact OG-NE2 3.34Å; H398-K400 PolarHBondContact O-N 2.89Å
399	T	68.8	Low	78.2	Confident	17 Å²	17	61 Å²	61	10%	0.104	34%	0.344	C	S	.	.			trans	-80.5	114.5	171.2	-48.7	0	0	0	0	109.1	S378 D415 P417	S378-T399 PolarHBondContact OG-OG1 2.97Å; T399-D415 WeakPolarHBondContact CG2-OD2 3.44Å; T399-P417 WeakPolarHBondContact O-CA 3.43Å; T399-P417 WeakPolarHBondContact O-CB 3.35Å
400	K	70.1	Confident	78.6	Confident	71 Å²	71	57 Å²	57	31%	0.309	34%	0.335	S	S	.	.			trans	-109.2	-18.2	-170.3	-68.5	179.9	169	-139.8	0	115.8	L50 H398	L50-K400 VanDerWaalsContact O-CD 3.26Å; L50-K400 WeakPolarHBondContact O-CD 3.4Å; L50-K400 VanDerWaalsContact O-CE 3.24Å; L50-K400 WeakPolarHBondContact O-CE 3.25Å; L50-K400 PolarHBondContact O-NZ 2.73Å; H398-K400 PolarHBondContact O-N 2.89Å
401	H	76.5	Confident	79.1	Confident	48 Å²	48	56.8 Å²	56.8	22%	0.222	33%	0.334	C	S	.	.	S	Bend	trans	-135.4	149.7	-172.3	-50.8	-73.3	0	0	0	109.7	W45	W45-H401 PolarHBondContact O-CE1 3.15Å
402	F	81.3	Confident	79.7	Confident	29 Å²	29	53.4 Å²	53.4	13%	0.127	31%	0.31	C	S	.	.			trans	-59.3	139	167.7	173.1	-95.2	0	0	0	110.9	Q166 V170 T404 C414 D415	Q166-F402 VanDerWaalsContact OE1-CB 3.29Å; V170-F402 HydrophobicContact CB-CE2 4.43Å; V170-F402 HydrophobicContact CG2-CD2 3.49Å; V170-F402 VanDerWaalsContact CG2-CD2 3.49Å; V170-F402 HydrophobicContact CG2-CE2 3.61Å; F402-T404 VanDerWaalsContact CE1-OG1 3.29Å; F402-T404 WeakPolarHBondContact CE1-OG1 3.34Å; F402-C414 HydrophobicContact CE2-CB 3.71Å; F402-C414 HydrophobicContact CZ-CB 4Å; F402-D415 WeakPolarHBondContact CA-O 3.43Å
403	Q	82.6	Confident	80.3	Confident	67 Å²	67	49.5 Å²	49.5	31%	0.313	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	135.7	178.2	-61.3	-178.9	22.6	0	0	111.6	L405 C414 D415	Q403-L405 HydrophobicContact CB-CG 4.5Å; Q403-C414 CarbonylContact O-C 3.4Å; Q403-C414 WeakPolarHBondContact O-CA 3.34Å; Q403-D415 HydrophobicContact CB-CB 4.32Å; Q403-D415 PolarHBondContact N-O 3.05Å; Q403-D415 PolarHBondContact O-N 3.45Å
404	T	87.9	Confident	80.9	Confident	36 Å²	36	46.8 Å²	46.8	22%	0.221	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	117	177.3	-54.6	0	0	0	0	109.3	F402 Y406 C412	F402-T404 VanDerWaalsContact CE1-OG1 3.29Å; F402-T404 WeakPolarHBondContact CE1-OG1 3.34Å; T404-Y406 HydrophobicContact CG2-CE2 4.07Å; T404-C412 WeakPolarHBondContact CG2-SG 3.33Å
405	L	88.1	Confident	81.7	Confident	18 Å²	18	43 Å²	43	9%	0.094	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	103.1	-170	-61.7	175	0	0	0	110.6	I381 L385 V390 Q403 V407 L413	I381-L405 HydrophobicContact CD1-CD1 4.4Å; I381-L405 HydrophobicContact CG2-CD1 3.38Å; L385-L405 HydrophobicContact CD1-CB 4.21Å; L385-L405 HydrophobicContact CD1-CD1 4.06Å; V390-L405 HydrophobicContact CG2-CD1 3.8Å; Q403-L405 HydrophobicContact CB-CG 4.5Å; L405-V407 PolarHBondContact O-N 3.46Å; L405-L413 HydrophobicContact CB-CB 4.44Å; L405-L413 PolarHBondContact N-O 2.87Å; L405-L413 PolarHBondContact O-N 3.48Å
406	Y	89.3	Confident	82.4	Confident	128 Å²	128	39.3 Å²	39.3	50%	0.502	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	126.2	173.8	-58.6	-90.6	0	0	0	110.1	T404	T404-Y406 HydrophobicContact CG2-CE2 4.07Å
407	V	87.3	Confident	83.2	Confident	36 Å²	36	37.6 Å²	37.6	22%	0.218	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-56.5	177.5	-178.2	0	0	0	0	109.4	L348 I384 L385 L405 L411 L413	L348-V407 HydrophobicContact CD1-CG1 4.37Å; I384-V407 HydrophobicContact CG2-CG1 3.95Å; I384-V407 HydrophobicContact CG2-CG2 4.15Å; L385-V407 HydrophobicContact CD2-CB 4.28Å; L385-V407 HydrophobicContact CD2-CG1 4.49Å; L385-V407 HydrophobicContact CD2-CG2 3.77Å; L405-V407 PolarHBondContact O-N 3.46Å; V407-L411 HydrophobicContact CB-CD2 4.48Å; V407-L411 PolarHBondContact N-O 3.09Å; V407-L413 HydrophobicContact CG2-CD1 3.64Å; V407-L413 HydrophobicContact CG2-CG 3.61Å
408	E	86.9	Confident	83.9	Confident	64 Å²	64	37 Å²	37	30%	0.299	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	162.1	-176.8	-81.3	163.3	-152.9	0	0	109.9	K352 G410 L411	K352-E408 WeakPolarHBondContact CE-OE2 3.47Å; K352-E408 IonicContact NZ-OE2 3.83Å; K352-E408 PolarHBondContact NZ-OE2 3.44Å; E408-G410 PolarHBondContact O-N 3.2Å; E408-L411 HydrophobicContact CB-CB 4.17Å; E408-L411 PolarHBondContact O-N 2.89Å; E408-L411 VanDerWaalsContact O-O 3.11Å
409	P	84.2	Confident	84.7	Confident	138 Å²	138	33.3 Å²	33.3	90%	0.896	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	123.5	167.7	-22.7	34.4	0	0	0	110.4	L411	P409-L411 VanDerWaalsContact C-N 3.34Å; P409-L411 PolarHBondContact O-N 3.4Å
410	G	84.8	Confident	85.6	Confident	30 Å²	30	32.7 Å²	32.7	31%	0.309	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	1.4	-176.6	0	0	0	0	0	116.1	D363 Q364 L365 E408	D363-G410 WeakPolarHBondContact O-CA 3.35Å; Q364-G410 WeakPolarHBondContact CA-O 3.29Å; L365-G410 PolarHBondContact N-O 3.49Å; E408-G410 PolarHBondContact O-N 3.2Å
411	L	90	Very high	86.5	Confident	3 Å²	3	29.4 Å²	29.4	2%	0.016	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	124	177.5	-177.3	60.8	0	0	0	113.1	L348 L365 I367 V407 E408 P409	L348-L411 HydrophobicContact CD2-CD2 3.79Å; L365-L411 HydrophobicContact CB-CD1 4.23Å; L365-L411 HydrophobicContact CD2-CD1 4.05Å; L365-L411 HydrophobicContact CG-CD1 4.22Å; I367-L411 HydrophobicContact CD1-CD1 3.74Å; I367-L411 HydrophobicContact CG1-CD1 4.19Å; V407-L411 HydrophobicContact CB-CD2 4.48Å; V407-L411 PolarHBondContact N-O 3.09Å; E408-L411 HydrophobicContact CB-CB 4.17Å; E408-L411 PolarHBondContact O-N 2.89Å; E408-L411 VanDerWaalsContact O-O 3.11Å; P409-L411 VanDerWaalsContact C-N 3.34Å; P409-L411 PolarHBondContact O-N 3.4Å
412	C	91.6	Very high	87.1	Confident	2 Å²	2	27.5 Å²	27.5	1%	0.014	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	137.2	178.3	-167.8	0	0	0	0	112.2	Q364 L365 T366 I367 T404	Q364-C412 HydrophobicContact CG-CB 4.14Å; L365-C412 PolarHBondContact O-N 3.22Å; T366-C412 WeakPolarHBondContact CA-O 3.38Å; T366-C412 HydrophobicContact CG2-CB 4.47Å; I367-C412 PolarHBondContact N-O 3.29Å; T404-C412 WeakPolarHBondContact CG2-SG 3.33Å
413	L	91.8	Very high	87.4	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	143.4	165.8	-57.2	-179.8	0	0	0	109.9	I367 L369 I384 L405 V407	I367-L413 HydrophobicContact CB-CD2 3.84Å; I367-L413 HydrophobicContact CD1-CD2 4.12Å; I367-L413 HydrophobicContact CG1-CD2 4.39Å; I367-L413 HydrophobicContact CG2-CD2 4.3Å; I367-L413 CarbonylContact O-C 3.55Å; I367-L413 WeakPolarHBondContact O-CA 3.34Å; L369-L413 HydrophobicContact CD1-CD1 4.47Å; I384-L413 HydrophobicContact CD1-CD1 4.15Å; I384-L413 HydrophobicContact CG2-CD1 4.11Å; L405-L413 HydrophobicContact CB-CB 4.44Å; L405-L413 PolarHBondContact N-O 2.87Å; L405-L413 PolarHBondContact O-N 3.48Å; V407-L413 HydrophobicContact CG2-CD1 3.64Å; V407-L413 HydrophobicContact CG2-CG 3.61Å
414	C	90.1	Very high	87.6	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	116	174.8	-76.3	0	0	0	0	109.4	T366 I367 L369 F402 Q403	T366-C414 VanDerWaalsContact CG2-SG 3.58Å; I367-C414 PolarHBondContact O-N 3.05Å; L369-C414 PolarHBondContact N-O 3.34Å; F402-C414 HydrophobicContact CE2-CB 3.71Å; F402-C414 HydrophobicContact CZ-CB 4Å; Q403-C414 CarbonylContact O-C 3.4Å; Q403-C414 WeakPolarHBondContact O-CA 3.34Å
415	D	88.1	Confident	87.4	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	123.2	178.2	-162.2	16.9	0	0	0	110.8	K377 S378 I381 T399 F402 Q403	K377-D415 VanDerWaalsContact CD-OD1 3.26Å; K377-D415 WeakPolarHBondContact CD-OD1 3.49Å; K377-D415 WeakPolarHBondContact CE-OD1 3.33Å; K377-D415 WeakPolarHBondContact CG-OD1 3.49Å; K377-D415 IonicContact NZ-OD1 2.7Å; K377-D415 PolarHBondContact NZ-OD1 3.17Å; K377-D415 IonicContact NZ-OD2 2.71Å; S378-D415 PolarHBondContact OG-OD2 3.5Å; I381-D415 HydrophobicContact CD1-CB 3.61Å; I381-D415 WeakPolarHBondContact CD1-OD1 3.37Å; I381-D415 WeakPolarHBondContact CD1-OD2 3.36Å; T399-D415 WeakPolarHBondContact CG2-OD2 3.44Å; F402-D415 WeakPolarHBondContact CA-O 3.43Å; Q403-D415 HydrophobicContact CB-CB 4.32Å; Q403-D415 PolarHBondContact N-O 3.05Å; Q403-D415 PolarHBondContact O-N 3.45Å
416	C	84.8	Confident	87.2	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-85.3	148.4	169.1	-169.1	0	0	0	0	110.3	V170 L369 V370 K377	V170-C416 HydrophobicContact CG2-CB 3.88Å; L369-C416 WeakPolarHBondContact O-CB 3.48Å; L369-C416 PolarHBondContact O-N 3.02Å; V370-C416 HydrophobicContact CG2-CB 4.46Å; K377-C416 WeakPolarHBondContact CE-O 3.43Å; K377-C416 PolarHBondContact NZ-O 2.95Å
417	P	84.5	Confident	87	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-53.3	146.9	157.4	25.6	-35.6	0	0	0	110.6	F163 Q166 T399 L419	F163-P417 HydrophobicContact CD1-CB 3.66Å; F163-P417 HydrophobicContact CD1-CG 3.83Å; F163-P417 HydrophobicContact CE1-CB 3.65Å; F163-P417 HydrophobicContact CE1-CG 4.29Å; Q166-P417 HydrophobicContact CB-CG 3.72Å; Q166-P417 HydrophobicContact CG-CG 3.91Å; T399-P417 WeakPolarHBondContact O-CA 3.43Å; T399-P417 WeakPolarHBondContact O-CB 3.35Å; P417-L419 PolarHBondContact O-N 3.06Å
418	G	83.6	Confident	87	Confident	12 Å²	12	21.4 Å²	21.4	12%	0.124	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-68.1	117.6	177.8	0	0	0	0	0	110.1	G371	G371-G418 WeakPolarHBondContact O-CA 3.49Å
419	L	86.8	Confident	87	Confident	1 Å²	1	18.8 Å²	18.8	1%	0.005	12%	0.119	C	C	.	.			trans	-112.7	129.5	-170.5	-167.8	76.1	0	0	0	110.4	E158 F163 W164 L167 G371 Y372 P417 M421	E158-L419 HydrophobicContact CB-CD1 3.52Å; E158-L419 HydrophobicContact CB-CG 4.42Å; E158-L419 HydrophobicContact CG-CD1 3.72Å; F163-L419 HydrophobicContact CB-CD1 3.88Å; W164-L419 HydrophobicContact CD2-CD2 4.19Å; W164-L419 HydrophobicContact CE3-CD2 3.75Å; W164-L419 HydrophobicContact CH2-CD2 3.75Å; W164-L419 HydrophobicContact CH2-CG 4.45Å; W164-L419 HydrophobicContact CZ2-CD2 4.18Å; W164-L419 HydrophobicContact CZ3-CD2 3.49Å; W164-L419 VanDerWaalsContact CZ3-CD2 3.49Å; L167-L419 HydrophobicContact CB-CD2 4.36Å; L167-L419 HydrophobicContact CD2-CD2 3.76Å; G371-L419 PolarHBondContact O-N 2.66Å; G371-L419 VanDerWaalsContact O-N 3.13Å; Y372-L419 WeakPolarHBondContact CA-O 3.37Å; P417-L419 PolarHBondContact O-N 3.06Å; L419-M421 HydrophobicContact CD2-CE 4.02Å; L419-M421 HydrophobicContact CD2-CG 4.3Å
420	V	87.3	Confident	87.3	Confident	3 Å²	3	14.3 Å²	14.3	2%	0.018	9%	0.086	C	C	.	.			trans	-89.1	115.6	169.6	-174.9	0	0	0	0	107.9	T54 P156 F157 E158 Y372 P373 I436	T54-V420 HydrophobicContact CG2-CB 4.46Å; T54-V420 HydrophobicContact CG2-CG2 4.13Å; P156-V420 HydrophobicContact CG-CG1 4.45Å; P156-V420 WeakPolarHBondContact O-CB 3.3Å; P156-V420 WeakPolarHBondContact O-CG1 3.11Å; F157-V420 WeakPolarHBondContact CA-O 3.5Å; E158-V420 PolarHBondContact N-O 3.23Å; Y372-V420 HydrophobicContact CD1-CB 4.45Å; Y372-V420 HydrophobicContact CD1-CG1 4.13Å; Y372-V420 HydrophobicContact CD1-CG2 4.35Å; Y372-V420 HydrophobicContact CE1-CB 4.44Å; Y372-V420 HydrophobicContact CE1-CG1 3.76Å; P373-V420 HydrophobicContact CG-CG2 3.88Å; V420-I436 HydrophobicContact CG1-CG2 4.02Å; V420-I436 HydrophobicContact CG2-CG2 4.01Å
421	M	89.8	Confident	87.5	Confident	3 Å²	3	13.1 Å²	13.1	2%	0.015	7%	0.073	C	C	.	.			trans	-89.5	153.9	176.6	-65.3	167.5	-179	0	0	109.8	I113 T155 W164 L167 C191 L194 V370 Y372 L419 S423	I113-M421 HydrophobicContact CG2-CB 4.44Å; I113-M421 HydrophobicContact CG2-CG 4.27Å; T155-M421 PolarHBondContact OG1-O 3.48Å; W164-M421 HydrophobicContact CH2-CG 4.27Å; L167-M421 HydrophobicContact CD2-CE 4.12Å; C191-M421 HydrophobicContact CB-SD 3.44Å; C191-M421 WeakPolarHBondContact CB-SD 3.34Å; L194-M421 HydrophobicContact CD1-CE 4.35Å; L194-M421 HydrophobicContact CD2-CE 4.16Å; V370-M421 HydrophobicContact CG1-CE 3.69Å; Y372-M421 HydrophobicContact CE2-CB 4.4Å; Y372-M421 PolarHBondContact OH-O 3.18Å; Y372-M421 VanDerWaalsContact OH-O 3.1Å; L419-M421 HydrophobicContact CD2-CE 4.02Å; L419-M421 HydrophobicContact CD2-CG 4.3Å; M421-S423 PolarHBondContact O-N 3.4Å
422	P	88.1	Confident	87.5	Confident	8 Å²	8	13.6 Å²	13.6	5%	0.052	8%	0.075	C	C	.	.			trans	-62.5	126.5	173.2	-17.5	29.7	0	0	0	111.2	L111 W139 L143 T155 F157	L111-P422 HydrophobicContact CD2-CB 4.06Å; W139-P422 HydrophobicContact CH2-CG 4.48Å; W139-P422 HydrophobicContact CZ2-CG 3.7Å; L143-P422 HydrophobicContact CD1-CB 4.23Å; L143-P422 HydrophobicContact CD1-CG 3.7Å; L143-P422 HydrophobicContact CD2-CB 4.43Å; T155-P422 WeakPolarHBondContact OG1-CA 3.38Å; F157-P422 HydrophobicContact CB-CG 3.95Å; F157-P422 HydrophobicContact CD1-CG 4.46Å; F157-P422 HydrophobicContact CG-CG 4.19Å
423	S	87.8	Confident	87.4	Confident	26 Å²	26	13.7 Å²	13.7	18%	0.182	8%	0.076	C	C	.	.			trans	-145.9	146.5	172	-176.5	0	0	0	0	108.5	L154 T155 M421	L154-S423 CarbonylContact C-O 3.59Å; L154-S423 WeakPolarHBondContact CA-O 3.36Å; T155-S423 PolarHBondContact N-O 3.47Å; T155-S423 PolarHBondContact OG1-N 2.67Å; T155-S423 PolarHBondContact OG1-O 2.92Å; M421-S423 PolarHBondContact O-N 3.4Å
424	F	86.9	Confident	87.3	Confident	19 Å²	19	14.6 Å²	14.6	8%	0.083	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-71.8	134.1	175	-64.7	-54.7	0	0	0	110.5	H104 N107 L111 L152 L154	H104-F424 HydrophobicContact CB-CB 4.02Å; H104-F424 HydrophobicContact CB-CD2 3.79Å; H104-F424 HydrophobicContact CB-CG 4.13Å; H104-F424 AromaticContact CD2-CG 3.95Å; H104-F424 AromaticContact CG-CG 3.93Å; H104-F424 WeakPolarHBondContact O-CD2 3.48Å; H104-F424 VanDerWaalsContact O-CE2 3.29Å; H104-F424 WeakPolarHBondContact O-CE2 3.48Å; N107-F424 HydrophobicContact CB-CE2 3.92Å; N107-F424 HydrophobicContact CB-CZ 3.62Å; L111-F424 HydrophobicContact CD1-CD1 4.38Å; L111-F424 HydrophobicContact CD1-CD2 3.4Å; L111-F424 VanDerWaalsContact CD1-CD2 3.4Å; L111-F424 HydrophobicContact CD1-CE1 4.37Å; L111-F424 HydrophobicContact CD1-CE2 3.42Å; L111-F424 VanDerWaalsContact CD1-CE2 3.42Å; L111-F424 HydrophobicContact CD1-CG 3.89Å; L111-F424 HydrophobicContact CD1-CZ 3.91Å; L111-F424 HydrophobicContact CD2-CD1 4.33Å; L111-F424 HydrophobicContact CD2-CE1 3.89Å; L111-F424 HydrophobicContact CD2-CE2 4.22Å; L111-F424 HydrophobicContact CD2-CZ 3.82Å; L111-F424 HydrophobicContact CG-CD2 4.16Å; L111-F424 HydrophobicContact CG-CE1 4.26Å; L111-F424 HydrophobicContact CG-CE2 3.68Å; L111-F424 HydrophobicContact CG-CZ 3.71Å; L152-F424 HydrophobicContact CB-CD1 4.13Å; L152-F424 HydrophobicContact CB-CE1 4.04Å; L152-F424 HydrophobicContact CD1-CD1 4.01Å; L152-F424 HydrophobicContact CD1-CE1 3.45Å; L152-F424 VanDerWaalsContact CD1-CE1 3.45Å; L152-F424 HydrophobicContact CD1-CZ 3.86Å; L152-F424 HydrophobicContact CG-CD1 4.46Å; L152-F424 HydrophobicContact CG-CE1 4.27Å; L154-F424 HydrophobicContact CD2-CD1 3.54Å; L154-F424 HydrophobicContact CD2-CE1 3.56Å
425	V	84.4	Confident	87.2	Confident	4 Å²	4	14.9 Å²	14.9	2%	0.024	9%	0.085	C	C	.	.			trans	-131.7	140.7	177.6	-168.4	0	0	0	0	109.2	I153 T155 L188 T427 E430 M431	I153-V425 PolarHBondContact O-N 3.45Å; T155-V425 HydrophobicContact CG2-CG2 3.44Å; T155-V425 VanDerWaalsContact CG2-CG2 3.44Å; L188-V425 HydrophobicContact CD1-CG2 4.36Å; V425-T427 WeakPolarHBondContact CG1-O 3.04Å; V425-T427 PolarHBondContact O-N 3.48Å; V425-E430 HydrophobicContact CG1-CB 3.75Å; V425-E430 HydrophobicContact CG1-CG 3.79Å; V425-E430 VanDerWaalsContact CG1-OE2 3.31Å; V425-E430 WeakPolarHBondContact CG1-OE2 3.42Å; V425-M431 HydrophobicContact CB-CE 3.68Å; V425-M431 HydrophobicContact CB-CG 4.37Å; V425-M431 HydrophobicContact CG1-CE 4.08Å; V425-M431 HydrophobicContact CG1-CG 3.89Å; V425-M431 HydrophobicContact CG2-CE 3.91Å; V425-M431 HydrophobicContact CG2-CG 4.3Å
426	S	82.9	Confident	87.2	Confident	24 Å²	24	15.1 Å²	15.1	17%	0.168	9%	0.086	C	C	.	.	S	Bend	trans	-67.2	-41.2	-175.6	-31.8	0	0	0	0	111.3	E430	S426-E430 VanDerWaalsContact CB-OE2 3.28Å; S426-E430 WeakPolarHBondContact CB-OE2 3.2Å; S426-E430 PolarHBondContact N-OE2 3.12Å; S426-E430 VanDerWaalsContact N-OE2 3.08Å; S426-E430 PolarHBondContact OG-OE2 2.8Å
427	T	86.1	Confident	87.3	Confident	16 Å²	16	15.5 Å²	15.5	10%	0.098	9%	0.088	C	C	.	.			trans	-148.2	158	-175.5	65	0	0	0	0	112.5	L92 V425 A429 E430	L92-T427 HydrophobicContact CD1-CG2 3.66Å; L92-T427 HydrophobicContact CG-CG2 3.93Å; V425-T427 WeakPolarHBondContact CG1-O 3.04Å; V425-T427 PolarHBondContact O-N 3.48Å; T427-A429 PolarHBondContact O-N 2.96Å; T427-A429 PolarHBondContact OG1-N 3.14Å; T427-E430 WeakPolarHBondContact O-CB 3.31Å; T427-E430 PolarHBondContact O-N 3.27Å; T427-E430 PolarHBondContact OG1-N 3.39Å
428	K	85.6	Confident	87.4	Confident	96 Å²	96	17.1 Å²	17.1	42%	0.417	10%	0.099	S	C	.	.	H	α-helix	trans	-63.6	-25.2	168.8	-178.2	162.2	175	138.8	0	113	E55 M431 I432 L437	E55-K428 IonicContact OE1-NZ 2.78Å; E55-K428 PolarHBondContact OE1-NZ 2.93Å; E55-K428 IonicContact OE2-NZ 2.88Å; E55-K428 PolarHBondContact OE2-NZ 3.09Å; K428-M431 PolarHBondContact O-N 3.21Å; K428-I432 HydrophobicContact CG-CD1 4.49Å; K428-I432 WeakPolarHBondContact O-CG1 3.44Å; K428-I432 PolarHBondContact O-N 3.19Å; K428-L437 HydrophobicContact CD-CD1 4.23Å; K428-L437 HydrophobicContact CG-CD1 3.82Å
429	A	88.7	Confident	87.8	Confident	9 Å²	9	17.3 Å²	17.3	7%	0.074	10%	0.096	C	C	.	.	H	α-helix	trans	-61.3	-43	175.5	0	0	0	0	0	112.2	T427 M431 I432 C433 P447 A448 L451	T427-A429 PolarHBondContact O-N 2.96Å; T427-A429 PolarHBondContact OG1-N 3.14Å; A429-M431 VanDerWaalsContact C-N 3.33Å; A429-M431 PolarHBondContact O-N 3.22Å; A429-I432 PolarHBondContact O-N 3.3Å; A429-C433 PolarHBondContact O-N 3.4Å; A429-C433 PolarHBondContact O-SG 3.43Å; A429-P447 HydrophobicContact CB-CB 4.01Å; A429-A448 HydrophobicContact CB-CB 4.43Å; A429-L451 HydrophobicContact CB-CD2 4.21Å
430	E	88.8	Confident	87.8	Confident	44 Å²	44	21.4 Å²	21.4	21%	0.206	12%	0.119	C	C	.	.	H	α-helix	trans	-59.4	-41.8	177.2	-174.1	169.8	-161.6	0	0	111.4	V425 S426 T427 I432 C433 S434 L451	V425-E430 HydrophobicContact CG1-CB 3.75Å; V425-E430 HydrophobicContact CG1-CG 3.79Å; V425-E430 VanDerWaalsContact CG1-OE2 3.31Å; V425-E430 WeakPolarHBondContact CG1-OE2 3.42Å; S426-E430 VanDerWaalsContact CB-OE2 3.28Å; S426-E430 WeakPolarHBondContact CB-OE2 3.2Å; S426-E430 PolarHBondContact N-OE2 3.12Å; S426-E430 VanDerWaalsContact N-OE2 3.08Å; S426-E430 PolarHBondContact OG-OE2 2.8Å; T427-E430 WeakPolarHBondContact O-CB 3.31Å; T427-E430 PolarHBondContact O-N 3.27Å; T427-E430 PolarHBondContact OG1-N 3.39Å; E430-I432 PolarHBondContact O-N 3.3Å; E430-C433 PolarHBondContact O-N 3.07Å; E430-S434 WeakPolarHBondContact O-CB 3.48Å; E430-S434 PolarHBondContact O-N 3.45Å; E430-S434 PolarHBondContact O-OG 2.85Å; E430-L451 HydrophobicContact CB-CD2 4.24Å
431	M	89.3	Confident	87.8	Confident	6 Å²	6	28.3 Å²	28.3	3%	0.03	15%	0.151	C	C	.	.	H	α-helix	trans	-64.6	-34.9	177.2	-53.1	170	-174.1	0	0	113.8	I153 L154 V425 K428 A429 G435 I436 L437	I153-M431 HydrophobicContact CG2-CE 3.39Å; L154-M431 WeakPolarHBondContact O-CE 3.37Å; V425-M431 HydrophobicContact CB-CE 3.68Å; V425-M431 HydrophobicContact CB-CG 4.37Å; V425-M431 HydrophobicContact CG1-CE 4.08Å; V425-M431 HydrophobicContact CG1-CG 3.89Å; V425-M431 HydrophobicContact CG2-CE 3.91Å; V425-M431 HydrophobicContact CG2-CG 4.3Å; K428-M431 PolarHBondContact O-N 3.21Å; A429-M431 VanDerWaalsContact C-N 3.33Å; A429-M431 PolarHBondContact O-N 3.22Å; M431-G435 PolarHBondContact O-N 3.28Å; M431-I436 PolarHBondContact O-N 3.42Å; M431-I436 VanDerWaalsContact O-N 3.08Å; M431-L437 HydrophobicContact CB-CD1 3.89Å; M431-L437 HydrophobicContact CB-CG 4.07Å; M431-L437 PolarHBondContact O-N 2.85Å; M431-L437 HydrophobicContact SD-CD1 4.07Å
432	I	90.3	Very high	87.6	Confident	12 Å²	12	29.1 Å²	29.1	6%	0.062	15%	0.154	C	C	.	.	H	α-helix	trans	-71.8	-44.4	176.4	-63.4	169.3	0	0	0	109.7	K428 A429 E430 S434 G435 L437 I439 A448 L514	K428-I432 HydrophobicContact CG-CD1 4.49Å; K428-I432 WeakPolarHBondContact O-CG1 3.44Å; K428-I432 PolarHBondContact O-N 3.19Å; A429-I432 PolarHBondContact O-N 3.3Å; E430-I432 PolarHBondContact O-N 3.3Å; I432-S434 VanDerWaalsContact C-N 3.29Å; I432-S434 PolarHBondContact O-N 2.86Å; I432-G435 PolarHBondContact O-N 2.98Å; I432-L437 HydrophobicContact CG1-CB 3.95Å; I432-L437 HydrophobicContact CG1-CD1 4.1Å; I432-I439 HydrophobicContact CG2-CG1 4.07Å; I432-A448 HydrophobicContact CB-CB 4.43Å; I432-A448 HydrophobicContact CG2-CB 4.26Å; I432-L514 HydrophobicContact CG2-CD1 4.33Å; I432-L514 HydrophobicContact CG2-CD2 4.33Å
433	C	90.8	Very high	87.4	Confident	5 Å²	5	40.6 Å²	40.6	3%	0.034	20%	0.197	C	C	.	.	H	α-helix	trans	-65.4	-32.7	178.4	-61.7	0	0	0	0	112.2	A429 E430 G435 Y517 V518	A429-C433 PolarHBondContact O-N 3.4Å; A429-C433 PolarHBondContact O-SG 3.43Å; E430-C433 PolarHBondContact O-N 3.07Å; C433-G435 VanDerWaalsContact C-N 3.27Å; C433-G435 PolarHBondContact O-N 3.35Å; C433-Y517 HydrophobicContact CB-CD1 4.22Å; C433-Y517 HydrophobicContact CB-CE1 3.85Å; C433-Y517 WeakPolarHBondContact O-CD1 3.44Å; C433-Y517 WeakPolarHBondContact O-CE1 3.4Å; C433-V518 WeakPolarHBondContact O-CG2 3.42Å
434	S	88.6	Confident	87.5	Confident	19 Å²	19	43 Å²	43	13%	0.133	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-5.1	173.2	-59.6	0	0	0	0	113.7	L188 E430 I432 I436	L188-S434 WeakPolarHBondContact CD2-OG 3.32Å; E430-S434 WeakPolarHBondContact O-CB 3.48Å; E430-S434 PolarHBondContact O-N 3.45Å; E430-S434 PolarHBondContact O-OG 2.85Å; I432-S434 VanDerWaalsContact C-N 3.29Å; I432-S434 PolarHBondContact O-N 2.86Å; S434-I436 VanDerWaalsContact C-N 3.28Å; S434-I436 PolarHBondContact O-N 3.37Å
435	G	87.7	Confident	87.7	Confident	5 Å²	5	43.1 Å²	43.1	5%	0.052	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	15.7	178.1	0	0	0	0	0	115.5	N374 M431 I432 C433	N374-G435 PolarHBondContact ND2-O 3.29Å; M431-G435 PolarHBondContact O-N 3.28Å; I432-G435 PolarHBondContact O-N 2.98Å; C433-G435 VanDerWaalsContact C-N 3.27Å; C433-G435 PolarHBondContact O-N 3.35Å
436	I	88.3	Confident	88	Confident	5 Å²	5	45.5 Å²	45.5	3%	0.026	22%	0.223	C	C	.	.	S	Bend	trans	-71.6	-45	172.9	-59.8	173.3	0	0	0	109.3	T155 P156 L188 F189 Y372 V420 M431 S434	T155-I436 HydrophobicContact CG2-CD1 4.32Å; P156-I436 HydrophobicContact CG-CG2 3.81Å; L188-I436 HydrophobicContact CD2-CD1 4.46Å; F189-I436 HydrophobicContact CE1-CD1 4.19Å; F189-I436 HydrophobicContact CE1-CG1 3.95Å; F189-I436 HydrophobicContact CZ-CG1 4.44Å; Y372-I436 HydrophobicContact CD1-CD1 4.25Å; Y372-I436 HydrophobicContact CD1-CG1 4.34Å; Y372-I436 HydrophobicContact CE1-CD1 4.18Å; V420-I436 HydrophobicContact CG1-CG2 4.02Å; V420-I436 HydrophobicContact CG2-CG2 4.01Å; M431-I436 PolarHBondContact O-N 3.42Å; M431-I436 VanDerWaalsContact O-N 3.08Å; S434-I436 VanDerWaalsContact C-N 3.28Å; S434-I436 PolarHBondContact O-N 3.37Å
437	L	87.3	Confident	88.4	Confident	8 Å²	8	45.2 Å²	45.2	4%	0.042	22%	0.22	C	C	.	.	S	Bend	trans	-91.1	141.5	176.9	-73.7	179.2	0	0	0	112.4	E55 P156 K428 M431 I432 I439	E55-L437 HydrophobicContact CG-CD2 3.83Å; E55-L437 WeakPolarHBondContact OE1-CD1 3.35Å; E55-L437 VanDerWaalsContact OE1-CD2 3.27Å; E55-L437 WeakPolarHBondContact OE1-CD2 3.48Å; P156-L437 HydrophobicContact CB-CD2 4.11Å; P156-L437 HydrophobicContact CG-CD2 3.67Å; P156-L437 HydrophobicContact CG-CG 4.12Å; K428-L437 HydrophobicContact CD-CD1 4.23Å; K428-L437 HydrophobicContact CG-CD1 3.82Å; M431-L437 HydrophobicContact CB-CD1 3.89Å; M431-L437 HydrophobicContact CB-CG 4.07Å; M431-L437 PolarHBondContact O-N 2.85Å; M431-L437 HydrophobicContact SD-CD1 4.07Å; I432-L437 HydrophobicContact CG1-CB 3.95Å; I432-L437 HydrophobicContact CG1-CD1 4.1Å; L437-I439 PolarHBondContact O-N 3.13Å; L437-I439 VanDerWaalsContact O-N 3.12Å
438	P	87.2	Confident	88.7	Confident	35 Å²	35	44.5 Å²	44.5	23%	0.227	22%	0.216	C	C	.	.			trans	-70.6	107.8	-178.2	27.3	-33.8	0	0	0	112.2	D440 Q441	P438-D440 PolarHBondContact O-N 3.22Å; P438-D440 VanDerWaalsContact O-N 3.11Å; P438-Q441 HydrophobicContact CB-CB 4.5Å; P438-Q441 HydrophobicContact CB-CG 4.24Å; P438-Q441 HydrophobicContact CG-CB 4.13Å; P438-Q441 HydrophobicContact CG-CG 4.12Å; P438-Q441 PolarHBondContact O-N 3.22Å
439	I	90.4	Very high	89.1	Confident	15 Å²	15	40 Å²	40	8%	0.077	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-50.2	-38	179.1	-64.2	164.6	0	0	0	112.6	I432 L437 Q441 M442 R511 L514 K515 V518	I432-I439 HydrophobicContact CG2-CG1 4.07Å; L437-I439 PolarHBondContact O-N 3.13Å; L437-I439 VanDerWaalsContact O-N 3.12Å; I439-Q441 PolarHBondContact O-N 3.29Å; I439-M442 HydrophobicContact CG2-SD 3.98Å; I439-M442 WeakPolarHBondContact O-CB 3.05Å; I439-M442 WeakPolarHBondContact O-CG 3.48Å; I439-M442 PolarHBondContact O-N 3.01Å; I439-R511 HydrophobicContact CG2-CB 4.2Å; I439-R511 HydrophobicContact CG2-CG 4.12Å; I439-L514 HydrophobicContact CD1-CB 4Å; I439-L514 HydrophobicContact CG1-CB 4.31Å; I439-L514 HydrophobicContact CG2-CB 3.97Å; I439-L514 HydrophobicContact CG2-CD1 4.41Å; I439-K515 HydrophobicContact CD1-CG 3.92Å; I439-K515 HydrophobicContact CG2-CG 4.34Å; I439-V518 HydrophobicContact CD1-CB 4.35Å; I439-V518 HydrophobicContact CD1-CG2 3.86Å
440	D	88.3	Confident	89.3	Confident	88 Å²	88	40.3 Å²	40.3	47%	0.471	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-66.7	-25.9	-177.6	-69.6	-53.7	0	0	0	113.7	P438 R511 K515	P438-D440 PolarHBondContact O-N 3.22Å; P438-D440 VanDerWaalsContact O-N 3.11Å; D440-R511 PolarHBondContact O-NE 2.98Å; D440-K515 IonicContact OD1-NZ 3.17Å; D440-K515 PolarHBondContact OD1-NZ 3.47Å; D440-K515 WeakPolarHBondContact OD2-CE 3.48Å; D440-K515 IonicContact OD2-NZ 2.73Å; D440-K515 PolarHBondContact OD2-NZ 2.93Å
441	Q	86	Confident	89.5	Confident	148 Å²	148	40 Å²	40	69%	0.692	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-93.7	-0.2	-178.3	-55.8	179.8	10.3	0	0	113.4	P438 I439 R443	P438-Q441 HydrophobicContact CB-CB 4.5Å; P438-Q441 HydrophobicContact CB-CG 4.24Å; P438-Q441 HydrophobicContact CG-CB 4.13Å; P438-Q441 HydrophobicContact CG-CG 4.12Å; P438-Q441 PolarHBondContact O-N 3.22Å; I439-Q441 PolarHBondContact O-N 3.29Å; Q441-R443 PolarHBondContact O-N 3.32Å
442	M	86.1	Confident	89.6	Confident	19 Å²	19	39.7 Å²	39.7	9%	0.094	20%	0.196	C	C	.	.			trans	-57.4	135.2	178.7	74.1	-167.8	-57.1	0	0	111.7	I439 D444 H445 R511 L514	I439-M442 HydrophobicContact CG2-SD 3.98Å; I439-M442 WeakPolarHBondContact O-CB 3.05Å; I439-M442 WeakPolarHBondContact O-CG 3.48Å; I439-M442 PolarHBondContact O-N 3.01Å; M442-D444 WeakPolarHBondContact CE-O 3.33Å; M442-H445 VanDerWaalsContact CE-CA 3.43Å; M442-H445 HydrophobicContact CE-CB 3.44Å; M442-H445 VanDerWaalsContact CE-CB 3.44Å; M442-H445 HydrophobicContact SD-CB 4.32Å; M442-R511 HydrophobicContact SD-CG 3.84Å; M442-L514 HydrophobicContact CE-CD1 3.32Å; M442-L514 HydrophobicContact SD-CD1 3.7Å
443	R	84.9	Confident	89.7	Confident	250 Å²	250	39.3 Å²	39.3	94%	0.943	20%	0.195	S	C	*	.	S	Bend	trans	-92.9	-48	175.3	-64.3	-175.6	-176.5	178.2	2.4	111.7	Q441	Q441-R443 PolarHBondContact O-N 3.32Å
444	D	88.5	Confident	89.6	Confident	76 Å²	76	44 Å²	44	41%	0.406	22%	0.216	S	C	.	.			trans	-104.9	140.8	173	-174	10.9	0	0	0	109.7	M442 V446 P447	M442-D444 WeakPolarHBondContact CE-O 3.33Å; D444-V446 PolarHBondContact OD1-N 2.78Å; D444-P447 WeakPolarHBondContact OD1-CD 3.06Å; D444-P447 WeakPolarHBondContact OD2-CD 3.42Å; D444-P447 WeakPolarHBondContact OD2-CG 3.28Å
445	H	91.3	Very high	89.6	Confident	22 Å²	22	44.8 Å²	44.8	10%	0.102	22%	0.22	C	C	.	.			trans	-125.3	-16	-175.7	65.9	-73.3	0	0	0	113.3	M442 V449 A510	M442-H445 VanDerWaalsContact CE-CA 3.43Å; M442-H445 HydrophobicContact CE-CB 3.44Å; M442-H445 VanDerWaalsContact CE-CB 3.44Å; M442-H445 HydrophobicContact SD-CB 4.32Å; H445-V449 WeakPolarHBondContact O-CG2 3.27Å; H445-V449 PolarHBondContact O-N 3.32Å; H445-V449 VanDerWaalsContact O-N 3.13Å; H445-A510 HydrophobicContact CB-CB 3.76Å
446	V	92.1	Very high	89.8	Confident	53 Å²	53	44.6 Å²	44.6	32%	0.321	22%	0.218	S	C	.	.	H	α-helix	trans	-63.6	-49.4	-176.8	172.2	0	0	0	0	110.8	D444 A448 V449 S450	D444-V446 PolarHBondContact OD1-N 2.78Å; V446-A448 PolarHBondContact O-N 3.11Å; V446-V449 PolarHBondContact O-N 3.05Å; V446-S450 WeakPolarHBondContact O-CB 3.47Å; V446-S450 PolarHBondContact O-N 3.1Å; V446-S450 PolarHBondContact O-OG 3.44Å
447	P	91.2	Very high	89.9	Confident	18 Å²	18	46.8 Å²	46.8	12%	0.117	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-37.6	-177.9	-24.7	37.2	0	0	0	113.7	A89 A429 D444 L451	A89-P447 VanDerWaalsContact O-CG 3.24Å; A89-P447 WeakPolarHBondContact O-CG 3.35Å; A429-P447 HydrophobicContact CB-CB 4.01Å; D444-P447 WeakPolarHBondContact OD1-CD 3.06Å; D444-P447 WeakPolarHBondContact OD2-CD 3.42Å; D444-P447 WeakPolarHBondContact OD2-CG 3.28Å; P447-L451 WeakPolarHBondContact O-CB 3.38Å; P447-L451 PolarHBondContact O-N 3.07Å
448	A	92.4	Very high	90	Very high	2 Å²	2	48.3 Å²	48.3	2%	0.017	24%	0.238	C	C	.	.	H	α-helix	trans	-68.7	-40.8	179.6	0	0	0	0	0	112.1	A429 I432 V446 I452 L514	A429-A448 HydrophobicContact CB-CB 4.43Å; I432-A448 HydrophobicContact CB-CB 4.43Å; I432-A448 HydrophobicContact CG2-CB 4.26Å; V446-A448 PolarHBondContact O-N 3.11Å; A448-I452 PolarHBondContact O-N 3.44Å; A448-L514 HydrophobicContact CB-CD1 4.18Å; A448-L514 HydrophobicContact CB-CD2 3.84Å
449	V	94.2	Very high	90.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-73.9	-38.4	175.8	179.4	0	0	0	0	111.1	H445 V446 L451 I452 C453 L487 L488 A510 L514	H445-V449 WeakPolarHBondContact O-CG2 3.27Å; H445-V449 PolarHBondContact O-N 3.32Å; H445-V449 VanDerWaalsContact O-N 3.13Å; V446-V449 PolarHBondContact O-N 3.05Å; V449-L451 VanDerWaalsContact C-N 3.28Å; V449-L451 PolarHBondContact O-N 3.39Å; V449-I452 WeakPolarHBondContact O-CB 3.36Å; V449-I452 PolarHBondContact O-N 2.83Å; V449-I452 VanDerWaalsContact O-N 3.12Å; V449-C453 PolarHBondContact O-N 3.42Å; V449-C453 PolarHBondContact O-SG 3.31Å; V449-C453 VanDerWaalsContact O-SG 3.4Å; V449-L487 HydrophobicContact CG1-CD2 4.01Å; V449-L488 HydrophobicContact CB-CD1 4.35Å; V449-L488 HydrophobicContact CG1-CD1 4.13Å; V449-L488 HydrophobicContact CG1-CD2 4.3Å; V449-L488 HydrophobicContact CG1-CG 4.05Å; V449-L488 HydrophobicContact CG2-CD1 4.28Å; V449-L488 HydrophobicContact CG2-CD2 4.24Å; V449-A510 HydrophobicContact CG2-CB 3.72Å; V449-L514 HydrophobicContact CG2-CD1 4.38Å; V449-L514 HydrophobicContact CG2-CG 4.45Å
450	S	92.6	Very high	90.1	Very high	17 Å²	17	47.6 Å²	47.6	12%	0.119	23%	0.231	C	C	.	.	H	α-helix	trans	-62.6	-34.8	175.4	-64.2	0	0	0	0	112.2	V446 C453 Q454 S484	V446-S450 WeakPolarHBondContact O-CB 3.47Å; V446-S450 PolarHBondContact O-N 3.1Å; V446-S450 PolarHBondContact O-OG 3.44Å; S450-C453 PolarHBondContact O-N 3.46Å; S450-Q454 WeakPolarHBondContact O-CG 3.44Å; S450-Q454 PolarHBondContact O-N 3.42Å; S450-Q454 VanDerWaalsContact O-N 3.11Å; S450-S484 VanDerWaalsContact OG-CB 3.31Å; S450-S484 WeakPolarHBondContact OG-CB 3.28Å; S450-S484 PolarHBondContact OG-OG 3.36Å
451	L	91.4	Very high	90.3	Very high	37 Å²	37	43.4 Å²	43.4	19%	0.194	21%	0.208	C	C	.	.	H	α-helix	trans	-63	-43.2	172.3	-177.7	61.4	0	0	0	111.5	A429 E430 P447 V449 C453 Q454 T455	A429-L451 HydrophobicContact CB-CD2 4.21Å; E430-L451 HydrophobicContact CB-CD2 4.24Å; P447-L451 WeakPolarHBondContact O-CB 3.38Å; P447-L451 PolarHBondContact O-N 3.07Å; V449-L451 VanDerWaalsContact C-N 3.28Å; V449-L451 PolarHBondContact O-N 3.39Å; L451-C453 VanDerWaalsContact C-N 3.34Å; L451-C453 PolarHBondContact O-N 3.22Å; L451-Q454 PolarHBondContact O-N 3.01Å; L451-Q454 VanDerWaalsContact O-N 3.14Å; L451-T455 HydrophobicContact CD1-CG2 4.36Å; L451-T455 PolarHBondContact O-N 3.12Å; L451-T455 PolarHBondContact O-OG1 3.38Å
452	I	92.9	Very high	90.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.9	-40.4	174.4	-70.3	175	0	0	0	111.5	A448 V449 Q454 T455 I456 L461 L514 Y517 L522	A448-I452 PolarHBondContact O-N 3.44Å; V449-I452 WeakPolarHBondContact O-CB 3.36Å; V449-I452 PolarHBondContact O-N 2.83Å; V449-I452 VanDerWaalsContact O-N 3.12Å; I452-Q454 PolarHBondContact O-N 3.1Å; I452-T455 PolarHBondContact O-N 3Å; I452-T455 PolarHBondContact O-OG1 3.5Å; I452-I456 HydrophobicContact CG2-CD1 4.14Å; I452-I456 HydrophobicContact CG2-CG1 4.42Å; I452-I456 WeakPolarHBondContact O-CB 3.17Å; I452-I456 PolarHBondContact O-N 3.28Å; I452-L461 HydrophobicContact CG2-CD2 4.43Å; I452-L514 HydrophobicContact CD1-CD2 3.59Å; I452-L514 HydrophobicContact CD1-CG 4.41Å; I452-Y517 HydrophobicContact CD1-CD1 4.3Å; I452-Y517 HydrophobicContact CD1-CD2 3.85Å; I452-Y517 HydrophobicContact CD1-CG 3.72Å; I452-Y517 HydrophobicContact CG1-CD2 3.86Å; I452-Y517 HydrophobicContact CG1-CE2 4.08Å; I452-Y517 HydrophobicContact CG1-CG 4.15Å; I452-Y517 HydrophobicContact CG2-CD2 4.35Å; I452-L522 HydrophobicContact CG2-CD1 4.23Å
453	C	91.8	Very high	90.7	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.02	20%	0.195	C	C	.	.	H	α-helix	trans	-65.6	-24.4	175.9	-65.8	0	0	0	0	113.7	V449 S450 L451 P481 P482 L487	V449-C453 PolarHBondContact O-N 3.42Å; V449-C453 PolarHBondContact O-SG 3.31Å; V449-C453 VanDerWaalsContact O-SG 3.4Å; S450-C453 PolarHBondContact O-N 3.46Å; L451-C453 VanDerWaalsContact C-N 3.34Å; L451-C453 PolarHBondContact O-N 3.22Å; C453-P481 VanDerWaalsContact O-CB 3.27Å; C453-P481 WeakPolarHBondContact O-CB 3.49Å; C453-P482 HydrophobicContact CB-CG 4.09Å; C453-P482 WeakPolarHBondContact CB-O 3.38Å; C453-P482 PolarHBondContact SG-O 3.16Å; C453-P482 VanDerWaalsContact SG-O 3.4Å; C453-L487 VanDerWaalsContact SG-CD2 3.59Å
454	Q	89.3	Confident	91	Very high	105 Å²	105	28.1 Å²	28.1	49%	0.491	16%	0.16	S	C	.	.	H	α-helix	trans	-85.3	-29.5	174.9	-73.4	-179.2	-14.7	0	0	113	L91 S450 L451 I452 P481	L91-Q454 VanDerWaalsContact CD1-NE2 3.32Å; S450-Q454 WeakPolarHBondContact O-CG 3.44Å; S450-Q454 PolarHBondContact O-N 3.42Å; S450-Q454 VanDerWaalsContact O-N 3.11Å; L451-Q454 PolarHBondContact O-N 3.01Å; L451-Q454 VanDerWaalsContact O-N 3.14Å; I452-Q454 PolarHBondContact O-N 3.1Å; Q454-P481 HydrophobicContact CG-CG 4.4Å
455	T	88.8	Confident	91.1	Very high	35 Å²	35	25.4 Å²	25.4	22%	0.215	15%	0.145	C	C	.	.	H	α-helix	trans	-90.8	-26.3	180	57.6	0	0	0	0	113.8	L451 I452 F524	L451-T455 HydrophobicContact CD1-CG2 4.36Å; L451-T455 PolarHBondContact O-N 3.12Å; L451-T455 PolarHBondContact O-OG1 3.38Å; I452-T455 PolarHBondContact O-N 3Å; I452-T455 PolarHBondContact O-OG1 3.5Å; T455-F524 VanDerWaalsContact O-CD2 3.3Å; T455-F524 WeakPolarHBondContact O-CD2 3.31Å; T455-F524 WeakPolarHBondContact O-CE2 3.34Å
456	I	90.6	Very high	91	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	17%	0.174	C	C	.	.	S	Bend	trans	-111.6	119.8	-179.6	-57.3	-170.7	0	0	0	110	I452 V460 L461 Y517 L522 F524	I452-I456 HydrophobicContact CG2-CD1 4.14Å; I452-I456 HydrophobicContact CG2-CG1 4.42Å; I452-I456 WeakPolarHBondContact O-CB 3.17Å; I452-I456 PolarHBondContact O-N 3.28Å; I456-V460 HydrophobicContact CG2-CB 3.72Å; I456-V460 HydrophobicContact CG2-CG1 3.72Å; I456-L461 HydrophobicContact CB-CD2 4.2Å; I456-L461 HydrophobicContact CB-CG 4.35Å; I456-L461 HydrophobicContact CG2-CD2 3.87Å; I456-L461 HydrophobicContact CG2-CG 3.85Å; I456-Y517 HydrophobicContact CD1-CD2 3.86Å; I456-Y517 HydrophobicContact CD1-CE2 3.84Å; I456-Y517 HydrophobicContact CG1-CE2 4.37Å; I456-L522 HydrophobicContact CD1-CB 3.71Å; I456-L522 HydrophobicContact CD1-CD1 4.35Å; I456-L522 HydrophobicContact CD1-CD2 4.2Å; I456-L522 HydrophobicContact CD1-CG 4.32Å; I456-F524 HydrophobicContact CG1-CB 4.47Å
457	P	90.3	Very high	90.9	Very high	50 Å²	50	25.9 Å²	25.9	33%	0.325	16%	0.162	S	C	.	.			trans	-57.8	150	176.7	-27.9	36.3	0	0	0	114.5	H459 V460 L461	P457-H459 VanDerWaalsContact C-N 3.34Å; P457-H459 WeakPolarHBondContact CB-CE1 3.42Å; P457-H459 WeakPolarHBondContact CB-ND1 3.2Å; P457-H459 PolarHBondContact O-N 3Å; P457-V460 HydrophobicContact CB-CG2 4.31Å; P457-V460 WeakPolarHBondContact O-CB 3.38Å; P457-V460 PolarHBondContact O-N 3.05Å; P457-L461 PolarHBondContact O-N 3.27Å
458	R	89.8	Confident	90.8	Very high	41 Å²	41	31.2 Å²	31.2	16%	0.155	19%	0.19	C	C	.	.	H	α-helix	trans	-50.6	-49.2	-178.1	-178.1	-179	-72.4	124.7	6	112.5	V460 L461 E462 I469 P478 R480	R458-V460 PolarHBondContact O-N 2.97Å; R458-L461 WeakPolarHBondContact O-CB 3.27Å; R458-L461 PolarHBondContact O-N 3.18Å; R458-L461 VanDerWaalsContact O-N 3.09Å; R458-E462 HydrophobicContact CG-CG 4.27Å; R458-E462 WeakPolarHBondContact O-CG 3.4Å; R458-E462 PolarHBondContact O-N 3.49Å; R458-I469 HydrophobicContact CG-CD1 4.47Å; R458-P478 PolarHBondContact NH1-O 3.3Å; R458-R480 PolarHBondContact NH2-O 3.42Å
459	H	88.5	Confident	90.6	Very high	30 Å²	30	31.2 Å²	31.2	14%	0.139	19%	0.189	C	C	.	.	H	α-helix	trans	-62.2	-28.9	-177.4	63.2	-80.5	0	0	0	113.5	P457 G463 Q544	P457-H459 VanDerWaalsContact C-N 3.34Å; P457-H459 WeakPolarHBondContact CB-CE1 3.42Å; P457-H459 WeakPolarHBondContact CB-ND1 3.2Å; P457-H459 PolarHBondContact O-N 3Å; H459-G463 PolarHBondContact O-N 2.58Å; H459-Q544 VanDerWaalsContact CD2-CG 3.44Å; H459-Q544 WeakPolarHBondContact CD2-CG 3.44Å; H459-Q544 VanDerWaalsContact NE2-CG 3.33Å; H459-Q544 WeakPolarHBondContact NE2-CG 3.45Å
460	V	90.9	Very high	90.1	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.024	22%	0.218	C	C	.	.	H	α-helix	trans	-74.3	-41.2	175.3	-178.3	0	0	0	0	110.7	I456 P457 R458 T464 H540 F543	I456-V460 HydrophobicContact CG2-CB 3.72Å; I456-V460 HydrophobicContact CG2-CG1 3.72Å; P457-V460 HydrophobicContact CB-CG2 4.31Å; P457-V460 WeakPolarHBondContact O-CB 3.38Å; P457-V460 PolarHBondContact O-N 3.05Å; R458-V460 PolarHBondContact O-N 2.97Å; V460-T464 WeakPolarHBondContact O-CB 3.45Å; V460-T464 PolarHBondContact O-N 2.85Å; V460-T464 PolarHBondContact O-OG1 3.31Å; V460-H540 HydrophobicContact CG2-CB 3.74Å; V460-F543 HydrophobicContact CB-CD2 4.34Å; V460-F543 HydrophobicContact CG1-CD2 4.05Å; V460-F543 HydrophobicContact CG1-CE2 4.01Å; V460-F543 HydrophobicContact CG2-CD2 4.08Å
461	L	91.8	Very high	89.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-47.2	176.2	-64.8	169.1	0	0	0	111.1	I452 I456 P457 R458 T464 Y465 I469 P482 L487 L522	I452-L461 HydrophobicContact CG2-CD2 4.43Å; I456-L461 HydrophobicContact CB-CD2 4.2Å; I456-L461 HydrophobicContact CB-CG 4.35Å; I456-L461 HydrophobicContact CG2-CD2 3.87Å; I456-L461 HydrophobicContact CG2-CG 3.85Å; P457-L461 PolarHBondContact O-N 3.27Å; R458-L461 WeakPolarHBondContact O-CB 3.27Å; R458-L461 PolarHBondContact O-N 3.18Å; R458-L461 VanDerWaalsContact O-N 3.09Å; L461-T464 PolarHBondContact O-N 2.69Å; L461-Y465 WeakPolarHBondContact O-CD2 3.34Å; L461-Y465 PolarHBondContact O-N 3.31Å; L461-Y465 VanDerWaalsContact O-N 3.14Å; L461-I469 HydrophobicContact CB-CD1 3.91Å; L461-I469 HydrophobicContact CD1-CD1 4.28Å; L461-P482 HydrophobicContact CD1-CG 3.95Å; L461-L487 HydrophobicContact CB-CD1 4.48Å; L461-L487 HydrophobicContact CD1-CD1 4.47Å; L461-L487 HydrophobicContact CD1-CD2 4.28Å; L461-L487 HydrophobicContact CD2-CD2 4.41Å; L461-L522 HydrophobicContact CD2-CD1 4.13Å; L461-L522 HydrophobicContact CD2-CD2 3.91Å
462	E	91.5	Very high	89.3	Confident	21 Å²	21	42.7 Å²	42.7	10%	0.098	24%	0.238	C	C	.	.	H	α-helix	trans	-63.1	-49.2	177.9	-68.1	-178.2	144.7	0	0	111.2	R458 T464 Y465 G466 I467 I469	R458-E462 HydrophobicContact CG-CG 4.27Å; R458-E462 WeakPolarHBondContact O-CG 3.4Å; R458-E462 PolarHBondContact O-N 3.49Å; E462-T464 VanDerWaalsContact C-N 3.34Å; E462-T464 PolarHBondContact O-N 2.97Å; E462-Y465 PolarHBondContact O-N 3.07Å; E462-G466 WeakPolarHBondContact O-CA 3.41Å; E462-G466 PolarHBondContact O-N 3.43Å; E462-I467 WeakPolarHBondContact CA-O 3.48Å; E462-I467 VanDerWaalsContact CB-O 3.29Å; E462-I467 WeakPolarHBondContact CB-O 3.37Å; E462-I467 WeakPolarHBondContact CG-O 3.43Å; E462-I467 PolarHBondContact O-N 3.45Å; E462-I469 HydrophobicContact CG-CB 4.31Å; E462-I469 HydrophobicContact CG-CD1 3.87Å; E462-I469 HydrophobicContact CG-CG1 3.83Å; E462-I469 WeakPolarHBondContact OE1-CB 3.18Å; E462-I469 PolarHBondContact OE1-N 2.77Å
463	G	89.5	Confident	88.8	Confident	39 Å²	39	51 Å²	51	40%	0.402	27%	0.27	S	S	.	.	H	α-helix	trans	-66.8	-28	178.7	0	0	0	0	0	115	H459	H459-G463 PolarHBondContact O-N 2.58Å
464	T	90.6	Very high	88	Confident	36 Å²	36	60.9 Å²	60.9	22%	0.221	32%	0.315	C	S	.	.	H	α-helix	trans	-80.6	-35.6	178.5	-60.4	0	0	0	0	112.7	V460 L461 E462 K521 L522	V460-T464 WeakPolarHBondContact O-CB 3.45Å; V460-T464 PolarHBondContact O-N 2.85Å; V460-T464 PolarHBondContact O-OG1 3.31Å; L461-T464 PolarHBondContact O-N 2.69Å; E462-T464 VanDerWaalsContact C-N 3.34Å; E462-T464 PolarHBondContact O-N 2.97Å; T464-K521 HydrophobicContact CG2-CG 4.29Å; T464-L522 HydrophobicContact CG2-CD2 3.93Å
465	Y	91.4	Very high	87.5	Confident	20 Å²	20	62 Å²	62	8%	0.078	32%	0.324	C	S	.	.	H	α-helix	trans	-100.8	-16.8	-177.7	-68.3	-62.8	0	0	0	114.4	L461 E462 I467 Y491 I513 D516 L522	L461-Y465 WeakPolarHBondContact O-CD2 3.34Å; L461-Y465 PolarHBondContact O-N 3.31Å; L461-Y465 VanDerWaalsContact O-N 3.14Å; E462-Y465 PolarHBondContact O-N 3.07Å; Y465-I467 VanDerWaalsContact C-N 3.29Å; Y465-I467 HydrophobicContact CD2-CD1 4.22Å; Y465-I467 HydrophobicContact CG-CD1 4.46Å; Y465-Y491 AromaticContact CD1-CD2 3.89Å; Y465-Y491 HydrophobicContact CD1-CD2 3.89Å; Y465-Y491 AromaticContact CD1-CE2 3.5Å; Y465-Y491 HydrophobicContact CD1-CE2 3.5Å; Y465-Y491 HydrophobicContact CE1-CD2 4.24Å; Y465-Y491 AromaticContact CE1-CE2 3.7Å; Y465-Y491 HydrophobicContact CE1-CE2 3.7Å; Y465-Y491 HydrophobicContact CG-CD2 4.09Å; Y465-Y491 HydrophobicContact CG-CE2 4.17Å; Y465-I513 HydrophobicContact CE2-CG1 4.46Å; Y465-D516 WeakPolarHBondContact CE1-OD2 3.37Å; Y465-L522 HydrophobicContact CE2-CD1 3.86Å; Y465-L522 HydrophobicContact CE2-CD2 3.92Å; Y465-L522 HydrophobicContact CE2-CG 4.11Å; Y465-L522 WeakPolarHBondContact OH-CD1 3.19Å
466	G	89.7	Confident	87.1	Confident	69 Å²	69	63.7 Å²	63.7	71%	0.711	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	28.9	-171.1	0	0	0	0	0	112.6	E462	E462-G466 WeakPolarHBondContact O-CA 3.41Å; E462-G466 PolarHBondContact O-N 3.43Å
467	I	90.3	Very high	86.6	Confident	15 Å²	15	68.4 Å²	68.4	8%	0.077	36%	0.355	C	S	.	.			trans	-103.2	152.6	177.3	63.2	-174.8	0	0	0	110.1	E462 Y465 I469 L487 A490 M494	E462-I467 WeakPolarHBondContact CA-O 3.48Å; E462-I467 VanDerWaalsContact CB-O 3.29Å; E462-I467 WeakPolarHBondContact CB-O 3.37Å; E462-I467 WeakPolarHBondContact CG-O 3.43Å; E462-I467 PolarHBondContact O-N 3.45Å; Y465-I467 VanDerWaalsContact C-N 3.29Å; Y465-I467 HydrophobicContact CD2-CD1 4.22Å; Y465-I467 HydrophobicContact CG-CD1 4.46Å; I467-I469 HydrophobicContact CD1-CD1 4.39Å; I467-I469 HydrophobicContact CD1-CG1 4.08Å; I467-I469 HydrophobicContact CG1-CG1 4.15Å; I467-L487 HydrophobicContact CD1-CD1 3.69Å; I467-A490 HydrophobicContact CB-CB 4.49Å; I467-A490 HydrophobicContact CD1-CB 4.38Å; I467-M494 HydrophobicContact CG2-CB 3.99Å; I467-M494 HydrophobicContact CG2-CE 3.95Å; I467-M494 HydrophobicContact CG2-CG 4.22Å; I467-M494 HydrophobicContact CG2-SD 3.42Å; I467-M494 WeakPolarHBondContact CG2-SD 3.25Å
468	N	88.1	Confident	86	Confident	131 Å²	131	70.4 Å²	70.4	70%	0.701	37%	0.368	S	S	*	.			trans	-103.3	115.7	166.9	-176	20.1	0	0	0	107.2
469	I	88.4	Confident	85.5	Confident	1 Å²	1	75.5 Å²	75.5	1%	0.005	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-85.7	139.2	177.7	-58.3	171.5	0	0	0	107.3	R458 L461 E462 I467 R471 P482 E486 L487	R458-I469 HydrophobicContact CG-CD1 4.47Å; L461-I469 HydrophobicContact CB-CD1 3.91Å; L461-I469 HydrophobicContact CD1-CD1 4.28Å; E462-I469 HydrophobicContact CG-CB 4.31Å; E462-I469 HydrophobicContact CG-CD1 3.87Å; E462-I469 HydrophobicContact CG-CG1 3.83Å; E462-I469 WeakPolarHBondContact OE1-CB 3.18Å; E462-I469 PolarHBondContact OE1-N 2.77Å; I467-I469 HydrophobicContact CD1-CD1 4.39Å; I467-I469 HydrophobicContact CD1-CG1 4.08Å; I467-I469 HydrophobicContact CG1-CG1 4.15Å; I469-R471 PolarHBondContact O-N 2.67Å; I469-R471 VanDerWaalsContact O-N 3.12Å; I469-P482 HydrophobicContact CD1-CG 4.49Å; I469-P482 HydrophobicContact CG2-CB 3.84Å; I469-E486 HydrophobicContact CG2-CB 3.96Å; I469-L487 HydrophobicContact CD1-CD1 3.85Å; I469-L487 HydrophobicContact CG1-CD1 4.47Å
470	I	84.9	Confident	85.4	Confident	115 Å²	115	76.9 Å²	76.9	59%	0.59	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-60.6	121.5	179.5	-60.1	174.5	0	0	0	108
471	R	82.4	Confident	85.2	Confident	158 Å²	158	79.9 Å²	79.9	60%	0.596	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-68.4	151.7	176.3	-68.1	-171.4	176.7	-143.8	-4.9	110	I469 E547	I469-R471 PolarHBondContact O-N 2.67Å; I469-R471 VanDerWaalsContact O-N 3.12Å; R471-E547 IonicContact NH2-OE1 2.74Å
472	P	84.1	Confident	85.1	Confident	22 Å²	22	80.1 Å²	80.1	14%	0.143	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-53.1	151.6	172	-23	34.6	0	0	0	110.5	E476 R480	P472-E476 HydrophobicContact CB-CB 3.88Å; P472-R480 HydrophobicContact CB-CG 4.32Å; P472-R480 HydrophobicContact CG-CG 3.72Å
473	R	81.6	Confident	85.1	Confident	176 Å²	176	81.5 Å²	81.5	66%	0.664	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-72.1	164.8	176.1	-62.5	178.3	176.2	173.2	2.3	110.4	D475 E476	R473-D475 WeakPolarHBondContact CB-OD1 3.35Å; R473-D475 PolarHBondContact O-N 2.56Å; R473-D475 VanDerWaalsContact O-N 3.11Å; R473-E476 PolarHBondContact O-N 3.42Å
474	E	74.9	Confident	85.2	Confident	209 Å²	209	79.7 Å²	79.7	98%	0.977	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.2	179.1	-61.4	179.1	174.7	0	0	113.7
475	D	79.8	Confident	85.3	Confident	128 Å²	128	83.4 Å²	83.4	68%	0.684	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-4.1	172.8	57.1	-50.3	0	0	0	114.6	R473	R473-D475 WeakPolarHBondContact CB-OD1 3.35Å; R473-D475 PolarHBondContact O-N 2.56Å; R473-D475 VanDerWaalsContact O-N 3.11Å
476	E	80.7	Confident	85.3	Confident	72 Å²	72	84.2 Å²	84.2	34%	0.336	43%	0.434	S	S	.	.	S	Bend	trans	-109.9	161.7	176.8	-68.9	178.4	-162.3	0	0	111.6	P472 R473 P478 R480	P472-E476 HydrophobicContact CB-CB 3.88Å; R473-E476 PolarHBondContact O-N 3.42Å; E476-P478 WeakPolarHBondContact O-CD 3.46Å; E476-R480 IonicContact OE2-CZ 2.91Å; E476-R480 VanDerWaalsContact OE2-CZ 3.27Å; E476-R480 IonicContact OE2-NE 3.21Å; E476-R480 PolarHBondContact OE2-NE 3.37Å; E476-R480 IonicContact OE2-NH2 3.1Å; E476-R480 PolarHBondContact OE2-NH2 3.02Å
477	D	79.8	Confident	85.6	Confident	100 Å²	100	80.9 Å²	80.9	54%	0.535	40%	0.4	S	S	.	.			trans	-62.2	119.3	173.8	-177.5	-6.5	0	0	0	110.8	D479 R480	D477-D479 PolarHBondContact O-N 3.44Å; D477-D479 PolarHBondContact OD1-N 2.96Å; D477-D479 VanDerWaalsContact OD1-N 3.1Å; D477-R480 HydrophobicContact CB-CB 4.34Å; D477-R480 WeakPolarHBondContact O-CG 3.29Å; D477-R480 PolarHBondContact O-N 2.91Å
478	P	77.3	Confident	85.8	Confident	91 Å²	91	80.2 Å²	80.2	59%	0.591	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-34.6	-179	-25.8	35.2	0	0	0	114	R458 E476 R480	R458-P478 PolarHBondContact NH1-O 3.3Å; E476-P478 WeakPolarHBondContact O-CD 3.46Å; P478-R480 VanDerWaalsContact C-N 3.33Å
479	D	79.2	Confident	86.1	Confident	148 Å²	148	75.5 Å²	75.5	79%	0.791	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	0.7	-173.8	-69.5	-33	0	0	0	112.7	D477	D477-D479 PolarHBondContact O-N 3.44Å; D477-D479 PolarHBondContact OD1-N 2.96Å; D477-D479 VanDerWaalsContact OD1-N 3.1Å
480	R	86.4	Confident	86.4	Confident	60 Å²	60	76.2 Å²	76.2	23%	0.226	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-60.4	142.9	178.5	83.7	166.1	-177.4	82.6	-7.7	111.7	R458 P472 E476 D477 P478 T483 E486	R458-R480 PolarHBondContact NH2-O 3.42Å; P472-R480 HydrophobicContact CB-CG 4.32Å; P472-R480 HydrophobicContact CG-CG 3.72Å; E476-R480 IonicContact OE2-CZ 2.91Å; E476-R480 VanDerWaalsContact OE2-CZ 3.27Å; E476-R480 IonicContact OE2-NE 3.21Å; E476-R480 PolarHBondContact OE2-NE 3.37Å; E476-R480 IonicContact OE2-NH2 3.1Å; E476-R480 PolarHBondContact OE2-NH2 3.02Å; D477-R480 HydrophobicContact CB-CB 4.34Å; D477-R480 WeakPolarHBondContact O-CG 3.29Å; D477-R480 PolarHBondContact O-N 2.91Å; P478-R480 VanDerWaalsContact C-N 3.33Å; R480-T483 PolarHBondContact NH1-OG1 3.17Å; R480-T483 PolarHBondContact NH2-OG1 3.49Å; R480-E486 IonicContact CZ-OE1 3.41Å; R480-E486 IonicContact NH1-OE1 3.89Å; R480-E486 IonicContact NH1-OE2 3.01Å; R480-E486 IonicContact NH2-OE1 3.87Å; R480-E486 PolarHBondContact NH2-OE1 2.94Å; R480-E486 IonicContact NH2-OE2 2.75Å
481	P	86.5	Confident	86.8	Confident	66 Å²	66	70.8 Å²	70.8	43%	0.429	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-61.3	150.1	173.2	25.3	-33.9	0	0	0	111.4	C453 Q454	C453-P481 VanDerWaalsContact O-CB 3.27Å; C453-P481 WeakPolarHBondContact O-CB 3.49Å; Q454-P481 HydrophobicContact CG-CG 4.4Å
482	P	89.8	Confident	87.4	Confident	5 Å²	5	63.2 Å²	63.2	3%	0.032	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-65.1	144.5	-179.6	27.3	-33.5	0	0	0	111.6	C453 L461 I469 E486	C453-P482 HydrophobicContact CB-CG 4.09Å; C453-P482 WeakPolarHBondContact CB-O 3.38Å; C453-P482 PolarHBondContact SG-O 3.16Å; C453-P482 VanDerWaalsContact SG-O 3.4Å; L461-P482 HydrophobicContact CD1-CG 3.95Å; I469-P482 HydrophobicContact CD1-CG 4.49Å; I469-P482 HydrophobicContact CG2-CB 3.84Å; P482-E486 WeakPolarHBondContact CA-OE2 3.41Å
483	T	91.1	Very high	87.9	Confident	50 Å²	50	68 Å²	68	31%	0.307	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-70.5	147.7	174.1	-45.8	0	0	0	0	109.6	R480 E485 E486 L487	R480-T483 PolarHBondContact NH1-OG1 3.17Å; R480-T483 PolarHBondContact NH2-OG1 3.49Å; T483-E485 HydrophobicContact CG2-CB 4.36Å; T483-E485 PolarHBondContact O-N 2.97Å; T483-E486 VanDerWaalsContact CB-CD 3.46Å; T483-E486 VanDerWaalsContact CB-OE1 3.32Å; T483-E486 WeakPolarHBondContact CB-OE1 3.27Å; T483-E486 PolarHBondContact N-OE2 3.24Å; T483-E486 WeakPolarHBondContact O-CB 3.47Å; T483-E486 PolarHBondContact O-N 2.93Å; T483-E486 VanDerWaalsContact O-N 3.07Å; T483-E486 VanDerWaalsContact OG1-CD 3.26Å; T483-E486 PolarHBondContact OG1-OE1 3.37Å; T483-L487 PolarHBondContact O-N 3.38Å; T483-L487 VanDerWaalsContact O-N 3.16Å
484	S	92.8	Very high	88.4	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.014	33%	0.327	C	S	.	.	H	α-helix	trans	-57.3	-38.2	174.5	45.8	0	0	0	0	112.4	S450 E486 L487 L488	S450-S484 VanDerWaalsContact OG-CB 3.31Å; S450-S484 WeakPolarHBondContact OG-CB 3.28Å; S450-S484 PolarHBondContact OG-OG 3.36Å; S484-E486 PolarHBondContact O-N 3.03Å; S484-L487 PolarHBondContact O-N 3.45Å; S484-L488 VanDerWaalsContact O-CB 3.24Å; S484-L488 WeakPolarHBondContact O-CB 3.28Å; S484-L488 VanDerWaalsContact O-CD1 3.31Å; S484-L488 WeakPolarHBondContact O-CD1 3.47Å; S484-L488 WeakPolarHBondContact O-CG 3.36Å; S484-L488 PolarHBondContact O-N 3.49Å
485	E	92.3	Very high	89.3	Confident	113 Å²	113	59.8 Å²	59.8	53%	0.528	30%	0.303	S	S	.	.	H	α-helix	trans	-59.7	-41.7	172.8	-64.5	-166.1	171.5	0	0	113.4	T483 T489	T483-E485 HydrophobicContact CG2-CB 4.36Å; T483-E485 PolarHBondContact O-N 2.97Å; E485-T489 WeakPolarHBondContact O-CB 3.46Å; E485-T489 PolarHBondContact O-N 3.42Å; E485-T489 PolarHBondContact O-OG1 3.19Å
486	E	92.6	Very high	90	Very high	37 Å²	37	56 Å²	56	17%	0.173	29%	0.294	C	S	.	.	H	α-helix	trans	-64	-48.5	-179.9	-67.5	153.4	-158.5	0	0	110.5	I469 R480 P482 T483 S484 A490	I469-E486 HydrophobicContact CG2-CB 3.96Å; R480-E486 IonicContact CZ-OE1 3.41Å; R480-E486 IonicContact NH1-OE1 3.89Å; R480-E486 IonicContact NH1-OE2 3.01Å; R480-E486 IonicContact NH2-OE1 3.87Å; R480-E486 PolarHBondContact NH2-OE1 2.94Å; R480-E486 IonicContact NH2-OE2 2.75Å; P482-E486 WeakPolarHBondContact CA-OE2 3.41Å; T483-E486 VanDerWaalsContact CB-CD 3.46Å; T483-E486 VanDerWaalsContact CB-OE1 3.32Å; T483-E486 WeakPolarHBondContact CB-OE1 3.27Å; T483-E486 PolarHBondContact N-OE2 3.24Å; T483-E486 WeakPolarHBondContact O-CB 3.47Å; T483-E486 PolarHBondContact O-N 2.93Å; T483-E486 VanDerWaalsContact O-N 3.07Å; T483-E486 VanDerWaalsContact OG1-CD 3.26Å; T483-E486 PolarHBondContact OG1-OE1 3.37Å; S484-E486 PolarHBondContact O-N 3.03Å; E486-A490 WeakPolarHBondContact O-CB 3.03Å; E486-A490 PolarHBondContact O-N 2.91Å
487	L	94.6	Very high	90.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62	-47.5	177.3	176	62.5	0	0	0	111.8	V449 C453 L461 I467 I469 T483 S484 A490 Y491 I513	V449-L487 HydrophobicContact CG1-CD2 4.01Å; C453-L487 VanDerWaalsContact SG-CD2 3.59Å; L461-L487 HydrophobicContact CB-CD1 4.48Å; L461-L487 HydrophobicContact CD1-CD1 4.47Å; L461-L487 HydrophobicContact CD1-CD2 4.28Å; L461-L487 HydrophobicContact CD2-CD2 4.41Å; I467-L487 HydrophobicContact CD1-CD1 3.69Å; I469-L487 HydrophobicContact CD1-CD1 3.85Å; I469-L487 HydrophobicContact CG1-CD1 4.47Å; T483-L487 PolarHBondContact O-N 3.38Å; T483-L487 VanDerWaalsContact O-N 3.16Å; S484-L487 PolarHBondContact O-N 3.45Å; L487-A490 PolarHBondContact O-N 3.27Å; L487-Y491 WeakPolarHBondContact O-CB 3.49Å; L487-Y491 PolarHBondContact O-N 3.21Å; L487-I513 HydrophobicContact CD2-CD1 4.39Å; L487-I513 HydrophobicContact CG-CD1 4.16Å
488	L	95.1	Very high	91.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-68	-37.4	-178	-69.4	167.2	0	0	0	112.2	V449 S484 G492 Q506 A510 I513	V449-L488 HydrophobicContact CB-CD1 4.35Å; V449-L488 HydrophobicContact CG1-CD1 4.13Å; V449-L488 HydrophobicContact CG1-CD2 4.3Å; V449-L488 HydrophobicContact CG1-CG 4.05Å; V449-L488 HydrophobicContact CG2-CD1 4.28Å; V449-L488 HydrophobicContact CG2-CD2 4.24Å; S484-L488 VanDerWaalsContact O-CB 3.24Å; S484-L488 WeakPolarHBondContact O-CB 3.28Å; S484-L488 VanDerWaalsContact O-CD1 3.31Å; S484-L488 WeakPolarHBondContact O-CD1 3.47Å; S484-L488 WeakPolarHBondContact O-CG 3.36Å; S484-L488 PolarHBondContact O-N 3.49Å; L488-G492 WeakPolarHBondContact O-CA 3.29Å; L488-G492 PolarHBondContact O-N 3.33Å; L488-Q506 HydrophobicContact CB-CB 4.14Å; L488-Q506 HydrophobicContact CB-CG 3.98Å; L488-Q506 HydrophobicContact CD1-CB 4.2Å; L488-A510 HydrophobicContact CD1-CB 4.47Å; L488-A510 VanDerWaalsContact CD2-CA 3.48Å; L488-A510 HydrophobicContact CD2-CB 3.67Å; L488-A510 VanDerWaalsContact CD2-N 3.31Å; L488-I513 HydrophobicContact CD2-CD1 3.98Å
489	T	94.2	Very high	92.1	Very high	32 Å²	32	51 Å²	51	20%	0.196	26%	0.264	C	S	.	.	H	α-helix	trans	-64.9	-50.8	174.9	-65.3	0	0	0	0	110.5	E485 Y491 G492 Y493 P504	E485-T489 WeakPolarHBondContact O-CB 3.46Å; E485-T489 PolarHBondContact O-N 3.42Å; E485-T489 PolarHBondContact O-OG1 3.19Å; T489-Y491 PolarHBondContact O-N 3.09Å; T489-G492 PolarHBondContact O-N 3.41Å; T489-Y493 HydrophobicContact CG2-CD2 3.71Å; T489-Y493 HydrophobicContact CG2-CE2 3.45Å; T489-Y493 VanDerWaalsContact CG2-CE2 3.45Å; T489-Y493 WeakPolarHBondContact O-CD2 3.34Å; T489-Y493 PolarHBondContact O-N 2.65Å; T489-P504 HydrophobicContact CG2-CG 4.05Å
490	A	93.8	Very high	92.8	Very high	17 Å²	17	50.1 Å²	50.1	14%	0.14	27%	0.269	C	S	.	.	H	α-helix	trans	-60.6	-47.1	178.9	0	0	0	0	0	112.4	I467 E486 L487 Y493 M494	I467-A490 HydrophobicContact CB-CB 4.49Å; I467-A490 HydrophobicContact CD1-CB 4.38Å; E486-A490 WeakPolarHBondContact O-CB 3.03Å; E486-A490 PolarHBondContact O-N 2.91Å; L487-A490 PolarHBondContact O-N 3.27Å; A490-Y493 PolarHBondContact O-N 3.28Å; A490-M494 PolarHBondContact O-N 2.9Å
491	Y	95.1	Very high	93	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.5	-40	177	-173.6	-99.4	0	0	0	112.4	Y465 L487 T489 M494 R495 F497 I513	Y465-Y491 AromaticContact CD1-CD2 3.89Å; Y465-Y491 HydrophobicContact CD1-CD2 3.89Å; Y465-Y491 AromaticContact CD1-CE2 3.5Å; Y465-Y491 HydrophobicContact CD1-CE2 3.5Å; Y465-Y491 HydrophobicContact CE1-CD2 4.24Å; Y465-Y491 AromaticContact CE1-CE2 3.7Å; Y465-Y491 HydrophobicContact CE1-CE2 3.7Å; Y465-Y491 HydrophobicContact CG-CD2 4.09Å; Y465-Y491 HydrophobicContact CG-CE2 4.17Å; L487-Y491 WeakPolarHBondContact O-CB 3.49Å; L487-Y491 PolarHBondContact O-N 3.21Å; T489-Y491 PolarHBondContact O-N 3.09Å; Y491-M494 HydrophobicContact CD2-CE 3.51Å; Y491-M494 HydrophobicContact CE2-CE 3.5Å; Y491-M494 HydrophobicContact CG-CE 4.45Å; Y491-M494 PolarHBondContact O-N 3.48Å; Y491-R495 HydrophobicContact CD1-CG 4.15Å; Y491-R495 HydrophobicContact CE1-CG 3.75Å; Y491-R495 HydrophobicContact CE2-CG 4.1Å; Y491-R495 WeakPolarHBondContact O-CB 3.42Å; Y491-R495 WeakPolarHBondContact O-CG 3.45Å; Y491-R495 PolarHBondContact O-N 2.98Å; Y491-R495 PolarHBondContact OH-NE 3.14Å; Y491-R495 PolarHBondContact OH-NH2 3.11Å; Y491-R495 VanDerWaalsContact OH-NH2 3.17Å; Y491-F497 HydrophobicContact CE1-CE2 4.37Å; Y491-I513 HydrophobicContact CD1-CD1 4.06Å; Y491-I513 HydrophobicContact CD1-CG1 4.21Å; Y491-I513 HydrophobicContact CE1-CG1 4.36Å; Y491-I513 HydrophobicContact CG-CD1 4Å; Y491-I513 HydrophobicContact CG-CG1 4.33Å
492	G	94.9	Very high	93.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.7	-44.1	176.4	0	0	0	0	0	112.7	L488 T489 R495 G496 F497	L488-G492 WeakPolarHBondContact O-CA 3.29Å; L488-G492 PolarHBondContact O-N 3.33Å; T489-G492 PolarHBondContact O-N 3.41Å; G492-R495 PolarHBondContact O-N 3.31Å; G492-G496 PolarHBondContact O-N 3.47Å; G492-F497 PolarHBondContact O-N 2.8Å
493	Y	93.6	Very high	93.4	Very high	122 Å²	122	59.8 Å²	59.8	48%	0.478	32%	0.323	S	S	.	.	H	α-helix	trans	-61.4	-50.7	173.5	-82.9	-61.4	0	0	0	112	T489 A490 R495 G496 M498 P504	T489-Y493 HydrophobicContact CG2-CD2 3.71Å; T489-Y493 HydrophobicContact CG2-CE2 3.45Å; T489-Y493 VanDerWaalsContact CG2-CE2 3.45Å; T489-Y493 WeakPolarHBondContact O-CD2 3.34Å; T489-Y493 PolarHBondContact O-N 2.65Å; A490-Y493 PolarHBondContact O-N 3.28Å; Y493-R495 VanDerWaalsContact C-N 3.28Å; Y493-R495 PolarHBondContact O-N 3.34Å; Y493-G496 PolarHBondContact O-N 2.91Å; Y493-G496 VanDerWaalsContact O-N 3.1Å; Y493-M498 HydrophobicContact CD1-CE 3.53Å; Y493-M498 HydrophobicContact CE1-CE 3.76Å; Y493-P504 HydrophobicContact CD2-CG 4.42Å; Y493-P504 HydrophobicContact CE2-CG 4.03Å
494	M	93.2	Very high	93.6	Very high	86 Å²	86	58 Å²	58	42%	0.424	31%	0.312	S	S	.	.	H	α-helix	trans	-56.9	-41.2	178.5	-179.6	-164.1	63	0	0	112.2	I467 A490 Y491	I467-M494 HydrophobicContact CG2-CB 3.99Å; I467-M494 HydrophobicContact CG2-CE 3.95Å; I467-M494 HydrophobicContact CG2-CG 4.22Å; I467-M494 HydrophobicContact CG2-SD 3.42Å; I467-M494 WeakPolarHBondContact CG2-SD 3.25Å; A490-M494 PolarHBondContact O-N 2.9Å; Y491-M494 HydrophobicContact CD2-CE 3.51Å; Y491-M494 HydrophobicContact CE2-CE 3.5Å; Y491-M494 HydrophobicContact CG-CE 4.45Å; Y491-M494 PolarHBondContact O-N 3.48Å
495	R	93.4	Very high	93.7	Very high	127 Å²	127	59.8 Å²	59.8	48%	0.479	32%	0.321	S	S	.	.	H	α-helix	trans	-82.1	-10.1	179.9	-69	-60.1	-156.8	172.7	8	114.4	Y491 G492 Y493 F497	Y491-R495 HydrophobicContact CD1-CG 4.15Å; Y491-R495 HydrophobicContact CE1-CG 3.75Å; Y491-R495 HydrophobicContact CE2-CG 4.1Å; Y491-R495 WeakPolarHBondContact O-CB 3.42Å; Y491-R495 WeakPolarHBondContact O-CG 3.45Å; Y491-R495 PolarHBondContact O-N 2.98Å; Y491-R495 PolarHBondContact OH-NE 3.14Å; Y491-R495 PolarHBondContact OH-NH2 3.11Å; Y491-R495 VanDerWaalsContact OH-NH2 3.17Å; G492-R495 PolarHBondContact O-N 3.31Å; Y493-R495 VanDerWaalsContact C-N 3.28Å; Y493-R495 PolarHBondContact O-N 3.34Å; R495-F497 HydrophobicContact CB-CD1 3.85Å; R495-F497 HydrophobicContact CB-CD2 4Å; R495-F497 HydrophobicContact CB-CE1 3.95Å; R495-F497 HydrophobicContact CB-CE2 4.1Å; R495-F497 HydrophobicContact CB-CG 3.88Å; R495-F497 HydrophobicContact CB-CZ 4.08Å; R495-F497 HydrophobicContact CG-CE2 4.3Å; R495-F497 HydrophobicContact CG-CZ 4.37Å; R495-F497 PolarHBondContact O-N 3Å
496	G	93.2	Very high	93.8	Very high	48 Å²	48	56.7 Å²	56.7	50%	0.495	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	26.7	-170.8	0	0	0	0	0	113.6	G492 Y493 M498	G492-G496 PolarHBondContact O-N 3.47Å; Y493-G496 PolarHBondContact O-N 2.91Å; Y493-G496 VanDerWaalsContact O-N 3.1Å; G496-M498 PolarHBondContact O-N 3.03Å; G496-M498 VanDerWaalsContact O-N 3.07Å
497	F	94.9	Very high	93.9	Very high	24 Å²	24	57.4 Å²	57.4	11%	0.105	32%	0.315	C	S	.	.			trans	-78.3	90.9	176.3	-71	-7.7	0	0	0	109.3	Y491 G492 R495 P504 D505 R508 Y512	Y491-F497 HydrophobicContact CE1-CE2 4.37Å; G492-F497 PolarHBondContact O-N 2.8Å; R495-F497 HydrophobicContact CB-CD1 3.85Å; R495-F497 HydrophobicContact CB-CD2 4Å; R495-F497 HydrophobicContact CB-CE1 3.95Å; R495-F497 HydrophobicContact CB-CE2 4.1Å; R495-F497 HydrophobicContact CB-CG 3.88Å; R495-F497 HydrophobicContact CB-CZ 4.08Å; R495-F497 HydrophobicContact CG-CE2 4.3Å; R495-F497 HydrophobicContact CG-CZ 4.37Å; R495-F497 PolarHBondContact O-N 3Å; F497-P504 CarbonylContact O-C 3.32Å; F497-P504 VanDerWaalsContact O-CA 3.27Å; F497-P504 WeakPolarHBondContact O-CA 3.16Å; F497-D505 HydrophobicContact CB-CB 4.37Å; F497-D505 PolarHBondContact O-N 3.12Å; F497-R508 HydrophobicContact CD2-CG 3.89Å; F497-R508 HydrophobicContact CE2-CG 4.08Å; F497-R508 HydrophobicContact CG-CG 4.38Å; F497-Y512 AromaticContact CE2-CD2 3.68Å; F497-Y512 HydrophobicContact CE2-CD2 3.68Å; F497-Y512 AromaticContact CE2-CE2 3.81Å; F497-Y512 HydrophobicContact CE2-CE2 3.81Å; F497-Y512 HydrophobicContact CE2-CG 4.3Å; F497-Y512 HydrophobicContact CZ-CD2 4.15Å; F497-Y512 AromaticContact CZ-CE2 3.87Å; F497-Y512 HydrophobicContact CZ-CE2 3.87Å
498	M	94.4	Very high	93.8	Very high	80 Å²	80	62.6 Å²	62.6	39%	0.394	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-110	141.9	-176.9	-60.1	-61.8	179.2	0	0	112.5	Y493 G496	Y493-M498 HydrophobicContact CD1-CE 3.53Å; Y493-M498 HydrophobicContact CE1-CE 3.76Å; G496-M498 PolarHBondContact O-N 3.03Å; G496-M498 VanDerWaalsContact O-N 3.07Å
499	T	94.4	Very high	93.8	Very high	54 Å²	54	62.6 Å²	62.6	33%	0.331	33%	0.334	S	S	.	.			trans	-74.4	167.1	164.2	63.4	0	0	0	0	111.1	H501 G502 Q503 D505	T499-H501 PolarHBondContact O-N 2.82Å; T499-G502 PolarHBondContact O-N 3.16Å; T499-Q503 WeakPolarHBondContact CB-O 3.47Å; T499-Q503 WeakPolarHBondContact CG2-O 3.35Å; T499-Q503 PolarHBondContact N-O 2.81Å; T499-Q503 PolarHBondContact OG1-N 3.21Å; T499-Q503 PolarHBondContact OG1-O 3.4Å; T499-D505 HydrophobicContact CG2-CB 4.14Å
500	S	93.4	Very high	93.9	Very high	129 Å²	129	61 Å²	61	90%	0.902	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-19.3	174.4	-52.1	0	0	0	0	114.4
501	H	90.5	Very high	94	Very high	173 Å²	173	63.9 Å²	63.9	80%	0.801	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	5.7	178.5	-61.7	-71	0	0	0	113.4	T499 Q503	T499-H501 PolarHBondContact O-N 2.82Å; H501-Q503 VanDerWaalsContact C-N 3.25Å; H501-Q503 PolarHBondContact O-N 2.96Å
502	G	90.9	Very high	94	Very high	45 Å²	45	69 Å²	69	46%	0.464	35%	0.352	S	S	.	.	S	Bend	trans	76.6	6	179.8	0	0	0	0	0	115.1	T499	T499-G502 PolarHBondContact O-N 3.16Å
503	Q	93.3	Very high	94	Very high	117 Å²	117	69 Å²	69	55%	0.547	35%	0.352	S	S	.	.	S	Bend	trans	-88.2	147.8	171.6	-64.8	-59.3	-34.7	0	0	110.6	T499 H501	T499-Q503 WeakPolarHBondContact CB-O 3.47Å; T499-Q503 WeakPolarHBondContact CG2-O 3.35Å; T499-Q503 PolarHBondContact N-O 2.81Å; T499-Q503 PolarHBondContact OG1-N 3.21Å; T499-Q503 PolarHBondContact OG1-O 3.4Å; H501-Q503 VanDerWaalsContact C-N 3.25Å; H501-Q503 PolarHBondContact O-N 2.96Å
504	P	94.5	Very high	94	Very high	12 Å²	12	63.2 Å²	63.2	8%	0.078	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-64.3	139.7	179.5	23.8	-31	0	0	0	112.5	T489 Y493 F497 Q506	T489-P504 HydrophobicContact CG2-CG 4.05Å; Y493-P504 HydrophobicContact CD2-CG 4.42Å; Y493-P504 HydrophobicContact CE2-CG 4.03Å; F497-P504 CarbonylContact O-C 3.32Å; F497-P504 VanDerWaalsContact O-CA 3.27Å; F497-P504 WeakPolarHBondContact O-CA 3.16Å; P504-Q506 PolarHBondContact O-N 2.95Å; P504-Q506 VanDerWaalsContact O-N 3.13Å
505	D	95.3	Very high	94.1	Very high	40 Å²	40	62.7 Å²	62.7	21%	0.214	33%	0.325	C	S	.	.			trans	-80.9	89.7	179.9	-177.9	-11.6	0	0	0	109.9	F497 T499 P507 R508 S509	F497-D505 HydrophobicContact CB-CB 4.37Å; F497-D505 PolarHBondContact O-N 3.12Å; T499-D505 HydrophobicContact CG2-CB 4.14Å; D505-P507 WeakPolarHBondContact OD1-CD 3.08Å; D505-R508 HydrophobicContact CB-CB 4.08Å; D505-R508 WeakPolarHBondContact OD1-CB 3.5Å; D505-R508 PolarHBondContact OD1-N 3.4Å; D505-R508 WeakPolarHBondContact OD2-CB 3.24Å; D505-R508 WeakPolarHBondContact OD2-CD 3.31Å; D505-S509 WeakPolarHBondContact O-CB 3.38Å; D505-S509 PolarHBondContact O-N 2.85Å; D505-S509 PolarHBondContact O-OG 3.47Å
506	Q	94.4	Very high	94.1	Very high	47 Å²	47	57.9 Å²	57.9	22%	0.22	31%	0.308	C	S	.	.	H	α-helix	trans	-61.8	-48.4	179.5	-62.9	177.7	-7.7	0	0	112.7	L488 P504 R508 S509 A510	L488-Q506 HydrophobicContact CB-CB 4.14Å; L488-Q506 HydrophobicContact CB-CG 3.98Å; L488-Q506 HydrophobicContact CD1-CB 4.2Å; P504-Q506 PolarHBondContact O-N 2.95Å; P504-Q506 VanDerWaalsContact O-N 3.13Å; Q506-R508 VanDerWaalsContact C-N 3.3Å; Q506-R508 PolarHBondContact O-N 3.33Å; Q506-S509 WeakPolarHBondContact O-CB 3.48Å; Q506-S509 PolarHBondContact O-N 3.25Å; Q506-S509 VanDerWaalsContact O-N 3.12Å; Q506-A510 WeakPolarHBondContact O-CB 3.35Å; Q506-A510 PolarHBondContact O-N 3.32Å
507	P	93.9	Very high	94.1	Very high	53 Å²	53	56.4 Å²	56.4	34%	0.344	29%	0.288	S	S	.	.	H	α-helix	trans	-61.7	-33.4	179	-23.1	32.9	0	0	0	114	D505 R511	D505-P507 WeakPolarHBondContact OD1-CD 3.08Å; P507-R511 PolarHBondContact O-NH1 3.12Å
508	R	93.9	Very high	93.9	Very high	108 Å²	108	56.3 Å²	56.3	41%	0.408	29%	0.289	S	S	.	.	H	α-helix	trans	-69.5	-48.1	172.3	-180	179	175.2	162.5	1.3	110.9	F497 D505 Q506 A510 R511 Y512	F497-R508 HydrophobicContact CD2-CG 3.89Å; F497-R508 HydrophobicContact CE2-CG 4.08Å; F497-R508 HydrophobicContact CG-CG 4.38Å; D505-R508 HydrophobicContact CB-CB 4.08Å; D505-R508 WeakPolarHBondContact OD1-CB 3.5Å; D505-R508 PolarHBondContact OD1-N 3.4Å; D505-R508 WeakPolarHBondContact OD2-CB 3.24Å; D505-R508 WeakPolarHBondContact OD2-CD 3.31Å; Q506-R508 VanDerWaalsContact C-N 3.3Å; Q506-R508 PolarHBondContact O-N 3.33Å; R508-A510 VanDerWaalsContact C-N 3.3Å; R508-A510 PolarHBondContact O-N 3.38Å; R508-R511 PolarHBondContact O-N 3.32Å; R508-Y512 HydrophobicContact CG-CD2 4.5Å; R508-Y512 HydrophobicContact CG-CE2 4.23Å; R508-Y512 WeakPolarHBondContact O-CD2 3.33Å; R508-Y512 PolarHBondContact O-N 2.97Å
509	S	95.4	Very high	93.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-56.8	-43.7	179.6	-61.9	0	0	0	0	111.9	D505 Q506 R511 Y512 I513	D505-S509 WeakPolarHBondContact O-CB 3.38Å; D505-S509 PolarHBondContact O-N 2.85Å; D505-S509 PolarHBondContact O-OG 3.47Å; Q506-S509 WeakPolarHBondContact O-CB 3.48Å; Q506-S509 PolarHBondContact O-N 3.25Å; Q506-S509 VanDerWaalsContact O-N 3.12Å; S509-R511 PolarHBondContact O-N 3.32Å; S509-Y512 PolarHBondContact O-N 3.08Å; S509-Y512 VanDerWaalsContact O-N 3.16Å; S509-I513 PolarHBondContact O-N 3.31Å; S509-I513 VanDerWaalsContact O-N 3.13Å
510	A	95.9	Very high	93.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.6	-43.8	179	0	0	0	0	0	112.9	H445 V449 L488 Q506 R508 Y512 I513 L514	H445-A510 HydrophobicContact CB-CB 3.76Å; V449-A510 HydrophobicContact CG2-CB 3.72Å; L488-A510 HydrophobicContact CD1-CB 4.47Å; L488-A510 VanDerWaalsContact CD2-CA 3.48Å; L488-A510 HydrophobicContact CD2-CB 3.67Å; L488-A510 VanDerWaalsContact CD2-N 3.31Å; Q506-A510 WeakPolarHBondContact O-CB 3.35Å; Q506-A510 PolarHBondContact O-N 3.32Å; R508-A510 VanDerWaalsContact C-N 3.3Å; R508-A510 PolarHBondContact O-N 3.38Å; A510-Y512 VanDerWaalsContact C-N 3.26Å; A510-Y512 PolarHBondContact O-N 3.49Å; A510-I513 PolarHBondContact O-N 2.88Å; A510-L514 HydrophobicContact CB-CD1 4.47Å; A510-L514 WeakPolarHBondContact O-CB 3.34Å; A510-L514 WeakPolarHBondContact O-CD1 3.45Å; A510-L514 WeakPolarHBondContact O-CG 3.49Å; A510-L514 PolarHBondContact O-N 3.5Å
511	R	94.9	Very high	93.3	Very high	76 Å²	76	54.2 Å²	54.2	29%	0.287	27%	0.266	S	S	.	.	H	α-helix	trans	-61.2	-32.9	177.9	-70.8	-177.1	-174.2	90.7	-6.8	112.9	I439 D440 M442 P507 R508 S509 K515	I439-R511 HydrophobicContact CG2-CB 4.2Å; I439-R511 HydrophobicContact CG2-CG 4.12Å; D440-R511 PolarHBondContact O-NE 2.98Å; M442-R511 HydrophobicContact SD-CG 3.84Å; P507-R511 PolarHBondContact O-NH1 3.12Å; R508-R511 PolarHBondContact O-N 3.32Å; S509-R511 PolarHBondContact O-N 3.32Å; R511-K515 WeakPolarHBondContact O-CB 3.39Å; R511-K515 WeakPolarHBondContact O-CD 3.33Å; R511-K515 WeakPolarHBondContact O-CG 3.32Å; R511-K515 PolarHBondContact O-N 2.96Å
512	Y	94.8	Very high	93.3	Very high	108 Å²	108	46.1 Å²	46.1	42%	0.424	23%	0.229	S	C	.	.	H	α-helix	trans	-72.5	-46	174.7	-79.6	-93.3	0	0	0	111.4	F497 R508 S509 A510 L514 K515 D516	F497-Y512 AromaticContact CE2-CD2 3.68Å; F497-Y512 HydrophobicContact CE2-CD2 3.68Å; F497-Y512 AromaticContact CE2-CE2 3.81Å; F497-Y512 HydrophobicContact CE2-CE2 3.81Å; F497-Y512 HydrophobicContact CE2-CG 4.3Å; F497-Y512 HydrophobicContact CZ-CD2 4.15Å; F497-Y512 AromaticContact CZ-CE2 3.87Å; F497-Y512 HydrophobicContact CZ-CE2 3.87Å; R508-Y512 HydrophobicContact CG-CD2 4.5Å; R508-Y512 HydrophobicContact CG-CE2 4.23Å; R508-Y512 WeakPolarHBondContact O-CD2 3.33Å; R508-Y512 PolarHBondContact O-N 2.97Å; S509-Y512 PolarHBondContact O-N 3.08Å; S509-Y512 VanDerWaalsContact O-N 3.16Å; A510-Y512 VanDerWaalsContact C-N 3.26Å; A510-Y512 PolarHBondContact O-N 3.49Å; Y512-L514 PolarHBondContact O-N 3.06Å; Y512-K515 PolarHBondContact O-N 3.45Å; Y512-D516 WeakPolarHBondContact O-CB 3.4Å; Y512-D516 PolarHBondContact O-N 2.92Å
513	I	95.4	Very high	93.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-43.4	179.6	-68.1	167.2	0	0	0	111.3	Y465 L487 L488 Y491 S509 A510 K515 D516 Y517 L522	Y465-I513 HydrophobicContact CE2-CG1 4.46Å; L487-I513 HydrophobicContact CD2-CD1 4.39Å; L487-I513 HydrophobicContact CG-CD1 4.16Å; L488-I513 HydrophobicContact CD2-CD1 3.98Å; Y491-I513 HydrophobicContact CD1-CD1 4.06Å; Y491-I513 HydrophobicContact CD1-CG1 4.21Å; Y491-I513 HydrophobicContact CE1-CG1 4.36Å; Y491-I513 HydrophobicContact CG-CD1 4Å; Y491-I513 HydrophobicContact CG-CG1 4.33Å; S509-I513 PolarHBondContact O-N 3.31Å; S509-I513 VanDerWaalsContact O-N 3.13Å; A510-I513 PolarHBondContact O-N 2.88Å; I513-K515 VanDerWaalsContact C-N 3.35Å; I513-K515 PolarHBondContact O-N 2.97Å; I513-D516 PolarHBondContact O-N 3.13Å; I513-Y517 PolarHBondContact O-N 3.37Å; I513-L522 HydrophobicContact CG2-CD1 3.92Å
514	L	94.9	Very high	93.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.6	-36	177.1	-72.1	162.2	0	0	0	112.3	I432 I439 M442 A448 V449 I452 A510 Y512 Y517 V518	I432-L514 HydrophobicContact CG2-CD1 4.33Å; I432-L514 HydrophobicContact CG2-CD2 4.33Å; I439-L514 HydrophobicContact CD1-CB 4Å; I439-L514 HydrophobicContact CG1-CB 4.31Å; I439-L514 HydrophobicContact CG2-CB 3.97Å; I439-L514 HydrophobicContact CG2-CD1 4.41Å; M442-L514 HydrophobicContact CE-CD1 3.32Å; M442-L514 HydrophobicContact SD-CD1 3.7Å; A448-L514 HydrophobicContact CB-CD1 4.18Å; A448-L514 HydrophobicContact CB-CD2 3.84Å; V449-L514 HydrophobicContact CG2-CD1 4.38Å; V449-L514 HydrophobicContact CG2-CG 4.45Å; I452-L514 HydrophobicContact CD1-CD2 3.59Å; I452-L514 HydrophobicContact CD1-CG 4.41Å; A510-L514 HydrophobicContact CB-CD1 4.47Å; A510-L514 WeakPolarHBondContact O-CB 3.34Å; A510-L514 WeakPolarHBondContact O-CD1 3.45Å; A510-L514 WeakPolarHBondContact O-CG 3.49Å; A510-L514 PolarHBondContact O-N 3.5Å; Y512-L514 PolarHBondContact O-N 3.06Å; L514-Y517 PolarHBondContact O-N 3.37Å; L514-V518 WeakPolarHBondContact O-CG2 3.44Å; L514-V518 PolarHBondContact O-N 3.5Å
515	K	93.8	Very high	93	Very high	75 Å²	75	40 Å²	40	33%	0.326	19%	0.187	S	C	.	.	H	α-helix	trans	-68.6	-41.2	172.7	-77.9	174.5	173.4	-179.3	0	111.8	I439 D440 R511 Y512 I513 Y517 V518 N519	I439-K515 HydrophobicContact CD1-CG 3.92Å; I439-K515 HydrophobicContact CG2-CG 4.34Å; D440-K515 IonicContact OD1-NZ 3.17Å; D440-K515 PolarHBondContact OD1-NZ 3.47Å; D440-K515 WeakPolarHBondContact OD2-CE 3.48Å; D440-K515 IonicContact OD2-NZ 2.73Å; D440-K515 PolarHBondContact OD2-NZ 2.93Å; R511-K515 WeakPolarHBondContact O-CB 3.39Å; R511-K515 WeakPolarHBondContact O-CD 3.33Å; R511-K515 WeakPolarHBondContact O-CG 3.32Å; R511-K515 PolarHBondContact O-N 2.96Å; Y512-K515 PolarHBondContact O-N 3.45Å; I513-K515 VanDerWaalsContact C-N 3.35Å; I513-K515 PolarHBondContact O-N 2.97Å; K515-Y517 VanDerWaalsContact C-N 3.28Å; K515-Y517 PolarHBondContact O-N 3.13Å; K515-V518 PolarHBondContact O-N 3.36Å; K515-N519 WeakPolarHBondContact O-CB 3.39Å; K515-N519 PolarHBondContact O-N 3.43Å; K515-N519 PolarHBondContact O-ND2 3.36Å; K515-N519 VanDerWaalsContact O-ND2 3.17Å
516	D	94.2	Very high	92.8	Very high	26 Å²	26	40.5 Å²	40.5	14%	0.139	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-34.6	174.5	-78.4	2.8	0	0	0	111.6	Y465 Y512 I513 G520 K521 L522	Y465-D516 WeakPolarHBondContact CE1-OD2 3.37Å; Y512-D516 WeakPolarHBondContact O-CB 3.4Å; Y512-D516 PolarHBondContact O-N 2.92Å; I513-D516 PolarHBondContact O-N 3.13Å; D516-G520 PolarHBondContact O-N 3.43Å; D516-K521 HydrophobicContact CB-CB 4.25Å; D516-K521 HydrophobicContact CB-CD 4.21Å; D516-K521 WeakPolarHBondContact O-CA 3.3Å; D516-K521 WeakPolarHBondContact O-CB 3.34Å; D516-K521 PolarHBondContact O-N 3.13Å; D516-K521 IonicContact OD2-NZ 3.73Å; D516-K521 PolarHBondContact OD2-NZ 2.87Å; D516-L522 PolarHBondContact O-N 2.98Å; D516-L522 VanDerWaalsContact O-N 3.14Å
517	Y	93.8	Very high	92.5	Very high	17 Å²	17	39.3 Å²	39.3	7%	0.067	19%	0.185	C	C	.	.	H	α-helix	trans	-67.9	-52.6	171.8	-173.1	-89.9	0	0	0	112.6	R184 C433 I452 I456 I513 L514 K515 N519 G520 L522 F524	R184-Y517 PolarHBondContact NH1-O 3.31Å; C433-Y517 HydrophobicContact CB-CD1 4.22Å; C433-Y517 HydrophobicContact CB-CE1 3.85Å; C433-Y517 WeakPolarHBondContact O-CD1 3.44Å; C433-Y517 WeakPolarHBondContact O-CE1 3.4Å; I452-Y517 HydrophobicContact CD1-CD1 4.3Å; I452-Y517 HydrophobicContact CD1-CD2 3.85Å; I452-Y517 HydrophobicContact CD1-CG 3.72Å; I452-Y517 HydrophobicContact CG1-CD2 3.86Å; I452-Y517 HydrophobicContact CG1-CE2 4.08Å; I452-Y517 HydrophobicContact CG1-CG 4.15Å; I452-Y517 HydrophobicContact CG2-CD2 4.35Å; I456-Y517 HydrophobicContact CD1-CD2 3.86Å; I456-Y517 HydrophobicContact CD1-CE2 3.84Å; I456-Y517 HydrophobicContact CG1-CE2 4.37Å; I513-Y517 PolarHBondContact O-N 3.37Å; L514-Y517 PolarHBondContact O-N 3.37Å; K515-Y517 VanDerWaalsContact C-N 3.28Å; K515-Y517 PolarHBondContact O-N 3.13Å; Y517-N519 PolarHBondContact O-N 3.01Å; Y517-G520 PolarHBondContact O-N 2.93Å; Y517-L522 HydrophobicContact CD2-CB 4.01Å; Y517-L522 WeakPolarHBondContact CD2-O 3.39Å; Y517-F524 HydrophobicContact CE2-CB 4.06Å
518	V	90.6	Very high	92.2	Very high	22 Å²	22	37 Å²	37	13%	0.133	17%	0.17	C	C	.	.	H	α-helix	trans	-61.3	-33.1	178.7	170.2	0	0	0	0	112.1	R184 C433 I439 L514 K515 G520	R184-V518 PolarHBondContact NH1-O 3.21Å; R184-V518 PolarHBondContact NH2-O 3.31Å; R184-V518 VanDerWaalsContact NH2-O 3.09Å; C433-V518 WeakPolarHBondContact O-CG2 3.42Å; I439-V518 HydrophobicContact CD1-CB 4.35Å; I439-V518 HydrophobicContact CD1-CG2 3.86Å; L514-V518 WeakPolarHBondContact O-CG2 3.44Å; L514-V518 PolarHBondContact O-N 3.5Å; K515-V518 PolarHBondContact O-N 3.36Å; V518-G520 VanDerWaalsContact C-N 3.3Å; V518-G520 PolarHBondContact O-N 2.77Å
519	N	88.9	Confident	91.3	Very high	112 Å²	112	37 Å²	37	60%	0.599	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-5.2	175.6	-67.2	-20.9	0	0	0	114.5	K515 Y517	K515-N519 WeakPolarHBondContact O-CB 3.39Å; K515-N519 PolarHBondContact O-N 3.43Å; K515-N519 PolarHBondContact O-ND2 3.36Å; K515-N519 VanDerWaalsContact O-ND2 3.17Å; Y517-N519 PolarHBondContact O-N 3.01Å
520	G	88.6	Confident	90.4	Very high	13 Å²	13	44.2 Å²	44.2	13%	0.134	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	11	178.5	0	0	0	0	0	115.6	D516 Y517 V518	D516-G520 PolarHBondContact O-N 3.43Å; Y517-G520 PolarHBondContact O-N 2.93Å; V518-G520 VanDerWaalsContact C-N 3.3Å; V518-G520 PolarHBondContact O-N 2.77Å
521	K	90.4	Very high	89.8	Confident	95 Å²	95	47 Å²	47	41%	0.413	23%	0.225	S	C	.	.	S	Bend	trans	-74.2	-38.7	171.3	176	-177.3	159.4	-153.3	0	111.4	T464 D516	T464-K521 HydrophobicContact CG2-CG 4.29Å; D516-K521 HydrophobicContact CB-CB 4.25Å; D516-K521 HydrophobicContact CB-CD 4.21Å; D516-K521 WeakPolarHBondContact O-CA 3.3Å; D516-K521 WeakPolarHBondContact O-CB 3.34Å; D516-K521 PolarHBondContact O-N 3.13Å; D516-K521 IonicContact OD2-NZ 3.73Å; D516-K521 PolarHBondContact OD2-NZ 2.87Å
522	L	91.3	Very high	89.1	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	24%	0.238	C	C	.	.	S	Bend	trans	-94.1	94.3	160.5	-77.6	-178.7	0	0	0	107.4	I452 I456 L461 T464 Y465 I513 D516 Y517	I452-L522 HydrophobicContact CG2-CD1 4.23Å; I456-L522 HydrophobicContact CD1-CB 3.71Å; I456-L522 HydrophobicContact CD1-CD1 4.35Å; I456-L522 HydrophobicContact CD1-CD2 4.2Å; I456-L522 HydrophobicContact CD1-CG 4.32Å; L461-L522 HydrophobicContact CD2-CD1 4.13Å; L461-L522 HydrophobicContact CD2-CD2 3.91Å; T464-L522 HydrophobicContact CG2-CD2 3.93Å; Y465-L522 HydrophobicContact CE2-CD1 3.86Å; Y465-L522 HydrophobicContact CE2-CD2 3.92Å; Y465-L522 HydrophobicContact CE2-CG 4.11Å; Y465-L522 WeakPolarHBondContact OH-CD1 3.19Å; I513-L522 HydrophobicContact CG2-CD1 3.92Å; D516-L522 PolarHBondContact O-N 2.98Å; D516-L522 VanDerWaalsContact O-N 3.14Å; Y517-L522 HydrophobicContact CD2-CB 4.01Å; Y517-L522 WeakPolarHBondContact CD2-O 3.39Å
523	L	90.4	Very high	88.4	Confident	27 Å²	27	46.4 Å²	46.4	14%	0.141	24%	0.239	C	C	.	.			trans	-93.1	122	-171	-174.1	52.1	0	0	0	112.3	R184 L216 Q539 H540	R184-L523 HydrophobicContact CG-CD1 4.18Å; L216-L523 HydrophobicContact CB-CD1 4Å; L216-L523 HydrophobicContact CB-CD2 4.35Å; L216-L523 HydrophobicContact CD1-CD1 4.44Å; L216-L523 HydrophobicContact CD2-CD1 4.5Å; L216-L523 HydrophobicContact CD2-CD2 4.49Å; L216-L523 WeakPolarHBondContact O-CD2 3.47Å; L523-Q539 VanDerWaalsContact CD2-OE1 3.25Å; L523-H540 PolarHBondContact O-NE2 2.98Å
524	F	91.3	Very high	87.6	Confident	18 Å²	18	54.6 Å²	54.6	8%	0.079	28%	0.277	C	S	.	.			trans	-133.6	133.7	167.8	-176.5	-93.8	0	0	0	108.1	T455 I456 Y517 H526 P533 Q537	T455-F524 VanDerWaalsContact O-CD2 3.3Å; T455-F524 WeakPolarHBondContact O-CD2 3.31Å; T455-F524 WeakPolarHBondContact O-CE2 3.34Å; I456-F524 HydrophobicContact CG1-CB 4.47Å; Y517-F524 HydrophobicContact CE2-CB 4.06Å; F524-H526 AromaticContact CD1-CD2 3.88Å; F524-H526 AromaticContact CD1-NE2 3.84Å; F524-H526 AromaticContact CE1-CD2 3.84Å; F524-H526 AromaticContact CE1-CE1 3.86Å; F524-H526 AromaticContact CE1-CG 3.94Å; F524-H526 AromaticContact CE1-ND1 3.94Å; F524-H526 AromaticContact CE1-NE2 3.81Å; F524-P533 HydrophobicContact CZ-CB 4.3Å; F524-Q537 HydrophobicContact CD2-CG 4.39Å; F524-Q537 HydrophobicContact CE2-CG 4.38Å
525	C	91.2	Very high	86.8	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.307	C	S	.	.			trans	-122.1	123.8	179.3	-58.1	0	0	0	0	107.1	F536 Q537	C525-F536 HydrophobicContact CB-CE1 3.95Å; C525-F536 WeakPolarHBondContact O-CD1 3.1Å; C525-Q537 PolarHBondContact O-NE2 3.09Å; C525-Q537 PolarHBondContact O-OE1 3.33Å
526	H	90.3	Very high	86.4	Confident	52 Å²	52	57 Å²	57	24%	0.241	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-70.8	135	178.5	-66.1	-108.3	0	0	0	109.4	R184 N185 W225 F524 F536	R184-H526 PolarHBondContact O-CD2 3.43Å; R184-H526 PolarHBondContact O-N 3.28Å; N185-H526 HydrophobicContact CB-CB 4.34Å; W225-H526 WeakPolarHBondContact CZ2-O 3.49Å; F524-H526 AromaticContact CD1-CD2 3.88Å; F524-H526 AromaticContact CD1-NE2 3.84Å; F524-H526 AromaticContact CE1-CD2 3.84Å; F524-H526 AromaticContact CE1-CE1 3.86Å; F524-H526 AromaticContact CE1-CG 3.94Å; F524-H526 AromaticContact CE1-ND1 3.94Å; F524-H526 AromaticContact CE1-NE2 3.81Å; H526-F536 WeakPolarHBondContact O-CE1 3.24Å
527	P	88.3	Confident	85.9	Confident	21 Å²	21	56.1 Å²	56.1	14%	0.136	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-76.7	162.8	172	32.1	-36.3	0	0	0	111.6	I531 P533 F536	P527-I531 HydrophobicContact CB-CB 4.09Å; P527-I531 HydrophobicContact CB-CG2 4.16Å; P527-I531 WeakPolarHBondContact CG-O 3.04Å; P527-P533 HydrophobicContact CG-CB 4.23Å; P527-P533 HydrophobicContact CG-CG 3.95Å; P527-F536 HydrophobicContact CB-CB 3.98Å; P527-F536 HydrophobicContact CB-CD1 3.81Å; P527-F536 HydrophobicContact CB-CD2 4.26Å; P527-F536 HydrophobicContact CB-CE1 4.34Å; P527-F536 HydrophobicContact CB-CG 3.78Å
528	P	86.8	Confident	85.1	Confident	4 Å²	4	57.8 Å²	57.8	3%	0.026	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-58.1	158.4	159.7	-20.2	32.4	0	0	0	111.8	I224 W225 Y228 H530 I531	I224-P528 HydrophobicContact CG2-CG 3.77Å; W225-P528 HydrophobicContact CD2-CG 3.93Å; W225-P528 HydrophobicContact CE3-CG 3.97Å; W225-P528 HydrophobicContact CH2-CB 4.27Å; W225-P528 HydrophobicContact CH2-CG 3.96Å; W225-P528 HydrophobicContact CZ2-CG 3.95Å; W225-P528 HydrophobicContact CZ3-CB 4.35Å; W225-P528 HydrophobicContact CZ3-CG 3.99Å; Y228-P528 HydrophobicContact CD2-CB 4.09Å; Y228-P528 HydrophobicContact CG-CB 4.15Å; Y228-P528 HydrophobicContact CG-CG 4.44Å; P528-H530 PolarHBondContact O-N 2.89Å; P528-I531 PolarHBondContact O-N 3.33Å; P528-I531 VanDerWaalsContact O-N 3.14Å
529	L	76.3	Confident	84.5	Confident	108 Å²	108	58.6 Å²	58.6	57%	0.565	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-12	-169.9	-63.9	178.8	0	0	0	116.4	L187	L187-L529 HydrophobicContact CD1-CG 4.48Å
530	H	76.2	Confident	84.2	Confident	152 Å²	152	54 Å²	54	70%	0.704	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-2.9	-176.4	-54.6	-65.7	0	0	0	114.1	P528	P528-H530 PolarHBondContact O-N 2.89Å
531	I	83	Confident	83.5	Confident	59 Å²	59	56 Å²	56	30%	0.303	29%	0.291	S	S	.	.	S	Bend	trans	-122	140.1	-171	-65.1	169.2	0	0	0	110	I224 P527 P528 F536	I224-I531 HydrophobicContact CB-CD1 4.49Å; I224-I531 HydrophobicContact CD1-CD1 4.31Å; I224-I531 HydrophobicContact CG1-CD1 4.36Å; I224-I531 HydrophobicContact CG2-CD1 3.36Å; P527-I531 HydrophobicContact CB-CB 4.09Å; P527-I531 HydrophobicContact CB-CG2 4.16Å; P527-I531 WeakPolarHBondContact CG-O 3.04Å; P528-I531 PolarHBondContact O-N 3.33Å; P528-I531 VanDerWaalsContact O-N 3.14Å; I531-F536 HydrophobicContact CG2-CB 4.07Å; I531-F536 HydrophobicContact CG2-CD2 4.35Å
532	N	80.8	Confident	82.7	Confident	105 Å²	105	58.7 Å²	58.7	56%	0.561	30%	0.303	S	S	*	.			trans	-70.1	139.7	179.7	-60	-43.4	0	0	0	111.5	E534 D535 F536	N532-E534 PolarHBondContact O-N 2.8Å; N532-E534 VanDerWaalsContact O-N 3.17Å; N532-D535 WeakPolarHBondContact CB-OD2 3.36Å; N532-D535 PolarHBondContact ND2-OD2 2.82Å; N532-F536 PolarHBondContact O-N 2.8Å
533	P	80.4	Confident	81.7	Confident	67 Å²	67	60.9 Å²	60.9	44%	0.435	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-5.9	177.5	-20.9	32.9	0	0	0	116.3	F524 P527 Q537	F524-P533 HydrophobicContact CZ-CB 4.3Å; P527-P533 HydrophobicContact CG-CB 4.23Å; P527-P533 HydrophobicContact CG-CG 3.95Å; P533-Q537 WeakPolarHBondContact O-CG 3.28Å; P533-Q537 PolarHBondContact O-OE1 3.12Å
534	E	77.2	Confident	80.5	Confident	172 Å²	172	64.1 Å²	64.1	80%	0.804	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-49.1	176.6	-65	-176.8	-173.4	0	0	110.5	N532 F536 Q537	N532-E534 PolarHBondContact O-N 2.8Å; N532-E534 VanDerWaalsContact O-N 3.17Å; E534-F536 VanDerWaalsContact C-N 3.28Å; E534-F536 PolarHBondContact O-N 2.96Å; E534-Q537 WeakPolarHBondContact O-CB 3.34Å; E534-Q537 PolarHBondContact O-N 3.48Å
535	D	78.7	Confident	78.8	Confident	119 Å²	119	70.2 Å²	70.2	64%	0.636	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-59.7	-38	176.9	-57.6	-39.7	0	0	0	112.1	N532 Q537	N532-D535 WeakPolarHBondContact CB-OD2 3.36Å; N532-D535 PolarHBondContact ND2-OD2 2.82Å; D535-Q537 PolarHBondContact O-N 3.39Å
536	F	84.9	Confident	77	Confident	7 Å²	7	78.4 Å²	78.4	3%	0.031	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-71.3	-6.4	178.8	-168	-108.6	0	0	0	113.2	Q221 I224 W225 C525 H526 P527 I531 N532 E534	Q221-F536 HydrophobicContact CB-CE1 4.45Å; Q221-F536 HydrophobicContact CB-CE2 3.81Å; Q221-F536 HydrophobicContact CB-CZ 3.67Å; Q221-F536 HydrophobicContact CG-CD1 4.43Å; Q221-F536 HydrophobicContact CG-CD2 4.06Å; Q221-F536 HydrophobicContact CG-CE1 4.05Å; Q221-F536 HydrophobicContact CG-CE2 3.66Å; Q221-F536 HydrophobicContact CG-CG 4.43Å; Q221-F536 HydrophobicContact CG-CZ 3.64Å; Q221-F536 PolarHBondContact NE2-O 3.26Å; I224-F536 HydrophobicContact CB-CE2 4.19Å; I224-F536 HydrophobicContact CD1-CD2 3.97Å; I224-F536 HydrophobicContact CD1-CE2 4Å; I224-F536 HydrophobicContact CG2-CD2 4.45Å; I224-F536 HydrophobicContact CG2-CE2 3.85Å; W225-F536 AromaticContact CD1-CZ 3.83Å; W225-F536 AromaticContact NE1-CZ 3.54Å; C525-F536 HydrophobicContact CB-CE1 3.95Å; C525-F536 WeakPolarHBondContact O-CD1 3.1Å; H526-F536 WeakPolarHBondContact O-CE1 3.24Å; P527-F536 HydrophobicContact CB-CB 3.98Å; P527-F536 HydrophobicContact CB-CD1 3.81Å; P527-F536 HydrophobicContact CB-CD2 4.26Å; P527-F536 HydrophobicContact CB-CE1 4.34Å; P527-F536 HydrophobicContact CB-CG 3.78Å; I531-F536 HydrophobicContact CG2-CB 4.07Å; I531-F536 HydrophobicContact CG2-CD2 4.35Å; N532-F536 PolarHBondContact O-N 2.8Å; E534-F536 VanDerWaalsContact C-N 3.28Å; E534-F536 PolarHBondContact O-N 2.96Å
537	Q	84.3	Confident	75.1	Confident	7 Å²	7	79.6 Å²	79.6	3%	0.033	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-108.9	33.3	-169.3	-97.6	46.6	54.9	0	0	114	F524 C525 P533 E534 D535 Q539 H540	F524-Q537 HydrophobicContact CD2-CG 4.39Å; F524-Q537 HydrophobicContact CE2-CG 4.38Å; C525-Q537 PolarHBondContact O-NE2 3.09Å; C525-Q537 PolarHBondContact O-OE1 3.33Å; P533-Q537 WeakPolarHBondContact O-CG 3.28Å; P533-Q537 PolarHBondContact O-OE1 3.12Å; E534-Q537 WeakPolarHBondContact O-CB 3.34Å; E534-Q537 PolarHBondContact O-N 3.48Å; D535-Q537 PolarHBondContact O-N 3.39Å; Q537-Q539 PolarHBondContact O-N 2.77Å; Q537-H540 WeakPolarHBondContact O-CB 3.35Å; Q537-H540 PolarHBondContact O-N 3.33Å
538	S	76.6	Confident	73.3	Confident	52 Å²	52	83.4 Å²	83.4	36%	0.364	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-45.4	-29.3	-176.1	65.5	0	0	0	0	116.4	H540 S541	S538-H540 VanDerWaalsContact C-N 3.34Å; S538-H540 PolarHBondContact O-N 3.21Å; S538-S541 PolarHBondContact O-N 3.24Å; S538-S541 PolarHBondContact O-OG 3.13Å
539	Q	78.6	Confident	71.5	Confident	38 Å²	38	88 Å²	88	18%	0.178	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-63.8	-27.2	173.9	55.8	-177.6	-20	0	0	115.4	L523 Q537 S541 K542	L523-Q539 VanDerWaalsContact CD2-OE1 3.25Å; Q537-Q539 PolarHBondContact O-N 2.77Å; Q539-S541 VanDerWaalsContact C-N 3.3Å; Q539-S541 PolarHBondContact O-N 3.5Å; Q539-K542 WeakPolarHBondContact O-CB 3.37Å; Q539-K542 WeakPolarHBondContact O-CG 3.27Å; Q539-K542 PolarHBondContact O-N 3.07Å
540	H	81.8	Confident	70.2	Confident	17 Å²	17	86.3 Å²	86.3	8%	0.079	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-69.6	-27.4	179.4	-70.3	-174.9	0	0	0	112.2	V460 L523 Q537 S538 K542 F543	V460-H540 HydrophobicContact CG2-CB 3.74Å; L523-H540 PolarHBondContact O-NE2 2.98Å; Q537-H540 WeakPolarHBondContact O-CB 3.35Å; Q537-H540 PolarHBondContact O-N 3.33Å; S538-H540 VanDerWaalsContact C-N 3.34Å; S538-H540 PolarHBondContact O-N 3.21Å; H540-K542 PolarHBondContact O-N 3.16Å; H540-K542 VanDerWaalsContact O-N 3.17Å; H540-F543 PolarHBondContact O-N 3.31Å; H540-F543 VanDerWaalsContact O-N 3.12Å
541	S	74	Confident	68.7	Low	54 Å²	54	84.3 Å²	84.3	38%	0.378	42%	0.424	S	S	.	.	H	α-helix	trans	-63.6	-19.6	177.3	-43.7	0	0	0	0	113.3	S538 Q539 F543 Q544 K545	S538-S541 PolarHBondContact O-N 3.24Å; S538-S541 PolarHBondContact O-OG 3.13Å; Q539-S541 VanDerWaalsContact C-N 3.3Å; Q539-S541 PolarHBondContact O-N 3.5Å; S541-F543 PolarHBondContact O-N 3.34Å; S541-Q544 PolarHBondContact O-N 3.31Å; S541-K545 PolarHBondContact O-N 2.95Å
542	K	75.1	Confident	66.7	Low	151 Å²	151	85.9 Å²	85.9	66%	0.657	43%	0.433	S	S	*	.	H	α-helix	trans	-60.6	-28.5	173.5	-65.8	178.9	179.2	176.2	0	112.6	Q539 H540	Q539-K542 WeakPolarHBondContact O-CB 3.37Å; Q539-K542 WeakPolarHBondContact O-CG 3.27Å; Q539-K542 PolarHBondContact O-N 3.07Å; H540-K542 PolarHBondContact O-N 3.16Å; H540-K542 VanDerWaalsContact O-N 3.17Å
543	F	70.1	Confident	64.9	Low	48 Å²	48	86.3 Å²	86.3	21%	0.211	44%	0.439	C	S	.	.	H	α-helix	trans	-83.8	-33.6	179.6	-67.4	-79.8	0	0	0	112.4	V460 H540 S541 K545 R546	V460-F543 HydrophobicContact CB-CD2 4.34Å; V460-F543 HydrophobicContact CG1-CD2 4.05Å; V460-F543 HydrophobicContact CG1-CE2 4.01Å; V460-F543 HydrophobicContact CG2-CD2 4.08Å; H540-F543 PolarHBondContact O-N 3.31Å; H540-F543 VanDerWaalsContact O-N 3.12Å; S541-F543 PolarHBondContact O-N 3.34Å; F543-K545 PolarHBondContact O-N 3.35Å; F543-R546 PolarHBondContact O-N 3.12Å
544	Q	64.6	Low	63	Low	95 Å²	95	87.8 Å²	87.8	44%	0.444	45%	0.451	S	S	.	.	H	α-helix	trans	-62.7	-42.1	176.4	-64.6	175.9	-25.5	0	0	112.3	H459 S541 R546 E547 L548	H459-Q544 VanDerWaalsContact CD2-CG 3.44Å; H459-Q544 WeakPolarHBondContact CD2-CG 3.44Å; H459-Q544 VanDerWaalsContact NE2-CG 3.33Å; H459-Q544 WeakPolarHBondContact NE2-CG 3.45Å; S541-Q544 PolarHBondContact O-N 3.31Å; Q544-R546 PolarHBondContact O-N 2.91Å; Q544-E547 PolarHBondContact O-N 2.83Å; Q544-E547 VanDerWaalsContact O-N 3.09Å; Q544-L548 PolarHBondContact O-N 3.16Å
545	K	55.8	Low	61.4	Low	146 Å²	146	83.3 Å²	83.3	64%	0.635	44%	0.444	S	S	*	.	H	α-helix	trans	-58.7	-33.3	179	-69.6	-174.8	177.6	-177.2	0	112.5	S541 F543 L548 D549	S541-K545 PolarHBondContact O-N 2.95Å; F543-K545 PolarHBondContact O-N 3.35Å; K545-L548 PolarHBondContact O-N 3.48Å; K545-D549 WeakPolarHBondContact O-CB 3.46Å; K545-D549 VanDerWaalsContact O-CG 3.32Å; K545-D549 PolarHBondContact O-N 3.3Å
546	R	53.7	Low	59.6	Low	172 Å²	172	82.5 Å²	82.5	65%	0.649	44%	0.443	S	S	*	.	H	α-helix	trans	-69.1	-31.9	176.7	-71.7	-177.7	173.2	172.1	-0.8	113.8	F543 Q544 S550	F543-R546 PolarHBondContact O-N 3.12Å; Q544-R546 PolarHBondContact O-N 2.91Å; R546-S550 WeakPolarHBondContact O-CB 3.48Å; R546-S550 PolarHBondContact O-N 2.78Å
547	E	49.5	Very low	57	Low	78 Å²	78	88 Å²	88	36%	0.364	48%	0.477	S	S	.	.	H	α-helix	trans	-70.1	-45	172.8	-72.4	-163.4	115.5	0	0	110.8	R471 Q544 D549 S550 L551	R471-E547 IonicContact NH2-OE1 2.74Å; Q544-E547 PolarHBondContact O-N 2.83Å; Q544-E547 VanDerWaalsContact O-N 3.09Å; E547-D549 PolarHBondContact O-N 2.78Å; E547-S550 PolarHBondContact O-N 2.77Å; E547-S550 VanDerWaalsContact O-N 3.15Å; E547-S550 PolarHBondContact O-OG 3.21Å; E547-L551 WeakPolarHBondContact O-CG 3.4Å; E547-L551 PolarHBondContact O-N 2.78Å
548	L	50.8	Low	54.9	Low	101 Å²	101	96 Å²	96	53%	0.529	52%	0.52	S	S	.	.	H	α-helix	trans	-59	-42.7	174.3	-83.8	151.2	0	0	0	112.4	Q544 K545 L551 N552	Q544-L548 PolarHBondContact O-N 3.16Å; K545-L548 PolarHBondContact O-N 3.48Å; L548-L551 PolarHBondContact O-N 3.07Å; L548-N552 WeakPolarHBondContact O-CB 3.43Å; L548-N552 VanDerWaalsContact O-CG 3.22Å; L548-N552 PolarHBondContact O-N 2.88Å; L548-N552 PolarHBondContact O-ND2 2.86Å
549	D	48.7	Very low	52.8	Low	100 Å²	100	103.6 Å²	103.6	54%	0.535	54%	0.541	S	S	.	.	H	α-helix	trans	-65	-39	174.7	-72	-26.4	0	0	0	111.9	K545 E547 L551 N552 V553	K545-D549 WeakPolarHBondContact O-CB 3.46Å; K545-D549 VanDerWaalsContact O-CG 3.32Å; K545-D549 PolarHBondContact O-N 3.3Å; E547-D549 PolarHBondContact O-N 2.78Å; D549-L551 VanDerWaalsContact C-N 3.33Å; D549-L551 PolarHBondContact O-N 3Å; D549-N552 PolarHBondContact O-N 3.47Å; D549-V553 WeakPolarHBondContact O-CG2 3.18Å; D549-V553 PolarHBondContact O-N 3.4Å
550	S	48.7	Very low	50.7	Low	73 Å²	73	107.9 Å²	107.9	51%	0.51	57%	0.572	S	S	.	*	H	α-helix	trans	-66.3	-34.1	175.7	77	0	0	0	0	112.9	R546 E547	R546-S550 WeakPolarHBondContact O-CB 3.48Å; R546-S550 PolarHBondContact O-N 2.78Å; E547-S550 PolarHBondContact O-N 2.77Å; E547-S550 VanDerWaalsContact O-N 3.15Å; E547-S550 PolarHBondContact O-OG 3.21Å
551	L	46.4	Very low	48.4	Very low	110 Å²	110	115.7 Å²	115.7	58%	0.576	61%	0.609	S	S	*	*	H	α-helix	trans	-73.9	-36	173.8	-71.3	165	0	0	0	112	E547 L548 D549 S554 A555	E547-L551 WeakPolarHBondContact O-CG 3.4Å; E547-L551 PolarHBondContact O-N 2.78Å; L548-L551 PolarHBondContact O-N 3.07Å; D549-L551 VanDerWaalsContact C-N 3.33Å; D549-L551 PolarHBondContact O-N 3Å; L551-S554 WeakPolarHBondContact CA-OG 3.41Å; L551-S554 PolarHBondContact O-N 3.26Å; L551-S554 PolarHBondContact O-OG 2.66Å; L551-A555 PolarHBondContact O-N 3Å
552	N	39.3	Very low	46.5	Very low	91 Å²	91	122.7 Å²	122.7	49%	0.487	63%	0.632	S	S	.	*	H	α-helix	trans	-70.9	-30.7	175.9	-75.1	-31.4	0	0	0	112.6	L548 D549 S554 A555 V556	L548-N552 WeakPolarHBondContact O-CB 3.43Å; L548-N552 VanDerWaalsContact O-CG 3.22Å; L548-N552 PolarHBondContact O-N 2.88Å; L548-N552 PolarHBondContact O-ND2 2.86Å; D549-N552 PolarHBondContact O-N 3.47Å; N552-S554 PolarHBondContact O-N 3.04Å; N552-A555 PolarHBondContact O-N 3.47Å; N552-V556 PolarHBondContact O-N 2.8Å
553	V	43.8	Very low	44.7	Very low	115 Å²	115	123.2 Å²	123.2	70%	0.697	64%	0.641	S	S	*	*	H	α-helix	trans	-63.1	-30.9	169.8	169.1	0	0	0	0	111.7	D549 A555	D549-V553 WeakPolarHBondContact O-CG2 3.18Å; D549-V553 PolarHBondContact O-N 3.4Å; V553-A555 VanDerWaalsContact C-N 3.3Å; V553-A555 PolarHBondContact O-N 2.95Å
554	S	41.6	Very low	43.3	Very low	98 Å²	98	130.4 Å²	130.4	69%	0.685	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-12.3	170.1	33	0	0	0	0	114.8	L551 N552	L551-S554 WeakPolarHBondContact CA-OG 3.41Å; L551-S554 PolarHBondContact O-N 3.26Å; L551-S554 PolarHBondContact O-OG 2.66Å; N552-S554 PolarHBondContact O-N 3.04Å
555	A	41.8	Very low	42.1	Very low	78 Å²	78	136.2 Å²	136.2	65%	0.645	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-16.6	-178.9	0	0	0	0	0	114.2	L551 N552 V553	L551-A555 PolarHBondContact O-N 3Å; N552-A555 PolarHBondContact O-N 3.47Å; V553-A555 VanDerWaalsContact C-N 3.3Å; V553-A555 PolarHBondContact O-N 2.95Å
556	V	40.8	Very low	41.9	Very low	102 Å²	102	137 Å²	137	62%	0.618	70%	0.699	S	S	*	*	S	Bend	trans	-121.3	125.6	-175.8	-172	0	0	0	0	111.5	N552	N552-V556 PolarHBondContact O-N 2.8Å
557	T	32.1	Very low	41.4	Very low	121 Å²	121	134.2 Å²	134.2	74%	0.742	69%	0.694	S	S	*	*			trans	79.5	72.1	-176.6	71.7	0	0	0	0	117.8	R559	T557-R559 PolarHBondContact O-N 3.33Å
558	N	39.3	Very low	41.5	Very low	177 Å²	177	135.9 Å²	135.9	95%	0.947	71%	0.705	S	S	*	*			trans	-72	69.6	156.4	-156.4	-3.2	0	0	0	110.9
559	R	33	Very low	41.8	Very low	210 Å²	210	136.2 Å²	136.2	79%	0.792	71%	0.711	S	S	*	*	S	Bend	trans	-140.7	123.2	169.6	-78.1	-170.9	176.4	-178.6	0.5	109.2	T557 Q561	T557-R559 PolarHBondContact O-N 3.33Å; R559-Q561 PolarHBondContact O-N 2.96Å
560	P	34.2	Very low	42.3	Very low	129 Å²	129	136.8 Å²	136.8	84%	0.838	72%	0.718	S	S	*	*			trans	-73.6	91.5	-176.2	29.6	-34.9	0	0	0	111.6	K562	P560-K562 PolarHBondContact O-N 3.37Å
561	Q	34.1	Very low	42.4	Very low	181 Å²	181	137.4 Å²	137.4	85%	0.846	72%	0.715	S	S	*	*			trans	-71.6	116.7	166	-73.1	-164.1	-9.4	0	0	109.8	R559 I563	R559-Q561 PolarHBondContact O-N 2.96Å; Q561-I563 PolarHBondContact O-N 2.97Å
562	K	33.6	Very low	43.2	Very low	201 Å²	201	136.4 Å²	136.4	87%	0.874	71%	0.706	S	S	*	*			trans	-67.3	102.1	177.1	-68.1	178.5	179.1	177.4	0	110	P560 K564	P560-K562 PolarHBondContact O-N 3.37Å; K562-K564 PolarHBondContact O-N 3Å; K562-K564 VanDerWaalsContact O-N 3.15Å
563	I	37.1	Very low	44.3	Very low	162 Å²	162	137.2 Å²	137.2	83%	0.831	71%	0.71	S	S	*	*			trans	-58.6	117.6	165.6	-62	173.5	0	0	0	107.8	Q561 R565	Q561-I563 PolarHBondContact O-N 2.97Å; I563-R565 VanDerWaalsContact C-N 3.35Å; I563-R565 PolarHBondContact O-N 3.45Å
564	K	41.2	Very low	45.1	Very low	199 Å²	199	138.6 Å²	138.6	87%	0.865	71%	0.708	S	S	*	*			trans	-70.9	90.7	176.3	-73.9	-177.3	179.7	175.9	0	109.5	K562 I566	K562-K564 PolarHBondContact O-N 3Å; K562-K564 VanDerWaalsContact O-N 3.15Å; K564-I566 PolarHBondContact O-N 3.03Å
565	R	38.7	Very low	45.9	Very low	216 Å²	216	141.4 Å²	141.4	82%	0.815	71%	0.707	S	S	*	*			trans	-56.9	121.9	166.5	-166.8	178.4	-169.1	176.7	3.3	108.2	I563 E567	I563-R565 VanDerWaalsContact C-N 3.35Å; I563-R565 PolarHBondContact O-N 3.45Å; R565-E567 PolarHBondContact O-N 2.94Å
566	I	50.7	Low	46.9	Very low	163 Å²	163	144.6 Å²	144.6	84%	0.836	71%	0.709	S	S	*	*			trans	-72	96.9	171.7	-60.6	174.1	0	0	0	106.6	K564	K564-I566 PolarHBondContact O-N 3.03Å
567	E	43.1	Very low	47.4	Very low	114 Å²	114	146.2 Å²	146.2	53%	0.533	71%	0.71	S	S	.	*			trans	-80.5	117.7	178	-67	178.9	114.3	0	0	109.9	R565 V569 K572	R565-E567 PolarHBondContact O-N 2.94Å; E567-V569 PolarHBondContact O-N 3.33Å; E567-K572 WeakPolarHBondContact OE1-CE 3.32Å; E567-K572 IonicContact OE1-NZ 3.67Å; E567-K572 PolarHBondContact OE1-NZ 3.41Å; E567-K572 VanDerWaalsContact OE2-CE 3.3Å; E567-K572 WeakPolarHBondContact OE2-CE 3.37Å; E567-K572 IonicContact OE2-NZ 3.98Å; E567-K572 PolarHBondContact OE2-NZ 3.22Å
568	N	52.5	Low	48.3	Very low	112 Å²	112	148.2 Å²	148.2	60%	0.599	72%	0.716	S	S	*	*			trans	-65.1	123.4	170.3	-99.6	-25	0	0	0	109.7	V570 D571	N568-V570 PolarHBondContact O-N 3.1Å; N568-V570 VanDerWaalsContact O-N 3.12Å; N568-D571 PolarHBondContact O-N 3.25Å; N568-D571 VanDerWaalsContact O-N 3.11Å
569	V	56.3	Low	48.8	Very low	109 Å²	109	147.1 Å²	147.1	66%	0.661	71%	0.71	S	S	*	*	H	α-helix	trans	-59.7	-26.6	-178.4	-178	0	0	0	0	112.2	E567 N573	E567-V569 PolarHBondContact O-N 3.33Å; V569-N573 PolarHBondContact O-N 3.48Å
570	V	59	Low	49.2	Very low	111 Å²	111	142.3 Å²	142.3	67%	0.673	70%	0.704	S	S	*	*	H	α-helix	trans	-63.9	-42	177.4	-174.7	0	0	0	0	112	N568 N573 F574	N568-V570 PolarHBondContact O-N 3.1Å; N568-V570 VanDerWaalsContact O-N 3.12Å; V570-N573 PolarHBondContact O-N 2.9Å; V570-F574 PolarHBondContact O-N 3.36Å; V570-F574 VanDerWaalsContact O-N 3.11Å
571	D	52.6	Low	49.5	Very low	86 Å²	86	147.2 Å²	147.2	46%	0.46	71%	0.705	S	S	.	*	H	α-helix	trans	-69.1	-38.6	-176	-66.4	-42.8	0	0	0	111.4	N568 N573 F574 F575	N568-D571 PolarHBondContact O-N 3.25Å; N568-D571 VanDerWaalsContact O-N 3.11Å; D571-N573 VanDerWaalsContact C-N 3.34Å; D571-N573 PolarHBondContact O-N 2.93Å; D571-F574 PolarHBondContact O-N 2.74Å; D571-F575 VanDerWaalsContact O-CD2 3.28Å; D571-F575 WeakPolarHBondContact O-CD2 2.96Å; D571-F575 PolarHBondContact O-N 2.88Å
572	K	62.3	Low	49.9	Very low	90 Å²	90	142.3 Å²	142.3	39%	0.391	70%	0.696	S	S	.	*	H	α-helix	trans	-60.2	-43.9	173.6	-76.7	-170.5	176	176.2	0	112.1	E567 F574 F575 H576	E567-K572 WeakPolarHBondContact OE1-CE 3.32Å; E567-K572 IonicContact OE1-NZ 3.67Å; E567-K572 PolarHBondContact OE1-NZ 3.41Å; E567-K572 VanDerWaalsContact OE2-CE 3.3Å; E567-K572 WeakPolarHBondContact OE2-CE 3.37Å; E567-K572 IonicContact OE2-NZ 3.98Å; E567-K572 PolarHBondContact OE2-NZ 3.22Å; K572-F574 VanDerWaalsContact C-N 3.25Å; K572-F574 PolarHBondContact O-N 3.44Å; K572-F575 PolarHBondContact O-N 2.89Å; K572-H576 WeakPolarHBondContact O-CB 3.4Å; K572-H576 PolarHBondContact O-CD2 2.7Å; K572-H576 VanDerWaalsContact O-CD2 3.28Å; K572-H576 PolarHBondContact O-N 2.78Å; K572-H576 VanDerWaalsContact O-N 3.1Å
573	N	61.8	Low	50.1	Low	107 Å²	107	140.8 Å²	140.8	57%	0.572	70%	0.697	S	S	*	*	H	α-helix	trans	-69.1	-24.3	179.7	-70.7	-9.8	0	0	0	113	V569 V570 D571	V569-N573 PolarHBondContact O-N 3.48Å; V570-N573 PolarHBondContact O-N 2.9Å; D571-N573 VanDerWaalsContact C-N 3.34Å; D571-N573 PolarHBondContact O-N 2.93Å
574	F	60.4	Low	50.1	Low	145 Å²	145	138.9 Å²	138.9	64%	0.636	69%	0.693	S	S	*	*	H	α-helix	trans	-79	-40.6	176	-170.7	-98.8	0	0	0	112.6	V570 D571 K572	V570-F574 PolarHBondContact O-N 3.36Å; V570-F574 VanDerWaalsContact O-N 3.11Å; D571-F574 PolarHBondContact O-N 2.74Å; K572-F574 VanDerWaalsContact C-N 3.25Å; K572-F574 PolarHBondContact O-N 3.44Å
575	F	60.1	Low	49.8	Very low	156 Å²	156	139.1 Å²	139.1	68%	0.684	69%	0.694	S	S	*	*	H	α-helix	trans	-92.7	-7.5	-175.1	-69.2	-70.2	0	0	0	115.5	D571 K572	D571-F575 VanDerWaalsContact O-CD2 3.28Å; D571-F575 WeakPolarHBondContact O-CD2 2.96Å; D571-F575 PolarHBondContact O-N 2.88Å; K572-F575 PolarHBondContact O-N 2.89Å
576	H	61.3	Low	49.4	Very low	145 Å²	145	132 Å²	132	67%	0.671	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	17.5	178.2	-73	-66.3	0	0	0	115.4	K572 D578	K572-H576 WeakPolarHBondContact O-CB 3.4Å; K572-H576 PolarHBondContact O-CD2 2.7Å; K572-H576 VanDerWaalsContact O-CD2 3.28Å; K572-H576 PolarHBondContact O-N 2.78Å; K572-H576 VanDerWaalsContact O-N 3.1Å; H576-D578 PolarHBondContact O-N 3.31Å
577	Q	52.8	Low	48.6	Very low	136 Å²	136	131.1 Å²	131.1	64%	0.636	69%	0.69	S	S	*	*			trans	-84.7	106.5	170	-72.6	-168.9	-1.5	0	0	111.4	N579 V580	Q577-N579 PolarHBondContact O-N 2.7Å; Q577-V580 PolarHBondContact O-N 3.29Å
578	D	49.4	Very low	48	Very low	163 Å²	163	134.9 Å²	134.9	87%	0.872	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	14.5	179.3	-71.3	-38.1	0	0	0	115.7	H576	H576-D578 PolarHBondContact O-N 3.31Å
579	N	51.1	Low	46.9	Very low	155 Å²	155	135.7 Å²	135.7	83%	0.829	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.3	19.6	-179.4	-86.7	-54	0	0	0	114.4	Q577 R581	Q577-N579 PolarHBondContact O-N 2.7Å; N579-R581 VanDerWaalsContact C-N 3.33Å; N579-R581 PolarHBondContact O-N 2.73Å
580	V	41.4	Very low	45.6	Very low	109 Å²	109	137.6 Å²	137.6	66%	0.661	73%	0.725	S	S	*	*			trans	-75.4	86.4	167.4	-174.5	0	0	0	0	109.9	Q577 A582	Q577-V580 PolarHBondContact O-N 3.29Å; V580-A582 PolarHBondContact O-N 3.3Å
581	R	40.3	Very low	44.3	Very low	231 Å²	231	141.3 Å²	141.3	87%	0.872	74%	0.738	S	S	*	*			trans	-61.1	100.5	164.5	-88.8	-175.9	170.6	177.7	-2.2	109.4	N579 L583	N579-R581 VanDerWaalsContact C-N 3.33Å; N579-R581 PolarHBondContact O-N 2.73Å; R581-L583 PolarHBondContact O-N 2.86Å
582	A	42.3	Very low	43.2	Very low	79 Å²	79	141 Å²	141	65%	0.653	75%	0.754	S	S	*	*			trans	-62.7	103.6	169.7	0	0	0	0	0	110	V580 T584	V580-A582 PolarHBondContact O-N 3.3Å; A582-T584 PolarHBondContact O-N 2.85Å
583	L	37.1	Very low	41.6	Very low	168 Å²	168	147.9 Å²	147.9	88%	0.88	78%	0.779	S	S	*	*			trans	-77.6	67.9	169.9	-82.3	170.7	0	0	0	110.3	R581 K585	R581-L583 PolarHBondContact O-N 2.86Å; L583-K585 VanDerWaalsContact C-N 3.34Å; L583-K585 PolarHBondContact O-N 3.08Å
584	T	38.1	Very low	40.1	Very low	123 Å²	123	152.2 Å²	152.2	76%	0.755	79%	0.793	S	S	*	*			trans	-72.1	89	172	-29.5	0	0	0	0	108.9	A582 G586	A582-T584 PolarHBondContact O-N 2.85Å; T584-G586 PolarHBondContact O-N 2.94Å
585	K	34.9	Very low	39.2	Very low	203 Å²	203	151.4 Å²	151.4	88%	0.883	80%	0.803	S	S	*	*			trans	-70.5	76.3	165.7	-99.9	-169.8	174.3	-176.6	0	109.6	L583 V587	L583-K585 VanDerWaalsContact C-N 3.34Å; L583-K585 PolarHBondContact O-N 3.08Å; K585-V587 PolarHBondContact O-N 3.14Å
586	G	31	Very low	37.7	Very low	68 Å²	68	147.4 Å²	147.4	70%	0.701	81%	0.805	S	S	*	*			trans	-67.9	118.9	164	0	0	0	0	0	109.3	T584	T584-G586 PolarHBondContact O-N 2.94Å
587	V	33.6	Very low	36.3	Very low	144 Å²	144	148.7 Å²	148.7	87%	0.873	82%	0.817	S	S	*	*			trans	-84.4	112.2	167.6	177.3	0	0	0	0	107.8	K585	K585-V587 PolarHBondContact O-N 3.14Å
588	K	30.6	Very low	35.2	Very low	192 Å²	192	145.8 Å²	145.8	84%	0.835	82%	0.823	S	S	*	*			trans	-136.9	152.2	163.7	-95.5	-168.8	175.7	-178.7	0	110.8
589	T	28.9	Very low	35.3	Very low	129 Å²	129	143.9 Å²	143.9	79%	0.791	82%	0.82	S	S	*	*			trans	68.5	103.7	173.1	66.6	0	0	0	0	118.7
590	V	28.6	Very low	34.4	Very low	150 Å²	150	143.9 Å²	143.9	91%	0.909	83%	0.825	S	S	*	*				-131.3	140.1	106.1	177.7	0	0	0	0	108
591	M	31.4	Very low	33.8	Very low	189 Å²	189	142.1 Å²	142.1	93%	0.931	83%	0.829	S	S	*	*			trans	-70.9	156.9	176.3	-74.4	-179.6	168.4	0	0	112.3
592	G	30.1	Very low	34.4	Very low	78 Å²	78	137.8 Å²	137.8	80%	0.804	83%	0.831	S	S	*	*			trans	171.6	48	165.5	0	0	0	0	0	118.5
593	Y	27.9	Very low	33.7	Very low	235 Å²	235	137.4 Å²	137.4	92%	0.922	83%	0.834	S	S	*	*			trans	-83.4	115.1	165.8	-118.3	-87.3	0	0	0	110.3
594	K	30.4	Very low	33.4	Very low	199 Å²	199	134.8 Å²	134.8	87%	0.865	83%	0.83	S	S	*	*			trans	-142.5	140.5	150.8	-85.9	-164	176.3	-178.2	0	109.5
595	P	40.9	Very low	33.1	Very low	128 Å²	128	134.2 Å²	134.2	83%	0.831	83%	0.831	S	S	*	*			trans	-94.4	153.9	-173.2	36.7	-34.9	0	0	0	113.1
596	G	30.1	Very low	32.8	Very low	71 Å²	71	134 Å²	134	73%	0.732	83%	0.833	S	S	*	*			trans	132.7	129.2	154.7	0	0	0	0	0	117.3
597	N	30.7	Very low	33	Very low	173 Å²	173	136 Å²	136	93%	0.925	84%	0.836	S	S	*	*			trans	60	124.9	150.5	-64.3	1.1	0	0	0	122.4
598	G	30.6	Very low	32.8	Very low	74 Å²	74	138.9 Å²	138.9	76%	0.763	84%	0.84	S	S	*	*				112	125.4	128.3	0	0	0	0	0	116.9
599	P	52.3	Low	32.8	Very low	124 Å²	124	134.1 Å²	134.1	81%	0.805	84%	0.837	S	S	*	*			trans	-106	134.9	-179.8	36.8	-28.8	0	0	0	113.5
600	V	30.9	Very low	32.9	Very low	155 Å²	155	136.9 Å²	136.9	94%	0.939	84%	0.843	S	S	*	*			trans	-160.3	139.8	157	-116	0	0	0	0	114.1
601	G	29.9	Very low	33	Very low	72 Å²	72	138.7 Å²	138.7	74%	0.742	84%	0.841	S	S	*	*				103.2	119.7	127.3	0	0	0	0	0	118
602	P	52.6	Low	33.2	Very low	140 Å²	140	133 Å²	133	91%	0.909	83%	0.831	S	S	*	*			trans	-109.7	161.1	-178.8	39.8	-31.7	0	0	0	114.7
603	G	27.8	Very low	33.4	Very low	70 Å²	70	138.7 Å²	138.7	72%	0.722	83%	0.834	S	S	*	*			trans	149	148.4	169.2	0	0	0	0	0	109.5
604	S	29.3	Very low	34.1	Very low	114 Å²	114	132.1 Å²	132.1	80%	0.797	82%	0.82	S	S	*	*			cis	-178.7	145.4	-10.4	37.7	0	0	0	0	104.1
605	S	33.1	Very low	34.3	Very low	110 Å²	110	133.7 Å²	133.7	77%	0.769	82%	0.82	S	S	*	*			trans	-32	141.3	174.3	50.5	0	0	0	0	117.1
606	E	28.7	Very low	34	Very low	200 Å²	200	136.9 Å²	136.9	94%	0.935	82%	0.821	S	S	*	*				-157.1	165.8	120.1	-117.5	167.1	-157.6	0	0	113
607	S	34.1	Very low	34.4	Very low	108 Å²	108	143.1 Å²	143.1	76%	0.755	83%	0.828	S	S	*	*			trans	-118	137.1	-165.4	54.9	0	0	0	0	112.2
608	E	30.9	Very low	34.9	Very low	206 Å²	206	144 Å²	144	96%	0.963	83%	0.826	S	S	*	*			trans	-130.7	150.8	158.9	-84.9	-166.8	144.9	0	0	111.5
609	A	30.4	Very low	35.1	Very low	92 Å²	92	143.9 Å²	143.9	76%	0.76	83%	0.825	S	S	*	*			trans	-128	156.2	-168.9	0	0	0	0	0	111.9
610	M	30.3	Very low	34.4	Very low	186 Å²	186	145.8 Å²	145.8	92%	0.916	83%	0.829	S	S	*	*			trans	65.2	119.2	167.8	-70.5	-177.7	145.9	0	0	118
611	E	31.6	Very low	34.8	Very low	189 Å²	189	150 Å²	150	88%	0.883	83%	0.828	S	S	*	*				-150	134.8	98.9	-113	-172.5	-170.9	0	0	110.8
612	G	35.5	Very low	35.6	Very low	70 Å²	70	153.9 Å²	153.9	72%	0.722	83%	0.832	S	S	*	*			trans	-94	148.3	-178	0	0	0	0	0	112.4
613	K	33.9	Very low	35.3	Very low	197 Å²	197	156.8 Å²	156.8	86%	0.857	83%	0.83	S	S	*	*			trans	-127.3	150.3	162.2	-77.3	-175.8	179.5	169.9	0	112.2
614	P	42.5	Very low	36.3	Very low	97 Å²	97	163.8 Å²	163.8	63%	0.63	84%	0.841	S	S	*	*			trans	-97.3	-164.3	-154.8	0.4	21.8	0	0	0	113.2
615	W	33.8	Very low	37.1	Very low	231 Å²	231	165.7 Å²	165.7	88%	0.875	84%	0.837	S	S	*	*			trans	64.1	95.4	167.4	-28.2	85.9	0	0	0	114.6
616	K	36.1	Very low	37.8	Very low	196 Å²	196	169.9 Å²	169.9	85%	0.852	84%	0.841	S	S	*	*				-169.5	140.4	56.3	-87.7	177.4	172.1	176	0	110.3
617	K	37.9	Very low	38.5	Very low	202 Å²	202	167.2 Å²	167.2	88%	0.878	83%	0.833	S	S	*	*			trans	-75.7	133.6	163	-65.6	170.4	177.8	173	0	109.3
618	H	40.9	Very low	39.3	Very low	190 Å²	190	173.3 Å²	173.3	88%	0.88	84%	0.839	S	S	*	*			trans	-137.6	120.9	137.2	-100.2	-85	0	0	0	107.6
619	G	34.2	Very low	40.4	Very low	72 Å²	72	173.2 Å²	173.2	74%	0.742	83%	0.83	S	S	*	*			trans	-88.4	137	-174.5	0	0	0	0	0	111.7
620	N	38.6	Very low	41.5	Very low	164 Å²	164	174 Å²	174	88%	0.877	83%	0.825	S	S	*	*			trans	-144.3	54	155	-136	-11.3	0	0	0	110.8	N622	N620-N622 VanDerWaalsContact C-N 3.34Å; N620-N622 PolarHBondContact O-N 2.95Å
621	R	39.1	Very low	42.7	Very low	243 Å²	243	169.1 Å²	169.1	92%	0.917	81%	0.806	S	S	*	*			trans	-90.2	61.9	-176.1	-160.6	-179.3	86	168.6	5.5	112
622	N	46.3	Very low	43.7	Very low	155 Å²	155	169.2 Å²	169.2	83%	0.829	80%	0.803	S	S	*	*			trans	-131.6	58.3	174.8	-102.6	-10.3	0	0	0	112.4	N620	N620-N622 VanDerWaalsContact C-N 3.34Å; N620-N622 PolarHBondContact O-N 2.95Å
623	K	46.4	Very low	44.9	Very low	200 Å²	200	172.8 Å²	172.8	87%	0.87	80%	0.801	S	S	*	*	S	Bend	trans	-156	73.3	165.6	-125.7	177	-173.6	178.9	0	112.1
624	K	48.4	Very low	46.2	Very low	218 Å²	218	169.6 Å²	169.6	95%	0.948	79%	0.792	S	S	*	*			trans	169.3	69.7	152.3	-94.5	165.7	-177.1	-176.2	0	111.6
625	E	46.1	Very low	46.6	Very low	154 Å²	154	173 Å²	173	72%	0.72	81%	0.805	S	S	*	*			trans	-144.8	65.9	161.9	-159.5	-172.2	158.6	0	0	111.8	R629	E625-R629 IonicContact OE1-NE 2.68Å; E625-R629 IonicContact OE1-NH2 2.9Å
626	K	48.6	Very low	47.2	Very low	197 Å²	197	169.2 Å²	169.2	86%	0.857	84%	0.838	S	S	*	*	S	Bend	trans	-144	83.5	163.5	-85	-165.1	175.9	-177.4	0	109.8
627	L	43.3	Very low	47.7	Very low	145 Å²	145	167.9 Å²	167.9	76%	0.759	84%	0.837	S	S	*	*	S	Bend	trans	-163.1	-35.9	159.9	-109.7	144.4	0	0	0	112.3	R629	L627-R629 PolarHBondContact O-N 2.86Å
628	R	51.1	Low	48.2	Very low	235 Å²	235	166.1 Å²	166.1	89%	0.887	84%	0.835	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	5.2	177.5	-71.4	-171.3	175.3	-170.4	-2.2	116.5
629	R	53.7	Low	48.7	Very low	205 Å²	205	164.7 Å²	164.7	77%	0.774	83%	0.832	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	-10.7	171.9	-87.8	-170.1	-167	-171.3	3.8	114.6	E625 L627	E625-R629 IonicContact OE1-NE 2.68Å; E625-R629 IonicContact OE1-NH2 2.9Å; L627-R629 PolarHBondContact O-N 2.86Å
630	V	52.9	Low	49.5	Very low	108 Å²	108	170.2 Å²	170.2	66%	0.655	84%	0.838	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-35.6	-176.2	-178	0	0	0	0	111.6	K632 H633	V630-K632 PolarHBondContact O-N 2.94Å; V630-H633 PolarHBondContact O-CE1 2.83Å; V630-H633 PolarHBondContact O-ND1 3.41Å
631	T	55.5	Low	50.2	Low	83 Å²	83	170.6 Å²	170.6	51%	0.509	84%	0.835	S	S	.	*	S	Bend	trans	-91.1	10	-175.9	54.6	0	0	0	0	115.1	H633 L634	T631-H633 PolarHBondContact O-N 3.11Å; T631-L634 PolarHBondContact O-N 3.39Å
632	K	53	Low	50.9	Low	191 Å²	191	165.7 Å²	165.7	83%	0.83	83%	0.83	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	17.2	-176	-149.6	-159.8	174.8	-172.1	0	114.8	V630	V630-K632 PolarHBondContact O-N 2.94Å
633	H	59.7	Low	51.3	Low	146 Å²	146	166.5 Å²	166.5	68%	0.676	83%	0.83	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.4	15.6	-178.6	64.9	-93	0	0	0	112.8	V630 T631	V630-H633 PolarHBondContact O-CE1 2.83Å; V630-H633 PolarHBondContact O-ND1 3.41Å; T631-H633 PolarHBondContact O-N 3.11Å
634	L	60.9	Low	51.6	Low	129 Å²	129	163.9 Å²	163.9	68%	0.675	83%	0.827	S	S	*	*	S	Bend	trans	-123	-0.1	-179.4	-72.6	168.5	0	0	0	114.2	T631	T631-L634 PolarHBondContact O-N 3.39Å
635	D	52.6	Low	51.9	Low	169 Å²	169	159.4 Å²	159.4	90%	0.904	82%	0.817	S	S	*	*			trans	-108.2	70.1	171.5	-70.7	-36.2	0	0	0	109.5
636	G	45.3	Very low	52.4	Low	151 Å²	151	159.9 Å²	159.9	100%	1.557	83%	0.826	S	S	*	*			trans	-164.1	0	-179.8	0	0	0	0	0	112.6

Retrieved 636 of 636 residues in 438.3 ms (Link to these results)

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